----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:46:03]------------------------- 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: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.149162515000000 -7.512718010000000 0.000000000000000 b 2.149162515000000 7.512718010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.242340660000000 Atomic positions (fractional): *1 Se 0.67728321146067 0.32271678853933 0.07316191805120 78.960 *2 Se 0.93899603124599 0.06100396875401 0.37881754463902 78.960 3 Se 0.32271678853933 0.67728321146067 0.92683808194880 78.960 4 Se 0.32271678853933 0.67728321146067 0.57316191805120 78.960 5 Se 0.67728321146067 0.32271678853933 0.42683808194880 78.960 *6 Se 0.75924152961400 0.24075847038600 0.75000000000000 78.960 7 Se 0.24075847038600 0.75924152961400 0.25000000000000 78.960 8 Se 0.93899603124599 0.06100396875401 0.12118245536098 78.960 9 Se 0.06100396875401 0.93899603124599 0.87881754463902 78.960 10 Se 0.06100396875401 0.93899603124599 0.62118245536098 78.960 *11 Rb 0.43796753181880 0.56203246818120 0.75000000000000 85.468 12 Rb 0.56203246818120 0.43796753181880 0.25000000000000 85.468 *13 Ag 0.08814209723673 0.91185790276327 0.46691001326928 107.868 14 Ag 0.08814209723673 0.91185790276327 0.03308998673072 107.868 15 Ag 0.91185790276327 0.08814209723673 0.96691001326928 107.868 *16 Ag 0.16204286077296 0.83795713922704 0.75000000000000 107.868 17 Ag 0.83795713922704 0.16204286077296 0.25000000000000 107.868 18 Ag 0.91185790276327 0.08814209723673 0.53308998673072 107.868 *19 Sm 0.31027593608133 0.68972406391867 0.40516174638262 150.360 20 Sm 0.31027593608133 0.68972406391867 0.09483825361738 150.360 21 Sm 0.68972406391867 0.31027593608133 0.90516174638262 150.360 22 Sm 0.68972406391867 0.31027593608133 0.59483825361738 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.298325029999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.025436020000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.242340660000000 Atomic positions (fractional): *1 Se 0.00000000000000 0.32271678853933 0.07316191805120 78.960 > 1 *2 Se 0.00000000000000 0.06100396875401 0.37881754463902 78.960 > 2 3 Se 0.50000000000000 0.17728321146067 0.92683808194880 78.960 > 3 4 Se 0.50000000000000 0.17728321146067 0.57316191805120 78.960 > 4 5 Se 0.00000000000000 0.32271678853933 0.42683808194880 78.960 > 5 *6 Se 0.00000000000000 0.24075847038600 0.75000000000000 78.960 > 6 7 Se 0.50000000000000 0.25924152961400 0.25000000000000 78.960 > 7 8 Se 0.00000000000000 0.06100396875401 0.12118245536098 78.960 > 8 9 Se 0.50000000000000 0.43899603124599 0.87881754463902 78.960 > 9 10 Se 0.50000000000000 0.43899603124599 0.62118245536098 78.960 > 10 11 Se 0.50000000000000 0.82271678853933 0.07316191805120 78.960 > 1 12 Se 0.50000000000000 0.56100396875401 0.37881754463902 78.960 > 2 13 Se 0.00000000000000 0.67728321146067 0.92683808194880 78.960 > 3 14 Se 0.00000000000000 0.67728321146067 0.57316191805120 78.960 > 4 15 Se 0.50000000000000 0.82271678853933 0.42683808194880 78.960 > 5 16 Se 0.50000000000000 0.74075847038600 0.75000000000000 78.960 > 6 17 Se 0.00000000000000 0.75924152961400 0.25000000000000 78.960 > 7 18 Se 0.50000000000000 0.56100396875401 0.12118245536098 78.960 > 8 19 Se 0.00000000000000 0.93899603124599 0.87881754463902 78.960 > 9 20 Se 0.00000000000000 0.93899603124599 0.62118245536098 78.960 > 10 *21 Rb 0.50000000000000 0.06203246818120 0.75000000000000 85.468 > 11 22 Rb 0.00000000000000 0.43796753181880 0.25000000000000 85.468 > 12 23 Rb 0.00000000000000 0.56203246818120 0.75000000000000 85.468 > 11 24 Rb 0.50000000000000 0.93796753181880 0.25000000000000 85.468 > 12 *25 Ag 0.50000000000000 0.41185790276327 0.46691001326928 107.868 > 13 26 Ag 0.50000000000000 0.41185790276327 0.03308998673072 107.868 > 14 27 Ag 0.00000000000000 0.08814209723673 0.96691001326928 107.868 > 15 *28 Ag 0.50000000000000 0.33795713922704 0.75000000000000 107.868 > 16 29 Ag 0.00000000000000 0.16204286077296 0.25000000000000 107.868 > 17 30 Ag 0.00000000000000 0.08814209723673 0.53308998673072 107.868 > 18 31 Ag 0.00000000000000 0.91185790276327 0.46691001326928 107.868 > 13 32 Ag 0.00000000000000 0.91185790276327 0.03308998673072 107.868 > 14 33 Ag 0.50000000000000 0.58814209723673 0.96691001326928 107.868 > 15 34 Ag 0.00000000000000 0.83795713922704 0.75000000000000 107.868 > 16 35 Ag 0.50000000000000 0.66204286077296 0.25000000000000 107.868 > 17 36 Ag 0.50000000000000 0.58814209723673 0.53308998673072 107.868 > 18 *37 Sm 0.50000000000000 0.18972406391867 0.40516174638262 150.360 > 19 38 Sm 0.50000000000000 0.18972406391867 0.09483825361738 150.360 > 20 39 Sm 0.00000000000000 0.31027593608133 0.90516174638262 150.360 > 21 40 Sm 0.00000000000000 0.31027593608133 0.59483825361738 150.360 > 22 41 Sm 0.00000000000000 0.68972406391867 0.40516174638262 150.360 > 19 42 Sm 0.00000000000000 0.68972406391867 0.09483825361738 150.360 > 20 43 Sm 0.50000000000000 0.81027593608133 0.90516174638262 150.360 > 21 44 Sm 0.50000000000000 0.81027593608133 0.59483825361738 150.360 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.894975089999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.025436020000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.242340660000000 Atomic positions (fractional): *1 Se 0.00000000000000 0.32271678853933 0.07316191805120 78.960 > 1 2 Se 0.33333333333333 0.32271678853933 0.07316191805120 78.960 > 1 3 Se 0.66666666666667 0.32271678853933 0.07316191805120 78.960 > 1 *4 Se 0.00000000000000 0.06100396875401 0.37881754463902 78.960 > 2 5 Se 0.33333333333333 0.06100396875401 0.37881754463902 78.960 > 2 6 Se 0.66666666666667 0.06100396875401 0.37881754463902 78.960 > 2 7 Se 0.16666666666667 0.17728321146067 0.92683808194880 78.960 > 3 8 Se 0.50000000000000 0.17728321146067 0.92683808194880 78.960 > 3 9 Se 0.83333333333333 0.17728321146067 0.92683808194880 78.960 > 3 10 Se 0.16666666666667 0.17728321146067 0.57316191805120 78.960 > 4 11 Se 0.50000000000000 0.17728321146067 0.57316191805120 78.960 > 4 12 Se 0.83333333333333 0.17728321146067 0.57316191805120 78.960 > 4 13 Se 0.00000000000000 0.32271678853933 0.42683808194880 78.960 > 5 14 Se 0.33333333333333 0.32271678853933 0.42683808194880 78.960 > 5 15 Se 0.66666666666667 0.32271678853933 0.42683808194880 78.960 > 5 *16 Se 0.00000000000000 0.24075847038600 0.75000000000000 78.960 > 6 17 Se 0.33333333333333 0.24075847038600 0.75000000000000 78.960 > 6 18 Se 0.66666666666667 0.24075847038600 0.75000000000000 78.960 > 6 19 Se 0.16666666666667 0.25924152961400 0.25000000000000 78.960 > 7 20 Se 0.50000000000000 0.25924152961400 0.25000000000000 78.960 > 7 21 Se 0.83333333333333 0.25924152961400 0.25000000000000 78.960 > 7 22 Se 0.00000000000000 0.06100396875401 0.12118245536098 78.960 > 8 23 Se 0.33333333333333 0.06100396875401 0.12118245536098 78.960 > 8 24 Se 0.66666666666667 0.06100396875401 0.12118245536098 78.960 > 8 25 Se 0.16666666666667 0.43899603124599 0.87881754463902 78.960 > 9 26 Se 0.50000000000000 0.43899603124599 0.87881754463902 78.960 > 9 27 Se 0.83333333333333 0.43899603124599 0.87881754463902 78.960 > 9 28 Se 0.16666666666667 0.43899603124599 0.62118245536098 78.960 > 10 29 Se 0.50000000000000 0.43899603124599 0.62118245536098 78.960 > 10 30 Se 0.83333333333333 0.43899603124599 0.62118245536098 78.960 > 10 31 Se 0.16666666666667 0.82271678853933 0.07316191805120 78.960 > 1 32 Se 0.50000000000000 0.82271678853933 0.07316191805120 78.960 > 1 33 Se 0.83333333333333 0.82271678853933 0.07316191805120 78.960 > 1 34 Se 0.16666666666667 0.56100396875401 0.37881754463902 78.960 > 2 35 Se 0.50000000000000 0.56100396875401 0.37881754463902 78.960 > 2 36 Se 0.83333333333333 0.56100396875401 0.37881754463902 78.960 > 2 37 Se 0.00000000000000 0.67728321146067 0.92683808194880 78.960 > 3 38 Se 0.33333333333333 0.67728321146067 0.92683808194880 78.960 > 3 39 Se 0.66666666666667 0.67728321146067 0.92683808194880 78.960 > 3 40 Se 0.00000000000000 0.67728321146067 0.57316191805120 78.960 > 4 41 Se 0.33333333333333 0.67728321146067 0.57316191805120 78.960 > 4 42 Se 0.66666666666667 0.67728321146067 0.57316191805120 78.960 > 4 43 Se 0.16666666666667 0.82271678853933 0.42683808194880 78.960 > 5 44 Se 0.50000000000000 0.82271678853933 0.42683808194880 78.960 > 5 45 Se 0.83333333333333 0.82271678853933 0.42683808194880 78.960 > 5 46 Se 0.16666666666667 0.74075847038600 0.75000000000000 78.960 > 6 47 Se 0.50000000000000 0.74075847038600 0.75000000000000 78.960 > 6 48 Se 0.83333333333333 0.74075847038600 0.75000000000000 78.960 > 6 49 Se 0.00000000000000 0.75924152961400 0.25000000000000 78.960 > 7 50 Se 0.33333333333333 0.75924152961400 0.25000000000000 78.960 > 7 51 Se 0.66666666666667 0.75924152961400 0.25000000000000 78.960 > 7 52 Se 0.16666666666667 0.56100396875401 0.12118245536098 78.960 > 8 53 Se 0.50000000000000 0.56100396875401 0.12118245536098 78.960 > 8 54 Se 0.83333333333333 0.56100396875401 0.12118245536098 78.960 > 8 55 Se 0.00000000000000 0.93899603124599 0.87881754463902 78.960 > 9 56 Se 0.33333333333333 0.93899603124599 0.87881754463902 78.960 > 9 57 Se 0.66666666666667 0.93899603124599 0.87881754463902 78.960 > 9 58 Se 0.00000000000000 0.93899603124599 0.62118245536098 78.960 > 10 59 Se 0.33333333333333 0.93899603124599 0.62118245536098 78.960 > 10 60 Se 0.66666666666667 0.93899603124599 0.62118245536098 78.960 > 10 *61 Rb 0.16666666666667 0.06203246818120 0.75000000000000 85.468 > 11 62 Rb 0.50000000000000 0.06203246818120 0.75000000000000 85.468 > 11 63 Rb 0.83333333333333 0.06203246818120 0.75000000000000 85.468 > 11 64 Rb 0.00000000000000 0.43796753181880 0.25000000000000 85.468 > 12 65 Rb 0.33333333333333 0.43796753181880 0.25000000000000 85.468 > 12 66 Rb 0.66666666666667 0.43796753181880 0.25000000000000 85.468 > 12 67 Rb 0.00000000000000 0.56203246818120 0.75000000000000 85.468 > 11 68 Rb 0.33333333333333 0.56203246818120 0.75000000000000 85.468 > 11 69 Rb 0.66666666666667 0.56203246818120 0.75000000000000 85.468 > 11 70 Rb 0.16666666666667 0.93796753181880 0.25000000000000 85.468 > 12 71 Rb 0.50000000000000 0.93796753181880 0.25000000000000 85.468 > 12 72 Rb 0.83333333333333 0.93796753181880 0.25000000000000 85.468 > 12 *73 Ag 0.16666666666667 0.41185790276327 0.46691001326928 107.868 > 13 74 Ag 0.50000000000000 0.41185790276327 0.46691001326928 107.868 > 13 75 Ag 0.83333333333333 0.41185790276327 0.46691001326928 107.868 > 13 76 Ag 0.16666666666667 0.41185790276327 0.03308998673072 107.868 > 14 77 Ag 0.50000000000000 0.41185790276327 0.03308998673072 107.868 > 14 78 Ag 0.83333333333333 0.41185790276327 0.03308998673072 107.868 > 14 79 Ag 0.00000000000000 0.08814209723673 0.96691001326928 107.868 > 15 80 Ag 0.33333333333333 0.08814209723673 0.96691001326928 107.868 > 15 81 Ag 0.66666666666667 0.08814209723673 0.96691001326928 107.868 > 15 *82 Ag 0.16666666666667 0.33795713922704 0.75000000000000 107.868 > 16 83 Ag 0.50000000000000 0.33795713922704 0.75000000000000 107.868 > 16 84 Ag 0.83333333333333 0.33795713922704 0.75000000000000 107.868 > 16 85 Ag 0.00000000000000 0.16204286077296 0.25000000000000 107.868 > 17 86 Ag 0.33333333333333 0.16204286077296 0.25000000000000 107.868 > 17 87 Ag 0.66666666666667 0.16204286077296 0.25000000000000 107.868 > 17 88 Ag 0.00000000000000 0.08814209723673 0.53308998673072 107.868 > 18 89 Ag 0.33333333333333 0.08814209723673 0.53308998673072 107.868 > 18 90 Ag 0.66666666666667 0.08814209723673 0.53308998673072 107.868 > 18 91 Ag 0.00000000000000 0.91185790276327 0.46691001326928 107.868 > 13 92 Ag 0.33333333333333 0.91185790276327 0.46691001326928 107.868 > 13 93 Ag 0.66666666666667 0.91185790276327 0.46691001326928 107.868 > 13 94 Ag 0.00000000000000 0.91185790276327 0.03308998673072 107.868 > 14 95 Ag 0.33333333333333 0.91185790276327 0.03308998673072 107.868 > 14 96 Ag 0.66666666666667 0.91185790276327 0.03308998673072 107.868 > 14 97 Ag 0.16666666666667 0.58814209723673 0.96691001326928 107.868 > 15 98 Ag 0.50000000000000 0.58814209723673 0.96691001326928 107.868 > 15 99 Ag 0.83333333333333 0.58814209723673 0.96691001326928 107.868 > 15 100 Ag 0.00000000000000 0.83795713922704 0.75000000000000 107.868 > 16 101 Ag 0.33333333333333 0.83795713922704 0.75000000000000 107.868 > 16 102 Ag 0.66666666666667 0.83795713922704 0.75000000000000 107.868 > 16 103 Ag 0.16666666666667 0.66204286077296 0.25000000000000 107.868 > 17 104 Ag 0.50000000000000 0.66204286077296 0.25000000000000 107.868 > 17 105 Ag 0.83333333333333 0.66204286077296 0.25000000000000 107.868 > 17 106 Ag 0.16666666666667 0.58814209723673 0.53308998673072 107.868 > 18 107 Ag 0.50000000000000 0.58814209723673 0.53308998673072 107.868 > 18 108 Ag 0.83333333333333 0.58814209723673 0.53308998673072 107.868 > 18 *109 Sm 0.16666666666667 0.18972406391867 0.40516174638262 150.360 > 19 110 Sm 0.50000000000000 0.18972406391867 0.40516174638262 150.360 > 19 111 Sm 0.83333333333333 0.18972406391867 0.40516174638262 150.360 > 19 112 Sm 0.16666666666667 0.18972406391867 0.09483825361738 150.360 > 20 113 Sm 0.50000000000000 0.18972406391867 0.09483825361738 150.360 > 20 114 Sm 0.83333333333333 0.18972406391867 0.09483825361738 150.360 > 20 115 Sm 0.00000000000000 0.31027593608133 0.90516174638262 150.360 > 21 116 Sm 0.33333333333333 0.31027593608133 0.90516174638262 150.360 > 21 117 Sm 0.66666666666667 0.31027593608133 0.90516174638262 150.360 > 21 118 Sm 0.00000000000000 0.31027593608133 0.59483825361738 150.360 > 22 119 Sm 0.33333333333333 0.31027593608133 0.59483825361738 150.360 > 22 120 Sm 0.66666666666667 0.31027593608133 0.59483825361738 150.360 > 22 121 Sm 0.00000000000000 0.68972406391867 0.40516174638262 150.360 > 19 122 Sm 0.33333333333333 0.68972406391867 0.40516174638262 150.360 > 19 123 Sm 0.66666666666667 0.68972406391867 0.40516174638262 150.360 > 19 124 Sm 0.00000000000000 0.68972406391867 0.09483825361738 150.360 > 20 125 Sm 0.33333333333333 0.68972406391867 0.09483825361738 150.360 > 20 126 Sm 0.66666666666667 0.68972406391867 0.09483825361738 150.360 > 20 127 Sm 0.16666666666667 0.81027593608133 0.90516174638262 150.360 > 21 128 Sm 0.50000000000000 0.81027593608133 0.90516174638262 150.360 > 21 129 Sm 0.83333333333333 0.81027593608133 0.90516174638262 150.360 > 21 130 Sm 0.16666666666667 0.81027593608133 0.59483825361738 150.360 > 22 131 Sm 0.50000000000000 0.81027593608133 0.59483825361738 150.360 > 22 132 Sm 0.83333333333333 0.81027593608133 0.59483825361738 150.360 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4387353 0.0000000 0.0000000 0.0000000 8.0565114 0.0000000 0.0000000 0.0000000 9.7776911 -------------------------- Born effective charges -------------------------- 1 Se -3.4159825 0.0000000 0.0000000 0.0000000 -2.1314868 0.2491786 0.0000000 0.6042080 -2.2157061 2 Se -2.6546960 0.0000000 0.0000000 0.0000000 -2.4086266 -0.0060020 0.0000000 0.3070851 -2.3472991 3 Se -3.4159825 0.0000000 0.0000000 0.0000000 -2.1314868 0.2491786 0.0000000 0.6042080 -2.2157061 4 Se -3.4159825 0.0000000 0.0000000 0.0000000 -2.1314868 -0.2491786 0.0000000 -0.6042080 -2.2157061 5 Se -3.4159825 0.0000000 0.0000000 0.0000000 -2.1314868 -0.2491786 0.0000000 -0.6042080 -2.2157061 6 Se -1.8864294 0.0000000 0.0000000 0.0000000 -1.6478237 0.0000000 0.0000000 0.0000000 -4.1315738 7 Se -1.8864294 0.0000000 0.0000000 0.0000000 -1.6478237 0.0000000 0.0000000 0.0000000 -4.1315738 8 Se -2.6546960 0.0000000 0.0000000 0.0000000 -2.4086266 0.0060020 0.0000000 -0.3070851 -2.3472991 9 Se -2.6546960 0.0000000 0.0000000 0.0000000 -2.4086266 0.0060020 0.0000000 -0.3070851 -2.3472991 10 Se -2.6546960 0.0000000 0.0000000 0.0000000 -2.4086266 -0.0060020 0.0000000 0.3070851 -2.3472991 11 Rb 1.1517881 0.0000000 0.0000000 0.0000000 1.6391832 0.0000000 0.0000000 0.0000000 1.6119647 12 Rb 1.1517881 0.0000000 0.0000000 0.0000000 1.6391832 0.0000000 0.0000000 0.0000000 1.6119647 13 Ag 1.1554683 0.0000000 0.0000000 0.0000000 1.2928270 -0.3168268 0.0000000 -0.1598586 1.1209623 14 Ag 1.1554683 0.0000000 0.0000000 0.0000000 1.2928270 0.3168268 0.0000000 0.1598586 1.1209623 15 Ag 1.1554683 0.0000000 0.0000000 0.0000000 1.2928270 0.3168268 0.0000000 0.1598586 1.1209623 16 Ag 0.9205761 0.0000000 0.0000000 0.0000000 0.7171399 0.0000000 0.0000000 0.0000000 1.1393800 17 Ag 0.9205761 0.0000000 0.0000000 0.0000000 0.7171399 0.0000000 0.0000000 0.0000000 1.1393800 18 Ag 1.1554683 0.0000000 0.0000000 0.0000000 1.2928270 -0.3168268 0.0000000 -0.1598586 1.1209623 19 Sm 4.8222428 0.0000000 0.0000000 0.0000000 2.8930366 0.9054083 0.0000000 0.0529075 4.1321574 20 Sm 4.8222428 0.0000000 0.0000000 0.0000000 2.8930366 -0.9054083 0.0000000 -0.0529075 4.1321574 21 Sm 4.8222428 0.0000000 0.0000000 0.0000000 2.8930366 -0.9054083 0.0000000 -0.0529075 4.1321574 22 Sm 4.8222428 0.0000000 0.0000000 0.0000000 2.8930366 0.9054083 0.0000000 0.0529075 4.1321574 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 15339/15339 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1844 Number of blocks in projector: 1844 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1844, 1815), data: False |-- (224, 224), data: True |-- (260, 260), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 400 - Time: 3.484 Solver_block: 200 / 400 - Time: 3.422 Solver_block: 300 / 400 - Time: 3.424 Solver_block: 400 / 400 - Time: 3.483 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.923 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 396/396 Permutation basis: 15339/15339 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1844 Number of blocks in projector: 1844 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1844, 1815), data: False |-- (224, 224), data: True |-- (260, 260), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:46:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:46:42]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.149162515000000 -7.512718010000000 0.000000000000000 b 2.149162515000000 7.512718010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.242340660000000 Atomic positions (fractional): 1 Se 0.67728321146067 0.32271678853933 0.07316191805120 78.960 2 Se 0.93899603124599 0.06100396875401 0.37881754463902 78.960 3 Se 0.32271678853933 0.67728321146067 0.92683808194880 78.960 4 Se 0.32271678853933 0.67728321146067 0.57316191805120 78.960 5 Se 0.67728321146067 0.32271678853933 0.42683808194880 78.960 6 Se 0.75924152961400 0.24075847038600 0.75000000000000 78.960 7 Se 0.24075847038600 0.75924152961400 0.25000000000000 78.960 8 Se 0.93899603124599 0.06100396875401 0.12118245536098 78.960 9 Se 0.06100396875401 0.93899603124599 0.87881754463902 78.960 10 Se 0.06100396875401 0.93899603124599 0.62118245536098 78.960 11 Rb 0.43796753181880 0.56203246818120 0.75000000000000 85.468 12 Rb 0.56203246818120 0.43796753181880 0.25000000000000 85.468 13 Ag 0.08814209723673 0.91185790276327 0.46691001326928 107.868 14 Ag 0.08814209723673 0.91185790276327 0.03308998673072 107.868 15 Ag 0.91185790276327 0.08814209723673 0.96691001326928 107.868 16 Ag 0.16204286077296 0.83795713922704 0.75000000000000 107.868 17 Ag 0.83795713922704 0.16204286077296 0.25000000000000 107.868 18 Ag 0.91185790276327 0.08814209723673 0.53308998673072 107.868 19 Sm 0.31027593608133 0.68972406391867 0.40516174638262 150.360 20 Sm 0.31027593608133 0.68972406391867 0.09483825361738 150.360 21 Sm 0.68972406391867 0.31027593608133 0.90516174638262 150.360 22 Sm 0.68972406391867 0.31027593608133 0.59483825361738 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.894975089999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.025436020000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.242340660000000 Atomic positions (fractional): 1 Se 0.00000000000000 0.32271678853933 0.07316191805120 78.960 > 1 2 Se 0.33333333333333 0.32271678853933 0.07316191805120 78.960 > 1 3 Se 0.66666666666667 0.32271678853933 0.07316191805120 78.960 > 1 4 Se 0.00000000000000 0.06100396875401 0.37881754463902 78.960 > 4 5 Se 0.33333333333333 0.06100396875401 0.37881754463902 78.960 > 4 6 Se 0.66666666666667 0.06100396875401 0.37881754463902 78.960 > 4 7 Se 0.16666666666667 0.17728321146067 0.92683808194880 78.960 > 7 8 Se 0.50000000000000 0.17728321146067 0.92683808194880 78.960 > 7 9 Se 0.83333333333333 0.17728321146067 0.92683808194880 78.960 > 7 10 Se 0.16666666666667 0.17728321146067 0.57316191805120 78.960 > 10 11 Se 0.50000000000000 0.17728321146067 0.57316191805120 78.960 > 10 12 Se 0.83333333333333 0.17728321146067 0.57316191805120 78.960 > 10 13 Se 0.00000000000000 0.32271678853933 0.42683808194880 78.960 > 13 14 Se 0.33333333333333 0.32271678853933 0.42683808194880 78.960 > 13 15 Se 0.66666666666667 0.32271678853933 0.42683808194880 78.960 > 13 16 Se 0.00000000000000 0.24075847038600 0.75000000000000 78.960 > 16 17 Se 0.33333333333333 0.24075847038600 0.75000000000000 78.960 > 16 18 Se 0.66666666666667 0.24075847038600 0.75000000000000 78.960 > 16 19 Se 0.16666666666667 0.25924152961400 0.25000000000000 78.960 > 19 20 Se 0.50000000000000 0.25924152961400 0.25000000000000 78.960 > 19 21 Se 0.83333333333333 0.25924152961400 0.25000000000000 78.960 > 19 22 Se 0.00000000000000 0.06100396875401 0.12118245536098 78.960 > 22 23 Se 0.33333333333333 0.06100396875401 0.12118245536098 78.960 > 22 24 Se 0.66666666666667 0.06100396875401 0.12118245536098 78.960 > 22 25 Se 0.16666666666667 0.43899603124599 0.87881754463902 78.960 > 25 26 Se 0.50000000000000 0.43899603124599 0.87881754463902 78.960 > 25 27 Se 0.83333333333333 0.43899603124599 0.87881754463902 78.960 > 25 28 Se 0.16666666666667 0.43899603124599 0.62118245536098 78.960 > 28 29 Se 0.50000000000000 0.43899603124599 0.62118245536098 78.960 > 28 30 Se 0.83333333333333 0.43899603124599 0.62118245536098 78.960 > 28 31 Se 0.16666666666667 0.82271678853933 0.07316191805120 78.960 > 1 32 Se 0.50000000000000 0.82271678853933 0.07316191805120 78.960 > 1 33 Se 0.83333333333333 0.82271678853933 0.07316191805120 78.960 > 1 34 Se 0.16666666666667 0.56100396875401 0.37881754463902 78.960 > 4 35 Se 0.50000000000000 0.56100396875401 0.37881754463902 78.960 > 4 36 Se 0.83333333333333 0.56100396875401 0.37881754463902 78.960 > 4 37 Se 0.00000000000000 0.67728321146067 0.92683808194880 78.960 > 7 38 Se 0.33333333333333 0.67728321146067 0.92683808194880 78.960 > 7 39 Se 0.66666666666667 0.67728321146067 0.92683808194880 78.960 > 7 40 Se 0.00000000000000 0.67728321146067 0.57316191805120 78.960 > 10 41 Se 0.33333333333333 0.67728321146067 0.57316191805120 78.960 > 10 42 Se 0.66666666666667 0.67728321146067 0.57316191805120 78.960 > 10 43 Se 0.16666666666667 0.82271678853933 0.42683808194880 78.960 > 13 44 Se 0.50000000000000 0.82271678853933 0.42683808194880 78.960 > 13 45 Se 0.83333333333333 0.82271678853933 0.42683808194880 78.960 > 13 46 Se 0.16666666666667 0.74075847038600 0.75000000000000 78.960 > 16 47 Se 0.50000000000000 0.74075847038600 0.75000000000000 78.960 > 16 48 Se 0.83333333333333 0.74075847038600 0.75000000000000 78.960 > 16 49 Se 0.00000000000000 0.75924152961400 0.25000000000000 78.960 > 19 50 Se 0.33333333333333 0.75924152961400 0.25000000000000 78.960 > 19 51 Se 0.66666666666667 0.75924152961400 0.25000000000000 78.960 > 19 52 Se 0.16666666666667 0.56100396875401 0.12118245536098 78.960 > 22 53 Se 0.50000000000000 0.56100396875401 0.12118245536098 78.960 > 22 54 Se 0.83333333333333 0.56100396875401 0.12118245536098 78.960 > 22 55 Se 0.00000000000000 0.93899603124599 0.87881754463902 78.960 > 25 56 Se 0.33333333333333 0.93899603124599 0.87881754463902 78.960 > 25 57 Se 0.66666666666667 0.93899603124599 0.87881754463902 78.960 > 25 58 Se 0.00000000000000 0.93899603124599 0.62118245536098 78.960 > 28 59 Se 0.33333333333333 0.93899603124599 0.62118245536098 78.960 > 28 60 Se 0.66666666666667 0.93899603124599 0.62118245536098 78.960 > 28 61 Rb 0.16666666666667 0.06203246818120 0.75000000000000 85.468 > 61 62 Rb 0.50000000000000 0.06203246818120 0.75000000000000 85.468 > 61 63 Rb 0.83333333333333 0.06203246818120 0.75000000000000 85.468 > 61 64 Rb 0.00000000000000 0.43796753181880 0.25000000000000 85.468 > 64 65 Rb 0.33333333333333 0.43796753181880 0.25000000000000 85.468 > 64 66 Rb 0.66666666666667 0.43796753181880 0.25000000000000 85.468 > 64 67 Rb 0.00000000000000 0.56203246818120 0.75000000000000 85.468 > 61 68 Rb 0.33333333333333 0.56203246818120 0.75000000000000 85.468 > 61 69 Rb 0.66666666666667 0.56203246818120 0.75000000000000 85.468 > 61 70 Rb 0.16666666666667 0.93796753181880 0.25000000000000 85.468 > 64 71 Rb 0.50000000000000 0.93796753181880 0.25000000000000 85.468 > 64 72 Rb 0.83333333333333 0.93796753181880 0.25000000000000 85.468 > 64 73 Ag 0.16666666666667 0.41185790276327 0.46691001326928 107.868 > 73 74 Ag 0.50000000000000 0.41185790276327 0.46691001326928 107.868 > 73 75 Ag 0.83333333333333 0.41185790276327 0.46691001326928 107.868 > 73 76 Ag 0.16666666666667 0.41185790276327 0.03308998673072 107.868 > 76 77 Ag 0.50000000000000 0.41185790276327 0.03308998673072 107.868 > 76 78 Ag 0.83333333333333 0.41185790276327 0.03308998673072 107.868 > 76 79 Ag 0.00000000000000 0.08814209723673 0.96691001326928 107.868 > 79 80 Ag 0.33333333333333 0.08814209723673 0.96691001326928 107.868 > 79 81 Ag 0.66666666666667 0.08814209723673 0.96691001326928 107.868 > 79 82 Ag 0.16666666666667 0.33795713922704 0.75000000000000 107.868 > 82 83 Ag 0.50000000000000 0.33795713922704 0.75000000000000 107.868 > 82 84 Ag 0.83333333333333 0.33795713922704 0.75000000000000 107.868 > 82 85 Ag 0.00000000000000 0.16204286077296 0.25000000000000 107.868 > 85 86 Ag 0.33333333333333 0.16204286077296 0.25000000000000 107.868 > 85 87 Ag 0.66666666666667 0.16204286077296 0.25000000000000 107.868 > 85 88 Ag 0.00000000000000 0.08814209723673 0.53308998673072 107.868 > 88 89 Ag 0.33333333333333 0.08814209723673 0.53308998673072 107.868 > 88 90 Ag 0.66666666666667 0.08814209723673 0.53308998673072 107.868 > 88 91 Ag 0.00000000000000 0.91185790276327 0.46691001326928 107.868 > 73 92 Ag 0.33333333333333 0.91185790276327 0.46691001326928 107.868 > 73 93 Ag 0.66666666666667 0.91185790276327 0.46691001326928 107.868 > 73 94 Ag 0.00000000000000 0.91185790276327 0.03308998673072 107.868 > 76 95 Ag 0.33333333333333 0.91185790276327 0.03308998673072 107.868 > 76 96 Ag 0.66666666666667 0.91185790276327 0.03308998673072 107.868 > 76 97 Ag 0.16666666666667 0.58814209723673 0.96691001326928 107.868 > 79 98 Ag 0.50000000000000 0.58814209723673 0.96691001326928 107.868 > 79 99 Ag 0.83333333333333 0.58814209723673 0.96691001326928 107.868 > 79 100 Ag 0.00000000000000 0.83795713922704 0.75000000000000 107.868 > 82 101 Ag 0.33333333333333 0.83795713922704 0.75000000000000 107.868 > 82 102 Ag 0.66666666666667 0.83795713922704 0.75000000000000 107.868 > 82 103 Ag 0.16666666666667 0.66204286077296 0.25000000000000 107.868 > 85 104 Ag 0.50000000000000 0.66204286077296 0.25000000000000 107.868 > 85 105 Ag 0.83333333333333 0.66204286077296 0.25000000000000 107.868 > 85 106 Ag 0.16666666666667 0.58814209723673 0.53308998673072 107.868 > 88 107 Ag 0.50000000000000 0.58814209723673 0.53308998673072 107.868 > 88 108 Ag 0.83333333333333 0.58814209723673 0.53308998673072 107.868 > 88 109 Sm 0.16666666666667 0.18972406391867 0.40516174638262 150.360 > 109 110 Sm 0.50000000000000 0.18972406391867 0.40516174638262 150.360 > 109 111 Sm 0.83333333333333 0.18972406391867 0.40516174638262 150.360 > 109 112 Sm 0.16666666666667 0.18972406391867 0.09483825361738 150.360 > 112 113 Sm 0.50000000000000 0.18972406391867 0.09483825361738 150.360 > 112 114 Sm 0.83333333333333 0.18972406391867 0.09483825361738 150.360 > 112 115 Sm 0.00000000000000 0.31027593608133 0.90516174638262 150.360 > 115 116 Sm 0.33333333333333 0.31027593608133 0.90516174638262 150.360 > 115 117 Sm 0.66666666666667 0.31027593608133 0.90516174638262 150.360 > 115 118 Sm 0.00000000000000 0.31027593608133 0.59483825361738 150.360 > 118 119 Sm 0.33333333333333 0.31027593608133 0.59483825361738 150.360 > 118 120 Sm 0.66666666666667 0.31027593608133 0.59483825361738 150.360 > 118 121 Sm 0.00000000000000 0.68972406391867 0.40516174638262 150.360 > 109 122 Sm 0.33333333333333 0.68972406391867 0.40516174638262 150.360 > 109 123 Sm 0.66666666666667 0.68972406391867 0.40516174638262 150.360 > 109 124 Sm 0.00000000000000 0.68972406391867 0.09483825361738 150.360 > 112 125 Sm 0.33333333333333 0.68972406391867 0.09483825361738 150.360 > 112 126 Sm 0.66666666666667 0.68972406391867 0.09483825361738 150.360 > 112 127 Sm 0.16666666666667 0.81027593608133 0.90516174638262 150.360 > 115 128 Sm 0.50000000000000 0.81027593608133 0.90516174638262 150.360 > 115 129 Sm 0.83333333333333 0.81027593608133 0.90516174638262 150.360 > 115 130 Sm 0.16666666666667 0.81027593608133 0.59483825361738 150.360 > 118 131 Sm 0.50000000000000 0.81027593608133 0.59483825361738 150.360 > 118 132 Sm 0.83333333333333 0.81027593608133 0.59483825361738 150.360 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4387353 0.0000000 0.0000000 0.0000000 8.0565114 0.0000000 0.0000000 0.0000000 9.7776911 -------------------------- Born effective charges -------------------------- 1 Se -3.4159825 0.0000000 0.0000000 0.0000000 -2.1314868 0.2491786 0.0000000 0.6042080 -2.2157061 2 Se -2.6546960 0.0000000 0.0000000 0.0000000 -2.4086266 -0.0060020 0.0000000 0.3070851 -2.3472991 3 Se -3.4159825 0.0000000 0.0000000 0.0000000 -2.1314868 0.2491786 0.0000000 0.6042080 -2.2157061 4 Se -3.4159825 0.0000000 0.0000000 0.0000000 -2.1314868 -0.2491786 0.0000000 -0.6042080 -2.2157061 5 Se -3.4159825 0.0000000 0.0000000 0.0000000 -2.1314868 -0.2491786 0.0000000 -0.6042080 -2.2157061 6 Se -1.8864294 0.0000000 0.0000000 0.0000000 -1.6478237 0.0000000 0.0000000 0.0000000 -4.1315738 7 Se -1.8864294 0.0000000 0.0000000 0.0000000 -1.6478237 0.0000000 0.0000000 0.0000000 -4.1315738 8 Se -2.6546960 0.0000000 0.0000000 0.0000000 -2.4086266 0.0060020 0.0000000 -0.3070851 -2.3472991 9 Se -2.6546960 0.0000000 0.0000000 0.0000000 -2.4086266 0.0060020 0.0000000 -0.3070851 -2.3472991 10 Se -2.6546960 0.0000000 0.0000000 0.0000000 -2.4086266 -0.0060020 0.0000000 0.3070851 -2.3472991 11 Rb 1.1517881 0.0000000 0.0000000 0.0000000 1.6391832 0.0000000 0.0000000 0.0000000 1.6119647 12 Rb 1.1517881 0.0000000 0.0000000 0.0000000 1.6391832 0.0000000 0.0000000 0.0000000 1.6119647 13 Ag 1.1554683 0.0000000 0.0000000 0.0000000 1.2928270 -0.3168268 0.0000000 -0.1598586 1.1209623 14 Ag 1.1554683 0.0000000 0.0000000 0.0000000 1.2928270 0.3168268 0.0000000 0.1598586 1.1209623 15 Ag 1.1554683 0.0000000 0.0000000 0.0000000 1.2928270 0.3168268 0.0000000 0.1598586 1.1209623 16 Ag 0.9205761 0.0000000 0.0000000 0.0000000 0.7171399 0.0000000 0.0000000 0.0000000 1.1393800 17 Ag 0.9205761 0.0000000 0.0000000 0.0000000 0.7171399 0.0000000 0.0000000 0.0000000 1.1393800 18 Ag 1.1554683 0.0000000 0.0000000 0.0000000 1.2928270 -0.3168268 0.0000000 -0.1598586 1.1209623 19 Sm 4.8222428 0.0000000 0.0000000 0.0000000 2.8930366 0.9054083 0.0000000 0.0529075 4.1321574 20 Sm 4.8222428 0.0000000 0.0000000 0.0000000 2.8930366 -0.9054083 0.0000000 -0.0529075 4.1321574 21 Sm 4.8222428 0.0000000 0.0000000 0.0000000 2.8930366 -0.9054083 0.0000000 -0.0529075 4.1321574 22 Sm 4.8222428 0.0000000 0.0000000 0.0000000 2.8930366 0.9054083 0.0000000 0.0529075 4.1321574 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 16, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:47:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:47:10]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.149162515000000 -7.512718010000000 0.000000000000000 b 2.149162515000000 7.512718010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.242340660000000 Atomic positions (fractional): 1 Se 0.67728321146067 0.32271678853933 0.07316191805120 78.960 2 Se 0.93899603124599 0.06100396875401 0.37881754463902 78.960 3 Se 0.32271678853933 0.67728321146067 0.92683808194880 78.960 4 Se 0.32271678853933 0.67728321146067 0.57316191805120 78.960 5 Se 0.67728321146067 0.32271678853933 0.42683808194880 78.960 6 Se 0.75924152961400 0.24075847038600 0.75000000000000 78.960 7 Se 0.24075847038600 0.75924152961400 0.25000000000000 78.960 8 Se 0.93899603124599 0.06100396875401 0.12118245536098 78.960 9 Se 0.06100396875401 0.93899603124599 0.87881754463902 78.960 10 Se 0.06100396875401 0.93899603124599 0.62118245536098 78.960 11 Rb 0.43796753181880 0.56203246818120 0.75000000000000 85.468 12 Rb 0.56203246818120 0.43796753181880 0.25000000000000 85.468 13 Ag 0.08814209723673 0.91185790276327 0.46691001326928 107.868 14 Ag 0.08814209723673 0.91185790276327 0.03308998673072 107.868 15 Ag 0.91185790276327 0.08814209723673 0.96691001326928 107.868 16 Ag 0.16204286077296 0.83795713922704 0.75000000000000 107.868 17 Ag 0.83795713922704 0.16204286077296 0.25000000000000 107.868 18 Ag 0.91185790276327 0.08814209723673 0.53308998673072 107.868 19 Sm 0.31027593608133 0.68972406391867 0.40516174638262 150.360 20 Sm 0.31027593608133 0.68972406391867 0.09483825361738 150.360 21 Sm 0.68972406391867 0.31027593608133 0.90516174638262 150.360 22 Sm 0.68972406391867 0.31027593608133 0.59483825361738 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.894975089999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.025436020000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.242340660000000 Atomic positions (fractional): 1 Se 0.00000000000000 0.32271678853933 0.07316191805120 78.960 > 1 2 Se 0.33333333333333 0.32271678853933 0.07316191805120 78.960 > 1 3 Se 0.66666666666667 0.32271678853933 0.07316191805120 78.960 > 1 4 Se 0.00000000000000 0.06100396875401 0.37881754463902 78.960 > 4 5 Se 0.33333333333333 0.06100396875401 0.37881754463902 78.960 > 4 6 Se 0.66666666666667 0.06100396875401 0.37881754463902 78.960 > 4 7 Se 0.16666666666667 0.17728321146067 0.92683808194880 78.960 > 7 8 Se 0.50000000000000 0.17728321146067 0.92683808194880 78.960 > 7 9 Se 0.83333333333333 0.17728321146067 0.92683808194880 78.960 > 7 10 Se 0.16666666666667 0.17728321146067 0.57316191805120 78.960 > 10 11 Se 0.50000000000000 0.17728321146067 0.57316191805120 78.960 > 10 12 Se 0.83333333333333 0.17728321146067 0.57316191805120 78.960 > 10 13 Se 0.00000000000000 0.32271678853933 0.42683808194880 78.960 > 13 14 Se 0.33333333333333 0.32271678853933 0.42683808194880 78.960 > 13 15 Se 0.66666666666667 0.32271678853933 0.42683808194880 78.960 > 13 16 Se 0.00000000000000 0.24075847038600 0.75000000000000 78.960 > 16 17 Se 0.33333333333333 0.24075847038600 0.75000000000000 78.960 > 16 18 Se 0.66666666666667 0.24075847038600 0.75000000000000 78.960 > 16 19 Se 0.16666666666667 0.25924152961400 0.25000000000000 78.960 > 19 20 Se 0.50000000000000 0.25924152961400 0.25000000000000 78.960 > 19 21 Se 0.83333333333333 0.25924152961400 0.25000000000000 78.960 > 19 22 Se 0.00000000000000 0.06100396875401 0.12118245536098 78.960 > 22 23 Se 0.33333333333333 0.06100396875401 0.12118245536098 78.960 > 22 24 Se 0.66666666666667 0.06100396875401 0.12118245536098 78.960 > 22 25 Se 0.16666666666667 0.43899603124599 0.87881754463902 78.960 > 25 26 Se 0.50000000000000 0.43899603124599 0.87881754463902 78.960 > 25 27 Se 0.83333333333333 0.43899603124599 0.87881754463902 78.960 > 25 28 Se 0.16666666666667 0.43899603124599 0.62118245536098 78.960 > 28 29 Se 0.50000000000000 0.43899603124599 0.62118245536098 78.960 > 28 30 Se 0.83333333333333 0.43899603124599 0.62118245536098 78.960 > 28 31 Se 0.16666666666667 0.82271678853933 0.07316191805120 78.960 > 1 32 Se 0.50000000000000 0.82271678853933 0.07316191805120 78.960 > 1 33 Se 0.83333333333333 0.82271678853933 0.07316191805120 78.960 > 1 34 Se 0.16666666666667 0.56100396875401 0.37881754463902 78.960 > 4 35 Se 0.50000000000000 0.56100396875401 0.37881754463902 78.960 > 4 36 Se 0.83333333333333 0.56100396875401 0.37881754463902 78.960 > 4 37 Se 0.00000000000000 0.67728321146067 0.92683808194880 78.960 > 7 38 Se 0.33333333333333 0.67728321146067 0.92683808194880 78.960 > 7 39 Se 0.66666666666667 0.67728321146067 0.92683808194880 78.960 > 7 40 Se 0.00000000000000 0.67728321146067 0.57316191805120 78.960 > 10 41 Se 0.33333333333333 0.67728321146067 0.57316191805120 78.960 > 10 42 Se 0.66666666666667 0.67728321146067 0.57316191805120 78.960 > 10 43 Se 0.16666666666667 0.82271678853933 0.42683808194880 78.960 > 13 44 Se 0.50000000000000 0.82271678853933 0.42683808194880 78.960 > 13 45 Se 0.83333333333333 0.82271678853933 0.42683808194880 78.960 > 13 46 Se 0.16666666666667 0.74075847038600 0.75000000000000 78.960 > 16 47 Se 0.50000000000000 0.74075847038600 0.75000000000000 78.960 > 16 48 Se 0.83333333333333 0.74075847038600 0.75000000000000 78.960 > 16 49 Se 0.00000000000000 0.75924152961400 0.25000000000000 78.960 > 19 50 Se 0.33333333333333 0.75924152961400 0.25000000000000 78.960 > 19 51 Se 0.66666666666667 0.75924152961400 0.25000000000000 78.960 > 19 52 Se 0.16666666666667 0.56100396875401 0.12118245536098 78.960 > 22 53 Se 0.50000000000000 0.56100396875401 0.12118245536098 78.960 > 22 54 Se 0.83333333333333 0.56100396875401 0.12118245536098 78.960 > 22 55 Se 0.00000000000000 0.93899603124599 0.87881754463902 78.960 > 25 56 Se 0.33333333333333 0.93899603124599 0.87881754463902 78.960 > 25 57 Se 0.66666666666667 0.93899603124599 0.87881754463902 78.960 > 25 58 Se 0.00000000000000 0.93899603124599 0.62118245536098 78.960 > 28 59 Se 0.33333333333333 0.93899603124599 0.62118245536098 78.960 > 28 60 Se 0.66666666666667 0.93899603124599 0.62118245536098 78.960 > 28 61 Rb 0.16666666666667 0.06203246818120 0.75000000000000 85.468 > 61 62 Rb 0.50000000000000 0.06203246818120 0.75000000000000 85.468 > 61 63 Rb 0.83333333333333 0.06203246818120 0.75000000000000 85.468 > 61 64 Rb 0.00000000000000 0.43796753181880 0.25000000000000 85.468 > 64 65 Rb 0.33333333333333 0.43796753181880 0.25000000000000 85.468 > 64 66 Rb 0.66666666666667 0.43796753181880 0.25000000000000 85.468 > 64 67 Rb 0.00000000000000 0.56203246818120 0.75000000000000 85.468 > 61 68 Rb 0.33333333333333 0.56203246818120 0.75000000000000 85.468 > 61 69 Rb 0.66666666666667 0.56203246818120 0.75000000000000 85.468 > 61 70 Rb 0.16666666666667 0.93796753181880 0.25000000000000 85.468 > 64 71 Rb 0.50000000000000 0.93796753181880 0.25000000000000 85.468 > 64 72 Rb 0.83333333333333 0.93796753181880 0.25000000000000 85.468 > 64 73 Ag 0.16666666666667 0.41185790276327 0.46691001326928 107.868 > 73 74 Ag 0.50000000000000 0.41185790276327 0.46691001326928 107.868 > 73 75 Ag 0.83333333333333 0.41185790276327 0.46691001326928 107.868 > 73 76 Ag 0.16666666666667 0.41185790276327 0.03308998673072 107.868 > 76 77 Ag 0.50000000000000 0.41185790276327 0.03308998673072 107.868 > 76 78 Ag 0.83333333333333 0.41185790276327 0.03308998673072 107.868 > 76 79 Ag 0.00000000000000 0.08814209723673 0.96691001326928 107.868 > 79 80 Ag 0.33333333333333 0.08814209723673 0.96691001326928 107.868 > 79 81 Ag 0.66666666666667 0.08814209723673 0.96691001326928 107.868 > 79 82 Ag 0.16666666666667 0.33795713922704 0.75000000000000 107.868 > 82 83 Ag 0.50000000000000 0.33795713922704 0.75000000000000 107.868 > 82 84 Ag 0.83333333333333 0.33795713922704 0.75000000000000 107.868 > 82 85 Ag 0.00000000000000 0.16204286077296 0.25000000000000 107.868 > 85 86 Ag 0.33333333333333 0.16204286077296 0.25000000000000 107.868 > 85 87 Ag 0.66666666666667 0.16204286077296 0.25000000000000 107.868 > 85 88 Ag 0.00000000000000 0.08814209723673 0.53308998673072 107.868 > 88 89 Ag 0.33333333333333 0.08814209723673 0.53308998673072 107.868 > 88 90 Ag 0.66666666666667 0.08814209723673 0.53308998673072 107.868 > 88 91 Ag 0.00000000000000 0.91185790276327 0.46691001326928 107.868 > 73 92 Ag 0.33333333333333 0.91185790276327 0.46691001326928 107.868 > 73 93 Ag 0.66666666666667 0.91185790276327 0.46691001326928 107.868 > 73 94 Ag 0.00000000000000 0.91185790276327 0.03308998673072 107.868 > 76 95 Ag 0.33333333333333 0.91185790276327 0.03308998673072 107.868 > 76 96 Ag 0.66666666666667 0.91185790276327 0.03308998673072 107.868 > 76 97 Ag 0.16666666666667 0.58814209723673 0.96691001326928 107.868 > 79 98 Ag 0.50000000000000 0.58814209723673 0.96691001326928 107.868 > 79 99 Ag 0.83333333333333 0.58814209723673 0.96691001326928 107.868 > 79 100 Ag 0.00000000000000 0.83795713922704 0.75000000000000 107.868 > 82 101 Ag 0.33333333333333 0.83795713922704 0.75000000000000 107.868 > 82 102 Ag 0.66666666666667 0.83795713922704 0.75000000000000 107.868 > 82 103 Ag 0.16666666666667 0.66204286077296 0.25000000000000 107.868 > 85 104 Ag 0.50000000000000 0.66204286077296 0.25000000000000 107.868 > 85 105 Ag 0.83333333333333 0.66204286077296 0.25000000000000 107.868 > 85 106 Ag 0.16666666666667 0.58814209723673 0.53308998673072 107.868 > 88 107 Ag 0.50000000000000 0.58814209723673 0.53308998673072 107.868 > 88 108 Ag 0.83333333333333 0.58814209723673 0.53308998673072 107.868 > 88 109 Sm 0.16666666666667 0.18972406391867 0.40516174638262 150.360 > 109 110 Sm 0.50000000000000 0.18972406391867 0.40516174638262 150.360 > 109 111 Sm 0.83333333333333 0.18972406391867 0.40516174638262 150.360 > 109 112 Sm 0.16666666666667 0.18972406391867 0.09483825361738 150.360 > 112 113 Sm 0.50000000000000 0.18972406391867 0.09483825361738 150.360 > 112 114 Sm 0.83333333333333 0.18972406391867 0.09483825361738 150.360 > 112 115 Sm 0.00000000000000 0.31027593608133 0.90516174638262 150.360 > 115 116 Sm 0.33333333333333 0.31027593608133 0.90516174638262 150.360 > 115 117 Sm 0.66666666666667 0.31027593608133 0.90516174638262 150.360 > 115 118 Sm 0.00000000000000 0.31027593608133 0.59483825361738 150.360 > 118 119 Sm 0.33333333333333 0.31027593608133 0.59483825361738 150.360 > 118 120 Sm 0.66666666666667 0.31027593608133 0.59483825361738 150.360 > 118 121 Sm 0.00000000000000 0.68972406391867 0.40516174638262 150.360 > 109 122 Sm 0.33333333333333 0.68972406391867 0.40516174638262 150.360 > 109 123 Sm 0.66666666666667 0.68972406391867 0.40516174638262 150.360 > 109 124 Sm 0.00000000000000 0.68972406391867 0.09483825361738 150.360 > 112 125 Sm 0.33333333333333 0.68972406391867 0.09483825361738 150.360 > 112 126 Sm 0.66666666666667 0.68972406391867 0.09483825361738 150.360 > 112 127 Sm 0.16666666666667 0.81027593608133 0.90516174638262 150.360 > 115 128 Sm 0.50000000000000 0.81027593608133 0.90516174638262 150.360 > 115 129 Sm 0.83333333333333 0.81027593608133 0.90516174638262 150.360 > 115 130 Sm 0.16666666666667 0.81027593608133 0.59483825361738 150.360 > 118 131 Sm 0.50000000000000 0.81027593608133 0.59483825361738 150.360 > 118 132 Sm 0.83333333333333 0.81027593608133 0.59483825361738 150.360 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.4387353 0.0000000 0.0000000 0.0000000 8.0565114 0.0000000 0.0000000 0.0000000 9.7776911 -------------------------- Born effective charges -------------------------- 1 Se -3.4159825 0.0000000 0.0000000 0.0000000 -2.1314868 0.2491786 0.0000000 0.6042080 -2.2157061 2 Se -2.6546960 0.0000000 0.0000000 0.0000000 -2.4086266 -0.0060020 0.0000000 0.3070851 -2.3472991 3 Se -3.4159825 0.0000000 0.0000000 0.0000000 -2.1314868 0.2491786 0.0000000 0.6042080 -2.2157061 4 Se -3.4159825 0.0000000 0.0000000 0.0000000 -2.1314868 -0.2491786 0.0000000 -0.6042080 -2.2157061 5 Se -3.4159825 0.0000000 0.0000000 0.0000000 -2.1314868 -0.2491786 0.0000000 -0.6042080 -2.2157061 6 Se -1.8864294 0.0000000 0.0000000 0.0000000 -1.6478237 0.0000000 0.0000000 0.0000000 -4.1315738 7 Se -1.8864294 0.0000000 0.0000000 0.0000000 -1.6478237 0.0000000 0.0000000 0.0000000 -4.1315738 8 Se -2.6546960 0.0000000 0.0000000 0.0000000 -2.4086266 0.0060020 0.0000000 -0.3070851 -2.3472991 9 Se -2.6546960 0.0000000 0.0000000 0.0000000 -2.4086266 0.0060020 0.0000000 -0.3070851 -2.3472991 10 Se -2.6546960 0.0000000 0.0000000 0.0000000 -2.4086266 -0.0060020 0.0000000 0.3070851 -2.3472991 11 Rb 1.1517881 0.0000000 0.0000000 0.0000000 1.6391832 0.0000000 0.0000000 0.0000000 1.6119647 12 Rb 1.1517881 0.0000000 0.0000000 0.0000000 1.6391832 0.0000000 0.0000000 0.0000000 1.6119647 13 Ag 1.1554683 0.0000000 0.0000000 0.0000000 1.2928270 -0.3168268 0.0000000 -0.1598586 1.1209623 14 Ag 1.1554683 0.0000000 0.0000000 0.0000000 1.2928270 0.3168268 0.0000000 0.1598586 1.1209623 15 Ag 1.1554683 0.0000000 0.0000000 0.0000000 1.2928270 0.3168268 0.0000000 0.1598586 1.1209623 16 Ag 0.9205761 0.0000000 0.0000000 0.0000000 0.7171399 0.0000000 0.0000000 0.0000000 1.1393800 17 Ag 0.9205761 0.0000000 0.0000000 0.0000000 0.7171399 0.0000000 0.0000000 0.0000000 1.1393800 18 Ag 1.1554683 0.0000000 0.0000000 0.0000000 1.2928270 -0.3168268 0.0000000 -0.1598586 1.1209623 19 Sm 4.8222428 0.0000000 0.0000000 0.0000000 2.8930366 0.9054083 0.0000000 0.0529075 4.1321574 20 Sm 4.8222428 0.0000000 0.0000000 0.0000000 2.8930366 -0.9054083 0.0000000 -0.0529075 4.1321574 21 Sm 4.8222428 0.0000000 0.0000000 0.0000000 2.8930366 -0.9054083 0.0000000 -0.0529075 4.1321574 22 Sm 4.8222428 0.0000000 0.0000000 0.0000000 2.8930366 0.9054083 0.0000000 0.0529075 4.1321574 ---------------------------------------------------------------------------- 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 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 12 12 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 293, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/86) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.850 ( 0.000 0.000 0.000) 0.000 0.860 ( 0.000 0.000 0.000) 0.000 1.146 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.279 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/86) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 14.220 -7.148 0.000) 15.916 0.372 ( 17.512 -4.536 0.000) 18.090 0.709 ( 33.627 -6.019 0.000) 34.162 0.881 ( 2.767 -2.608 0.000) 3.802 1.033 ( 15.218 -0.265 0.000) 15.220 1.036 ( -4.572 -0.429 0.000) 4.592 1.218 ( 3.779 2.278 0.000) 4.412 1.495 ( 13.496 -3.143 0.000) 13.857 1.542 ( 2.007 0.654 0.000) 2.111 1.596 ( -0.394 1.482 0.000) 1.533 1.655 ( 5.542 -0.197 0.000) 5.546 1.748 ( 5.078 1.224 0.000) 5.223 1.781 ( -0.374 2.230 0.000) 2.261 1.805 ( 1.907 0.260 0.000) 1.924 1.808 ( -0.744 -1.972 0.000) 2.108 1.883 ( 1.144 0.805 0.000) 1.399 1.894 ( 0.120 -0.500 0.000) 0.514 1.945 ( -1.100 -0.024 0.000) 1.100 1.964 ( -0.092 -1.481 0.000) 1.484 2.018 ( 1.943 -0.507 0.000) 2.008 2.033 ( 2.477 -1.057 0.000) 2.693 2.120 ( 1.739 2.821 0.000) 3.314 2.126 ( -2.979 0.045 0.000) 2.980 2.153 ( 1.654 -2.499 0.000) 2.996 2.243 ( 0.308 0.381 0.000) 0.490 2.304 ( 4.444 0.067 0.000) 4.445 2.346 ( 1.020 -1.090 0.000) 1.493 2.467 ( 5.236 6.086 0.000) 8.028 2.487 ( -0.646 1.415 0.000) 1.555 2.565 ( 0.530 -8.445 0.000) 8.461 2.623 ( 0.283 -2.325 0.000) 2.343 2.828 ( 3.191 0.511 0.000) 3.231 2.829 ( 2.878 0.357 0.000) 2.900 2.845 ( 0.440 0.018 0.000) 0.440 3.083 ( -2.850 -0.040 0.000) 2.850 3.104 ( -1.572 -0.366 0.000) 1.614 3.557 ( 3.895 -0.370 0.000) 3.913 3.576 ( 2.282 -0.397 0.000) 2.316 3.616 ( 7.110 -0.275 0.000) 7.115 3.997 ( 2.578 2.480 0.000) 3.577 4.000 ( -2.185 0.294 0.000) 2.204 4.094 ( -3.031 2.365 0.000) 3.844 4.189 ( 0.020 1.688 0.000) 1.688 4.242 ( 5.074 8.135 0.000) 9.588 4.281 ( 1.992 -1.875 0.000) 2.735 4.467 ( -0.211 -0.226 0.000) 0.309 4.571 ( -0.568 0.273 0.000) 0.630 4.686 ( -0.409 -0.213 0.000) 0.461 4.700 ( -2.876 -4.865 0.000) 5.652 4.712 ( 1.453 1.255 0.000) 1.920 4.719 ( -2.476 0.274 0.000) 2.491 4.783 ( -2.451 -3.182 0.000) 4.017 4.877 ( -1.077 0.580 0.000) 1.223 4.923 ( -2.351 0.177 0.000) 2.357 4.981 ( -2.110 -1.183 0.000) 2.419 5.056 ( -3.136 -0.496 0.000) 3.175 5.084 ( -1.377 -0.058 0.000) 1.378 5.179 ( -0.321 -0.258 0.000) 0.412 5.234 ( 1.752 -0.072 0.000) 1.753 5.305 ( 0.879 0.583 0.000) 1.055 5.309 ( 1.698 -0.196 0.000) 1.709 5.342 ( 0.936 -0.924 0.000) 1.315 5.438 ( 2.158 -0.336 0.000) 2.184 5.485 ( 2.251 0.056 0.000) 2.252 5.691 ( 2.725 0.771 0.000) 2.832 5.792 ( 1.930 5.695 0.000) 6.013 ======================= Grid point 2 (3/86) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 15.784 -3.370 0.000) 16.139 0.720 ( 15.577 -4.077 0.000) 16.102 0.996 ( 7.594 -2.732 0.000) 8.071 1.015 ( 1.262 -2.485 0.000) 2.787 1.283 ( 11.591 0.024 0.000) 11.591 1.342 ( 14.638 1.342 0.000) 14.699 1.358 ( 21.720 1.232 0.000) 21.755 1.564 ( 0.919 0.968 0.000) 1.334 1.588 ( 0.927 2.437 0.000) 2.607 1.711 ( 5.144 0.515 0.000) 5.169 1.730 ( -0.482 -2.482 0.000) 2.528 1.770 ( 0.136 2.719 0.000) 2.722 1.809 ( 1.069 -1.069 0.000) 1.512 1.838 ( 3.008 0.735 0.000) 3.097 1.876 ( 4.066 -2.590 0.000) 4.821 1.923 ( 6.108 -0.783 0.000) 6.158 1.935 ( 4.703 1.013 0.000) 4.810 1.946 ( 0.966 0.081 0.000) 0.969 1.993 ( 1.869 -2.619 0.000) 3.218 2.053 ( 0.598 0.742 0.000) 0.953 2.086 ( 0.241 -0.977 0.000) 1.007 2.150 ( 8.167 -1.180 0.000) 8.252 2.154 ( 4.644 3.482 0.000) 5.804 2.239 ( 4.833 -2.596 0.000) 5.486 2.259 ( 1.675 -1.406 0.000) 2.187 2.375 ( 3.136 -0.526 0.000) 3.179 2.395 ( 3.876 -1.024 0.000) 4.009 2.483 ( 0.737 3.293 0.000) 3.374 2.496 ( 3.229 3.343 0.000) 4.648 2.647 ( 0.346 -3.489 0.000) 3.507 2.676 ( 4.625 -4.413 0.000) 6.393 2.849 ( 0.341 0.955 0.000) 1.014 2.881 ( 1.914 2.197 0.000) 2.913 2.889 ( 2.996 0.673 0.000) 3.071 3.012 ( -4.312 -1.746 0.000) 4.652 3.066 ( -2.461 -0.543 0.000) 2.520 3.635 ( 3.265 -1.000 0.000) 3.415 3.640 ( 3.719 -0.793 0.000) 3.803 3.753 ( 5.556 -0.185 0.000) 5.559 3.951 ( -2.341 -0.179 0.000) 2.348 3.998 ( -1.683 2.384 0.000) 2.918 4.063 ( 0.459 -1.079 0.000) 1.172 4.190 ( 1.388 1.433 0.000) 1.995 4.283 ( 2.939 4.830 0.000) 5.654 4.345 ( 3.457 -1.361 0.000) 3.715 4.468 ( -0.627 -0.846 0.000) 1.053 4.552 ( -1.181 0.505 0.000) 1.285 4.662 ( -3.079 -3.773 0.000) 4.870 4.663 ( -1.778 1.193 0.000) 2.142 4.680 ( -0.502 -0.296 0.000) 0.582 4.730 ( 0.882 2.425 0.000) 2.581 4.772 ( 1.088 -0.613 0.000) 1.249 4.850 ( -1.194 0.581 0.000) 1.327 4.868 ( -3.137 -0.415 0.000) 3.164 4.925 ( -3.101 -0.253 0.000) 3.111 5.011 ( -2.064 -1.151 0.000) 2.363 5.048 ( -2.169 -0.003 0.000) 2.169 5.167 ( -1.172 -0.435 0.000) 1.250 5.263 ( 0.449 0.015 0.000) 0.449 5.318 ( 1.756 0.609 0.000) 1.858 5.350 ( -0.729 -0.738 0.000) 1.038 5.369 ( 3.365 -0.189 0.000) 3.370 5.505 ( 4.546 -0.092 0.000) 4.547 5.534 ( 2.883 0.547 0.000) 2.934 5.752 ( 3.684 1.489 0.000) 3.973 5.797 ( 1.341 4.012 0.000) 4.230 ======================= Grid point 3 (4/86) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 12.760 -0.374 0.000) 12.766 1.008 ( 11.893 -3.009 0.000) 12.268 1.100 ( 6.132 -2.536 0.000) 6.635 1.193 ( 11.015 -0.945 0.000) 11.056 1.419 ( 6.737 3.673 0.000) 7.673 1.547 ( 7.916 2.617 0.000) 8.337 1.576 ( 1.471 -0.230 0.000) 1.489 1.605 ( 2.282 2.808 0.000) 3.618 1.648 ( 5.862 6.565 0.000) 8.801 1.715 ( -1.673 -2.841 0.000) 3.297 1.725 ( -0.258 2.993 0.000) 3.004 1.742 ( -1.268 1.465 0.000) 1.938 1.820 ( -1.019 -1.107 0.000) 1.505 1.857 ( -0.084 0.364 0.000) 0.373 1.958 ( 0.042 0.365 0.000) 0.367 1.971 ( 1.769 -0.827 0.000) 1.953 2.026 ( 2.561 1.448 0.000) 2.942 2.044 ( 1.707 -2.042 0.000) 2.661 2.061 ( 5.589 -1.032 0.000) 5.683 2.128 ( 4.225 -2.930 0.000) 5.141 2.167 ( 11.082 -4.137 0.000) 11.829 2.229 ( 1.164 0.854 0.000) 1.443 2.265 ( 4.799 0.280 0.000) 4.807 2.333 ( 5.323 0.672 0.000) 5.365 2.345 ( 3.440 -2.648 0.000) 4.341 2.440 ( 1.012 -0.573 0.000) 1.163 2.486 ( 2.118 -2.223 0.000) 3.070 2.572 ( 12.603 2.249 0.000) 12.803 2.617 ( 8.493 2.495 0.000) 8.852 2.665 ( 3.628 -1.451 0.000) 3.907 2.707 ( -2.557 -1.345 0.000) 2.889 2.836 ( -0.772 1.628 0.000) 1.802 2.887 ( -1.406 -0.221 0.000) 1.423 2.924 ( 0.656 0.898 0.000) 1.112 2.970 ( 0.693 -1.447 0.000) 1.604 3.034 ( -0.161 -1.263 0.000) 1.273 3.705 ( 2.563 -1.719 0.000) 3.086 3.709 ( 3.530 -1.608 0.000) 3.878 3.810 ( 0.459 -0.165 0.000) 0.488 3.918 ( -1.305 -0.222 0.000) 1.324 3.947 ( -2.538 0.372 0.000) 2.565 4.070 ( -0.385 0.071 0.000) 0.391 4.228 ( 2.195 0.623 0.000) 2.282 4.299 ( 0.189 2.014 0.000) 2.023 4.405 ( -0.701 0.654 0.000) 0.959 4.442 ( 1.233 -0.419 0.000) 1.302 4.523 ( -0.910 1.334 0.000) 1.615 4.641 ( -0.432 -1.392 0.000) 1.458 4.668 ( 2.573 0.650 0.000) 2.654 4.679 ( 0.535 -0.253 0.000) 0.592 4.729 ( 0.517 0.976 0.000) 1.104 4.809 ( 1.101 1.314 0.000) 1.714 4.830 ( -0.493 0.216 0.000) 0.539 4.836 ( 1.304 0.187 0.000) 1.317 4.888 ( -1.114 -1.240 0.000) 1.667 4.984 ( -1.120 -0.351 0.000) 1.174 5.005 ( -2.138 -0.080 0.000) 2.139 5.138 ( -1.922 0.017 0.000) 1.922 5.251 ( -1.040 0.989 0.000) 1.435 5.327 ( -1.500 0.618 0.000) 1.622 5.356 ( 1.971 0.354 0.000) 2.002 5.423 ( 1.810 -0.171 0.000) 1.819 5.590 ( 3.227 0.832 0.000) 3.333 5.603 ( 5.085 -0.173 0.000) 5.088 5.796 ( 0.617 3.624 0.000) 3.677 5.802 ( 2.286 2.103 0.000) 3.106 ======================= Grid point 4 (5/86) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 4.424 -1.472 0.000) 4.662 1.214 ( 8.205 -1.301 0.000) 8.307 1.280 ( 10.487 1.745 0.000) 10.631 1.403 ( 9.805 1.160 0.000) 9.873 1.471 ( 0.785 3.752 0.000) 3.833 1.611 ( 1.326 1.707 0.000) 2.161 1.614 ( 0.724 3.067 0.000) 3.151 1.669 ( 3.733 2.513 0.000) 4.500 1.677 ( 4.720 3.888 0.000) 6.115 1.708 ( 0.716 -1.502 0.000) 1.664 1.715 ( -1.140 -0.201 0.000) 1.158 1.723 ( 2.164 2.397 0.000) 3.230 1.802 ( -0.692 -1.280 0.000) 1.454 1.845 ( -0.596 0.692 0.000) 0.913 1.947 ( -0.686 0.442 0.000) 0.817 1.969 ( -0.107 0.688 0.000) 0.696 2.058 ( 0.522 0.941 0.000) 1.076 2.083 ( 1.305 -1.456 0.000) 1.955 2.117 ( 0.181 -1.371 0.000) 1.383 2.176 ( -0.237 -2.492 0.000) 2.503 2.190 ( -3.687 0.300 0.000) 3.699 2.316 ( 1.815 -3.366 0.000) 3.824 2.358 ( -3.897 -0.716 0.000) 3.963 2.370 ( -0.261 -1.106 0.000) 1.136 2.405 ( 1.933 0.663 0.000) 2.043 2.416 ( -4.510 -0.414 0.000) 4.529 2.528 ( 1.056 -1.085 0.000) 1.514 2.616 ( -0.014 1.982 0.000) 1.982 2.689 ( 6.870 -2.625 0.000) 7.354 2.749 ( -6.006 -0.475 0.000) 6.025 2.828 ( 0.110 0.678 0.000) 0.687 2.915 ( 12.703 -1.014 0.000) 12.743 2.920 ( 10.387 5.539 0.000) 11.771 2.940 ( 7.155 -2.130 0.000) 7.466 3.060 ( 7.267 1.249 0.000) 7.374 3.092 ( 4.524 -1.464 0.000) 4.754 3.770 ( 2.966 -2.693 0.000) 4.006 3.782 ( 2.798 -1.608 0.000) 3.227 3.793 ( -1.938 -0.642 0.000) 2.042 3.896 ( -2.629 -0.241 0.000) 2.640 3.899 ( -0.663 0.103 0.000) 0.671 4.056 ( -0.776 -0.278 0.000) 0.825 4.208 ( -4.098 0.755 0.000) 4.167 4.258 ( -3.455 0.457 0.000) 3.485 4.388 ( 2.193 2.971 0.000) 3.693 4.495 ( 1.686 -1.169 0.000) 2.051 4.521 ( 1.965 2.412 0.000) 3.111 4.653 ( 0.861 -0.272 0.000) 0.903 4.701 ( 2.202 0.051 0.000) 2.203 4.735 ( 3.446 0.053 0.000) 3.447 4.752 ( 1.992 -0.068 0.000) 1.993 4.816 ( 0.972 0.910 0.000) 1.331 4.830 ( 0.423 -0.393 0.000) 0.577 4.863 ( 0.290 -0.069 0.000) 0.298 4.912 ( 3.195 0.370 0.000) 3.216 4.970 ( -1.500 -0.284 0.000) 1.526 4.975 ( 0.210 -0.147 0.000) 0.256 5.095 ( -2.335 0.629 0.000) 2.418 5.218 ( -1.510 1.676 0.000) 2.256 5.291 ( -1.505 1.647 0.000) 2.231 5.381 ( 0.716 0.301 0.000) 0.776 5.437 ( -0.311 -0.106 0.000) 0.328 5.642 ( 2.353 0.800 0.000) 2.485 5.689 ( 3.427 -0.093 0.000) 3.428 5.781 ( -0.128 2.986 0.000) 2.989 5.817 ( 0.580 2.202 0.000) 2.277 ======================= Grid point 5 (6/86) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 1.430 -1.336 0.000) 1.958 1.344 ( 4.674 -0.376 0.000) 4.689 1.396 ( 2.339 3.541 0.000) 4.244 1.464 ( -0.189 1.658 0.000) 1.668 1.530 ( 4.026 1.678 0.000) 4.361 1.609 ( 3.991 5.148 0.000) 6.513 1.640 ( 2.472 0.430 0.000) 2.509 1.653 ( -1.681 2.096 0.000) 2.687 1.694 ( -0.885 -0.003 0.000) 0.885 1.748 ( 2.413 0.909 0.000) 2.579 1.784 ( 3.823 -0.748 0.000) 3.896 1.803 ( 5.679 -0.568 0.000) 5.708 1.829 ( 2.398 -1.385 0.000) 2.770 1.834 ( 0.539 1.947 0.000) 2.020 1.936 ( -0.385 -0.705 0.000) 0.804 1.984 ( 2.505 1.555 0.000) 2.949 2.042 ( -1.813 -0.154 0.000) 1.819 2.096 ( -3.023 -1.741 0.000) 3.488 2.107 ( -1.402 0.354 0.000) 1.446 2.112 ( -1.831 -0.281 0.000) 1.852 2.161 ( -2.121 -1.379 0.000) 2.530 2.229 ( -8.270 -3.732 0.000) 9.073 2.231 ( -7.681 -1.341 0.000) 7.797 2.299 ( -5.868 0.793 0.000) 5.922 2.332 ( -3.249 0.692 0.000) 3.322 2.461 ( 2.521 -0.721 0.000) 2.623 2.549 ( -0.196 -0.354 0.000) 0.405 2.613 ( 0.221 0.647 0.000) 0.684 2.683 ( 0.993 0.210 0.000) 1.015 2.780 ( -1.253 -0.894 0.000) 1.540 2.846 ( 3.207 -0.455 0.000) 3.239 2.981 ( 2.826 1.489 0.000) 3.194 3.142 ( 8.114 -0.674 0.000) 8.142 3.163 ( 8.689 0.590 0.000) 8.709 3.194 ( 4.928 0.629 0.000) 4.968 3.216 ( 8.427 1.700 0.000) 8.596 3.753 ( -2.134 -0.838 0.000) 2.293 3.819 ( -0.271 -0.119 0.000) 0.296 3.843 ( 2.255 -1.820 0.000) 2.898 3.858 ( -0.879 -1.318 0.000) 1.584 3.901 ( 1.342 -1.265 0.000) 1.845 4.058 ( 0.910 -1.169 0.000) 1.481 4.108 ( -4.554 2.204 0.000) 5.060 4.179 ( -3.890 0.827 0.000) 3.977 4.424 ( 2.208 1.801 0.000) 2.850 4.513 ( -0.053 -0.845 0.000) 0.847 4.561 ( 3.010 1.991 0.000) 3.609 4.665 ( -0.137 -0.804 0.000) 0.816 4.753 ( 2.664 0.009 0.000) 2.664 4.784 ( 1.615 0.340 0.000) 1.650 4.793 ( 2.019 0.154 0.000) 2.025 4.832 ( 0.764 0.425 0.000) 0.874 4.849 ( 0.724 -1.156 0.000) 1.364 4.864 ( -0.114 -0.052 0.000) 0.125 4.955 ( -0.040 -0.092 0.000) 0.101 4.968 ( 2.538 0.691 0.000) 2.631 4.994 ( 1.262 -0.175 0.000) 1.274 5.043 ( -2.448 0.753 0.000) 2.561 5.181 ( -1.157 1.303 0.000) 1.742 5.256 ( -1.027 1.427 0.000) 1.758 5.384 ( -0.006 0.342 0.000) 0.342 5.419 ( -1.353 -0.155 0.000) 1.362 5.668 ( 0.830 0.568 0.000) 1.005 5.734 ( 1.243 0.018 0.000) 1.243 5.763 ( -0.310 1.668 0.000) 1.696 5.808 ( -0.120 1.453 0.000) 1.458 ======================= Grid point 6 (7/86) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 -0.000 0.000) 0.000 1.392 ( 0.000 -0.000 0.000) 0.000 1.421 ( 0.000 -0.000 0.000) 0.000 1.424 ( -0.000 0.000 0.000) 0.000 1.569 ( -0.000 -0.000 0.000) 0.000 1.616 ( 0.000 -0.000 0.000) 0.000 1.660 ( 0.000 -0.000 0.000) 0.000 1.672 ( 0.000 -0.000 0.000) 0.000 1.682 ( 0.000 -0.000 0.000) 0.000 1.769 ( 0.000 -0.000 0.000) 0.000 1.830 ( 0.000 -0.000 0.000) 0.000 1.833 ( -0.000 -0.000 0.000) 0.000 1.864 ( 0.000 -0.000 0.000) 0.000 1.891 ( -0.000 -0.000 0.000) 0.000 1.949 ( 0.000 -0.000 0.000) 0.000 1.991 ( 0.000 -0.000 0.000) 0.000 2.029 ( -0.000 -0.000 0.000) 0.000 2.038 ( 0.000 -0.000 0.000) 0.000 2.068 ( 0.000 -0.000 0.000) 0.000 2.106 ( 0.000 -0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 -0.000 0.000) 0.000 2.197 ( 0.000 -0.000 0.000) 0.000 2.204 ( -0.000 -0.000 0.000) 0.000 2.282 ( 0.000 -0.000 0.000) 0.000 2.489 ( 0.000 -0.000 0.000) 0.000 2.548 ( 0.000 -0.000 0.000) 0.000 2.614 ( 0.000 -0.000 0.000) 0.000 2.720 ( 0.000 -0.000 0.000) 0.000 2.746 ( 0.000 -0.000 0.000) 0.000 2.881 ( 0.000 -0.000 0.000) 0.000 3.005 ( 0.000 -0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.240 ( -0.000 -0.000 0.000) 0.000 3.252 ( 0.000 -0.000 0.000) 0.000 3.303 ( 0.000 -0.000 0.000) 0.000 3.732 ( 0.000 -0.000 0.000) 0.000 3.803 ( 0.000 -0.000 0.000) 0.000 3.862 ( 0.000 -0.000 0.000) 0.000 3.862 ( 0.000 -0.000 0.000) 0.000 3.950 ( -0.000 0.000 0.000) 0.000 4.036 ( 0.000 -0.000 0.000) 0.000 4.096 ( 0.000 -0.000 0.000) 0.000 4.114 ( 0.000 -0.000 0.000) 0.000 4.442 ( 0.000 -0.000 0.000) 0.000 4.513 ( 0.000 -0.000 0.000) 0.000 4.593 ( 0.000 -0.000 0.000) 0.000 4.661 ( 0.000 -0.000 0.000) 0.000 4.784 ( 0.000 -0.000 0.000) 0.000 4.798 ( 0.000 -0.000 0.000) 0.000 4.818 ( -0.000 -0.000 0.000) 0.000 4.834 ( 0.000 -0.000 0.000) 0.000 4.857 ( -0.000 -0.000 0.000) 0.000 4.863 ( 0.000 -0.000 0.000) 0.000 4.966 ( 0.000 -0.000 0.000) 0.000 4.999 ( 0.000 -0.000 0.000) 0.000 5.003 ( 0.000 -0.000 0.000) 0.000 5.006 ( 0.000 -0.000 0.000) 0.000 5.166 ( 0.000 -0.000 0.000) 0.000 5.241 ( 0.000 -0.000 0.000) 0.000 5.384 ( 0.000 -0.000 0.000) 0.000 5.402 ( 0.000 -0.000 0.000) 0.000 5.674 ( 0.000 -0.000 0.000) 0.000 5.744 ( 0.000 -0.000 0.000) 0.000 5.755 ( 0.000 -0.000 0.000) 0.000 5.803 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/86) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 17.478 -0.000 0.000) 17.478 0.697 ( 16.324 -0.000 0.000) 16.324 0.981 ( 8.315 -0.000 0.000) 8.315 1.001 ( 1.150 -0.000 0.000) 1.150 1.279 ( 16.961 -0.000 0.000) 16.961 1.349 ( 15.068 -0.000 0.000) 15.068 1.369 ( 18.349 -0.000 0.000) 18.349 1.571 ( 1.012 -0.000 0.000) 1.012 1.603 ( 0.974 -0.000 0.000) 0.974 1.712 ( 6.574 -0.000 0.000) 6.574 1.715 ( -0.745 0.000 0.000) 0.745 1.789 ( -1.188 0.000 0.000) 1.188 1.800 ( 2.028 -0.000 0.000) 2.028 1.842 ( 3.029 -0.000 0.000) 3.029 1.860 ( 3.441 -0.000 0.000) 3.441 1.916 ( 4.470 -0.000 0.000) 4.470 1.946 ( 4.804 -0.000 0.000) 4.804 1.948 ( 1.040 -0.000 0.000) 1.040 1.976 ( 2.175 -0.000 0.000) 2.175 2.059 ( 2.354 -0.000 0.000) 2.354 2.079 ( -1.429 0.000 0.000) 1.429 2.143 ( 9.154 -0.000 0.000) 9.154 2.182 ( 3.819 -0.000 0.000) 3.819 2.215 ( 5.983 -0.000 0.000) 5.983 2.250 ( 0.635 -0.000 0.000) 0.635 2.372 ( 2.371 -0.000 0.000) 2.371 2.388 ( 3.816 -0.000 0.000) 3.816 2.508 ( -0.728 0.000 0.000) 0.728 2.519 ( 3.869 -0.000 0.000) 3.869 2.623 ( 0.594 -0.000 0.000) 0.594 2.646 ( 6.997 -0.000 0.000) 6.997 2.854 ( 0.424 -0.000 0.000) 0.424 2.893 ( 2.811 -0.000 0.000) 2.811 2.894 ( 2.148 -0.000 0.000) 2.148 3.001 ( -5.017 0.000 0.000) 5.017 3.063 ( -2.404 0.000 0.000) 2.404 3.629 ( 3.203 -0.000 0.000) 3.203 3.636 ( 3.647 -0.000 0.000) 3.647 3.752 ( 5.657 -0.000 0.000) 5.657 3.950 ( -2.490 0.000 0.000) 2.490 4.014 ( -3.859 0.000 0.000) 3.859 4.054 ( 2.031 -0.000 0.000) 2.031 4.199 ( 1.018 -0.000 0.000) 1.018 4.314 ( 1.401 -0.000 0.000) 1.401 4.336 ( 3.813 -0.000 0.000) 3.813 4.463 ( -0.402 0.000 0.000) 0.402 4.555 ( -1.107 0.000 0.000) 1.107 4.637 ( -1.967 0.000 0.000) 1.967 4.670 ( -1.894 0.000 0.000) 1.894 4.677 ( -0.365 0.000 0.000) 0.365 4.751 ( -1.002 0.000 0.000) 1.002 4.761 ( 3.059 -0.000 0.000) 3.059 4.853 ( -1.364 0.000 0.000) 1.364 4.867 ( -2.799 0.000 0.000) 2.799 4.924 ( -3.343 0.000 0.000) 3.343 5.004 ( -1.765 0.000 0.000) 1.765 5.049 ( -2.108 0.000 0.000) 2.108 5.165 ( -1.097 0.000 0.000) 1.097 5.263 ( 0.634 -0.000 0.000) 0.634 5.321 ( 1.624 -0.000 0.000) 1.624 5.346 ( -0.332 0.000 0.000) 0.332 5.368 ( 3.380 -0.000 0.000) 3.380 5.505 ( 4.556 -0.000 0.000) 4.556 5.537 ( 2.954 -0.000 0.000) 2.954 5.760 ( 3.697 -0.000 0.000) 3.697 5.821 ( 0.619 -0.000 0.000) 0.619 ======================= Grid point 15 (9/86) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 12.920 -0.139 0.000) 12.920 0.985 ( 12.857 -1.077 0.000) 12.902 1.082 ( 7.655 -0.768 0.000) 7.694 1.185 ( 11.913 -0.340 0.000) 11.918 1.447 ( 6.492 1.293 0.000) 6.620 1.569 ( 7.975 1.112 0.000) 8.052 1.574 ( 1.868 -0.068 0.000) 1.869 1.633 ( 2.306 1.950 0.000) 3.020 1.685 ( -1.938 -2.190 0.000) 2.925 1.708 ( 6.358 3.643 0.000) 7.328 1.746 ( -0.346 0.634 0.000) 0.722 1.756 ( -1.694 0.849 0.000) 1.895 1.811 ( -0.996 -0.544 0.000) 1.135 1.857 ( -0.347 -0.217 0.000) 0.409 1.961 ( 0.077 0.142 0.000) 0.161 1.963 ( 3.463 -0.486 0.000) 3.497 2.027 ( 2.172 -0.870 0.000) 2.340 2.030 ( 4.121 -0.165 0.000) 4.124 2.051 ( 5.690 -0.722 0.000) 5.736 2.109 ( 3.560 -0.522 0.000) 3.598 2.138 ( 8.955 -1.287 0.000) 9.046 2.236 ( 0.208 0.365 0.000) 0.420 2.279 ( 5.064 2.254 0.000) 5.543 2.311 ( 4.456 -3.180 0.000) 5.475 2.338 ( 5.008 0.302 0.000) 5.017 2.434 ( 2.514 -0.355 0.000) 2.539 2.467 ( 2.266 -0.878 0.000) 2.430 2.590 ( 12.178 0.906 0.000) 12.211 2.638 ( 5.787 1.426 0.000) 5.961 2.652 ( 6.191 -1.040 0.000) 6.278 2.697 ( -3.438 -0.450 0.000) 3.468 2.851 ( -0.534 0.854 0.000) 1.007 2.884 ( -3.123 -0.321 0.000) 3.140 2.932 ( 2.023 0.436 0.000) 2.069 2.957 ( 2.336 -0.654 0.000) 2.426 3.023 ( -1.203 -0.549 0.000) 1.322 3.692 ( 2.296 -0.616 0.000) 2.377 3.697 ( 3.529 -0.576 0.000) 3.575 3.808 ( 0.329 -0.069 0.000) 0.336 3.916 ( -1.098 -0.104 0.000) 1.103 3.949 ( -2.924 0.086 0.000) 2.925 4.070 ( -0.328 -0.014 0.000) 0.328 4.232 ( 1.642 0.198 0.000) 1.654 4.315 ( -1.108 0.847 0.000) 1.395 4.411 ( 2.925 0.317 0.000) 2.942 4.439 ( -1.036 -0.161 0.000) 1.048 4.535 ( -0.416 0.663 0.000) 0.782 4.627 ( 0.570 -0.761 0.000) 0.951 4.673 ( 2.257 0.203 0.000) 2.266 4.677 ( 0.447 -0.112 0.000) 0.461 4.736 ( -0.239 0.296 0.000) 0.381 4.819 ( 1.111 0.486 0.000) 1.213 4.832 ( -0.705 0.045 0.000) 0.706 4.841 ( 2.040 0.430 0.000) 2.084 4.876 ( -1.375 -0.689 0.000) 1.538 4.981 ( -0.832 -0.159 0.000) 0.847 5.005 ( -2.206 0.039 0.000) 2.206 5.138 ( -1.630 -0.007 0.000) 1.630 5.258 ( -0.769 0.329 0.000) 0.836 5.332 ( -1.024 0.216 0.000) 1.047 5.359 ( 1.875 0.148 0.000) 1.881 5.422 ( 1.852 -0.068 0.000) 1.853 5.597 ( 3.193 0.324 0.000) 3.210 5.602 ( 5.105 -0.051 0.000) 5.105 5.818 ( 2.231 0.766 0.000) 2.359 5.824 ( 0.075 1.352 0.000) 1.354 ======================= Grid point 16 (10/86) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 4.224 -1.020 0.000) 4.346 1.203 ( 9.001 -0.708 0.000) 9.029 1.297 ( 11.793 1.183 0.000) 11.852 1.412 ( 10.633 0.579 0.000) 10.649 1.499 ( 0.130 1.390 0.000) 1.396 1.629 ( -0.187 1.373 0.000) 1.386 1.645 ( 4.049 2.354 0.000) 4.683 1.690 ( 2.405 0.846 0.000) 2.550 1.691 ( 3.125 -1.143 0.000) 3.327 1.711 ( 1.301 2.163 0.000) 2.524 1.720 ( -1.272 1.100 0.000) 1.682 1.752 ( 0.923 2.475 0.000) 2.641 1.787 ( -1.217 -1.267 0.000) 1.757 1.853 ( 0.211 0.641 0.000) 0.675 1.950 ( -0.943 0.164 0.000) 0.958 1.974 ( 0.351 0.324 0.000) 0.477 2.062 ( -0.782 -0.079 0.000) 0.786 2.069 ( 1.814 -0.877 0.000) 2.015 2.102 ( -0.241 -1.217 0.000) 1.241 2.157 ( 0.382 -0.957 0.000) 1.031 2.193 ( -3.761 0.157 0.000) 3.764 2.284 ( 1.458 -2.160 0.000) 2.606 2.350 ( -4.284 -0.534 0.000) 4.317 2.355 ( 1.642 -1.251 0.000) 2.064 2.415 ( -4.136 0.033 0.000) 4.136 2.418 ( 1.579 1.314 0.000) 2.054 2.518 ( 1.868 -0.655 0.000) 1.980 2.635 ( -0.800 1.363 0.000) 1.581 2.658 ( 5.550 -2.520 0.000) 6.095 2.746 ( -5.293 -0.161 0.000) 5.295 2.838 ( -0.086 0.841 0.000) 0.846 2.905 ( 12.601 -0.713 0.000) 12.621 2.914 ( 11.728 -1.715 0.000) 11.852 2.983 ( 6.087 5.069 0.000) 7.922 3.070 ( 5.431 -2.606 0.000) 6.024 3.071 ( 8.164 0.706 0.000) 8.194 3.746 ( 2.875 -1.551 0.000) 3.267 3.767 ( 3.093 -0.986 0.000) 3.246 3.786 ( -2.201 -0.444 0.000) 2.245 3.894 ( -2.920 -0.185 0.000) 2.925 3.901 ( -0.585 0.145 0.000) 0.603 4.053 ( -1.023 -0.119 0.000) 1.030 4.215 ( -3.289 0.500 0.000) 3.327 4.263 ( -3.543 0.463 0.000) 3.573 4.420 ( 1.876 2.819 0.000) 3.387 4.478 ( 1.531 -1.820 0.000) 2.378 4.543 ( 1.920 1.481 0.000) 2.425 4.650 ( 0.849 -0.290 0.000) 0.897 4.702 ( 2.165 -0.016 0.000) 2.165 4.735 ( 3.525 -0.012 0.000) 3.525 4.749 ( 1.738 -0.260 0.000) 1.758 4.826 ( 0.831 0.690 0.000) 1.080 4.826 ( 0.091 -0.232 0.000) 0.249 4.862 ( 0.005 -0.100 0.000) 0.101 4.916 ( 3.924 0.282 0.000) 3.935 4.968 ( -1.514 -0.121 0.000) 1.518 4.973 ( 0.087 -0.136 0.000) 0.161 5.100 ( -2.160 0.409 0.000) 2.198 5.232 ( -1.528 0.905 0.000) 1.776 5.305 ( -1.422 0.888 0.000) 1.677 5.384 ( 0.706 0.188 0.000) 0.730 5.436 ( -0.305 -0.082 0.000) 0.316 5.649 ( 2.248 0.502 0.000) 2.303 5.689 ( 3.504 -0.028 0.000) 3.504 5.808 ( -0.765 1.754 0.000) 1.913 5.836 ( 0.291 1.260 0.000) 1.293 ======================= Grid point 17 (11/86) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 1.833 -1.083 0.000) 2.129 1.341 ( 4.993 -0.160 0.000) 4.995 1.433 ( 1.974 2.953 0.000) 3.552 1.479 ( -0.682 1.063 0.000) 1.263 1.546 ( 2.940 1.119 0.000) 3.146 1.640 ( 1.706 -0.079 0.000) 1.708 1.665 ( 2.715 4.886 0.000) 5.590 1.679 ( -1.011 1.907 0.000) 2.158 1.695 ( -0.745 0.509 0.000) 0.903 1.759 ( 0.904 1.075 0.000) 1.404 1.778 ( 3.620 -0.350 0.000) 3.637 1.793 ( 4.506 -1.378 0.000) 4.712 1.812 ( 3.277 -1.595 0.000) 3.645 1.859 ( 1.305 2.400 0.000) 2.732 1.928 ( -1.104 -0.548 0.000) 1.233 2.000 ( 2.815 1.239 0.000) 3.075 2.034 ( -2.040 -1.053 0.000) 2.296 2.074 ( -2.783 -2.058 0.000) 3.462 2.104 ( 0.611 -0.491 0.000) 0.784 2.116 ( -3.326 0.523 0.000) 3.367 2.148 ( -1.600 -1.026 0.000) 1.900 2.190 ( -8.457 -3.077 0.000) 8.999 2.218 ( -7.191 -0.943 0.000) 7.253 2.307 ( -5.976 0.560 0.000) 6.002 2.339 ( -3.215 0.437 0.000) 3.244 2.459 ( 2.926 0.340 0.000) 2.945 2.543 ( 0.080 -0.674 0.000) 0.679 2.620 ( -0.291 0.438 0.000) 0.526 2.687 ( 1.068 0.459 0.000) 1.163 2.767 ( 0.371 -1.252 0.000) 1.305 2.842 ( 2.353 -0.218 0.000) 2.363 2.994 ( 1.706 0.808 0.000) 1.888 3.136 ( 8.713 -0.411 0.000) 8.723 3.173 ( 8.528 1.086 0.000) 8.597 3.198 ( 5.593 0.098 0.000) 5.594 3.233 ( 7.795 1.303 0.000) 7.903 3.744 ( -2.001 -0.728 0.000) 2.129 3.817 ( 0.770 -0.136 0.000) 0.782 3.821 ( 3.427 -1.888 0.000) 3.912 3.844 ( -1.452 -1.140 0.000) 1.846 3.895 ( 0.360 -0.156 0.000) 0.392 4.048 ( 0.617 -0.669 0.000) 0.910 4.131 ( -4.190 1.745 0.000) 4.538 4.188 ( -3.548 0.789 0.000) 3.634 4.443 ( 1.120 1.572 0.000) 1.930 4.502 ( 0.391 -1.150 0.000) 1.215 4.583 ( 2.645 1.801 0.000) 3.200 4.655 ( -0.576 -1.018 0.000) 1.169 4.753 ( 2.649 -0.024 0.000) 2.649 4.788 ( 1.698 0.290 0.000) 1.723 4.793 ( 2.136 -0.127 0.000) 2.140 4.837 ( 0.688 -0.829 0.000) 1.077 4.839 ( 0.642 0.683 0.000) 0.938 4.862 ( -0.187 -0.282 0.000) 0.338 4.954 ( 0.113 -0.057 0.000) 0.127 4.975 ( 2.120 0.627 0.000) 2.210 4.992 ( 1.490 -0.293 0.000) 1.518 5.051 ( -2.642 0.534 0.000) 2.696 5.194 ( -1.701 0.911 0.000) 1.930 5.269 ( -1.553 0.982 0.000) 1.838 5.388 ( 0.018 0.284 0.000) 0.285 5.418 ( -1.433 -0.167 0.000) 1.443 5.674 ( 0.605 0.430 0.000) 0.742 5.734 ( 1.246 0.013 0.000) 1.246 5.780 ( -1.135 1.306 0.000) 1.731 5.823 ( -0.734 1.096 0.000) 1.319 ======================= Grid point 18 (12/86) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 0.609 -0.453 0.000) 0.759 1.393 ( 0.239 0.181 0.000) 0.300 1.428 ( 0.630 1.195 0.000) 1.351 1.432 ( -3.241 1.420 0.000) 3.539 1.570 ( 0.150 0.049 0.000) 0.158 1.618 ( -2.261 0.310 0.000) 2.282 1.647 ( -4.950 -2.199 0.000) 5.416 1.669 ( -0.987 -0.488 0.000) 1.101 1.681 ( -0.148 -0.276 0.000) 0.313 1.769 ( 0.303 0.159 0.000) 0.343 1.836 ( -0.573 0.754 0.000) 0.947 1.837 ( 1.134 0.695 0.000) 1.330 1.863 ( 0.332 -0.086 0.000) 0.343 1.896 ( 0.404 0.962 0.000) 1.043 1.948 ( 1.728 -0.162 0.000) 1.736 1.983 ( -0.156 -1.325 0.000) 1.334 2.025 ( -2.443 -0.695 0.000) 2.540 2.035 ( -1.082 -0.349 0.000) 1.137 2.067 ( 0.025 -0.084 0.000) 0.088 2.107 ( 1.058 0.144 0.000) 1.068 2.123 ( 1.460 -1.108 0.000) 1.833 2.147 ( 4.454 0.478 0.000) 4.479 2.197 ( -0.571 0.110 0.000) 0.582 2.204 ( -0.094 -0.083 0.000) 0.125 2.284 ( -0.726 0.281 0.000) 0.778 2.494 ( 0.746 0.785 0.000) 1.083 2.547 ( -0.029 -0.218 0.000) 0.220 2.613 ( -0.326 -0.078 0.000) 0.335 2.723 ( -0.410 0.412 0.000) 0.581 2.745 ( 0.652 -0.089 0.000) 0.658 2.880 ( 0.436 -0.143 0.000) 0.459 3.005 ( -0.525 -0.006 0.000) 0.525 3.224 ( 0.117 -0.007 0.000) 0.117 3.240 ( -0.515 0.096 0.000) 0.524 3.252 ( -0.888 0.016 0.000) 0.888 3.303 ( -0.995 0.086 0.000) 0.999 3.732 ( 0.628 -0.082 0.000) 0.633 3.803 ( -0.030 -0.025 0.000) 0.039 3.860 ( 0.880 -0.224 0.000) 0.908 3.861 ( 0.332 -0.105 0.000) 0.348 3.944 ( 3.299 -0.886 0.000) 3.415 4.046 ( -2.934 1.446 0.000) 3.271 4.089 ( 2.855 -0.858 0.000) 2.981 4.123 ( -2.389 1.216 0.000) 2.681 4.438 ( -1.289 -0.613 0.000) 1.427 4.514 ( 0.617 0.184 0.000) 0.644 4.593 ( -1.704 0.013 0.000) 1.704 4.660 ( 1.118 -0.148 0.000) 1.128 4.782 ( -0.154 -0.297 0.000) 0.335 4.799 ( -0.273 0.197 0.000) 0.337 4.818 ( -0.196 -0.072 0.000) 0.209 4.835 ( -0.297 0.174 0.000) 0.344 4.858 ( 1.172 0.097 0.000) 1.176 4.861 ( 0.005 -0.206 0.000) 0.206 4.968 ( 0.359 0.337 0.000) 0.492 4.999 ( -0.686 -0.021 0.000) 0.687 5.003 ( 0.321 -0.023 0.000) 0.322 5.004 ( -0.981 -0.347 0.000) 1.040 5.166 ( -0.789 -0.023 0.000) 0.790 5.241 ( -0.930 -0.023 0.000) 0.930 5.384 ( -0.406 0.133 0.000) 0.427 5.401 ( 0.268 -0.144 0.000) 0.304 5.674 ( -0.374 -0.004 0.000) 0.374 5.744 ( -0.085 -0.096 0.000) 0.129 5.755 ( -0.882 0.122 0.000) 0.891 5.803 ( -0.802 0.146 0.000) 0.816 ======================= Grid point 19 (13/86) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -0.770 0.917 0.000) 1.197 1.350 ( -4.295 0.633 0.000) 4.341 1.360 ( -4.429 -2.621 0.000) 5.147 1.446 ( -0.410 -1.435 0.000) 1.492 1.510 ( -5.395 -1.906 0.000) 5.722 1.551 ( -4.302 -5.158 0.000) 6.716 1.618 ( -0.883 -2.498 0.000) 2.649 1.649 ( 0.101 0.389 0.000) 0.402 1.693 ( 1.158 -0.060 0.000) 1.160 1.738 ( -4.709 -0.973 0.000) 4.809 1.794 ( -3.807 0.937 0.000) 3.921 1.806 ( -5.735 -0.022 0.000) 5.735 1.820 ( 0.009 -0.312 0.000) 0.312 1.842 ( -1.652 1.036 0.000) 1.950 1.943 ( -0.706 0.625 0.000) 0.943 1.968 ( -2.229 -1.267 0.000) 2.564 2.037 ( 1.293 -1.010 0.000) 1.641 2.100 ( 3.843 -0.618 0.000) 3.892 2.112 ( 3.402 1.205 0.000) 3.609 2.117 ( 0.087 0.460 0.000) 0.468 2.176 ( 3.501 0.968 0.000) 3.632 2.247 ( 8.334 1.441 0.000) 8.457 2.264 ( 6.078 2.210 0.000) 6.467 2.290 ( 5.813 -0.822 0.000) 5.871 2.332 ( 5.252 0.999 0.000) 5.346 2.473 ( -2.280 1.267 0.000) 2.608 2.549 ( 0.421 -0.306 0.000) 0.521 2.606 ( -0.731 -0.693 0.000) 1.008 2.682 ( -1.092 0.172 0.000) 1.105 2.786 ( 1.994 0.327 0.000) 2.021 2.851 ( -3.469 0.500 0.000) 3.505 2.962 ( -4.712 -1.846 0.000) 5.060 3.150 ( -7.171 0.644 0.000) 7.200 3.160 ( -8.050 -0.064 0.000) 8.050 3.185 ( -4.635 -0.822 0.000) 4.707 3.198 ( -9.300 -1.450 0.000) 9.412 3.762 ( 2.247 0.628 0.000) 2.333 3.819 ( 0.791 0.017 0.000) 0.791 3.857 ( -0.805 0.738 0.000) 1.092 3.872 ( 0.867 1.030 0.000) 1.346 3.925 ( -2.566 2.847 0.000) 3.833 4.074 ( -1.233 1.505 0.000) 1.945 4.084 ( 5.006 -2.080 0.000) 5.421 4.172 ( 4.456 -0.487 0.000) 4.483 4.403 ( -2.886 -1.838 0.000) 3.421 4.520 ( 0.045 0.417 0.000) 0.419 4.540 ( -3.670 -1.868 0.000) 4.118 4.672 ( -0.123 0.558 0.000) 0.571 4.752 ( -2.588 -0.067 0.000) 2.589 4.781 ( -1.678 -0.319 0.000) 1.708 4.789 ( -2.216 -0.654 0.000) 2.310 4.830 ( -0.770 0.023 0.000) 0.770 4.862 ( -0.767 1.276 0.000) 1.489 4.863 ( 0.131 -0.142 0.000) 0.193 4.956 ( 0.183 0.105 0.000) 0.211 4.960 ( -2.843 -0.674 0.000) 2.922 4.996 ( -1.183 0.071 0.000) 1.185 5.034 ( 2.363 -0.817 0.000) 2.500 5.166 ( 0.495 -1.339 0.000) 1.428 5.239 ( 0.353 -1.527 0.000) 1.567 5.380 ( -0.030 -0.304 0.000) 0.305 5.421 ( 1.311 0.082 0.000) 1.313 5.662 ( -1.054 -0.553 0.000) 1.190 5.734 ( -1.150 -0.029 0.000) 1.150 5.745 ( -0.655 -1.520 0.000) 1.655 5.792 ( -0.685 -1.392 0.000) 1.551 ======================= Grid point 20 (14/86) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -5.345 1.067 0.000) 5.450 1.231 ( -7.118 1.699 0.000) 7.317 1.260 ( -7.369 -1.905 0.000) 7.611 1.387 ( -8.599 -1.669 0.000) 8.759 1.422 ( -2.064 -4.565 0.000) 5.010 1.578 ( 1.822 -3.463 0.000) 3.913 1.592 ( -2.188 -1.666 0.000) 2.750 1.630 ( -6.547 -4.286 0.000) 7.825 1.639 ( -4.090 -2.641 0.000) 4.869 1.703 ( -4.466 -1.209 0.000) 4.627 1.718 ( -0.517 0.810 0.000) 0.961 1.727 ( 1.197 1.583 0.000) 1.985 1.815 ( 0.215 1.062 0.000) 1.083 1.841 ( 1.252 0.149 0.000) 1.260 1.940 ( 0.311 -0.842 0.000) 0.898 1.959 ( 0.406 -1.047 0.000) 1.123 2.042 ( -1.510 -1.712 0.000) 2.283 2.100 ( -0.647 1.645 0.000) 1.768 2.132 ( -0.484 1.274 0.000) 1.362 2.186 ( 3.524 -0.405 0.000) 3.547 2.209 ( 0.709 3.138 0.000) 3.217 2.345 ( -1.896 0.698 0.000) 2.020 2.363 ( 3.606 0.072 0.000) 3.607 2.377 ( 1.719 1.121 0.000) 2.052 2.415 ( -2.157 2.353 0.000) 3.192 2.428 ( 4.992 1.869 0.000) 5.330 2.541 ( -0.593 1.181 0.000) 1.321 2.593 ( -0.597 -1.933 0.000) 2.023 2.710 ( -6.389 1.138 0.000) 6.489 2.755 ( 4.274 0.329 0.000) 4.287 2.825 ( 1.585 -0.063 0.000) 1.586 2.852 ( -8.949 -6.397 0.000) 11.000 2.929 ( -13.531 1.556 0.000) 13.620 2.968 ( -8.563 2.472 0.000) 8.913 3.045 ( -6.242 -1.501 0.000) 6.420 3.103 ( -3.612 0.645 0.000) 3.669 3.799 ( 1.265 0.529 0.000) 1.371 3.800 ( -2.207 1.622 0.000) 2.739 3.803 ( -2.579 3.076 0.000) 4.014 3.899 ( 2.099 0.221 0.000) 2.111 3.900 ( 0.508 0.205 0.000) 0.548 4.060 ( 0.264 0.445 0.000) 0.517 4.200 ( 5.161 -0.649 0.000) 5.202 4.255 ( 3.394 0.096 0.000) 3.395 4.356 ( -2.589 -2.795 0.000) 3.810 4.492 ( -1.947 -2.738 0.000) 3.360 4.504 ( -1.708 0.553 0.000) 1.795 4.655 ( -0.953 0.141 0.000) 0.964 4.700 ( -2.474 -0.237 0.000) 2.485 4.734 ( -3.254 -0.150 0.000) 3.257 4.748 ( -2.409 -0.869 0.000) 2.561 4.808 ( -1.206 -0.435 0.000) 1.282 4.835 ( -0.980 0.416 0.000) 1.065 4.864 ( -0.580 0.030 0.000) 0.580 4.909 ( -2.129 -0.224 0.000) 2.141 4.975 ( 1.616 0.521 0.000) 1.698 4.976 ( -0.341 -0.015 0.000) 0.342 5.087 ( 2.578 -0.615 0.000) 2.651 5.197 ( 1.452 -2.060 0.000) 2.520 5.269 ( 1.607 -2.102 0.000) 2.646 5.377 ( -0.709 -0.330 0.000) 0.783 5.438 ( 0.313 0.065 0.000) 0.320 5.633 ( -2.447 -0.797 0.000) 2.574 5.691 ( -3.294 0.233 0.000) 3.303 5.745 ( -0.772 -3.378 0.000) 3.465 5.789 ( -1.003 -2.629 0.000) 2.814 ======================= Grid point 21 (15/86) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -11.295 1.083 0.000) 11.347 1.050 ( -10.199 4.320 0.000) 11.076 1.136 ( -4.390 3.800 0.000) 5.806 1.206 ( -9.334 1.379 0.000) 9.435 1.371 ( -6.393 -4.621 0.000) 7.888 1.514 ( -8.282 -3.205 0.000) 8.881 1.566 ( -4.234 -6.419 0.000) 7.690 1.572 ( -2.576 -3.120 0.000) 4.046 1.580 ( -2.994 -1.161 0.000) 3.211 1.686 ( 0.692 -3.926 0.000) 3.987 1.722 ( 0.494 -1.175 0.000) 1.275 1.751 ( 1.820 2.732 0.000) 3.283 1.833 ( 1.422 1.155 0.000) 1.832 1.854 ( -0.109 0.187 0.000) 0.216 1.952 ( 0.167 -0.699 0.000) 0.718 1.978 ( -0.863 0.282 0.000) 0.907 1.997 ( -2.929 -3.526 0.000) 4.583 2.069 ( -1.362 2.400 0.000) 2.760 2.075 ( -5.066 1.235 0.000) 5.214 2.165 ( -3.179 3.451 0.000) 4.692 2.219 ( -2.075 -0.860 0.000) 2.246 2.229 ( -12.262 6.527 0.000) 13.890 2.271 ( -3.942 1.279 0.000) 4.145 2.325 ( -6.377 -0.669 0.000) 6.412 2.366 ( -2.264 1.249 0.000) 2.586 2.444 ( 0.512 -0.003 0.000) 0.512 2.507 ( -4.495 0.564 0.000) 4.530 2.551 ( -10.393 -0.330 0.000) 10.399 2.584 ( -9.451 -3.242 0.000) 9.991 2.684 ( -1.503 1.817 0.000) 2.358 2.727 ( 0.548 2.085 0.000) 2.156 2.817 ( 0.508 -1.826 0.000) 1.895 2.888 ( -0.076 -0.137 0.000) 0.157 2.914 ( 0.094 -0.779 0.000) 0.785 2.986 ( 1.404 1.258 0.000) 1.885 3.049 ( -0.580 1.417 0.000) 1.532 3.729 ( -2.966 2.461 0.000) 3.854 3.731 ( -3.461 2.304 0.000) 4.157 3.812 ( -0.606 0.251 0.000) 0.656 3.920 ( 1.450 0.068 0.000) 1.452 3.940 ( 1.845 -0.781 0.000) 2.004 4.068 ( 0.212 -0.479 0.000) 0.523 4.219 ( -3.052 -1.066 0.000) 3.233 4.275 ( -1.969 -2.150 0.000) 2.916 4.398 ( 4.400 -0.496 0.000) 4.428 4.448 ( -2.682 0.663 0.000) 2.762 4.508 ( 1.913 -1.121 0.000) 2.218 4.654 ( 1.589 0.930 0.000) 1.842 4.658 ( -2.983 -1.174 0.000) 3.205 4.682 ( -0.801 0.263 0.000) 0.843 4.714 ( -1.590 -1.744 0.000) 2.360 4.792 ( -1.558 -1.614 0.000) 2.243 4.827 ( 0.082 -0.487 0.000) 0.494 4.839 ( -0.129 0.670 0.000) 0.682 4.902 ( 1.256 1.405 0.000) 1.885 4.988 ( 1.547 0.277 0.000) 1.571 5.008 ( 2.141 0.519 0.000) 2.203 5.138 ( 2.281 -0.098 0.000) 2.283 5.237 ( 1.482 -1.541 0.000) 2.138 5.318 ( 2.396 -0.920 0.000) 2.567 5.352 ( -2.088 -0.384 0.000) 2.123 5.425 ( -1.722 0.197 0.000) 1.733 5.580 ( -3.296 -0.999 0.000) 3.444 5.606 ( -5.038 0.346 0.000) 5.050 5.748 ( -1.435 -4.830 0.000) 5.038 5.773 ( -2.368 -2.924 0.000) 3.763 ======================= Grid point 22 (16/86) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -11.674 6.596 0.000) 13.409 0.783 ( -13.715 7.027 0.000) 15.411 1.039 ( -5.771 4.789 0.000) 7.499 1.052 ( -1.899 3.748 0.000) 4.201 1.264 ( -5.962 -2.914 0.000) 6.636 1.321 ( -13.524 -2.275 0.000) 13.714 1.356 ( -20.650 0.302 0.000) 20.653 1.554 ( -1.197 -3.634 0.000) 3.826 1.555 ( -1.343 -0.605 0.000) 1.473 1.694 ( -3.292 -2.462 0.000) 4.111 1.736 ( -0.892 -3.078 0.000) 3.205 1.764 ( 0.602 3.467 0.000) 3.519 1.823 ( -1.411 1.600 0.000) 2.133 1.826 ( -2.906 -1.243 0.000) 3.160 1.903 ( -6.301 -2.761 0.000) 6.879 1.912 ( -5.389 3.738 0.000) 6.558 1.947 ( -0.539 0.102 0.000) 0.548 1.958 ( -5.634 3.345 0.000) 6.552 2.026 ( -1.497 2.799 0.000) 3.174 2.052 ( -0.350 1.037 0.000) 1.094 2.097 ( -1.658 1.033 0.000) 1.953 2.115 ( -5.344 -3.429 0.000) 6.350 2.169 ( -6.873 2.173 0.000) 7.208 2.258 ( -3.366 0.570 0.000) 3.414 2.275 ( -3.570 1.230 0.000) 3.776 2.383 ( -5.664 0.842 0.000) 5.726 2.392 ( -3.634 -2.343 0.000) 4.324 2.461 ( -1.185 -2.322 0.000) 2.607 2.467 ( -1.561 1.468 0.000) 2.143 2.688 ( 0.485 3.591 0.000) 3.624 2.725 ( -1.934 3.878 0.000) 4.333 2.828 ( -0.799 -3.033 0.000) 3.136 2.855 ( -1.780 -1.999 0.000) 2.677 2.880 ( -3.435 -0.823 0.000) 3.532 3.036 ( 3.487 2.523 0.000) 4.304 3.074 ( 2.594 0.882 0.000) 2.740 3.651 ( -3.428 1.880 0.000) 3.909 3.653 ( -3.908 1.541 0.000) 4.201 3.756 ( -5.311 0.329 0.000) 5.322 3.952 ( 1.864 -0.157 0.000) 1.870 3.967 ( -0.602 -3.060 0.000) 3.118 4.067 ( -0.580 -0.729 0.000) 0.932 4.172 ( -1.700 -1.656 0.000) 2.374 4.228 ( -4.137 -4.421 0.000) 6.054 4.361 ( -3.140 1.423 0.000) 3.447 4.484 ( 1.302 2.036 0.000) 2.417 4.545 ( 1.200 -0.599 0.000) 1.341 4.644 ( 1.778 -2.158 0.000) 2.796 4.683 ( 0.530 0.197 0.000) 0.566 4.700 ( -0.125 -1.308 0.000) 1.314 4.707 ( 2.955 2.081 0.000) 3.614 4.770 ( -0.083 -0.769 0.000) 0.773 4.840 ( 0.821 -1.063 0.000) 1.343 4.880 ( 4.063 1.595 0.000) 4.365 4.930 ( 2.387 0.680 0.000) 2.482 5.027 ( 2.851 1.705 0.000) 3.322 5.050 ( 2.243 0.320 0.000) 2.265 5.173 ( 1.353 0.463 0.000) 1.430 5.262 ( 0.130 -0.189 0.000) 0.230 5.309 ( -2.175 -0.919 0.000) 2.361 5.362 ( 1.864 1.396 0.000) 2.329 5.372 ( -3.335 0.325 0.000) 3.351 5.507 ( -4.542 0.213 0.000) 4.547 5.526 ( -2.749 -0.948 0.000) 2.908 5.729 ( -3.608 -2.532 0.000) 4.408 5.740 ( -2.558 -5.967 0.000) 6.492 ======================= Grid point 23 (17/86) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -9.906 12.328 0.000) 15.814 0.461 ( -13.796 10.661 0.000) 17.435 0.831 ( -25.822 14.920 0.000) 29.823 0.932 ( -2.469 5.832 0.000) 6.333 1.040 ( 2.118 -0.209 0.000) 2.128 1.041 ( -13.503 1.572 0.000) 13.594 1.190 ( -2.793 -1.314 0.000) 3.087 1.525 ( -3.196 -1.060 0.000) 3.368 1.546 ( -9.635 3.421 0.000) 10.225 1.566 ( 0.131 -3.809 0.000) 3.811 1.654 ( -6.121 -0.442 0.000) 6.137 1.725 ( -5.989 -2.754 0.000) 6.592 1.762 ( 0.183 -1.005 0.000) 1.021 1.801 ( -3.130 -0.007 0.000) 3.130 1.827 ( 1.579 1.460 0.000) 2.150 1.875 ( 0.238 -0.380 0.000) 0.449 1.901 ( -0.576 0.665 0.000) 0.880 1.951 ( 1.292 0.934 0.000) 1.594 1.988 ( -0.602 2.514 0.000) 2.586 2.026 ( -1.586 0.795 0.000) 1.775 2.055 ( -2.733 2.654 0.000) 3.809 2.085 ( -0.931 -3.469 0.000) 3.592 2.125 ( 3.192 -0.164 0.000) 3.196 2.181 ( -2.559 2.367 0.000) 3.485 2.237 ( -0.927 -0.647 0.000) 1.130 2.303 ( -3.808 -0.174 0.000) 3.812 2.358 ( -0.896 0.011 0.000) 0.896 2.418 ( -3.852 -1.706 0.000) 4.213 2.467 ( 0.573 -1.674 0.000) 1.770 2.659 ( 0.323 7.494 0.000) 7.501 2.663 ( -0.273 4.363 0.000) 4.371 2.813 ( -1.482 -2.440 0.000) 2.855 2.821 ( -2.635 -1.026 0.000) 2.827 2.843 ( -0.303 -0.295 0.000) 0.423 3.086 ( 2.362 0.694 0.000) 2.462 3.112 ( 1.664 1.018 0.000) 1.951 3.565 ( -3.869 1.066 0.000) 4.014 3.584 ( -2.395 1.133 0.000) 2.649 3.621 ( -6.971 0.714 0.000) 7.007 3.933 ( -7.779 -9.326 0.000) 12.145 3.992 ( 1.673 -1.142 0.000) 2.025 4.029 ( -6.615 -6.446 0.000) 9.236 4.167 ( -0.215 -1.714 0.000) 1.728 4.188 ( -0.534 -0.501 0.000) 0.732 4.307 ( -1.418 2.149 0.000) 2.575 4.473 ( -0.213 1.080 0.000) 1.101 4.565 ( 0.545 -0.686 0.000) 0.876 4.690 ( 0.552 0.503 0.000) 0.746 4.690 ( -1.076 -2.060 0.000) 2.324 4.713 ( 2.814 -0.886 0.000) 2.950 4.735 ( 0.867 0.722 0.000) 1.128 4.838 ( 7.556 4.793 0.000) 8.948 4.866 ( 0.902 -1.389 0.000) 1.656 4.931 ( 2.324 2.023 0.000) 3.082 4.998 ( 4.007 1.328 0.000) 4.221 5.069 ( 2.461 1.911 0.000) 3.115 5.085 ( 1.300 0.124 0.000) 1.306 5.184 ( 0.258 0.611 0.000) 0.663 5.236 ( -1.847 0.155 0.000) 1.853 5.294 ( -0.607 -1.304 0.000) 1.438 5.310 ( -2.350 0.181 0.000) 2.357 5.361 ( -0.776 2.278 0.000) 2.406 5.446 ( -1.374 1.144 0.000) 1.788 5.482 ( -2.204 -0.589 0.000) 2.281 5.675 ( -2.728 -1.970 0.000) 3.365 5.705 ( -5.760 -7.952 0.000) 9.819 ======================= Grid point 24 (18/86) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.169 ( 0.000 14.854 0.000) 14.854 0.197 ( 0.000 17.669 0.000) 17.669 0.369 ( 0.000 32.886 0.000) 32.886 0.863 ( 0.000 0.499 0.000) 0.499 0.890 ( 0.000 6.967 0.000) 6.967 1.117 ( -0.000 -8.184 0.000) 8.184 1.158 ( 0.000 2.222 0.000) 2.222 1.359 ( 0.000 9.262 0.000) 9.262 1.509 ( -0.000 -1.360 0.000) 1.360 1.588 ( -0.000 -0.549 0.000) 0.549 1.590 ( -0.000 -2.946 0.000) 2.946 1.679 ( -0.000 -2.878 0.000) 2.878 1.771 ( -0.000 -1.811 0.000) 1.811 1.784 ( -0.000 -1.681 0.000) 1.681 1.833 ( 0.000 2.557 0.000) 2.557 1.862 ( 0.000 0.467 0.000) 0.467 1.900 ( 0.000 0.408 0.000) 0.408 1.971 ( 0.000 0.953 0.000) 0.953 1.971 ( 0.000 0.865 0.000) 0.865 2.003 ( 0.000 1.013 0.000) 1.013 2.020 ( 0.000 1.716 0.000) 1.716 2.090 ( -0.000 -1.970 0.000) 1.970 2.148 ( 0.000 1.033 0.000) 1.033 2.167 ( 0.000 0.465 0.000) 0.465 2.239 ( -0.000 -0.651 0.000) 0.651 2.251 ( 0.000 0.892 0.000) 0.892 2.350 ( 0.000 0.456 0.000) 0.456 2.382 ( -0.000 -2.792 0.000) 2.792 2.489 ( -0.000 -2.381 0.000) 2.381 2.637 ( 0.000 3.859 0.000) 3.859 2.675 ( 0.000 3.315 0.000) 3.315 2.799 ( -0.000 -0.322 0.000) 0.322 2.840 ( -0.000 -0.203 0.000) 0.203 2.928 ( -0.000 -3.715 0.000) 3.715 3.112 ( 0.000 0.189 0.000) 0.189 3.124 ( 0.000 0.822 0.000) 0.822 3.517 ( 0.000 0.732 0.000) 0.732 3.538 ( 0.000 0.672 0.000) 0.672 3.543 ( 0.000 0.501 0.000) 0.501 3.556 ( 0.000 0.909 0.000) 0.909 3.976 ( -0.000 -1.868 0.000) 1.868 4.018 ( -0.000 -1.189 0.000) 1.189 4.176 ( -0.000 -2.260 0.000) 2.260 4.195 ( 0.000 1.364 0.000) 1.364 4.279 ( 0.000 3.002 0.000) 3.002 4.471 ( 0.000 0.114 0.000) 0.114 4.574 ( -0.000 -0.528 0.000) 0.528 4.689 ( -0.000 -1.605 0.000) 1.605 4.692 ( 0.000 0.500 0.000) 0.500 4.744 ( 0.000 0.108 0.000) 0.108 4.745 ( -0.000 -0.205 0.000) 0.205 4.883 ( -0.000 -1.210 0.000) 1.210 4.935 ( -0.000 -1.498 0.000) 1.498 5.021 ( 0.000 3.814 0.000) 3.814 5.045 ( -0.000 -0.122 0.000) 0.122 5.096 ( 0.000 0.226 0.000) 0.226 5.097 ( -0.000 -0.101 0.000) 0.101 5.183 ( 0.000 0.363 0.000) 0.363 5.215 ( -0.000 -0.015 0.000) 0.015 5.284 ( 0.000 0.183 0.000) 0.183 5.293 ( -0.000 -2.416 0.000) 2.416 5.336 ( 0.000 1.891 0.000) 1.891 5.425 ( 0.000 1.628 0.000) 1.628 5.440 ( -0.000 -0.854 0.000) 0.854 5.559 ( 0.000 1.674 0.000) 1.674 5.658 ( -0.000 -1.477 0.000) 1.477 ======================= Grid point 27 (19/86) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 4.243 -0.000 0.000) 4.243 1.199 ( 9.292 -0.000 0.000) 9.292 1.304 ( 12.091 -0.000 0.000) 12.091 1.416 ( 10.925 -0.000 0.000) 10.925 1.506 ( -0.004 0.000 0.000) 0.004 1.638 ( -1.585 0.000 0.000) 1.585 1.659 ( 5.712 -0.000 0.000) 5.712 1.682 ( 3.235 -0.000 0.000) 3.235 1.695 ( 3.082 -0.000 0.000) 3.082 1.723 ( -0.910 0.000 0.000) 0.910 1.729 ( -0.661 0.000 0.000) 0.661 1.767 ( 0.787 -0.000 0.000) 0.787 1.779 ( -1.624 0.000 0.000) 1.624 1.857 ( 0.714 -0.000 0.000) 0.714 1.951 ( -1.038 0.000 0.000) 1.038 1.976 ( 0.561 -0.000 0.000) 0.561 2.061 ( -1.387 0.000 0.000) 1.387 2.064 ( 2.015 -0.000 0.000) 2.015 2.094 ( -0.448 0.000 0.000) 0.448 2.152 ( 0.614 -0.000 0.000) 0.614 2.194 ( -3.782 0.000 0.000) 3.782 2.272 ( 1.532 -0.000 0.000) 1.532 2.347 ( -4.431 0.000 0.000) 4.431 2.347 ( 1.952 -0.000 0.000) 1.952 2.415 ( -4.008 0.000 0.000) 4.008 2.427 ( 1.579 -0.000 0.000) 1.579 2.514 ( 2.526 -0.000 0.000) 2.526 2.642 ( 4.861 -0.000 0.000) 4.861 2.643 ( -1.226 0.000 0.000) 1.226 2.745 ( -4.919 0.000 0.000) 4.919 2.843 ( -0.781 0.000 0.000) 0.781 2.901 ( 13.059 -0.000 0.000) 13.059 2.903 ( 11.974 -0.000 0.000) 11.974 3.030 ( 3.651 -0.000 0.000) 3.651 3.036 ( 8.206 -0.000 0.000) 8.206 3.075 ( 8.507 -0.000 0.000) 8.507 3.737 ( 2.829 -0.000 0.000) 2.829 3.761 ( 3.178 -0.000 0.000) 3.178 3.784 ( -2.294 0.000 0.000) 2.294 3.893 ( -3.006 0.000 0.000) 3.006 3.902 ( -0.537 0.000 0.000) 0.537 4.053 ( -1.092 0.000 0.000) 1.092 4.218 ( -2.988 0.000 0.000) 2.988 4.266 ( -3.587 0.000 0.000) 3.587 4.444 ( 1.990 -0.000 0.000) 1.990 4.460 ( 1.212 -0.000 0.000) 1.212 4.552 ( 1.902 -0.000 0.000) 1.902 4.648 ( 0.852 -0.000 0.000) 0.852 4.701 ( 2.181 -0.000 0.000) 2.181 4.735 ( 3.545 -0.000 0.000) 3.545 4.747 ( 1.653 -0.000 0.000) 1.653 4.825 ( -0.015 0.000 0.000) 0.015 4.830 ( 0.792 -0.000 0.000) 0.792 4.861 ( -0.117 0.000 0.000) 0.117 4.918 ( 4.194 -0.000 0.000) 4.194 4.968 ( -1.537 0.000 0.000) 1.537 4.973 ( 0.022 -0.000 0.000) 0.022 5.103 ( -2.097 0.000 0.000) 2.097 5.237 ( -1.530 0.000 0.000) 1.530 5.310 ( -1.391 0.000 0.000) 1.391 5.385 ( 0.698 -0.000 0.000) 0.698 5.436 ( -0.302 0.000 0.000) 0.302 5.652 ( 2.203 -0.000 0.000) 2.203 5.688 ( 3.530 -0.000 0.000) 3.530 5.818 ( -0.995 0.000 0.000) 0.995 5.843 ( 0.189 -0.000 0.000) 0.189 ======================= Grid point 28 (20/86) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 2.009 -0.404 0.000) 2.049 1.340 ( 5.187 -0.038 0.000) 5.187 1.457 ( 2.839 1.170 0.000) 3.071 1.487 ( -1.415 0.264 0.000) 1.439 1.554 ( 2.324 0.387 0.000) 2.356 1.639 ( 1.853 -0.014 0.000) 1.853 1.688 ( -1.126 0.100 0.000) 1.130 1.708 ( -1.067 1.022 0.000) 1.478 1.714 ( 0.974 3.577 0.000) 3.707 1.764 ( 3.479 -1.087 0.000) 3.645 1.777 ( 1.460 -0.312 0.000) 1.492 1.777 ( 2.408 -0.055 0.000) 2.409 1.796 ( 4.487 -1.061 0.000) 4.610 1.881 ( 1.669 1.186 0.000) 2.048 1.924 ( -1.432 -0.204 0.000) 1.446 2.005 ( 0.632 -0.329 0.000) 0.713 2.029 ( 0.868 0.253 0.000) 0.904 2.055 ( -2.896 -1.105 0.000) 3.100 2.100 ( 0.450 -0.203 0.000) 0.493 2.120 ( -2.854 0.218 0.000) 2.862 2.138 ( -2.128 -0.613 0.000) 2.215 2.166 ( -8.211 -1.058 0.000) 8.279 2.211 ( -6.988 -0.344 0.000) 6.996 2.311 ( -6.041 0.200 0.000) 6.044 2.342 ( -3.072 0.119 0.000) 3.074 2.464 ( 3.117 0.382 0.000) 3.140 2.536 ( 0.133 -0.361 0.000) 0.385 2.623 ( -0.617 0.152 0.000) 0.635 2.691 ( 1.161 0.287 0.000) 1.196 2.755 ( 1.697 -0.661 0.000) 1.821 2.840 ( 1.676 -0.051 0.000) 1.677 2.999 ( 1.365 0.230 0.000) 1.385 3.133 ( 8.983 -0.130 0.000) 8.984 3.185 ( 7.418 1.074 0.000) 7.496 3.195 ( 6.769 -0.569 0.000) 6.793 3.244 ( 7.476 0.486 0.000) 7.492 3.738 ( -1.920 -0.288 0.000) 1.941 3.806 ( 3.856 -0.743 0.000) 3.927 3.816 ( 2.130 -0.044 0.000) 2.131 3.835 ( -2.538 -0.466 0.000) 2.581 3.894 ( 0.039 0.030 0.000) 0.049 4.043 ( 0.447 -0.209 0.000) 0.493 4.145 ( -3.967 0.672 0.000) 4.023 4.195 ( -3.400 0.323 0.000) 3.416 4.457 ( -0.498 0.918 0.000) 1.045 4.490 ( 1.604 -0.823 0.000) 1.803 4.599 ( 2.850 0.946 0.000) 3.003 4.644 ( -1.243 -0.678 0.000) 1.416 4.752 ( 2.605 -0.015 0.000) 2.605 4.790 ( 1.826 0.127 0.000) 1.831 4.792 ( 2.277 -0.078 0.000) 2.278 4.831 ( 0.638 -0.314 0.000) 0.711 4.846 ( 0.714 0.472 0.000) 0.856 4.858 ( -0.423 -0.312 0.000) 0.526 4.953 ( 0.217 -0.018 0.000) 0.218 4.981 ( 1.477 0.458 0.000) 1.547 4.988 ( 2.019 -0.343 0.000) 2.047 5.055 ( -2.799 0.193 0.000) 2.806 5.201 ( -1.996 0.323 0.000) 2.022 5.277 ( -1.837 0.347 0.000) 1.869 5.390 ( 0.069 0.114 0.000) 0.133 5.416 ( -1.515 -0.075 0.000) 1.517 5.677 ( 0.463 0.161 0.000) 0.490 5.734 ( 1.228 0.005 0.000) 1.228 5.790 ( -1.606 0.495 0.000) 1.681 5.832 ( -1.067 0.407 0.000) 1.142 ======================= Grid point 29 (21/86) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.991 -0.425 0.000) 1.078 1.395 ( 0.431 0.184 0.000) 0.468 1.442 ( -1.639 1.105 0.000) 1.976 1.453 ( -2.032 2.023 0.000) 2.867 1.570 ( 0.408 0.052 0.000) 0.411 1.618 ( -9.130 -2.732 0.000) 9.530 1.622 ( -5.007 0.354 0.000) 5.019 1.663 ( -0.332 -0.469 0.000) 0.575 1.677 ( -0.513 -0.323 0.000) 0.607 1.774 ( 0.735 0.677 0.000) 0.999 1.841 ( -1.420 -0.020 0.000) 1.420 1.846 ( 1.601 0.904 0.000) 1.839 1.861 ( 0.701 -0.293 0.000) 0.760 1.913 ( 0.936 2.046 0.000) 2.250 1.946 ( 3.135 -0.183 0.000) 3.141 1.964 ( -0.862 -1.968 0.000) 2.148 2.016 ( -2.430 -0.883 0.000) 2.586 2.031 ( -1.867 -0.342 0.000) 1.898 2.066 ( -1.368 -0.035 0.000) 1.369 2.109 ( 1.675 0.142 0.000) 1.681 2.111 ( 2.538 -0.902 0.000) 2.693 2.151 ( 7.606 0.178 0.000) 7.608 2.199 ( -0.714 0.159 0.000) 0.732 2.202 ( -0.390 -0.138 0.000) 0.414 2.288 ( -1.050 0.375 0.000) 1.115 2.504 ( 0.973 0.796 0.000) 1.257 2.544 ( 0.086 -0.288 0.000) 0.300 2.613 ( -0.561 -0.078 0.000) 0.566 2.728 ( -1.218 0.535 0.000) 1.331 2.744 ( 1.660 -0.205 0.000) 1.672 2.878 ( 0.772 -0.147 0.000) 0.785 3.005 ( -0.911 -0.006 0.000) 0.911 3.224 ( 0.185 -0.007 0.000) 0.185 3.242 ( -0.826 0.100 0.000) 0.832 3.252 ( -1.612 0.011 0.000) 1.612 3.304 ( -1.713 0.086 0.000) 1.716 3.731 ( 1.084 -0.080 0.000) 1.087 3.803 ( -0.061 -0.024 0.000) 0.066 3.857 ( 1.530 -0.222 0.000) 1.546 3.860 ( 0.749 -0.146 0.000) 0.763 3.935 ( 4.410 -0.607 0.000) 4.451 4.062 ( -3.929 1.222 0.000) 4.115 4.081 ( 3.251 -0.481 0.000) 3.286 4.135 ( -2.421 0.838 0.000) 2.562 4.431 ( -2.072 -0.599 0.000) 2.156 4.517 ( 0.894 0.153 0.000) 0.907 4.593 ( -3.042 0.015 0.000) 3.042 4.658 ( 2.015 -0.153 0.000) 2.020 4.779 ( -0.244 -0.231 0.000) 0.336 4.801 ( -0.488 0.130 0.000) 0.505 4.817 ( -0.354 -0.068 0.000) 0.360 4.838 ( -0.597 0.214 0.000) 0.634 4.859 ( 0.092 -0.251 0.000) 0.267 4.859 ( 2.029 0.097 0.000) 2.032 4.973 ( 1.076 0.465 0.000) 1.172 4.998 ( -1.173 -0.024 0.000) 1.173 4.999 ( -2.162 -0.475 0.000) 2.213 5.003 ( 0.542 -0.020 0.000) 0.542 5.165 ( -1.362 -0.022 0.000) 1.362 5.241 ( -1.607 -0.023 0.000) 1.607 5.386 ( -0.849 0.170 0.000) 0.866 5.399 ( 0.612 -0.180 0.000) 0.638 5.674 ( -0.650 -0.003 0.000) 0.650 5.742 ( -0.173 -0.090 0.000) 0.195 5.757 ( -1.526 0.121 0.000) 1.530 5.805 ( -1.364 0.140 0.000) 1.372 ======================= Grid point 30 (22/86) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -0.152 0.175 0.000) 0.232 1.340 ( -7.590 -0.978 0.000) 7.653 1.358 ( -3.859 0.735 0.000) 3.928 1.434 ( -1.331 -0.604 0.000) 1.461 1.489 ( -6.803 -1.649 0.000) 7.000 1.498 ( -3.089 -4.303 0.000) 5.297 1.594 ( -0.317 -1.799 0.000) 1.827 1.654 ( -0.651 0.493 0.000) 0.817 1.692 ( 1.680 -0.141 0.000) 1.686 1.727 ( -6.930 -0.896 0.000) 6.988 1.802 ( -3.063 -0.514 0.000) 3.106 1.804 ( -3.598 0.813 0.000) 3.689 1.826 ( -1.887 0.949 0.000) 2.113 1.852 ( -1.071 0.647 0.000) 1.251 1.949 ( -1.943 0.388 0.000) 1.981 1.957 ( -2.147 -0.772 0.000) 2.282 2.023 ( 1.131 -1.249 0.000) 1.685 2.094 ( 4.774 -0.451 0.000) 4.795 2.121 ( -0.044 0.254 0.000) 0.258 2.125 ( 4.221 1.205 0.000) 4.390 2.177 ( 4.259 -0.824 0.000) 4.338 2.262 ( 8.554 1.140 0.000) 8.629 2.280 ( 2.311 1.095 0.000) 2.557 2.282 ( 6.219 -0.622 0.000) 6.250 2.353 ( 9.805 2.405 0.000) 10.096 2.486 ( -2.379 0.936 0.000) 2.556 2.543 ( 0.046 -0.783 0.000) 0.784 2.599 ( -1.098 -0.528 0.000) 1.218 2.686 ( -1.296 0.366 0.000) 1.347 2.788 ( 1.891 0.041 0.000) 1.891 2.856 ( -3.298 0.294 0.000) 3.311 2.942 ( -6.647 -1.530 0.000) 6.820 3.154 ( -6.526 0.001 0.000) 6.526 3.160 ( -7.252 0.164 0.000) 7.253 3.177 ( -4.567 -0.674 0.000) 4.616 3.187 ( -9.775 -0.455 0.000) 9.785 3.767 ( 2.281 0.314 0.000) 2.303 3.819 ( 0.989 -0.048 0.000) 0.990 3.862 ( -0.218 0.271 0.000) 0.347 3.881 ( 1.053 0.549 0.000) 1.187 3.958 ( -3.083 2.925 0.000) 4.250 4.063 ( 5.613 -1.630 0.000) 5.844 4.090 ( -1.463 1.347 0.000) 1.989 4.168 ( 5.124 -0.110 0.000) 5.125 4.384 ( -3.276 -1.485 0.000) 3.597 4.521 ( -4.362 -1.391 0.000) 4.579 4.523 ( -0.132 0.106 0.000) 0.169 4.678 ( -0.183 0.372 0.000) 0.415 4.751 ( -2.459 -0.101 0.000) 2.461 4.778 ( -1.841 -0.221 0.000) 1.854 4.780 ( -2.725 -0.790 0.000) 2.837 4.832 ( -0.650 0.191 0.000) 0.678 4.861 ( 0.201 -0.203 0.000) 0.285 4.876 ( -0.867 1.074 0.000) 1.380 4.953 ( -3.047 -0.511 0.000) 3.090 4.957 ( 0.311 0.084 0.000) 0.322 4.996 ( -1.199 0.009 0.000) 1.199 5.026 ( 2.427 -0.688 0.000) 2.523 5.153 ( -0.080 -0.978 0.000) 0.981 5.224 ( -0.297 -1.179 0.000) 1.215 5.377 ( -0.106 -0.204 0.000) 0.230 5.421 ( 1.300 0.019 0.000) 1.300 5.657 ( -1.220 -0.402 0.000) 1.284 5.730 ( -1.498 -1.010 0.000) 1.807 5.733 ( -0.924 -0.041 0.000) 0.925 5.779 ( -1.533 -0.966 0.000) 1.812 ======================= Grid point 31 (23/86) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -6.443 0.641 0.000) 6.475 1.233 ( -3.779 -3.304 0.000) 5.019 1.251 ( -6.040 1.852 0.000) 6.317 1.367 ( -7.305 -1.946 0.000) 7.559 1.385 ( -3.158 -1.618 0.000) 3.549 1.537 ( 2.790 -3.730 0.000) 4.658 1.575 ( -2.495 -1.372 0.000) 2.847 1.586 ( -7.916 -3.456 0.000) 8.638 1.613 ( -5.021 -2.009 0.000) 5.408 1.694 ( -5.729 -0.513 0.000) 5.752 1.729 ( -0.061 1.002 0.000) 1.004 1.745 ( 1.021 1.499 0.000) 1.814 1.825 ( -0.215 0.759 0.000) 0.788 1.848 ( 1.819 1.051 0.000) 2.101 1.929 ( -0.138 -1.157 0.000) 1.165 1.946 ( 0.206 -1.262 0.000) 1.278 2.023 ( -1.863 -1.579 0.000) 2.442 2.118 ( 0.068 1.472 0.000) 1.473 2.146 ( -0.735 1.274 0.000) 1.471 2.182 ( 3.228 -0.433 0.000) 3.256 2.240 ( 1.237 2.342 0.000) 2.649 2.335 ( 1.857 -1.448 0.000) 2.355 2.360 ( 3.689 -0.529 0.000) 3.727 2.395 ( -3.666 1.446 0.000) 3.941 2.450 ( -0.375 3.657 0.000) 3.677 2.458 ( 5.821 3.299 0.000) 6.691 2.552 ( -0.427 0.823 0.000) 0.927 2.574 ( -1.042 -1.488 0.000) 1.817 2.717 ( -3.366 0.344 0.000) 3.384 2.756 ( 0.903 0.072 0.000) 0.906 2.781 ( -10.138 -6.211 0.000) 11.890 2.821 ( 2.360 -0.754 0.000) 2.477 2.950 ( -13.012 2.206 0.000) 13.197 2.992 ( -8.095 1.816 0.000) 8.296 3.028 ( -5.791 -1.419 0.000) 5.963 3.108 ( -2.823 0.212 0.000) 2.831 3.803 ( 1.168 0.206 0.000) 1.186 3.816 ( -1.369 1.089 0.000) 1.750 3.835 ( -2.106 2.558 0.000) 3.313 3.901 ( 1.453 0.229 0.000) 1.471 3.904 ( -0.384 0.655 0.000) 0.759 4.065 ( -0.509 0.565 0.000) 0.760 4.194 ( 6.146 -0.321 0.000) 6.154 4.260 ( 3.315 0.682 0.000) 3.385 4.327 ( -2.855 -2.296 0.000) 3.664 4.463 ( -1.702 -2.436 0.000) 2.972 4.508 ( -1.553 0.148 0.000) 1.560 4.657 ( -1.196 0.113 0.000) 1.201 4.696 ( -3.034 -0.429 0.000) 3.065 4.732 ( -2.943 -0.162 0.000) 2.948 4.733 ( -2.845 -1.646 0.000) 3.287 4.806 ( -1.614 -0.006 0.000) 1.614 4.839 ( -1.653 0.306 0.000) 1.681 4.864 ( -0.578 0.113 0.000) 0.589 4.907 ( -0.965 -0.031 0.000) 0.965 4.975 ( -0.545 -0.235 0.000) 0.594 4.982 ( 1.900 0.733 0.000) 2.036 5.081 ( 2.831 -0.482 0.000) 2.871 5.174 ( 1.357 -1.829 0.000) 2.278 5.246 ( 1.677 -2.034 0.000) 2.636 5.374 ( -0.691 -0.291 0.000) 0.750 5.439 ( 0.310 0.005 0.000) 0.310 5.625 ( -2.452 -0.542 0.000) 2.511 5.695 ( -3.101 0.488 0.000) 3.140 5.710 ( -1.746 -2.895 0.000) 3.380 5.760 ( -1.488 -2.527 0.000) 2.932 ======================= Grid point 32 (24/86) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -8.325 2.633 0.000) 8.731 1.101 ( -8.161 4.687 0.000) 9.411 1.173 ( -3.508 1.965 0.000) 4.021 1.223 ( -7.053 1.606 0.000) 7.234 1.328 ( -4.559 -2.248 0.000) 5.083 1.478 ( -8.884 -3.187 0.000) 9.438 1.484 ( -6.034 -7.395 0.000) 9.544 1.537 ( -3.203 -3.208 0.000) 4.533 1.575 ( -2.313 -0.524 0.000) 2.372 1.641 ( 1.116 -3.994 0.000) 4.147 1.713 ( -0.490 -0.350 0.000) 0.602 1.780 ( 2.283 2.549 0.000) 3.422 1.844 ( 1.979 0.774 0.000) 2.125 1.863 ( 0.057 1.305 0.000) 1.306 1.942 ( 0.445 -1.247 0.000) 1.324 1.955 ( -3.964 -3.753 0.000) 5.459 1.978 ( -0.438 -0.146 0.000) 0.462 2.086 ( -4.722 0.817 0.000) 4.792 2.096 ( -1.358 2.450 0.000) 2.801 2.204 ( -3.196 3.484 0.000) 4.728 2.210 ( -1.903 -0.739 0.000) 2.042 2.287 ( -5.068 1.958 0.000) 5.433 2.300 ( -8.767 5.087 0.000) 10.136 2.319 ( -8.910 -0.252 0.000) 8.914 2.374 ( -1.780 0.344 0.000) 1.813 2.438 ( 0.458 -1.066 0.000) 1.160 2.489 ( -10.024 -2.609 0.000) 10.358 2.548 ( -8.126 -3.013 0.000) 8.667 2.576 ( -4.202 3.720 0.000) 5.612 2.704 ( 1.286 1.644 0.000) 2.087 2.751 ( -2.030 2.064 0.000) 2.895 2.797 ( -0.348 -1.538 0.000) 1.577 2.884 ( -1.234 -0.423 0.000) 1.304 2.907 ( -0.511 -0.355 0.000) 0.623 2.995 ( 3.632 0.375 0.000) 3.652 3.064 ( -0.732 1.198 0.000) 1.403 3.757 ( -3.276 2.513 0.000) 4.129 3.758 ( -3.213 2.480 0.000) 4.059 3.816 ( -0.700 0.623 0.000) 0.937 3.918 ( 1.241 -0.439 0.000) 1.317 3.930 ( 1.006 -0.989 0.000) 1.411 4.059 ( -0.528 -1.079 0.000) 1.201 4.205 ( -3.756 -1.338 0.000) 3.988 4.253 ( -3.445 -1.645 0.000) 3.817 4.395 ( 6.974 -0.119 0.000) 6.975 4.457 ( -2.900 0.945 0.000) 3.050 4.500 ( 3.161 -0.240 0.000) 3.170 4.642 ( -3.420 -1.610 0.000) 3.780 4.659 ( 2.049 -0.236 0.000) 2.062 4.684 ( -1.130 0.183 0.000) 1.145 4.693 ( -1.984 -1.878 0.000) 2.732 4.775 ( -2.146 -1.413 0.000) 2.569 4.820 ( -0.373 -0.638 0.000) 0.739 4.849 ( 0.812 1.150 0.000) 1.408 4.919 ( 1.675 1.623 0.000) 2.332 4.989 ( 2.065 -0.048 0.000) 2.065 5.017 ( 2.185 0.934 0.000) 2.377 5.136 ( 2.509 -0.172 0.000) 2.514 5.218 ( 1.932 -1.720 0.000) 2.587 5.307 ( 3.569 -1.024 0.000) 3.713 5.348 ( -2.144 -0.306 0.000) 2.166 5.427 ( -1.591 0.149 0.000) 1.598 5.569 ( -3.419 -0.795 0.000) 3.510 5.611 ( -4.975 0.569 0.000) 5.008 5.693 ( -2.227 -4.778 0.000) 5.272 5.740 ( -2.436 -3.081 0.000) 3.927 ======================= Grid point 33 (25/86) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -7.271 8.903 0.000) 11.495 0.870 ( -11.373 8.445 0.000) 14.166 1.085 ( -3.920 1.657 0.000) 4.256 1.099 ( -3.650 5.862 0.000) 6.906 1.242 ( -4.479 -0.020 0.000) 4.479 1.293 ( -12.062 -2.790 0.000) 12.381 1.349 ( -11.933 -1.705 0.000) 12.054 1.507 ( -1.962 -4.708 0.000) 5.100 1.547 ( -1.561 -1.199 0.000) 1.968 1.663 ( -2.805 -2.821 0.000) 3.978 1.707 ( -1.093 -1.973 0.000) 2.255 1.805 ( 1.419 3.756 0.000) 4.016 1.817 ( -5.261 -0.235 0.000) 5.266 1.844 ( -2.448 2.023 0.000) 3.176 1.868 ( -3.755 -3.548 0.000) 5.166 1.947 ( -0.078 -0.026 0.000) 0.082 1.950 ( -5.147 2.617 0.000) 5.774 1.992 ( -3.593 2.648 0.000) 4.463 2.039 ( -2.736 -1.352 0.000) 3.052 2.081 ( -3.854 3.868 0.000) 5.460 2.092 ( -5.118 0.234 0.000) 5.123 2.111 ( -3.558 1.801 0.000) 3.988 2.198 ( -6.263 3.131 0.000) 7.002 2.249 ( -2.176 -2.075 0.000) 3.007 2.280 ( -5.487 -0.565 0.000) 5.516 2.362 ( -1.962 -1.949 0.000) 2.766 2.382 ( -6.628 -1.233 0.000) 6.741 2.459 ( 0.457 1.912 0.000) 1.966 2.503 ( -1.890 4.304 0.000) 4.700 2.722 ( 0.855 2.468 0.000) 2.612 2.754 ( -0.231 0.865 0.000) 0.895 2.785 ( -2.975 -4.152 0.000) 5.108 2.836 ( -1.596 -1.564 0.000) 2.235 2.873 ( -3.592 -0.379 0.000) 3.612 3.067 ( 3.444 2.885 0.000) 4.493 3.085 ( 2.726 1.046 0.000) 2.920 3.673 ( -4.145 2.082 0.000) 4.639 3.676 ( -3.633 2.500 0.000) 4.410 3.760 ( -5.079 0.468 0.000) 5.100 3.931 ( -2.712 -3.367 0.000) 4.324 3.946 ( 1.106 -1.042 0.000) 1.520 4.045 ( -2.801 -3.069 0.000) 4.155 4.155 ( -1.388 -1.256 0.000) 1.872 4.194 ( -2.410 -1.688 0.000) 2.942 4.376 ( -3.094 1.529 0.000) 3.451 4.511 ( 2.063 2.720 0.000) 3.414 4.540 ( 1.048 -0.254 0.000) 1.078 4.615 ( 1.609 -3.142 0.000) 3.530 4.671 ( -1.160 -2.828 0.000) 3.057 4.683 ( 0.577 -0.069 0.000) 0.581 4.728 ( 0.851 0.168 0.000) 0.867 4.767 ( 4.224 0.795 0.000) 4.298 4.828 ( 0.628 -1.027 0.000) 1.203 4.898 ( 4.598 1.383 0.000) 4.801 4.942 ( 1.634 1.436 0.000) 2.175 5.047 ( 3.957 1.905 0.000) 4.392 5.055 ( 2.125 0.606 0.000) 2.210 5.176 ( 1.559 0.190 0.000) 1.570 5.257 ( 1.010 -0.594 0.000) 1.171 5.299 ( -2.772 -0.690 0.000) 2.857 5.376 ( -3.285 0.403 0.000) 3.310 5.380 ( 3.533 1.797 0.000) 3.964 5.510 ( -4.613 0.375 0.000) 4.628 5.513 ( -2.875 -1.315 0.000) 3.162 5.673 ( -2.883 -5.679 0.000) 6.369 5.698 ( -3.414 -2.910 0.000) 4.486 ======================= Grid point 34 (26/86) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -9.688 11.551 0.000) 15.076 0.595 ( -10.058 12.988 0.000) 16.427 0.986 ( -7.037 3.006 0.000) 7.653 0.998 ( -11.211 8.176 0.000) 13.875 1.041 ( -4.197 6.359 0.000) 7.619 1.082 ( -5.932 6.179 0.000) 8.566 1.206 ( -0.253 4.220 0.000) 4.228 1.509 ( -2.592 -1.322 0.000) 2.909 1.513 ( -0.519 -5.589 0.000) 5.613 1.562 ( -7.640 -1.048 0.000) 7.712 1.645 ( -6.090 -0.939 0.000) 6.162 1.690 ( -7.109 -3.530 0.000) 7.938 1.757 ( -0.589 -0.119 0.000) 0.601 1.821 ( -3.336 3.677 0.000) 4.965 1.845 ( 1.889 2.020 0.000) 2.766 1.874 ( -0.109 0.081 0.000) 0.135 1.908 ( -1.563 0.873 0.000) 1.790 1.961 ( 1.483 0.728 0.000) 1.652 2.017 ( -1.251 2.597 0.000) 2.883 2.037 ( -1.206 1.329 0.000) 1.795 2.046 ( -0.231 -3.352 0.000) 3.360 2.087 ( -2.741 3.059 0.000) 4.107 2.119 ( 3.301 -0.930 0.000) 3.429 2.203 ( -2.446 1.444 0.000) 2.840 2.226 ( -1.820 -1.477 0.000) 2.344 2.300 ( -3.054 -0.552 0.000) 3.103 2.344 ( -1.110 -1.328 0.000) 1.731 2.433 ( -3.092 3.393 0.000) 4.590 2.459 ( 0.249 0.455 0.000) 0.519 2.709 ( -0.265 3.264 0.000) 3.275 2.720 ( -0.093 3.368 0.000) 3.369 2.767 ( -0.989 -5.972 0.000) 6.053 2.810 ( -2.478 -0.749 0.000) 2.589 2.838 ( 0.373 -0.630 0.000) 0.732 3.102 ( 1.914 2.263 0.000) 2.964 3.125 ( 1.882 1.420 0.000) 2.357 3.580 ( -3.899 1.608 0.000) 4.217 3.600 ( -2.659 1.695 0.000) 3.153 3.631 ( -6.710 0.886 0.000) 6.768 3.827 ( -13.405 -8.380 0.000) 15.809 3.974 ( 0.892 -2.057 0.000) 2.242 3.977 ( -4.499 -3.547 0.000) 5.729 4.156 ( 0.300 -0.372 0.000) 0.478 4.197 ( 1.757 1.222 0.000) 2.140 4.325 ( -1.303 1.314 0.000) 1.850 4.490 ( -0.863 1.687 0.000) 1.895 4.557 ( 0.479 -0.739 0.000) 0.881 4.668 ( -0.573 -1.962 0.000) 2.044 4.695 ( 0.556 0.265 0.000) 0.617 4.698 ( 3.415 -1.679 0.000) 3.805 4.728 ( -0.188 -1.627 0.000) 1.638 4.851 ( 0.920 -1.053 0.000) 1.398 4.876 ( 6.328 2.600 0.000) 6.842 4.961 ( 3.081 2.697 0.000) 4.094 5.006 ( 5.358 0.241 0.000) 5.363 5.086 ( 1.087 0.109 0.000) 1.092 5.098 ( 2.074 2.926 0.000) 3.586 5.192 ( 0.269 0.625 0.000) 0.681 5.238 ( -2.040 0.157 0.000) 2.046 5.277 ( -1.046 -1.569 0.000) 1.886 5.313 ( -2.529 0.306 0.000) 2.547 5.388 ( -1.313 2.362 0.000) 2.703 5.465 ( 0.533 2.290 0.000) 2.351 5.467 ( -3.088 -2.219 0.000) 3.802 5.639 ( -3.655 -3.720 0.000) 5.215 5.650 ( -2.627 -2.410 0.000) 3.565 ======================= Grid point 35 (27/86) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 0.000 13.302 0.000) 13.302 0.391 ( 0.000 17.225 0.000) 17.225 0.723 ( 0.000 30.473 0.000) 30.473 0.871 ( 0.000 0.820 0.000) 0.820 0.993 ( 0.000 10.815 0.000) 10.815 1.040 ( -0.000 -5.256 0.000) 5.256 1.193 ( 0.000 4.011 0.000) 4.011 1.445 ( 0.000 5.243 0.000) 5.243 1.490 ( -0.000 -1.965 0.000) 1.965 1.542 ( -0.000 -5.592 0.000) 5.592 1.580 ( -0.000 -0.897 0.000) 0.897 1.639 ( -0.000 -4.162 0.000) 4.162 1.760 ( -0.000 -0.513 0.000) 0.513 1.775 ( 0.000 0.864 0.000) 0.864 1.857 ( 0.000 1.902 0.000) 1.902 1.866 ( 0.000 0.093 0.000) 0.093 1.902 ( -0.000 -0.092 0.000) 0.092 1.981 ( 0.000 0.727 0.000) 0.727 1.986 ( 0.000 1.691 0.000) 1.691 2.018 ( 0.000 1.545 0.000) 1.545 2.047 ( 0.000 2.840 0.000) 2.840 2.065 ( -0.000 -2.249 0.000) 2.249 2.164 ( 0.000 1.677 0.000) 1.677 2.175 ( 0.000 1.027 0.000) 1.027 2.220 ( -0.000 -3.301 0.000) 3.301 2.263 ( 0.000 0.896 0.000) 0.896 2.334 ( -0.000 -2.029 0.000) 2.029 2.382 ( 0.000 2.172 0.000) 2.172 2.465 ( -0.000 -1.464 0.000) 1.464 2.685 ( 0.000 4.243 0.000) 4.243 2.709 ( 0.000 2.068 0.000) 2.068 2.792 ( -0.000 -0.869 0.000) 0.869 2.827 ( -0.000 -3.353 0.000) 3.353 2.878 ( -0.000 -3.897 0.000) 3.897 3.117 ( 0.000 0.994 0.000) 0.994 3.137 ( 0.000 1.494 0.000) 1.494 3.529 ( 0.000 1.253 0.000) 1.253 3.548 ( 0.000 1.196 0.000) 1.196 3.551 ( 0.000 0.945 0.000) 0.945 3.570 ( 0.000 1.520 0.000) 1.520 3.950 ( -0.000 -2.556 0.000) 2.556 3.997 ( -0.000 -2.412 0.000) 2.412 4.160 ( -0.000 -0.444 0.000) 0.444 4.213 ( 0.000 1.687 0.000) 1.687 4.306 ( 0.000 1.737 0.000) 1.737 4.476 ( 0.000 0.841 0.000) 0.841 4.566 ( -0.000 -0.819 0.000) 0.819 4.671 ( -0.000 -1.514 0.000) 1.514 4.699 ( 0.000 0.538 0.000) 0.538 4.737 ( -0.000 -1.480 0.000) 1.480 4.740 ( -0.000 -0.831 0.000) 0.831 4.868 ( -0.000 -1.297 0.000) 1.297 4.928 ( 0.000 0.226 0.000) 0.226 5.043 ( -0.000 -0.198 0.000) 0.198 5.064 ( 0.000 3.744 0.000) 3.744 5.096 ( -0.000 -0.156 0.000) 0.156 5.099 ( 0.000 0.367 0.000) 0.367 5.188 ( 0.000 0.602 0.000) 0.602 5.215 ( -0.000 -0.020 0.000) 0.020 5.260 ( -0.000 -3.209 0.000) 3.209 5.287 ( 0.000 0.312 0.000) 0.312 5.359 ( 0.000 1.962 0.000) 1.962 5.425 ( -0.000 -1.664 0.000) 1.664 5.454 ( 0.000 3.680 0.000) 3.680 5.583 ( 0.000 2.578 0.000) 2.578 5.637 ( -0.000 -2.226 0.000) 2.226 ======================= Grid point 40 (28/86) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 1.109 -0.000 0.000) 1.109 1.396 ( 0.507 -0.000 0.000) 0.507 1.448 ( -2.404 0.000 0.000) 2.404 1.467 ( -0.868 0.000 0.000) 0.868 1.571 ( 0.564 -0.000 0.000) 0.564 1.600 ( -11.326 0.000 0.000) 11.326 1.624 ( -6.736 0.000 0.000) 6.736 1.661 ( 0.797 -0.000 0.000) 0.797 1.675 ( -0.823 0.000 0.000) 0.823 1.779 ( 1.024 -0.000 0.000) 1.024 1.839 ( -2.040 0.000 0.000) 2.040 1.854 ( 1.731 -0.000 0.000) 1.731 1.858 ( 0.800 -0.000 0.000) 0.800 1.934 ( 5.689 -0.000 0.000) 5.689 1.944 ( 3.709 -0.000 0.000) 3.709 1.945 ( -5.750 0.000 0.000) 5.750 2.010 ( -1.982 0.000 0.000) 1.982 2.029 ( -2.162 0.000 0.000) 2.162 2.066 ( -2.143 0.000 0.000) 2.143 2.105 ( 2.781 -0.000 0.000) 2.781 2.110 ( 1.853 -0.000 0.000) 1.853 2.152 ( 8.889 -0.000 0.000) 8.889 2.201 ( 3.168 -0.000 0.000) 3.168 2.201 ( -4.417 0.000 0.000) 4.417 2.290 ( -1.133 0.000 0.000) 1.133 2.509 ( 0.933 -0.000 0.000) 0.933 2.542 ( 0.200 -0.000 0.000) 0.200 2.612 ( -0.645 0.000 0.000) 0.645 2.732 ( -2.404 0.000 0.000) 2.404 2.742 ( 2.926 -0.000 0.000) 2.926 2.877 ( 0.900 -0.000 0.000) 0.900 3.005 ( -1.053 0.000 0.000) 1.053 3.224 ( 0.203 -0.000 0.000) 0.203 3.242 ( -0.906 0.000 0.000) 0.906 3.252 ( -1.913 0.000 0.000) 1.913 3.305 ( -1.973 0.000 0.000) 1.973 3.730 ( 1.250 -0.000 0.000) 1.250 3.803 ( -0.077 0.000 0.000) 0.077 3.856 ( 1.770 -0.000 0.000) 1.770 3.859 ( 0.970 -0.000 0.000) 0.970 3.932 ( 4.577 -0.000 0.000) 4.577 4.069 ( -4.113 0.000 0.000) 4.113 4.079 ( 3.338 -0.000 0.000) 3.338 4.140 ( -2.367 0.000 0.000) 2.367 4.427 ( -2.319 0.000 0.000) 2.319 4.517 ( 0.950 -0.000 0.000) 0.950 4.593 ( -3.568 0.000 0.000) 3.568 4.657 ( 2.375 -0.000 0.000) 2.375 4.777 ( -0.271 0.000 0.000) 0.271 4.802 ( -0.569 0.000 0.000) 0.569 4.817 ( -0.416 0.000 0.000) 0.416 4.839 ( -0.771 0.000 0.000) 0.771 4.857 ( 0.188 -0.000 0.000) 0.188 4.860 ( 2.342 -0.000 0.000) 2.342 4.976 ( 1.892 -0.000 0.000) 1.892 4.996 ( -3.150 0.000 0.000) 3.150 4.998 ( -1.341 0.000 0.000) 1.341 5.003 ( 0.612 -0.000 0.000) 0.612 5.165 ( -1.569 0.000 0.000) 1.569 5.240 ( -1.853 0.000 0.000) 1.853 5.387 ( -1.151 0.000 0.000) 1.151 5.398 ( 0.879 -0.000 0.000) 0.879 5.673 ( -0.751 0.000 0.000) 0.751 5.742 ( -0.212 0.000 0.000) 0.212 5.758 ( -1.760 0.000 0.000) 1.760 5.806 ( -1.562 0.000 0.000) 1.562 ======================= Grid point 41 (29/86) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.053 -0.067 0.000) 0.086 1.336 ( -10.397 -0.053 0.000) 10.397 1.364 ( -3.448 0.369 0.000) 3.467 1.431 ( -2.613 -0.004 0.000) 2.613 1.462 ( -0.579 -1.878 0.000) 1.965 1.476 ( -7.820 -0.702 0.000) 7.851 1.580 ( -0.082 -0.648 0.000) 0.653 1.658 ( -1.242 0.231 0.000) 1.264 1.691 ( 2.250 -0.088 0.000) 2.251 1.720 ( -8.347 -0.363 0.000) 8.355 1.798 ( -1.896 -0.240 0.000) 1.911 1.811 ( -3.373 0.330 0.000) 3.389 1.835 ( -2.533 0.524 0.000) 2.587 1.857 ( -0.750 0.220 0.000) 0.782 1.951 ( -2.155 -0.251 0.000) 2.170 1.952 ( -2.830 0.124 0.000) 2.832 2.012 ( 1.250 -0.552 0.000) 1.367 2.091 ( 5.361 -0.166 0.000) 5.364 2.123 ( -0.044 0.073 0.000) 0.085 2.139 ( 5.898 1.235 0.000) 6.026 2.162 ( 3.166 -1.393 0.000) 3.458 2.271 ( 6.176 0.480 0.000) 6.195 2.277 ( 9.003 -0.274 0.000) 9.007 2.290 ( 0.971 0.515 0.000) 1.099 2.375 ( 12.756 1.130 0.000) 12.806 2.493 ( -2.523 0.317 0.000) 2.543 2.535 ( -0.890 -0.468 0.000) 1.006 2.595 ( -1.272 -0.196 0.000) 1.287 2.689 ( -1.449 0.185 0.000) 1.461 2.788 ( 1.649 -0.010 0.000) 1.649 2.858 ( -3.169 0.081 0.000) 3.170 2.930 ( -7.853 -0.593 0.000) 7.875 3.152 ( -6.948 -0.198 0.000) 6.951 3.162 ( -6.820 0.108 0.000) 6.821 3.171 ( -4.529 -0.275 0.000) 4.538 3.186 ( -9.202 0.059 0.000) 9.202 3.769 ( 2.269 0.084 0.000) 2.271 3.819 ( 1.041 -0.029 0.000) 1.042 3.864 ( -0.029 0.080 0.000) 0.086 3.884 ( 1.187 0.155 0.000) 1.197 3.984 ( -3.834 1.409 0.000) 4.084 4.049 ( 6.623 -0.803 0.000) 6.671 4.101 ( -1.549 0.552 0.000) 1.644 4.168 ( 5.588 0.015 0.000) 5.588 4.372 ( -3.456 -0.591 0.000) 3.506 4.510 ( -4.816 -0.525 0.000) 4.845 4.524 ( -0.277 0.001 0.000) 0.277 4.680 ( -0.105 0.148 0.000) 0.182 4.750 ( -2.372 -0.052 0.000) 2.373 4.774 ( -3.184 -0.361 0.000) 3.204 4.776 ( -1.966 -0.076 0.000) 1.968 4.833 ( -0.574 0.091 0.000) 0.581 4.860 ( 0.266 -0.096 0.000) 0.283 4.885 ( -0.987 0.438 0.000) 1.080 4.949 ( -3.150 -0.192 0.000) 3.156 4.957 ( 0.420 0.033 0.000) 0.421 4.996 ( -1.236 -0.004 0.000) 1.236 5.020 ( 2.527 -0.287 0.000) 2.543 5.146 ( -0.401 -0.353 0.000) 0.534 5.214 ( -0.703 -0.443 0.000) 0.831 5.376 ( -0.169 -0.071 0.000) 0.183 5.421 ( 1.302 -0.001 0.000) 1.302 5.654 ( -1.305 -0.148 0.000) 1.314 5.723 ( -1.984 -0.347 0.000) 2.014 5.733 ( -0.687 -0.024 0.000) 0.688 5.772 ( -2.130 -0.338 0.000) 2.157 ======================= Grid point 42 (30/86) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -6.229 1.405 0.000) 6.386 1.189 ( -3.401 -4.184 0.000) 5.392 1.270 ( -5.260 1.574 0.000) 5.491 1.346 ( -6.308 -1.680 0.000) 6.528 1.385 ( -2.268 1.120 0.000) 2.530 1.499 ( 2.733 -2.936 0.000) 4.011 1.556 ( -8.850 -2.004 0.000) 9.074 1.563 ( -2.417 -0.806 0.000) 2.548 1.596 ( -6.022 -1.036 0.000) 6.110 1.690 ( -6.189 -0.182 0.000) 6.192 1.738 ( 0.957 0.641 0.000) 1.152 1.760 ( 0.308 1.133 0.000) 1.174 1.832 ( -0.559 0.357 0.000) 0.663 1.861 ( 2.384 1.071 0.000) 2.614 1.916 ( -0.547 -0.952 0.000) 1.098 1.933 ( -0.479 -1.021 0.000) 1.128 2.009 ( -1.783 -0.877 0.000) 1.987 2.131 ( 0.754 0.924 0.000) 1.193 2.159 ( -1.058 0.998 0.000) 1.454 2.177 ( 2.819 -0.322 0.000) 2.837 2.257 ( 2.397 0.659 0.000) 2.486 2.323 ( 2.542 -0.630 0.000) 2.619 2.354 ( 3.837 -0.471 0.000) 3.866 2.406 ( -5.250 0.583 0.000) 5.282 2.487 ( -0.938 2.720 0.000) 2.877 2.496 ( 8.357 3.283 0.000) 8.979 2.558 ( -0.347 0.318 0.000) 0.471 2.561 ( -1.717 -0.791 0.000) 1.890 2.718 ( 0.246 -0.087 0.000) 0.261 2.719 ( -12.611 -4.714 0.000) 13.463 2.760 ( -0.677 0.707 0.000) 0.979 2.808 ( 0.768 -1.557 0.000) 1.736 2.974 ( -10.766 1.899 0.000) 10.932 3.007 ( -7.731 0.913 0.000) 7.784 3.014 ( -6.633 -1.131 0.000) 6.729 3.109 ( -2.316 0.058 0.000) 2.317 3.804 ( 1.007 0.031 0.000) 1.008 3.824 ( -0.655 0.454 0.000) 0.797 3.857 ( -0.753 1.251 0.000) 1.460 3.904 ( 1.006 0.172 0.000) 1.020 3.913 ( -2.001 0.776 0.000) 2.146 4.071 ( -1.268 0.465 0.000) 1.351 4.192 ( 6.761 -0.072 0.000) 6.762 4.268 ( 3.112 0.651 0.000) 3.180 4.306 ( -2.907 -1.350 0.000) 3.205 4.441 ( -1.204 -1.457 0.000) 1.890 4.508 ( -1.318 -0.011 0.000) 1.318 4.658 ( -1.575 0.176 0.000) 1.585 4.691 ( -3.617 -0.369 0.000) 3.636 4.715 ( -3.112 -1.369 0.000) 3.400 4.730 ( -2.671 -0.090 0.000) 2.672 4.807 ( -2.060 0.023 0.000) 2.060 4.841 ( -2.198 0.147 0.000) 2.203 4.866 ( -0.299 0.132 0.000) 0.327 4.908 ( 0.008 0.073 0.000) 0.073 4.971 ( -0.854 -0.274 0.000) 0.897 4.990 ( 2.200 0.615 0.000) 2.285 5.077 ( 3.043 -0.301 0.000) 3.058 5.158 ( 1.265 -1.043 0.000) 1.640 5.227 ( 1.683 -1.286 0.000) 2.118 5.371 ( -0.678 -0.178 0.000) 0.701 5.439 ( 0.302 -0.019 0.000) 0.302 5.621 ( -2.331 -0.210 0.000) 2.340 5.684 ( -2.574 -1.696 0.000) 3.083 5.702 ( -2.849 0.891 0.000) 2.986 5.735 ( -1.954 -2.052 0.000) 2.834 ======================= Grid point 43 (31/86) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -4.898 4.415 0.000) 6.595 1.149 ( -6.253 3.809 0.000) 7.322 1.164 ( -2.938 -3.359 0.000) 4.462 1.240 ( -4.478 1.491 0.000) 4.720 1.333 ( -1.809 2.695 0.000) 3.246 1.409 ( -8.161 -5.741 0.000) 9.979 1.446 ( -9.418 -2.417 0.000) 9.723 1.502 ( -4.547 -2.824 0.000) 5.353 1.568 ( -1.334 -0.792 0.000) 1.552 1.600 ( 0.222 -3.306 0.000) 3.313 1.714 ( -1.134 0.431 0.000) 1.214 1.806 ( 2.895 2.107 0.000) 3.581 1.850 ( 2.274 0.170 0.000) 2.280 1.877 ( -1.145 0.762 0.000) 1.376 1.921 ( -2.856 -1.868 0.000) 3.412 1.926 ( 0.507 -1.578 0.000) 1.658 1.975 ( -0.462 -0.390 0.000) 0.604 2.093 ( -5.294 0.428 0.000) 5.311 2.124 ( -1.198 2.531 0.000) 2.800 2.200 ( -0.992 -1.156 0.000) 1.524 2.240 ( -3.023 2.960 0.000) 4.231 2.301 ( -3.509 0.463 0.000) 3.539 2.321 ( -13.022 0.532 0.000) 13.033 2.336 ( -5.696 1.394 0.000) 5.864 2.384 ( -5.741 1.449 0.000) 5.921 2.421 ( -1.073 -1.958 0.000) 2.233 2.465 ( -8.086 -1.447 0.000) 8.214 2.521 ( -4.456 -1.841 0.000) 4.822 2.620 ( -3.041 3.976 0.000) 5.006 2.719 ( 4.218 1.017 0.000) 4.339 2.759 ( -2.134 -1.006 0.000) 2.359 2.794 ( -4.127 1.278 0.000) 4.320 2.879 ( -2.373 -0.564 0.000) 2.439 2.906 ( -1.857 0.020 0.000) 1.857 2.994 ( 6.088 -0.475 0.000) 6.107 3.075 ( -0.571 0.768 0.000) 0.957 3.780 ( -3.041 1.397 0.000) 3.347 3.784 ( -2.738 1.959 0.000) 3.366 3.829 ( -1.025 1.673 0.000) 1.962 3.909 ( 0.637 -1.119 0.000) 1.288 3.920 ( 0.214 -0.732 0.000) 0.763 4.045 ( -1.716 -1.259 0.000) 2.128 4.191 ( -4.040 -1.167 0.000) 4.205 4.238 ( -4.270 -1.048 0.000) 4.397 4.395 ( 8.283 0.082 0.000) 8.283 4.469 ( -2.370 1.084 0.000) 2.606 4.503 ( 4.356 0.739 0.000) 4.419 4.624 ( -3.847 -1.613 0.000) 4.171 4.645 ( -0.163 -2.026 0.000) 2.033 4.679 ( 0.209 -0.498 0.000) 0.540 4.686 ( -1.424 0.088 0.000) 1.427 4.762 ( -2.566 -0.914 0.000) 2.724 4.813 ( -0.683 -0.515 0.000) 0.855 4.862 ( 1.173 0.923 0.000) 1.493 4.938 ( 2.080 1.801 0.000) 2.752 4.986 ( 2.777 -0.559 0.000) 2.833 5.028 ( 2.136 0.919 0.000) 2.325 5.134 ( 2.576 -0.169 0.000) 2.582 5.201 ( 2.254 -1.348 0.000) 2.627 5.297 ( 4.742 -0.834 0.000) 4.815 5.345 ( -2.134 -0.204 0.000) 2.144 5.428 ( -1.449 0.075 0.000) 1.451 5.563 ( -3.630 -0.343 0.000) 3.646 5.619 ( -4.956 0.755 0.000) 5.013 5.646 ( -2.780 -3.598 0.000) 4.547 5.708 ( -2.429 -2.553 0.000) 3.524 ======================= Grid point 44 (32/86) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -4.323 9.373 0.000) 10.322 0.965 ( -8.907 8.349 0.000) 12.208 1.085 ( -5.876 -0.957 0.000) 5.953 1.166 ( -1.878 6.076 0.000) 6.360 1.260 ( -10.773 -3.031 0.000) 11.191 1.262 ( -4.592 1.839 0.000) 4.947 1.324 ( -2.826 -1.655 0.000) 3.275 1.449 ( -3.076 -5.793 0.000) 6.559 1.526 ( -1.524 -2.362 0.000) 2.811 1.636 ( -2.518 -2.083 0.000) 3.268 1.694 ( -1.041 -0.352 0.000) 1.099 1.817 ( -7.393 -1.668 0.000) 7.579 1.831 ( -2.807 -1.058 0.000) 3.000 1.844 ( 2.654 3.071 0.000) 4.059 1.868 ( -3.171 2.345 0.000) 3.944 1.945 ( 0.595 -0.442 0.000) 0.741 1.969 ( -2.711 0.936 0.000) 2.868 2.008 ( -6.654 -3.044 0.000) 7.318 2.009 ( -1.215 -0.195 0.000) 1.231 2.108 ( -3.746 1.652 0.000) 4.094 2.123 ( -7.873 3.565 0.000) 8.643 2.142 ( -4.662 3.311 0.000) 5.718 2.218 ( -1.237 -3.239 0.000) 3.468 2.238 ( -4.393 3.434 0.000) 5.576 2.272 ( -7.254 0.590 0.000) 7.278 2.352 ( -0.990 -0.224 0.000) 1.015 2.366 ( -4.748 -1.373 0.000) 4.943 2.489 ( 0.620 2.909 0.000) 2.974 2.555 ( -1.684 4.717 0.000) 5.008 2.720 ( -4.778 -5.302 0.000) 7.138 2.741 ( -0.343 1.087 0.000) 1.140 2.762 ( -0.653 -1.494 0.000) 1.630 2.821 ( -2.220 -1.094 0.000) 2.474 2.872 ( -2.750 0.173 0.000) 2.755 3.097 ( 2.836 1.020 0.000) 3.013 3.098 ( 4.153 2.573 0.000) 4.886 3.697 ( -4.325 2.077 0.000) 4.798 3.705 ( -3.796 2.664 0.000) 4.637 3.766 ( -5.091 0.729 0.000) 5.143 3.895 ( -4.620 -3.101 0.000) 5.564 3.929 ( 0.446 -1.850 0.000) 1.903 4.008 ( -3.924 -3.218 0.000) 5.075 4.144 ( -0.793 -0.842 0.000) 1.157 4.183 ( -0.703 -0.554 0.000) 0.895 4.397 ( -2.831 2.276 0.000) 3.633 4.540 ( 2.229 2.426 0.000) 3.295 4.541 ( 0.752 0.435 0.000) 0.869 4.576 ( 1.413 -3.847 0.000) 4.098 4.639 ( -0.982 -2.855 0.000) 3.019 4.681 ( 0.492 -0.427 0.000) 0.651 4.719 ( -1.369 -1.174 0.000) 1.803 4.783 ( 7.331 1.556 0.000) 7.494 4.820 ( 0.919 -0.491 0.000) 1.042 4.908 ( 4.000 0.603 0.000) 4.045 4.959 ( 1.386 1.493 0.000) 2.037 5.062 ( 1.817 0.602 0.000) 1.914 5.068 ( 4.995 1.811 0.000) 5.313 5.177 ( 1.713 -0.086 0.000) 1.715 5.250 ( 1.804 -0.730 0.000) 1.946 5.294 ( -3.037 -0.270 0.000) 3.049 5.380 ( -3.183 0.420 0.000) 3.210 5.400 ( 5.362 1.716 0.000) 5.630 5.496 ( -3.785 -1.804 0.000) 4.193 5.515 ( -4.809 0.537 0.000) 4.839 5.619 ( -1.883 -3.856 0.000) 4.291 5.667 ( -3.125 -2.625 0.000) 4.081 ======================= Grid point 45 (33/86) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -11.073 9.193 0.000) 14.391 0.741 ( -7.135 13.201 0.000) 15.006 0.996 ( -3.307 -1.458 0.000) 3.614 1.004 ( -10.310 0.854 0.000) 10.345 1.162 ( 0.047 7.091 0.000) 7.091 1.176 ( -0.627 10.326 0.000) 10.345 1.280 ( -0.120 8.491 0.000) 8.491 1.444 ( -1.130 -6.547 0.000) 6.644 1.500 ( -2.593 -0.280 0.000) 2.608 1.535 ( -6.890 -2.925 0.000) 7.485 1.638 ( -5.893 -0.174 0.000) 5.896 1.650 ( -7.854 -3.421 0.000) 8.567 1.751 ( -2.251 -1.203 0.000) 2.552 1.855 ( 1.067 0.482 0.000) 1.171 1.873 ( 1.952 3.008 0.000) 3.586 1.880 ( -2.857 1.732 0.000) 3.341 1.934 ( -4.320 4.533 0.000) 6.262 1.966 ( 1.356 0.190 0.000) 1.369 2.013 ( 1.672 -2.267 0.000) 2.817 2.045 ( -1.907 2.227 0.000) 2.932 2.056 ( -1.144 2.049 0.000) 2.347 2.096 ( 1.846 -2.223 0.000) 2.889 2.126 ( -2.272 3.182 0.000) 3.910 2.210 ( -1.047 -0.185 0.000) 1.063 2.211 ( -1.839 -0.856 0.000) 2.029 2.291 ( -3.223 -0.974 0.000) 3.367 2.338 ( -0.648 0.116 0.000) 0.658 2.479 ( -0.116 3.060 0.000) 3.062 2.479 ( -3.450 4.700 0.000) 5.831 2.679 ( -2.671 -9.496 0.000) 9.864 2.721 ( -1.078 -1.167 0.000) 1.588 2.738 ( -0.637 0.054 0.000) 0.639 2.816 ( -1.865 1.916 0.000) 2.674 2.825 ( 0.725 -1.841 0.000) 1.978 3.135 ( 1.839 3.499 0.000) 3.953 3.142 ( 2.145 1.487 0.000) 2.610 3.600 ( -4.060 1.859 0.000) 4.466 3.621 ( -3.109 1.986 0.000) 3.689 3.640 ( -6.399 0.754 0.000) 6.443 3.755 ( -12.168 -4.790 0.000) 13.077 3.944 ( -3.404 -2.568 0.000) 4.264 3.949 ( 0.419 -2.288 0.000) 2.326 4.155 ( 0.968 0.083 0.000) 0.972 4.209 ( 2.266 0.820 0.000) 2.410 4.342 ( -1.414 1.979 0.000) 2.432 4.505 ( -1.474 0.759 0.000) 1.658 4.551 ( 0.380 -0.298 0.000) 0.483 4.646 ( -0.012 -2.205 0.000) 2.205 4.674 ( 3.323 -2.526 0.000) 4.174 4.696 ( 0.699 -0.338 0.000) 0.776 4.708 ( -0.510 -1.723 0.000) 1.797 4.846 ( 1.500 0.340 0.000) 1.539 4.903 ( 5.191 2.314 0.000) 5.683 4.984 ( 2.657 1.560 0.000) 3.081 5.005 ( 5.561 -0.467 0.000) 5.580 5.087 ( 0.818 0.072 0.000) 0.821 5.126 ( 1.496 1.958 0.000) 2.464 5.197 ( 0.422 0.394 0.000) 0.578 5.239 ( -2.279 0.017 0.000) 2.279 5.266 ( -0.967 -0.204 0.000) 0.989 5.317 ( -2.620 0.378 0.000) 2.647 5.410 ( -2.422 1.671 0.000) 2.942 5.435 ( -3.851 -3.460 0.000) 5.177 5.496 ( 2.868 3.062 0.000) 4.196 5.618 ( 0.106 -0.552 0.000) 0.562 5.624 ( -2.342 -2.195 0.000) 3.209 ======================= Grid point 46 (34/86) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 0.000 10.817 0.000) 10.817 0.578 ( 0.000 16.520 0.000) 16.520 0.881 ( 0.000 0.884 0.000) 0.884 0.966 ( 0.000 2.869 0.000) 2.869 1.075 ( 0.000 21.486 0.000) 21.486 1.115 ( 0.000 10.656 0.000) 10.656 1.244 ( 0.000 5.098 0.000) 5.098 1.467 ( -0.000 -0.660 0.000) 0.660 1.468 ( -0.000 -1.804 0.000) 1.804 1.472 ( -0.000 -6.815 0.000) 6.815 1.570 ( -0.000 -0.959 0.000) 0.959 1.591 ( -0.000 -4.348 0.000) 4.348 1.751 ( -0.000 -1.376 0.000) 1.376 1.815 ( 0.000 6.233 0.000) 6.233 1.863 ( -0.000 -0.701 0.000) 0.701 1.880 ( 0.000 2.374 0.000) 2.374 1.897 ( -0.000 -0.696 0.000) 0.696 1.985 ( 0.000 0.001 0.000) 0.001 2.007 ( 0.000 1.999 0.000) 1.999 2.037 ( 0.000 1.920 0.000) 1.920 2.047 ( -0.000 -0.750 0.000) 0.750 2.080 ( 0.000 2.970 0.000) 2.970 2.169 ( -0.000 -5.290 0.000) 5.290 2.184 ( 0.000 1.784 0.000) 1.784 2.189 ( 0.000 1.445 0.000) 1.445 2.265 ( -0.000 -0.787 0.000) 0.787 2.325 ( 0.000 0.147 0.000) 0.147 2.413 ( 0.000 3.240 0.000) 3.240 2.462 ( 0.000 1.142 0.000) 1.142 2.702 ( -0.000 -5.191 0.000) 5.191 2.716 ( 0.000 0.589 0.000) 0.589 2.764 ( -0.000 -5.038 0.000) 5.038 2.789 ( 0.000 1.030 0.000) 1.030 2.852 ( -0.000 -1.967 0.000) 1.967 3.138 ( 0.000 2.744 0.000) 2.744 3.155 ( 0.000 1.745 0.000) 1.745 3.544 ( 0.000 1.416 0.000) 1.416 3.563 ( 0.000 1.262 0.000) 1.262 3.563 ( 0.000 1.318 0.000) 1.318 3.588 ( 0.000 1.738 0.000) 1.738 3.922 ( -0.000 -2.294 0.000) 2.294 3.968 ( -0.000 -2.677 0.000) 2.677 4.163 ( 0.000 0.671 0.000) 0.671 4.229 ( 0.000 1.288 0.000) 1.288 4.321 ( 0.000 1.303 0.000) 1.303 4.487 ( 0.000 0.881 0.000) 0.881 4.557 ( -0.000 -0.654 0.000) 0.654 4.656 ( -0.000 -1.414 0.000) 1.414 4.702 ( -0.000 -0.161 0.000) 0.161 4.715 ( -0.000 -2.177 0.000) 2.177 4.723 ( -0.000 -2.246 0.000) 2.246 4.861 ( 0.000 0.309 0.000) 0.309 4.938 ( 0.000 1.410 0.000) 1.410 5.041 ( -0.000 -0.215 0.000) 0.215 5.094 ( -0.000 -0.158 0.000) 0.158 5.095 ( 0.000 1.310 0.000) 1.310 5.103 ( 0.000 0.393 0.000) 0.393 5.195 ( 0.000 0.661 0.000) 0.661 5.215 ( -0.000 -0.015 0.000) 0.015 5.231 ( -0.000 -1.404 0.000) 1.404 5.290 ( 0.000 0.354 0.000) 0.354 5.377 ( 0.000 1.305 0.000) 1.305 5.405 ( -0.000 -1.968 0.000) 1.968 5.503 ( 0.000 4.733 0.000) 4.733 5.612 ( -0.000 -2.112 0.000) 2.112 5.612 ( 0.000 2.589 0.000) 2.589 ======================= Grid point 53 (35/86) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -2.646 0.000 0.000) 2.646 1.149 ( -7.077 0.000 0.000) 7.077 1.281 ( -4.960 0.000 0.000) 4.960 1.335 ( -5.952 0.000 0.000) 5.952 1.395 ( -1.391 0.000 0.000) 1.391 1.480 ( 2.449 -0.000 0.000) 2.449 1.544 ( -9.182 0.000 0.000) 9.182 1.558 ( -2.332 0.000 0.000) 2.332 1.590 ( -6.446 0.000 0.000) 6.446 1.689 ( -6.300 0.000 0.000) 6.300 1.742 ( 1.450 -0.000 0.000) 1.450 1.767 ( -0.029 0.000 0.000) 0.029 1.833 ( -0.710 0.000 0.000) 0.710 1.868 ( 2.752 -0.000 0.000) 2.752 1.911 ( -0.720 0.000 0.000) 0.720 1.926 ( -0.972 0.000 0.000) 0.972 2.004 ( -1.689 0.000 0.000) 1.689 2.137 ( 1.096 -0.000 0.000) 1.096 2.165 ( -1.291 0.000 0.000) 1.291 2.175 ( 2.575 -0.000 0.000) 2.575 2.259 ( 3.288 -0.000 0.000) 3.288 2.320 ( 2.342 -0.000 0.000) 2.342 2.351 ( 3.894 -0.000 0.000) 3.894 2.409 ( -5.567 0.000 0.000) 5.567 2.504 ( -1.788 0.000 0.000) 1.788 2.518 ( 11.552 -0.000 0.000) 11.552 2.557 ( -2.672 0.000 0.000) 2.672 2.560 ( -0.161 0.000 0.000) 0.161 2.689 ( -15.061 0.000 0.000) 15.061 2.717 ( 1.713 -0.000 0.000) 1.713 2.767 ( 0.251 -0.000 0.000) 0.251 2.796 ( -1.199 0.000 0.000) 1.199 2.987 ( -8.502 0.000 0.000) 8.502 3.006 ( -8.353 0.000 0.000) 8.353 3.012 ( -7.591 0.000 0.000) 7.591 3.109 ( -2.151 0.000 0.000) 2.151 3.804 ( 0.964 -0.000 0.000) 0.964 3.827 ( -0.396 0.000 0.000) 0.396 3.864 ( -0.068 0.000 0.000) 0.068 3.905 ( 0.876 -0.000 0.000) 0.876 3.918 ( -2.809 0.000 0.000) 2.809 4.074 ( -1.591 0.000 0.000) 1.591 4.192 ( 6.944 -0.000 0.000) 6.944 4.272 ( 2.959 -0.000 0.000) 2.959 4.299 ( -2.874 0.000 0.000) 2.874 4.432 ( -0.894 0.000 0.000) 0.894 4.508 ( -1.203 0.000 0.000) 1.203 4.659 ( -1.807 0.000 0.000) 1.807 4.689 ( -3.861 0.000 0.000) 3.861 4.707 ( -3.161 0.000 0.000) 3.161 4.730 ( -2.572 0.000 0.000) 2.572 4.807 ( -2.245 0.000 0.000) 2.245 4.842 ( -2.405 0.000 0.000) 2.405 4.867 ( -0.141 0.000 0.000) 0.141 4.908 ( 0.423 -0.000 0.000) 0.423 4.970 ( -1.038 0.000 0.000) 1.038 4.994 ( 2.324 -0.000 0.000) 2.324 5.075 ( 3.135 -0.000 0.000) 3.135 5.152 ( 1.227 -0.000 0.000) 1.227 5.219 ( 1.669 -0.000 0.000) 1.669 5.370 ( -0.674 0.000 0.000) 0.674 5.439 ( 0.297 -0.000 0.000) 0.297 5.620 ( -2.225 0.000 0.000) 2.225 5.674 ( -2.937 0.000 0.000) 2.937 5.714 ( -3.681 0.000 0.000) 3.681 5.716 ( -1.201 0.000 0.000) 1.201 ======================= Grid point 55 (36/86) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -2.778 5.407 0.000) 6.079 1.113 ( -1.053 -5.284 0.000) 5.388 1.180 ( -5.023 1.517 0.000) 5.247 1.253 ( -2.486 0.676 0.000) 2.576 1.360 ( -7.880 -0.792 0.000) 7.919 1.368 ( -3.428 0.629 0.000) 3.485 1.427 ( -9.559 -0.885 0.000) 9.600 1.478 ( -6.166 -1.270 0.000) 6.296 1.554 ( 3.852 -1.272 0.000) 4.057 1.577 ( -4.693 -0.719 0.000) 4.748 1.719 ( -1.426 0.345 0.000) 1.467 1.825 ( 3.759 1.056 0.000) 3.905 1.849 ( 2.055 -0.178 0.000) 2.063 1.874 ( -5.182 -0.647 0.000) 5.222 1.911 ( 0.291 -0.841 0.000) 0.890 1.918 ( 1.585 0.487 0.000) 1.658 1.970 ( -0.791 -0.310 0.000) 0.850 2.096 ( -6.134 0.116 0.000) 6.135 2.151 ( -0.016 2.076 0.000) 2.076 2.184 ( -1.346 -1.568 0.000) 2.067 2.268 ( -2.167 2.076 0.000) 3.001 2.295 ( -4.940 -1.323 0.000) 5.114 2.329 ( -17.551 0.640 0.000) 17.562 2.348 ( -0.853 0.762 0.000) 1.143 2.392 ( -11.730 -0.047 0.000) 11.730 2.401 ( -0.744 -1.246 0.000) 1.451 2.459 ( -4.178 0.060 0.000) 4.179 2.508 ( -1.535 -0.570 0.000) 1.638 2.657 ( -1.914 2.149 0.000) 2.877 2.726 ( 6.070 0.322 0.000) 6.078 2.743 ( -2.876 -1.212 0.000) 3.120 2.810 ( -6.788 1.018 0.000) 6.864 2.873 ( -3.415 -0.362 0.000) 3.434 2.907 ( -2.842 0.070 0.000) 2.843 2.988 ( 8.213 -0.405 0.000) 8.223 3.080 ( -0.405 0.260 0.000) 0.481 3.789 ( -2.518 0.309 0.000) 2.537 3.799 ( -2.261 0.745 0.000) 2.381 3.849 ( -1.397 1.551 0.000) 2.088 3.895 ( -0.003 -1.144 0.000) 1.144 3.915 ( -0.287 -0.223 0.000) 0.363 4.034 ( -2.689 -0.586 0.000) 2.752 4.181 ( -4.050 -0.470 0.000) 4.078 4.230 ( -4.556 -0.379 0.000) 4.572 4.395 ( 8.706 0.051 0.000) 8.706 4.479 ( -1.728 0.557 0.000) 1.816 4.513 ( 5.325 0.652 0.000) 5.365 4.610 ( -4.199 -0.748 0.000) 4.265 4.625 ( -1.705 -1.223 0.000) 2.098 4.677 ( 1.420 -0.073 0.000) 1.422 4.686 ( -1.599 0.023 0.000) 1.599 4.755 ( -2.759 -0.309 0.000) 2.776 4.809 ( -0.812 -0.192 0.000) 0.835 4.869 ( 1.226 0.331 0.000) 1.270 4.957 ( 1.502 1.476 0.000) 2.106 4.977 ( 4.148 -0.984 0.000) 4.263 5.035 ( 2.028 0.385 0.000) 2.064 5.133 ( 2.570 -0.072 0.000) 2.571 5.190 ( 2.399 -0.508 0.000) 2.453 5.290 ( 5.509 -0.327 0.000) 5.518 5.344 ( -2.111 -0.076 0.000) 2.112 5.429 ( -1.355 0.019 0.000) 1.355 5.561 ( -3.885 0.008 0.000) 3.885 5.617 ( -2.975 -1.424 0.000) 3.299 5.626 ( -5.085 0.493 0.000) 5.109 5.686 ( -2.275 -1.143 0.000) 2.546 ======================= Grid point 56 (37/86) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -3.489 5.937 0.000) 6.887 1.049 ( -6.542 6.414 0.000) 9.162 1.085 ( -7.313 1.788 0.000) 7.529 1.217 ( -2.703 -0.914 0.000) 2.853 1.237 ( -1.068 -5.229 0.000) 5.337 1.242 ( -8.191 4.006 0.000) 9.118 1.341 ( 0.606 3.196 0.000) 3.253 1.381 ( -4.281 -6.411 0.000) 7.709 1.502 ( -2.369 -1.552 0.000) 2.832 1.617 ( -1.996 -1.226 0.000) 2.342 1.696 ( -0.790 0.487 0.000) 0.928 1.781 ( -2.080 -3.073 0.000) 3.711 1.845 ( -10.055 1.848 0.000) 10.224 1.869 ( -0.019 1.472 0.000) 1.472 1.893 ( 0.606 1.998 0.000) 2.088 1.933 ( 1.637 -1.741 0.000) 2.390 1.975 ( -1.433 0.358 0.000) 1.477 1.989 ( -10.483 -0.271 0.000) 10.487 1.990 ( -0.644 -2.432 0.000) 2.515 2.117 ( -3.939 -0.139 0.000) 3.941 2.154 ( -6.876 1.717 0.000) 7.087 2.179 ( -5.432 3.204 0.000) 6.307 2.187 ( 0.095 -1.830 0.000) 1.832 2.246 ( -2.683 -0.618 0.000) 2.753 2.319 ( -6.647 5.418 0.000) 8.575 2.352 ( -1.127 0.138 0.000) 1.135 2.354 ( -3.704 -0.745 0.000) 3.778 2.516 ( 1.645 1.809 0.000) 2.445 2.597 ( -3.220 1.690 0.000) 3.636 2.670 ( -6.919 -2.034 0.000) 7.212 2.734 ( -0.611 -3.356 0.000) 3.412 2.748 ( -2.452 0.268 0.000) 2.466 2.813 ( -2.760 -0.453 0.000) 2.796 2.875 ( -1.439 0.266 0.000) 1.463 3.106 ( 2.940 0.662 0.000) 3.014 3.121 ( 5.020 1.495 0.000) 5.238 3.716 ( -4.305 1.218 0.000) 4.474 3.732 ( -3.793 1.993 0.000) 4.285 3.776 ( -5.599 0.943 0.000) 5.678 3.866 ( -6.026 -2.035 0.000) 6.360 3.908 ( 0.339 -1.720 0.000) 1.754 3.979 ( -3.808 -1.962 0.000) 4.284 4.137 ( -0.377 -0.468 0.000) 0.601 4.179 ( 0.012 -0.280 0.000) 0.280 4.427 ( -2.149 2.881 0.000) 3.594 4.532 ( -0.849 -3.781 0.000) 3.875 4.550 ( 0.448 1.046 0.000) 1.138 4.563 ( 3.896 1.458 0.000) 4.159 4.609 ( -0.852 -2.382 0.000) 2.530 4.675 ( 0.213 -0.500 0.000) 0.543 4.708 ( -1.588 -0.702 0.000) 1.736 4.797 ( 8.320 0.916 0.000) 8.371 4.817 ( 1.482 -0.056 0.000) 1.483 4.913 ( 3.353 0.232 0.000) 3.361 4.972 ( 1.186 0.775 0.000) 1.417 5.068 ( 1.520 0.361 0.000) 1.562 5.085 ( 5.394 1.116 0.000) 5.509 5.175 ( 1.786 -0.152 0.000) 1.793 5.243 ( 2.618 -0.329 0.000) 2.639 5.292 ( -3.012 -0.089 0.000) 3.013 5.385 ( -2.989 0.334 0.000) 3.008 5.416 ( 6.815 1.056 0.000) 6.897 5.475 ( -5.233 -1.651 0.000) 5.487 5.521 ( -5.060 0.503 0.000) 5.085 5.589 ( -0.404 -1.661 0.000) 1.710 5.643 ( -2.856 -1.665 0.000) 3.306 ======================= Grid point 57 (38/86) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -12.583 5.844 0.000) 13.874 0.880 ( -4.845 11.281 0.000) 12.278 0.985 ( -1.907 -0.379 0.000) 1.944 1.014 ( -10.448 1.309 0.000) 10.529 1.218 ( 0.718 1.868 0.000) 2.001 1.260 ( 2.796 5.302 0.000) 5.994 1.362 ( 2.155 5.144 0.000) 5.577 1.378 ( -0.284 -4.628 0.000) 4.636 1.492 ( -1.992 -1.230 0.000) 2.341 1.519 ( -4.000 0.088 0.000) 4.001 1.619 ( -9.476 -1.920 0.000) 9.669 1.643 ( -6.559 1.054 0.000) 6.643 1.730 ( -3.268 -2.493 0.000) 4.111 1.842 ( 2.984 -1.825 0.000) 3.498 1.902 ( -4.246 1.769 0.000) 4.600 1.906 ( 1.296 2.415 0.000) 2.741 1.971 ( 1.684 0.878 0.000) 1.899 1.992 ( -2.723 3.574 0.000) 4.493 1.995 ( 3.115 -1.023 0.000) 3.279 2.066 ( -1.232 1.365 0.000) 1.839 2.068 ( -0.741 0.972 0.000) 1.222 2.095 ( -0.599 2.622 0.000) 2.689 2.168 ( -3.937 4.734 0.000) 6.157 2.199 ( 0.158 -1.628 0.000) 1.636 2.206 ( -1.077 -0.325 0.000) 1.125 2.281 ( -3.938 -0.577 0.000) 3.980 2.342 ( -0.409 0.446 0.000) 0.605 2.521 ( 0.086 4.304 0.000) 4.305 2.530 ( -3.561 1.643 0.000) 3.922 2.564 ( -5.457 -8.460 0.000) 10.067 2.693 ( -2.510 -3.400 0.000) 4.226 2.726 ( -0.976 -2.172 0.000) 2.382 2.800 ( 0.312 -2.283 0.000) 2.304 2.841 ( -1.180 2.120 0.000) 2.426 3.157 ( 2.341 1.185 0.000) 2.623 3.173 ( 2.053 3.085 0.000) 3.705 3.620 ( -4.303 1.683 0.000) 4.620 3.643 ( -3.705 1.952 0.000) 4.188 3.646 ( -6.185 0.352 0.000) 6.195 3.715 ( -9.891 -2.666 0.000) 10.244 3.920 ( -2.771 -1.653 0.000) 3.227 3.926 ( 0.430 -1.755 0.000) 1.807 4.155 ( 1.352 -0.129 0.000) 1.358 4.215 ( 2.522 0.309 0.000) 2.541 4.372 ( -1.347 3.447 0.000) 3.701 4.501 ( -1.703 -1.632 0.000) 2.359 4.552 ( 0.301 0.524 0.000) 0.604 4.619 ( 0.217 -2.581 0.000) 2.590 4.648 ( 2.842 -1.731 0.000) 3.327 4.689 ( 0.532 -0.857 0.000) 1.009 4.693 ( -0.445 -0.859 0.000) 0.967 4.855 ( 2.231 1.045 0.000) 2.463 4.928 ( 4.880 2.138 0.000) 5.328 4.994 ( 3.998 -0.392 0.000) 4.017 5.000 ( 3.196 0.177 0.000) 3.200 5.088 ( 0.595 0.050 0.000) 0.597 5.138 ( 0.171 0.162 0.000) 0.235 5.200 ( 0.667 0.144 0.000) 0.683 5.238 ( -2.296 -0.044 0.000) 2.296 5.276 ( 0.090 1.840 0.000) 1.842 5.322 ( -2.860 0.469 0.000) 2.898 5.395 ( -3.516 -3.560 0.000) 5.003 5.426 ( -3.056 1.101 0.000) 3.248 5.528 ( 4.300 2.602 0.000) 5.026 5.603 ( -1.928 -1.653 0.000) 2.539 5.618 ( 2.267 0.325 0.000) 2.290 ======================= Grid point 58 (39/86) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.000 7.583 0.000) 7.583 0.756 ( 0.000 15.383 0.000) 15.383 0.890 ( 0.000 0.716 0.000) 0.716 0.968 ( 0.000 0.359 0.000) 0.359 1.211 ( 0.000 5.243 0.000) 5.243 1.299 ( 0.000 12.057 0.000) 12.057 1.303 ( 0.000 5.402 0.000) 5.402 1.401 ( -0.000 -5.081 0.000) 5.081 1.451 ( -0.000 -1.315 0.000) 1.315 1.473 ( 0.000 5.696 0.000) 5.696 1.544 ( -0.000 -4.086 0.000) 4.086 1.560 ( -0.000 -0.770 0.000) 0.770 1.729 ( -0.000 -2.357 0.000) 2.357 1.853 ( -0.000 -0.866 0.000) 0.866 1.886 ( -0.000 -1.210 0.000) 1.210 1.898 ( 0.000 8.046 0.000) 8.046 1.907 ( 0.000 2.097 0.000) 2.097 1.986 ( 0.000 0.406 0.000) 0.406 2.028 ( 0.000 1.760 0.000) 1.760 2.049 ( 0.000 1.222 0.000) 1.222 2.058 ( 0.000 1.593 0.000) 1.593 2.110 ( 0.000 2.381 0.000) 2.381 2.117 ( -0.000 -3.053 0.000) 3.053 2.202 ( 0.000 1.429 0.000) 1.429 2.205 ( 0.000 1.374 0.000) 1.374 2.243 ( -0.000 -3.099 0.000) 3.099 2.330 ( 0.000 0.565 0.000) 0.565 2.452 ( 0.000 3.733 0.000) 3.733 2.490 ( 0.000 3.641 0.000) 3.641 2.591 ( -0.000 -12.939 0.000) 12.939 2.696 ( -0.000 -3.476 0.000) 3.476 2.735 ( -0.000 -1.911 0.000) 1.911 2.814 ( 0.000 2.783 0.000) 2.783 2.823 ( -0.000 -3.132 0.000) 3.132 3.174 ( 0.000 1.539 0.000) 1.539 3.175 ( 0.000 3.562 0.000) 3.562 3.559 ( 0.000 1.198 0.000) 1.198 3.575 ( 0.000 1.015 0.000) 1.015 3.579 ( 0.000 1.296 0.000) 1.296 3.606 ( 0.000 1.510 0.000) 1.510 3.901 ( -0.000 -1.595 0.000) 1.595 3.941 ( -0.000 -2.055 0.000) 2.055 4.169 ( 0.000 0.379 0.000) 0.379 4.241 ( 0.000 0.717 0.000) 0.717 4.342 ( 0.000 2.725 0.000) 2.725 4.491 ( -0.000 -0.477 0.000) 0.477 4.554 ( 0.000 0.025 0.000) 0.025 4.636 ( -0.000 -2.242 0.000) 2.242 4.688 ( -0.000 -2.566 0.000) 2.566 4.695 ( -0.000 -1.175 0.000) 1.175 4.700 ( -0.000 -1.153 0.000) 1.153 4.873 ( 0.000 1.513 0.000) 1.513 4.957 ( 0.000 1.977 0.000) 1.977 5.039 ( -0.000 -0.181 0.000) 0.181 5.088 ( -0.000 -2.363 0.000) 2.363 5.092 ( -0.000 -0.125 0.000) 0.125 5.107 ( 0.000 0.319 0.000) 0.319 5.202 ( 0.000 0.549 0.000) 0.549 5.215 ( -0.000 -0.006 0.000) 0.006 5.235 ( 0.000 1.746 0.000) 1.746 5.294 ( 0.000 0.301 0.000) 0.301 5.383 ( -0.000 -1.875 0.000) 1.875 5.389 ( 0.000 0.997 0.000) 0.997 5.552 ( 0.000 3.884 0.000) 3.884 5.592 ( -0.000 -1.373 0.000) 1.373 5.638 ( 0.000 2.009 0.000) 2.009 ======================= Grid point 67 (40/86) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -3.605 0.000 0.000) 3.605 1.091 ( -5.119 0.000 0.000) 5.119 1.115 ( -13.706 0.000 0.000) 13.706 1.189 ( 8.060 -0.000 0.000) 8.060 1.199 ( -6.720 0.000 0.000) 6.720 1.301 ( 0.174 -0.000 0.000) 0.174 1.316 ( -9.035 0.000 0.000) 9.035 1.362 ( 0.130 -0.000 0.000) 0.130 1.494 ( -2.836 0.000 0.000) 2.836 1.610 ( -1.699 0.000 0.000) 1.699 1.700 ( -0.610 0.000 0.000) 0.610 1.762 ( -1.566 0.000 0.000) 1.566 1.858 ( -12.267 0.000 0.000) 12.267 1.878 ( -2.326 0.000 0.000) 2.326 1.909 ( 4.240 -0.000 0.000) 4.240 1.917 ( 0.546 -0.000 0.000) 0.546 1.972 ( 0.938 -0.000 0.000) 0.938 1.978 ( -1.885 0.000 0.000) 1.885 1.991 ( -11.684 0.000 0.000) 11.684 2.113 ( -3.637 0.000 0.000) 3.637 2.163 ( -5.871 0.000 0.000) 5.871 2.178 ( 0.488 -0.000 0.000) 0.488 2.200 ( -5.873 0.000 0.000) 5.873 2.240 ( -2.590 0.000 0.000) 2.590 2.346 ( -0.214 0.000 0.000) 0.214 2.350 ( -3.403 0.000 0.000) 3.403 2.362 ( -5.256 0.000 0.000) 5.256 2.526 ( 2.237 -0.000 0.000) 2.237 2.592 ( -9.302 0.000 0.000) 9.302 2.686 ( -1.984 0.000 0.000) 1.984 2.697 ( -2.366 0.000 0.000) 2.366 2.749 ( -3.480 0.000 0.000) 3.480 2.810 ( -2.890 0.000 0.000) 2.890 2.877 ( -0.863 0.000 0.000) 0.863 3.110 ( 2.991 -0.000 0.000) 2.991 3.129 ( 5.399 -0.000 0.000) 5.399 3.723 ( -4.224 0.000 0.000) 4.224 3.744 ( -3.681 0.000 0.000) 3.681 3.783 ( -6.095 0.000 0.000) 6.095 3.853 ( -6.640 0.000 0.000) 6.640 3.897 ( 0.551 -0.000 0.000) 0.551 3.967 ( -3.619 0.000 0.000) 3.619 4.134 ( -0.246 0.000 0.000) 0.246 4.177 ( 0.197 -0.000 0.000) 0.197 4.449 ( -1.410 0.000 0.000) 1.410 4.504 ( -1.327 0.000 0.000) 1.327 4.558 ( 0.381 -0.000 0.000) 0.381 4.571 ( 3.695 -0.000 0.000) 3.695 4.593 ( -0.872 0.000 0.000) 0.872 4.672 ( 0.024 -0.000 0.000) 0.024 4.704 ( -1.596 0.000 0.000) 1.596 4.802 ( 8.652 -0.000 0.000) 8.652 4.817 ( 1.759 -0.000 0.000) 1.759 4.914 ( 3.117 -0.000 0.000) 3.117 4.976 ( 1.099 -0.000 0.000) 1.099 5.070 ( 1.403 -0.000 0.000) 1.403 5.092 ( 5.368 -0.000 0.000) 5.368 5.174 ( 1.802 -0.000 0.000) 1.802 5.242 ( 3.103 -0.000 0.000) 3.103 5.292 ( -2.991 0.000 0.000) 2.991 5.387 ( -2.832 0.000 0.000) 2.832 5.422 ( 7.368 -0.000 0.000) 7.368 5.465 ( -5.951 0.000 0.000) 5.951 5.524 ( -5.177 0.000 0.000) 5.177 5.580 ( 0.202 -0.000 0.000) 0.202 5.633 ( -2.742 0.000 0.000) 2.742 ======================= Grid point 69 (41/86) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -13.512 1.971 0.000) 13.655 0.966 ( -5.706 3.098 0.000) 6.493 0.985 ( -0.734 0.069 0.000) 0.737 1.049 ( -6.970 5.058 0.000) 8.612 1.193 ( -3.192 -4.548 0.000) 5.557 1.298 ( 2.063 1.577 0.000) 2.597 1.355 ( 2.968 -0.157 0.000) 2.972 1.396 ( 1.653 1.474 0.000) 2.215 1.489 ( -3.325 0.815 0.000) 3.424 1.511 ( 2.107 -1.628 0.000) 2.663 1.610 ( -9.835 0.023 0.000) 9.835 1.660 ( -9.084 1.578 0.000) 9.220 1.702 ( -1.714 -2.187 0.000) 2.778 1.825 ( 3.975 -0.953 0.000) 4.088 1.916 ( -4.563 0.675 0.000) 4.613 1.922 ( 0.457 0.608 0.000) 0.760 1.979 ( 1.948 0.100 0.000) 1.951 1.994 ( 3.997 0.754 0.000) 4.068 1.997 ( 0.696 -0.659 0.000) 0.959 2.075 ( 0.349 0.302 0.000) 0.462 2.096 ( -2.215 1.979 0.000) 2.970 2.123 ( -0.800 1.738 0.000) 1.913 2.181 ( -0.413 -1.075 0.000) 1.151 2.202 ( -0.459 -0.271 0.000) 0.533 2.245 ( -4.734 8.425 0.000) 9.664 2.278 ( -4.043 -0.136 0.000) 4.045 2.348 ( -0.910 0.908 0.000) 1.286 2.418 ( -7.224 -11.641 0.000) 13.701 2.566 ( 1.666 3.125 0.000) 3.541 2.593 ( -5.981 3.725 0.000) 7.046 2.655 ( -4.656 -2.792 0.000) 5.428 2.694 ( 0.006 -2.860 0.000) 2.860 2.782 ( -0.273 -0.838 0.000) 0.881 2.857 ( -0.921 0.777 0.000) 1.205 3.167 ( 2.434 0.465 0.000) 2.478 3.198 ( 2.256 1.206 0.000) 2.558 3.635 ( -4.227 0.924 0.000) 4.327 3.647 ( -6.381 -0.142 0.000) 6.383 3.663 ( -4.009 1.385 0.000) 4.242 3.692 ( -8.623 -1.448 0.000) 8.743 3.908 ( -2.397 -0.580 0.000) 2.466 3.912 ( 0.625 -0.664 0.000) 0.912 4.153 ( 1.468 -0.116 0.000) 1.472 4.216 ( 2.668 0.055 0.000) 2.669 4.415 ( -0.981 3.895 0.000) 4.017 4.470 ( -1.685 -3.426 0.000) 3.818 4.562 ( 0.367 1.125 0.000) 1.184 4.592 ( 0.073 -1.937 0.000) 1.939 4.638 ( 2.127 -0.326 0.000) 2.152 4.680 ( 0.467 -0.509 0.000) 0.691 4.687 ( -0.238 -0.219 0.000) 0.323 4.865 ( 2.601 0.504 0.000) 2.650 4.948 ( 5.410 1.318 0.000) 5.569 4.984 ( 3.908 -0.888 0.000) 4.008 5.003 ( 1.904 0.205 0.000) 1.915 5.088 ( 0.468 0.021 0.000) 0.468 5.136 ( -0.618 -0.208 0.000) 0.651 5.201 ( 0.859 0.022 0.000) 0.859 5.238 ( -2.258 0.001 0.000) 2.258 5.297 ( 1.350 1.439 0.000) 1.973 5.331 ( -3.350 1.469 0.000) 3.658 5.357 ( -3.247 -3.125 0.000) 4.506 5.434 ( -3.249 0.424 0.000) 3.277 5.550 ( 4.972 1.152 0.000) 5.104 5.589 ( -1.728 -0.784 0.000) 1.898 5.621 ( 3.157 0.192 0.000) 3.163 ======================= Grid point 70 (42/86) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 0.000 3.883 0.000) 3.883 0.896 ( 0.000 0.394 0.000) 0.394 0.916 ( 0.000 13.140 0.000) 13.140 0.978 ( 0.000 1.118 0.000) 1.118 1.203 ( -0.000 -6.088 0.000) 6.088 1.328 ( -0.000 -1.622 0.000) 1.622 1.361 ( 0.000 4.837 0.000) 4.837 1.383 ( 0.000 1.390 0.000) 1.390 1.438 ( -0.000 -1.219 0.000) 1.219 1.502 ( -0.000 -3.272 0.000) 3.272 1.553 ( -0.000 -0.421 0.000) 0.421 1.594 ( 0.000 10.638 0.000) 10.638 1.705 ( -0.000 -1.734 0.000) 1.734 1.846 ( -0.000 -0.399 0.000) 0.399 1.873 ( -0.000 -1.107 0.000) 1.107 1.923 ( 0.000 0.854 0.000) 0.854 1.978 ( 0.000 5.062 0.000) 5.062 1.990 ( 0.000 0.137 0.000) 0.137 2.044 ( 0.000 1.026 0.000) 1.026 2.063 ( 0.000 0.491 0.000) 0.491 2.078 ( 0.000 3.776 0.000) 3.776 2.130 ( 0.000 5.561 0.000) 5.561 2.131 ( 0.000 1.320 0.000) 1.320 2.200 ( -0.000 -4.399 0.000) 4.399 2.214 ( 0.000 0.780 0.000) 0.780 2.218 ( 0.000 0.813 0.000) 0.813 2.330 ( -0.000 -1.599 0.000) 1.599 2.438 ( -0.000 -12.962 0.000) 12.962 2.494 ( 0.000 3.132 0.000) 3.132 2.538 ( 0.000 4.728 0.000) 4.728 2.650 ( -0.000 -4.599 0.000) 4.599 2.710 ( -0.000 -2.326 0.000) 2.326 2.791 ( -0.000 -2.238 0.000) 2.238 2.840 ( 0.000 1.647 0.000) 1.647 3.188 ( 0.000 0.930 0.000) 0.930 3.209 ( 0.000 2.386 0.000) 2.386 3.569 ( 0.000 0.681 0.000) 0.681 3.584 ( 0.000 0.594 0.000) 0.594 3.590 ( 0.000 0.769 0.000) 0.769 3.620 ( 0.000 0.877 0.000) 0.877 3.887 ( -0.000 -0.790 0.000) 0.790 3.924 ( -0.000 -1.074 0.000) 1.074 4.171 ( -0.000 -0.058 0.000) 0.058 4.246 ( 0.000 0.280 0.000) 0.280 4.381 ( 0.000 4.204 0.000) 4.204 4.473 ( -0.000 -2.785 0.000) 2.785 4.559 ( 0.000 1.019 0.000) 1.019 4.608 ( -0.000 -2.657 0.000) 2.657 4.663 ( -0.000 -1.581 0.000) 1.581 4.688 ( -0.000 -0.207 0.000) 0.207 4.689 ( -0.000 -0.840 0.000) 0.840 4.889 ( 0.000 1.142 0.000) 1.142 4.981 ( 0.000 2.363 0.000) 2.363 5.037 ( -0.000 -0.104 0.000) 0.104 5.054 ( -0.000 -3.240 0.000) 3.240 5.091 ( -0.000 -0.068 0.000) 0.068 5.110 ( 0.000 0.177 0.000) 0.177 5.207 ( 0.000 0.309 0.000) 0.309 5.215 ( -0.000 -0.001 0.000) 0.001 5.258 ( 0.000 1.967 0.000) 1.967 5.297 ( 0.000 0.172 0.000) 0.172 5.365 ( -0.000 -1.397 0.000) 1.397 5.399 ( 0.000 0.680 0.000) 0.680 5.573 ( -0.000 -0.384 0.000) 0.384 5.594 ( 0.000 1.814 0.000) 1.814 5.656 ( 0.000 1.086 0.000) 1.086 ======================= Grid point 82 (43/86) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 0.986 ( 0.000 0.000 0.000) 0.000 1.015 ( 0.000 0.000 0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.316 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.399 ( -0.000 -0.000 0.000) 0.000 1.423 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.866 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.050 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.230 ( -0.000 -0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.606 ( -0.000 -0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.572 ( -0.000 -0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 5.002 ( 0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/86) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 0.000 0.000 17.589) 17.589 0.361 ( 0.000 0.000 17.976) 17.976 0.637 ( 0.000 0.000 19.649) 19.649 0.678 ( 0.000 0.000 -3.474) 3.474 0.680 ( 0.000 0.000 -14.550) 14.550 1.126 ( 0.000 0.000 -16.648) 16.648 1.268 ( 0.000 0.000 8.709) 8.709 1.328 ( 0.000 0.000 10.219) 10.219 1.425 ( 0.000 0.000 -7.093) 7.093 1.524 ( 0.000 0.000 -8.994) 8.994 1.642 ( 0.000 0.000 2.863) 2.863 1.683 ( 0.000 0.000 -1.356) 1.356 1.765 ( 0.000 0.000 -0.524) 0.524 1.778 ( 0.000 0.000 -1.603) 1.603 1.868 ( 0.000 0.000 0.844) 0.844 1.887 ( 0.000 0.000 -0.889) 0.889 1.887 ( 0.000 0.000 5.238) 5.238 1.921 ( 0.000 0.000 2.697) 2.697 1.977 ( 0.000 0.000 1.050) 1.050 1.991 ( 0.000 0.000 -4.539) 4.539 1.999 ( 0.000 0.000 -1.072) 1.072 2.041 ( 0.000 0.000 -7.573) 7.573 2.149 ( 0.000 0.000 0.566) 0.566 2.160 ( 0.000 0.000 -0.453) 0.453 2.231 ( 0.000 0.000 1.650) 1.650 2.262 ( 0.000 0.000 -0.226) 0.226 2.348 ( 0.000 0.000 1.904) 1.904 2.387 ( 0.000 0.000 -1.613) 1.613 2.557 ( 0.000 0.000 2.110) 2.110 2.611 ( 0.000 0.000 -3.141) 3.141 2.672 ( 0.000 0.000 9.692) 9.692 2.767 ( 0.000 0.000 -1.488) 1.488 2.787 ( 0.000 0.000 0.100) 0.100 2.831 ( 0.000 0.000 -2.960) 2.960 3.125 ( 0.000 0.000 0.852) 0.852 3.127 ( 0.000 0.000 0.519) 0.519 3.518 ( 0.000 0.000 0.462) 0.462 3.528 ( 0.000 0.000 -0.499) 0.499 3.543 ( 0.000 0.000 0.261) 0.261 3.548 ( 0.000 0.000 -0.224) 0.224 3.976 ( 0.000 0.000 0.434) 0.434 4.005 ( 0.000 0.000 -2.476) 2.476 4.190 ( 0.000 0.000 0.258) 0.258 4.194 ( 0.000 0.000 -0.161) 0.161 4.499 ( 0.000 0.000 2.551) 2.551 4.551 ( 0.000 0.000 -2.376) 2.376 4.602 ( 0.000 0.000 1.577) 1.577 4.652 ( 0.000 0.000 -3.289) 3.289 4.729 ( 0.000 0.000 1.811) 1.811 4.750 ( 0.000 0.000 -0.403) 0.403 4.840 ( 0.000 0.000 3.765) 3.765 4.879 ( 0.000 0.000 2.010) 2.010 4.926 ( 0.000 0.000 -1.378) 1.378 4.966 ( 0.000 0.000 -2.763) 2.763 5.053 ( 0.000 0.000 0.708) 0.708 5.071 ( 0.000 0.000 -1.158) 1.158 5.124 ( 0.000 0.000 1.537) 1.537 5.156 ( 0.000 0.000 -1.706) 1.706 5.242 ( 0.000 0.000 1.775) 1.775 5.271 ( 0.000 0.000 -1.157) 1.157 5.311 ( 0.000 0.000 0.359) 0.359 5.320 ( 0.000 0.000 -0.431) 0.431 5.351 ( 0.000 0.000 2.453) 2.453 5.414 ( 0.000 0.000 -3.667) 3.667 5.688 ( 0.000 0.000 1.527) 1.527 5.710 ( 0.000 0.000 -0.651) 0.651 ======================= Grid point 152 (45/86) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 9.207 -3.422 12.919) 16.229 0.564 ( 12.094 -2.611 12.983) 17.935 0.722 ( 5.257 -2.169 -12.555) 13.783 0.818 ( 9.019 -1.167 -12.249) 15.255 0.911 ( 23.467 -4.483 17.893) 29.848 1.153 ( 7.231 -0.040 -0.839) 7.280 1.328 ( 1.753 1.629 7.531) 7.902 1.427 ( 10.497 -3.521 -5.274) 12.264 1.481 ( 4.401 -0.211 -3.482) 5.615 1.532 ( 1.139 0.486 -6.708) 6.822 1.698 ( 5.289 0.722 2.596) 5.936 1.734 ( 4.837 1.195 -1.313) 5.153 1.782 ( 2.204 0.956 0.168) 2.409 1.793 ( 2.055 0.996 -0.569) 2.353 1.845 ( -1.747 -0.818 2.243) 2.959 1.879 ( -0.882 0.983 -1.086) 1.710 1.897 ( -1.216 -0.838 0.815) 1.687 1.901 ( 0.426 -0.816 0.772) 1.202 1.963 ( -0.518 -1.003 -0.563) 1.262 1.989 ( 1.049 -0.423 -3.370) 3.555 2.044 ( 3.140 -0.518 0.075) 3.183 2.068 ( 3.012 0.299 -3.289) 4.470 2.125 ( -2.049 0.133 -0.773) 2.193 2.128 ( -1.535 -0.450 -1.425) 2.142 2.236 ( 0.432 -0.415 1.430) 1.550 2.259 ( 0.275 -0.033 0.134) 0.308 2.408 ( 5.693 1.591 2.151) 6.291 2.446 ( 5.813 3.721 -1.672) 7.101 2.557 ( -0.302 -3.637 1.861) 4.097 2.612 ( -0.194 -2.957 -2.650) 3.976 2.662 ( -0.813 -0.625 10.023) 10.076 2.785 ( 1.594 -0.059 -2.282) 2.784 2.824 ( 3.196 0.456 -0.321) 3.244 2.840 ( 1.462 0.295 -2.085) 2.564 3.098 ( -2.517 -0.078 1.066) 2.734 3.107 ( -1.937 -0.254 0.132) 1.958 3.562 ( 3.622 -0.368 0.411) 3.663 3.571 ( 2.896 -0.376 -0.438) 2.953 3.639 ( 8.123 -0.218 2.776) 8.587 3.761 ( 11.982 0.776 -11.785) 16.824 3.992 ( 1.116 0.622 -0.571) 1.400 3.996 ( -0.272 0.327 -1.057) 1.139 4.190 ( 0.149 0.482 0.101) 0.514 4.192 ( 0.134 0.441 -0.170) 0.491 4.492 ( -0.400 0.259 2.467) 2.512 4.535 ( -1.927 1.245 0.408) 2.330 4.564 ( -1.896 0.606 3.450) 3.983 4.637 ( -1.666 -0.806 -3.543) 3.997 4.698 ( -0.769 2.888 1.664) 3.421 4.728 ( -2.009 -0.815 -0.940) 2.363 4.817 ( -2.024 0.280 3.165) 3.767 4.834 ( -4.223 -1.186 5.372) 6.936 4.906 ( -1.979 -0.090 -0.282) 2.001 4.921 ( -4.072 -0.291 4.293) 5.924 4.955 ( -1.741 -1.065 -2.597) 3.303 5.009 ( -4.761 -0.136 -3.594) 5.967 5.120 ( -0.605 -0.301 2.190) 2.292 5.158 ( -0.106 -0.284 -1.697) 1.724 5.260 ( 1.659 -0.096 1.955) 2.566 5.294 ( 2.107 -0.075 -1.331) 2.493 5.315 ( 0.527 0.367 0.953) 1.149 5.336 ( 1.035 -0.556 -0.796) 1.419 5.423 ( 3.485 0.113 -0.337) 3.503 5.449 ( 2.651 -0.611 -2.673) 3.814 5.716 ( 2.929 1.316 2.035) 3.802 5.758 ( 3.244 2.686 -2.274) 4.786 ======================= Grid point 153 (46/86) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 13.634 -2.527 7.266) 15.655 0.804 ( 10.906 -3.488 5.037) 12.509 0.895 ( 11.039 -1.873 -6.488) 12.941 0.959 ( 5.926 -2.385 -5.340) 8.326 1.364 ( 10.529 1.992 3.734) 11.347 1.380 ( 5.974 2.091 3.633) 7.298 1.419 ( 21.545 -0.351 6.300) 22.450 1.542 ( 2.918 0.380 -0.864) 3.067 1.564 ( 2.862 0.569 -2.196) 3.652 1.652 ( 7.488 -0.826 -6.497) 9.948 1.771 ( -0.463 1.692 2.086) 2.725 1.789 ( 2.478 1.567 1.580) 3.331 1.824 ( 0.099 -1.071 1.706) 2.017 1.832 ( 2.598 -0.694 -0.566) 2.748 1.877 ( 5.335 -1.519 -1.073) 5.650 1.884 ( 2.733 -0.784 -0.145) 2.847 1.926 ( 3.372 -2.170 -1.403) 4.248 1.934 ( 3.294 -1.251 -1.809) 3.961 1.981 ( 2.367 0.090 -0.521) 2.425 2.009 ( 1.480 0.620 -2.565) 3.026 2.083 ( -0.459 -0.009 0.510) 0.686 2.132 ( 2.403 -0.312 -5.708) 6.201 2.157 ( 8.113 -0.490 0.636) 8.152 2.178 ( 6.515 0.195 -2.361) 6.932 2.260 ( 2.183 -1.462 2.236) 3.450 2.283 ( 2.132 -2.023 0.331) 2.958 2.489 ( 1.863 4.722 1.101) 5.194 2.499 ( 4.553 4.627 0.442) 6.507 2.613 ( 2.096 -5.013 0.148) 5.436 2.653 ( 1.463 -0.953 6.882) 7.100 2.673 ( 2.827 -3.696 1.147) 4.792 2.810 ( 1.148 0.018 -3.883) 4.049 2.868 ( 1.260 1.944 -0.408) 2.352 2.880 ( 1.912 1.034 -0.930) 2.364 3.038 ( -3.510 -1.053 1.772) 4.071 3.061 ( -2.814 -0.620 -0.618) 2.947 3.636 ( 3.331 -0.925 0.149) 3.460 3.639 ( 3.561 -0.824 -0.099) 3.657 3.781 ( 5.206 -0.060 3.242) 6.133 3.890 ( 2.396 0.882 -7.778) 8.186 3.973 ( -0.777 -0.056 2.135) 2.272 4.025 ( 1.189 -0.066 -2.839) 3.078 4.197 ( 1.688 1.070 0.632) 2.096 4.217 ( 2.909 1.121 -1.729) 3.565 4.480 ( -0.587 0.813 3.513) 3.653 4.494 ( -1.858 -0.499 3.099) 3.648 4.543 ( -0.820 0.158 0.434) 0.941 4.604 ( -1.881 -0.973 -3.447) 4.045 4.679 ( -0.108 1.220 1.251) 1.751 4.708 ( 0.111 0.234 -0.835) 0.874 4.775 ( -1.946 -0.182 3.655) 4.145 4.778 ( -1.353 0.133 2.225) 2.607 4.843 ( -2.935 1.184 -0.866) 3.281 4.888 ( -2.389 0.210 -0.072) 2.400 4.901 ( -2.112 -0.894 -0.463) 2.340 4.954 ( -1.371 -0.854 -3.396) 3.760 5.098 ( -1.939 -0.560 2.900) 3.533 5.146 ( -1.463 -0.595 -1.960) 2.517 5.286 ( 0.344 0.068 2.008) 2.039 5.326 ( 0.170 -0.154 -1.812) 1.827 5.335 ( 1.919 0.418 1.454) 2.444 5.364 ( 2.287 -0.065 -0.971) 2.486 5.498 ( 4.606 0.069 -0.198) 4.611 5.512 ( 3.705 -0.115 -1.542) 4.015 5.768 ( 3.045 2.080 1.298) 3.909 5.790 ( 1.945 3.181 -0.797) 3.813 ======================= Grid point 154 (47/86) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 11.157 -0.497 3.569) 11.724 1.018 ( 9.260 -2.083 -0.505) 9.504 1.107 ( 9.095 -1.910 0.826) 9.330 1.144 ( 12.605 -0.847 -3.332) 13.066 1.455 ( 4.472 2.095 3.417) 6.005 1.522 ( 6.162 1.674 -2.605) 6.897 1.585 ( 3.118 0.841 1.044) 3.394 1.609 ( 2.972 2.575 -0.751) 4.003 1.653 ( 3.687 5.858 1.037) 6.999 1.691 ( 0.603 3.412 -2.172) 4.089 1.759 ( -0.808 0.231 4.042) 4.129 1.795 ( -0.992 -0.411 3.169) 3.346 1.829 ( -0.675 -0.196 0.932) 1.167 1.850 ( -0.440 -0.224 -0.666) 0.829 1.914 ( -0.196 0.166 -2.937) 2.949 1.950 ( -0.452 -1.651 -4.286) 4.615 2.009 ( 2.819 -0.628 1.583) 3.293 2.047 ( 3.157 0.912 -0.772) 3.376 2.065 ( 4.576 -1.375 0.319) 4.789 2.084 ( 4.367 -2.180 -2.304) 5.398 2.168 ( 10.912 -3.448 0.654) 11.462 2.214 ( 3.572 -0.897 -3.321) 4.959 2.289 ( 6.356 0.642 1.161) 6.493 2.301 ( 6.780 -0.739 -1.022) 6.896 2.359 ( 3.523 -2.009 0.857) 4.145 2.369 ( 2.093 -2.611 -0.692) 3.417 2.550 ( 7.794 1.691 0.718) 8.007 2.575 ( 6.256 1.968 -1.984) 6.852 2.634 ( 0.911 -0.557 4.965) 5.079 2.720 ( 1.849 0.070 -1.704) 2.515 2.740 ( 5.173 0.054 6.441) 8.261 2.826 ( -1.248 0.004 0.536) 1.358 2.855 ( -0.763 0.582 -3.312) 3.448 2.876 ( -0.720 -0.024 -3.118) 3.201 3.004 ( 0.174 -0.856 1.849) 2.045 3.028 ( -0.062 -1.074 -0.690) 1.278 3.706 ( 2.764 -1.657 0.052) 3.223 3.708 ( 3.233 -1.600 -0.124) 3.610 3.829 ( 0.127 -0.145 2.014) 2.023 3.884 ( -1.534 0.153 -3.282) 3.626 3.966 ( -0.453 -0.153 2.742) 2.784 4.032 ( -0.335 0.069 -3.382) 3.400 4.240 ( 2.129 0.517 1.137) 2.468 4.269 ( 1.887 0.926 -1.858) 2.806 4.439 ( -3.050 1.258 2.025) 3.871 4.463 ( -0.868 0.318 0.403) 1.008 4.531 ( 0.350 0.475 1.994) 2.079 4.592 ( 0.353 -0.417 -3.418) 3.461 4.693 ( 1.949 0.258 2.158) 2.919 4.719 ( 0.910 0.425 1.814) 2.074 4.763 ( 0.858 0.400 2.872) 3.024 4.775 ( 0.842 0.213 -1.289) 1.555 4.799 ( -0.519 1.286 -1.455) 2.010 4.838 ( -1.477 0.096 -3.393) 3.702 4.900 ( 0.656 -0.769 2.376) 2.582 4.944 ( -0.107 -0.570 -2.148) 2.225 5.056 ( -2.424 -0.189 3.063) 3.911 5.111 ( -2.250 -0.167 -2.430) 3.316 5.273 ( -1.035 1.089 1.869) 2.398 5.310 ( -1.275 0.887 -1.625) 2.248 5.373 ( 1.789 0.266 1.613) 2.423 5.407 ( 1.642 0.004 -1.561) 2.266 5.587 ( 4.047 0.440 -0.036) 4.071 5.595 ( 4.691 -0.066 -0.709) 4.745 5.801 ( 1.049 3.195 0.345) 3.381 5.804 ( 1.803 2.473 0.058) 3.061 ======================= Grid point 155 (48/86) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 4.788 -1.017 2.734) 5.606 1.180 ( 6.470 -0.612 -3.089) 7.196 1.308 ( 9.884 1.550 2.503) 10.313 1.365 ( 9.132 1.262 -3.040) 9.707 1.513 ( 3.458 2.309 4.329) 6.003 1.603 ( 1.463 3.028 -2.955) 4.476 1.627 ( 3.771 1.557 -0.226) 4.086 1.638 ( 2.375 2.897 -0.729) 3.816 1.699 ( 4.915 2.095 1.600) 5.577 1.720 ( 2.609 0.899 -0.300) 2.776 1.724 ( -1.275 0.909 3.255) 3.613 1.767 ( -1.361 0.323 2.400) 2.777 1.808 ( -0.995 -0.202 0.817) 1.303 1.835 ( -0.893 0.351 -1.069) 1.437 1.896 ( -0.882 0.780 -2.374) 2.650 1.944 ( -0.358 -0.158 -4.026) 4.045 2.026 ( -0.222 -0.510 0.398) 0.684 2.078 ( 0.224 -0.228 -3.285) 3.300 2.115 ( 0.551 -0.650 1.133) 1.418 2.140 ( 0.216 -1.273 -1.596) 2.052 2.243 ( -1.352 -1.392 4.104) 4.539 2.319 ( -1.515 -1.271 -3.305) 3.852 2.343 ( -0.818 -2.162 1.669) 2.851 2.366 ( -2.164 0.221 -0.587) 2.253 2.391 ( 1.582 -2.449 -0.014) 2.915 2.408 ( 0.882 -0.393 -1.168) 1.516 2.579 ( -1.182 0.814 2.873) 3.212 2.604 ( -3.053 1.459 -0.393) 3.406 2.747 ( -0.166 0.152 2.478) 2.488 2.761 ( 2.707 -2.306 3.429) 4.940 2.799 ( 1.160 0.451 -2.466) 2.762 2.855 ( 7.456 -0.612 -4.240) 8.599 2.944 ( 12.924 1.953 1.410) 13.147 2.958 ( 10.260 1.220 0.339) 10.338 3.067 ( 5.815 0.115 0.737) 5.863 3.084 ( 4.653 -1.120 -0.791) 4.850 3.769 ( 2.592 -2.307 -0.010) 3.470 3.773 ( 2.036 -1.770 -0.404) 2.728 3.814 ( -1.138 -0.657 1.607) 2.075 3.851 ( -1.728 -0.264 -2.226) 2.830 3.953 ( -0.848 -0.147 3.250) 3.362 4.019 ( -0.706 -0.171 -3.242) 3.323 4.219 ( -4.011 0.556 1.090) 4.194 4.244 ( -3.706 0.420 -1.241) 3.931 4.418 ( 2.270 2.756 2.682) 4.466 4.470 ( 2.307 1.792 -2.253) 3.689 4.550 ( 1.274 -0.287 2.636) 2.942 4.612 ( 1.125 -0.486 -3.374) 3.590 4.733 ( 1.335 0.360 2.533) 2.886 4.743 ( 2.497 -0.232 2.347) 3.435 4.783 ( 0.848 1.128 -0.667) 1.561 4.794 ( 1.201 -0.028 -1.307) 1.775 4.814 ( 2.302 0.253 -0.525) 2.375 4.836 ( 0.881 -0.225 -1.888) 2.095 4.932 ( 2.265 -0.032 1.557) 2.749 4.957 ( 1.168 -0.469 -0.926) 1.563 5.012 ( -1.980 0.189 2.656) 3.318 5.065 ( -2.314 0.409 -2.543) 3.463 5.240 ( -1.504 1.762 1.813) 2.941 5.274 ( -1.497 1.720 -1.531) 2.746 5.393 ( 0.413 0.227 1.236) 1.322 5.422 ( -0.111 0.027 -1.435) 1.440 5.649 ( 2.565 0.585 0.787) 2.746 5.671 ( 2.982 0.209 -1.371) 3.289 5.796 ( 0.261 2.636 1.079) 2.860 5.812 ( 0.518 2.314 -0.510) 2.425 ======================= Grid point 156 (49/86) ======================= q-point: ( 0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 1.611 -0.886 3.205) 3.695 1.267 ( 2.374 -0.091 -5.209) 5.725 1.419 ( 3.101 3.090 1.745) 4.713 1.454 ( 2.012 2.232 -1.410) 3.320 1.599 ( 3.203 2.334 3.482) 5.275 1.615 ( 4.471 3.557 0.669) 5.753 1.656 ( 1.625 1.865 1.837) 3.081 1.678 ( 0.083 -0.195 3.374) 3.381 1.714 ( -0.134 0.353 0.507) 0.633 1.764 ( 4.186 -0.685 -2.397) 4.872 1.774 ( 1.830 0.352 1.813) 2.600 1.795 ( 3.278 0.576 -1.236) 3.550 1.819 ( 0.924 -0.799 -0.657) 1.387 1.821 ( 0.926 -0.431 -0.671) 1.222 1.888 ( 1.420 1.253 -1.214) 2.249 1.952 ( 1.663 0.828 -5.311) 5.627 2.020 ( -0.046 -0.166 0.808) 0.826 2.062 ( -1.961 -0.572 -2.440) 3.182 2.100 ( -2.809 -0.201 -0.208) 2.824 2.105 ( -4.065 -0.037 -0.414) 4.086 2.190 ( -3.008 -1.749 1.459) 3.773 2.215 ( -5.206 -2.027 -1.113) 5.697 2.263 ( -9.223 -2.115 2.165) 9.707 2.292 ( -6.560 -0.100 -0.610) 6.589 2.372 ( -1.341 0.277 3.681) 3.928 2.443 ( 1.929 -0.082 -2.453) 3.122 2.548 ( -0.428 -0.249 0.037) 0.497 2.569 ( -0.158 -0.081 -2.585) 2.591 2.727 ( 0.921 0.305 3.553) 3.683 2.778 ( -0.800 0.013 -1.123) 1.378 2.890 ( 3.766 -0.415 3.569) 5.205 2.953 ( 3.213 0.614 -2.613) 4.186 3.154 ( 7.704 -0.112 1.000) 7.769 3.167 ( 8.069 0.218 -0.034) 8.072 3.193 ( 5.902 0.864 0.208) 5.968 3.206 ( 7.828 1.430 -0.863) 8.004 3.768 ( -1.743 -0.899 1.403) 2.411 3.802 ( -1.156 -0.723 -1.793) 2.252 3.839 ( 1.915 -1.465 -0.051) 2.412 3.844 ( 1.114 -1.038 -0.413) 1.578 3.949 ( 0.572 -1.178 3.567) 3.800 4.020 ( 0.687 -1.030 -3.395) 3.614 4.123 ( -4.441 1.765 1.407) 4.982 4.157 ( -4.198 1.108 -1.860) 4.724 4.458 ( 2.420 1.760 2.936) 4.192 4.509 ( 1.964 1.064 -1.599) 2.748 4.575 ( 1.117 -0.006 2.167) 2.438 4.631 ( 0.275 -0.780 -2.969) 3.082 4.758 ( 1.396 0.223 0.985) 1.723 4.783 ( 0.689 0.023 -0.325) 0.762 4.800 ( 1.728 -0.039 -0.251) 1.746 4.817 ( 0.898 -0.410 -0.849) 1.302 4.855 ( 1.016 0.393 -0.043) 1.091 4.858 ( 1.722 0.159 0.172) 1.737 4.974 ( 0.367 -0.303 1.708) 1.773 4.983 ( 1.091 0.560 1.223) 1.732 4.994 ( 1.627 -0.084 -0.218) 1.644 5.019 ( -2.081 0.454 -2.054) 2.959 5.203 ( -1.188 1.376 1.826) 2.576 5.239 ( -1.101 1.407 -1.625) 2.415 5.390 ( -0.380 0.235 0.682) 0.815 5.408 ( -1.054 -0.012 -0.995) 1.450 5.678 ( 0.834 0.498 0.987) 1.385 5.705 ( 0.858 0.396 -1.770) 2.006 5.787 ( 0.029 1.347 1.346) 1.904 5.804 ( -0.057 1.408 -0.487) 1.491 ======================= Grid point 157 (50/86) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 -0.000 3.240) 3.240 1.287 ( 0.000 -0.000 -5.703) 5.703 1.436 ( 0.000 -0.000 1.394) 1.394 1.461 ( 0.000 -0.000 -0.481) 0.481 1.615 ( 0.000 0.000 3.120) 3.120 1.642 ( 0.000 -0.000 0.593) 0.593 1.680 ( 0.000 -0.000 1.966) 1.966 1.693 ( 0.000 -0.000 3.664) 3.664 1.707 ( 0.000 -0.000 1.914) 1.914 1.793 ( 0.000 -0.000 2.426) 2.426 1.805 ( 0.000 -0.000 -3.966) 3.966 1.824 ( 0.000 -0.000 -0.554) 0.554 1.835 ( 0.000 -0.000 -2.417) 2.417 1.855 ( 0.000 -0.000 -2.975) 2.975 1.937 ( -0.000 -0.000 0.926) 0.926 1.980 ( 0.000 -0.000 -2.443) 2.443 2.003 ( 0.000 -0.000 -0.809) 0.809 2.037 ( 0.000 -0.000 -3.780) 3.780 2.060 ( -0.000 -0.000 1.002) 1.002 2.068 ( 0.000 -0.000 0.073) 0.073 2.133 ( 0.000 0.000 0.079) 0.079 2.138 ( 0.000 -0.000 -0.316) 0.316 2.195 ( 0.000 0.000 -0.102) 0.102 2.197 ( -0.000 -0.000 -0.276) 0.276 2.359 ( 0.000 -0.000 5.894) 5.894 2.462 ( 0.000 -0.000 -3.606) 3.606 2.550 ( 0.000 -0.000 0.318) 0.318 2.572 ( 0.000 -0.000 -2.372) 2.372 2.746 ( 0.000 -0.000 1.936) 1.936 2.761 ( 0.000 -0.000 0.666) 0.666 2.926 ( 0.000 -0.000 3.353) 3.353 2.982 ( 0.000 -0.000 -2.228) 2.228 3.229 ( 0.000 0.000 0.473) 0.473 3.237 ( 0.000 -0.000 -0.299) 0.299 3.263 ( 0.000 -0.000 1.069) 1.069 3.288 ( 0.000 -0.000 -1.312) 1.312 3.750 ( 0.000 -0.000 1.694) 1.694 3.786 ( 0.000 -0.000 -1.635) 1.635 3.861 ( 0.000 -0.000 0.003) 0.003 3.862 ( 0.000 -0.000 -0.034) 0.034 3.980 ( -0.000 0.000 2.849) 2.849 4.035 ( 0.000 -0.000 -1.305) 1.305 4.071 ( 0.000 -0.000 -0.875) 0.875 4.091 ( 0.000 -0.000 -1.812) 1.812 4.479 ( 0.000 -0.000 3.128) 3.128 4.525 ( 0.000 -0.000 -0.432) 0.432 4.589 ( 0.000 -0.000 0.862) 0.862 4.633 ( 0.000 -0.000 -2.506) 2.506 4.775 ( 0.000 -0.000 -0.098) 0.098 4.787 ( 0.000 -0.000 -1.084) 1.084 4.821 ( 0.000 -0.000 -0.103) 0.103 4.827 ( 0.000 -0.000 -0.290) 0.290 4.866 ( 0.000 -0.000 0.778) 0.778 4.874 ( 0.000 -0.000 0.377) 0.377 4.971 ( 0.000 -0.000 0.627) 0.627 4.990 ( 0.000 -0.000 -1.185) 1.185 5.008 ( 0.000 -0.000 0.604) 0.604 5.011 ( 0.000 -0.000 0.392) 0.392 5.186 ( 0.000 -0.000 1.800) 1.800 5.223 ( 0.000 -0.000 -1.688) 1.688 5.385 ( 0.000 -0.000 0.240) 0.240 5.394 ( 0.000 -0.000 -0.623) 0.623 5.683 ( 0.000 -0.000 0.988) 0.988 5.711 ( 0.000 -0.000 -1.790) 1.790 5.783 ( 0.000 -0.000 1.306) 1.306 5.799 ( 0.000 -0.000 -0.407) 0.407 ======================= Grid point 165 (51/86) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 14.707 -0.000 7.462) 16.491 0.785 ( 11.519 -0.000 5.344) 12.698 0.884 ( 11.650 -0.000 -6.309) 13.249 0.945 ( 5.939 -0.000 -5.312) 7.969 1.382 ( 11.485 -0.000 2.729) 11.804 1.383 ( 6.883 -0.000 8.050) 10.591 1.421 ( 22.536 -0.000 3.945) 22.878 1.545 ( 2.417 -0.000 0.337) 2.440 1.566 ( 3.191 -0.000 -4.504) 5.520 1.644 ( 9.927 -0.000 -7.505) 12.444 1.783 ( -0.697 0.000 4.770) 4.820 1.803 ( -1.054 0.000 1.733) 2.028 1.811 ( 1.622 -0.000 0.959) 1.884 1.831 ( 3.029 -0.000 -1.056) 3.208 1.868 ( 5.120 -0.000 0.401) 5.136 1.887 ( 1.718 -0.000 -2.378) 2.933 1.904 ( 1.170 -0.000 -2.132) 2.432 1.927 ( 4.675 -0.000 -2.364) 5.238 1.984 ( 2.991 -0.000 0.320) 3.008 2.012 ( 1.809 -0.000 -2.489) 3.077 2.083 ( -0.708 0.000 0.410) 0.819 2.128 ( 2.218 -0.000 -6.496) 6.864 2.155 ( 8.779 -0.000 0.992) 8.835 2.182 ( 7.480 -0.000 -1.840) 7.703 2.250 ( 1.344 -0.000 2.224) 2.599 2.270 ( 1.082 -0.000 0.412) 1.158 2.522 ( 0.371 -0.000 1.378) 1.427 2.547 ( 5.783 -0.000 4.048) 7.059 2.563 ( 1.828 -0.000 -3.001) 3.514 2.638 ( 5.319 -0.000 -3.769) 6.519 2.656 ( 0.810 -0.000 11.505) 11.534 2.810 ( 1.143 -0.000 -4.086) 4.243 2.879 ( 1.147 -0.000 -0.742) 1.367 2.887 ( 1.844 -0.000 -0.756) 1.993 3.032 ( -3.761 0.000 2.015) 4.267 3.057 ( -2.839 0.000 -0.674) 2.918 3.631 ( 3.263 -0.000 0.186) 3.268 3.635 ( 3.490 -0.000 -0.118) 3.492 3.781 ( 5.273 -0.000 3.348) 6.246 3.895 ( 2.101 -0.000 -8.287) 8.550 3.973 ( -0.998 0.000 2.205) 2.421 4.024 ( 1.129 -0.000 -2.652) 2.882 4.204 ( 1.506 -0.000 0.501) 1.587 4.223 ( 2.957 -0.000 -1.915) 3.523 4.485 ( -0.819 0.000 1.861) 2.033 4.492 ( -2.084 0.000 4.424) 4.890 4.544 ( -0.643 0.000 0.123) 0.654 4.597 ( -1.636 0.000 -3.116) 3.519 4.689 ( -0.915 0.000 1.235) 1.537 4.707 ( 0.518 -0.000 0.327) 0.612 4.774 ( -1.354 0.000 3.063) 3.349 4.778 ( -1.584 0.000 2.053) 2.593 4.850 ( -2.927 0.000 -0.658) 3.000 4.889 ( -0.513 0.000 2.771) 2.818 4.896 ( -3.836 0.000 -3.121) 4.946 4.949 ( -1.168 0.000 -3.442) 3.635 5.095 ( -1.825 0.000 2.817) 3.356 5.142 ( -1.381 0.000 -2.001) 2.431 5.286 ( 0.558 -0.000 2.000) 2.077 5.325 ( 0.345 -0.000 -1.791) 1.824 5.337 ( 1.833 -0.000 1.498) 2.367 5.364 ( 2.401 -0.000 -0.796) 2.530 5.498 ( 4.583 -0.000 -0.249) 4.590 5.512 ( 3.873 -0.000 -1.696) 4.229 5.780 ( 2.945 -0.000 1.582) 3.343 5.808 ( 1.569 -0.000 -1.185) 1.966 ======================= Grid point 166 (52/86) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 11.264 -0.180 3.331) 11.748 1.002 ( 10.275 -0.724 0.245) 10.303 1.093 ( 10.156 -0.618 1.186) 10.244 1.138 ( 13.448 -0.305 -3.535) 13.908 1.471 ( 4.039 0.716 2.596) 4.855 1.536 ( 5.725 0.703 -3.180) 6.587 1.591 ( 3.324 0.309 1.976) 3.879 1.629 ( 3.242 0.926 -1.189) 3.575 1.710 ( 3.137 3.467 0.449) 4.697 1.725 ( -0.315 2.163 -0.700) 2.295 1.755 ( -0.053 -0.760 4.944) 5.002 1.790 ( -0.165 -0.443 2.473) 2.518 1.824 ( -0.638 -0.601 1.144) 1.441 1.848 ( -0.461 -0.160 -1.002) 1.115 1.916 ( 0.043 0.285 -3.770) 3.781 1.933 ( 0.411 -1.230 -4.555) 4.736 2.001 ( 4.424 -0.572 2.453) 5.091 2.049 ( 5.330 -0.469 -0.617) 5.386 2.056 ( 4.018 -0.112 0.190) 4.024 2.067 ( 3.507 -0.585 -2.175) 4.168 2.144 ( 9.321 -0.988 1.018) 9.429 2.207 ( 4.155 -0.391 -5.307) 6.751 2.299 ( 4.751 1.184 1.373) 5.086 2.307 ( 5.311 1.103 0.053) 5.425 2.336 ( 5.296 -1.816 0.259) 5.604 2.342 ( 4.366 -2.041 -0.587) 4.855 2.561 ( 6.356 0.488 0.850) 6.432 2.589 ( 3.384 0.568 -2.587) 4.298 2.630 ( 2.267 -0.119 5.522) 5.970 2.721 ( 0.515 0.087 -1.710) 1.788 2.743 ( 8.399 0.248 7.366) 11.174 2.825 ( -1.700 -0.047 -0.505) 1.774 2.861 ( -3.348 0.431 -2.226) 4.043 2.874 ( 2.047 -0.260 -3.952) 4.458 2.997 ( 0.665 -0.304 1.834) 1.974 3.019 ( -0.595 -0.457 -0.536) 0.922 3.693 ( 2.574 -0.591 0.091) 2.643 3.695 ( 3.179 -0.571 -0.126) 3.232 3.828 ( -0.019 -0.064 2.061) 2.062 3.885 ( -1.756 0.037 -3.404) 3.830 3.965 ( -0.363 -0.092 2.799) 2.824 4.032 ( -0.299 -0.011 -3.428) 3.441 4.244 ( 1.668 0.163 1.141) 2.028 4.276 ( 1.436 0.341 -2.255) 2.695 4.452 ( -1.710 0.909 1.669) 2.557 4.463 ( -0.620 -0.273 1.519) 1.663 4.536 ( 0.097 0.312 1.131) 1.177 4.588 ( 0.536 -0.258 -3.211) 3.266 4.695 ( 1.546 0.124 2.363) 2.827 4.721 ( 0.890 0.014 2.624) 2.771 4.767 ( 0.799 0.292 2.054) 2.223 4.775 ( 0.851 -0.108 -1.444) 1.680 4.810 ( -0.618 0.621 -1.250) 1.526 4.839 ( -1.861 -0.017 -3.470) 3.937 4.895 ( 1.038 -0.250 2.614) 2.823 4.940 ( 0.010 -0.206 -2.230) 2.239 5.055 ( -2.192 -0.052 3.009) 3.723 5.109 ( -1.939 -0.065 -2.494) 3.160 5.282 ( -0.773 0.367 1.881) 2.066 5.316 ( -0.923 0.303 -1.482) 1.772 5.375 ( 1.720 0.113 1.542) 2.312 5.408 ( 1.650 0.003 -1.429) 2.183 5.590 ( 4.054 0.211 -0.307) 4.072 5.594 ( 4.823 -0.048 -0.591) 4.860 5.823 ( 1.635 0.911 0.328) 1.900 5.826 ( 0.603 1.189 0.051) 1.334 ======================= Grid point 167 (53/86) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 4.741 -0.647 3.148) 5.727 1.175 ( 6.915 -0.324 -2.947) 7.524 1.321 ( 11.217 0.844 2.306) 11.483 1.375 ( 10.012 0.549 -2.913) 10.441 1.530 ( 3.281 0.868 3.697) 5.019 1.624 ( 3.628 0.894 -4.773) 6.061 1.652 ( 2.139 2.515 1.196) 3.512 1.671 ( 2.299 2.746 -0.208) 3.587 1.711 ( 0.796 -0.384 1.315) 1.585 1.718 ( 1.124 0.002 1.993) 2.288 1.743 ( -0.048 1.384 0.826) 1.612 1.772 ( -1.185 0.555 2.513) 2.833 1.810 ( -0.719 0.374 1.718) 1.900 1.841 ( -0.036 0.654 -1.191) 1.360 1.901 ( -0.802 0.233 -2.909) 3.027 1.940 ( 0.271 -0.481 -4.619) 4.651 2.021 ( -0.317 -0.340 0.983) 1.088 2.075 ( -0.353 -0.289 -3.215) 3.247 2.109 ( 0.676 -0.437 1.076) 1.344 2.127 ( 0.552 -0.944 -1.319) 1.714 2.235 ( -1.880 -0.251 3.764) 4.215 2.303 ( 2.137 -1.435 -1.389) 2.925 2.322 ( -4.863 -1.240 0.184) 5.022 2.361 ( -0.878 -1.504 -2.423) 2.984 2.375 ( 1.362 0.086 1.469) 2.005 2.410 ( 2.519 0.299 -1.567) 2.982 2.589 ( -2.215 0.966 3.649) 4.377 2.617 ( -4.949 0.887 -0.272) 5.035 2.732 ( 6.912 -2.199 5.033) 8.829 2.750 ( -2.938 0.079 1.336) 3.228 2.804 ( 2.297 0.645 -3.032) 3.858 2.837 ( 8.406 -2.042 -4.602) 9.799 2.960 ( 12.465 0.910 2.419) 12.730 2.989 ( 8.855 3.529 -0.275) 9.536 3.064 ( 5.958 -1.312 -0.023) 6.100 3.070 ( 5.954 -0.637 -0.350) 5.998 3.749 ( 2.658 -1.358 0.266) 2.996 3.757 ( 2.331 -1.044 -0.594) 2.623 3.807 ( -1.484 -0.433 1.714) 2.308 3.848 ( -1.980 -0.196 -2.442) 3.150 3.952 ( -0.898 -0.028 3.240) 3.362 4.018 ( -0.901 -0.059 -3.191) 3.317 4.225 ( -3.342 0.413 0.985) 3.508 4.249 ( -3.475 0.396 -1.273) 3.723 4.447 ( 2.061 2.307 2.273) 3.839 4.482 ( 2.085 0.244 -0.619) 2.189 4.549 ( 1.197 0.029 1.511) 1.928 4.606 ( 0.861 -0.485 -3.627) 3.759 4.736 ( 1.905 0.107 2.348) 3.025 4.741 ( 1.684 -0.107 3.044) 3.481 4.791 ( 0.881 0.213 -2.405) 2.570 4.795 ( 1.146 0.280 0.960) 1.521 4.818 ( 1.628 0.472 -1.462) 2.238 4.832 ( 1.133 -0.431 -1.484) 1.916 4.932 ( 2.587 0.067 1.211) 2.857 4.952 ( 1.104 -0.398 -0.811) 1.427 5.014 ( -1.824 0.191 2.749) 3.305 5.069 ( -2.139 0.301 -2.665) 3.431 5.255 ( -1.539 0.955 1.838) 2.580 5.289 ( -1.483 0.927 -1.481) 2.292 5.395 ( 0.401 0.142 1.164) 1.239 5.422 ( -0.116 0.009 -1.324) 1.329 5.655 ( 2.555 0.363 0.606) 2.651 5.673 ( 3.095 0.117 -1.194) 3.319 5.820 ( -0.332 1.568 0.876) 1.826 5.833 ( 0.125 1.345 -0.392) 1.407 ======================= Grid point 168 (54/86) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 1.907 -0.651 3.675) 4.191 1.267 ( 2.607 0.042 -5.481) 6.070 1.451 ( 2.557 2.454 1.445) 3.827 1.476 ( 1.802 1.647 -0.696) 2.539 1.619 ( 3.632 1.166 4.671) 6.031 1.648 ( 2.036 1.992 0.861) 2.976 1.678 ( -0.379 2.042 0.271) 2.094 1.680 ( 1.626 0.922 1.583) 2.449 1.720 ( 0.114 0.912 0.862) 1.260 1.758 ( 3.759 -0.389 -2.579) 4.575 1.770 ( 1.431 -0.951 1.218) 2.106 1.799 ( 2.909 -0.991 -0.326) 3.090 1.804 ( 1.116 -0.181 0.551) 1.258 1.830 ( -0.434 1.235 -2.262) 2.613 1.902 ( 1.481 1.190 -0.424) 1.946 1.959 ( 1.626 0.423 -5.245) 5.507 2.018 ( 0.646 -0.303 1.137) 1.342 2.054 ( -1.780 -0.880 -2.036) 2.844 2.099 ( -2.661 0.027 -0.043) 2.662 2.107 ( -3.030 0.312 -0.624) 3.109 2.167 ( -3.429 -2.086 1.471) 4.275 2.195 ( -4.746 -1.459 -1.109) 5.088 2.239 ( -8.993 -1.975 2.759) 9.612 2.286 ( -7.178 -0.927 -1.840) 7.467 2.379 ( -0.608 0.976 3.790) 3.961 2.447 ( 2.112 0.742 -2.008) 3.007 2.544 ( -0.544 -0.447 0.061) 0.707 2.567 ( -0.326 -0.269 -2.983) 3.012 2.732 ( 0.955 0.466 3.559) 3.714 2.777 ( -0.726 -0.086 -0.545) 0.911 2.885 ( 3.955 -0.512 3.736) 5.464 2.957 ( 2.946 0.135 -3.287) 4.416 3.153 ( 7.629 -0.032 1.309) 7.740 3.172 ( 7.585 0.622 -0.437) 7.623 3.201 ( 6.665 0.514 0.616) 6.713 3.221 ( 7.588 1.121 -1.113) 7.750 3.758 ( -1.524 -0.753 1.371) 2.184 3.793 ( -0.345 -0.795 -1.990) 2.170 3.825 ( 2.199 -1.036 0.265) 2.445 3.832 ( 1.200 -1.074 -0.489) 1.683 3.940 ( 0.029 -0.438 3.560) 3.587 4.012 ( 0.378 -0.555 -3.340) 3.407 4.142 ( -4.122 1.463 1.075) 4.504 4.169 ( -3.858 0.981 -1.585) 4.285 4.476 ( 1.514 1.603 2.873) 3.622 4.516 ( 1.164 0.069 0.004) 1.166 4.577 ( 1.669 0.514 0.491) 1.814 4.621 ( 0.131 -1.065 -2.919) 3.110 4.761 ( 1.319 0.281 1.115) 1.750 4.781 ( 1.072 -0.303 0.356) 1.170 4.801 ( 0.922 0.211 -1.256) 1.572 4.812 ( 0.859 -0.346 -1.145) 1.473 4.858 ( 1.453 0.150 0.502) 1.545 4.860 ( 1.544 0.203 0.553) 1.653 4.971 ( 0.437 -0.154 1.490) 1.560 4.988 ( 1.719 0.132 0.623) 1.833 4.993 ( 0.924 0.063 0.364) 0.995 5.024 ( -2.228 0.398 -2.150) 3.122 5.216 ( -1.749 0.958 1.851) 2.721 5.252 ( -1.650 0.965 -1.636) 2.516 5.393 ( -0.385 0.193 0.569) 0.714 5.408 ( -1.113 -0.031 -0.853) 1.402 5.683 ( 0.657 0.362 0.920) 1.188 5.709 ( 0.790 0.242 -1.688) 1.879 5.801 ( -0.714 1.103 1.315) 1.859 5.819 ( -0.699 1.086 -0.511) 1.388 ======================= Grid point 169 (55/86) ======================= q-point: ( 0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.423 -0.216 3.374) 3.408 1.289 ( 0.072 0.216 -5.814) 5.819 1.444 ( -1.401 1.385 1.279) 2.349 1.467 ( -1.234 0.991 -0.387) 1.630 1.611 ( -1.682 -0.590 2.730) 3.261 1.637 ( -3.317 -0.781 0.211) 3.414 1.683 ( 0.229 0.426 2.200) 2.253 1.687 ( -2.230 -1.195 4.869) 5.487 1.704 ( -0.307 -0.376 1.320) 1.406 1.786 ( 0.413 -0.451 1.284) 1.422 1.815 ( 0.203 0.549 -4.772) 4.807 1.823 ( 0.600 0.133 -1.035) 1.204 1.840 ( 0.448 0.799 -0.644) 1.120 1.856 ( 1.101 0.270 -2.558) 2.798 1.938 ( -0.880 0.266 1.037) 1.386 1.980 ( 1.019 -0.063 -1.425) 1.753 2.003 ( -0.798 0.023 -1.470) 1.673 2.037 ( -0.894 -0.157 -3.675) 3.786 2.059 ( -2.702 -0.250 1.039) 2.906 2.068 ( -0.134 0.055 -0.153) 0.211 2.125 ( 2.025 -1.197 0.212) 2.362 2.137 ( 3.641 -0.330 -0.736) 3.730 2.188 ( -0.965 -0.910 0.128) 1.332 2.197 ( 1.889 -0.085 -0.484) 1.952 2.365 ( -0.139 0.882 5.897) 5.964 2.467 ( 0.272 0.770 -3.583) 3.674 2.549 ( 0.154 -0.133 0.348) 0.403 2.571 ( 0.143 -0.086 -2.377) 2.383 2.748 ( -0.371 0.269 1.851) 1.907 2.761 ( 0.223 -0.013 0.723) 0.757 2.926 ( 0.233 -0.055 3.400) 3.409 2.982 ( -0.197 0.031 -2.222) 2.231 3.229 ( -0.066 -0.001 0.480) 0.485 3.237 ( -0.322 0.056 -0.322) 0.459 3.263 ( -0.885 0.029 1.078) 1.395 3.289 ( -0.951 0.063 -1.324) 1.631 3.750 ( 0.642 -0.087 1.696) 1.815 3.786 ( 0.406 -0.053 -1.651) 1.700 3.860 ( 0.713 -0.225 0.005) 0.747 3.861 ( 0.493 -0.184 -0.064) 0.530 3.975 ( 2.623 -0.764 2.919) 3.998 4.036 ( 0.256 -0.039 -2.286) 2.301 4.073 ( -0.321 0.602 0.129) 0.694 4.099 ( -2.238 1.160 -1.887) 3.149 4.476 ( -1.247 -0.418 3.232) 3.489 4.524 ( -0.388 -0.029 -0.573) 0.692 4.589 ( -0.462 -0.019 0.865) 0.981 4.632 ( 0.813 -0.100 -2.472) 2.604 4.775 ( -0.098 0.142 -0.082) 0.191 4.786 ( -0.101 -0.094 -0.944) 0.954 4.820 ( 0.529 -0.091 -0.230) 0.583 4.827 ( 0.251 -0.102 -0.494) 0.563 4.863 ( -0.855 -0.254 1.183) 1.482 4.877 ( 0.227 0.462 0.196) 0.551 4.971 ( 0.061 0.105 0.516) 0.530 4.988 ( -0.540 -0.249 -1.115) 1.264 5.008 ( -0.401 -0.045 0.624) 0.743 5.011 ( 0.284 0.032 0.387) 0.481 5.186 ( -0.854 -0.028 1.795) 1.988 5.223 ( -0.903 -0.040 -1.691) 1.918 5.385 ( -0.242 0.080 0.203) 0.326 5.394 ( 0.086 -0.071 -0.580) 0.591 5.683 ( -0.348 -0.021 0.979) 1.040 5.710 ( -0.331 -0.039 -1.789) 1.820 5.784 ( -0.677 0.086 1.319) 1.485 5.800 ( -0.764 0.126 -0.419) 0.880 ======================= Grid point 170 (56/86) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -1.119 0.732 2.859) 3.156 1.270 ( -2.141 0.358 -4.933) 5.389 1.386 ( -4.765 -2.604 1.922) 5.760 1.430 ( -3.029 -1.933 -2.157) 4.191 1.569 ( -2.630 -2.941 1.940) 4.396 1.574 ( -5.559 -3.652 1.871) 6.910 1.637 ( -1.946 -1.574 3.775) 4.530 1.682 ( -0.390 0.487 3.287) 3.346 1.709 ( -0.443 -0.475 0.124) 0.661 1.761 ( -3.357 -1.470 -0.256) 3.674 1.776 ( -4.021 1.158 -0.989) 4.300 1.793 ( -3.565 0.262 -1.366) 3.826 1.822 ( 0.547 0.590 0.650) 1.034 1.835 ( -1.697 1.251 -0.545) 2.178 1.874 ( -2.082 -1.242 -2.070) 3.188 1.941 ( -1.814 -0.955 -5.148) 5.541 2.021 ( 0.588 -0.057 0.459) 0.748 2.067 ( 2.042 0.241 -2.688) 3.384 2.103 ( 3.500 0.318 0.008) 3.515 2.108 ( 4.601 0.490 -0.394) 4.643 2.200 ( 3.361 -0.080 1.607) 3.726 2.235 ( 4.822 1.173 -1.608) 5.217 2.285 ( 9.055 1.966 1.063) 9.326 2.292 ( 7.117 0.450 0.724) 7.168 2.374 ( 2.145 0.515 3.831) 4.421 2.449 ( -1.566 0.947 -2.853) 3.389 2.549 ( 0.211 -0.111 0.144) 0.278 2.569 ( -0.150 -0.072 -2.220) 2.226 2.725 ( -0.906 -0.033 3.440) 3.557 2.777 ( 0.727 -0.056 -1.438) 1.612 2.893 ( -3.826 0.062 3.151) 4.957 2.943 ( -4.286 -1.066 -1.856) 4.791 3.155 ( -7.629 0.006 0.731) 7.664 3.168 ( -7.537 0.374 -0.004) 7.547 3.182 ( -5.983 -1.086 0.069) 6.081 3.192 ( -7.669 -1.023 -0.528) 7.755 3.777 ( 1.956 0.713 1.447) 2.536 3.808 ( 1.485 0.421 -1.357) 2.055 3.853 ( -0.692 0.729 -0.339) 1.060 3.855 ( -1.187 1.229 -0.463) 1.770 3.967 ( -1.294 1.902 3.241) 3.975 4.033 ( -0.876 1.198 -3.303) 3.621 4.105 ( 4.695 -1.339 1.770) 5.193 4.146 ( 4.712 -0.760 -2.177) 5.246 4.438 ( -3.102 -1.745 3.002) 4.656 4.494 ( -2.948 -1.446 -2.355) 4.040 4.575 ( -0.811 0.058 2.999) 3.108 4.638 ( -0.381 0.424 -3.028) 3.081 4.757 ( -1.520 -0.077 0.864) 1.750 4.780 ( -0.748 -0.444 -0.770) 1.161 4.802 ( -2.324 0.336 0.886) 2.510 4.821 ( -0.741 0.406 -0.602) 1.037 4.849 ( -0.640 -0.602 -0.364) 0.950 4.857 ( -1.976 -0.043 -0.747) 2.113 4.976 ( -1.573 -0.658 1.167) 2.066 4.978 ( 0.229 0.395 1.960) 2.013 4.993 ( -1.513 -0.221 -0.416) 1.585 5.015 ( 1.819 -0.216 -1.694) 2.494 5.187 ( 0.501 -1.436 1.779) 2.340 5.222 ( 0.416 -1.503 -1.605) 2.237 5.388 ( 0.338 -0.210 0.791) 0.885 5.408 ( 1.011 -0.019 -1.120) 1.509 5.672 ( -1.015 -0.514 1.034) 1.537 5.700 ( -0.962 -0.497 -1.806) 2.106 5.773 ( -0.821 -1.134 1.302) 1.912 5.789 ( -0.732 -1.311 -0.420) 1.559 ======================= Grid point 171 (57/86) ======================= q-point: (-0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -5.205 0.954 2.438) 5.827 1.189 ( -5.782 1.001 -3.311) 6.738 1.287 ( -7.402 -2.328 2.463) 8.141 1.347 ( -7.727 -2.050 -3.306) 8.651 1.481 ( -3.939 -3.048 5.168) 7.178 1.564 ( -0.804 -3.601 -2.075) 4.233 1.610 ( -3.256 -2.113 -0.436) 3.906 1.613 ( -4.377 -1.245 -0.214) 4.556 1.672 ( -5.484 -2.508 2.263) 6.441 1.701 ( -4.518 -1.641 -0.267) 4.814 1.724 ( 0.744 0.176 1.842) 1.994 1.764 ( 1.689 -0.138 1.572) 2.312 1.813 ( 0.424 0.448 0.048) 0.619 1.835 ( 1.078 0.356 -1.306) 1.731 1.885 ( 1.140 -1.108 -1.206) 1.996 1.943 ( 0.870 -0.375 -3.173) 3.312 2.031 ( 0.206 0.367 -0.066) 0.426 2.080 ( -0.607 0.232 -3.388) 3.450 2.123 ( -0.436 0.670 1.261) 1.493 2.153 ( -0.012 1.185 -1.575) 1.971 2.264 ( 1.351 2.065 3.870) 4.590 2.326 ( 3.344 -0.185 -2.173) 3.992 2.358 ( 0.780 0.449 -0.084) 0.904 2.370 ( -0.865 0.979 -0.786) 1.524 2.416 ( -0.329 2.752 0.661) 2.849 2.431 ( 1.396 3.148 -0.405) 3.467 2.572 ( 0.524 -0.517 1.862) 2.002 2.587 ( 1.817 -1.412 -0.214) 2.311 2.744 ( 0.467 -0.405 2.033) 2.125 2.777 ( -3.786 0.218 2.839) 4.737 2.794 ( 0.560 -0.346 -2.460) 2.547 2.837 ( -7.271 -3.613 -2.044) 8.372 2.937 ( -12.974 0.924 1.041) 13.048 2.959 ( -10.722 1.044 -0.874) 10.808 3.065 ( -4.930 -0.276 1.625) 5.198 3.093 ( -3.902 0.516 -1.080) 4.081 3.793 ( -1.283 1.813 -0.045) 2.222 3.797 ( -2.376 2.410 -0.395) 3.407 3.822 ( 0.516 0.877 1.416) 1.744 3.854 ( 1.378 0.319 -1.970) 2.426 3.955 ( 0.513 0.295 3.239) 3.293 4.022 ( 0.245 0.277 -3.308) 3.329 4.214 ( 4.903 -0.300 1.306) 5.082 4.241 ( 4.013 0.034 -1.282) 4.213 4.387 ( -2.607 -2.754 2.817) 4.724 4.446 ( -2.417 -2.476 -2.906) 4.519 4.554 ( -1.385 0.233 3.119) 3.420 4.616 ( -1.332 0.287 -3.162) 3.443 4.728 ( -1.414 -0.571 2.289) 2.750 4.745 ( -3.022 0.080 1.890) 3.565 4.768 ( -1.082 -1.515 -0.093) 1.864 4.795 ( -1.448 0.176 -1.843) 2.350 4.812 ( -2.524 -0.194 -0.217) 2.541 4.837 ( -0.721 0.032 -2.111) 2.231 4.933 ( -1.818 0.122 1.830) 2.583 4.961 ( -1.089 0.311 -1.006) 1.515 5.011 ( 2.170 0.028 2.540) 3.341 5.061 ( 2.544 -0.296 -2.334) 3.466 5.217 ( 1.430 -2.176 1.768) 3.147 5.252 ( 1.493 -2.175 -1.590) 3.080 5.391 ( -0.416 -0.251 1.325) 1.411 5.421 ( 0.105 -0.056 -1.560) 1.564 5.642 ( -2.535 -0.604 0.985) 2.786 5.669 ( -2.780 -0.286 -1.603) 3.222 5.765 ( -1.125 -2.860 1.317) 3.344 5.784 ( -1.082 -2.670 -0.609) 2.944 ======================= Grid point 172 (58/86) ======================= q-point: (-0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -10.118 1.097 3.886) 10.894 1.047 ( -7.590 3.030 -1.942) 8.400 1.134 ( -7.675 2.806 0.063) 8.172 1.156 ( -10.960 1.214 -2.655) 11.342 1.428 ( -4.358 -2.558 4.768) 6.947 1.500 ( -6.851 -2.198 -1.720) 7.398 1.560 ( -4.619 -4.601 -0.754) 6.563 1.573 ( -2.671 -3.773 -1.215) 4.779 1.600 ( -2.505 -2.621 2.748) 4.550 1.657 ( -0.946 -2.711 -2.466) 3.785 1.748 ( 0.449 -1.544 3.498) 3.850 1.800 ( 1.659 0.367 2.003) 2.626 1.829 ( 0.673 -0.014 0.200) 0.702 1.852 ( 0.584 0.163 -0.677) 0.909 1.911 ( 0.800 -0.386 -1.193) 1.488 1.964 ( 1.111 0.699 -3.333) 3.582 2.012 ( -2.856 -0.139 0.922) 3.004 2.037 ( -3.656 -0.512 -0.767) 3.771 2.081 ( -3.538 1.358 0.221) 3.796 2.108 ( -3.260 1.930 -3.096) 4.893 2.217 ( -10.599 4.818 -0.485) 11.652 2.228 ( -3.486 1.694 -0.977) 3.997 2.289 ( -7.766 0.969 1.904) 8.055 2.322 ( -6.200 2.632 -1.287) 6.857 2.377 ( -2.057 1.140 1.171) 2.627 2.395 ( -0.731 1.965 -1.112) 2.374 2.524 ( -9.738 -2.821 0.562) 10.154 2.546 ( -9.062 -3.102 -1.497) 9.695 2.643 ( 0.323 1.092 4.491) 4.633 2.720 ( -2.217 0.075 -1.110) 2.480 2.744 ( -2.966 0.815 4.487) 5.441 2.825 ( 1.272 -0.183 1.839) 2.243 2.849 ( -1.284 -0.358 -4.054) 4.268 2.874 ( 1.967 -0.382 -2.688) 3.353 3.014 ( 0.523 0.973 1.823) 2.131 3.041 ( -0.264 1.200 -0.875) 1.508 3.729 ( -3.028 2.390 -0.010) 3.858 3.730 ( -3.260 2.312 -0.113) 3.998 3.831 ( -0.323 0.201 1.920) 1.957 3.882 ( 1.157 -0.274 -3.032) 3.257 3.967 ( 0.429 -0.130 2.648) 2.685 4.030 ( 0.191 -0.452 -3.291) 3.327 4.232 ( -2.937 -0.894 1.158) 3.281 4.257 ( -2.742 -1.253 -1.319) 3.291 4.426 ( 4.922 -0.958 2.019) 5.405 4.457 ( 1.809 -0.620 -0.578) 1.998 4.528 ( -0.617 -0.091 2.896) 2.962 4.596 ( -0.307 0.173 -3.466) 3.484 4.690 ( -2.333 -0.359 1.702) 2.910 4.711 ( -1.246 -1.143 1.188) 2.066 4.756 ( -0.659 -1.154 3.177) 3.444 4.770 ( -1.138 -0.463 -0.597) 1.366 4.786 ( 0.312 -0.867 -1.889) 2.102 4.837 ( 1.149 -0.071 -3.209) 3.410 4.912 ( 0.010 1.249 2.006) 2.363 4.952 ( 0.389 0.781 -1.966) 2.151 5.059 ( 2.769 0.363 3.097) 4.170 5.113 ( 2.657 0.222 -2.276) 3.506 5.258 ( 1.469 -1.658 1.853) 2.888 5.297 ( 1.914 -1.354 -1.910) 3.024 5.370 ( -1.862 -0.284 1.725) 2.554 5.407 ( -1.615 -0.006 -1.748) 2.380 5.581 ( -3.916 -0.464 0.386) 3.962 5.596 ( -4.531 0.138 -0.900) 4.621 5.758 ( -1.703 -4.269 0.824) 4.670 5.771 ( -2.120 -3.360 -0.366) 3.990 ======================= Grid point 173 (59/86) ======================= q-point: (-0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -10.881 5.090 6.531) 13.673 0.859 ( -9.397 6.115 4.290) 12.004 0.924 ( -9.619 3.318 -6.862) 12.273 0.995 ( -5.773 3.999 -5.216) 8.749 1.339 ( -9.012 -2.457 3.048) 9.826 1.349 ( -8.581 -2.776 2.498) 9.359 1.420 ( -12.879 -0.724 6.057) 14.251 1.532 ( -2.864 -1.840 -3.424) 4.828 1.559 ( -2.906 0.039 2.281) 3.694 1.648 ( -3.496 -1.656 -4.473) 5.914 1.745 ( -1.402 -2.564 1.390) 3.236 1.787 ( -3.492 1.013 -1.259) 3.848 1.824 ( -1.953 -0.325 1.654) 2.580 1.852 ( -0.101 1.902 1.456) 2.398 1.881 ( -5.162 -0.729 -1.006) 5.309 1.911 ( -5.955 2.885 -0.237) 6.621 1.945 ( -2.815 1.284 0.765) 3.187 1.949 ( -4.790 1.986 -0.924) 5.267 1.992 ( -2.223 0.698 -1.930) 3.026 2.007 ( -0.622 1.973 -3.463) 4.033 2.084 ( -0.349 0.329 0.833) 0.961 2.130 ( -3.371 -0.505 -2.721) 4.361 2.167 ( -6.839 1.388 0.025) 6.978 2.190 ( -5.282 2.603 -4.815) 7.607 2.275 ( -3.887 0.864 2.469) 4.685 2.304 ( -3.909 1.117 0.108) 4.067 2.439 ( -2.489 -3.764 1.021) 4.627 2.451 ( -3.433 -3.738 -0.166) 5.078 2.660 ( 0.433 1.059 7.719) 7.803 2.666 ( -2.059 3.876 1.886) 4.777 2.718 ( -1.286 3.649 -1.830) 4.281 2.810 ( -1.229 -0.140 -3.569) 3.777 2.838 ( -1.755 -3.174 0.625) 3.680 2.866 ( -2.371 -1.446 -1.418) 3.118 3.053 ( 3.162 1.681 1.240) 3.790 3.070 ( 2.811 1.024 -0.473) 3.029 3.651 ( -3.510 1.765 0.057) 3.929 3.653 ( -3.747 1.601 -0.046) 4.075 3.782 ( -5.050 0.109 2.954) 5.852 3.877 ( -3.094 -1.387 -6.563) 7.388 3.972 ( 0.189 -0.394 1.930) 1.979 4.023 ( -1.610 -0.686 -3.027) 3.496 4.183 ( -1.769 -1.393 0.801) 2.390 4.200 ( -2.669 -1.613 -1.146) 3.322 4.469 ( -0.283 -0.996 4.933) 5.041 4.502 ( 1.733 0.743 1.124) 2.195 4.544 ( 1.366 0.451 1.434) 2.031 4.610 ( 1.711 -0.101 -3.051) 3.500 4.667 ( -0.506 -1.047 0.604) 1.310 4.703 ( 0.633 -0.165 -1.984) 2.089 4.763 ( 0.795 -1.967 2.008) 2.922 4.784 ( 2.657 0.772 4.435) 5.227 4.826 ( 2.809 -1.675 -1.321) 3.527 4.886 ( 3.652 -0.187 -2.233) 4.285 4.917 ( 1.446 1.952 1.192) 2.706 4.967 ( 1.859 1.475 -3.183) 3.971 5.106 ( 2.198 0.907 3.002) 3.829 5.154 ( 1.628 0.765 -1.818) 2.558 5.284 ( 0.288 -0.304 2.027) 2.070 5.326 ( -1.327 -0.412 0.553) 1.496 5.332 ( -0.514 0.105 -1.147) 1.262 5.365 ( -2.082 0.051 -1.425) 2.524 5.497 ( -4.566 0.005 0.072) 4.566 5.515 ( -3.275 0.340 -1.216) 3.510 5.736 ( -3.277 -3.823 0.684) 5.082 5.744 ( -2.495 -4.512 -0.002) 5.156 ======================= Grid point 174 (60/86) ======================= q-point: (-0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -7.577 8.310 10.745) 15.554 0.617 ( -11.727 6.502 11.264) 17.512 0.765 ( -4.374 5.182 -12.570) 14.283 0.842 ( -8.933 3.018 -11.307) 14.722 1.001 ( -18.044 10.765 14.130) 25.320 1.158 ( -5.786 1.138 1.148) 6.007 1.314 ( -2.038 -0.370 8.661) 8.906 1.464 ( -5.412 1.295 -5.437) 7.780 1.497 ( -7.823 2.669 -3.009) 8.797 1.523 ( -1.283 -0.359 -5.573) 5.730 1.683 ( -5.499 -1.830 1.804) 6.070 1.711 ( -4.991 -2.691 -1.257) 5.808 1.765 ( -1.534 -2.006 0.518) 2.577 1.778 ( -3.190 -1.161 -0.920) 3.517 1.860 ( 1.301 1.419 0.864) 2.111 1.870 ( 1.086 -0.172 -0.793) 1.356 1.909 ( -1.089 0.683 0.751) 1.489 1.913 ( 1.014 1.457 1.291) 2.195 1.979 ( 0.295 1.301 -1.728) 2.183 1.999 ( -0.348 1.713 -2.756) 3.264 2.056 ( -3.491 1.326 -0.467) 3.763 2.063 ( -2.461 -0.407 -1.580) 2.953 2.125 ( 2.463 0.042 -0.280) 2.480 2.136 ( 1.078 1.084 -2.021) 2.534 2.241 ( -0.549 0.100 0.708) 0.901 2.258 ( -1.150 -0.446 0.274) 1.264 2.382 ( -4.795 -2.496 1.045) 5.506 2.401 ( -4.311 -3.369 -0.755) 5.523 2.603 ( -1.074 3.830 2.906) 4.926 2.659 ( 0.623 3.807 0.602) 3.904 2.681 ( 0.382 3.424 4.262) 5.480 2.786 ( -1.511 -0.075 -1.464) 2.106 2.810 ( -2.118 -2.215 -0.415) 3.092 2.833 ( -1.139 -0.895 -2.090) 2.543 3.102 ( 2.273 0.635 1.116) 2.611 3.113 ( 1.949 0.845 -0.044) 2.125 3.570 ( -3.622 1.062 0.409) 3.797 3.579 ( -2.972 1.079 -0.459) 3.195 3.644 ( -7.895 0.553 2.544) 8.313 3.746 ( -11.718 -1.800 -9.200) 15.006 3.981 ( -0.926 -1.456 -0.587) 1.823 3.985 ( -1.042 -1.555 -1.171) 2.208 4.181 ( 0.176 -1.196 0.302) 1.246 4.186 ( 0.158 -0.285 -0.203) 0.384 4.481 ( 0.512 -2.007 4.182) 4.667 4.517 ( 0.810 -1.242 2.690) 3.071 4.560 ( 0.798 -0.025 2.532) 2.654 4.640 ( 0.798 -0.870 -3.499) 3.693 4.674 ( 0.517 -0.955 1.381) 1.757 4.731 ( 1.775 0.313 -2.253) 2.885 4.805 ( 1.785 -1.958 3.237) 4.183 4.846 ( 3.224 0.536 2.348) 4.024 4.899 ( 3.481 -0.759 1.669) 3.935 4.943 ( 4.191 3.031 2.939) 5.948 4.969 ( 3.336 1.171 -2.905) 4.576 5.014 ( 4.088 0.897 -3.559) 5.493 5.126 ( 0.359 0.759 2.187) 2.343 5.163 ( -0.104 0.631 -1.655) 1.774 5.262 ( -1.709 0.251 1.965) 2.616 5.295 ( -2.162 0.178 -1.195) 2.477 5.307 ( -0.886 -1.051 1.157) 1.797 5.345 ( -0.885 0.965 -2.110) 2.484 5.422 ( -3.256 0.085 0.458) 3.289 5.462 ( -1.842 1.659 -2.633) 3.616 5.688 ( -3.536 -3.751 1.706) 5.430 5.714 ( -3.163 -4.186 -0.397) 5.262 ======================= Grid point 175 (61/86) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 0.000 5.794 16.088) 17.099 0.402 ( 0.000 8.511 15.436) 17.627 0.693 ( 0.000 2.261 -13.830) 14.013 0.696 ( 0.000 6.831 -10.111) 12.202 0.737 ( 0.000 13.041 21.450) 25.103 1.127 ( 0.000 0.758 -10.205) 10.233 1.274 ( 0.000 0.931 8.314) 8.366 1.358 ( 0.000 4.748 5.461) 7.236 1.423 ( -0.000 -0.255 -6.760) 6.765 1.520 ( -0.000 -0.795 -8.104) 8.143 1.633 ( -0.000 -1.641 2.539) 3.024 1.668 ( -0.000 -2.520 -1.143) 2.767 1.759 ( -0.000 -0.855 -0.494) 0.988 1.766 ( -0.000 -2.217 -0.915) 2.398 1.871 ( 0.000 0.339 0.790) 0.860 1.885 ( 0.000 0.631 2.994) 3.060 1.889 ( 0.000 0.262 -0.943) 0.979 1.934 ( 0.000 1.218 3.412) 3.623 1.984 ( -0.000 -0.699 -5.409) 5.454 1.984 ( 0.000 1.324 1.204) 1.789 2.009 ( 0.000 1.659 -1.107) 1.994 2.040 ( -0.000 -0.260 -5.497) 5.503 2.154 ( 0.000 0.854 0.473) 0.976 2.163 ( 0.000 0.576 -0.386) 0.694 2.234 ( 0.000 0.434 0.935) 1.031 2.253 ( -0.000 -1.112 0.445) 1.198 2.336 ( -0.000 -2.092 0.900) 2.277 2.364 ( -0.000 -3.441 -1.429) 3.726 2.579 ( 0.000 3.033 2.229) 3.764 2.643 ( 0.000 5.000 -3.987) 6.395 2.680 ( 0.000 1.255 8.721) 8.810 2.767 ( 0.000 0.157 -0.375) 0.407 2.801 ( 0.000 1.215 -1.923) 2.275 2.828 ( -0.000 -0.458 -2.864) 2.900 3.126 ( 0.000 0.210 0.932) 0.955 3.130 ( 0.000 0.618 0.361) 0.716 3.522 ( 0.000 0.682 0.435) 0.810 3.532 ( 0.000 0.599 -0.489) 0.773 3.547 ( 0.000 0.696 0.315) 0.764 3.553 ( 0.000 0.837 -0.263) 0.878 3.968 ( -0.000 -1.359 0.351) 1.403 3.996 ( -0.000 -1.617 -2.330) 2.836 4.187 ( -0.000 -0.755 0.213) 0.785 4.191 ( -0.000 -0.109 -0.189) 0.218 4.495 ( -0.000 -0.824 2.571) 2.700 4.543 ( -0.000 -1.975 -1.338) 2.385 4.581 ( -0.000 -2.645 4.860) 5.533 4.654 ( -0.000 -0.584 -3.699) 3.745 4.691 ( -0.000 -2.937 3.334) 4.443 4.752 ( -0.000 -0.308 -1.023) 1.068 4.834 ( -0.000 -1.353 3.366) 3.628 4.878 ( -0.000 -0.354 1.204) 1.254 4.927 ( 0.000 0.394 0.261) 0.473 4.987 ( 0.000 3.104 -3.271) 4.510 5.052 ( -0.000 -0.095 0.725) 0.731 5.071 ( -0.000 -0.021 -1.186) 1.186 5.125 ( 0.000 0.139 1.562) 1.568 5.157 ( 0.000 0.219 -1.735) 1.749 5.242 ( 0.000 0.122 1.799) 1.803 5.272 ( 0.000 0.169 -1.166) 1.178 5.301 ( -0.000 -2.152 0.708) 2.266 5.317 ( 0.000 0.270 -1.141) 1.173 5.368 ( 0.000 2.225 1.688) 2.793 5.425 ( 0.000 2.133 -3.604) 4.188 5.662 ( -0.000 -4.334 2.899) 5.214 5.690 ( -0.000 -2.211 0.364) 2.240 ======================= Grid point 178 (62/86) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 4.771 -0.000 3.328) 5.817 1.173 ( 7.084 -0.000 -2.890) 7.651 1.326 ( 11.584 -0.000 2.168) 11.785 1.378 ( 10.295 -0.000 -2.873) 10.688 1.534 ( 3.263 -0.000 3.539) 4.814 1.628 ( 3.842 -0.000 -5.052) 6.347 1.670 ( 2.765 -0.000 1.593) 3.191 1.688 ( 2.421 -0.000 0.057) 2.422 1.706 ( 0.182 -0.000 3.139) 3.144 1.716 ( -0.121 0.000 -0.412) 0.429 1.750 ( -1.108 0.000 0.943) 1.455 1.776 ( -1.288 0.000 2.402) 2.726 1.813 ( -0.134 0.000 2.031) 2.036 1.846 ( 0.556 -0.000 -1.156) 1.283 1.902 ( -0.785 0.000 -3.124) 3.221 1.936 ( 0.544 -0.000 -4.813) 4.844 2.019 ( -0.380 0.000 1.200) 1.259 2.073 ( -0.641 0.000 -3.095) 3.161 2.107 ( 0.715 -0.000 1.037) 1.260 2.121 ( 0.713 -0.000 -1.180) 1.379 2.234 ( -2.273 0.000 3.537) 4.204 2.293 ( 3.262 -0.000 0.144) 3.265 2.315 ( -5.776 0.000 -1.183) 5.895 2.351 ( -0.019 0.000 -2.162) 2.162 2.377 ( 0.982 -0.000 1.009) 1.408 2.412 ( 2.914 -0.000 -1.648) 3.348 2.596 ( -2.882 0.000 3.951) 4.891 2.622 ( -6.070 0.000 -0.033) 6.070 2.718 ( 7.772 -0.000 4.889) 9.182 2.751 ( -2.749 0.000 1.466) 3.115 2.812 ( 0.727 -0.000 -3.091) 3.175 2.821 ( 10.872 -0.000 -4.901) 11.926 2.965 ( 11.946 -0.000 3.168) 12.359 3.017 ( 9.477 -0.000 -1.960) 9.678 3.048 ( 4.768 -0.000 1.317) 4.947 3.068 ( 6.931 -0.000 -0.721) 6.968 3.741 ( 2.655 -0.000 0.365) 2.680 3.751 ( 2.430 -0.000 -0.656) 2.517 3.805 ( -1.608 0.000 1.753) 2.379 3.847 ( -2.074 0.000 -2.525) 3.267 3.952 ( -0.885 0.000 3.234) 3.353 4.018 ( -0.949 0.000 -3.171) 3.310 4.227 ( -3.094 0.000 0.956) 3.239 4.251 ( -3.391 0.000 -1.299) 3.631 4.464 ( 2.169 -0.000 1.653) 2.727 4.480 ( 1.752 -0.000 0.852) 1.948 4.550 ( 1.254 -0.000 0.744) 1.458 4.603 ( 0.707 -0.000 -3.769) 3.834 4.736 ( 2.433 -0.000 2.110) 3.221 4.741 ( 1.096 -0.000 3.483) 3.651 4.791 ( 0.883 -0.000 -2.686) 2.827 4.797 ( 1.282 -0.000 1.578) 2.033 4.823 ( 0.744 -0.000 -2.783) 2.881 4.828 ( 1.715 -0.000 -0.496) 1.786 4.933 ( 2.763 -0.000 1.044) 2.953 4.949 ( 1.006 -0.000 -0.748) 1.254 5.016 ( -1.767 0.000 2.786) 3.299 5.071 ( -2.076 0.000 -2.704) 3.409 5.260 ( -1.547 0.000 1.847) 2.409 5.294 ( -1.476 0.000 -1.464) 2.079 5.396 ( 0.393 -0.000 1.136) 1.203 5.422 ( -0.118 0.000 -1.279) 1.284 5.657 ( 2.545 -0.000 0.534) 2.601 5.674 ( 3.131 -0.000 -1.129) 3.329 5.829 ( -0.544 0.000 0.798) 0.966 5.840 ( -0.017 0.000 -0.342) 0.342 ======================= Grid point 179 (63/86) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 2.040 -0.231 3.991) 4.488 1.268 ( 2.762 0.034 -5.628) 6.269 1.470 ( 2.713 0.930 1.191) 3.105 1.488 ( 1.855 0.560 -0.199) 1.948 1.626 ( 3.859 0.296 4.859) 6.212 1.658 ( -0.595 0.222 2.463) 2.543 1.689 ( 1.682 0.447 -0.624) 1.849 1.702 ( -0.597 1.675 -0.598) 1.876 1.737 ( 0.503 1.795 0.926) 2.081 1.755 ( 3.308 -0.209 -2.451) 4.122 1.757 ( 2.266 -1.052 0.061) 2.499 1.780 ( 2.465 -1.722 0.105) 3.009 1.808 ( -0.064 0.305 1.505) 1.537 1.841 ( -0.795 0.554 -2.795) 2.958 1.913 ( 1.926 0.664 0.026) 2.038 1.961 ( 1.663 0.008 -4.594) 4.886 2.015 ( 1.081 -0.156 0.919) 1.428 2.045 ( -1.561 -0.512 -1.766) 2.412 2.100 ( -2.447 0.201 0.252) 2.468 2.110 ( -2.036 0.174 -0.639) 2.141 2.149 ( -4.377 -0.982 1.574) 4.754 2.184 ( -4.431 -0.552 -1.282) 4.646 2.223 ( -8.812 -0.800 2.830) 9.290 2.276 ( -7.482 -0.539 -2.479) 7.901 2.389 ( -0.327 0.530 3.901) 3.950 2.455 ( 2.201 0.432 -1.751) 2.846 2.540 ( -0.683 -0.226 0.086) 0.725 2.564 ( -0.339 -0.176 -3.288) 3.310 2.736 ( 0.951 0.253 3.499) 3.634 2.776 ( -0.569 -0.084 0.008) 0.575 2.880 ( 4.105 -0.226 3.707) 5.535 2.957 ( 3.103 -0.018 -3.679) 4.813 3.153 ( 7.533 0.011 1.517) 7.685 3.178 ( 6.616 0.349 -0.939) 6.691 3.205 ( 7.561 0.136 1.087) 7.640 3.229 ( 7.451 0.419 -1.255) 7.568 3.752 ( -1.397 -0.292 1.359) 1.971 3.786 ( 0.434 -0.360 -1.859) 1.943 3.817 ( 2.215 -0.293 0.143) 2.239 3.822 ( 1.010 -0.514 -0.448) 1.218 3.938 ( -0.221 -0.085 3.476) 3.484 4.008 ( 0.194 -0.160 -3.272) 3.282 4.153 ( -3.924 0.568 0.882) 4.062 4.177 ( -3.696 0.390 -1.431) 3.982 4.492 ( 0.244 1.097 2.802) 3.019 4.511 ( 1.493 -0.621 1.375) 2.122 4.585 ( 2.212 0.702 -0.889) 2.485 4.609 ( -0.250 -0.840 -2.883) 3.014 4.764 ( 1.272 0.171 1.249) 1.790 4.777 ( 1.288 -0.205 0.541) 1.412 4.804 ( 0.526 0.174 -1.477) 1.578 4.809 ( 0.783 -0.201 -1.456) 1.665 4.859 ( 1.605 0.043 0.874) 1.828 4.862 ( 1.601 0.075 0.668) 1.737 4.970 ( 0.424 -0.040 1.349) 1.415 4.987 ( 2.304 -0.059 -0.125) 2.308 4.994 ( 0.325 0.107 1.078) 1.131 5.027 ( -2.346 0.152 -2.178) 3.204 5.223 ( -2.054 0.339 1.862) 2.793 5.259 ( -1.949 0.339 -1.641) 2.571 5.394 ( -0.369 0.076 0.493) 0.621 5.408 ( -1.164 -0.017 -0.754) 1.387 5.686 ( 0.547 0.133 0.871) 1.037 5.711 ( 0.752 0.081 -1.626) 1.793 5.810 ( -1.151 0.425 1.275) 1.770 5.827 ( -1.057 0.408 -0.511) 1.243 ======================= Grid point 180 (64/86) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.685 -0.200 3.633) 3.703 1.291 ( 0.099 0.212 -6.032) 6.036 1.462 ( -1.880 1.708 0.962) 2.717 1.479 ( -2.065 1.063 -0.132) 2.326 1.603 ( -3.518 -0.854 1.962) 4.118 1.627 ( -5.856 -0.892 -0.396) 5.937 1.671 ( -4.188 -1.396 5.838) 7.319 1.689 ( 0.396 0.596 2.413) 2.517 1.700 ( 0.313 -0.293 1.748) 1.800 1.786 ( 0.937 0.214 1.175) 1.518 1.812 ( 0.087 -0.499 -6.008) 6.029 1.828 ( 0.650 0.450 -1.549) 1.739 1.849 ( 0.990 0.653 -0.017) 1.186 1.860 ( 2.087 0.417 -1.928) 2.872 1.943 ( -2.765 0.597 1.133) 3.047 1.976 ( 2.668 -0.635 0.980) 2.912 2.007 ( -1.788 0.746 -3.094) 3.651 2.032 ( -0.977 -0.787 -2.934) 3.191 2.056 ( -4.560 -0.215 1.013) 4.677 2.071 ( -0.790 0.371 -1.092) 1.398 2.109 ( 2.861 -1.473 0.402) 3.243 2.132 ( 6.576 -0.478 -1.347) 6.730 2.180 ( -0.072 -0.561 0.432) 0.712 2.196 ( 2.515 -0.076 -0.720) 2.617 2.375 ( -0.363 0.787 5.923) 5.986 2.476 ( 0.289 0.734 -3.557) 3.644 2.547 ( 0.353 -0.153 0.420) 0.570 2.570 ( 0.299 -0.094 -2.392) 2.413 2.752 ( -0.890 0.334 1.642) 1.898 2.761 ( 0.632 -0.074 0.874) 1.081 2.925 ( 0.419 -0.055 3.496) 3.522 2.982 ( -0.340 0.030 -2.211) 2.238 3.229 ( -0.128 -0.001 0.496) 0.512 3.238 ( -0.540 0.057 -0.367) 0.656 3.264 ( -1.558 0.029 1.096) 1.905 3.289 ( -1.640 0.063 -1.347) 2.123 3.749 ( 1.108 -0.086 1.699) 2.030 3.785 ( 0.701 -0.052 -1.682) 1.823 3.857 ( 1.290 -0.222 0.007) 1.309 3.858 ( 0.906 -0.199 -0.110) 0.934 3.967 ( 3.405 -0.526 3.026) 4.586 4.034 ( 1.514 -0.238 -3.162) 3.514 4.083 ( -1.852 0.861 0.886) 2.227 4.112 ( -2.569 0.884 -1.855) 3.290 4.471 ( -2.067 -0.414 3.429) 4.025 4.524 ( -0.812 -0.045 -0.843) 1.172 4.589 ( -0.799 -0.019 0.869) 1.181 4.631 ( 1.417 -0.099 -2.403) 2.791 4.778 ( -0.123 0.258 -0.062) 0.292 4.784 ( -0.213 -0.227 -0.625) 0.698 4.820 ( 0.755 0.067 -0.544) 0.933 4.825 ( 0.576 -0.253 -0.830) 1.041 4.861 ( -1.320 -0.113 1.736) 2.184 4.882 ( 0.258 0.333 0.058) 0.425 4.973 ( 0.299 0.184 0.246) 0.429 4.985 ( -1.174 -0.330 -0.934) 1.536 5.008 ( -0.583 -0.036 0.660) 0.881 5.012 ( 0.403 0.024 0.384) 0.557 5.186 ( -1.476 -0.028 1.784) 2.315 5.222 ( -1.562 -0.040 -1.698) 2.307 5.387 ( -0.498 0.102 0.118) 0.522 5.393 ( 0.229 -0.093 -0.482) 0.542 5.683 ( -0.606 -0.020 0.963) 1.138 5.710 ( -0.572 -0.038 -1.786) 1.876 5.785 ( -1.186 0.087 1.342) 1.793 5.802 ( -1.308 0.123 -0.440) 1.386 ======================= Grid point 181 (65/86) ======================= q-point: (-0.58 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -0.591 0.299 2.840) 2.917 1.275 ( -1.815 0.497 -4.891) 5.240 1.364 ( -7.231 -1.375 1.956) 7.616 1.413 ( -4.814 -1.119 -2.781) 5.671 1.535 ( -3.611 -2.870 2.050) 5.048 1.540 ( -3.782 -2.566 2.027) 5.000 1.621 ( -1.847 -1.127 4.625) 5.106 1.687 ( -0.596 0.321 3.130) 3.202 1.706 ( -2.046 -0.031 -0.601) 2.133 1.743 ( -3.354 -1.635 -0.321) 3.746 1.791 ( -3.873 1.510 -0.625) 4.203 1.799 ( -3.911 0.589 -0.951) 4.068 1.830 ( 1.737 0.630 1.239) 2.225 1.845 ( -1.704 0.258 -0.437) 1.778 1.863 ( -3.382 -0.617 -2.921) 4.511 1.931 ( -1.913 -0.786 -5.178) 5.576 2.020 ( 0.874 -0.181 0.439) 0.995 2.068 ( 2.117 0.090 -2.774) 3.491 2.106 ( 4.676 0.339 0.433) 4.708 2.116 ( 4.742 0.830 -0.720) 4.867 2.189 ( 3.559 -1.620 1.901) 4.348 2.239 ( 3.429 -0.295 -2.511) 4.260 2.295 ( 10.214 0.667 1.665) 10.370 2.318 ( 8.265 2.965 0.314) 8.787 2.379 ( 2.802 0.239 3.884) 4.795 2.460 ( -1.486 0.808 -3.088) 3.521 2.546 ( -0.260 -0.286 0.470) 0.609 2.568 ( -0.452 -0.057 -1.934) 1.987 2.726 ( -0.951 0.125 3.255) 3.393 2.777 ( 0.579 -0.045 -1.524) 1.631 2.892 ( -4.198 -0.184 2.665) 4.976 2.931 ( -5.737 -1.031 -1.245) 5.961 3.154 ( -7.290 -0.186 0.492) 7.309 3.169 ( -6.992 -0.806 -0.717) 7.075 3.175 ( -6.397 0.343 0.729) 6.448 3.185 ( -7.071 -0.258 -0.215) 7.079 3.783 ( 2.069 0.380 1.482) 2.573 3.811 ( 1.520 0.158 -1.019) 1.837 3.859 ( -0.382 0.379 -0.096) 0.547 3.867 ( -0.286 0.743 -0.823) 1.145 3.988 ( -1.941 1.894 2.567) 3.735 4.044 ( -0.154 0.507 -2.672) 2.724 4.096 ( 4.234 -0.297 1.721) 4.580 4.141 ( 5.287 -0.260 -2.413) 5.818 4.420 ( -3.578 -1.387 3.078) 4.919 4.479 ( -3.731 -1.220 -2.628) 4.724 4.575 ( -0.773 -0.048 3.315) 3.404 4.641 ( -0.462 0.149 -3.119) 3.157 4.757 ( -1.655 0.159 0.721) 1.812 4.774 ( -1.197 -0.624 -0.443) 1.421 4.807 ( -2.653 0.383 1.603) 3.123 4.825 ( -0.411 0.330 -0.470) 0.706 4.842 ( -0.270 -0.651 -0.710) 1.000 4.857 ( -2.343 0.070 -1.691) 2.891 4.969 ( -1.482 -0.552 1.110) 1.932 4.982 ( 0.197 0.367 2.071) 2.113 4.989 ( -1.060 -0.432 -0.766) 1.377 5.014 ( 1.380 0.016 -1.114) 1.774 5.172 ( -0.115 -1.074 1.714) 2.026 5.207 ( -0.221 -1.153 -1.575) 1.965 5.386 ( 0.274 -0.142 0.870) 0.923 5.408 ( 0.983 -0.033 -1.198) 1.550 5.667 ( -1.155 -0.394 1.045) 1.607 5.695 ( -1.113 -0.438 -1.773) 2.139 5.763 ( -1.376 -0.686 1.182) 1.939 5.777 ( -1.489 -0.887 -0.327) 1.764 ======================= Grid point 182 (66/86) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -5.780 0.878 2.534) 6.372 1.202 ( -5.117 1.198 -3.600) 6.371 1.257 ( -4.671 -2.897 2.426) 6.008 1.321 ( -6.170 -2.573 -3.712) 7.647 1.452 ( -4.457 -1.949 5.243) 7.153 1.527 ( -1.275 -2.971 -1.822) 3.711 1.589 ( -5.192 -1.640 0.635) 5.481 1.599 ( -2.726 -1.239 0.947) 3.141 1.647 ( -5.690 -1.772 2.633) 6.515 1.686 ( -5.458 -1.049 -0.978) 5.644 1.729 ( -0.573 0.823 0.629) 1.184 1.765 ( 1.916 0.249 0.819) 2.098 1.816 ( -0.199 0.030 -0.747) 0.774 1.837 ( 0.259 -0.356 -3.034) 3.066 1.876 ( 2.003 -0.143 1.215) 2.347 1.937 ( 1.053 -0.614 -2.311) 2.613 2.034 ( 0.173 0.061 0.059) 0.193 2.083 ( -0.583 0.305 -3.878) 3.933 2.130 ( -0.473 0.581 1.574) 1.743 2.166 ( -0.048 1.226 -1.399) 1.861 2.281 ( 2.743 0.715 2.655) 3.884 2.318 ( 3.800 -0.895 -1.567) 4.207 2.357 ( 1.209 -0.100 0.856) 1.485 2.388 ( -3.282 1.990 -1.524) 4.130 2.454 ( 1.324 3.791 0.941) 4.124 2.468 ( 2.070 3.439 -0.040) 4.014 2.566 ( 0.465 -0.553 0.862) 1.125 2.573 ( 1.409 -1.056 0.045) 1.761 2.737 ( -1.152 -0.932 1.699) 2.254 2.767 ( -5.209 -1.658 0.944) 5.547 2.786 ( -1.077 -2.612 -0.994) 2.995 2.795 ( -4.617 -1.987 -1.133) 5.152 2.955 ( -12.063 1.962 0.639) 12.238 2.974 ( -9.582 1.334 -1.118) 9.739 3.062 ( -4.521 -0.198 2.275) 5.066 3.097 ( -3.305 0.246 -1.189) 3.521 3.809 ( -0.082 0.949 0.456) 1.056 3.817 ( -1.236 0.991 -0.130) 1.590 3.837 ( -0.787 1.904 0.468) 2.113 3.859 ( 0.929 0.603 -1.709) 2.037 3.959 ( -0.251 0.341 3.173) 3.201 4.025 ( -0.500 0.294 -3.403) 3.452 4.213 ( 5.732 0.158 1.636) 5.963 4.245 ( 4.271 0.599 -1.397) 4.534 4.359 ( -2.880 -2.363 2.793) 4.656 4.418 ( -2.414 -2.358 -3.102) 4.584 4.555 ( -1.323 0.055 3.305) 3.560 4.619 ( -1.460 0.089 -3.038) 3.371 4.721 ( -1.895 -0.614 1.911) 2.760 4.742 ( -3.291 -1.012 0.801) 3.535 4.754 ( -1.622 -0.595 1.353) 2.194 4.797 ( -1.816 0.270 -2.119) 2.804 4.810 ( -2.515 -0.220 -0.183) 2.531 4.837 ( -0.522 -0.034 -2.264) 2.324 4.934 ( -1.177 0.135 1.921) 2.257 4.963 ( -0.910 0.064 -0.996) 1.350 5.013 ( 2.298 0.280 2.382) 3.322 5.059 ( 2.754 -0.123 -2.065) 3.444 5.194 ( 1.326 -1.975 1.690) 2.918 5.228 ( 1.446 -2.060 -1.616) 2.991 5.388 ( -0.413 -0.224 1.407) 1.483 5.421 ( 0.095 -0.077 -1.659) 1.664 5.636 ( -2.432 -0.440 1.110) 2.710 5.665 ( -2.503 -0.400 -1.742) 3.076 5.736 ( -2.073 -2.136 1.387) 3.284 5.755 ( -1.701 -2.397 -0.578) 2.996 ======================= Grid point 183 (67/86) ======================= q-point: (-0.42 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -7.938 2.206 3.881) 9.107 1.081 ( -5.998 2.762 -3.716) 7.578 1.166 ( -6.199 2.828 -0.867) 6.869 1.171 ( -8.333 1.570 -1.104) 8.551 1.401 ( -3.144 -2.351 5.375) 6.656 1.471 ( -6.824 -3.346 -0.818) 7.644 1.500 ( -6.772 -4.906 0.600) 8.383 1.532 ( -3.079 -3.157 -1.898) 4.801 1.584 ( -2.150 -0.898 1.948) 3.037 1.631 ( -0.760 -2.104 -1.497) 2.691 1.730 ( -0.321 -1.697 2.738) 3.238 1.801 ( 1.622 -0.149 -0.582) 1.730 1.829 ( 0.647 -0.155 -0.406) 0.780 1.851 ( 0.935 -0.363 -1.536) 1.834 1.910 ( 1.289 0.357 1.362) 1.909 1.965 ( 1.260 -0.538 -1.804) 2.266 2.008 ( -3.638 -0.424 1.593) 3.994 2.038 ( -3.744 0.559 -2.210) 4.384 2.095 ( -2.742 1.238 -0.204) 3.015 2.125 ( -2.520 1.077 -3.601) 4.525 2.251 ( -4.129 2.393 0.264) 4.779 2.262 ( -8.810 3.072 -0.828) 9.367 2.314 ( -7.373 3.130 2.433) 8.371 2.353 ( -4.834 2.712 -0.807) 5.601 2.383 ( -2.170 -0.177 1.714) 2.771 2.411 ( -1.060 0.584 -1.511) 1.936 2.491 ( -10.264 -2.736 0.513) 10.635 2.513 ( -9.513 -2.622 -1.445) 9.972 2.657 ( 0.787 1.478 4.042) 4.375 2.721 ( -0.649 -0.045 -0.848) 1.068 2.756 ( -3.416 1.320 2.998) 4.733 2.821 ( 0.888 -0.385 2.199) 2.403 2.848 ( -3.053 0.110 -3.886) 4.943 2.869 ( 2.272 -0.529 -2.477) 3.403 3.023 ( 1.368 0.556 1.915) 2.418 3.053 ( -0.226 0.960 -1.083) 1.465 3.757 ( -3.182 2.500 -0.053) 4.047 3.757 ( -3.134 2.516 -0.091) 4.020 3.834 ( -0.483 0.480 1.765) 1.891 3.879 ( 0.740 -0.189 -2.627) 2.735 3.962 ( 0.045 -0.777 2.498) 2.617 4.021 ( -0.395 -1.114 -3.183) 3.395 4.221 ( -3.751 -1.136 1.232) 4.108 4.243 ( -3.696 -1.254 -0.948) 4.017 4.419 ( 6.692 -0.357 1.899) 6.966 4.451 ( 2.982 -0.287 -1.136) 3.204 4.530 ( -0.547 0.459 3.182) 3.261 4.596 ( -0.575 -0.155 -3.131) 3.187 4.683 ( -2.839 -1.012 1.081) 3.202 4.696 ( -1.076 -1.222 1.359) 2.120 4.737 ( -1.124 -1.856 1.630) 2.714 4.767 ( -0.800 -0.183 0.801) 1.147 4.779 ( -0.240 -0.538 -1.866) 1.957 4.837 ( 1.073 0.116 -3.064) 3.249 4.927 ( 0.769 1.541 1.567) 2.329 4.961 ( 0.799 0.724 -1.641) 1.964 5.064 ( 3.076 0.493 3.058) 4.365 5.116 ( 2.964 0.246 -2.028) 3.600 5.238 ( 1.949 -1.823 1.834) 3.238 5.281 ( 2.710 -1.529 -2.276) 3.855 5.367 ( -1.881 -0.230 1.830) 2.635 5.407 ( -1.556 -0.019 -1.913) 2.467 5.577 ( -3.740 -0.290 0.821) 3.840 5.598 ( -4.269 0.241 -1.138) 4.424 5.710 ( -2.438 -4.188 1.341) 5.028 5.732 ( -2.441 -3.419 -0.783) 4.274 ======================= Grid point 184 (68/86) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -7.630 7.031 5.127) 11.572 0.934 ( -7.413 7.185 2.906) 10.724 0.964 ( -8.377 3.749 -6.175) 11.061 1.045 ( -5.371 4.998 -4.762) 8.747 1.312 ( -8.550 -2.298 2.503) 9.201 1.323 ( -8.255 -2.020 2.054) 8.743 1.403 ( -5.589 -2.042 5.570) 8.150 1.504 ( -2.136 -2.942 -2.500) 4.413 1.556 ( -2.243 -1.019 2.141) 3.264 1.623 ( -2.552 -2.340 -3.549) 4.958 1.721 ( -1.833 -1.825 2.475) 3.580 1.799 ( -2.755 0.610 -3.730) 4.677 1.822 ( -3.163 0.034 1.658) 3.572 1.864 ( -3.222 -1.216 -2.025) 3.995 1.870 ( -2.244 0.901 3.875) 4.567 1.929 ( -4.120 0.670 -1.011) 4.295 1.959 ( -1.531 0.366 -1.198) 1.978 1.969 ( -2.980 1.031 0.015) 3.154 2.006 ( -4.032 3.217 0.214) 5.162 2.052 ( -3.139 4.799 -3.519) 6.728 2.091 ( -2.457 0.849 0.840) 2.732 2.123 ( -3.947 -0.725 -1.279) 4.212 2.190 ( -5.756 3.011 0.108) 6.496 2.232 ( -5.377 4.682 -5.433) 8.963 2.273 ( -5.657 -1.185 2.367) 6.246 2.299 ( -5.475 -1.913 0.014) 5.799 2.414 ( -2.171 -1.089 1.176) 2.699 2.425 ( -0.993 -0.552 -0.378) 1.197 2.669 ( -0.373 0.673 8.133) 8.169 2.704 ( -0.248 2.647 0.242) 2.670 2.745 ( -0.147 1.124 -1.879) 2.195 2.793 ( -2.961 -3.721 -1.877) 5.112 2.813 ( -1.581 -0.459 0.585) 1.747 2.852 ( -2.858 -0.762 -2.009) 3.575 3.074 ( 3.238 2.036 0.606) 3.873 3.083 ( 2.951 1.273 -0.256) 3.224 3.674 ( -3.977 2.181 0.037) 4.536 3.675 ( -3.741 2.381 -0.057) 4.435 3.784 ( -4.922 0.199 2.561) 5.552 3.861 ( -3.903 -1.445 -5.115) 6.594 3.962 ( -0.595 -1.417 1.629) 2.240 4.007 ( -2.456 -2.064 -2.773) 4.241 4.168 ( -1.497 -1.190 0.938) 2.130 4.185 ( -1.779 -1.089 -0.751) 2.217 4.461 ( -0.951 -0.374 5.149) 5.249 4.509 ( 1.242 0.575 -0.568) 1.482 4.553 ( 2.027 1.096 1.963) 3.027 4.600 ( 0.930 -1.544 -1.707) 2.483 4.652 ( -1.003 -1.739 0.610) 2.099 4.707 ( 1.405 0.354 -3.930) 4.189 4.738 ( 1.048 -1.878 3.279) 3.921 4.791 ( 2.803 0.364 3.631) 4.602 4.809 ( 2.963 -1.310 -1.310) 3.494 4.884 ( 3.744 -0.104 -2.970) 4.781 4.941 ( 1.741 2.319 1.324) 3.188 4.985 ( 2.355 1.645 -2.869) 4.060 5.117 ( 2.450 0.973 2.952) 3.957 5.161 ( 1.743 0.576 -1.559) 2.409 5.279 ( 1.093 -0.688 2.080) 2.448 5.321 ( -2.325 -0.403 1.736) 2.930 5.334 ( 0.959 0.273 -2.850) 3.020 5.365 ( -2.050 0.016 -1.913) 2.804 5.499 ( -4.251 0.278 0.625) 4.306 5.520 ( -2.723 0.645 -0.885) 2.935 5.683 ( -3.137 -5.013 1.052) 6.007 5.699 ( -2.767 -3.780 -0.293) 4.694 ======================= Grid point 185 (69/86) ======================= q-point: (-0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -6.385 10.041 8.028) 14.354 0.700 ( -11.118 8.020 8.506) 16.133 0.828 ( -4.019 5.937 -11.335) 13.413 0.881 ( -8.855 3.682 -9.374) 13.411 1.125 ( -8.934 10.307 8.308) 15.971 1.183 ( -2.491 3.465 2.983) 5.206 1.326 ( -1.898 2.778 9.109) 9.710 1.469 ( -3.581 0.007 -4.063) 5.416 1.492 ( -3.824 -1.808 -0.895) 4.324 1.538 ( -5.480 0.410 -3.571) 6.554 1.660 ( -5.591 -2.108 0.983) 6.055 1.683 ( -6.635 -2.277 -1.223) 7.120 1.746 ( -1.585 -0.958 -0.238) 1.868 1.776 ( -3.223 0.967 -2.796) 4.374 1.870 ( 0.876 0.758 0.438) 1.239 1.878 ( -0.414 1.187 -0.094) 1.260 1.916 ( -0.844 0.318 1.186) 1.490 1.928 ( 0.495 1.466 -0.469) 1.617 1.991 ( 0.527 1.254 -1.418) 1.965 2.026 ( -0.059 2.825 -1.719) 3.308 2.055 ( -2.158 -0.252 0.045) 2.173 2.078 ( -2.933 1.986 -1.093) 3.707 2.125 ( 2.595 -0.001 0.426) 2.630 2.153 ( 0.201 2.004 -2.960) 3.580 2.232 ( -1.034 -1.827 -0.012) 2.100 2.244 ( -1.990 -1.967 -0.143) 2.802 2.362 ( -3.981 -0.866 1.181) 4.242 2.384 ( -3.325 0.325 -0.906) 3.462 2.635 ( -1.507 1.885 5.973) 6.442 2.689 ( 0.793 2.125 1.560) 2.752 2.727 ( 0.105 3.071 -1.349) 3.356 2.773 ( -2.026 -3.878 0.940) 4.475 2.781 ( -1.658 -1.084 -1.003) 2.220 2.821 ( -0.457 -0.996 -2.507) 2.736 3.115 ( 2.132 1.812 0.975) 2.963 3.126 ( 2.120 1.528 -0.123) 2.616 3.585 ( -3.702 1.611 0.408) 4.058 3.594 ( -3.182 1.631 -0.489) 3.609 3.651 ( -7.477 0.659 2.151) 7.809 3.725 ( -10.925 -1.863 -5.888) 12.549 3.960 ( -1.733 -2.262 -0.722) 2.940 3.962 ( -1.374 -2.449 -0.967) 2.970 4.170 ( 0.445 -0.613 0.866) 1.151 4.187 ( 0.927 0.384 -0.814) 1.292 4.456 ( -0.068 -2.046 6.603) 6.913 4.510 ( -0.182 -0.304 0.623) 0.717 4.561 ( 0.216 0.150 2.013) 2.030 4.622 ( -0.183 -2.056 -2.663) 3.369 4.668 ( 1.162 -0.598 0.738) 1.501 4.735 ( 1.445 -0.391 -3.521) 3.826 4.781 ( 1.655 -1.513 4.701) 5.209 4.846 ( 2.266 -0.249 -0.089) 2.281 4.896 ( 4.719 0.219 2.807) 5.495 4.973 ( 3.745 1.402 0.084) 4.000 4.978 ( 4.996 1.290 -1.322) 5.326 5.030 ( 3.088 1.701 -3.356) 4.868 5.136 ( 0.038 0.964 1.967) 2.191 5.171 ( -0.333 0.609 -1.592) 1.737 5.265 ( -1.782 0.335 1.980) 2.685 5.291 ( -1.604 -1.387 1.569) 2.638 5.300 ( -2.234 0.176 -1.240) 2.562 5.351 ( -1.440 -0.090 -4.296) 4.532 5.428 ( -2.474 1.080 2.129) 3.438 5.484 ( -0.623 2.285 -2.630) 3.540 5.643 ( -3.249 -3.731 2.337) 5.472 5.675 ( -1.694 -2.877 -0.152) 3.342 ======================= Grid point 186 (70/86) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 0.000 8.255 12.580) 15.046 0.518 ( 0.000 11.732 11.555) 16.467 0.727 ( 0.000 3.569 -11.987) 12.507 0.771 ( 0.000 6.636 -13.385) 14.940 0.937 ( 0.000 20.629 16.871) 26.650 1.157 ( 0.000 4.810 -0.582) 4.845 1.289 ( 0.000 1.907 7.212) 7.460 1.411 ( 0.000 3.716 0.130) 3.718 1.420 ( -0.000 -0.245 -5.834) 5.839 1.508 ( -0.000 -1.242 -5.550) 5.688 1.609 ( -0.000 -2.457 1.738) 3.009 1.633 ( -0.000 -3.720 -0.684) 3.782 1.741 ( -0.000 -1.368 -0.968) 1.676 1.750 ( -0.000 -0.795 -1.238) 1.471 1.873 ( -0.000 -0.013 0.666) 0.667 1.890 ( -0.000 -0.135 -0.957) 0.966 1.901 ( 0.000 1.628 1.309) 2.089 1.937 ( -0.000 -0.274 0.505) 0.575 1.988 ( 0.000 1.339 -3.112) 3.388 2.004 ( 0.000 2.096 1.544) 2.603 2.033 ( 0.000 2.640 -1.274) 2.931 2.036 ( -0.000 -0.087 -3.025) 3.026 2.167 ( 0.000 1.499 0.284) 1.526 2.173 ( 0.000 1.175 -0.235) 1.198 2.231 ( -0.000 -2.455 0.687) 2.549 2.236 ( -0.000 -1.507 -0.547) 1.603 2.311 ( -0.000 -1.844 0.003) 1.844 2.335 ( -0.000 -0.844 -1.473) 1.698 2.611 ( 0.000 2.409 4.791) 5.363 2.693 ( 0.000 2.421 1.151) 2.681 2.706 ( 0.000 4.352 -0.230) 4.358 2.765 ( -0.000 -1.003 1.231) 1.588 2.791 ( -0.000 -3.025 -2.522) 3.939 2.824 ( -0.000 -0.431 -3.048) 3.078 3.132 ( 0.000 1.150 1.064) 1.567 3.142 ( 0.000 1.508 0.084) 1.511 3.532 ( 0.000 1.169 0.366) 1.225 3.541 ( 0.000 1.046 -0.464) 1.144 3.558 ( 0.000 1.254 0.438) 1.328 3.566 ( 0.000 1.445 -0.341) 1.485 3.947 ( -0.000 -2.339 0.249) 2.352 3.972 ( -0.000 -2.574 -2.113) 3.330 4.177 ( -0.000 -0.650 0.829) 1.053 4.194 ( 0.000 0.634 -0.951) 1.144 4.474 ( -0.000 -3.025 5.262) 6.070 4.516 ( -0.000 -1.677 1.941) 2.565 4.566 ( -0.000 -0.509 2.729) 2.776 4.632 ( -0.000 -2.485 -2.208) 3.324 4.682 ( -0.000 -0.082 0.874) 0.878 4.752 ( 0.000 0.256 -2.153) 2.168 4.810 ( -0.000 -2.608 3.853) 4.653 4.871 ( -0.000 -0.707 -0.301) 0.768 4.937 ( 0.000 1.223 2.981) 3.222 5.022 ( 0.000 2.914 -3.953) 4.911 5.051 ( -0.000 -0.155 0.765) 0.781 5.071 ( -0.000 -0.047 -1.250) 1.250 5.127 ( 0.000 0.243 1.616) 1.634 5.160 ( 0.000 0.351 -1.804) 1.838 5.244 ( 0.000 0.222 1.857) 1.871 5.270 ( -0.000 -3.033 1.343) 3.317 5.275 ( 0.000 0.292 -1.186) 1.221 5.319 ( -0.000 -0.182 -3.839) 3.843 5.392 ( 0.000 2.187 2.490) 3.314 5.459 ( 0.000 3.523 -3.730) 5.131 5.620 ( -0.000 -2.609 4.161) 4.911 5.668 ( -0.000 -1.625 -0.105) 1.629 ======================= Grid point 191 (71/86) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.765 -0.000 3.758) 3.835 1.293 ( 0.104 -0.000 -6.137) 6.138 1.474 ( -1.519 0.000 0.709) 1.676 1.486 ( -2.506 0.000 0.058) 2.507 1.597 ( -4.716 0.000 1.657) 4.998 1.621 ( -6.863 0.000 -0.707) 6.899 1.662 ( -4.367 0.000 6.343) 7.701 1.694 ( -0.464 0.000 1.619) 1.684 1.698 ( 1.265 -0.000 2.821) 3.091 1.788 ( 1.383 -0.000 1.274) 1.880 1.809 ( -0.537 0.000 -6.320) 6.342 1.831 ( 0.877 -0.000 -1.867) 2.062 1.852 ( 1.378 -0.000 -0.010) 1.378 1.863 ( 2.411 -0.000 -1.746) 2.977 1.948 ( -5.268 0.000 0.858) 5.337 1.971 ( 4.811 -0.000 2.236) 5.305 2.015 ( -3.618 0.000 -4.805) 6.015 2.023 ( 0.600 -0.000 -1.243) 1.380 2.055 ( -5.053 0.000 0.980) 5.147 2.074 ( -1.882 0.000 -2.127) 2.840 2.099 ( 3.570 -0.000 0.918) 3.686 2.129 ( 7.713 -0.000 -1.605) 7.878 2.177 ( 0.369 -0.000 0.537) 0.652 2.196 ( 2.856 -0.000 -0.804) 2.967 2.380 ( -0.483 0.000 5.941) 5.961 2.480 ( 0.227 -0.000 -3.557) 3.564 2.546 ( 0.466 -0.000 0.465) 0.659 2.570 ( 0.377 -0.000 -2.403) 2.432 2.754 ( -1.460 0.000 1.493) 2.088 2.760 ( 1.161 -0.000 0.994) 1.528 2.925 ( 0.493 -0.000 3.545) 3.579 2.982 ( -0.392 0.000 -2.206) 2.240 3.229 ( -0.157 0.000 0.504) 0.528 3.238 ( -0.613 0.000 -0.390) 0.727 3.264 ( -1.814 0.000 1.106) 2.124 3.290 ( -1.890 0.000 -1.359) 2.328 3.748 ( 1.277 -0.000 1.700) 2.127 3.785 ( 0.808 -0.000 -1.698) 1.880 3.856 ( 1.507 -0.000 0.007) 1.507 3.857 ( 1.089 -0.000 -0.126) 1.096 3.964 ( 3.510 -0.000 3.065) 4.660 4.032 ( 1.860 -0.000 -3.340) 3.823 4.088 ( -2.247 0.000 0.992) 2.456 4.117 ( -2.578 0.000 -1.818) 3.154 4.468 ( -2.342 0.000 3.525) 4.232 4.524 ( -1.009 0.000 -0.974) 1.403 4.589 ( -0.922 0.000 0.871) 1.268 4.631 ( 1.641 -0.000 -2.368) 2.881 4.780 ( 0.094 -0.000 0.041) 0.102 4.782 ( -0.474 0.000 -0.550) 0.726 4.821 ( 0.831 -0.000 -0.588) 1.018 4.822 ( 0.682 -0.000 -1.098) 1.292 4.861 ( -1.481 0.000 1.961) 2.457 4.884 ( 0.282 -0.000 0.021) 0.283 4.974 ( 0.719 -0.000 0.066) 0.722 4.983 ( -1.755 0.000 -0.802) 1.929 5.007 ( -0.631 0.000 0.676) 0.925 5.012 ( 0.435 -0.000 0.386) 0.582 5.186 ( -1.702 0.000 1.778) 2.462 5.222 ( -1.802 0.000 -1.701) 2.478 5.387 ( -0.673 0.000 0.064) 0.677 5.392 ( 0.364 -0.000 -0.422) 0.557 5.683 ( -0.701 0.000 0.955) 1.185 5.710 ( -0.660 0.000 -1.784) 1.902 5.785 ( -1.376 0.000 1.352) 1.929 5.802 ( -1.503 0.000 -0.449) 1.569 ======================= Grid point 192 (72/86) ======================= q-point: (-0.67 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -0.322 0.041 2.983) 3.001 1.279 ( -1.416 0.214 -5.016) 5.217 1.355 ( -9.414 -0.278 1.885) 9.605 1.405 ( -6.322 -0.385 -3.006) 7.011 1.513 ( -3.157 -0.844 2.535) 4.136 1.517 ( -2.836 -1.313 1.754) 3.583 1.613 ( -1.805 -0.405 4.881) 5.220 1.688 ( -0.572 -0.041 2.499) 2.564 1.711 ( -4.692 0.875 -0.998) 4.876 1.726 ( -1.900 -1.372 0.015) 2.343 1.804 ( -3.652 0.319 -0.471) 3.697 1.807 ( -3.016 1.160 1.616) 3.613 1.831 ( 0.497 -0.501 -2.077) 2.193 1.843 ( -1.564 -0.057 0.285) 1.591 1.862 ( -3.468 0.127 -2.366) 4.200 1.925 ( -1.876 -0.316 -5.331) 5.660 2.018 ( 0.999 -0.096 0.565) 1.151 2.069 ( 2.159 0.023 -2.808) 3.542 2.109 ( 5.571 0.157 0.764) 5.625 2.125 ( 5.076 0.663 -1.375) 5.300 2.172 ( 3.276 -1.125 2.523) 4.285 2.234 ( 2.711 -0.329 -3.192) 4.201 2.301 ( 11.219 0.386 2.401) 11.479 2.347 ( 10.686 1.997 -1.184) 10.936 2.376 ( 1.585 -0.659 4.678) 4.983 2.466 ( -1.642 0.265 -3.235) 3.637 2.544 ( -0.760 -0.142 0.825) 1.130 2.567 ( -0.610 -0.006 -1.765) 1.868 2.727 ( -1.008 0.076 3.109) 3.269 2.776 ( 0.462 -0.016 -1.516) 1.585 2.890 ( -4.563 -0.117 2.347) 5.133 2.923 ( -6.748 -0.425 -0.918) 6.824 3.151 ( -7.120 -0.129 0.312) 7.128 3.161 ( -7.213 -0.373 -0.398) 7.233 3.179 ( -5.414 0.189 0.507) 5.441 3.184 ( -7.256 0.045 -0.092) 7.256 3.786 ( 2.092 0.107 1.498) 2.575 3.812 ( 1.489 0.030 -0.862) 1.721 3.862 ( -0.176 0.126 0.010) 0.216 3.872 ( 0.204 0.228 -0.912) 0.961 4.005 ( -2.540 0.870 1.890) 3.283 4.045 ( 1.481 -0.094 -1.553) 2.148 4.096 ( 3.139 0.163 1.124) 3.338 4.140 ( 5.675 -0.014 -2.500) 6.202 4.409 ( -3.835 -0.548 3.135) 4.984 4.469 ( -4.181 -0.484 -2.730) 5.017 4.575 ( -0.819 -0.043 3.423) 3.520 4.642 ( -0.508 0.024 -3.198) 3.238 4.760 ( -1.686 0.405 0.432) 1.786 4.767 ( -1.584 -0.586 0.156) 1.697 4.810 ( -2.968 0.189 2.160) 3.676 4.829 ( -0.292 0.240 -0.420) 0.565 4.835 ( 0.243 -0.427 -1.145) 1.246 4.858 ( -2.635 0.060 -2.261) 3.473 4.965 ( -1.622 -0.216 1.038) 1.937 4.985 ( -0.717 -0.199 -0.864) 1.141 4.985 ( 0.318 0.138 2.042) 2.071 5.015 ( 1.133 0.028 -0.763) 1.366 5.164 ( -0.473 -0.395 1.664) 1.774 5.198 ( -0.605 -0.432 -1.552) 1.721 5.385 ( 0.225 -0.050 0.911) 0.939 5.408 ( 0.970 -0.016 -1.232) 1.568 5.664 ( -1.233 -0.149 1.039) 1.619 5.691 ( -1.239 -0.176 -1.729) 2.134 5.757 ( -1.599 -0.222 1.082) 1.943 5.770 ( -1.980 -0.307 -0.262) 2.021 ======================= Grid point 193 (73/86) ======================= q-point: (-0.58 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -5.693 1.454 2.702) 6.467 1.202 ( -5.513 -1.992 -0.268) 5.868 1.238 ( -2.589 0.428 -0.746) 2.728 1.292 ( -5.072 -2.454 -4.110) 6.974 1.439 ( -4.534 -0.585 4.340) 6.304 1.501 ( -1.816 -1.753 -1.342) 2.858 1.574 ( -5.758 -0.988 2.061) 6.195 1.587 ( -1.820 -0.817 1.437) 2.459 1.633 ( -5.957 -0.838 2.847) 6.655 1.677 ( -5.938 -0.467 -1.468) 6.135 1.740 ( -1.463 0.969 -0.152) 1.761 1.771 ( 1.690 0.929 0.534) 2.001 1.809 ( -0.629 -1.370 -2.531) 2.946 1.830 ( -0.217 -0.446 -2.757) 2.801 1.881 ( 2.592 0.636 2.032) 3.355 1.930 ( 0.980 -0.471 -1.565) 1.906 2.034 ( 0.116 -0.064 0.453) 0.472 2.086 ( -0.351 0.219 -4.452) 4.471 2.135 ( -0.703 0.365 1.983) 2.135 2.180 ( -0.235 1.023 -1.393) 1.744 2.279 ( 4.530 -0.653 1.336) 4.768 2.308 ( 4.508 -0.847 -2.173) 5.075 2.361 ( -0.186 0.674 2.828) 2.914 2.407 ( -3.550 1.229 -1.267) 3.965 2.495 ( 0.629 3.315 0.885) 3.488 2.505 ( 3.326 3.145 0.226) 4.583 2.557 ( 1.148 -1.161 0.169) 1.641 2.564 ( 2.162 -0.610 -0.075) 2.248 2.717 ( -8.552 -2.473 0.982) 8.957 2.747 ( -3.834 -1.853 -1.525) 4.524 2.756 ( -1.850 -1.282 2.128) 3.097 2.788 ( -0.614 -0.256 -1.367) 1.520 2.975 ( -10.519 1.395 0.212) 10.613 2.984 ( -9.010 0.521 -0.773) 9.058 3.061 ( -4.713 -0.007 2.640) 5.402 3.099 ( -3.038 0.155 -1.177) 3.261 3.814 ( 0.463 0.173 0.802) 0.942 3.824 ( -0.593 0.361 -0.113) 0.704 3.856 ( -0.329 1.176 -0.035) 1.222 3.867 ( 0.307 0.758 -1.438) 1.654 3.962 ( -1.224 0.252 3.047) 3.293 4.028 ( -1.263 0.198 -3.523) 3.748 4.217 ( 6.256 0.333 1.978) 6.570 4.253 ( 4.370 0.656 -1.496) 4.665 4.337 ( -3.016 -1.462 2.709) 4.309 4.396 ( -2.253 -1.486 -3.181) 4.172 4.555 ( -1.132 -0.031 3.381) 3.565 4.619 ( -1.536 -0.017 -3.001) 3.372 4.716 ( -2.607 -0.293 1.550) 3.047 4.728 ( -2.972 -1.170 0.638) 3.257 4.752 ( -2.455 -0.042 1.999) 3.166 4.800 ( -2.285 0.246 -2.410) 3.330 4.807 ( -2.349 -0.205 -0.081) 2.360 4.837 ( -0.305 -0.011 -2.373) 2.392 4.935 ( -0.483 0.092 1.883) 1.946 4.963 ( -0.768 -0.077 -0.887) 1.176 5.016 ( 2.340 0.301 2.168) 3.204 5.058 ( 2.906 -0.034 -1.813) 3.426 5.176 ( 1.226 -1.166 1.595) 2.325 5.209 ( 1.364 -1.272 -1.594) 2.454 5.386 ( -0.413 -0.138 1.465) 1.528 5.420 ( 0.083 -0.059 -1.721) 1.724 5.633 ( -2.256 -0.189 1.129) 2.530 5.660 ( -2.332 -0.433 -1.558) 2.838 5.720 ( -2.749 -0.745 0.971) 3.009 5.732 ( -2.239 -1.653 -0.317) 2.801 ======================= Grid point 194 (74/86) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -5.446 3.242 3.133) 7.070 1.100 ( -5.240 0.484 -3.886) 6.541 1.192 ( -6.326 2.178 -0.304) 6.697 1.196 ( -2.377 2.471 -1.010) 3.574 1.371 ( -2.987 -3.080 3.540) 5.562 1.423 ( -6.416 -4.612 -0.321) 7.908 1.468 ( -8.186 -1.111 2.050) 8.511 1.508 ( -4.681 -1.105 -0.949) 4.902 1.576 ( -1.656 -0.627 1.630) 2.406 1.609 ( -0.694 -1.897 0.030) 2.020 1.714 ( -1.331 -0.954 1.091) 1.968 1.792 ( -0.584 -1.664 -4.644) 4.967 1.828 ( 1.796 0.230 0.711) 1.945 1.848 ( 1.840 -0.211 -0.904) 2.061 1.919 ( 1.643 1.124 2.072) 2.873 1.956 ( 0.947 -0.958 -0.326) 1.386 2.005 ( -3.378 -0.088 1.985) 3.919 2.046 ( -3.799 0.763 -3.023) 4.914 2.108 ( -2.118 0.995 -0.967) 2.532 2.132 ( -2.669 0.305 -3.494) 4.408 2.278 ( -5.037 2.328 0.935) 5.627 2.291 ( -8.193 2.482 0.404) 8.571 2.345 ( -4.723 2.168 1.517) 5.414 2.372 ( -2.457 -0.956 0.988) 2.816 2.376 ( -7.275 0.540 0.368) 7.304 2.404 ( -3.808 -1.649 -1.553) 4.431 2.471 ( -7.344 -0.688 0.902) 7.431 2.496 ( -6.553 -0.397 -1.435) 6.720 2.675 ( 0.787 1.609 3.136) 3.612 2.718 ( 1.065 -0.441 -0.806) 1.406 2.771 ( -3.315 1.101 2.507) 4.299 2.817 ( -2.229 -0.317 1.313) 2.606 2.851 ( -3.059 0.404 -2.947) 4.267 2.863 ( 1.872 -0.434 -2.324) 3.016 3.026 ( 2.232 0.043 2.204) 3.138 3.062 ( 0.000 0.556 -1.319) 1.431 3.781 ( -2.953 1.662 0.049) 3.390 3.782 ( -2.802 1.904 -0.116) 3.389 3.844 ( -0.660 1.267 1.459) 2.042 3.879 ( 0.447 0.187 -1.987) 2.045 3.950 ( -0.781 -1.390 2.275) 2.778 4.006 ( -1.442 -1.538 -3.192) 3.825 4.208 ( -4.203 -0.983 1.335) 4.518 4.230 ( -4.331 -0.955 -0.816) 4.510 4.418 ( 7.774 0.057 1.863) 7.994 4.451 ( 3.889 0.214 -1.445) 4.155 4.538 ( -0.015 0.897 2.890) 3.026 4.593 ( -1.035 -0.345 -2.445) 2.677 4.665 ( -3.228 -1.953 1.442) 4.039 4.687 ( -0.501 -0.530 0.814) 1.093 4.719 ( -1.685 -1.320 1.085) 2.400 4.766 ( -0.711 -0.069 0.028) 0.715 4.773 ( -0.633 -0.426 -0.693) 1.031 4.839 ( 1.078 0.182 -3.115) 3.301 4.945 ( 1.374 1.490 1.016) 2.267 4.967 ( 1.248 0.326 -1.126) 1.712 5.069 ( 3.268 0.455 2.964) 4.435 5.118 ( 3.112 0.225 -1.743) 3.574 5.220 ( 2.350 -1.431 1.801) 3.288 5.265 ( 3.482 -1.246 -2.613) 4.529 5.365 ( -1.850 -0.158 1.903) 2.659 5.407 ( -1.482 -0.031 -2.026) 2.510 5.575 ( -3.578 0.008 1.134) 3.753 5.601 ( -3.840 0.214 -1.334) 4.071 5.669 ( -3.217 -2.978 1.708) 4.705 5.698 ( -2.693 -2.686 -1.039) 3.943 ======================= Grid point 195 (75/86) ======================= q-point: (-0.42 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -4.979 7.519 3.183) 9.563 0.996 ( -4.682 2.963 -5.923) 8.111 1.017 ( -8.669 6.333 3.633) 11.334 1.105 ( -5.111 5.771 -4.745) 9.052 1.286 ( -7.616 -2.367 2.200) 8.273 1.302 ( -7.176 -1.980 1.006) 7.512 1.381 ( -0.638 -1.592 5.574) 5.832 1.469 ( -1.339 -3.271 -1.173) 3.724 1.538 ( -2.282 -1.739 2.251) 3.647 1.602 ( -2.900 -1.397 -3.222) 4.555 1.700 ( -1.042 -2.031 2.197) 3.168 1.786 ( -0.736 -3.131 -4.584) 5.600 1.827 ( -5.918 1.101 1.200) 6.138 1.858 ( -4.746 0.646 -1.436) 5.000 1.886 ( -0.997 1.856 3.085) 3.735 1.935 ( -3.266 0.654 -1.252) 3.559 1.956 ( -0.321 -0.496 -0.450) 0.743 1.974 ( -1.221 0.067 -0.399) 1.286 2.038 ( -3.403 1.253 1.573) 3.953 2.089 ( -4.734 -0.364 -2.220) 5.242 2.102 ( -2.560 2.441 -1.449) 3.823 2.122 ( -5.945 1.067 -1.315) 6.181 2.236 ( -4.023 4.208 2.086) 6.184 2.257 ( -7.010 -0.443 1.183) 7.123 2.274 ( -6.062 -1.467 -0.322) 6.245 2.290 ( -4.746 5.459 -3.624) 8.091 2.407 ( -1.585 -0.333 1.954) 2.538 2.434 ( -0.038 1.537 -1.371) 2.060 2.674 ( -1.125 0.189 6.448) 6.548 2.715 ( -1.188 -1.590 0.503) 2.047 2.742 ( -1.387 -1.343 -1.697) 2.570 2.754 ( -3.343 -1.978 -1.005) 4.012 2.811 ( -1.790 -0.079 0.550) 1.874 2.851 ( -2.153 0.260 -2.133) 3.042 3.096 ( 3.553 1.710 0.066) 3.944 3.098 ( 3.544 1.522 -0.045) 3.858 3.699 ( -4.168 2.237 0.165) 4.733 3.703 ( -3.920 2.525 -0.181) 4.666 3.787 ( -5.009 0.475 2.143) 5.469 3.846 ( -4.749 -1.076 -3.676) 6.101 3.941 ( -1.156 -2.330 1.269) 2.894 3.979 ( -3.081 -2.933 -2.358) 4.863 4.157 ( -0.903 -0.705 1.065) 1.565 4.176 ( -0.770 -0.563 -0.740) 1.207 4.462 ( -1.082 0.601 4.606) 4.770 4.517 ( 0.856 0.870 -1.258) 1.753 4.564 ( 2.018 0.696 1.000) 2.357 4.579 ( 0.070 -2.162 -0.341) 2.189 4.631 ( -0.892 -1.930 1.387) 2.539 4.694 ( -1.011 -2.223 -2.588) 3.558 4.737 ( 3.730 1.109 1.937) 4.347 4.792 ( 2.454 -0.108 0.215) 2.466 4.800 ( 4.268 -0.230 1.334) 4.477 4.883 ( 3.465 -0.073 -3.271) 4.766 4.965 ( 1.767 1.805 1.138) 2.771 5.002 ( 2.645 1.373 -2.642) 3.982 5.127 ( 2.587 0.813 2.723) 3.843 5.166 ( 1.745 0.278 -1.237) 2.158 5.270 ( 1.709 -0.756 2.178) 2.870 5.317 ( -2.329 -0.212 1.769) 2.932 5.337 ( 1.642 0.118 -3.659) 4.012 5.365 ( -2.304 0.022 -2.117) 3.129 5.504 ( -3.523 0.585 1.297) 3.800 5.529 ( -2.187 1.002 -0.591) 2.477 5.632 ( -2.709 -4.207 1.563) 5.242 5.660 ( -2.576 -3.217 -0.926) 4.224 ======================= Grid point 196 (76/86) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -7.556 8.786 6.081) 13.087 0.789 ( -8.661 7.988 4.477) 12.604 0.895 ( -4.247 6.163 -7.876) 10.865 0.920 ( -8.843 3.224 -6.600) 11.496 1.203 ( -1.094 3.783 3.974) 5.595 1.232 ( 1.176 4.488 1.794) 4.974 1.373 ( -0.383 4.743 6.999) 8.463 1.452 ( -2.427 -2.526 -0.426) 3.529 1.492 ( -4.008 1.574 -0.358) 4.320 1.520 ( -4.659 -2.863 -1.342) 5.631 1.643 ( -6.394 -0.779 0.769) 6.487 1.655 ( -8.190 -2.806 0.245) 8.661 1.739 ( -1.831 -0.760 -0.556) 2.059 1.796 ( -0.307 1.805 -5.295) 5.603 1.881 ( -1.481 1.195 0.342) 1.934 1.892 ( -0.807 1.280 -0.300) 1.543 1.923 ( -1.575 1.487 1.240) 2.497 1.947 ( 0.279 1.849 -1.036) 2.138 2.011 ( 0.904 2.268 0.704) 2.541 2.055 ( -1.128 0.106 1.450) 1.841 2.059 ( -0.029 2.844 -2.252) 3.627 2.090 ( -0.428 -0.330 -1.421) 1.521 2.132 ( -0.611 1.938 1.006) 2.267 2.180 ( -1.014 2.571 -3.033) 4.103 2.207 ( -1.706 -1.950 -0.381) 2.619 2.225 ( -1.895 -0.913 -1.682) 2.693 2.362 ( -3.393 0.617 2.141) 4.059 2.400 ( -2.716 2.132 -1.373) 3.716 2.644 ( -1.542 -0.423 4.991) 5.241 2.679 ( -2.405 -6.666 -0.466) 7.102 2.718 ( -0.215 -0.342 1.639) 1.688 2.747 ( -1.083 -2.617 0.311) 2.849 2.782 ( -1.071 1.710 -1.351) 2.429 2.818 ( -0.343 0.430 -1.787) 1.870 3.141 ( 2.271 2.705 0.515) 3.569 3.146 ( 2.398 1.982 0.105) 3.113 3.605 ( -3.937 1.886 0.421) 4.386 3.614 ( -3.593 1.913 -0.509) 4.102 3.658 ( -6.963 0.535 1.705) 7.188 3.707 ( -9.680 -1.441 -3.320) 10.334 3.932 ( -2.561 -2.593 -0.703) 3.712 3.935 ( -0.770 -2.460 -0.955) 2.749 4.168 ( 0.978 0.155 1.133) 1.504 4.193 ( 1.519 0.651 -1.277) 2.088 4.442 ( -0.602 -0.366 6.575) 6.613 4.508 ( -0.543 0.014 -0.356) 0.649 4.561 ( -0.208 -0.358 1.147) 1.220 4.599 ( -0.319 -1.996 -2.514) 3.225 4.657 ( 1.139 -1.467 0.867) 2.050 4.709 ( 0.725 -3.628 -2.114) 4.261 4.783 ( 1.830 1.290 4.611) 5.126 4.847 ( 2.560 0.594 -0.652) 2.707 4.903 ( 5.115 0.854 1.849) 5.505 4.973 ( 5.241 -0.503 -3.103) 6.112 4.999 ( 3.047 1.603 1.554) 3.777 5.047 ( 2.474 1.236 -3.003) 4.082 5.146 ( -0.223 0.793 1.488) 1.701 5.176 ( -0.438 0.376 -1.516) 1.622 5.269 ( -1.835 0.357 1.957) 2.706 5.276 ( -2.013 -1.043 1.721) 2.846 5.303 ( -2.402 0.283 -1.433) 2.812 5.343 ( -2.325 -1.263 -5.078) 5.726 5.444 ( -1.790 1.683 3.033) 3.903 5.510 ( 0.220 2.256 -2.787) 3.593 5.611 ( -1.095 -1.923 2.669) 3.467 5.649 ( -0.072 -1.822 -0.318) 1.851 ======================= Grid point 197 (77/86) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 0.000 7.863 9.592) 12.403 0.655 ( 0.000 12.709 7.641) 14.829 0.768 ( 0.000 3.619 -9.706) 10.359 0.840 ( 0.000 5.996 -10.333) 11.947 1.151 ( 0.000 15.117 8.810) 17.497 1.235 ( 0.000 9.691 3.583) 10.332 1.316 ( 0.000 2.844 5.641) 6.317 1.419 ( 0.000 0.076 -4.478) 4.479 1.427 ( -0.000 -0.246 0.350) 0.428 1.493 ( -0.000 -1.456 -1.455) 2.058 1.581 ( -0.000 -2.505 0.717) 2.606 1.590 ( -0.000 -3.889 -0.173) 3.893 1.735 ( -0.000 -0.828 -1.309) 1.549 1.762 ( 0.000 4.442 -4.005) 5.981 1.869 ( -0.000 -0.706 0.623) 0.942 1.885 ( -0.000 -0.704 -0.961) 1.191 1.911 ( 0.000 0.500 1.656) 1.730 1.942 ( 0.000 1.285 -2.277) 2.614 2.008 ( 0.000 2.142 -0.760) 2.273 2.028 ( 0.000 2.257 1.862) 2.926 2.044 ( 0.000 1.700 -1.921) 2.565 2.064 ( 0.000 2.738 -1.518) 3.130 2.183 ( -0.000 -5.116 1.060) 5.225 2.185 ( 0.000 1.716 0.152) 1.722 2.188 ( 0.000 1.543 -0.102) 1.546 2.215 ( -0.000 -2.518 -3.043) 3.950 2.304 ( 0.000 0.403 0.792) 0.888 2.343 ( 0.000 1.782 -1.756) 2.502 2.629 ( 0.000 0.806 6.213) 6.265 2.703 ( -0.000 -3.164 -1.318) 3.427 2.724 ( -0.000 -4.044 2.514) 4.762 2.750 ( 0.000 1.175 -2.309) 2.591 2.759 ( -0.000 -0.453 0.249) 0.517 2.819 ( -0.000 -0.282 -2.691) 2.705 3.152 ( 0.000 2.439 1.041) 2.652 3.162 ( 0.000 2.092 0.128) 2.096 3.547 ( 0.000 1.331 0.280) 1.360 3.554 ( 0.000 1.218 -0.438) 1.294 3.574 ( 0.000 1.506 0.572) 1.611 3.584 ( 0.000 1.679 -0.417) 1.730 3.919 ( -0.000 -2.492 0.158) 2.497 3.942 ( -0.000 -2.669 -1.994) 3.332 4.176 ( 0.000 0.375 1.173) 1.231 4.204 ( 0.000 1.077 -1.609) 1.936 4.444 ( -0.000 -1.839 6.948) 7.188 4.505 ( -0.000 -0.523 0.485) 0.713 4.562 ( -0.000 -0.376 1.318) 1.371 4.606 ( -0.000 -2.089 -2.428) 3.203 4.675 ( -0.000 -1.284 0.750) 1.487 4.740 ( -0.000 -3.158 -2.923) 4.303 4.796 ( 0.000 0.563 5.354) 5.383 4.869 ( 0.000 0.475 -1.025) 1.130 4.951 ( 0.000 1.166 3.669) 3.850 5.046 ( 0.000 1.229 -4.456) 4.623 5.049 ( -0.000 -0.171 0.814) 0.832 5.070 ( -0.000 -0.068 -1.315) 1.317 5.130 ( 0.000 0.281 1.664) 1.688 5.164 ( 0.000 0.367 -1.878) 1.914 5.240 ( -0.000 -2.062 1.618) 2.621 5.247 ( 0.000 0.274 1.922) 1.941 5.278 ( 0.000 0.335 -1.208) 1.254 5.312 ( -0.000 -0.988 -5.596) 5.682 5.416 ( 0.000 2.040 3.467) 4.023 5.496 ( 0.000 2.943 -4.187) 5.118 5.606 ( -0.000 -0.020 4.023) 4.023 5.656 ( -0.000 -0.354 -0.283) 0.453 ======================= Grid point 204 (78/86) ======================= q-point: (-0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -3.235 0.000 2.200) 3.912 1.176 ( -7.575 0.000 2.434) 7.957 1.248 ( -1.910 0.000 -2.541) 3.179 1.274 ( -5.215 0.000 -4.451) 6.857 1.436 ( -4.482 0.000 3.717) 5.823 1.491 ( -2.027 0.000 -1.012) 2.265 1.569 ( -5.671 0.000 2.652) 6.261 1.583 ( -1.690 0.000 1.537) 2.284 1.629 ( -6.058 0.000 2.934) 6.732 1.675 ( -6.081 0.000 -1.612) 6.291 1.746 ( -1.472 0.000 -0.276) 1.498 1.782 ( 1.428 -0.000 2.437) 2.825 1.795 ( -0.919 0.000 -5.315) 5.394 1.828 ( -0.303 0.000 -2.350) 2.370 1.885 ( 2.729 -0.000 1.917) 3.335 1.927 ( 0.875 -0.000 -1.228) 1.508 2.033 ( 0.096 -0.000 0.636) 0.643 2.087 ( -0.230 0.000 -4.685) 4.691 2.137 ( -0.858 0.000 2.181) 2.344 2.186 ( -0.403 0.000 -1.458) 1.513 2.275 ( 5.108 -0.000 1.044) 5.214 2.303 ( 4.861 -0.000 -2.441) 5.440 2.365 ( -0.430 0.000 3.395) 3.422 2.414 ( -3.671 0.000 -1.065) 3.823 2.516 ( -1.959 0.000 1.158) 2.276 2.534 ( 9.565 -0.000 1.562) 9.692 2.541 ( -2.348 0.000 -1.275) 2.672 2.560 ( 3.542 -0.000 -0.555) 3.585 2.700 ( -12.534 0.000 1.142) 12.586 2.735 ( -1.735 0.000 -2.221) 2.819 2.751 ( -1.905 0.000 2.305) 2.991 2.787 ( -0.546 0.000 -1.092) 1.221 2.985 ( -8.999 0.000 -0.176) 9.001 2.985 ( -9.628 0.000 -0.407) 9.637 3.061 ( -4.939 0.000 2.744) 5.650 3.100 ( -2.992 0.000 -1.149) 3.205 3.815 ( 0.497 -0.000 0.860) 0.994 3.826 ( -0.352 0.000 -0.167) 0.389 3.862 ( 0.262 -0.000 -0.072) 0.272 3.872 ( -0.005 0.000 -1.324) 1.324 3.964 ( -1.709 0.000 2.968) 3.425 4.029 ( -1.594 0.000 -3.583) 3.922 4.219 ( 6.418 -0.000 2.132) 6.763 4.257 ( 4.377 -0.000 -1.529) 4.637 4.328 ( -3.063 0.000 2.668) 4.062 4.388 ( -2.128 0.000 -3.218) 3.858 4.555 ( -1.023 0.000 3.399) 3.549 4.619 ( -1.568 0.000 -3.002) 3.387 4.715 ( -3.281 0.000 1.333) 3.541 4.720 ( -2.642 0.000 0.869) 2.781 4.752 ( -2.627 0.000 2.063) 3.341 4.802 ( -2.700 0.000 -2.913) 3.971 4.806 ( -2.062 0.000 0.360) 2.093 4.837 ( -0.208 0.000 -2.417) 2.426 4.936 ( -0.152 0.000 1.845) 1.852 4.963 ( -0.739 0.000 -0.815) 1.100 5.018 ( 2.345 -0.000 2.053) 3.117 5.058 ( 2.968 -0.000 -1.704) 3.423 5.169 ( 1.183 -0.000 1.548) 1.949 5.202 ( 1.318 -0.000 -1.573) 2.053 5.385 ( -0.415 0.000 1.486) 1.543 5.420 ( 0.077 -0.000 -1.741) 1.743 5.632 ( -2.140 0.000 1.111) 2.411 5.657 ( -2.349 0.000 -1.343) 2.706 5.718 ( -3.236 0.000 0.296) 3.249 5.720 ( -2.167 0.000 0.176) 2.174 ======================= Grid point 206 (79/86) ======================= q-point: (-0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -3.846 3.227 1.303) 5.187 1.091 ( -4.553 -1.884 -1.317) 5.100 1.212 ( -2.888 1.098 -1.261) 3.337 1.220 ( -0.084 1.414 -0.057) 1.418 1.343 ( -5.370 -1.439 1.188) 5.685 1.381 ( -7.465 -2.531 -0.412) 7.894 1.464 ( -7.911 -0.065 3.189) 8.530 1.505 ( -5.840 0.213 -0.148) 5.846 1.571 ( 0.664 -0.205 1.818) 1.946 1.591 ( -2.160 -1.072 1.287) 2.733 1.709 ( -1.903 -0.090 -0.414) 1.950 1.773 ( -2.488 -1.188 -5.988) 6.592 1.832 ( 3.005 0.322 0.855) 3.141 1.846 ( 2.184 -0.127 -0.434) 2.231 1.931 ( 1.904 0.906 1.534) 2.608 1.946 ( 0.738 -0.764 0.717) 1.281 2.005 ( -2.964 0.030 2.236) 3.713 2.053 ( -3.725 0.365 -3.227) 4.942 2.116 ( -1.170 0.405 -1.847) 2.224 2.133 ( -3.885 -0.034 -2.980) 4.896 2.299 ( -4.569 1.234 1.844) 5.079 2.318 ( -7.401 2.143 1.071) 7.779 2.351 ( -10.070 -1.664 1.592) 10.330 2.363 ( -7.327 0.666 0.264) 7.362 2.374 ( -5.712 -0.973 -0.248) 5.800 2.387 ( 0.669 -0.763 -1.511) 1.820 2.472 ( -4.613 0.351 1.283) 4.801 2.497 ( -4.439 0.202 -1.025) 4.561 2.691 ( 0.562 1.117 2.011) 2.368 2.711 ( 2.164 -0.654 -0.476) 2.311 2.779 ( -1.091 0.397 2.575) 2.825 2.815 ( -7.052 -0.079 0.284) 7.058 2.855 ( -1.400 0.389 -2.301) 2.722 2.859 ( 0.536 -0.339 -2.164) 2.255 3.026 ( 2.835 -0.083 2.503) 3.783 3.066 ( 0.188 0.171 -1.494) 1.515 3.792 ( -2.563 0.453 0.258) 2.616 3.797 ( -2.392 0.661 -0.218) 2.491 3.860 ( -0.721 1.235 0.991) 1.740 3.881 ( 0.490 0.117 -1.092) 1.202 3.935 ( -1.753 -0.928 2.023) 2.834 3.991 ( -2.487 -0.855 -3.393) 4.293 4.200 ( -4.311 -0.389 1.409) 4.552 4.223 ( -4.562 -0.365 -0.791) 4.644 4.419 ( 8.139 0.077 1.916) 8.362 4.454 ( 4.352 0.205 -1.657) 4.661 4.547 ( 0.717 0.597 2.403) 2.578 4.589 ( -1.373 -0.210 -1.787) 2.263 4.647 ( -3.592 -1.034 2.043) 4.260 4.683 ( -0.060 -0.228 0.007) 0.235 4.709 ( -2.085 -0.424 1.091) 2.391 4.766 ( -0.683 0.069 -2.252) 2.354 4.769 ( -0.840 -0.250 1.732) 1.941 4.841 ( 1.066 0.080 -3.221) 3.394 4.959 ( 1.538 1.035 0.339) 1.885 4.967 ( 1.702 -0.335 -0.444) 1.791 5.073 ( 3.346 0.188 2.886) 4.423 5.120 ( 3.147 0.100 -1.544) 3.507 5.208 ( 2.572 -0.545 1.766) 3.167 5.255 ( 3.986 -0.488 -2.816) 4.905 5.363 ( -1.816 -0.060 1.940) 2.658 5.407 ( -1.430 -0.016 -2.081) 2.525 5.577 ( -3.493 0.143 1.255) 3.714 5.601 ( -3.259 -0.052 -1.185) 3.468 5.648 ( -4.026 -0.927 1.600) 4.430 5.676 ( -2.782 -1.125 -1.081) 3.189 ======================= Grid point 207 (80/86) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -3.269 5.551 1.126) 6.539 1.019 ( -3.742 1.394 -3.479) 5.297 1.078 ( -9.092 4.147 2.530) 10.308 1.167 ( -6.451 4.693 -5.753) 9.836 1.262 ( -6.165 -1.798 2.627) 6.938 1.276 ( -2.060 -2.264 1.861) 3.582 1.369 ( -0.208 -0.881 4.411) 4.503 1.434 ( -0.545 -2.731 0.019) 2.785 1.526 ( -3.263 -0.431 3.249) 4.625 1.591 ( -2.822 -0.703 -2.637) 3.925 1.682 ( -0.814 -0.816 0.008) 1.152 1.742 ( -0.584 -4.166 -4.241) 5.974 1.844 ( -7.001 1.627 0.837) 7.236 1.869 ( -4.039 0.807 -1.073) 4.256 1.910 ( -1.363 2.266 2.022) 3.329 1.941 ( -1.586 -0.057 0.438) 1.647 1.955 ( -1.222 0.581 -0.709) 1.528 1.973 ( -0.582 -0.331 -0.447) 0.806 2.031 ( -4.910 -1.683 1.775) 5.486 2.068 ( -4.525 -2.439 -2.238) 5.607 2.125 ( -1.195 1.386 -2.381) 3.003 2.138 ( -6.053 1.351 -2.169) 6.570 2.240 ( -4.623 -0.539 2.466) 5.267 2.257 ( -3.962 -0.548 0.517) 4.033 2.316 ( -5.601 6.331 0.931) 8.504 2.348 ( -4.315 4.348 -0.864) 6.187 2.400 ( -1.289 -1.159 2.582) 3.110 2.451 ( 0.464 1.346 -3.432) 3.716 2.662 ( -6.767 -2.995 3.668) 8.259 2.688 ( -3.651 -1.178 1.319) 4.057 2.722 ( -0.651 -1.852 -0.512) 2.029 2.751 ( -1.908 0.282 -1.718) 2.583 2.811 ( -1.833 0.051 1.466) 2.348 2.854 ( -1.226 0.288 -2.037) 2.395 3.110 ( 3.587 0.843 0.240) 3.692 3.115 ( 4.579 1.198 -0.381) 4.748 3.720 ( -4.180 1.393 0.351) 4.420 3.727 ( -3.945 1.764 -0.358) 4.336 3.795 ( -5.546 0.858 1.798) 5.892 3.838 ( -5.764 -0.427 -2.340) 6.235 3.915 ( -1.040 -2.141 0.896) 2.543 3.948 ( -3.031 -2.378 -2.316) 4.495 4.152 ( -0.402 -0.322 1.159) 1.269 4.171 ( -0.141 -0.267 -0.763) 0.820 4.473 ( -0.651 1.212 3.610) 3.863 4.528 ( 1.273 1.088 -1.787) 2.449 4.555 ( -0.603 -1.773 1.319) 2.290 4.565 ( -0.020 -0.641 -0.129) 0.655 4.614 ( 0.082 -0.982 1.993) 2.223 4.672 ( -1.711 -1.530 -1.744) 2.883 4.749 ( 3.977 0.782 1.765) 4.421 4.791 ( 2.983 0.016 -1.866) 3.518 4.801 ( 5.269 0.149 2.665) 5.906 4.883 ( 3.195 -0.043 -3.436) 4.692 4.980 ( 1.570 0.904 1.045) 2.091 5.014 ( 2.670 0.771 -2.560) 3.778 5.134 ( 2.565 0.458 2.435) 3.567 5.168 ( 1.673 0.072 -0.969) 1.935 5.263 ( 2.241 -0.394 2.211) 3.173 5.315 ( -2.015 -0.172 1.394) 2.456 5.337 ( 1.638 0.006 -3.871) 4.203 5.366 ( -2.567 0.036 -2.069) 3.297 5.511 ( -2.573 0.587 1.910) 3.258 5.543 ( -1.739 1.411 -0.451) 2.285 5.592 ( -2.278 -2.992 1.769) 4.156 5.630 ( -2.340 -2.005 -1.392) 3.382 ======================= Grid point 208 (81/86) ======================= q-point: (-0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -11.121 4.933 4.961) 13.139 0.872 ( -4.676 6.492 -0.231) 8.004 0.949 ( -6.269 2.126 -3.055) 7.290 0.969 ( -5.570 7.300 -4.376) 10.172 1.218 ( 0.243 -1.215 2.473) 2.766 1.267 ( 1.769 1.766 -1.103) 2.732 1.408 ( 2.352 1.183 5.095) 5.735 1.437 ( -2.910 0.441 2.540) 3.888 1.491 ( -4.784 -1.747 -0.845) 5.163 1.511 ( 1.333 1.443 -1.471) 2.455 1.624 ( -8.495 -2.571 0.884) 8.920 1.642 ( -8.453 0.152 -0.058) 8.454 1.728 ( -1.226 -1.081 0.921) 1.876 1.803 ( 3.038 -0.315 -4.395) 5.352 1.896 ( -2.449 1.282 -0.131) 2.767 1.904 ( -1.410 0.840 -0.664) 1.770 1.950 ( -0.871 3.034 0.451) 3.188 1.968 ( 0.549 1.903 -0.412) 2.023 2.029 ( 1.062 -0.285 1.523) 1.878 2.048 ( 0.579 -1.550 0.264) 1.675 2.082 ( 0.402 2.034 -0.277) 2.091 2.099 ( -0.813 2.446 -2.484) 3.580 2.170 ( -3.271 4.293 0.721) 5.445 2.190 ( -1.329 0.367 1.647) 2.148 2.201 ( -1.350 0.131 -1.036) 1.707 2.243 ( -3.341 4.063 -3.954) 6.580 2.370 ( -2.899 0.749 3.001) 4.239 2.428 ( -2.508 2.992 -2.708) 4.751 2.576 ( -4.378 -10.534 1.956) 11.574 2.619 ( -3.083 -4.828 -0.943) 5.805 2.711 ( -2.464 -0.910 2.193) 3.422 2.728 ( 0.365 -0.556 0.865) 1.091 2.795 ( -0.072 0.568 0.283) 0.639 2.828 ( -0.655 1.210 -1.519) 2.050 3.166 ( 2.670 1.673 0.588) 3.205 3.172 ( 2.476 2.463 -0.119) 3.494 3.625 ( -4.276 1.741 0.459) 4.639 3.635 ( -4.232 1.747 -0.492) 4.605 3.662 ( -6.461 0.288 1.270) 6.591 3.693 ( -8.436 -1.104 -1.748) 8.686 3.906 ( -2.167 -1.978 -0.774) 3.034 3.910 ( -0.561 -1.910 -1.088) 2.268 4.171 ( 1.438 0.276 1.375) 2.009 4.200 ( 2.024 0.536 -1.380) 2.508 4.448 ( -0.758 1.406 5.612) 5.835 4.510 ( -0.933 0.188 -0.078) 0.955 4.552 ( -0.193 -1.090 0.474) 1.204 4.578 ( -0.155 -1.856 -2.290) 2.952 4.639 ( 0.732 -1.382 0.328) 1.598 4.669 ( 0.158 -3.243 -1.452) 3.557 4.797 ( 1.956 1.010 5.493) 5.917 4.857 ( 3.132 1.058 -0.402) 3.331 4.914 ( 5.067 1.255 0.139) 5.222 4.965 ( 5.009 -0.864 -3.019) 5.912 5.012 ( 2.304 0.798 1.563) 2.896 5.056 ( 1.848 0.471 -2.598) 3.223 5.152 ( -0.519 0.249 1.225) 1.353 5.179 ( -0.421 0.130 -1.454) 1.520 5.270 ( -1.925 -0.030 1.937) 2.731 5.274 ( -1.657 0.469 0.948) 1.966 5.305 ( -2.669 0.014 -1.723) 3.177 5.327 ( -2.543 -1.381 -4.191) 5.093 5.461 ( -1.841 1.324 3.251) 3.964 5.532 ( 0.020 1.541 -3.188) 3.541 5.598 ( 1.485 -0.637 2.759) 3.198 5.634 ( 1.672 -0.874 -0.344) 1.918 ======================= Grid point 209 (82/86) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 0.000 5.844 7.500) 9.509 0.794 ( 0.000 12.159 4.295) 12.895 0.804 ( 0.000 2.734 -7.654) 8.127 0.907 ( 0.000 6.164 -6.060) 8.644 1.235 ( 0.000 1.482 4.123) 4.382 1.319 ( 0.000 0.937 -2.553) 2.719 1.351 ( 0.000 3.466 3.928) 5.238 1.422 ( 0.000 0.444 -2.880) 2.914 1.436 ( 0.000 1.380 5.318) 5.494 1.509 ( 0.000 7.164 0.907) 7.222 1.548 ( -0.000 -3.594 0.379) 3.614 1.556 ( -0.000 -2.066 -0.388) 2.102 1.729 ( 0.000 0.321 1.562) 1.594 1.830 ( 0.000 6.563 -5.807) 8.763 1.859 ( -0.000 -0.946 0.593) 1.117 1.875 ( -0.000 -1.107 -0.929) 1.445 1.922 ( 0.000 1.813 1.671) 2.466 1.960 ( 0.000 1.850 -2.173) 2.853 2.033 ( 0.000 2.088 0.465) 2.139 2.052 ( 0.000 1.882 2.065) 2.793 2.072 ( 0.000 2.889 -1.932) 3.475 2.092 ( 0.000 2.194 -1.731) 2.795 2.133 ( -0.000 -2.895 1.468) 3.245 2.190 ( -0.000 -1.332 -4.354) 4.553 2.203 ( 0.000 1.446 0.117) 1.451 2.205 ( 0.000 1.410 -0.040) 1.410 2.312 ( 0.000 0.927 1.339) 1.629 2.366 ( 0.000 2.030 -2.281) 3.053 2.605 ( -0.000 -11.255 1.422) 11.345 2.622 ( -0.000 -2.997 2.197) 3.716 2.694 ( -0.000 -2.973 1.320) 3.253 2.736 ( -0.000 -0.684 0.090) 0.689 2.786 ( 0.000 2.082 -0.525) 2.148 2.820 ( 0.000 0.574 -1.199) 1.329 3.183 ( 0.000 2.884 0.639) 2.954 3.186 ( 0.000 2.032 0.529) 2.100 3.561 ( 0.000 1.140 0.211) 1.159 3.567 ( 0.000 1.063 -0.417) 1.142 3.590 ( 0.000 1.347 0.679) 1.508 3.602 ( 0.000 1.469 -0.475) 1.544 3.894 ( -0.000 -1.943 -0.019) 1.943 3.915 ( -0.000 -2.095 -1.957) 2.867 4.183 ( 0.000 0.748 1.385) 1.574 4.217 ( 0.000 1.122 -1.819) 2.137 4.436 ( 0.000 0.359 6.399) 6.409 4.502 ( -0.000 -0.158 0.095) 0.184 4.556 ( -0.000 -0.727 0.557) 0.916 4.586 ( -0.000 -1.711 -2.510) 3.038 4.655 ( -0.000 -2.130 0.316) 2.153 4.696 ( -0.000 -4.129 -1.873) 4.534 4.810 ( 0.000 1.499 5.651) 5.847 4.881 ( 0.000 1.499 -0.912) 1.755 4.962 ( 0.000 0.911 2.634) 2.787 5.046 ( -0.000 -1.260 -4.056) 4.247 5.047 ( -0.000 -0.145 0.858) 0.870 5.069 ( -0.000 -0.067 -1.365) 1.367 5.133 ( 0.000 0.240 1.693) 1.710 5.168 ( 0.000 0.290 -1.931) 1.952 5.229 ( 0.000 0.018 0.913) 0.913 5.250 ( 0.000 0.251 1.969) 1.985 5.282 ( 0.000 0.289 -1.226) 1.259 5.300 ( -0.000 -1.026 -5.880) 5.969 5.436 ( 0.000 1.468 3.973) 4.235 5.521 ( 0.000 1.497 -4.314) 4.566 5.615 ( 0.000 1.452 3.542) 3.829 5.658 ( 0.000 0.494 -0.258) 0.557 ======================= Grid point 218 (83/86) ======================= q-point: (-0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -2.897 0.000 0.419) 2.927 1.028 ( -2.452 0.000 -2.870) 3.775 1.102 ( -11.272 0.000 1.727) 11.403 1.193 ( -8.495 0.000 -6.253) 10.549 1.252 ( -4.961 0.000 3.034) 5.815 1.264 ( 2.441 -0.000 2.233) 3.308 1.361 ( -0.227 0.000 4.940) 4.945 1.418 ( -0.816 0.000 0.131) 0.826 1.525 ( -3.685 0.000 3.776) 5.277 1.587 ( -2.510 0.000 -2.246) 3.368 1.682 ( -0.856 0.000 -1.466) 1.698 1.712 ( -0.759 0.000 -4.020) 4.091 1.855 ( -7.165 0.000 0.611) 7.191 1.873 ( -3.601 0.000 -0.739) 3.676 1.929 ( -1.913 0.000 1.243) 2.282 1.935 ( -0.976 0.000 1.790) 2.039 1.965 ( -0.969 0.000 -0.965) 1.367 1.965 ( -0.530 0.000 -0.032) 0.531 2.020 ( -6.908 0.000 1.490) 7.067 2.050 ( -3.669 0.000 -2.847) 4.644 2.133 ( -1.005 0.000 -2.333) 2.541 2.146 ( -5.340 0.000 -2.544) 5.915 2.237 ( -4.579 0.000 2.336) 5.140 2.254 ( -3.749 0.000 0.529) 3.786 2.372 ( -4.045 0.000 1.207) 4.221 2.373 ( -5.274 0.000 1.108) 5.389 2.379 ( 0.450 -0.000 2.665) 2.703 2.459 ( 0.925 -0.000 -4.908) 4.994 2.639 ( -10.131 0.000 3.400) 10.686 2.683 ( -5.464 0.000 -1.005) 5.556 2.711 ( 0.620 -0.000 1.824) 1.927 2.753 ( -1.629 0.000 -1.960) 2.549 2.812 ( -1.862 0.000 1.857) 2.630 2.856 ( -0.888 0.000 -2.005) 2.193 3.114 ( 3.742 -0.000 0.325) 3.756 3.122 ( 4.894 -0.000 -0.504) 4.920 3.728 ( -4.115 0.000 0.460) 4.140 3.738 ( -3.877 0.000 -0.494) 3.908 3.801 ( -6.090 0.000 1.673) 6.315 3.836 ( -6.448 0.000 -1.607) 6.645 3.901 ( -0.640 0.000 0.679) 0.934 3.933 ( -2.763 0.000 -2.481) 3.713 4.150 ( -0.227 0.000 1.201) 1.222 4.170 ( 0.065 -0.000 -0.758) 0.761 4.482 ( -0.148 0.000 2.838) 2.842 4.533 ( 2.387 -0.000 -0.923) 2.559 4.550 ( -2.697 0.000 0.753) 2.800 4.555 ( -0.637 0.000 0.202) 0.669 4.609 ( 0.866 -0.000 1.927) 2.112 4.663 ( -1.952 0.000 -1.648) 2.554 4.753 ( 3.825 -0.000 2.133) 4.380 4.792 ( 3.376 -0.000 -2.238) 4.050 4.802 ( 5.694 -0.000 2.633) 6.273 4.882 ( 3.088 -0.000 -3.494) 4.663 4.985 ( 1.471 -0.000 1.031) 1.796 5.019 ( 2.620 -0.000 -2.546) 3.653 5.137 ( 2.511 -0.000 2.304) 3.408 5.168 ( 1.630 -0.000 -0.866) 1.846 5.261 ( 2.520 -0.000 2.190) 3.338 5.314 ( -1.853 0.000 1.134) 2.173 5.337 ( 1.462 -0.000 -3.772) 4.045 5.366 ( -2.648 0.000 -2.027) 3.334 5.514 ( -2.089 0.000 2.214) 3.044 5.557 ( -0.833 0.000 -2.066) 2.228 5.568 ( -2.850 0.000 3.428) 4.458 5.619 ( -2.258 0.000 -1.599) 2.767 ======================= Grid point 220 (84/86) ======================= q-point: (-0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -12.253 1.515 4.039) 12.990 0.922 ( -6.764 2.269 -3.255) 7.842 0.966 ( -2.365 0.851 0.783) 2.632 1.050 ( -3.544 5.989 -5.615) 8.941 1.182 ( -1.937 -4.067 4.786) 6.573 1.275 ( -0.025 0.088 -3.386) 3.388 1.415 ( 3.545 0.450 5.808) 6.819 1.447 ( -2.746 0.629 2.767) 3.949 1.484 ( -5.155 0.132 -0.923) 5.238 1.520 ( 6.327 0.179 -1.602) 6.530 1.603 ( -9.113 -1.000 0.236) 9.171 1.640 ( -9.492 -0.397 -2.070) 9.723 1.720 ( 0.271 -0.324 2.940) 2.970 1.798 ( 3.666 -0.339 -3.282) 4.932 1.906 ( -1.874 0.621 -0.595) 2.062 1.910 ( -2.336 0.121 -0.711) 2.445 1.978 ( 1.167 1.673 0.621) 2.133 1.992 ( 1.096 2.373 -0.012) 2.614 2.011 ( 1.273 -1.541 0.754) 2.136 2.025 ( 1.070 -2.413 -0.404) 2.670 2.105 ( 0.104 1.273 -1.027) 1.639 2.120 ( -0.832 0.980 -3.352) 3.590 2.180 ( -0.481 -0.084 2.123) 2.179 2.201 ( -0.636 0.017 -0.363) 0.733 2.254 ( -4.781 7.399 1.425) 8.923 2.286 ( -4.009 2.150 -0.742) 4.609 2.380 ( -1.879 1.425 3.321) 4.073 2.457 ( -7.234 -8.242 1.980) 11.144 2.471 ( -1.686 3.230 -3.335) 4.939 2.551 ( -5.867 -6.273 -4.600) 9.744 2.707 ( -2.781 0.017 2.633) 3.829 2.724 ( 0.421 -0.262 1.048) 1.159 2.798 ( 0.175 0.087 1.846) 1.857 2.839 ( -0.616 0.514 -1.781) 1.953 3.179 ( 2.780 0.651 0.905) 2.995 3.192 ( 2.646 0.989 -0.489) 2.867 3.641 ( -4.331 0.947 0.498) 4.461 3.649 ( -5.316 0.575 -0.144) 5.349 3.665 ( -5.676 0.405 0.553) 5.717 3.682 ( -7.834 -0.817 -0.888) 7.926 3.890 ( -1.747 -0.744 -0.907) 2.105 3.895 ( -0.283 -0.737 -1.192) 1.430 4.173 ( 1.691 0.101 1.614) 2.340 4.204 ( 2.347 0.200 -1.324) 2.702 4.469 ( -0.523 2.033 4.253) 4.743 4.505 ( -1.555 -1.189 2.240) 2.975 4.544 ( 0.055 0.164 -0.744) 0.764 4.558 ( 0.106 -1.524 -2.157) 2.643 4.631 ( 0.433 -0.005 -0.576) 0.720 4.641 ( -0.318 -1.656 -1.345) 2.157 4.804 ( 2.163 0.320 6.407) 6.770 4.866 ( 3.403 0.488 -0.210) 3.444 4.928 ( 5.365 0.986 -1.076) 5.559 4.955 ( 4.147 -0.788 -2.788) 5.059 5.018 ( 1.948 0.222 1.528) 2.486 5.059 ( 1.426 0.074 -2.372) 2.769 5.153 ( -0.730 -0.014 1.292) 1.484 5.180 ( -0.370 0.014 -1.432) 1.479 5.272 ( -1.826 0.112 2.312) 2.948 5.281 ( -0.726 0.727 -0.679) 1.232 5.301 ( -3.666 -0.640 -2.520) 4.494 5.317 ( -2.194 -0.393 -2.308) 3.208 5.472 ( -2.076 0.493 3.292) 3.923 5.543 ( -0.871 0.494 -3.496) 3.637 5.594 ( 3.526 -0.085 2.851) 4.535 5.629 ( 2.828 -0.234 -0.366) 2.861 ======================= Grid point 221 (85/86) ======================= q-point: (-0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.000 3.052 6.256) 6.961 0.827 ( 0.000 1.421 -6.286) 6.445 0.912 ( 0.000 8.005 1.863) 8.219 0.981 ( 0.000 7.477 -3.251) 8.153 1.204 ( -0.000 -6.058 3.456) 6.974 1.295 ( -0.000 -3.117 -4.073) 5.129 1.390 ( 0.000 3.306 2.302) 4.028 1.427 ( 0.000 0.248 -1.246) 1.271 1.451 ( 0.000 1.478 6.568) 6.732 1.511 ( -0.000 -2.827 0.997) 2.998 1.537 ( -0.000 -1.232 -1.426) 1.885 1.587 ( 0.000 4.090 -5.012) 6.469 1.751 ( 0.000 3.226 6.652) 7.393 1.850 ( -0.000 -0.576 0.449) 0.730 1.863 ( -0.000 -0.925 -0.781) 1.211 1.881 ( 0.000 2.324 -4.890) 5.414 1.958 ( 0.000 4.194 0.868) 4.283 1.982 ( 0.000 1.971 -0.806) 2.130 2.035 ( -0.000 -1.958 0.753) 2.098 2.069 ( 0.000 1.068 2.164) 2.413 2.093 ( 0.000 0.303 -4.191) 4.202 2.111 ( 0.000 1.216 -1.870) 2.230 2.147 ( 0.000 6.094 2.114) 6.450 2.200 ( 0.000 3.158 -0.944) 3.296 2.216 ( 0.000 0.813 0.132) 0.823 2.218 ( 0.000 0.821 -0.023) 0.821 2.318 ( -0.000 -0.434 1.185) 1.262 2.387 ( 0.000 1.807 -4.162) 4.537 2.473 ( -0.000 -11.351 3.528) 11.887 2.560 ( -0.000 -7.082 -4.635) 8.464 2.676 ( -0.000 -0.553 4.465) 4.499 2.730 ( -0.000 -0.477 -0.125) 0.493 2.799 ( 0.000 0.581 1.189) 1.323 2.830 ( 0.000 0.873 -1.031) 1.351 3.204 ( 0.000 1.243 1.000) 1.595 3.212 ( 0.000 1.942 0.111) 1.945 3.571 ( 0.000 0.654 0.170) 0.676 3.576 ( 0.000 0.617 -0.405) 0.738 3.602 ( 0.000 0.793 0.744) 1.087 3.615 ( 0.000 0.855 -0.511) 0.997 3.878 ( -0.000 -1.037 -0.216) 1.059 3.897 ( -0.000 -1.139 -1.973) 2.278 4.190 ( 0.000 0.460 1.748) 1.808 4.227 ( 0.000 0.721 -1.750) 1.893 4.451 ( 0.000 2.116 5.153) 5.571 4.498 ( -0.000 -0.771 1.285) 1.499 4.547 ( -0.000 -0.630 -0.272) 0.686 4.568 ( -0.000 -1.520 -2.331) 2.783 4.635 ( -0.000 -1.319 -0.574) 1.439 4.656 ( -0.000 -2.701 -1.681) 3.181 4.824 ( 0.000 0.993 6.780) 6.852 4.896 ( 0.000 1.145 -0.333) 1.193 4.973 ( 0.000 1.270 0.501) 1.365 5.023 ( -0.000 -2.491 -3.018) 3.913 5.046 ( -0.000 -0.084 0.888) 0.892 5.069 ( -0.000 -0.042 -1.396) 1.396 5.135 ( 0.000 0.137 1.705) 1.711 5.171 ( 0.000 0.157 -1.957) 1.963 5.236 ( 0.000 0.866 -0.308) 0.919 5.252 ( 0.000 0.150 1.993) 1.998 5.284 ( 0.000 0.166 -1.236) 1.247 5.291 ( -0.000 -0.679 -5.363) 5.406 5.449 ( 0.000 0.779 4.128) 4.201 5.531 ( 0.000 0.495 -3.822) 3.854 5.631 ( 0.000 1.244 2.774) 3.041 5.664 ( 0.000 0.492 -0.216) 0.538 ======================= Grid point 233 (86/86) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.000 0.000 5.840) 5.840 0.835 ( 0.000 0.000 -5.814) 5.814 0.956 ( 0.000 0.000 1.699) 1.699 1.048 ( -0.000 -0.000 -6.721) 6.721 1.145 ( 0.000 0.000 7.938) 7.938 1.274 ( 0.000 0.000 -4.748) 4.748 1.415 ( -0.000 -0.000 1.039) 1.039 1.424 ( 0.000 0.000 -0.017) 0.017 1.460 ( 0.000 0.000 6.419) 6.419 1.493 ( 0.000 0.000 1.411) 1.411 1.530 ( 0.000 0.000 -1.934) 1.934 1.606 ( 0.000 0.000 -6.610) 6.610 1.774 ( 0.000 0.000 7.232) 7.232 1.847 ( 0.000 0.000 0.327) 0.327 1.857 ( 0.000 0.000 -0.661) 0.661 1.892 ( 0.000 0.000 -3.958) 3.958 1.990 ( 0.000 0.000 0.689) 0.689 1.998 ( 0.000 0.000 -0.123) 0.123 2.012 ( 0.000 0.000 0.400) 0.400 2.075 ( 0.000 0.000 2.192) 2.192 2.090 ( 0.000 0.000 -5.817) 5.817 2.118 ( 0.000 0.000 -1.917) 1.917 2.211 ( 0.000 0.000 2.485) 2.485 2.221 ( 0.000 0.000 0.143) 0.143 2.222 ( 0.000 0.000 -0.021) 0.021 2.246 ( -0.000 -0.000 -0.974) 0.974 2.281 ( 0.000 0.000 6.014) 6.014 2.383 ( 0.000 0.000 -1.370) 1.370 2.422 ( 0.000 0.000 -1.632) 1.632 2.506 ( 0.000 0.000 -6.627) 6.627 2.674 ( 0.000 0.000 4.639) 4.639 2.727 ( 0.000 0.000 -0.126) 0.126 2.802 ( 0.000 0.000 2.053) 2.053 2.835 ( 0.000 0.000 -1.211) 1.211 3.211 ( 0.000 0.000 1.186) 1.186 3.223 ( 0.000 0.000 -0.099) 0.099 3.575 ( 0.000 0.000 0.157) 0.157 3.580 ( 0.000 0.000 -0.400) 0.400 3.607 ( 0.000 0.000 0.765) 0.765 3.620 ( 0.000 0.000 -0.524) 0.524 3.872 ( 0.000 0.000 -0.302) 0.302 3.891 ( 0.000 0.000 -1.987) 1.987 4.193 ( 0.000 0.000 1.952) 1.952 4.232 ( 0.000 0.000 -1.680) 1.680 4.474 ( 0.000 0.000 3.697) 3.697 4.483 ( 0.000 0.000 3.334) 3.334 4.546 ( 0.000 0.000 -0.957) 0.957 4.556 ( 0.000 0.000 -2.286) 2.286 4.628 ( 0.000 0.000 -1.182) 1.182 4.640 ( 0.000 0.000 -1.608) 1.608 4.830 ( 0.000 0.000 7.402) 7.402 4.903 ( 0.000 0.000 0.002) 0.002 4.988 ( 0.000 0.000 -0.935) 0.935 5.001 ( -0.000 -0.000 -2.305) 2.305 5.045 ( 0.000 0.000 0.899) 0.899 5.069 ( 0.000 0.000 -1.406) 1.406 5.136 ( 0.000 0.000 1.708) 1.708 5.171 ( 0.000 0.000 -1.964) 1.964 5.242 ( 0.000 0.000 -0.878) 0.878 5.253 ( 0.000 0.000 1.999) 1.999 5.285 ( 0.000 0.000 -1.239) 1.239 5.286 ( 0.000 0.000 -4.981) 4.981 5.453 ( 0.000 0.000 4.135) 4.135 5.534 ( 0.000 0.000 -3.547) 3.547 5.639 ( 0.000 0.000 2.439) 2.439 5.667 ( 0.000 0.000 -0.196) 0.196 =================== 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 3/28512 10.0 156.439 261.253 139.245 0.000 0.000 0.000 3/28512 20.0 34.303 25.061 19.544 0.000 0.000 0.000 3/28512 30.0 16.287 9.691 8.229 0.000 0.000 0.000 3/28512 40.0 10.193 5.664 4.959 0.000 0.000 0.000 3/28512 50.0 7.298 3.941 3.500 0.000 0.000 0.000 3/28512 60.0 5.660 3.011 2.697 0.000 0.000 0.000 3/28512 70.0 4.622 2.437 2.196 0.000 0.000 0.000 3/28512 80.0 3.911 2.049 1.855 0.000 0.000 0.000 3/28512 90.0 3.394 1.770 1.609 0.000 0.000 0.000 3/28512 100.0 3.001 1.560 1.422 0.000 0.000 0.000 3/28512 110.0 2.693 1.396 1.275 0.000 0.000 0.000 3/28512 120.0 2.443 1.264 1.157 0.000 0.000 0.000 3/28512 130.0 2.238 1.155 1.059 0.000 0.000 0.000 3/28512 140.0 2.065 1.064 0.977 0.000 0.000 0.000 3/28512 150.0 1.918 0.987 0.907 0.000 0.000 0.000 3/28512 160.0 1.790 0.921 0.847 0.000 0.000 0.000 3/28512 170.0 1.680 0.863 0.795 0.000 0.000 0.000 3/28512 180.0 1.582 0.812 0.748 0.000 0.000 0.000 3/28512 190.0 1.495 0.767 0.707 0.000 0.000 0.000 3/28512 200.0 1.418 0.727 0.671 0.000 0.000 0.000 3/28512 210.0 1.348 0.690 0.638 0.000 0.000 0.000 3/28512 220.0 1.285 0.658 0.608 0.000 0.000 0.000 3/28512 230.0 1.227 0.628 0.581 0.000 0.000 0.000 3/28512 240.0 1.175 0.601 0.556 0.000 0.000 0.000 3/28512 250.0 1.127 0.576 0.533 0.000 0.000 0.000 3/28512 260.0 1.083 0.553 0.512 0.000 0.000 0.000 3/28512 270.0 1.042 0.532 0.493 0.000 0.000 0.000 3/28512 280.0 1.004 0.513 0.475 0.000 0.000 0.000 3/28512 290.0 0.969 0.495 0.458 0.000 0.000 0.000 3/28512 300.0 0.936 0.478 0.443 0.000 0.000 0.000 3/28512 310.0 0.906 0.462 0.428 0.000 0.000 0.000 3/28512 320.0 0.877 0.448 0.415 0.000 0.000 0.000 3/28512 330.0 0.850 0.434 0.402 0.000 0.000 0.000 3/28512 340.0 0.825 0.421 0.390 0.000 0.000 0.000 3/28512 350.0 0.801 0.409 0.379 0.000 0.000 0.000 3/28512 360.0 0.779 0.397 0.368 0.000 0.000 0.000 3/28512 370.0 0.757 0.386 0.358 0.000 0.000 0.000 3/28512 380.0 0.737 0.376 0.349 0.000 0.000 0.000 3/28512 390.0 0.718 0.366 0.340 0.000 0.000 0.000 3/28512 400.0 0.700 0.357 0.331 0.000 0.000 0.000 3/28512 410.0 0.683 0.348 0.323 0.000 0.000 0.000 3/28512 420.0 0.667 0.340 0.315 0.000 0.000 0.000 3/28512 430.0 0.651 0.332 0.308 0.000 0.000 0.000 3/28512 440.0 0.636 0.324 0.301 0.000 0.000 0.000 3/28512 450.0 0.622 0.317 0.294 0.000 0.000 0.000 3/28512 460.0 0.608 0.310 0.288 0.000 0.000 0.000 3/28512 470.0 0.595 0.303 0.282 0.000 0.000 0.000 3/28512 480.0 0.583 0.297 0.276 0.000 0.000 0.000 3/28512 490.0 0.571 0.291 0.270 0.000 0.000 0.000 3/28512 500.0 0.560 0.285 0.265 0.000 0.000 0.000 3/28512 510.0 0.549 0.279 0.259 0.000 0.000 0.000 3/28512 520.0 0.538 0.274 0.254 0.000 0.000 0.000 3/28512 530.0 0.528 0.269 0.250 0.000 0.000 0.000 3/28512 540.0 0.518 0.264 0.245 0.000 0.000 0.000 3/28512 550.0 0.509 0.259 0.241 0.000 0.000 0.000 3/28512 560.0 0.499 0.254 0.236 0.000 0.000 0.000 3/28512 570.0 0.491 0.250 0.232 0.000 0.000 0.000 3/28512 580.0 0.482 0.245 0.228 0.000 0.000 0.000 3/28512 590.0 0.474 0.241 0.224 0.000 0.000 0.000 3/28512 600.0 0.466 0.237 0.220 0.000 0.000 0.000 3/28512 610.0 0.458 0.233 0.217 0.000 0.000 0.000 3/28512 620.0 0.451 0.230 0.213 0.000 0.000 0.000 3/28512 630.0 0.444 0.226 0.210 0.000 0.000 0.000 3/28512 640.0 0.437 0.222 0.207 0.000 0.000 0.000 3/28512 650.0 0.430 0.219 0.203 0.000 0.000 0.000 3/28512 660.0 0.424 0.216 0.200 0.000 0.000 0.000 3/28512 670.0 0.417 0.212 0.197 0.000 0.000 0.000 3/28512 680.0 0.411 0.209 0.195 0.000 0.000 0.000 3/28512 690.0 0.405 0.206 0.192 0.000 0.000 0.000 3/28512 700.0 0.399 0.203 0.189 0.000 0.000 0.000 3/28512 710.0 0.394 0.200 0.186 0.000 0.000 0.000 3/28512 720.0 0.388 0.198 0.184 0.000 0.000 0.000 3/28512 730.0 0.383 0.195 0.181 0.000 0.000 0.000 3/28512 740.0 0.378 0.192 0.179 0.000 0.000 0.000 3/28512 750.0 0.373 0.190 0.176 0.000 0.000 0.000 3/28512 760.0 0.368 0.187 0.174 0.000 0.000 0.000 3/28512 770.0 0.363 0.185 0.172 0.000 0.000 0.000 3/28512 780.0 0.358 0.182 0.170 0.000 0.000 0.000 3/28512 790.0 0.354 0.180 0.167 0.000 0.000 0.000 3/28512 800.0 0.349 0.178 0.165 0.000 0.000 0.000 3/28512 810.0 0.345 0.176 0.163 0.000 0.000 0.000 3/28512 820.0 0.341 0.173 0.161 0.000 0.000 0.000 3/28512 830.0 0.337 0.171 0.159 0.000 0.000 0.000 3/28512 840.0 0.333 0.169 0.157 0.000 0.000 0.000 3/28512 850.0 0.329 0.167 0.156 0.000 0.000 0.000 3/28512 860.0 0.325 0.165 0.154 0.000 0.000 0.000 3/28512 870.0 0.321 0.163 0.152 0.000 0.000 0.000 3/28512 880.0 0.318 0.162 0.150 0.000 0.000 0.000 3/28512 890.0 0.314 0.160 0.149 0.000 0.000 0.000 3/28512 900.0 0.311 0.158 0.147 0.000 0.000 0.000 3/28512 910.0 0.307 0.156 0.145 0.000 0.000 0.000 3/28512 920.0 0.304 0.155 0.144 0.000 0.000 0.000 3/28512 930.0 0.301 0.153 0.142 0.000 0.000 0.000 3/28512 940.0 0.297 0.151 0.141 0.000 0.000 0.000 3/28512 950.0 0.294 0.150 0.139 0.000 0.000 0.000 3/28512 960.0 0.291 0.148 0.138 0.000 0.000 0.000 3/28512 970.0 0.288 0.147 0.136 0.000 0.000 0.000 3/28512 980.0 0.285 0.145 0.135 0.000 0.000 0.000 3/28512 990.0 0.282 0.144 0.134 0.000 0.000 0.000 3/28512 1000.0 0.280 0.142 0.132 0.000 0.000 0.000 3/28512 Thermal conductivity related properties were written into "kappa-m12123.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:50:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|