----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:22:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.446308175000000 6.744137040000000 b 3.205407655000000 0.000000000000000 6.744137040000000 c 3.205407655000000 5.446308175000000 0.000000000000000 Atomic positions (fractional): *1 S 0.05985926909843 0.72357013845625 0.27642986154375 32.065 2 S 0.72357013845625 0.05985926909843 0.94014073090157 32.065 3 S 0.94014073090157 0.27642986154375 0.72357013845625 32.065 4 S 0.27642986154375 0.94014073090157 0.05985926909843 32.065 *5 Cs 0.65388868390026 0.65388868390026 0.34611131609974 132.905 6 Cs 0.34611131609974 0.34611131609974 0.65388868390026 132.905 *7 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 *8 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 9 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.410815310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.892616350000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.488274080000000 Atomic positions (fractional): *1 S 0.00000000000000 0.66814456532109 0.39171470377734 32.065 > 1 2 S 0.00000000000000 0.33185543467891 0.39171470377734 32.065 > 2 3 S 0.50000000000000 0.33185543467891 0.10828529622266 32.065 > 3 4 S 0.50000000000000 0.66814456532109 0.10828529622266 32.065 > 4 5 S 0.00000000000000 0.16814456532109 0.89171470377734 32.065 > 1 6 S 0.00000000000000 0.83185543467891 0.89171470377734 32.065 > 2 7 S 0.50000000000000 0.83185543467891 0.60828529622266 32.065 > 3 8 S 0.50000000000000 0.16814456532109 0.60828529622266 32.065 > 4 9 S 0.50000000000000 0.66814456532109 0.89171470377734 32.065 > 1 10 S 0.50000000000000 0.33185543467891 0.89171470377734 32.065 > 2 11 S 0.00000000000000 0.33185543467891 0.60828529622266 32.065 > 3 12 S 0.00000000000000 0.66814456532109 0.60828529622266 32.065 > 4 13 S 0.50000000000000 0.16814456532109 0.39171470377734 32.065 > 1 14 S 0.50000000000000 0.83185543467891 0.39171470377734 32.065 > 2 15 S 0.00000000000000 0.83185543467891 0.10828529622266 32.065 > 3 16 S 0.00000000000000 0.16814456532109 0.10828529622266 32.065 > 4 *17 Cs 0.50000000000000 0.00000000000000 0.15388868390026 132.905 > 5 18 Cs 0.00000000000000 0.00000000000000 0.34611131609974 132.905 > 6 19 Cs 0.50000000000000 0.50000000000000 0.65388868390026 132.905 > 5 20 Cs 0.00000000000000 0.50000000000000 0.84611131609974 132.905 > 6 21 Cs 0.00000000000000 0.00000000000000 0.65388868390026 132.905 > 5 22 Cs 0.50000000000000 0.00000000000000 0.84611131609974 132.905 > 6 23 Cs 0.00000000000000 0.50000000000000 0.15388868390026 132.905 > 5 24 Cs 0.50000000000000 0.50000000000000 0.34611131609974 132.905 > 6 *25 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 7 *26 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 8 27 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 9 28 Pt 0.75000000000000 0.75000000000000 0.50000000000000 195.084 > 7 29 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 8 30 Pt 0.75000000000000 0.25000000000000 0.50000000000000 195.084 > 9 31 Pt 0.25000000000000 0.25000000000000 0.50000000000000 195.084 > 7 32 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 8 33 Pt 0.25000000000000 0.75000000000000 0.50000000000000 195.084 > 9 34 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 7 35 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 8 36 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.821630620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 21.785232700000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.488274080000000 Atomic positions (fractional): *1 S 0.00000000000000 0.33407228266055 0.39171470377734 32.065 > 1 2 S 0.50000000000000 0.33407228266055 0.39171470377734 32.065 > 1 3 S 0.00000000000000 0.83407228266055 0.39171470377734 32.065 > 1 4 S 0.50000000000000 0.83407228266055 0.39171470377734 32.065 > 1 5 S 0.00000000000000 0.16592771733945 0.39171470377734 32.065 > 2 6 S 0.50000000000000 0.16592771733945 0.39171470377734 32.065 > 2 7 S 0.00000000000000 0.66592771733945 0.39171470377734 32.065 > 2 8 S 0.50000000000000 0.66592771733945 0.39171470377734 32.065 > 2 9 S 0.25000000000000 0.16592771733945 0.10828529622266 32.065 > 3 10 S 0.75000000000000 0.16592771733945 0.10828529622266 32.065 > 3 11 S 0.25000000000000 0.66592771733945 0.10828529622266 32.065 > 3 12 S 0.75000000000000 0.66592771733945 0.10828529622266 32.065 > 3 13 S 0.25000000000000 0.33407228266055 0.10828529622266 32.065 > 4 14 S 0.75000000000000 0.33407228266055 0.10828529622266 32.065 > 4 15 S 0.25000000000000 0.83407228266055 0.10828529622266 32.065 > 4 16 S 0.75000000000000 0.83407228266055 0.10828529622266 32.065 > 4 17 S 0.00000000000000 0.08407228266055 0.89171470377734 32.065 > 1 18 S 0.50000000000000 0.08407228266055 0.89171470377734 32.065 > 1 19 S 0.00000000000000 0.58407228266055 0.89171470377734 32.065 > 1 20 S 0.50000000000000 0.58407228266055 0.89171470377734 32.065 > 1 21 S 0.00000000000000 0.41592771733945 0.89171470377734 32.065 > 2 22 S 0.50000000000000 0.41592771733945 0.89171470377734 32.065 > 2 23 S 0.00000000000000 0.91592771733945 0.89171470377734 32.065 > 2 24 S 0.50000000000000 0.91592771733945 0.89171470377734 32.065 > 2 25 S 0.25000000000000 0.41592771733945 0.60828529622266 32.065 > 3 26 S 0.75000000000000 0.41592771733945 0.60828529622266 32.065 > 3 27 S 0.25000000000000 0.91592771733945 0.60828529622266 32.065 > 3 28 S 0.75000000000000 0.91592771733945 0.60828529622266 32.065 > 3 29 S 0.25000000000000 0.08407228266055 0.60828529622266 32.065 > 4 30 S 0.75000000000000 0.08407228266055 0.60828529622266 32.065 > 4 31 S 0.25000000000000 0.58407228266055 0.60828529622266 32.065 > 4 32 S 0.75000000000000 0.58407228266055 0.60828529622266 32.065 > 4 33 S 0.25000000000000 0.33407228266055 0.89171470377734 32.065 > 1 34 S 0.75000000000000 0.33407228266055 0.89171470377734 32.065 > 1 35 S 0.25000000000000 0.83407228266055 0.89171470377734 32.065 > 1 36 S 0.75000000000000 0.83407228266055 0.89171470377734 32.065 > 1 37 S 0.25000000000000 0.16592771733945 0.89171470377734 32.065 > 2 38 S 0.75000000000000 0.16592771733945 0.89171470377734 32.065 > 2 39 S 0.25000000000000 0.66592771733945 0.89171470377734 32.065 > 2 40 S 0.75000000000000 0.66592771733945 0.89171470377734 32.065 > 2 41 S 0.00000000000000 0.16592771733945 0.60828529622266 32.065 > 3 42 S 0.50000000000000 0.16592771733945 0.60828529622266 32.065 > 3 43 S 0.00000000000000 0.66592771733945 0.60828529622266 32.065 > 3 44 S 0.50000000000000 0.66592771733945 0.60828529622266 32.065 > 3 45 S 0.00000000000000 0.33407228266055 0.60828529622266 32.065 > 4 46 S 0.50000000000000 0.33407228266055 0.60828529622266 32.065 > 4 47 S 0.00000000000000 0.83407228266055 0.60828529622266 32.065 > 4 48 S 0.50000000000000 0.83407228266055 0.60828529622266 32.065 > 4 49 S 0.25000000000000 0.08407228266055 0.39171470377734 32.065 > 1 50 S 0.75000000000000 0.08407228266055 0.39171470377734 32.065 > 1 51 S 0.25000000000000 0.58407228266055 0.39171470377734 32.065 > 1 52 S 0.75000000000000 0.58407228266055 0.39171470377734 32.065 > 1 53 S 0.25000000000000 0.41592771733945 0.39171470377734 32.065 > 2 54 S 0.75000000000000 0.41592771733945 0.39171470377734 32.065 > 2 55 S 0.25000000000000 0.91592771733945 0.39171470377734 32.065 > 2 56 S 0.75000000000000 0.91592771733945 0.39171470377734 32.065 > 2 57 S 0.00000000000000 0.41592771733945 0.10828529622266 32.065 > 3 58 S 0.50000000000000 0.41592771733945 0.10828529622266 32.065 > 3 59 S 0.00000000000000 0.91592771733945 0.10828529622266 32.065 > 3 60 S 0.50000000000000 0.91592771733945 0.10828529622266 32.065 > 3 61 S 0.00000000000000 0.08407228266055 0.10828529622266 32.065 > 4 62 S 0.50000000000000 0.08407228266055 0.10828529622266 32.065 > 4 63 S 0.00000000000000 0.58407228266055 0.10828529622266 32.065 > 4 64 S 0.50000000000000 0.58407228266055 0.10828529622266 32.065 > 4 *65 Cs 0.25000000000000 0.00000000000000 0.15388868390026 132.905 > 5 66 Cs 0.75000000000000 0.00000000000000 0.15388868390026 132.905 > 5 67 Cs 0.25000000000000 0.50000000000000 0.15388868390026 132.905 > 5 68 Cs 0.75000000000000 0.50000000000000 0.15388868390026 132.905 > 5 69 Cs 0.00000000000000 0.00000000000000 0.34611131609974 132.905 > 6 70 Cs 0.50000000000000 0.00000000000000 0.34611131609974 132.905 > 6 71 Cs 0.00000000000000 0.50000000000000 0.34611131609974 132.905 > 6 72 Cs 0.50000000000000 0.50000000000000 0.34611131609974 132.905 > 6 73 Cs 0.25000000000000 0.25000000000000 0.65388868390026 132.905 > 5 74 Cs 0.75000000000000 0.25000000000000 0.65388868390026 132.905 > 5 75 Cs 0.25000000000000 0.75000000000000 0.65388868390026 132.905 > 5 76 Cs 0.75000000000000 0.75000000000000 0.65388868390026 132.905 > 5 77 Cs 0.00000000000000 0.25000000000000 0.84611131609974 132.905 > 6 78 Cs 0.50000000000000 0.25000000000000 0.84611131609974 132.905 > 6 79 Cs 0.00000000000000 0.75000000000000 0.84611131609974 132.905 > 6 80 Cs 0.50000000000000 0.75000000000000 0.84611131609974 132.905 > 6 81 Cs 0.00000000000000 0.00000000000000 0.65388868390026 132.905 > 5 82 Cs 0.50000000000000 0.00000000000000 0.65388868390026 132.905 > 5 83 Cs 0.00000000000000 0.50000000000000 0.65388868390026 132.905 > 5 84 Cs 0.50000000000000 0.50000000000000 0.65388868390026 132.905 > 5 85 Cs 0.25000000000000 0.00000000000000 0.84611131609974 132.905 > 6 86 Cs 0.75000000000000 0.00000000000000 0.84611131609974 132.905 > 6 87 Cs 0.25000000000000 0.50000000000000 0.84611131609974 132.905 > 6 88 Cs 0.75000000000000 0.50000000000000 0.84611131609974 132.905 > 6 89 Cs 0.00000000000000 0.25000000000000 0.15388868390026 132.905 > 5 90 Cs 0.50000000000000 0.25000000000000 0.15388868390026 132.905 > 5 91 Cs 0.00000000000000 0.75000000000000 0.15388868390026 132.905 > 5 92 Cs 0.50000000000000 0.75000000000000 0.15388868390026 132.905 > 5 93 Cs 0.25000000000000 0.25000000000000 0.34611131609974 132.905 > 6 94 Cs 0.75000000000000 0.25000000000000 0.34611131609974 132.905 > 6 95 Cs 0.25000000000000 0.75000000000000 0.34611131609974 132.905 > 6 96 Cs 0.75000000000000 0.75000000000000 0.34611131609974 132.905 > 6 *97 Pt 0.37500000000000 0.12500000000000 0.00000000000000 195.084 > 7 98 Pt 0.87500000000000 0.12500000000000 0.00000000000000 195.084 > 7 99 Pt 0.37500000000000 0.62500000000000 0.00000000000000 195.084 > 7 100 Pt 0.87500000000000 0.62500000000000 0.00000000000000 195.084 > 7 *101 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 8 102 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 8 103 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 8 104 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 8 105 Pt 0.37500000000000 0.37500000000000 0.00000000000000 195.084 > 9 106 Pt 0.87500000000000 0.37500000000000 0.00000000000000 195.084 > 9 107 Pt 0.37500000000000 0.87500000000000 0.00000000000000 195.084 > 9 108 Pt 0.87500000000000 0.87500000000000 0.00000000000000 195.084 > 9 109 Pt 0.37500000000000 0.37500000000000 0.50000000000000 195.084 > 7 110 Pt 0.87500000000000 0.37500000000000 0.50000000000000 195.084 > 7 111 Pt 0.37500000000000 0.87500000000000 0.50000000000000 195.084 > 7 112 Pt 0.87500000000000 0.87500000000000 0.50000000000000 195.084 > 7 113 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 8 114 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 8 115 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 8 116 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 8 117 Pt 0.37500000000000 0.12500000000000 0.50000000000000 195.084 > 9 118 Pt 0.87500000000000 0.12500000000000 0.50000000000000 195.084 > 9 119 Pt 0.37500000000000 0.62500000000000 0.50000000000000 195.084 > 9 120 Pt 0.87500000000000 0.62500000000000 0.50000000000000 195.084 > 9 121 Pt 0.12500000000000 0.12500000000000 0.50000000000000 195.084 > 7 122 Pt 0.62500000000000 0.12500000000000 0.50000000000000 195.084 > 7 123 Pt 0.12500000000000 0.62500000000000 0.50000000000000 195.084 > 7 124 Pt 0.62500000000000 0.62500000000000 0.50000000000000 195.084 > 7 125 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 8 126 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 8 127 Pt 0.25000000000000 0.50000000000000 0.50000000000000 195.084 > 8 128 Pt 0.75000000000000 0.50000000000000 0.50000000000000 195.084 > 8 129 Pt 0.12500000000000 0.37500000000000 0.50000000000000 195.084 > 9 130 Pt 0.62500000000000 0.37500000000000 0.50000000000000 195.084 > 9 131 Pt 0.12500000000000 0.87500000000000 0.50000000000000 195.084 > 9 132 Pt 0.62500000000000 0.87500000000000 0.50000000000000 195.084 > 9 133 Pt 0.12500000000000 0.37500000000000 0.00000000000000 195.084 > 7 134 Pt 0.62500000000000 0.37500000000000 0.00000000000000 195.084 > 7 135 Pt 0.12500000000000 0.87500000000000 0.00000000000000 195.084 > 7 136 Pt 0.62500000000000 0.87500000000000 0.00000000000000 195.084 > 7 137 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 8 138 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 8 139 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 8 140 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 8 141 Pt 0.12500000000000 0.12500000000000 0.00000000000000 195.084 > 9 142 Pt 0.62500000000000 0.12500000000000 0.00000000000000 195.084 > 9 143 Pt 0.12500000000000 0.62500000000000 0.00000000000000 195.084 > 9 144 Pt 0.62500000000000 0.62500000000000 0.00000000000000 195.084 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3478054 0.0000000 0.0000000 0.0000000 7.4301283 0.0000000 0.0000000 0.0000000 4.3929846 -------------------------- Born effective charges -------------------------- 1 S -0.8979367 0.0000000 0.0000000 0.0000000 -0.9617495 -0.1091446 0.0000000 -0.0345379 -0.8573720 2 S -0.8979367 0.0000000 0.0000000 0.0000000 -0.9617495 0.1091446 0.0000000 0.0345379 -0.8573720 3 S -0.8979367 0.0000000 0.0000000 0.0000000 -0.9617495 -0.1091446 0.0000000 -0.0345379 -0.8573720 4 S -0.8979367 0.0000000 0.0000000 0.0000000 -0.9617495 0.1091446 0.0000000 0.0345379 -0.8573720 5 Cs 1.4619762 0.0000000 0.0000000 0.0000000 1.6540426 0.0000000 0.0000000 0.0000000 1.3918478 6 Cs 1.4619762 0.0000000 0.0000000 0.0000000 1.6540426 0.0000000 0.0000000 0.0000000 1.3918478 7 Pt 0.7562851 -0.8976610 0.0000000 -1.0045313 -0.3448691 0.0000000 0.0000000 0.0000000 0.2173404 8 Pt -0.8447760 0.0000000 0.0000000 0.0000000 1.2286510 0.0000000 0.0000000 0.0000000 0.2111116 9 Pt 0.7562851 0.8976610 0.0000000 1.0045313 -0.3448691 0.0000000 0.0000000 0.0000000 0.2173404 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (1, 1), data: True |-- (100, 100), data: True |-- (128, 126), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 160 - Time: 1.166 Solver_block: 160 / 160 - Time: 0.726 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.913 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (1, 1), data: True |-- (100, 100), data: True |-- (128, 126), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:22:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:22:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.446308175000000 6.744137040000000 b 3.205407655000000 0.000000000000000 6.744137040000000 c 3.205407655000000 5.446308175000000 0.000000000000000 Atomic positions (fractional): 1 S 0.05985926909843 0.72357013845625 0.27642986154375 32.065 2 S 0.72357013845625 0.05985926909843 0.94014073090157 32.065 3 S 0.94014073090157 0.27642986154375 0.72357013845625 32.065 4 S 0.27642986154375 0.94014073090157 0.05985926909843 32.065 5 Cs 0.65388868390026 0.65388868390026 0.34611131609974 132.905 6 Cs 0.34611131609974 0.34611131609974 0.65388868390026 132.905 7 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 8 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 9 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.821630620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 21.785232700000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.488274080000000 Atomic positions (fractional): 1 S 0.00000000000000 0.33407228266055 0.39171470377734 32.065 > 1 2 S 0.50000000000000 0.33407228266055 0.39171470377734 32.065 > 1 3 S 0.00000000000000 0.83407228266055 0.39171470377734 32.065 > 1 4 S 0.50000000000000 0.83407228266055 0.39171470377734 32.065 > 1 5 S 0.00000000000000 0.16592771733945 0.39171470377734 32.065 > 5 6 S 0.50000000000000 0.16592771733945 0.39171470377734 32.065 > 5 7 S 0.00000000000000 0.66592771733945 0.39171470377734 32.065 > 5 8 S 0.50000000000000 0.66592771733945 0.39171470377734 32.065 > 5 9 S 0.25000000000000 0.16592771733945 0.10828529622266 32.065 > 9 10 S 0.75000000000000 0.16592771733945 0.10828529622266 32.065 > 9 11 S 0.25000000000000 0.66592771733945 0.10828529622266 32.065 > 9 12 S 0.75000000000000 0.66592771733945 0.10828529622266 32.065 > 9 13 S 0.25000000000000 0.33407228266055 0.10828529622266 32.065 > 13 14 S 0.75000000000000 0.33407228266055 0.10828529622266 32.065 > 13 15 S 0.25000000000000 0.83407228266055 0.10828529622266 32.065 > 13 16 S 0.75000000000000 0.83407228266055 0.10828529622266 32.065 > 13 17 S 0.00000000000000 0.08407228266055 0.89171470377734 32.065 > 1 18 S 0.50000000000000 0.08407228266055 0.89171470377734 32.065 > 1 19 S 0.00000000000000 0.58407228266055 0.89171470377734 32.065 > 1 20 S 0.50000000000000 0.58407228266055 0.89171470377734 32.065 > 1 21 S 0.00000000000000 0.41592771733945 0.89171470377734 32.065 > 5 22 S 0.50000000000000 0.41592771733945 0.89171470377734 32.065 > 5 23 S 0.00000000000000 0.91592771733945 0.89171470377734 32.065 > 5 24 S 0.50000000000000 0.91592771733945 0.89171470377734 32.065 > 5 25 S 0.25000000000000 0.41592771733945 0.60828529622266 32.065 > 9 26 S 0.75000000000000 0.41592771733945 0.60828529622266 32.065 > 9 27 S 0.25000000000000 0.91592771733945 0.60828529622266 32.065 > 9 28 S 0.75000000000000 0.91592771733945 0.60828529622266 32.065 > 9 29 S 0.25000000000000 0.08407228266055 0.60828529622266 32.065 > 13 30 S 0.75000000000000 0.08407228266055 0.60828529622266 32.065 > 13 31 S 0.25000000000000 0.58407228266055 0.60828529622266 32.065 > 13 32 S 0.75000000000000 0.58407228266055 0.60828529622266 32.065 > 13 33 S 0.25000000000000 0.33407228266055 0.89171470377734 32.065 > 1 34 S 0.75000000000000 0.33407228266055 0.89171470377734 32.065 > 1 35 S 0.25000000000000 0.83407228266055 0.89171470377734 32.065 > 1 36 S 0.75000000000000 0.83407228266055 0.89171470377734 32.065 > 1 37 S 0.25000000000000 0.16592771733945 0.89171470377734 32.065 > 5 38 S 0.75000000000000 0.16592771733945 0.89171470377734 32.065 > 5 39 S 0.25000000000000 0.66592771733945 0.89171470377734 32.065 > 5 40 S 0.75000000000000 0.66592771733945 0.89171470377734 32.065 > 5 41 S 0.00000000000000 0.16592771733945 0.60828529622266 32.065 > 9 42 S 0.50000000000000 0.16592771733945 0.60828529622266 32.065 > 9 43 S 0.00000000000000 0.66592771733945 0.60828529622266 32.065 > 9 44 S 0.50000000000000 0.66592771733945 0.60828529622266 32.065 > 9 45 S 0.00000000000000 0.33407228266055 0.60828529622266 32.065 > 13 46 S 0.50000000000000 0.33407228266055 0.60828529622266 32.065 > 13 47 S 0.00000000000000 0.83407228266055 0.60828529622266 32.065 > 13 48 S 0.50000000000000 0.83407228266055 0.60828529622266 32.065 > 13 49 S 0.25000000000000 0.08407228266055 0.39171470377734 32.065 > 1 50 S 0.75000000000000 0.08407228266055 0.39171470377734 32.065 > 1 51 S 0.25000000000000 0.58407228266055 0.39171470377734 32.065 > 1 52 S 0.75000000000000 0.58407228266055 0.39171470377734 32.065 > 1 53 S 0.25000000000000 0.41592771733945 0.39171470377734 32.065 > 5 54 S 0.75000000000000 0.41592771733945 0.39171470377734 32.065 > 5 55 S 0.25000000000000 0.91592771733945 0.39171470377734 32.065 > 5 56 S 0.75000000000000 0.91592771733945 0.39171470377734 32.065 > 5 57 S 0.00000000000000 0.41592771733945 0.10828529622266 32.065 > 9 58 S 0.50000000000000 0.41592771733945 0.10828529622266 32.065 > 9 59 S 0.00000000000000 0.91592771733945 0.10828529622266 32.065 > 9 60 S 0.50000000000000 0.91592771733945 0.10828529622266 32.065 > 9 61 S 0.00000000000000 0.08407228266055 0.10828529622266 32.065 > 13 62 S 0.50000000000000 0.08407228266055 0.10828529622266 32.065 > 13 63 S 0.00000000000000 0.58407228266055 0.10828529622266 32.065 > 13 64 S 0.50000000000000 0.58407228266055 0.10828529622266 32.065 > 13 65 Cs 0.25000000000000 0.00000000000000 0.15388868390026 132.905 > 65 66 Cs 0.75000000000000 0.00000000000000 0.15388868390026 132.905 > 65 67 Cs 0.25000000000000 0.50000000000000 0.15388868390026 132.905 > 65 68 Cs 0.75000000000000 0.50000000000000 0.15388868390026 132.905 > 65 69 Cs 0.00000000000000 0.00000000000000 0.34611131609974 132.905 > 69 70 Cs 0.50000000000000 0.00000000000000 0.34611131609974 132.905 > 69 71 Cs 0.00000000000000 0.50000000000000 0.34611131609974 132.905 > 69 72 Cs 0.50000000000000 0.50000000000000 0.34611131609974 132.905 > 69 73 Cs 0.25000000000000 0.25000000000000 0.65388868390026 132.905 > 65 74 Cs 0.75000000000000 0.25000000000000 0.65388868390026 132.905 > 65 75 Cs 0.25000000000000 0.75000000000000 0.65388868390026 132.905 > 65 76 Cs 0.75000000000000 0.75000000000000 0.65388868390026 132.905 > 65 77 Cs 0.00000000000000 0.25000000000000 0.84611131609974 132.905 > 69 78 Cs 0.50000000000000 0.25000000000000 0.84611131609974 132.905 > 69 79 Cs 0.00000000000000 0.75000000000000 0.84611131609974 132.905 > 69 80 Cs 0.50000000000000 0.75000000000000 0.84611131609974 132.905 > 69 81 Cs 0.00000000000000 0.00000000000000 0.65388868390026 132.905 > 65 82 Cs 0.50000000000000 0.00000000000000 0.65388868390026 132.905 > 65 83 Cs 0.00000000000000 0.50000000000000 0.65388868390026 132.905 > 65 84 Cs 0.50000000000000 0.50000000000000 0.65388868390026 132.905 > 65 85 Cs 0.25000000000000 0.00000000000000 0.84611131609974 132.905 > 69 86 Cs 0.75000000000000 0.00000000000000 0.84611131609974 132.905 > 69 87 Cs 0.25000000000000 0.50000000000000 0.84611131609974 132.905 > 69 88 Cs 0.75000000000000 0.50000000000000 0.84611131609974 132.905 > 69 89 Cs 0.00000000000000 0.25000000000000 0.15388868390026 132.905 > 65 90 Cs 0.50000000000000 0.25000000000000 0.15388868390026 132.905 > 65 91 Cs 0.00000000000000 0.75000000000000 0.15388868390026 132.905 > 65 92 Cs 0.50000000000000 0.75000000000000 0.15388868390026 132.905 > 65 93 Cs 0.25000000000000 0.25000000000000 0.34611131609974 132.905 > 69 94 Cs 0.75000000000000 0.25000000000000 0.34611131609974 132.905 > 69 95 Cs 0.25000000000000 0.75000000000000 0.34611131609974 132.905 > 69 96 Cs 0.75000000000000 0.75000000000000 0.34611131609974 132.905 > 69 97 Pt 0.37500000000000 0.12500000000000 0.00000000000000 195.084 > 97 98 Pt 0.87500000000000 0.12500000000000 0.00000000000000 195.084 > 97 99 Pt 0.37500000000000 0.62500000000000 0.00000000000000 195.084 > 97 100 Pt 0.87500000000000 0.62500000000000 0.00000000000000 195.084 > 97 101 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 101 102 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 101 103 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 101 104 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 101 105 Pt 0.37500000000000 0.37500000000000 0.00000000000000 195.084 > 105 106 Pt 0.87500000000000 0.37500000000000 0.00000000000000 195.084 > 105 107 Pt 0.37500000000000 0.87500000000000 0.00000000000000 195.084 > 105 108 Pt 0.87500000000000 0.87500000000000 0.00000000000000 195.084 > 105 109 Pt 0.37500000000000 0.37500000000000 0.50000000000000 195.084 > 97 110 Pt 0.87500000000000 0.37500000000000 0.50000000000000 195.084 > 97 111 Pt 0.37500000000000 0.87500000000000 0.50000000000000 195.084 > 97 112 Pt 0.87500000000000 0.87500000000000 0.50000000000000 195.084 > 97 113 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 101 114 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 101 115 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 101 116 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 101 117 Pt 0.37500000000000 0.12500000000000 0.50000000000000 195.084 > 105 118 Pt 0.87500000000000 0.12500000000000 0.50000000000000 195.084 > 105 119 Pt 0.37500000000000 0.62500000000000 0.50000000000000 195.084 > 105 120 Pt 0.87500000000000 0.62500000000000 0.50000000000000 195.084 > 105 121 Pt 0.12500000000000 0.12500000000000 0.50000000000000 195.084 > 97 122 Pt 0.62500000000000 0.12500000000000 0.50000000000000 195.084 > 97 123 Pt 0.12500000000000 0.62500000000000 0.50000000000000 195.084 > 97 124 Pt 0.62500000000000 0.62500000000000 0.50000000000000 195.084 > 97 125 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 101 126 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 101 127 Pt 0.25000000000000 0.50000000000000 0.50000000000000 195.084 > 101 128 Pt 0.75000000000000 0.50000000000000 0.50000000000000 195.084 > 101 129 Pt 0.12500000000000 0.37500000000000 0.50000000000000 195.084 > 105 130 Pt 0.62500000000000 0.37500000000000 0.50000000000000 195.084 > 105 131 Pt 0.12500000000000 0.87500000000000 0.50000000000000 195.084 > 105 132 Pt 0.62500000000000 0.87500000000000 0.50000000000000 195.084 > 105 133 Pt 0.12500000000000 0.37500000000000 0.00000000000000 195.084 > 97 134 Pt 0.62500000000000 0.37500000000000 0.00000000000000 195.084 > 97 135 Pt 0.12500000000000 0.87500000000000 0.00000000000000 195.084 > 97 136 Pt 0.62500000000000 0.87500000000000 0.00000000000000 195.084 > 97 137 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 101 138 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 101 139 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 101 140 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 101 141 Pt 0.12500000000000 0.12500000000000 0.00000000000000 195.084 > 105 142 Pt 0.62500000000000 0.12500000000000 0.00000000000000 195.084 > 105 143 Pt 0.12500000000000 0.62500000000000 0.00000000000000 195.084 > 105 144 Pt 0.62500000000000 0.62500000000000 0.00000000000000 195.084 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3478054 0.0000000 0.0000000 0.0000000 7.4301283 0.0000000 0.0000000 0.0000000 4.3929846 -------------------------- Born effective charges -------------------------- 1 S -0.8979367 0.0000000 0.0000000 0.0000000 -0.9617495 -0.1091446 0.0000000 -0.0345379 -0.8573720 2 S -0.8979367 0.0000000 0.0000000 0.0000000 -0.9617495 0.1091446 0.0000000 0.0345379 -0.8573720 3 S -0.8979367 0.0000000 0.0000000 0.0000000 -0.9617495 -0.1091446 0.0000000 -0.0345379 -0.8573720 4 S -0.8979367 0.0000000 0.0000000 0.0000000 -0.9617495 0.1091446 0.0000000 0.0345379 -0.8573720 5 Cs 1.4619762 0.0000000 0.0000000 0.0000000 1.6540426 0.0000000 0.0000000 0.0000000 1.3918478 6 Cs 1.4619762 0.0000000 0.0000000 0.0000000 1.6540426 0.0000000 0.0000000 0.0000000 1.3918478 7 Pt 0.7562851 -0.8976610 0.0000000 -1.0045313 -0.3448691 0.0000000 0.0000000 0.0000000 0.2173404 8 Pt -0.8447760 0.0000000 0.0000000 0.0000000 1.2286510 0.0000000 0.0000000 0.0000000 0.2111116 9 Pt 0.7562851 0.8976610 0.0000000 1.0045313 -0.3448691 0.0000000 0.0000000 0.0000000 0.2173404 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 00:23:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:23:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.446308175000000 6.744137040000000 b 3.205407655000000 0.000000000000000 6.744137040000000 c 3.205407655000000 5.446308175000000 0.000000000000000 Atomic positions (fractional): 1 S 0.05985926909843 0.72357013845625 0.27642986154375 32.065 2 S 0.72357013845625 0.05985926909843 0.94014073090157 32.065 3 S 0.94014073090157 0.27642986154375 0.72357013845625 32.065 4 S 0.27642986154375 0.94014073090157 0.05985926909843 32.065 5 Cs 0.65388868390026 0.65388868390026 0.34611131609974 132.905 6 Cs 0.34611131609974 0.34611131609974 0.65388868390026 132.905 7 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 8 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 9 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.821630620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 21.785232700000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.488274080000000 Atomic positions (fractional): 1 S 0.00000000000000 0.33407228266055 0.39171470377734 32.065 > 1 2 S 0.50000000000000 0.33407228266055 0.39171470377734 32.065 > 1 3 S 0.00000000000000 0.83407228266055 0.39171470377734 32.065 > 1 4 S 0.50000000000000 0.83407228266055 0.39171470377734 32.065 > 1 5 S 0.00000000000000 0.16592771733945 0.39171470377734 32.065 > 5 6 S 0.50000000000000 0.16592771733945 0.39171470377734 32.065 > 5 7 S 0.00000000000000 0.66592771733945 0.39171470377734 32.065 > 5 8 S 0.50000000000000 0.66592771733945 0.39171470377734 32.065 > 5 9 S 0.25000000000000 0.16592771733945 0.10828529622266 32.065 > 9 10 S 0.75000000000000 0.16592771733945 0.10828529622266 32.065 > 9 11 S 0.25000000000000 0.66592771733945 0.10828529622266 32.065 > 9 12 S 0.75000000000000 0.66592771733945 0.10828529622266 32.065 > 9 13 S 0.25000000000000 0.33407228266055 0.10828529622266 32.065 > 13 14 S 0.75000000000000 0.33407228266055 0.10828529622266 32.065 > 13 15 S 0.25000000000000 0.83407228266055 0.10828529622266 32.065 > 13 16 S 0.75000000000000 0.83407228266055 0.10828529622266 32.065 > 13 17 S 0.00000000000000 0.08407228266055 0.89171470377734 32.065 > 1 18 S 0.50000000000000 0.08407228266055 0.89171470377734 32.065 > 1 19 S 0.00000000000000 0.58407228266055 0.89171470377734 32.065 > 1 20 S 0.50000000000000 0.58407228266055 0.89171470377734 32.065 > 1 21 S 0.00000000000000 0.41592771733945 0.89171470377734 32.065 > 5 22 S 0.50000000000000 0.41592771733945 0.89171470377734 32.065 > 5 23 S 0.00000000000000 0.91592771733945 0.89171470377734 32.065 > 5 24 S 0.50000000000000 0.91592771733945 0.89171470377734 32.065 > 5 25 S 0.25000000000000 0.41592771733945 0.60828529622266 32.065 > 9 26 S 0.75000000000000 0.41592771733945 0.60828529622266 32.065 > 9 27 S 0.25000000000000 0.91592771733945 0.60828529622266 32.065 > 9 28 S 0.75000000000000 0.91592771733945 0.60828529622266 32.065 > 9 29 S 0.25000000000000 0.08407228266055 0.60828529622266 32.065 > 13 30 S 0.75000000000000 0.08407228266055 0.60828529622266 32.065 > 13 31 S 0.25000000000000 0.58407228266055 0.60828529622266 32.065 > 13 32 S 0.75000000000000 0.58407228266055 0.60828529622266 32.065 > 13 33 S 0.25000000000000 0.33407228266055 0.89171470377734 32.065 > 1 34 S 0.75000000000000 0.33407228266055 0.89171470377734 32.065 > 1 35 S 0.25000000000000 0.83407228266055 0.89171470377734 32.065 > 1 36 S 0.75000000000000 0.83407228266055 0.89171470377734 32.065 > 1 37 S 0.25000000000000 0.16592771733945 0.89171470377734 32.065 > 5 38 S 0.75000000000000 0.16592771733945 0.89171470377734 32.065 > 5 39 S 0.25000000000000 0.66592771733945 0.89171470377734 32.065 > 5 40 S 0.75000000000000 0.66592771733945 0.89171470377734 32.065 > 5 41 S 0.00000000000000 0.16592771733945 0.60828529622266 32.065 > 9 42 S 0.50000000000000 0.16592771733945 0.60828529622266 32.065 > 9 43 S 0.00000000000000 0.66592771733945 0.60828529622266 32.065 > 9 44 S 0.50000000000000 0.66592771733945 0.60828529622266 32.065 > 9 45 S 0.00000000000000 0.33407228266055 0.60828529622266 32.065 > 13 46 S 0.50000000000000 0.33407228266055 0.60828529622266 32.065 > 13 47 S 0.00000000000000 0.83407228266055 0.60828529622266 32.065 > 13 48 S 0.50000000000000 0.83407228266055 0.60828529622266 32.065 > 13 49 S 0.25000000000000 0.08407228266055 0.39171470377734 32.065 > 1 50 S 0.75000000000000 0.08407228266055 0.39171470377734 32.065 > 1 51 S 0.25000000000000 0.58407228266055 0.39171470377734 32.065 > 1 52 S 0.75000000000000 0.58407228266055 0.39171470377734 32.065 > 1 53 S 0.25000000000000 0.41592771733945 0.39171470377734 32.065 > 5 54 S 0.75000000000000 0.41592771733945 0.39171470377734 32.065 > 5 55 S 0.25000000000000 0.91592771733945 0.39171470377734 32.065 > 5 56 S 0.75000000000000 0.91592771733945 0.39171470377734 32.065 > 5 57 S 0.00000000000000 0.41592771733945 0.10828529622266 32.065 > 9 58 S 0.50000000000000 0.41592771733945 0.10828529622266 32.065 > 9 59 S 0.00000000000000 0.91592771733945 0.10828529622266 32.065 > 9 60 S 0.50000000000000 0.91592771733945 0.10828529622266 32.065 > 9 61 S 0.00000000000000 0.08407228266055 0.10828529622266 32.065 > 13 62 S 0.50000000000000 0.08407228266055 0.10828529622266 32.065 > 13 63 S 0.00000000000000 0.58407228266055 0.10828529622266 32.065 > 13 64 S 0.50000000000000 0.58407228266055 0.10828529622266 32.065 > 13 65 Cs 0.25000000000000 0.00000000000000 0.15388868390026 132.905 > 65 66 Cs 0.75000000000000 0.00000000000000 0.15388868390026 132.905 > 65 67 Cs 0.25000000000000 0.50000000000000 0.15388868390026 132.905 > 65 68 Cs 0.75000000000000 0.50000000000000 0.15388868390026 132.905 > 65 69 Cs 0.00000000000000 0.00000000000000 0.34611131609974 132.905 > 69 70 Cs 0.50000000000000 0.00000000000000 0.34611131609974 132.905 > 69 71 Cs 0.00000000000000 0.50000000000000 0.34611131609974 132.905 > 69 72 Cs 0.50000000000000 0.50000000000000 0.34611131609974 132.905 > 69 73 Cs 0.25000000000000 0.25000000000000 0.65388868390026 132.905 > 65 74 Cs 0.75000000000000 0.25000000000000 0.65388868390026 132.905 > 65 75 Cs 0.25000000000000 0.75000000000000 0.65388868390026 132.905 > 65 76 Cs 0.75000000000000 0.75000000000000 0.65388868390026 132.905 > 65 77 Cs 0.00000000000000 0.25000000000000 0.84611131609974 132.905 > 69 78 Cs 0.50000000000000 0.25000000000000 0.84611131609974 132.905 > 69 79 Cs 0.00000000000000 0.75000000000000 0.84611131609974 132.905 > 69 80 Cs 0.50000000000000 0.75000000000000 0.84611131609974 132.905 > 69 81 Cs 0.00000000000000 0.00000000000000 0.65388868390026 132.905 > 65 82 Cs 0.50000000000000 0.00000000000000 0.65388868390026 132.905 > 65 83 Cs 0.00000000000000 0.50000000000000 0.65388868390026 132.905 > 65 84 Cs 0.50000000000000 0.50000000000000 0.65388868390026 132.905 > 65 85 Cs 0.25000000000000 0.00000000000000 0.84611131609974 132.905 > 69 86 Cs 0.75000000000000 0.00000000000000 0.84611131609974 132.905 > 69 87 Cs 0.25000000000000 0.50000000000000 0.84611131609974 132.905 > 69 88 Cs 0.75000000000000 0.50000000000000 0.84611131609974 132.905 > 69 89 Cs 0.00000000000000 0.25000000000000 0.15388868390026 132.905 > 65 90 Cs 0.50000000000000 0.25000000000000 0.15388868390026 132.905 > 65 91 Cs 0.00000000000000 0.75000000000000 0.15388868390026 132.905 > 65 92 Cs 0.50000000000000 0.75000000000000 0.15388868390026 132.905 > 65 93 Cs 0.25000000000000 0.25000000000000 0.34611131609974 132.905 > 69 94 Cs 0.75000000000000 0.25000000000000 0.34611131609974 132.905 > 69 95 Cs 0.25000000000000 0.75000000000000 0.34611131609974 132.905 > 69 96 Cs 0.75000000000000 0.75000000000000 0.34611131609974 132.905 > 69 97 Pt 0.37500000000000 0.12500000000000 0.00000000000000 195.084 > 97 98 Pt 0.87500000000000 0.12500000000000 0.00000000000000 195.084 > 97 99 Pt 0.37500000000000 0.62500000000000 0.00000000000000 195.084 > 97 100 Pt 0.87500000000000 0.62500000000000 0.00000000000000 195.084 > 97 101 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 101 102 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 101 103 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 101 104 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 101 105 Pt 0.37500000000000 0.37500000000000 0.00000000000000 195.084 > 105 106 Pt 0.87500000000000 0.37500000000000 0.00000000000000 195.084 > 105 107 Pt 0.37500000000000 0.87500000000000 0.00000000000000 195.084 > 105 108 Pt 0.87500000000000 0.87500000000000 0.00000000000000 195.084 > 105 109 Pt 0.37500000000000 0.37500000000000 0.50000000000000 195.084 > 97 110 Pt 0.87500000000000 0.37500000000000 0.50000000000000 195.084 > 97 111 Pt 0.37500000000000 0.87500000000000 0.50000000000000 195.084 > 97 112 Pt 0.87500000000000 0.87500000000000 0.50000000000000 195.084 > 97 113 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 101 114 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 101 115 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 101 116 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 101 117 Pt 0.37500000000000 0.12500000000000 0.50000000000000 195.084 > 105 118 Pt 0.87500000000000 0.12500000000000 0.50000000000000 195.084 > 105 119 Pt 0.37500000000000 0.62500000000000 0.50000000000000 195.084 > 105 120 Pt 0.87500000000000 0.62500000000000 0.50000000000000 195.084 > 105 121 Pt 0.12500000000000 0.12500000000000 0.50000000000000 195.084 > 97 122 Pt 0.62500000000000 0.12500000000000 0.50000000000000 195.084 > 97 123 Pt 0.12500000000000 0.62500000000000 0.50000000000000 195.084 > 97 124 Pt 0.62500000000000 0.62500000000000 0.50000000000000 195.084 > 97 125 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 101 126 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 101 127 Pt 0.25000000000000 0.50000000000000 0.50000000000000 195.084 > 101 128 Pt 0.75000000000000 0.50000000000000 0.50000000000000 195.084 > 101 129 Pt 0.12500000000000 0.37500000000000 0.50000000000000 195.084 > 105 130 Pt 0.62500000000000 0.37500000000000 0.50000000000000 195.084 > 105 131 Pt 0.12500000000000 0.87500000000000 0.50000000000000 195.084 > 105 132 Pt 0.62500000000000 0.87500000000000 0.50000000000000 195.084 > 105 133 Pt 0.12500000000000 0.37500000000000 0.00000000000000 195.084 > 97 134 Pt 0.62500000000000 0.37500000000000 0.00000000000000 195.084 > 97 135 Pt 0.12500000000000 0.87500000000000 0.00000000000000 195.084 > 97 136 Pt 0.62500000000000 0.87500000000000 0.00000000000000 195.084 > 97 137 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 101 138 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 101 139 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 101 140 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 101 141 Pt 0.12500000000000 0.12500000000000 0.00000000000000 195.084 > 105 142 Pt 0.62500000000000 0.12500000000000 0.00000000000000 195.084 > 105 143 Pt 0.12500000000000 0.62500000000000 0.00000000000000 195.084 > 105 144 Pt 0.62500000000000 0.62500000000000 0.00000000000000 195.084 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.3478054 0.0000000 0.0000000 0.0000000 7.4301283 0.0000000 0.0000000 0.0000000 4.3929846 -------------------------- Born effective charges -------------------------- 1 S -0.8979367 0.0000000 0.0000000 0.0000000 -0.9617495 -0.1091446 0.0000000 -0.0345379 -0.8573720 2 S -0.8979367 0.0000000 0.0000000 0.0000000 -0.9617495 0.1091446 0.0000000 0.0345379 -0.8573720 3 S -0.8979367 0.0000000 0.0000000 0.0000000 -0.9617495 -0.1091446 0.0000000 -0.0345379 -0.8573720 4 S -0.8979367 0.0000000 0.0000000 0.0000000 -0.9617495 0.1091446 0.0000000 0.0345379 -0.8573720 5 Cs 1.4619762 0.0000000 0.0000000 0.0000000 1.6540426 0.0000000 0.0000000 0.0000000 1.3918478 6 Cs 1.4619762 0.0000000 0.0000000 0.0000000 1.6540426 0.0000000 0.0000000 0.0000000 1.3918478 7 Pt 0.7562851 -0.8976610 0.0000000 -1.0045313 -0.3448691 0.0000000 0.0000000 0.0000000 0.2173404 8 Pt -0.8447760 0.0000000 0.0000000 0.0000000 1.2286510 0.0000000 0.0000000 0.0000000 0.2111116 9 Pt 0.7562851 0.8976610 0.0000000 1.0045313 -0.3448691 0.0000000 0.0000000 0.0000000 0.2173404 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] 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: 0.67, Number of G-points: 307, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.332 ( 0.000 0.000 0.000) 0.000 1.540 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.692 ( 0.000 0.000 0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.123 ( 0.000 0.000 0.000) 0.000 3.434 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.676 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 9.051 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 11.741 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.182 ( -6.142 4.048 8.594) 11.312 0.238 ( -10.577 5.978 2.703) 12.447 0.555 ( -24.751 15.712 1.988) 29.384 1.337 ( -0.508 -0.430 0.685) 0.955 1.497 ( 6.235 -0.319 3.707) 7.260 1.635 ( -3.850 -7.508 -5.207) 9.915 1.741 ( -2.563 -1.157 1.630) 3.250 1.886 ( 4.772 1.829 2.450) 5.667 1.971 ( 1.941 7.128 -1.904) 7.629 2.029 ( -2.744 -0.082 -0.103) 2.747 2.994 ( 4.045 -5.219 0.225) 6.607 3.071 ( 5.456 0.116 -0.067) 5.458 3.408 ( 2.030 -3.868 0.055) 4.368 3.477 ( 3.931 0.378 0.020) 3.950 5.069 ( 7.131 -3.389 0.030) 7.895 7.814 ( 9.925 -5.189 1.524) 11.303 7.971 ( 1.586 -2.738 0.224) 3.172 7.988 ( 3.039 1.110 0.060) 3.236 8.120 ( -2.522 2.933 0.010) 3.869 8.380 ( -16.181 6.043 2.426) 17.442 8.680 ( 1.943 1.777 0.153) 2.638 8.842 ( 0.719 -1.459 -2.218) 2.751 9.043 ( 1.288 1.351 -0.300) 1.891 9.090 ( -4.195 0.222 -0.128) 4.203 9.654 ( -0.762 0.751 -0.071) 1.072 9.766 ( -9.891 5.745 0.247) 11.441 11.714 ( 2.494 -1.508 -0.245) 2.925 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( -10.191 5.883 5.067) 12.812 0.481 ( -10.791 6.495 2.664) 12.874 1.068 ( -20.955 13.262 0.249) 24.800 1.350 ( -0.862 -0.470 2.243) 2.449 1.431 ( 4.685 0.244 3.397) 5.792 1.585 ( -1.051 -3.164 -4.763) 5.814 1.748 ( 1.366 0.474 -2.040) 2.500 1.856 ( 2.079 -1.158 3.746) 4.438 1.991 ( -1.055 3.295 -2.736) 4.410 2.097 ( -5.352 1.251 0.015) 5.497 2.799 ( 11.772 -9.406 0.075) 15.069 2.989 ( 5.393 0.158 0.147) 5.397 3.283 ( 6.902 -7.351 0.074) 10.084 3.417 ( 4.793 0.577 0.102) 4.829 4.875 ( 11.700 -5.487 0.032) 12.922 7.666 ( 5.464 -2.395 0.525) 5.989 7.909 ( 3.238 -2.902 0.304) 4.359 7.957 ( 1.758 0.384 0.069) 1.801 8.191 ( -2.858 2.870 0.037) 4.051 8.665 ( 1.648 0.999 0.184) 1.935 8.704 ( -14.620 6.258 0.167) 15.904 8.806 ( -0.337 -0.770 0.261) 0.880 9.039 ( 0.778 1.766 -0.060) 1.930 9.175 ( -5.688 1.053 -0.137) 5.787 9.673 ( -0.639 0.627 -0.042) 0.896 10.031 ( -14.387 8.454 0.258) 16.689 11.633 ( 4.880 -2.875 -0.554) 5.691 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -14.248 7.484 1.382) 16.153 0.732 ( -10.999 6.851 2.490) 13.195 1.282 ( -0.569 0.894 0.075) 1.062 1.404 ( 0.915 0.695 0.740) 1.367 1.468 ( -2.314 1.740 0.905) 3.033 1.579 ( -2.912 0.865 -0.693) 3.116 1.719 ( -2.390 1.675 -2.349) 3.747 1.847 ( 0.837 -1.338 2.543) 2.993 2.061 ( -7.092 5.866 -1.832) 9.384 2.219 ( -7.886 2.589 -0.012) 8.300 2.479 ( 16.586 -11.036 -0.016) 19.923 2.907 ( 4.776 -0.527 0.235) 4.811 3.078 ( 9.631 -8.535 0.057) 12.868 3.320 ( 7.855 -1.355 0.146) 7.972 4.633 ( 11.882 -5.519 0.012) 13.101 7.604 ( 1.239 -0.509 0.113) 1.344 7.826 ( 4.502 -2.263 0.418) 5.056 7.941 ( 0.636 -0.060 0.078) 0.643 8.256 ( -2.373 2.188 0.020) 3.228 8.651 ( 1.225 0.684 0.121) 1.409 8.755 ( 0.515 -0.800 -0.900) 1.310 9.019 ( -8.471 4.431 0.283) 9.565 9.061 ( -5.131 3.541 0.921) 6.302 9.272 ( -5.094 1.255 -0.099) 5.247 9.675 ( 0.703 -0.495 0.015) 0.860 10.346 ( -14.913 8.806 0.278) 17.321 11.503 ( 6.923 -3.972 -0.811) 8.023 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -9.587 6.168 1.368) 11.482 1.007 ( -14.759 7.034 -0.845) 16.371 1.284 ( 1.508 0.108 2.426) 2.859 1.399 ( 0.163 -0.037 -0.671) 0.692 1.451 ( 1.631 -1.977 -0.494) 2.610 1.546 ( 2.791 0.386 -0.512) 2.863 1.778 ( -1.256 0.266 -0.905) 1.571 1.852 ( -0.582 -0.108 0.793) 0.990 2.105 ( 17.058 -10.507 -0.202) 20.035 2.333 ( -13.821 13.104 0.072) 19.046 2.390 ( -12.157 1.197 -0.106) 12.216 2.840 ( 7.556 -5.511 0.076) 9.352 2.843 ( 5.507 -3.590 0.126) 6.575 3.139 ( 12.247 -3.866 0.081) 12.843 4.436 ( 7.229 -3.350 -0.001) 7.967 7.611 ( -1.871 0.574 -0.257) 1.974 7.739 ( 4.658 -1.679 0.537) 4.980 7.935 ( 0.123 -0.100 0.050) 0.167 8.301 ( -1.328 1.166 -0.000) 1.767 8.642 ( 0.636 0.354 0.054) 0.730 8.738 ( 0.256 -0.440 -0.400) 0.647 9.049 ( 0.040 0.817 0.053) 0.820 9.291 ( -10.070 5.386 0.450) 11.429 9.346 ( -3.025 0.769 -0.049) 3.122 9.637 ( 2.821 -1.960 0.056) 3.436 10.638 ( -11.954 7.000 0.339) 13.857 11.342 ( 7.496 -4.246 -0.769) 8.649 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.000 0.000 0.000) 0.000 1.191 ( -0.000 0.000 0.000) 0.000 1.263 ( 0.000 -0.000 0.000) 0.000 1.393 ( -0.000 0.000 0.000) 0.000 1.410 ( 0.000 -0.000 0.000) 0.000 1.561 ( -0.000 0.000 0.000) 0.000 1.778 ( -0.000 0.000 0.000) 0.000 1.853 ( -0.000 0.000 0.000) 0.000 1.866 ( 0.000 -0.000 0.000) 0.000 2.558 ( -0.000 -0.000 0.000) 0.000 2.576 ( -0.000 0.000 0.000) 0.000 2.657 ( -0.000 -0.000 0.000) 0.000 2.817 ( -0.000 -0.000 0.000) 0.000 2.956 ( 0.000 -0.000 0.000) 0.000 4.363 ( 0.000 -0.000 0.000) 0.000 7.659 ( -0.000 0.000 -0.000) 0.000 7.666 ( 0.000 -0.000 0.000) 0.000 7.934 ( -0.000 0.000 0.000) 0.000 8.317 ( -0.000 0.000 0.000) 0.000 8.638 ( -0.000 -0.000 0.000) 0.000 8.733 ( 0.000 0.000 0.000) 0.000 9.053 ( -0.000 -0.000 0.000) 0.000 9.372 ( -0.000 0.000 0.000) 0.000 9.422 ( -0.000 0.000 0.000) 0.000 9.582 ( 0.000 -0.000 0.000) 0.000 10.790 ( -0.000 0.000 0.000) 0.000 11.237 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.134 ( 0.000 -0.000 8.733) 8.733 0.142 ( 0.000 -0.000 9.397) 9.397 0.264 ( 0.000 -0.000 17.359) 17.359 1.340 ( 0.000 -0.000 0.993) 0.993 1.514 ( -0.000 0.000 -4.349) 4.349 1.719 ( 0.000 -0.000 2.824) 2.824 1.760 ( -0.000 0.000 -1.135) 1.135 1.883 ( -0.000 0.000 -3.459) 3.459 1.991 ( 0.000 -0.000 0.928) 0.928 2.004 ( 0.000 -0.000 0.120) 0.120 3.046 ( 0.000 -0.000 0.419) 0.419 3.121 ( -0.000 0.000 -0.246) 0.246 3.435 ( 0.000 -0.000 0.112) 0.112 3.512 ( 0.000 -0.000 0.042) 0.042 5.143 ( 0.000 -0.000 0.069) 0.069 7.998 ( -0.000 0.000 -0.177) 0.177 8.009 ( 0.000 -0.000 0.774) 0.774 8.073 ( -0.000 0.000 -0.066) 0.066 8.076 ( -0.000 0.000 -0.177) 0.177 8.265 ( -0.000 0.000 -0.301) 0.301 8.680 ( 0.000 -0.000 0.468) 0.468 8.725 ( 0.000 -0.000 0.292) 0.292 9.051 ( 0.000 -0.000 0.039) 0.039 9.052 ( -0.000 0.000 -0.312) 0.312 9.639 ( -0.000 0.000 -0.368) 0.368 9.661 ( 0.000 -0.000 0.907) 0.907 11.739 ( -0.000 0.000 -0.238) 0.238 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( -8.243 4.912 5.705) 11.164 0.343 ( -3.078 2.009 11.327) 11.908 0.613 ( -21.110 12.980 5.624) 25.411 1.354 ( -0.346 0.191 1.464) 1.517 1.515 ( -2.685 -0.305 -4.961) 5.649 1.597 ( 7.732 -4.676 3.282) 9.613 1.747 ( 0.439 0.516 -0.685) 0.963 1.910 ( -1.657 1.949 -2.613) 3.657 1.943 ( 3.591 0.407 1.152) 3.794 2.029 ( -2.614 0.270 0.076) 2.629 2.999 ( 4.307 -5.430 0.471) 6.947 3.069 ( 5.167 0.202 -0.176) 5.174 3.409 ( 2.022 -3.872 0.150) 4.370 3.478 ( 3.885 0.377 0.062) 3.904 5.070 ( 7.141 -3.407 0.079) 7.912 7.839 ( 11.324 -5.966 1.436) 12.880 7.976 ( 1.853 -2.139 0.332) 2.849 7.990 ( 2.627 0.016 0.240) 2.638 8.121 ( -2.380 3.296 0.065) 4.066 8.427 ( -13.795 4.719 3.142) 14.915 8.684 ( 1.825 1.547 0.378) 2.422 8.797 ( -2.388 0.148 -3.044) 3.872 9.039 ( 0.902 0.513 -0.056) 1.039 9.086 ( -3.897 0.856 -0.278) 4.000 9.652 ( -0.858 0.818 -0.167) 1.197 9.773 ( -9.648 5.590 0.696) 11.172 11.708 ( 2.641 -1.583 -0.481) 3.116 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -6.090 2.929 7.239) 9.903 0.534 ( -9.900 5.771 4.151) 12.188 1.078 ( -18.035 11.191 1.066) 21.252 1.381 ( -1.490 1.241 1.716) 2.589 1.491 ( 2.869 -2.652 0.093) 3.908 1.514 ( -0.136 0.679 -0.288) 0.750 1.718 ( 2.517 0.432 -2.148) 3.337 1.903 ( 1.774 -2.028 1.873) 3.282 1.940 ( -2.576 2.627 -3.367) 4.988 2.098 ( -5.133 1.541 0.075) 5.360 2.800 ( 11.919 -9.419 0.077) 15.192 2.991 ( 5.067 -0.175 0.217) 5.075 3.285 ( 6.947 -7.356 0.119) 10.119 3.419 ( 4.714 0.525 0.169) 4.747 4.876 ( 11.706 -5.534 0.052) 12.949 7.675 ( 6.030 -2.511 0.619) 6.561 7.914 ( 3.330 -2.741 0.411) 4.332 7.959 ( 1.385 -0.304 0.163) 1.427 8.192 ( -2.690 3.082 0.113) 4.093 8.668 ( 1.626 0.779 0.260) 1.821 8.708 ( -9.947 4.167 0.364) 10.791 8.808 ( -4.857 1.263 -0.078) 5.019 9.040 ( 0.113 1.014 0.095) 1.025 9.172 ( -5.484 1.553 -0.173) 5.702 9.672 ( -0.690 0.671 -0.082) 0.966 10.036 ( -14.244 8.387 0.456) 16.536 11.622 ( 5.018 -2.921 -0.810) 5.863 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -11.842 5.006 2.032) 13.017 0.775 ( -10.309 6.077 3.149) 12.375 1.285 ( -2.577 1.912 0.323) 3.225 1.411 ( 1.054 0.137 -0.264) 1.095 1.468 ( 0.339 0.547 -0.363) 0.739 1.581 ( -0.949 0.869 0.648) 1.440 1.690 ( -4.042 2.175 -1.295) 4.769 1.875 ( 1.081 -1.263 1.079) 1.982 2.035 ( -9.285 6.099 -1.427) 11.200 2.219 ( -7.647 2.890 0.010) 8.175 2.478 ( 16.570 -11.236 -0.059) 20.021 2.911 ( 4.559 -0.954 0.242) 4.664 3.079 ( 9.660 -8.559 0.072) 12.907 3.323 ( 7.847 -1.436 0.196) 7.980 4.633 ( 11.857 -5.604 0.017) 13.115 7.606 ( 1.564 -0.644 0.083) 1.693 7.833 ( 4.353 -2.398 0.500) 4.995 7.943 ( 0.473 -0.422 0.124) 0.646 8.257 ( -2.235 2.324 0.070) 3.225 8.653 ( 1.143 0.385 0.119) 1.212 8.740 ( 0.135 -0.362 -0.968) 1.043 9.027 ( -6.027 2.824 0.798) 6.704 9.071 ( -7.492 3.896 0.420) 8.455 9.270 ( -4.865 1.733 -0.062) 5.165 9.675 ( 0.667 -0.431 -0.009) 0.794 10.351 ( -14.902 8.787 0.363) 17.303 11.489 ( 6.944 -3.934 -0.963) 8.039 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -12.182 5.490 -0.007) 13.362 1.004 ( -10.359 5.094 0.963) 11.584 1.311 ( 0.444 0.318 0.713) 0.899 1.398 ( 0.724 -0.065 1.012) 1.246 1.446 ( 1.587 -2.559 -0.218) 3.019 1.538 ( 1.858 1.737 -0.658) 2.627 1.757 ( -1.875 0.500 -1.657) 2.552 1.865 ( 0.224 -0.530 0.809) 0.992 2.102 ( 17.066 -10.857 -0.239) 20.228 2.335 ( -14.919 12.316 0.281) 19.348 2.388 ( -11.462 1.947 -0.085) 11.627 2.841 ( 9.157 -7.457 0.066) 11.809 2.845 ( 3.743 -2.164 0.081) 4.324 3.140 ( 12.339 -3.930 0.117) 12.950 4.436 ( 7.164 -3.469 0.002) 7.960 7.607 ( -1.724 0.349 -0.285) 1.781 7.747 ( 4.484 -1.952 0.529) 4.919 7.936 ( 0.069 -0.290 0.069) 0.306 8.302 ( -1.228 1.286 0.033) 1.778 8.642 ( 0.487 0.015 0.030) 0.489 8.731 ( 0.036 -0.037 -0.508) 0.510 9.052 ( -0.377 -0.163 0.283) 0.498 9.296 ( -9.735 5.253 0.279) 11.065 9.345 ( -2.761 1.249 0.004) 3.030 9.637 ( 2.858 -1.895 0.014) 3.429 10.644 ( -11.923 6.975 0.345) 13.818 11.330 ( 7.240 -4.061 -0.750) 8.335 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 1.534 -1.619 0.348) 2.257 1.171 ( -4.643 1.340 -2.032) 5.243 1.278 ( 3.752 -1.821 1.262) 4.357 1.393 ( -0.980 0.889 0.030) 1.323 1.426 ( 0.294 -0.447 2.085) 2.153 1.549 ( 1.000 -0.691 -1.603) 2.012 1.775 ( -1.324 0.604 -0.321) 1.490 1.853 ( -0.793 0.483 -0.016) 0.929 1.868 ( 0.526 -0.430 0.164) 0.699 2.557 ( 0.217 -2.162 -0.052) 2.174 2.577 ( -0.462 1.813 0.093) 1.874 2.657 ( 0.400 0.007 0.002) 0.400 2.817 ( -0.118 -0.448 -0.053) 0.466 2.956 ( 0.028 0.036 0.065) 0.080 4.363 ( -0.077 -0.127 0.003) 0.149 7.654 ( -3.385 0.916 -0.370) 3.526 7.670 ( 3.301 -1.468 0.345) 3.629 7.934 ( -0.013 -0.118 0.014) 0.119 8.318 ( 0.077 0.116 0.023) 0.142 8.638 ( -0.158 -0.328 -0.019) 0.364 8.731 ( -0.196 0.380 -0.120) 0.444 9.054 ( -0.379 -0.926 0.166) 1.014 9.373 ( 0.249 0.438 0.061) 0.508 9.421 ( 0.263 -0.069 -0.073) 0.281 9.581 ( 0.079 0.067 -0.053) 0.116 10.790 ( 0.456 -0.242 -0.012) 0.517 11.237 ( -0.768 0.450 0.027) 0.891 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 9.503 -6.848 -0.818) 11.742 1.019 ( 16.031 -8.589 0.624) 18.198 1.252 ( -1.737 0.350 -1.608) 2.393 1.408 ( 0.630 -0.633 0.394) 0.977 1.460 ( -2.360 1.888 0.557) 3.073 1.553 ( -3.462 0.807 0.363) 3.573 1.781 ( 0.017 0.338 -0.276) 0.437 1.846 ( 2.073 -0.854 -0.058) 2.243 2.108 ( -17.112 10.255 0.113) 19.950 2.333 ( 12.802 -13.553 0.055) 18.644 2.391 ( 12.691 -0.631 0.076) 12.707 2.839 ( -4.609 1.938 -0.067) 5.001 2.842 ( -8.591 6.738 -0.085) 10.918 3.138 ( -12.152 3.812 -0.033) 12.736 4.436 ( -7.281 3.253 0.002) 7.975 7.614 ( 1.977 -0.800 0.143) 2.138 7.732 ( -4.790 1.478 -0.335) 5.024 7.935 ( -0.157 -0.030 -0.021) 0.161 8.302 ( 1.405 -1.065 0.017) 1.763 8.641 ( -0.754 -0.628 -0.045) 0.983 8.742 ( -0.490 0.775 0.179) 0.934 9.050 ( -0.443 -1.567 0.119) 1.633 9.284 ( 10.547 -5.519 -0.383) 11.910 9.346 ( 3.184 -0.422 0.051) 3.212 9.636 ( -2.806 2.013 -0.054) 3.454 10.634 ( 11.971 -7.016 -0.206) 13.877 11.351 ( -7.704 4.396 0.484) 8.883 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 16.038 -9.135 -0.351) 18.460 0.704 ( 11.076 -7.413 -1.066) 13.371 1.282 ( -2.030 0.886 0.090) 2.216 1.396 ( -0.122 -0.913 -0.262) 0.958 1.450 ( 7.779 -5.223 -0.999) 9.423 1.592 ( 0.499 0.821 0.681) 1.178 1.758 ( 1.314 -0.975 2.831) 3.270 1.804 ( 0.028 0.591 -2.998) 3.055 2.082 ( 5.704 -5.568 0.800) 8.011 2.219 ( 8.048 -2.368 0.009) 8.389 2.479 ( -16.598 10.925 -0.003) 19.871 2.905 ( -4.912 0.271 -0.100) 4.921 3.077 ( -9.613 8.517 -0.021) 12.844 3.319 ( -7.853 1.304 -0.053) 7.961 4.633 ( -11.896 5.466 -0.004) 13.092 7.603 ( -1.034 0.390 -0.055) 1.106 7.822 ( -4.589 2.165 -0.163) 5.077 7.940 ( -0.720 -0.126 -0.025) 0.731 8.256 ( 2.455 -2.098 0.001) 3.229 8.649 ( -1.270 -0.870 -0.052) 1.540 8.765 ( -1.015 1.209 0.376) 1.623 9.019 ( 13.151 -6.404 0.189) 14.629 9.047 ( 0.814 -2.482 -0.706) 2.706 9.273 ( 5.221 -0.978 0.047) 5.313 9.675 ( -0.730 0.531 -0.011) 0.903 10.343 ( 14.913 -8.815 -0.102) 17.324 11.512 ( -6.924 4.003 0.318) 8.004 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 12.416 -7.558 -0.000) 14.536 0.461 ( 11.168 -6.878 -0.000) 13.116 1.068 ( 22.763 -14.243 -0.000) 26.852 1.328 ( -0.662 1.752 0.000) 1.872 1.407 ( -3.652 -1.226 -0.000) 3.852 1.625 ( 0.108 4.563 0.000) 4.564 1.775 ( 2.096 0.609 0.000) 2.183 1.813 ( -4.730 -0.987 0.000) 4.832 2.013 ( 0.411 -3.548 -0.000) 3.571 2.097 ( 5.479 -1.025 -0.000) 5.574 2.798 ( -11.709 9.397 0.000) 15.014 2.987 ( -5.519 -0.277 0.000) 5.526 3.283 ( -6.885 7.349 0.000) 10.070 3.416 ( -4.822 -0.597 0.000) 4.858 4.875 ( -11.697 5.469 0.000) 12.912 7.661 ( -5.163 2.284 0.000) 5.646 7.906 ( -3.211 2.901 0.000) 4.327 7.957 ( -1.873 -0.580 -0.000) 1.960 8.191 ( 2.920 -2.785 -0.000) 4.036 8.663 ( -1.658 -1.079 -0.000) 1.979 8.703 ( 16.976 -7.313 -0.000) 18.484 8.803 ( -1.844 1.733 0.000) 2.531 9.040 ( -1.126 -2.011 -0.000) 2.305 9.176 ( 5.768 -0.856 -0.000) 5.831 9.673 ( 0.618 -0.609 -0.000) 0.867 10.029 ( 14.434 -8.478 -0.000) 16.740 11.637 ( -4.842 2.866 0.000) 5.626 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 0.000 -0.000 7.453) 7.453 0.276 ( 0.000 -0.000 8.624) 8.624 0.508 ( 0.000 -0.000 15.432) 15.432 1.361 ( 0.000 -0.000 1.848) 1.848 1.440 ( -0.000 0.000 -5.404) 5.404 1.736 ( -0.000 0.000 -2.078) 2.078 1.761 ( 0.000 -0.000 2.685) 2.685 1.824 ( -0.000 0.000 -4.270) 4.270 1.998 ( -0.000 0.000 -0.066) 0.066 2.006 ( 0.000 -0.000 0.205) 0.205 3.054 ( 0.000 -0.000 0.648) 0.648 3.116 ( -0.000 0.000 -0.399) 0.399 3.437 ( 0.000 -0.000 0.181) 0.181 3.513 ( 0.000 -0.000 0.066) 0.066 5.144 ( 0.000 -0.000 0.112) 0.112 7.995 ( -0.000 0.000 -0.286) 0.286 8.024 ( 0.000 -0.000 1.268) 1.268 8.072 ( -0.000 0.000 -0.103) 0.103 8.072 ( -0.000 0.000 -0.261) 0.261 8.259 ( -0.000 0.000 -0.487) 0.487 8.689 ( 0.000 -0.000 0.709) 0.709 8.731 ( 0.000 -0.000 0.468) 0.468 9.046 ( -0.000 0.000 -0.521) 0.521 9.052 ( 0.000 -0.000 0.062) 0.062 9.635 ( -0.000 0.000 -0.142) 0.142 9.676 ( 0.000 -0.000 1.035) 1.035 11.734 ( -0.000 0.000 -0.386) 0.386 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -6.292 4.566 5.725) 9.655 0.498 ( -5.051 3.166 9.378) 11.112 0.710 ( -14.178 7.680 6.867) 17.526 1.378 ( -0.052 0.125 1.426) 1.432 1.430 ( -2.827 0.375 -5.148) 5.885 1.648 ( 6.455 -3.262 2.571) 7.676 1.729 ( 2.522 2.166 -1.604) 3.691 1.852 ( -2.197 1.862 -3.889) 4.839 1.965 ( 1.365 -2.406 0.891) 2.906 2.031 ( -2.485 0.422 0.184) 2.527 3.006 ( 4.717 -5.695 0.443) 7.408 3.066 ( 4.617 0.264 -0.167) 4.627 3.412 ( 2.026 -3.901 0.188) 4.399 3.479 ( 3.828 0.381 0.082) 3.848 5.071 ( 7.156 -3.434 0.098) 7.938 7.855 ( 11.322 -5.548 0.670) 12.626 7.978 ( 2.807 0.139 -0.020) 2.811 7.996 ( 1.246 -3.114 0.597) 3.407 8.122 ( -2.133 3.862 0.194) 4.416 8.463 ( -14.192 4.831 1.600) 15.077 8.690 ( 1.666 1.145 0.418) 2.064 8.762 ( -2.133 0.141 -1.720) 2.743 9.040 ( 0.261 -0.478 0.118) 0.557 9.082 ( -3.537 1.596 -0.252) 3.889 9.649 ( -0.918 0.856 -0.155) 1.264 9.785 ( -9.308 5.452 0.859) 10.821 11.700 ( 2.848 -1.683 -0.519) 3.349 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -8.821 5.373 4.111) 11.117 0.608 ( -2.521 0.422 7.003) 7.455 1.093 ( -16.283 9.184 0.686) 18.707 1.380 ( -1.357 -0.491 -2.832) 3.179 1.450 ( -0.851 2.081 0.005) 2.248 1.581 ( 2.566 -0.331 4.928) 5.566 1.684 ( 2.708 0.240 -2.404) 3.630 1.867 ( -1.613 2.026 -4.229) 4.959 1.942 ( -0.433 -1.884 1.304) 2.332 2.099 ( -4.943 1.703 0.115) 5.229 2.801 ( 12.068 -9.416 0.029) 15.307 2.995 ( 4.686 -0.629 0.199) 4.732 3.287 ( 7.001 -7.360 0.117) 10.159 3.422 ( 4.611 0.462 0.174) 4.638 4.877 ( 11.714 -5.592 0.053) 12.981 7.683 ( 6.497 -2.453 0.438) 6.958 7.920 ( 3.464 -2.221 0.301) 4.126 7.962 ( 0.830 -1.486 0.245) 1.720 8.194 ( -2.471 3.319 0.184) 4.142 8.672 ( 1.608 0.489 0.215) 1.695 8.714 ( -5.507 2.199 0.519) 5.953 8.802 ( -9.377 3.340 -0.590) 9.972 9.042 ( -0.494 -0.024 0.241) 0.550 9.170 ( -5.227 2.165 -0.098) 5.658 9.671 ( -0.737 0.723 -0.096) 1.037 10.044 ( -14.051 8.307 0.490) 16.330 11.610 ( 5.220 -2.995 -0.744) 6.064 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -9.312 2.550 1.791) 9.819 0.820 ( -9.643 5.646 2.827) 11.526 1.290 ( -2.799 1.354 0.392) 3.134 1.388 ( -2.651 0.712 -2.446) 3.677 1.477 ( 1.421 2.119 1.477) 2.948 1.582 ( 3.722 -1.045 -0.792) 3.946 1.685 ( -4.497 1.586 0.505) 4.795 1.877 ( -0.160 0.385 -0.556) 0.695 2.023 ( -10.624 5.449 -0.178) 11.941 2.219 ( -7.410 3.173 0.032) 8.061 2.477 ( 16.554 -11.454 -0.073) 20.130 2.914 ( 4.348 -1.394 0.158) 4.569 3.080 ( 9.690 -8.579 0.059) 12.942 3.326 ( 7.828 -1.518 0.171) 7.976 4.633 ( 11.832 -5.689 0.015) 13.129 7.607 ( 1.883 -0.717 0.027) 2.015 7.840 ( 4.197 -2.493 0.388) 4.897 7.944 ( 0.280 -0.860 0.123) 0.913 8.258 ( -2.088 2.446 0.095) 3.218 8.654 ( 1.049 0.085 0.071) 1.055 8.728 ( 0.077 -0.103 -0.690) 0.702 9.040 ( -4.638 1.477 0.911) 4.952 9.073 ( -9.190 4.178 -0.125) 10.096 9.270 ( -4.614 2.236 0.010) 5.128 9.675 ( 0.644 -0.362 -0.030) 0.740 10.356 ( -14.881 8.763 0.308) 17.272 11.476 ( 6.985 -3.905 -0.753) 8.037 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -12.984 4.321 -0.578) 13.697 1.027 ( -7.917 4.316 1.526) 9.145 1.305 ( -0.599 -0.364 -0.991) 1.214 1.428 ( 0.418 1.008 2.480) 2.710 1.444 ( 2.137 -3.179 -0.058) 3.831 1.526 ( 1.156 2.698 -0.975) 3.093 1.734 ( -1.870 0.238 -1.281) 2.279 1.874 ( 0.287 -0.358 0.375) 0.593 2.099 ( 17.129 -11.166 -0.172) 20.448 2.340 ( -15.717 11.402 0.273) 19.419 2.387 ( -10.808 2.684 -0.038) 11.137 2.842 ( 9.897 -8.366 0.041) 12.959 2.846 ( 2.877 -1.672 0.023) 3.328 3.142 ( 12.391 -3.981 0.090) 13.015 4.436 ( 7.111 -3.566 0.003) 7.955 7.603 ( -1.592 0.205 -0.189) 1.616 7.753 ( 4.337 -2.190 0.323) 4.869 7.937 ( 0.017 -0.464 0.051) 0.467 8.302 ( -1.144 1.377 0.037) 1.791 8.642 ( 0.366 -0.259 0.006) 0.448 8.724 ( -0.087 0.256 -0.354) 0.446 9.056 ( -0.703 -0.963 0.260) 1.220 9.299 ( -9.605 5.162 0.098) 10.905 9.346 ( -2.502 1.673 0.037) 3.010 9.637 ( 2.903 -1.840 -0.014) 3.437 10.648 ( -11.891 6.951 0.217) 13.775 11.321 ( 7.035 -3.912 -0.454) 8.062 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 2.809 -2.908 0.338) 4.058 1.146 ( -5.401 1.620 -1.056) 5.737 1.290 ( 2.796 -1.811 0.383) 3.353 1.394 ( -1.626 1.221 0.034) 2.034 1.467 ( 2.037 -1.169 3.194) 3.965 1.515 ( 0.917 -0.642 -2.846) 3.058 1.771 ( -2.130 0.742 -0.180) 2.262 1.852 ( -0.857 0.524 -0.003) 1.004 1.870 ( 0.428 -0.316 0.084) 0.539 2.557 ( 0.291 -3.192 -0.028) 3.205 2.578 ( -0.690 2.626 0.054) 2.715 2.657 ( 0.648 0.012 0.001) 0.648 2.816 ( -0.190 -0.720 -0.033) 0.746 2.957 ( 0.045 0.055 0.040) 0.081 4.363 ( -0.124 -0.206 0.002) 0.241 7.650 ( -3.647 0.857 -0.154) 3.749 7.674 ( 3.510 -1.752 0.139) 3.926 7.935 ( -0.021 -0.188 0.008) 0.190 8.318 ( 0.125 0.188 0.014) 0.226 8.638 ( -0.255 -0.529 -0.012) 0.587 8.730 ( -0.313 0.599 -0.073) 0.680 9.057 ( -0.626 -1.483 0.102) 1.613 9.374 ( 0.402 0.721 0.039) 0.827 9.420 ( 0.438 -0.127 -0.046) 0.459 9.581 ( 0.125 0.111 -0.033) 0.170 10.790 ( 0.737 -0.391 -0.008) 0.834 11.237 ( -1.242 0.728 0.017) 1.440 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 9.582 -7.142 -0.000) 11.951 1.023 ( 16.297 -9.159 -0.000) 18.695 1.240 ( -1.687 0.498 0.000) 1.759 1.411 ( 1.045 -0.993 -0.000) 1.441 1.465 ( -2.805 2.012 0.000) 3.452 1.556 ( -3.675 1.284 0.000) 3.893 1.778 ( -0.410 0.448 0.000) 0.607 1.846 ( 2.619 -1.187 -0.000) 2.876 2.108 ( -17.148 10.167 0.000) 19.936 2.333 ( 12.380 -13.694 -0.000) 18.461 2.392 ( 12.897 -0.414 -0.000) 12.904 2.839 ( -3.046 0.004 0.000) 3.046 2.841 ( -10.207 8.508 0.000) 13.288 3.138 ( -12.110 3.791 0.000) 12.690 4.436 ( -7.301 3.215 0.000) 7.978 7.615 ( 2.013 -0.898 -0.000) 2.205 7.729 ( -4.838 1.406 0.000) 5.038 7.935 ( -0.167 -0.074 -0.000) 0.182 8.302 ( 1.434 -1.025 -0.000) 1.763 8.640 ( -0.799 -0.732 -0.000) 1.084 8.744 ( -0.591 0.900 0.000) 1.077 9.051 ( -0.631 -1.835 -0.000) 1.940 9.281 ( 10.794 -5.581 -0.000) 12.151 9.347 ( 3.233 -0.299 -0.000) 3.247 9.635 ( -2.804 2.033 0.000) 3.463 10.633 ( 11.976 -7.020 -0.000) 13.882 11.355 ( -7.784 4.453 0.000) 8.968 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 0.000 -0.000 5.435) 5.435 0.393 ( 0.000 -0.000 7.035) 7.035 0.714 ( 0.000 -0.000 11.968) 11.968 1.361 ( -0.000 0.000 -5.015) 5.015 1.393 ( 0.000 -0.000 2.327) 2.327 1.701 ( -0.000 0.000 -2.557) 2.557 1.763 ( -0.000 0.000 -3.786) 3.786 1.795 ( 0.000 -0.000 1.871) 1.871 1.990 ( -0.000 0.000 -0.935) 0.935 2.010 ( 0.000 -0.000 0.219) 0.219 3.064 ( 0.000 -0.000 0.615) 0.615 3.110 ( -0.000 0.000 -0.400) 0.400 3.440 ( 0.000 -0.000 0.180) 0.180 3.514 ( 0.000 -0.000 0.063) 0.063 5.146 ( 0.000 -0.000 0.112) 0.112 7.990 ( -0.000 0.000 -0.284) 0.284 8.044 ( 0.000 -0.000 1.289) 1.289 8.068 ( -0.000 0.000 -0.233) 0.233 8.070 ( -0.000 0.000 -0.098) 0.098 8.251 ( -0.000 0.000 -0.484) 0.484 8.699 ( 0.000 -0.000 0.654) 0.654 8.738 ( 0.000 -0.000 0.464) 0.464 9.038 ( -0.000 0.000 -0.544) 0.544 9.053 ( 0.000 -0.000 0.061) 0.061 9.634 ( 0.000 -0.000 0.014) 0.014 9.691 ( 0.000 -0.000 0.905) 0.905 11.729 ( -0.000 0.000 -0.386) 0.386 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -5.143 4.960 4.050) 8.213 0.620 ( -9.886 5.249 7.085) 13.246 0.798 ( -5.531 2.148 4.436) 7.409 1.346 ( -1.974 -1.026 -3.800) 4.404 1.421 ( -0.396 2.288 2.068) 3.110 1.666 ( 1.781 -1.620 -0.235) 2.419 1.705 ( 3.872 1.823 -1.465) 4.524 1.809 ( -0.288 0.533 -1.801) 1.900 1.969 ( 0.096 -2.044 -0.155) 2.052 2.034 ( -2.435 0.508 0.151) 2.492 3.012 ( 5.227 -5.835 0.249) 7.838 3.064 ( 3.959 0.184 -0.066) 3.964 3.414 ( 2.035 -3.937 0.152) 4.434 3.480 ( 3.771 0.391 0.067) 3.791 5.072 ( 7.172 -3.462 0.080) 7.964 7.861 ( 11.195 -4.975 0.281) 12.254 7.977 ( 3.153 1.111 -0.123) 3.345 8.005 ( 0.438 -4.896 0.514) 4.942 8.126 ( -1.854 4.342 0.268) 4.729 8.477 ( -15.486 5.308 0.532) 16.379 8.695 ( 1.552 0.686 0.295) 1.723 8.745 ( -0.625 -0.300 -0.693) 0.981 9.042 ( -0.701 -1.339 0.032) 1.512 9.080 ( -3.072 2.323 -0.092) 3.853 9.648 ( -0.891 0.846 -0.090) 1.232 9.797 ( -9.047 5.382 0.683) 10.549 11.693 ( 3.006 -1.754 -0.402) 3.504 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -8.341 5.460 2.515) 10.281 0.698 ( 0.773 -1.668 4.791) 5.132 1.094 ( -16.540 8.568 -0.470) 18.633 1.331 ( -0.931 -1.709 -2.667) 3.301 1.471 ( 0.078 3.933 1.674) 4.275 1.646 ( 2.158 -0.484 2.939) 3.678 1.651 ( 1.109 0.137 -1.135) 1.593 1.809 ( -1.664 2.217 -3.443) 4.420 1.955 ( -0.716 -1.854 0.488) 2.047 2.101 ( -4.813 1.793 0.086) 5.137 2.801 ( 12.162 -9.404 -0.003) 15.374 2.997 ( 4.400 -1.024 0.117) 4.519 3.288 ( 7.043 -7.362 0.072) 10.189 3.424 ( 4.523 0.412 0.110) 4.543 4.877 ( 11.720 -5.639 0.033) 13.006 7.688 ( 6.787 -2.319 0.208) 7.176 7.923 ( 3.547 -1.630 0.131) 3.906 7.965 ( 0.369 -2.612 0.193) 2.646 8.197 ( -2.285 3.482 0.152) 4.168 8.674 ( 1.599 0.239 0.112) 1.621 8.722 ( -1.645 0.518 0.469) 1.788 8.792 ( -13.340 5.152 -0.639) 14.315 9.046 ( -0.968 -0.874 0.180) 1.316 9.170 ( -5.009 2.659 -0.013) 5.671 9.669 ( -0.758 0.762 -0.065) 1.077 10.050 ( -13.892 8.245 0.316) 16.158 11.601 ( 5.387 -3.056 -0.438) 6.209 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -7.619 1.016 0.719) 7.720 0.852 ( -9.298 5.580 1.181) 10.908 1.296 ( -0.864 -0.769 0.303) 1.196 1.356 ( -6.986 3.306 -1.361) 7.848 1.500 ( 1.722 3.399 1.224) 4.002 1.564 ( 4.713 -2.189 -1.096) 5.311 1.696 ( -2.258 -0.056 0.550) 2.325 1.867 ( -2.018 2.156 -0.524) 2.999 2.024 ( -10.822 4.728 0.131) 11.810 2.219 ( -7.257 3.355 0.019) 7.995 2.476 ( 16.542 -11.597 -0.033) 20.202 2.916 ( 4.221 -1.675 0.052) 4.542 3.081 ( 9.708 -8.590 0.023) 12.962 3.327 ( 7.811 -1.568 0.068) 7.967 4.633 ( 11.817 -5.741 0.006) 13.138 7.607 ( 2.079 -0.737 0.002) 2.206 7.844 ( 4.099 -2.528 0.144) 4.818 7.946 ( 0.148 -1.169 0.052) 1.180 8.260 ( -1.993 2.514 0.046) 3.209 8.655 ( 0.986 -0.102 0.021) 0.991 8.721 ( 0.139 -0.001 -0.245) 0.282 9.052 ( -2.374 -0.243 0.579) 2.455 9.069 ( -11.772 5.308 -0.322) 12.917 9.270 ( -4.452 2.552 0.020) 5.132 9.674 ( 0.638 -0.316 -0.017) 0.712 10.360 ( -14.864 8.746 0.121) 17.247 11.468 ( 7.017 -3.890 -0.282) 8.028 ======================= Grid point 38 (27/171) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -12.750 3.825 0.000) 13.312 1.039 ( -7.486 4.129 0.000) 8.550 1.296 ( -0.916 -0.683 -0.000) 1.143 1.444 ( 0.961 -2.834 -0.000) 2.992 1.452 ( 1.418 0.882 0.000) 1.670 1.515 ( 0.995 3.076 0.000) 3.233 1.724 ( -1.789 0.040 0.000) 1.790 1.877 ( 0.224 -0.212 -0.000) 0.308 2.097 ( 17.166 -11.289 -0.000) 20.546 2.342 ( -16.017 10.961 0.000) 19.408 2.387 ( -10.519 3.025 0.000) 10.946 2.843 ( 10.171 -8.694 -0.000) 13.380 2.846 ( 2.557 -1.503 -0.000) 2.966 3.142 ( 12.405 -4.000 -0.000) 13.034 4.436 ( 7.090 -3.602 -0.000) 7.953 7.602 ( -1.539 0.158 0.000) 1.548 7.756 ( 4.279 -2.284 -0.000) 4.850 7.938 ( -0.005 -0.534 -0.000) 0.534 8.303 ( -1.111 1.411 0.000) 1.796 8.642 ( 0.319 -0.364 -0.000) 0.484 8.721 ( -0.122 0.358 0.000) 0.378 9.059 ( -0.830 -1.266 -0.000) 1.514 9.299 ( -9.578 5.131 0.000) 10.866 9.346 ( -2.398 1.841 0.000) 3.023 9.637 ( 2.925 -1.819 -0.000) 3.444 10.650 ( -11.877 6.941 0.000) 13.756 11.317 ( 6.957 -3.854 -0.000) 7.953 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 0.000 -0.000 2.864) 2.864 0.478 ( 0.000 -0.000 4.176) 4.176 0.854 ( 0.000 -0.000 6.717) 6.717 1.298 ( -0.000 0.000 -3.194) 3.194 1.426 ( 0.000 -0.000 1.911) 1.911 1.665 ( -0.000 0.000 -2.053) 2.053 1.717 ( -0.000 0.000 -2.227) 2.227 1.816 ( 0.000 -0.000 0.937) 0.937 1.975 ( -0.000 0.000 -0.951) 0.951 2.012 ( 0.000 -0.000 0.143) 0.143 3.071 ( 0.000 -0.000 0.365) 0.365 3.105 ( -0.000 0.000 -0.248) 0.248 3.442 ( 0.000 -0.000 0.111) 0.111 3.515 ( 0.000 -0.000 0.038) 0.038 5.147 ( 0.000 -0.000 0.070) 0.070 7.987 ( -0.000 0.000 -0.175) 0.175 8.060 ( 0.000 -0.000 0.807) 0.807 8.066 ( -0.000 0.000 -0.131) 0.131 8.069 ( -0.000 0.000 -0.059) 0.059 8.245 ( -0.000 0.000 -0.297) 0.297 8.707 ( 0.000 -0.000 0.378) 0.378 8.744 ( 0.000 -0.000 0.284) 0.284 9.031 ( -0.000 0.000 -0.348) 0.348 9.053 ( 0.000 -0.000 0.037) 0.037 9.635 ( 0.000 -0.000 0.049) 0.049 9.702 ( 0.000 -0.000 0.531) 0.531 11.724 ( -0.000 0.000 -0.238) 0.238 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -4.642 5.428 1.449) 7.288 0.701 ( -16.243 7.439 3.266) 18.161 0.835 ( 3.404 -2.017 0.794) 4.036 1.307 ( -2.647 -1.045 -1.304) 3.130 1.447 ( 0.051 2.729 1.137) 2.957 1.653 ( 0.459 0.622 -0.876) 1.168 1.690 ( 1.438 -0.233 -0.528) 1.550 1.796 ( 2.523 0.138 -0.263) 2.540 1.965 ( -0.528 -1.640 -0.221) 1.737 2.035 ( -2.414 0.561 0.056) 2.479 3.014 ( 5.579 -5.816 0.067) 8.060 3.064 ( 3.519 0.023 -0.005) 3.519 3.416 ( 2.043 -3.960 0.058) 4.457 3.481 ( 3.734 0.399 0.026) 3.755 5.073 ( 7.182 -3.478 0.031) 7.980 7.864 ( 11.142 -4.635 0.077) 12.068 7.975 ( 3.210 1.354 -0.056) 3.484 8.010 ( 0.092 -5.570 0.186) 5.574 8.129 ( -1.669 4.562 0.132) 4.860 8.482 ( -16.275 5.560 0.098) 17.199 8.698 ( 1.516 0.364 0.103) 1.562 8.739 ( 0.347 -0.514 -0.168) 0.643 9.042 ( -1.383 -1.766 -0.018) 2.243 9.079 ( -2.751 2.696 -0.002) 3.852 9.647 ( -0.845 0.826 -0.027) 1.182 9.804 ( -8.913 5.357 0.259) 10.402 11.689 ( 3.090 -1.789 -0.151) 3.574 ======================= Grid point 48 (30/171) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -8.140 5.569 0.000) 9.862 0.737 ( 2.414 -2.731 -0.000) 3.645 1.088 ( -17.364 8.910 0.000) 19.516 1.311 ( -0.564 -2.167 -0.000) 2.239 1.485 ( 0.506 4.380 0.000) 4.409 1.634 ( 2.538 -0.369 -0.000) 2.565 1.679 ( -0.667 -0.450 -0.000) 0.805 1.778 ( -1.071 2.537 0.000) 2.753 1.958 ( -0.918 -1.724 -0.000) 1.954 2.102 ( -4.769 1.826 0.000) 5.107 2.801 ( 12.192 -9.398 -0.000) 15.394 2.998 ( 4.297 -1.180 -0.000) 4.456 3.289 ( 7.059 -7.362 -0.000) 10.200 3.425 ( 4.489 0.393 -0.000) 4.506 4.878 ( 11.723 -5.657 -0.000) 13.016 7.689 ( 6.887 -2.255 -0.000) 7.247 7.924 ( 3.564 -1.393 -0.000) 3.827 7.967 ( 0.201 -3.051 -0.000) 3.058 8.198 ( -2.212 3.537 0.000) 4.172 8.675 ( 1.595 0.141 -0.000) 1.602 8.726 ( 0.426 -0.373 -0.000) 0.566 8.787 ( -15.443 6.093 0.000) 16.602 9.047 ( -1.158 -1.190 -0.000) 1.660 9.170 ( -4.924 2.844 0.000) 5.686 9.669 ( -0.761 0.777 0.000) 1.088 10.052 ( -13.832 8.223 0.000) 16.091 11.598 ( 5.450 -3.079 -0.000) 6.260 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 0.000 -0.000 0.000) 0.000 0.510 ( 0.000 -0.000 0.000) 0.000 0.905 ( 0.000 -0.000 0.000) 0.000 1.273 ( 0.000 -0.000 0.000) 0.000 1.442 ( 0.000 -0.000 0.000) 0.000 1.648 ( 0.000 -0.000 0.000) 0.000 1.700 ( 0.000 -0.000 0.000) 0.000 1.823 ( 0.000 -0.000 0.000) 0.000 1.967 ( 0.000 -0.000 0.000) 0.000 2.014 ( 0.000 -0.000 0.000) 0.000 3.074 ( 0.000 -0.000 0.000) 0.000 3.103 ( 0.000 -0.000 0.000) 0.000 3.443 ( 0.000 -0.000 0.000) 0.000 3.515 ( 0.000 -0.000 0.000) 0.000 5.148 ( 0.000 -0.000 0.000) 0.000 7.985 ( 0.000 -0.000 0.000) 0.000 8.065 ( 0.000 -0.000 0.000) 0.000 8.066 ( 0.000 -0.000 0.000) 0.000 8.069 ( 0.000 -0.000 0.000) 0.000 8.243 ( 0.000 -0.000 0.000) 0.000 8.710 ( 0.000 -0.000 0.000) 0.000 8.746 ( 0.000 -0.000 0.000) 0.000 9.028 ( 0.000 -0.000 0.000) 0.000 9.054 ( 0.000 -0.000 0.000) 0.000 9.635 ( 0.000 -0.000 0.000) 0.000 9.706 ( 0.000 -0.000 0.000) 0.000 11.722 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 108 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.162 ( 0.000 10.676 0.000) 10.676 0.225 ( 0.000 12.288 0.000) 12.288 0.573 ( 0.000 30.718 0.000) 30.718 1.324 ( -0.000 -0.805 -0.000) 0.805 1.535 ( -0.000 -0.635 -0.000) 0.635 1.545 ( -0.000 -0.811 -0.000) 0.811 1.692 ( -0.000 -0.045 -0.000) 0.045 1.908 ( -0.000 -0.707 -0.000) 0.707 2.020 ( 0.000 1.903 0.000) 1.903 2.085 ( -0.000 -1.203 -0.000) 1.203 2.968 ( -0.000 -7.734 -0.000) 7.734 3.100 ( -0.000 -2.447 -0.000) 2.447 3.384 ( -0.000 -5.382 -0.000) 5.382 3.499 ( -0.000 -1.633 -0.000) 1.633 5.078 ( -0.000 -6.769 -0.000) 6.769 7.813 ( -0.000 -8.858 -0.000) 8.858 7.971 ( -0.000 -1.953 -0.000) 1.953 8.021 ( -0.000 -3.040 -0.000) 3.040 8.119 ( 0.000 3.710 0.000) 3.710 8.329 ( 0.000 16.261 0.000) 16.261 8.712 ( -0.000 -0.976 -0.000) 0.976 8.851 ( -0.000 -0.536 -0.000) 0.536 9.042 ( -0.000 -0.968 -0.000) 0.968 9.089 ( 0.000 3.883 0.000) 3.883 9.659 ( 0.000 1.486 0.000) 1.486 9.763 ( 0.000 11.019 0.000) 11.019 11.713 ( -0.000 -3.029 -0.000) 3.029 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( -5.164 11.565 3.540) 13.151 0.404 ( -6.911 10.923 1.612) 13.026 0.961 ( -12.830 24.932 0.501) 28.043 1.323 ( -0.152 -0.948 1.416) 1.711 1.489 ( 4.714 -0.623 1.824) 5.093 1.554 ( -2.688 -2.511 -2.538) 4.469 1.730 ( -2.887 -0.595 1.292) 3.218 1.880 ( 2.737 -1.259 0.121) 3.015 2.009 ( 1.662 -0.731 -1.355) 2.266 2.087 ( -2.027 4.797 -0.863) 5.279 2.837 ( 5.705 -11.588 0.081) 12.916 3.046 ( 3.163 -2.739 -0.100) 4.185 3.289 ( 4.143 -8.779 0.046) 9.707 3.469 ( 1.549 -1.395 0.014) 2.085 4.951 ( 6.470 -9.013 0.011) 11.095 7.710 ( 4.115 -4.964 0.502) 6.468 7.905 ( 2.921 -3.389 0.012) 4.474 8.001 ( 1.076 -0.813 0.075) 1.351 8.180 ( -2.637 3.761 0.056) 4.594 8.574 ( -10.522 13.644 0.741) 17.246 8.691 ( 1.234 -0.441 0.087) 1.314 8.835 ( 1.792 0.477 -0.734) 1.995 9.009 ( -0.250 -2.109 -0.062) 2.125 9.169 ( -2.583 5.674 -0.211) 6.238 9.676 ( -0.221 1.365 -0.026) 1.383 9.948 ( -8.171 13.276 0.208) 15.590 11.659 ( 2.390 -4.427 -0.277) 5.038 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -9.542 12.189 1.581) 15.561 0.641 ( -8.871 10.317 1.818) 13.727 1.283 ( -2.311 3.789 -1.424) 4.661 1.404 ( -8.152 10.302 3.750) 13.662 1.433 ( 3.025 -0.127 1.350) 3.314 1.551 ( -2.699 -0.295 -2.525) 3.707 1.751 ( 0.900 -0.078 -1.071) 1.401 1.821 ( 1.660 -2.380 1.654) 3.341 1.997 ( -3.216 -1.221 -1.607) 3.796 2.193 ( -4.462 8.226 -0.576) 9.376 2.585 ( 11.269 -13.689 -0.101) 17.731 2.961 ( 4.070 -2.982 -0.120) 5.047 3.102 ( 7.183 -12.131 0.053) 14.098 3.423 ( 3.968 0.100 0.047) 3.969 4.730 ( 9.874 -10.057 -0.015) 14.094 7.626 ( 2.823 -1.697 0.320) 3.310 7.835 ( 1.883 -3.964 -0.018) 4.388 7.971 ( 1.992 -0.017 0.011) 1.993 8.257 ( -2.030 4.435 0.092) 4.879 8.670 ( 1.005 -0.341 0.010) 1.061 8.787 ( 1.491 2.048 -1.499) 2.944 8.890 ( -11.376 9.801 1.444) 15.085 9.012 ( -2.709 -2.959 -0.136) 4.014 9.263 ( -2.231 6.690 -0.075) 7.053 9.682 ( 0.502 0.170 0.004) 0.530 10.231 ( -11.742 12.766 0.235) 17.347 11.555 ( 4.621 -5.594 -0.563) 7.277 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -12.518 11.680 -0.979) 17.149 0.888 ( -9.343 9.860 1.393) 13.655 1.291 ( 1.171 0.331 1.933) 2.285 1.408 ( 0.751 -0.078 -0.166) 0.774 1.475 ( 1.638 -0.538 -0.927) 1.958 1.603 ( 3.099 0.507 -0.433) 3.169 1.758 ( -2.668 1.633 -1.029) 3.293 1.824 ( -1.789 -0.452 1.168) 2.183 2.104 ( -13.319 0.143 -0.420) 13.327 2.250 ( 14.412 -13.193 -0.441) 19.543 2.374 ( -6.503 12.546 -0.233) 14.133 2.858 ( 7.919 -14.179 -0.004) 16.240 2.872 ( 3.282 -3.303 -0.168) 4.659 3.336 ( 9.379 2.894 0.065) 9.815 4.488 ( 8.042 -10.208 -0.077) 12.996 7.597 ( -0.086 -0.335 -0.058) 0.351 7.768 ( 2.470 -3.364 -0.037) 4.174 7.946 ( 1.143 0.061 0.027) 1.145 8.320 ( -0.374 4.626 0.087) 4.642 8.653 ( 0.713 -0.350 -0.157) 0.810 8.762 ( 1.927 1.394 -0.541) 2.439 9.017 ( -2.570 -2.915 -0.646) 3.939 9.173 ( -11.419 7.626 0.758) 13.752 9.352 ( -1.206 6.334 0.142) 6.449 9.657 ( 2.049 -1.550 0.081) 2.570 10.529 ( -11.703 10.641 0.270) 15.820 11.408 ( 6.325 -6.347 -0.714) 8.989 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -4.454 7.573 0.277) 8.790 1.144 ( -10.037 7.343 -2.484) 12.682 1.288 ( 2.826 0.290 2.793) 3.984 1.397 ( 0.348 -0.231 -1.153) 1.227 1.417 ( 1.585 -1.165 -1.077) 2.242 1.566 ( 0.697 1.161 0.998) 1.682 1.772 ( -0.497 -0.876 -0.260) 1.040 1.851 ( -0.962 -0.164 -0.291) 1.018 1.920 ( 11.138 -8.762 -0.476) 14.179 2.358 ( -18.128 -1.279 -0.008) 18.173 2.582 ( 1.354 -2.630 -0.266) 2.970 2.616 ( 0.543 -1.561 0.160) 1.660 2.810 ( 0.728 -2.861 -0.343) 2.972 3.192 ( 14.355 8.934 0.051) 16.908 4.324 ( 0.778 -8.862 -0.140) 8.897 7.617 ( -2.786 -0.011 -0.430) 2.819 7.698 ( 2.979 -2.432 -0.015) 3.845 7.936 ( 0.231 0.104 -0.030) 0.256 8.351 ( 1.539 4.010 0.108) 4.297 8.640 ( 0.301 -0.430 -0.297) 0.603 8.748 ( 1.217 1.372 0.012) 1.834 9.019 ( -2.166 -3.287 -0.881) 4.034 9.383 ( -6.631 4.343 0.260) 7.931 9.411 ( 0.929 5.344 0.320) 5.434 9.596 ( 2.815 -2.289 0.131) 3.630 10.765 ( -6.390 6.457 0.262) 9.088 11.252 ( 4.499 -5.295 -0.462) 6.964 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 8.381 -0.786 -1.887) 8.627 1.162 ( 10.782 -2.531 1.267) 11.147 1.278 ( -2.083 1.036 -2.430) 3.365 1.392 ( -0.255 0.040 0.510) 0.572 1.453 ( -2.541 4.305 0.026) 5.000 1.520 ( 2.766 -3.113 -0.098) 4.166 1.772 ( -0.613 -0.595 0.674) 1.088 1.857 ( -0.385 -0.097 -0.267) 0.478 1.933 ( -13.729 6.134 0.125) 15.038 2.337 ( 7.713 -15.075 -0.525) 16.941 2.619 ( 3.622 0.908 0.080) 3.735 2.636 ( -10.624 -0.730 0.016) 10.649 2.796 ( -2.300 -2.113 -0.560) 3.173 3.162 ( 2.884 15.629 -0.026) 15.893 4.313 ( -7.672 -4.976 -0.156) 9.146 7.635 ( 2.466 -1.501 0.015) 2.887 7.673 ( -4.758 -0.039 -0.624) 4.799 7.938 ( -0.180 0.375 -0.221) 0.471 8.346 ( 3.231 2.622 0.148) 4.164 8.632 ( -0.188 -0.552 -0.372) 0.691 8.749 ( 0.718 1.560 0.530) 1.797 9.011 ( -1.897 -3.667 -1.108) 4.274 9.386 ( 6.546 -2.586 -0.072) 7.039 9.420 ( 3.906 3.674 0.404) 5.377 9.604 ( -3.582 1.776 0.071) 3.999 10.764 ( 8.977 -2.431 -0.266) 9.304 11.248 ( -6.627 1.039 0.526) 6.728 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 12.964 -2.909 -2.218) 13.471 0.901 ( 15.437 -4.313 -1.455) 16.094 1.283 ( -0.649 0.047 -1.811) 1.924 1.397 ( 0.043 -0.228 0.043) 0.236 1.465 ( -0.187 -0.432 0.830) 0.954 1.580 ( -3.062 4.102 1.305) 5.283 1.765 ( 3.840 -0.949 1.297) 4.162 1.849 ( -0.399 -0.838 -1.188) 1.507 2.079 ( 7.351 -11.455 -0.598) 13.624 2.280 ( -19.469 7.708 -0.075) 20.939 2.401 ( 15.073 0.760 0.498) 15.100 2.831 ( -4.676 -1.387 -0.697) 4.927 2.907 ( -16.949 0.669 -0.102) 16.962 3.286 ( -2.203 8.732 -0.164) 9.007 4.459 ( -13.489 -0.257 -0.123) 13.492 7.600 ( 0.589 -0.537 -0.090) 0.802 7.751 ( -5.747 -0.172 -0.488) 5.771 7.946 ( -0.443 0.918 -0.498) 1.134 8.303 ( 4.359 0.801 0.182) 4.436 8.630 ( -0.691 -0.648 -0.393) 1.026 8.762 ( 0.383 1.849 1.038) 2.155 8.996 ( -1.714 -3.875 -1.204) 4.405 9.201 ( 11.853 -3.885 -0.625) 12.489 9.374 ( 6.161 2.678 0.476) 6.734 9.664 ( -1.821 1.023 0.016) 2.089 10.523 ( 15.196 -5.014 -0.352) 16.006 11.402 ( -8.703 2.277 0.921) 9.043 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 14.366 -2.240 -3.717) 15.007 0.645 ( 12.139 -2.465 -3.210) 12.796 1.253 ( 7.617 -1.654 1.198) 7.886 1.383 ( 0.987 -0.962 -0.617) 1.510 1.435 ( 3.325 -0.909 -4.838) 5.940 1.597 ( 4.569 1.766 4.053) 6.358 1.700 ( -1.347 -0.550 1.904) 2.396 1.857 ( -2.326 -0.341 -2.463) 3.405 1.956 ( 1.181 -3.431 1.007) 3.766 2.215 ( 10.017 0.519 0.657) 10.052 2.636 ( -17.720 5.224 0.009) 18.474 2.897 ( -5.545 -1.096 -0.679) 5.693 3.161 ( -14.099 1.468 -0.086) 14.175 3.369 ( -2.156 2.424 -0.206) 3.251 4.696 ( -15.090 1.583 -0.085) 15.173 7.613 ( -2.825 0.366 -0.265) 2.861 7.835 ( -5.599 -0.491 -0.209) 5.625 7.962 ( -0.903 1.461 -0.756) 1.876 8.232 ( 4.726 -0.653 0.215) 4.775 8.636 ( -1.160 -0.578 -0.381) 1.351 8.781 ( 0.971 1.425 1.794) 2.488 8.946 ( 13.049 -1.805 -1.522) 13.261 8.987 ( -0.474 -3.818 -1.264) 4.050 9.290 ( 7.346 1.554 0.544) 7.528 9.679 ( 0.305 0.062 0.036) 0.314 10.225 ( 16.838 -3.760 -0.324) 17.256 11.552 ( -7.222 1.342 0.831) 7.392 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 10.011 0.000 -7.118) 12.284 0.419 ( 12.106 0.000 -3.153) 12.510 0.930 ( 26.418 0.000 -1.279) 26.449 1.357 ( 1.039 0.000 -0.677) 1.240 1.428 ( -5.916 0.000 -4.760) 7.593 1.637 ( 0.020 -0.000 8.035) 8.035 1.736 ( -1.546 -0.000 1.055) 1.872 1.860 ( -1.928 0.000 -5.411) 5.744 1.940 ( 0.803 -0.000 1.854) 2.021 2.099 ( 6.085 0.000 0.489) 6.105 2.908 ( -13.228 -0.000 0.152) 13.229 2.966 ( -4.577 -0.000 -0.528) 4.607 3.359 ( -9.890 -0.000 -0.053) 9.891 3.405 ( -1.710 -0.000 -0.150) 1.716 4.926 ( -12.677 -0.000 -0.057) 12.677 7.694 ( -7.544 -0.000 -0.675) 7.574 7.911 ( -4.523 -0.000 0.004) 4.523 7.984 ( -1.211 0.000 -0.773) 1.437 8.157 ( 4.180 0.000 0.216) 4.186 8.641 ( 17.145 0.000 -1.092) 17.180 8.651 ( -1.390 -0.000 -0.339) 1.431 8.831 ( -0.060 -0.000 0.921) 0.923 8.991 ( -2.426 -0.000 -0.738) 2.536 9.188 ( 7.018 0.000 0.594) 7.043 9.666 ( 1.137 0.000 0.067) 1.139 9.947 ( 15.482 0.000 -0.337) 15.485 11.659 ( -4.985 -0.000 0.532) 5.013 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 13.265 0.000 -0.000) 13.265 0.395 ( 12.686 0.000 -0.000) 12.686 0.922 ( 27.943 0.000 -0.000) 27.943 1.352 ( 1.175 0.000 -0.000) 1.175 1.388 ( -5.707 -0.000 0.000) 5.707 1.736 ( -4.144 -0.000 0.000) 4.144 1.744 ( -1.584 -0.000 0.000) 1.584 1.780 ( 2.122 0.000 -0.000) 2.122 1.955 ( 0.388 0.000 -0.000) 0.388 2.104 ( 6.205 0.000 -0.000) 6.205 2.909 ( -13.274 -0.000 0.000) 13.274 2.961 ( -4.597 -0.000 0.000) 4.597 3.359 ( -9.896 -0.000 0.000) 9.896 3.404 ( -1.720 -0.000 0.000) 1.720 4.926 ( -12.677 -0.000 0.000) 12.677 7.688 ( -7.062 -0.000 0.000) 7.062 7.911 ( -4.580 -0.000 0.000) 4.580 7.978 ( -1.149 -0.000 0.000) 1.149 8.159 ( 4.182 0.000 -0.000) 4.182 8.632 ( 18.646 0.000 -0.000) 18.646 8.648 ( -1.363 -0.000 0.000) 1.363 8.838 ( -1.370 -0.000 0.000) 1.370 8.986 ( -2.625 -0.000 0.000) 2.625 9.193 ( 6.906 0.000 -0.000) 6.906 9.667 ( 1.108 0.000 -0.000) 1.108 9.944 ( 15.556 0.000 -0.000) 15.556 11.663 ( -4.933 -0.000 0.000) 4.933 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( 0.000 10.393 5.017) 11.541 0.268 ( 0.000 5.569 10.996) 12.326 0.598 ( 0.000 28.652 3.270) 28.838 1.341 ( 0.000 -0.416 1.803) 1.850 1.509 ( -0.000 -0.617 -4.208) 4.253 1.589 ( 0.000 -4.660 5.389) 7.124 1.717 ( 0.000 -0.180 2.767) 2.773 1.910 ( -0.000 -0.992 0.210) 1.014 2.020 ( 0.000 1.871 0.067) 1.872 2.030 ( -0.000 0.703 -6.330) 6.369 2.972 ( -0.000 -7.889 0.402) 7.899 3.098 ( -0.000 -2.474 -0.278) 2.489 3.385 ( -0.000 -5.388 0.105) 5.389 3.499 ( -0.000 -1.622 0.006) 1.622 5.078 ( -0.000 -6.786 0.046) 6.787 7.830 ( -0.000 -10.302 1.670) 10.437 7.970 ( -0.000 -1.970 -0.198) 1.980 8.029 ( -0.000 -3.342 0.880) 3.456 8.118 ( 0.000 3.720 -0.055) 3.720 8.361 ( 0.000 13.609 3.333) 14.011 8.714 ( -0.000 -0.995 0.265) 1.029 8.816 ( -0.000 2.813 -3.760) 4.696 9.035 ( -0.000 -1.084 -0.706) 1.294 9.089 ( 0.000 3.894 0.056) 3.894 9.658 ( 0.000 1.558 -0.125) 1.563 9.767 ( 0.000 10.952 0.596) 10.968 11.710 ( -0.000 -3.088 -0.391) 3.113 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -2.839 7.050 7.746) 10.852 0.449 ( -6.016 9.840 4.168) 12.264 0.974 ( -11.933 22.735 1.226) 25.706 1.356 ( -0.380 0.241 2.721) 2.758 1.491 ( -1.796 -2.167 -4.601) 5.393 1.540 ( 4.461 -1.296 3.900) 6.066 1.751 ( -0.798 -0.136 1.063) 1.336 1.885 ( 1.481 -2.886 0.538) 3.288 1.966 ( 0.826 0.487 -4.450) 4.552 2.073 ( -2.801 4.496 -0.696) 5.343 2.839 ( 5.840 -11.828 0.159) 13.192 3.043 ( 2.978 -2.861 -0.284) 4.140 3.291 ( 4.158 -8.801 0.119) 9.735 3.469 ( 1.501 -1.430 0.038) 2.074 4.952 ( 6.479 -9.047 0.031) 11.128 7.722 ( 4.435 -5.475 1.045) 7.123 7.905 ( 2.855 -3.504 0.013) 4.520 8.002 ( 1.370 -0.831 0.137) 1.608 8.182 ( -2.723 3.689 0.171) 4.588 8.593 ( -9.686 12.105 1.574) 15.583 8.693 ( 1.330 -0.507 0.209) 1.439 8.815 ( 0.505 1.560 -1.817) 2.447 9.008 ( -0.374 -2.163 -0.175) 2.202 9.164 ( -2.658 5.772 -0.335) 6.363 9.675 ( -0.247 1.410 -0.081) 1.434 9.953 ( -8.001 13.219 0.560) 15.462 11.652 ( 2.449 -4.486 -0.641) 5.151 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -7.094 8.990 2.787) 11.786 0.679 ( -8.198 9.565 3.204) 12.999 1.267 ( -4.084 6.132 -0.734) 7.404 1.435 ( 0.047 1.287 -1.262) 1.803 1.461 ( -2.841 3.164 2.369) 4.867 1.532 ( -2.663 2.286 1.700) 3.900 1.727 ( 3.071 0.614 -2.060) 3.748 1.847 ( -0.151 -3.553 1.565) 3.885 1.965 ( -3.967 0.263 -2.465) 4.678 2.184 ( -4.944 7.825 -0.553) 9.273 2.582 ( 11.306 -14.023 -0.214) 18.015 2.958 ( 3.870 -3.257 -0.235) 5.064 3.103 ( 7.209 -12.164 0.086) 14.140 3.424 ( 3.910 0.025 0.081) 3.911 4.730 ( 9.900 -10.102 -0.023) 14.145 7.632 ( 3.228 -1.888 0.480) 3.770 7.835 ( 1.713 -4.323 -0.037) 4.650 7.971 ( 1.991 0.003 -0.001) 1.991 8.259 ( -1.986 4.401 0.179) 4.832 8.670 ( 1.105 -0.478 -0.019) 1.204 8.764 ( 0.427 2.202 -1.445) 2.668 8.911 ( -10.473 8.939 1.264) 13.827 9.008 ( -2.820 -2.847 -0.270) 4.017 9.262 ( -2.519 6.650 -0.050) 7.111 9.682 ( 0.452 0.220 -0.009) 0.503 10.236 ( -11.626 12.733 0.396) 17.247 11.544 ( 4.675 -5.578 -0.862) 7.329 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -11.642 9.690 -1.175) 15.193 0.916 ( -8.181 9.073 2.320) 12.435 1.315 ( -0.233 1.497 0.939) 1.783 1.403 ( 0.861 -0.671 -0.355) 1.148 1.468 ( 2.675 -0.895 0.246) 2.831 1.596 ( 3.040 0.576 -0.626) 3.157 1.738 ( -3.222 2.174 -1.699) 4.242 1.842 ( -0.990 -1.789 1.193) 2.368 2.099 ( -13.985 1.142 -0.271) 14.034 2.243 ( 14.278 -13.645 -0.544) 19.758 2.370 ( -6.835 12.419 -0.190) 14.177 2.858 ( 7.762 -13.897 0.002) 15.918 2.869 ( 3.329 -3.986 -0.265) 5.200 3.337 ( 9.353 2.825 0.096) 9.771 4.487 ( 8.061 -10.277 -0.092) 13.061 7.596 ( 0.284 -0.457 -0.074) 0.544 7.767 ( 2.138 -3.896 -0.070) 4.444 7.946 ( 1.166 0.109 0.047) 1.172 8.321 ( -0.333 4.643 0.139) 4.657 8.650 ( 0.729 -0.538 -0.226) 0.934 8.752 ( 1.286 1.502 -0.727) 2.107 9.008 ( -2.488 -3.264 -0.459) 4.129 9.184 ( -11.095 7.323 0.591) 13.307 9.355 ( -1.354 6.356 0.216) 6.502 9.658 ( 2.008 -1.494 0.076) 2.504 10.533 ( -11.717 10.622 0.343) 15.819 11.396 ( 6.260 -6.212 -0.860) 8.860 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -6.543 6.787 -0.921) 9.472 1.112 ( -6.743 6.213 -0.874) 9.210 1.317 ( 3.045 0.146 0.308) 3.064 1.394 ( 0.875 -0.449 0.913) 1.342 1.407 ( 0.145 -0.876 0.342) 0.952 1.573 ( 0.842 1.308 -0.060) 1.556 1.759 ( -1.352 -0.355 -1.344) 1.939 1.852 ( -0.547 -0.875 0.386) 1.102 1.913 ( 10.388 -8.699 -0.554) 13.560 2.358 ( -17.948 -1.171 0.006) 17.986 2.578 ( 1.728 -3.637 -0.240) 4.034 2.619 ( 0.105 -0.867 0.228) 0.902 2.804 ( 0.634 -3.250 -0.413) 3.337 3.193 ( 14.389 8.928 0.083) 16.934 4.322 ( 0.750 -8.964 -0.137) 8.997 7.610 ( -2.562 -0.047 -0.444) 2.600 7.697 ( 2.614 -2.993 -0.055) 3.974 7.936 ( 0.345 0.085 0.020) 0.356 8.353 ( 1.569 4.080 0.137) 4.373 8.635 ( 0.235 -0.649 -0.320) 0.761 8.747 ( 0.792 1.639 -0.169) 1.828 9.008 ( -2.215 -3.871 -0.617) 4.503 9.386 ( -6.385 4.245 0.176) 7.670 9.416 ( 0.898 5.431 0.337) 5.515 9.597 ( 2.851 -2.239 0.080) 3.626 10.769 ( -6.181 6.326 0.258) 8.848 11.245 ( 4.003 -4.959 -0.441) 6.389 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 9.229 -2.046 -1.334) 9.547 1.170 ( 7.863 -1.939 -0.337) 8.105 1.252 ( 1.435 -0.468 -0.758) 1.689 1.403 ( -0.072 -0.375 0.966) 1.039 1.452 ( -1.721 3.300 -0.256) 3.731 1.519 ( -0.010 -0.897 0.007) 0.897 1.774 ( -1.261 -0.366 -0.388) 1.369 1.857 ( 0.104 -0.373 0.209) 0.440 1.934 ( -13.811 6.173 0.038) 15.128 2.330 ( 7.928 -15.369 -0.342) 17.296 2.620 ( 0.198 0.724 0.055) 0.752 2.637 ( -7.340 -0.569 0.054) 7.362 2.787 ( -2.382 -2.492 -0.501) 3.483 3.162 ( 2.997 15.565 0.012) 15.851 4.311 ( -7.743 -5.077 -0.124) 9.259 7.634 ( 2.107 -2.009 -0.122) 2.914 7.665 ( -4.579 0.122 -0.443) 4.602 7.935 ( -0.044 0.189 -0.107) 0.221 8.348 ( 3.271 2.727 0.146) 4.262 8.627 ( -0.283 -0.766 -0.320) 0.877 8.755 ( 0.419 1.988 0.255) 2.048 8.998 ( -2.034 -4.371 -0.654) 4.865 9.385 ( 6.902 -2.797 -0.065) 7.447 9.425 ( 3.864 3.959 0.282) 5.539 9.604 ( -3.504 1.815 0.008) 3.946 10.760 ( 9.207 -2.559 -0.218) 9.558 11.256 ( -7.146 1.339 0.442) 7.284 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 12.148 -3.607 -1.493) 12.760 0.884 ( 17.984 -5.511 -0.777) 18.825 1.261 ( -1.832 0.462 -1.140) 2.207 1.397 ( 0.575 -0.502 -0.056) 0.765 1.479 ( -0.077 -0.005 0.893) 0.896 1.595 ( -2.724 4.120 0.766) 4.998 1.780 ( 1.891 -0.475 0.634) 2.051 1.829 ( 2.058 -1.042 -1.212) 2.606 2.074 ( 6.225 -11.944 -0.064) 13.469 2.279 ( -19.490 7.640 -0.057) 20.934 2.408 ( 14.921 0.974 0.344) 14.957 2.822 ( -4.774 -1.703 -0.457) 5.089 2.905 ( -16.973 0.622 -0.063) 16.984 3.284 ( -2.121 8.687 -0.088) 8.943 4.458 ( -13.549 -0.322 -0.076) 13.553 7.598 ( 0.508 -0.782 -0.118) 0.940 7.745 ( -5.766 0.026 -0.302) 5.774 7.940 ( -0.340 0.565 -0.248) 0.704 8.305 ( 4.409 0.931 0.133) 4.508 8.625 ( -0.767 -0.819 -0.258) 1.151 8.774 ( 0.087 2.450 0.577) 2.518 8.983 ( -1.979 -4.663 -0.540) 5.095 9.192 ( 12.482 -4.013 -0.530) 13.122 9.380 ( 6.162 2.845 0.286) 6.793 9.664 ( -1.817 1.061 -0.012) 2.104 10.519 ( 15.191 -5.022 -0.212) 16.002 11.414 ( -8.814 2.340 0.580) 9.138 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 16.842 -3.248 -1.474) 17.215 0.610 ( 12.484 -2.658 -1.281) 12.828 1.287 ( 4.191 -0.860 3.188) 5.336 1.358 ( 10.816 -2.306 -4.735) 12.030 1.378 ( 0.863 -0.890 -0.337) 1.285 1.649 ( 0.059 4.362 2.092) 4.838 1.731 ( -1.066 -2.420 2.278) 3.490 1.810 ( -0.629 -0.028 -3.134) 3.197 1.971 ( -0.009 -4.128 0.604) 4.172 2.223 ( 10.078 0.788 0.307) 10.113 2.636 ( -17.782 5.314 0.000) 18.559 2.889 ( -5.646 -1.317 -0.268) 5.804 3.160 ( -14.112 1.453 -0.033) 14.186 3.367 ( -2.139 2.409 -0.075) 3.222 4.695 ( -15.114 1.556 -0.033) 15.194 7.610 ( -2.676 0.296 -0.135) 2.696 7.833 ( -5.677 -0.339 -0.084) 5.687 7.955 ( -0.820 1.125 -0.266) 1.417 8.234 ( 4.757 -0.520 0.091) 4.786 8.632 ( -1.179 -0.672 -0.154) 1.365 8.804 ( -0.206 2.373 1.015) 2.589 8.927 ( 15.821 -2.676 -0.851) 16.068 8.972 ( -1.954 -4.120 -0.568) 4.595 9.296 ( 7.296 1.718 0.210) 7.499 9.680 ( 0.277 0.078 0.007) 0.288 10.222 ( 16.870 -3.795 -0.120) 17.292 11.561 ( -7.185 1.346 0.329) 7.318 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 0.000 7.759 6.706) 10.256 0.433 ( 0.000 4.748 10.557) 11.576 0.664 ( 0.000 21.926 5.372) 22.574 1.373 ( 0.000 0.701 2.479) 2.577 1.436 ( -0.000 -0.379 -5.287) 5.301 1.651 ( 0.000 -4.511 2.527) 5.170 1.760 ( 0.000 -0.259 2.710) 2.722 1.896 ( -0.000 3.205 -4.103) 5.206 1.944 ( -0.000 -3.813 -2.780) 4.719 2.022 ( 0.000 1.782 0.113) 1.785 2.978 ( -0.000 -8.142 0.486) 8.156 3.092 ( -0.000 -2.543 -0.450) 2.582 3.387 ( -0.000 -5.403 0.169) 5.406 3.499 ( -0.000 -1.646 0.030) 1.646 5.079 ( -0.000 -6.829 0.079) 6.829 7.852 ( -0.000 -10.676 1.234) 10.747 7.966 ( -0.000 -2.014 -0.319) 2.039 8.043 ( -0.000 -3.336 1.003) 3.484 8.117 ( 0.000 3.745 -0.085) 3.746 8.404 ( 0.000 12.232 2.188) 12.427 8.719 ( -0.000 -1.044 0.424) 1.127 8.764 ( -0.000 4.266 -2.822) 5.115 9.025 ( -0.000 -1.529 -0.665) 1.668 9.091 ( 0.000 3.922 0.090) 3.923 9.656 ( 0.000 1.676 -0.171) 1.685 9.779 ( 0.000 10.764 0.945) 10.806 11.703 ( -0.000 -3.284 -0.502) 3.322 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -4.910 8.384 5.109) 10.977 0.543 ( -0.544 3.079 8.529) 9.084 0.991 ( -10.936 19.506 0.839) 22.378 1.384 ( -0.092 0.529 -1.206) 1.320 1.434 ( -2.329 0.156 -0.532) 2.394 1.600 ( 4.172 -1.764 3.750) 5.881 1.754 ( 2.526 0.636 -0.708) 2.700 1.882 ( -0.456 -2.209 -3.710) 4.341 1.903 ( -1.046 -0.448 -0.700) 1.336 2.067 ( -2.748 3.766 -0.159) 4.664 2.841 ( 6.004 -12.205 0.114) 13.602 3.038 ( 2.703 -3.062 -0.376) 4.102 3.293 ( 4.183 -8.836 0.146) 9.777 3.470 ( 1.425 -1.489 0.050) 2.062 4.952 ( 6.498 -9.099 0.041) 11.181 7.738 ( 4.705 -5.811 1.000) 7.544 7.905 ( 2.690 -3.694 -0.015) 4.570 8.004 ( 1.821 -0.773 0.102) 1.981 8.185 ( -2.868 3.547 0.260) 4.569 8.617 ( -9.047 10.738 1.558) 14.127 8.697 ( 1.495 -0.592 0.210) 1.621 8.785 ( -0.760 2.372 -2.151) 3.291 9.004 ( -0.676 -2.284 -0.248) 2.394 9.160 ( -2.650 5.743 -0.161) 6.327 9.673 ( -0.288 1.473 -0.108) 1.505 9.963 ( -7.753 13.102 0.711) 15.241 11.641 ( 2.570 -4.626 -0.696) 5.338 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -4.151 5.147 3.081) 7.295 0.731 ( -7.415 8.857 3.614) 12.104 1.260 ( -4.927 6.647 -0.242) 8.278 1.383 ( -2.166 0.636 -4.404) 4.949 1.499 ( -0.665 3.352 2.646) 4.322 1.584 ( -0.756 0.976 4.003) 4.189 1.692 ( 3.247 0.817 -2.541) 4.203 1.858 ( -1.312 -2.958 -0.438) 3.266 1.935 ( -4.444 1.336 -1.151) 4.781 2.178 ( -5.276 7.319 -0.250) 9.026 2.579 ( 11.343 -14.476 -0.272) 18.393 2.954 ( 3.633 -3.597 -0.282) 5.120 3.104 ( 7.239 -12.205 0.086) 14.190 3.425 ( 3.834 -0.066 0.089) 3.835 4.729 ( 9.933 -10.156 -0.020) 14.206 7.639 ( 3.685 -2.057 0.443) 4.243 7.834 ( 1.509 -4.760 -0.046) 4.994 7.971 ( 1.963 0.038 -0.020) 1.963 8.262 ( -1.933 4.343 0.218) 4.759 8.670 ( 1.211 -0.651 -0.072) 1.377 8.746 ( 0.330 1.704 -0.972) 1.989 8.925 ( -10.936 8.866 0.683) 14.095 9.004 ( -2.672 -2.916 -0.308) 3.967 9.262 ( -2.810 6.567 0.035) 7.143 9.682 ( 0.395 0.281 -0.024) 0.486 10.242 ( -11.483 12.676 0.414) 17.109 11.531 ( 4.764 -5.583 -0.813) 7.385 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -10.329 7.540 -0.865) 12.818 0.953 ( -7.384 8.558 2.489) 11.574 1.309 ( -0.513 0.798 -1.553) 1.820 1.405 ( -1.392 0.843 0.518) 1.708 1.484 ( 4.626 -1.365 1.754) 5.132 1.584 ( 2.741 1.099 -0.914) 3.091 1.711 ( -2.851 1.102 -1.692) 3.493 1.856 ( -1.009 -1.913 0.636) 2.254 2.097 ( -14.373 1.869 0.025) 14.494 2.235 ( 14.326 -14.220 -0.451) 20.190 2.368 ( -7.249 12.352 -0.068) 14.322 2.859 ( 7.372 -13.145 0.022) 15.071 2.865 ( 3.609 -5.135 -0.276) 6.282 3.338 ( 9.318 2.757 0.090) 9.718 4.486 ( 8.080 -10.344 -0.073) 13.126 7.595 ( 0.651 -0.572 -0.062) 0.869 7.766 ( 1.823 -4.429 -0.074) 4.791 7.947 ( 1.167 0.172 0.048) 1.181 8.323 ( -0.289 4.655 0.139) 4.666 8.647 ( 0.725 -0.736 -0.212) 1.055 8.742 ( 0.794 1.494 -0.619) 1.801 9.003 ( -2.402 -3.657 -0.203) 4.380 9.190 ( -10.937 7.236 0.289) 13.118 9.358 ( -1.504 6.350 0.212) 6.529 9.659 ( 1.980 -1.440 0.041) 2.448 10.538 ( -11.728 10.597 0.285) 15.809 11.384 ( 6.205 -6.085 -0.678) 8.717 ======================= Grid point 134 (54/171) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -9.908 6.211 -1.561) 11.797 1.118 ( -1.518 5.072 0.888) 5.368 1.303 ( 0.291 0.048 -1.416) 1.446 1.395 ( 1.527 -1.268 -0.170) 1.992 1.447 ( 0.150 0.656 3.615) 3.677 1.563 ( 2.117 0.608 -1.276) 2.545 1.738 ( -2.594 0.141 -1.325) 2.916 1.859 ( -0.466 -1.154 0.483) 1.335 1.905 ( 10.046 -8.728 -0.416) 13.315 2.358 ( -17.766 -1.096 0.011) 17.800 2.575 ( 1.999 -4.396 -0.136) 4.832 2.623 ( -0.206 -0.365 0.181) 0.456 2.798 ( 0.554 -3.579 -0.294) 3.633 3.195 ( 14.398 8.920 0.067) 16.937 4.321 ( 0.727 -9.047 -0.083) 9.077 7.605 ( -2.371 -0.101 -0.280) 2.389 7.696 ( 2.318 -3.451 -0.055) 4.157 7.937 ( 0.433 0.110 0.037) 0.448 8.355 ( 1.596 4.140 0.100) 4.439 8.631 ( 0.172 -0.835 -0.211) 0.878 8.744 ( 0.459 1.776 -0.197) 1.845 9.001 ( -2.243 -4.270 -0.255) 4.830 9.388 ( -6.287 4.226 0.073) 7.576 9.420 ( 0.929 5.458 0.220) 5.541 9.598 ( 2.901 -2.210 0.024) 3.647 10.772 ( -5.997 6.211 0.158) 8.635 11.240 ( 3.589 -4.684 -0.262) 5.906 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 9.779 -2.881 -0.461) 10.205 1.160 ( 3.860 -0.766 -0.564) 3.976 1.250 ( 5.549 -2.029 0.082) 5.909 1.418 ( 1.906 -1.946 0.854) 2.854 1.445 ( -2.292 2.879 -0.551) 3.721 1.520 ( -2.433 1.594 0.121) 2.911 1.766 ( -1.252 -0.451 -0.440) 1.402 1.861 ( 0.204 -0.554 0.201) 0.623 1.934 ( -13.870 6.218 0.009) 15.200 2.327 ( 8.011 -15.498 -0.110) 17.446 2.621 ( -2.283 0.560 0.017) 2.351 2.638 ( -4.941 -0.414 0.033) 4.958 2.782 ( -2.442 -2.728 -0.203) 3.667 3.162 ( 3.067 15.516 0.012) 15.816 4.310 ( -7.786 -5.140 -0.047) 9.330 7.633 ( 1.685 -2.333 -0.088) 2.879 7.660 ( -4.271 0.198 -0.145) 4.278 7.934 ( 0.047 0.115 -0.024) 0.127 8.350 ( 3.297 2.798 0.063) 4.325 8.623 ( -0.345 -0.905 -0.127) 0.977 8.757 ( 0.205 2.205 0.047) 2.215 8.992 ( -2.111 -4.744 -0.183) 5.195 9.384 ( 7.174 -2.972 -0.030) 7.765 9.428 ( 3.820 4.159 0.100) 5.648 9.604 ( -3.465 1.839 -0.008) 3.923 10.758 ( 9.340 -2.633 -0.084) 9.704 11.261 ( -7.462 1.518 0.173) 7.616 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 11.991 -3.923 -0.000) 12.617 0.878 ( 18.772 -5.965 -0.000) 19.697 1.252 ( -2.266 0.655 0.000) 2.359 1.397 ( 0.691 -0.570 -0.000) 0.896 1.487 ( 0.255 0.089 0.000) 0.270 1.601 ( -2.550 4.120 0.000) 4.845 1.784 ( -1.130 0.223 0.000) 1.152 1.820 ( 5.150 -1.726 -0.000) 5.431 2.074 ( 5.711 -12.042 -0.000) 13.328 2.279 ( -19.504 7.622 0.000) 20.940 2.411 ( 14.856 1.064 -0.000) 14.894 2.819 ( -4.812 -1.823 -0.000) 5.146 2.905 ( -16.982 0.604 0.000) 16.992 3.284 ( -2.089 8.669 0.000) 8.917 4.457 ( -13.572 -0.347 0.000) 13.576 7.597 ( 0.470 -0.888 -0.000) 1.005 7.743 ( -5.767 0.101 0.000) 5.768 7.938 ( -0.295 0.446 0.000) 0.535 8.306 ( 4.428 0.982 0.000) 4.535 8.623 ( -0.796 -0.887 -0.000) 1.192 8.778 ( -0.071 2.689 0.000) 2.690 8.979 ( -2.112 -4.959 -0.000) 5.390 9.188 ( 12.811 -4.075 -0.000) 13.443 9.382 ( 6.159 2.906 0.000) 6.810 9.664 ( -1.817 1.075 0.000) 2.111 10.517 ( 15.189 -5.026 -0.000) 15.999 11.418 ( -8.860 2.364 0.000) 9.170 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 5.513 -0.000 8.973) 10.531 0.479 ( 11.025 0.000 4.530) 11.919 0.961 ( 23.143 0.000 2.695) 23.299 1.372 ( 0.648 -0.000 1.270) 1.425 1.505 ( -2.152 -0.000 2.631) 3.399 1.525 ( -2.176 0.000 -4.468) 4.970 1.713 ( -1.424 0.000 -1.898) 2.373 1.892 ( -0.226 0.000 -2.771) 2.780 1.932 ( -0.726 -0.000 2.580) 2.680 2.092 ( 5.650 0.000 -0.366) 5.662 2.905 ( -13.108 -0.000 -0.246) 13.111 2.976 ( -4.510 -0.000 0.806) 4.582 3.360 ( -9.876 -0.000 0.084) 9.876 3.408 ( -1.679 -0.000 0.245) 1.697 4.927 ( -12.675 -0.000 0.092) 12.675 7.704 ( -8.193 -0.000 0.616) 8.216 7.911 ( -4.373 -0.000 -0.003) 4.373 7.999 ( -1.323 -0.000 1.285) 1.844 8.153 ( 4.178 0.000 -0.323) 4.190 8.657 ( -1.457 -0.000 0.500) 1.540 8.660 ( 14.192 0.000 1.478) 14.269 8.812 ( 2.633 0.000 -1.569) 3.066 9.006 ( -1.904 -0.000 1.210) 2.256 9.178 ( 7.094 0.000 -0.785) 7.138 9.665 ( 1.197 0.000 -0.117) 1.203 9.954 ( 15.293 0.000 0.555) 15.303 11.649 ( -5.175 -0.000 -0.758) 5.230 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 0.000 6.122 6.142) 8.671 0.568 ( 0.000 10.718 7.408) 13.029 0.748 ( 0.000 10.157 5.612) 11.605 1.359 ( -0.000 -0.197 -4.931) 4.935 1.414 ( 0.000 1.784 3.029) 3.516 1.669 ( -0.000 -1.874 0.255) 1.892 1.794 ( 0.000 -0.238 1.930) 1.945 1.806 ( -0.000 2.985 -6.246) 6.922 1.934 ( -0.000 -4.854 -0.075) 4.855 2.024 ( 0.000 1.663 0.120) 1.667 2.985 ( -0.000 -8.465 0.405) 8.475 3.085 ( -0.000 -2.628 -0.452) 2.667 3.390 ( -0.000 -5.422 0.168) 5.425 3.499 ( -0.000 -1.689 0.036) 1.689 5.080 ( -0.000 -6.875 0.082) 6.876 7.867 ( -0.000 -10.436 0.829) 10.469 7.961 ( -0.000 -2.068 -0.317) 2.092 8.057 ( -0.000 -3.191 0.884) 3.311 8.116 ( 0.000 3.776 -0.082) 3.777 8.425 ( 0.000 13.135 0.690) 13.153 8.726 ( -0.000 -1.105 0.420) 1.182 8.734 ( -0.000 2.754 -1.342) 3.064 9.016 ( -0.000 -1.777 -0.564) 1.864 9.092 ( 0.000 3.957 0.090) 3.958 9.653 ( 0.000 1.696 -0.120) 1.700 9.793 ( 0.000 10.605 0.915) 10.644 11.696 ( -0.000 -3.457 -0.461) 3.487 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -4.139 7.849 4.189) 9.813 0.663 ( 1.472 -0.364 7.316) 7.471 0.994 ( -10.437 17.135 -0.571) 20.071 1.330 ( -0.769 -0.569 -3.861) 3.978 1.470 ( -1.354 2.701 3.313) 4.484 1.645 ( 2.212 -0.642 2.214) 3.195 1.730 ( 4.302 0.649 -2.607) 5.072 1.822 ( -1.377 0.482 -2.985) 3.322 1.911 ( -1.484 -3.226 0.583) 3.599 2.066 ( -2.695 3.377 0.008) 4.321 2.842 ( 6.133 -12.588 0.038) 14.002 3.033 ( 2.450 -3.281 -0.317) 4.107 3.295 ( 4.208 -8.870 0.116) 9.818 3.471 ( 1.350 -1.548 0.042) 2.055 4.953 ( 6.520 -9.146 0.036) 11.232 7.750 ( 4.865 -5.899 0.684) 7.677 7.905 ( 2.474 -3.889 -0.035) 4.609 8.005 ( 2.267 -0.668 0.051) 2.364 8.189 ( -3.018 3.372 0.253) 4.532 8.638 ( -9.227 10.545 1.230) 14.065 8.699 ( 1.619 -0.606 0.087) 1.731 8.755 ( -1.028 1.987 -1.795) 2.868 9.001 ( -1.021 -2.404 -0.227) 2.622 9.159 ( -2.630 5.652 -0.012) 6.234 9.672 ( -0.316 1.516 -0.086) 1.551 9.973 ( -7.531 12.976 0.585) 15.015 11.632 ( 2.693 -4.767 -0.520) 5.500 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -1.688 2.004 2.088) 3.350 0.778 ( -6.874 8.514 2.525) 11.230 1.261 ( -5.670 6.645 0.434) 8.746 1.321 ( -3.047 1.704 -3.659) 5.057 1.537 ( 0.314 3.004 2.280) 3.785 1.628 ( 3.127 -1.405 0.861) 3.535 1.662 ( 0.405 1.123 -0.509) 1.298 1.838 ( -3.231 -0.071 -1.660) 3.633 1.931 ( -3.718 0.489 0.254) 3.759 2.176 ( -5.450 6.997 -0.048) 8.869 2.575 ( 11.361 -14.879 -0.196) 18.721 2.950 ( 3.452 -3.876 -0.196) 5.194 3.105 ( 7.261 -12.238 0.053) 14.230 3.426 ( 3.768 -0.138 0.058) 3.770 4.729 ( 9.962 -10.198 -0.012) 14.256 7.644 ( 4.031 -2.152 0.259) 4.577 7.834 ( 1.348 -5.110 -0.032) 5.285 7.970 ( 1.923 0.071 -0.020) 1.925 8.265 ( -1.891 4.285 0.155) 4.686 8.668 ( 1.268 -0.801 -0.079) 1.502 8.736 ( 0.506 1.187 -0.461) 1.370 8.932 ( -11.814 9.170 0.229) 14.957 9.000 ( -2.323 -3.155 -0.195) 3.923 9.263 ( -3.009 6.479 0.062) 7.144 9.682 ( 0.355 0.330 -0.022) 0.485 10.247 ( -11.369 12.619 0.264) 16.987 11.521 ( 4.847 -5.598 -0.483) 7.421 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -9.453 6.180 -0.310) 11.298 0.983 ( -6.946 8.449 1.192) 11.002 1.286 ( -0.339 -0.260 -1.084) 1.165 1.411 ( -2.670 1.865 0.263) 3.267 1.511 ( 5.522 -1.453 1.525) 5.910 1.569 ( 2.067 2.178 -0.937) 3.146 1.692 ( -2.292 -0.291 -0.741) 2.426 1.862 ( -1.260 -1.678 0.160) 2.104 2.098 ( -14.421 2.152 0.071) 14.581 2.230 ( 14.429 -14.627 -0.177) 20.547 2.368 ( -7.534 12.327 -0.004) 14.447 2.859 ( 6.856 -12.073 0.073) 13.884 2.861 ( 4.057 -6.451 -0.180) 7.622 3.339 ( 9.292 2.714 0.037) 9.680 4.485 ( 8.091 -10.385 -0.027) 13.165 7.594 ( 0.878 -0.640 -0.024) 1.087 7.765 ( 1.639 -4.760 -0.032) 5.034 7.948 ( 1.158 0.218 0.021) 1.178 8.325 ( -0.261 4.661 0.060) 4.669 8.645 ( 0.709 -0.867 -0.089) 1.123 8.735 ( 0.563 1.440 -0.241) 1.564 9.002 ( -2.379 -3.883 -0.050) 4.554 9.193 ( -10.887 7.244 0.075) 13.077 9.361 ( -1.598 6.332 0.090) 6.531 9.660 ( 1.969 -1.407 0.011) 2.420 10.541 ( -11.734 10.579 0.111) 15.799 11.377 ( 6.175 -6.011 -0.255) 8.621 ======================= Grid point 145 (62/171) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -10.061 5.932 0.000) 11.680 1.126 ( -0.337 4.663 0.000) 4.676 1.291 ( -0.967 0.086 0.000) 0.971 1.394 ( 1.385 -1.258 -0.000) 1.871 1.483 ( -0.536 1.530 0.000) 1.621 1.546 ( 3.744 -0.396 -0.000) 3.765 1.727 ( -3.201 0.322 0.000) 3.217 1.863 ( -0.669 -1.090 -0.000) 1.279 1.902 ( 10.102 -8.826 -0.000) 13.414 2.359 ( -17.688 -1.071 0.000) 17.720 2.574 ( 2.097 -4.676 -0.000) 5.124 2.624 ( -0.314 -0.182 -0.000) 0.363 2.796 ( 0.521 -3.710 -0.000) 3.746 3.195 ( 14.397 8.916 0.000) 16.934 4.320 ( 0.719 -9.079 -0.000) 9.107 7.602 ( -2.296 -0.128 0.000) 2.300 7.696 ( 2.206 -3.625 -0.000) 4.244 7.937 ( 0.465 0.129 0.000) 0.483 8.356 ( 1.607 4.165 0.000) 4.464 8.629 ( 0.145 -0.909 -0.000) 0.920 8.742 ( 0.338 1.806 0.000) 1.837 9.000 ( -2.256 -4.399 -0.000) 4.944 9.389 ( -6.267 4.229 0.000) 7.560 9.422 ( 0.949 5.460 0.000) 5.542 9.598 ( 2.925 -2.201 -0.000) 3.661 10.773 ( -5.923 6.166 0.000) 8.550 11.238 ( 3.427 -4.578 -0.000) 5.718 ======================= Grid point 149 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 10.891 -1.051 4.486) 11.825 0.699 ( 11.647 -2.139 3.793) 12.435 1.249 ( 7.977 -1.496 0.496) 8.132 1.394 ( 0.386 -1.032 0.715) 1.313 1.466 ( -1.368 0.242 -1.926) 2.375 1.571 ( 8.234 -0.184 1.961) 8.467 1.672 ( -1.032 -0.026 -1.808) 2.082 1.865 ( -1.965 -2.027 -1.490) 3.192 1.955 ( 2.000 -1.297 1.037) 2.599 2.206 ( 9.763 0.148 -0.594) 9.782 2.636 ( -17.610 5.104 -0.025) 18.335 2.908 ( -5.393 -0.752 0.797) 5.503 3.162 ( -14.078 1.491 0.105) 14.157 3.372 ( -2.175 2.448 0.269) 3.286 4.697 ( -15.052 1.623 0.106) 15.139 7.617 ( -3.015 0.430 0.179) 3.051 7.839 ( -5.454 -0.690 0.241) 5.503 7.976 ( -1.003 2.012 1.043) 2.479 8.229 ( 4.668 -0.880 -0.222) 4.756 8.642 ( -1.123 -0.436 0.430) 1.280 8.756 ( 0.997 0.848 -1.503) 1.993 8.968 ( 12.780 -1.720 1.210) 12.952 9.007 ( -0.288 -2.974 1.404) 3.302 9.281 ( 7.375 1.291 -0.658) 7.516 9.679 ( 0.340 0.033 -0.078) 0.351 10.231 ( 16.780 -3.711 0.417) 17.191 11.538 ( -7.315 1.343 -0.976) 7.501 ======================= Grid point 150 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 10.214 0.000 4.056) 10.990 0.607 ( 2.168 -0.000 8.369) 8.645 0.999 ( 20.281 0.000 1.951) 20.374 1.394 ( 0.064 -0.000 1.605) 1.606 1.422 ( 1.797 0.000 -5.459) 5.747 1.587 ( -4.337 -0.000 4.725) 6.413 1.682 ( -1.198 0.000 -2.254) 2.553 1.839 ( 0.674 0.000 -3.836) 3.895 1.963 ( -0.817 -0.000 1.339) 1.569 2.089 ( 5.159 0.000 -0.130) 5.160 2.901 ( -12.960 -0.000 -0.246) 12.963 2.988 ( -4.416 -0.000 0.759) 4.481 3.361 ( -9.857 -0.000 0.082) 9.858 3.412 ( -1.635 -0.000 0.249) 1.654 4.929 ( -12.674 -0.000 0.092) 12.674 7.711 ( -8.489 -0.000 0.305) 8.494 7.911 ( -4.188 -0.000 0.000) 4.188 8.019 ( -1.393 -0.000 1.333) 1.928 8.148 ( 4.177 0.000 -0.294) 4.188 8.664 ( -1.528 -0.000 0.448) 1.592 8.683 ( 11.704 0.000 1.522) 11.803 8.786 ( 4.948 0.000 -1.874) 5.291 9.025 ( -1.249 -0.000 1.227) 1.751 9.167 ( 7.018 0.000 -0.671) 7.050 9.663 ( 1.238 0.000 -0.127) 1.244 9.962 ( 15.070 0.000 0.565) 15.081 11.638 ( -5.435 -0.000 -0.690) 5.478 ======================= Grid point 152 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 5.297 3.815) 6.528 0.650 ( 0.000 18.133 3.704) 18.508 0.819 ( 0.000 -1.156 3.582) 3.763 1.297 ( -0.000 -0.085 -3.155) 3.156 1.458 ( 0.000 2.811 2.588) 3.820 1.667 ( -0.000 0.229 -0.250) 0.339 1.726 ( -0.000 1.070 -4.260) 4.392 1.816 ( 0.000 -0.187 0.983) 1.001 1.932 ( -0.000 -3.995 -0.222) 4.002 2.025 ( 0.000 1.559 0.078) 1.561 2.990 ( -0.000 -8.756 0.224) 8.759 3.079 ( -0.000 -2.698 -0.280) 2.713 3.392 ( -0.000 -5.438 0.103) 5.439 3.500 ( -0.000 -1.723 0.023) 1.724 5.081 ( -0.000 -6.910 0.052) 6.910 7.877 ( -0.000 -10.241 0.437) 10.251 7.957 ( -0.000 -2.111 -0.195) 2.120 8.068 ( -0.000 -3.122 0.529) 3.167 8.115 ( 0.000 3.800 -0.049) 3.800 8.429 ( 0.000 14.039 0.068) 14.040 8.721 ( 0.000 1.223 -0.482) 1.314 8.731 ( -0.000 -1.154 0.257) 1.182 9.009 ( -0.000 -1.860 -0.337) 1.890 9.093 ( 0.000 3.985 0.055) 3.986 9.652 ( 0.000 1.652 -0.052) 1.652 9.804 ( 0.000 10.519 0.554) 10.534 11.690 ( -0.000 -3.560 -0.277) 3.571 ======================= Grid point 153 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -3.626 7.690 1.665) 8.663 0.747 ( 3.309 -3.527 3.394) 5.908 0.979 ( -10.911 17.343 -1.010) 20.515 1.289 ( -0.991 -0.731 -1.506) 1.945 1.512 ( -0.907 3.437 1.798) 3.984 1.667 ( 0.830 0.600 1.018) 1.444 1.689 ( 2.254 0.402 -2.255) 3.213 1.797 ( 1.201 -0.065 -0.653) 1.369 1.916 ( -1.768 -2.963 0.185) 3.455 2.067 ( -2.702 3.218 0.019) 4.202 2.842 ( 6.200 -12.831 0.003) 14.251 3.029 ( 2.304 -3.427 -0.123) 4.131 3.296 ( 4.223 -8.891 0.044) 9.843 3.471 ( 1.304 -1.583 0.017) 2.051 4.953 ( 6.535 -9.173 0.014) 11.263 7.757 ( 4.946 -5.897 0.242) 7.700 7.904 ( 2.323 -4.011 -0.018) 4.635 8.006 ( 2.542 -0.591 0.014) 2.610 8.192 ( -3.112 3.247 0.107) 4.499 8.652 ( -10.213 11.566 0.577) 15.440 8.699 ( 1.634 -0.618 -0.058) 1.748 8.735 ( -0.202 0.600 -0.731) 0.967 8.998 ( -1.236 -2.469 -0.092) 2.763 9.159 ( -2.636 5.590 0.014) 6.181 9.671 ( -0.326 1.532 -0.032) 1.567 9.979 ( -7.404 12.898 0.225) 14.874 11.627 ( 2.766 -4.848 -0.192) 5.584 ======================= Grid point 154 (67/171) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -0.686 0.752 0.000) 1.018 0.798 ( -6.701 8.469 0.000) 10.799 1.272 ( -9.038 9.578 0.000) 13.169 1.284 ( -0.241 -0.830 -0.000) 0.865 1.558 ( 0.298 3.199 0.000) 3.212 1.621 ( 4.971 -1.201 -0.000) 5.114 1.670 ( -0.678 -0.527 -0.000) 0.859 1.823 ( -4.066 1.339 0.000) 4.281 1.934 ( -3.478 0.231 0.000) 3.486 2.176 ( -5.507 6.901 0.000) 8.829 2.573 ( 11.365 -15.043 -0.000) 18.853 2.949 ( 3.385 -3.985 -0.000) 5.228 3.105 ( 7.269 -12.251 -0.000) 14.246 3.427 ( 3.741 -0.165 -0.000) 3.745 4.729 ( 9.973 -10.214 -0.000) 14.275 7.646 ( 4.159 -2.180 -0.000) 4.696 7.833 ( 1.287 -5.243 -0.000) 5.399 7.970 ( 1.905 0.084 -0.000) 1.907 8.266 ( -1.874 4.261 0.000) 4.655 8.668 ( 1.280 -0.863 -0.000) 1.544 8.732 ( 0.606 0.982 0.000) 1.154 8.933 ( -12.224 9.346 0.000) 15.388 8.999 ( -2.146 -3.285 -0.000) 3.923 9.263 ( -3.080 6.441 0.000) 7.139 9.682 ( 0.341 0.349 0.000) 0.488 10.249 ( -11.326 12.595 0.000) 16.938 11.517 ( 4.880 -5.605 -0.000) 7.432 ======================= Grid point 160 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 14.129 -2.299 1.221) 14.366 0.931 ( 12.010 -2.824 2.574) 12.603 1.309 ( 0.767 0.079 1.370) 1.572 1.398 ( -0.607 -0.111 0.236) 0.661 1.457 ( 0.602 -1.424 -0.363) 1.588 1.558 ( -3.340 4.188 -1.487) 5.559 1.745 ( 3.243 -0.733 -1.290) 3.567 1.860 ( -0.578 -1.715 0.205) 1.822 2.092 ( 8.105 -10.472 1.138) 13.292 2.281 ( -19.464 7.823 0.055) 20.978 2.394 ( 15.241 0.534 -0.429) 15.256 2.841 ( -4.560 -0.996 0.650) 4.713 2.908 ( -16.919 0.728 0.101) 16.935 3.289 ( -2.297 8.783 0.191) 9.080 4.461 ( -13.414 -0.179 0.124) 13.416 7.600 ( 0.651 -0.296 -0.023) 0.716 7.759 ( -5.696 -0.419 0.479) 5.732 7.954 ( -0.541 1.432 0.614) 1.649 8.300 ( 4.293 0.644 -0.143) 4.344 8.636 ( -0.597 -0.450 0.367) 0.833 8.745 ( 0.553 1.224 -1.078) 1.722 9.016 ( -1.437 -2.958 1.452) 3.595 9.209 ( 11.393 -3.778 0.410) 12.010 9.367 ( 6.133 2.448 -0.490) 6.622 9.664 ( -1.839 0.972 -0.064) 2.081 10.529 ( 15.196 -5.003 0.363) 16.002 11.388 ( -8.580 2.202 -0.901) 8.904 ======================= Grid point 161 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 7.545 -0.092 3.724) 8.414 0.751 ( 11.307 -1.936 3.008) 11.859 1.263 ( 8.465 -1.145 1.272) 8.636 1.390 ( 1.431 1.077 -2.394) 2.990 1.428 ( 0.101 -2.673 -0.927) 2.831 1.614 ( 0.464 2.107 1.656) 2.720 1.656 ( 2.505 -1.593 0.745) 3.061 1.828 ( 0.220 -3.049 -3.012) 4.292 1.975 ( 1.940 -0.349 1.198) 2.307 2.199 ( 9.418 -0.146 -0.359) 9.426 2.635 ( -17.491 5.007 -0.029) 18.194 2.919 ( -5.253 -0.418 0.615) 5.306 3.164 ( -14.057 1.513 0.084) 14.138 3.376 ( -2.184 2.471 0.229) 3.306 4.699 ( -15.014 1.662 0.085) 15.106 7.619 ( -3.175 0.448 0.046) 3.206 7.842 ( -5.293 -0.838 0.183) 5.362 7.991 ( -1.052 2.577 0.917) 2.931 8.226 ( 4.598 -1.130 -0.144) 4.737 8.648 ( -1.079 -0.302 0.321) 1.165 8.738 ( 0.493 0.596 -0.930) 1.210 8.980 ( 13.810 -2.176 0.529) 13.990 9.027 ( -0.748 -1.911 1.221) 2.388 9.272 ( 7.347 1.020 -0.518) 7.435 9.677 ( 0.359 0.000 -0.093) 0.371 10.237 ( 16.715 -3.669 0.350) 17.117 11.525 ( -7.435 1.347 -0.757) 7.594 ======================= Grid point 162 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 9.811 0.000 2.335) 10.085 0.717 ( -1.107 -0.000 6.048) 6.148 1.009 ( 19.683 0.000 -0.591) 19.692 1.363 ( 1.392 0.000 -2.408) 2.781 1.416 ( -0.556 -0.000 1.296) 1.410 1.650 ( -1.797 -0.000 3.637) 4.057 1.651 ( -0.889 0.000 -1.707) 1.925 1.784 ( -0.140 0.000 -3.359) 3.362 1.974 ( -0.069 -0.000 0.312) 0.319 2.088 ( 4.856 0.000 -0.024) 4.856 2.898 ( -12.841 -0.000 -0.152) 12.842 2.997 ( -4.338 -0.000 0.449) 4.361 3.362 ( -9.842 -0.000 0.050) 9.842 3.415 ( -1.594 -0.000 0.155) 1.602 4.930 ( -12.673 -0.000 0.057) 12.673 7.713 ( -8.591 -0.000 0.096) 8.592 7.911 ( -4.038 -0.000 0.002) 4.038 8.036 ( -1.415 -0.000 0.847) 1.649 8.145 ( 4.179 0.000 -0.168) 4.182 8.670 ( -1.576 -0.000 0.254) 1.596 8.706 ( 10.317 0.000 1.588) 10.439 8.758 ( 6.194 0.000 -1.888) 6.475 9.040 ( -0.712 -0.000 0.765) 1.045 9.159 ( 6.922 0.000 -0.384) 6.933 9.661 ( 1.242 0.000 -0.083) 1.245 9.969 ( 14.900 0.000 0.354) 14.904 11.630 ( -5.637 -0.000 -0.407) 5.652 ======================= Grid point 164 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.000 5.051 0.000) 5.051 0.678 ( 0.000 21.033 0.000) 21.033 0.846 ( -0.000 -5.464 0.000) 5.464 1.273 ( -0.000 -0.050 0.000) 0.050 1.480 ( 0.000 3.379 0.000) 3.379 1.666 ( 0.000 1.868 0.000) 1.868 1.691 ( -0.000 -0.746 0.000) 0.746 1.823 ( -0.000 -0.162 0.000) 0.162 1.930 ( -0.000 -3.567 0.000) 3.567 2.026 ( 0.000 1.518 0.000) 1.518 2.992 ( -0.000 -8.873 0.000) 8.873 3.077 ( -0.000 -2.725 0.000) 2.725 3.392 ( -0.000 -5.444 0.000) 5.444 3.500 ( -0.000 -1.736 0.000) 1.736 5.082 ( -0.000 -6.923 0.000) 6.923 7.880 ( -0.000 -10.172 0.000) 10.172 7.956 ( -0.000 -2.127 0.000) 2.127 8.072 ( -0.000 -3.108 0.000) 3.108 8.115 ( 0.000 3.809 0.000) 3.809 8.429 ( 0.000 14.340 0.000) 14.340 8.718 ( 0.000 0.668 0.000) 0.668 8.733 ( -0.000 -1.173 0.000) 1.173 9.006 ( -0.000 -1.876 0.000) 1.876 9.093 ( 0.000 3.996 0.000) 3.996 9.652 ( 0.000 1.625 0.000) 1.625 9.809 ( 0.000 10.493 0.000) 10.493 11.688 ( -0.000 -3.595 0.000) 3.595 ======================= Grid point 171 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 7.871 -0.007 1.401) 7.995 1.143 ( 9.788 -1.420 -0.955) 9.937 1.310 ( -1.535 1.678 1.524) 2.738 1.391 ( -0.803 0.136 0.424) 0.918 1.456 ( -1.956 3.426 0.582) 3.988 1.517 ( 3.595 -3.356 -0.588) 4.953 1.758 ( 0.563 -0.816 -0.999) 1.407 1.863 ( -0.695 -0.253 0.361) 0.823 1.930 ( -13.854 6.234 -0.232) 15.194 2.345 ( 7.410 -14.690 0.500) 16.460 2.618 ( 6.104 1.005 -0.061) 6.186 2.636 ( -12.966 -0.793 0.015) 12.990 2.803 ( -2.230 -1.730 0.408) 2.852 3.162 ( 2.771 15.672 0.055) 15.915 4.316 ( -7.602 -4.878 0.128) 9.033 7.634 ( 2.642 -1.092 -0.106) 2.861 7.682 ( -4.768 -0.175 0.526) 4.800 7.941 ( -0.295 0.651 0.250) 0.757 8.344 ( 3.191 2.524 -0.094) 4.069 8.637 ( -0.096 -0.346 0.283) 0.457 8.740 ( 0.955 1.104 -0.555) 1.562 9.029 ( -1.724 -2.909 1.092) 3.553 9.387 ( 6.316 -2.547 0.083) 6.811 9.414 ( 3.872 3.522 -0.397) 5.249 9.602 ( -3.677 1.737 -0.111) 4.068 10.767 ( 8.727 -2.290 0.212) 9.025 11.241 ( -6.093 0.726 -0.409) 6.150 ======================= Grid point 172 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 13.002 -1.509 0.503) 13.099 0.967 ( 11.264 -2.141 1.991) 11.638 1.319 ( 1.073 1.225 0.118) 1.633 1.408 ( 0.745 -0.997 1.088) 1.653 1.452 ( 0.673 -2.813 -0.306) 2.908 1.538 ( -3.342 4.679 -1.138) 5.861 1.729 ( 1.893 -0.257 -0.766) 2.058 1.858 ( 0.029 -2.690 -0.233) 2.700 2.108 ( 8.243 -9.623 0.881) 12.701 2.282 ( -19.472 7.933 0.025) 21.026 2.389 ( 15.373 0.382 -0.233) 15.379 2.849 ( -4.468 -0.676 0.380) 4.535 2.909 ( -16.896 0.777 0.062) 16.914 3.292 ( -2.366 8.820 0.132) 9.133 4.463 ( -13.354 -0.118 0.077) 13.355 7.599 ( 0.672 -0.150 -0.065) 0.692 7.764 ( -5.636 -0.615 0.289) 5.677 7.962 ( -0.591 1.905 0.434) 2.042 8.298 ( 4.234 0.518 -0.069) 4.266 8.641 ( -0.521 -0.295 0.215) 0.636 8.732 ( 0.575 0.822 -0.663) 1.202 9.035 ( -1.211 -2.279 0.978) 2.760 9.213 ( 11.197 -3.716 0.167) 11.799 9.361 ( 6.083 2.239 -0.306) 6.489 9.663 ( -1.866 0.925 -0.066) 2.084 10.533 ( 15.191 -4.993 0.230) 15.993 11.377 ( -8.491 2.141 -0.548) 8.774 ======================= Grid point 173 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 5.273 0.511 1.493) 5.504 0.782 ( 11.210 -1.918 1.145) 11.430 1.284 ( 11.143 -1.597 1.242) 11.325 1.345 ( 1.216 1.974 -2.375) 3.319 1.430 ( -1.084 -3.527 0.358) 3.707 1.612 ( -2.143 2.509 -0.556) 3.346 1.692 ( 2.340 -0.533 2.370) 3.373 1.786 ( 2.337 -4.146 -2.193) 5.240 1.987 ( 2.282 -0.239 0.412) 2.331 2.195 ( 9.189 -0.294 -0.116) 9.194 2.635 ( -17.414 4.958 -0.013) 18.106 2.925 ( -5.172 -0.217 0.228) 5.182 3.165 ( -14.043 1.527 0.032) 14.126 3.379 ( -2.184 2.485 0.090) 3.309 4.700 ( -14.991 1.685 0.033) 15.085 7.619 ( -3.268 0.442 -0.002) 3.297 7.844 ( -5.189 -0.908 0.068) 5.268 8.001 ( -1.053 2.937 0.365) 3.141 8.224 ( 4.545 -1.301 -0.046) 4.728 8.651 ( -1.047 -0.222 0.117) 1.077 8.729 ( 0.101 0.505 -0.311) 0.602 8.985 ( 14.305 -2.458 0.115) 14.515 9.040 ( -0.761 -1.307 0.492) 1.591 9.266 ( 7.303 0.841 -0.193) 7.354 9.676 ( 0.362 -0.022 -0.043) 0.365 10.240 ( 16.673 -3.647 0.136) 17.067 11.517 ( -7.516 1.350 -0.283) 7.642 ======================= Grid point 174 (75/171) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 9.700 0.000 0.000) 9.700 0.767 ( -3.709 -0.000 0.000) 3.709 0.998 ( 20.946 0.000 0.000) 20.946 1.347 ( 1.198 0.000 0.000) 1.198 1.427 ( -0.862 -0.000 0.000) 0.862 1.637 ( -0.708 -0.000 0.000) 0.708 1.684 ( 0.498 0.000 0.000) 0.498 1.752 ( -1.787 -0.000 0.000) 1.787 1.976 ( 0.264 0.000 0.000) 0.264 2.088 ( 4.761 0.000 0.000) 4.761 2.897 ( -12.795 -0.000 0.000) 12.795 3.000 ( -4.308 -0.000 0.000) 4.308 3.363 ( -9.836 -0.000 0.000) 9.836 3.416 ( -1.578 -0.000 0.000) 1.578 4.930 ( -12.673 -0.000 0.000) 12.673 7.714 ( -8.618 -0.000 0.000) 8.618 7.911 ( -3.981 -0.000 0.000) 3.981 8.043 ( -1.418 -0.000 0.000) 1.418 8.144 ( 4.179 0.000 0.000) 4.179 8.672 ( -1.592 -0.000 0.000) 1.592 8.728 ( 16.833 0.000 0.000) 16.833 8.733 ( -0.383 -0.000 -0.000) 0.383 9.046 ( -0.505 -0.000 0.000) 0.505 9.156 ( 6.885 0.000 0.000) 6.885 9.661 ( 1.237 0.000 0.000) 1.237 9.972 ( 14.836 0.000 0.000) 14.836 11.627 ( -5.711 -0.000 0.000) 5.711 ======================= Grid point 182 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -5.424 8.710 0.071) 10.261 1.170 ( -7.560 6.718 0.882) 10.152 1.255 ( -0.328 1.220 -1.253) 1.779 1.417 ( 1.389 -0.391 1.345) 1.973 1.432 ( 0.742 -0.061 0.865) 1.141 1.546 ( 1.998 -0.072 -1.413) 2.449 1.771 ( -0.630 -0.740 -0.227) 0.998 1.857 ( -1.030 0.221 0.435) 1.140 1.926 ( 11.889 -8.857 0.264) 14.828 2.359 ( -18.240 -1.377 0.012) 18.291 2.585 ( 1.009 -1.732 0.177) 2.012 2.615 ( 0.950 -2.216 -0.069) 2.412 2.814 ( 0.802 -2.553 0.180) 2.682 3.192 ( 14.308 8.934 -0.016) 16.868 4.326 ( 0.800 -8.779 0.088) 8.816 7.622 ( -2.951 -0.012 0.257) 2.962 7.698 ( 3.262 -1.983 -0.010) 3.817 7.937 ( 0.139 0.167 0.044) 0.222 8.350 ( 1.515 3.956 -0.053) 4.236 8.643 ( 0.349 -0.258 0.172) 0.467 8.747 ( 1.556 1.106 -0.091) 1.911 9.032 ( -2.086 -2.777 0.681) 3.539 9.379 ( -6.947 4.502 -0.216) 8.281 9.407 ( 1.010 5.219 -0.186) 5.319 9.594 ( 2.808 -2.342 -0.105) 3.658 10.762 ( -6.544 6.555 -0.163) 9.263 11.258 ( 4.888 -5.563 0.296) 7.411 ======================= Grid point 183 (77/171) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 9.000 -1.328 -0.155) 9.099 1.142 ( 7.264 1.330 0.429) 7.398 1.320 ( 0.130 1.639 0.054) 1.645 1.401 ( -2.743 1.484 0.538) 3.165 1.473 ( 0.365 0.447 1.743) 1.836 1.501 ( 2.529 -2.114 -1.656) 3.689 1.747 ( 1.612 -0.926 -0.424) 1.907 1.867 ( -0.499 -0.700 0.153) 0.873 1.927 ( -14.244 6.484 -0.139) 15.651 2.350 ( 7.186 -14.417 0.206) 16.110 2.618 ( 7.219 1.034 -0.020) 7.293 2.637 ( -14.000 -0.798 0.010) 14.022 2.807 ( -2.191 -1.489 0.146) 2.653 3.163 ( 2.701 15.688 0.029) 15.919 4.317 ( -7.558 -4.818 0.050) 8.963 7.633 ( 2.725 -0.889 -0.058) 2.867 7.687 ( -4.756 -0.247 0.202) 4.767 7.944 ( -0.354 0.867 0.112) 0.943 8.343 ( 3.164 2.466 -0.030) 4.012 8.640 ( -0.039 -0.220 0.104) 0.247 8.734 ( 1.073 0.831 -0.234) 1.377 9.041 ( -1.594 -2.437 0.456) 2.947 9.388 ( 6.290 -2.745 0.050) 6.863 9.410 ( 3.752 3.631 -0.180) 5.224 9.601 ( -3.744 1.712 -0.056) 4.118 10.770 ( 8.563 -2.196 0.080) 8.841 11.237 ( -5.757 0.526 -0.152) 5.782 ======================= Grid point 184 (78/171) ======================= q-point: (-0.60 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 12.353 -1.157 -0.000) 12.407 0.983 ( 11.211 -1.998 -0.000) 11.387 1.319 ( 0.822 1.899 0.000) 2.069 1.420 ( 3.139 -1.331 -0.000) 3.409 1.448 ( -0.827 -3.894 -0.000) 3.981 1.529 ( -3.177 5.178 0.000) 6.075 1.724 ( 1.214 -0.011 -0.000) 1.214 1.856 ( 0.348 -3.062 -0.000) 3.082 2.115 ( 8.222 -9.330 -0.000) 12.436 2.282 ( -19.476 7.978 0.000) 21.047 2.388 ( 15.424 0.332 -0.000) 15.428 2.852 ( -4.433 -0.553 0.000) 4.468 2.910 ( -16.888 0.796 0.000) 16.907 3.293 ( -2.391 8.833 0.000) 9.151 4.463 ( -13.331 -0.095 0.000) 13.332 7.599 ( 0.674 -0.104 -0.000) 0.682 7.767 ( -5.610 -0.689 0.000) 5.652 7.966 ( -0.604 2.099 0.000) 2.184 8.298 ( 4.210 0.469 -0.000) 4.236 8.642 ( -0.491 -0.236 -0.000) 0.545 8.727 ( 0.562 0.689 0.000) 0.889 9.043 ( -1.122 -2.032 -0.000) 2.321 9.214 ( 11.157 -3.696 -0.000) 11.753 9.358 ( 6.055 2.152 0.000) 6.426 9.662 ( -1.880 0.906 0.000) 2.086 10.535 ( 15.189 -4.990 -0.000) 15.987 11.373 ( -8.459 2.118 0.000) 8.720 ======================= Grid point 193 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -9.486 10.832 -0.150) 14.399 0.879 ( -13.588 12.447 0.101) 18.428 1.268 ( 1.899 -0.503 -0.857) 2.143 1.409 ( 0.120 0.500 -0.010) 0.514 1.487 ( 1.419 -0.241 0.491) 1.521 1.608 ( 3.160 0.510 0.175) 3.206 1.767 ( -1.066 -0.657 0.206) 1.269 1.812 ( -3.464 2.182 -0.379) 4.112 2.109 ( -12.837 -0.559 0.197) 12.851 2.255 ( 14.603 -12.990 0.171) 19.545 2.376 ( -6.348 12.664 0.107) 14.166 2.858 ( 7.965 -14.254 0.002) 16.328 2.874 ( 3.302 -2.975 0.054) 4.445 3.335 ( 9.390 2.936 -0.022) 9.839 4.489 ( 8.030 -10.166 0.030) 12.954 7.597 ( -0.315 -0.256 0.022) 0.407 7.768 ( 2.685 -3.038 0.010) 4.054 7.946 ( 1.119 0.041 -0.008) 1.120 8.319 ( -0.399 4.613 -0.027) 4.630 8.655 ( 0.696 -0.236 0.054) 0.737 8.767 ( 2.395 1.265 0.192) 2.715 9.025 ( -2.522 -2.836 0.353) 3.811 9.164 ( -11.800 8.041 -0.393) 14.285 9.351 ( -1.116 6.306 -0.047) 6.404 9.656 ( 2.078 -1.586 -0.035) 2.614 10.526 ( -11.693 10.650 -0.101) 15.816 11.415 ( 6.371 -6.436 0.278) 9.060 ======================= Grid point 194 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -5.936 9.314 0.000) 11.044 1.174 ( -4.650 5.233 0.000) 7.001 1.248 ( -3.211 2.586 0.000) 4.123 1.429 ( 4.401 -1.688 -0.000) 4.713 1.439 ( -3.293 2.336 0.000) 4.037 1.533 ( 3.536 -1.311 -0.000) 3.771 1.769 ( -0.876 -0.509 -0.000) 1.013 1.861 ( -0.989 0.293 0.000) 1.031 1.928 ( 12.211 -8.909 -0.000) 15.116 2.359 ( -18.275 -1.416 0.000) 18.329 2.587 ( 0.863 -1.362 -0.000) 1.612 2.614 ( 1.120 -2.497 -0.000) 2.737 2.815 ( 0.831 -2.435 -0.000) 2.573 3.192 ( 14.285 8.933 0.000) 16.848 4.327 ( 0.808 -8.748 -0.000) 8.785 7.624 ( -3.008 -0.020 0.000) 3.008 7.697 ( 3.364 -1.814 -0.000) 3.822 7.937 ( 0.105 0.203 0.000) 0.228 8.350 ( 1.507 3.935 0.000) 4.214 8.645 ( 0.366 -0.193 -0.000) 0.414 8.746 ( 1.682 0.997 0.000) 1.956 9.037 ( -2.040 -2.581 -0.000) 3.290 9.377 ( -7.091 4.585 0.000) 8.444 9.405 ( 1.046 5.158 0.000) 5.262 9.593 ( 2.811 -2.365 -0.000) 3.674 10.760 ( -6.599 6.590 0.000) 9.326 11.260 ( 5.034 -5.664 -0.000) 7.578 ======================= Grid point 203 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -10.523 13.443 0.000) 17.071 0.627 ( -9.119 10.647 0.000) 14.019 1.300 ( 1.109 -1.223 -0.000) 1.651 1.367 ( -11.983 15.922 0.000) 19.928 1.423 ( 2.594 0.443 -0.000) 2.632 1.573 ( -1.931 -1.220 -0.000) 2.284 1.759 ( -1.974 -1.083 -0.000) 2.252 1.807 ( 4.113 -1.052 -0.000) 4.245 2.009 ( -2.976 -1.753 -0.000) 3.454 2.198 ( -4.192 8.332 0.000) 9.327 2.585 ( 11.254 -13.568 -0.000) 17.628 2.962 ( 4.148 -2.876 -0.000) 5.048 3.101 ( 7.172 -12.119 -0.000) 14.082 3.423 ( 3.989 0.129 -0.000) 3.991 4.730 ( 9.865 -10.040 -0.000) 14.075 7.623 ( 2.657 -1.609 -0.000) 3.107 7.835 ( 1.950 -3.825 -0.000) 4.293 7.971 ( 1.987 -0.022 -0.000) 1.987 8.257 ( -2.047 4.445 0.000) 4.894 8.670 ( 0.967 -0.288 -0.000) 1.009 8.801 ( 3.178 1.240 0.000) 3.411 8.876 ( -13.073 10.934 0.000) 17.043 9.013 ( -2.617 -3.032 -0.000) 4.005 9.264 ( -2.105 6.698 0.000) 7.021 9.682 ( 0.520 0.152 0.000) 0.542 10.229 ( -11.787 12.775 0.000) 17.382 11.559 ( 4.607 -5.607 -0.000) 7.256 ======================= Grid point 213 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 0.000 15.595 0.000) 15.595 0.452 ( 0.000 12.402 0.000) 12.402 1.116 ( 0.000 27.889 0.000) 27.889 1.308 ( -0.000 -0.815 -0.000) 0.815 1.515 ( -0.000 -1.476 -0.000) 1.476 1.517 ( -0.000 -2.452 -0.000) 2.452 1.691 ( -0.000 -0.085 -0.000) 0.085 1.887 ( -0.000 -1.591 -0.000) 1.591 2.067 ( -0.000 -0.238 -0.000) 0.238 2.077 ( 0.000 4.417 0.000) 4.417 2.762 ( -0.000 -14.423 -0.000) 14.423 3.039 ( -0.000 -3.983 -0.000) 3.983 3.243 ( -0.000 -9.751 -0.000) 9.751 3.448 ( -0.000 -4.119 -0.000) 4.119 4.910 ( -0.000 -10.853 -0.000) 10.853 7.693 ( -0.000 -4.230 -0.000) 4.230 7.943 ( -0.000 -1.008 -0.000) 1.008 7.950 ( -0.000 -4.480 -0.000) 4.480 8.190 ( 0.000 3.796 0.000) 3.796 8.639 ( 0.000 17.065 0.000) 17.065 8.694 ( -0.000 -0.922 -0.000) 0.922 8.841 ( -0.000 -0.442 -0.000) 0.442 9.030 ( -0.000 -0.291 -0.000) 0.291 9.179 ( 0.000 5.500 0.000) 5.500 9.688 ( 0.000 1.308 0.000) 1.308 10.024 ( 0.000 16.533 0.000) 16.533 11.631 ( -0.000 -5.856 -0.000) 5.856 ======================= Grid point 214 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -4.067 16.586 0.810) 17.097 0.617 ( -5.685 11.972 1.035) 13.293 1.299 ( -0.027 0.452 -0.433) 0.626 1.408 ( -5.032 19.688 1.568) 20.381 1.473 ( 3.066 -1.137 0.509) 3.309 1.508 ( -2.672 -2.482 -1.082) 3.804 1.717 ( -2.328 -0.788 1.017) 2.660 1.850 ( 2.452 -1.685 -0.594) 3.034 2.008 ( 3.720 1.348 -0.894) 4.056 2.194 ( -5.591 7.445 -0.452) 9.321 2.576 ( 5.274 -16.571 -0.113) 17.391 2.980 ( 2.449 -4.147 -0.191) 4.820 3.093 ( 5.973 -12.321 0.030) 13.693 3.421 ( -1.612 -4.000 -0.028) 4.313 4.757 ( 6.170 -11.444 -0.006) 13.001 7.648 ( 2.051 -1.754 0.209) 2.707 7.847 ( 3.940 -3.103 -0.037) 5.015 7.971 ( -1.082 -1.816 -0.007) 2.114 8.254 ( -3.284 3.997 0.028) 5.174 8.679 ( 0.786 -0.651 0.052) 1.022 8.828 ( -2.919 7.329 -2.215) 8.194 8.859 ( -3.309 7.874 1.853) 8.740 8.987 ( 2.855 -0.470 -0.141) 2.897 9.274 ( -4.009 5.617 -0.083) 6.901 9.693 ( 0.476 0.186 -0.003) 0.511 10.226 ( -5.684 16.381 0.153) 17.340 11.553 ( 2.239 -7.049 -0.277) 7.401 ======================= Grid point 215 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -7.728 15.440 -0.601) 17.277 0.845 ( -7.959 11.842 1.127) 14.312 1.296 ( 0.785 0.033 1.298) 1.517 1.426 ( 1.771 -0.603 -0.093) 1.873 1.485 ( -0.557 -1.768 -0.558) 1.936 1.639 ( -1.920 5.154 -0.358) 5.511 1.744 ( -1.269 -1.129 0.805) 1.879 1.800 ( 0.478 1.876 -0.802) 2.095 1.995 ( -1.672 2.224 -0.406) 2.811 2.305 ( 8.833 -15.894 -0.652) 18.196 2.385 ( -6.976 11.870 -0.296) 13.772 2.852 ( 8.313 -14.505 0.003) 16.719 2.891 ( 3.480 -4.255 -0.326) 5.506 3.420 ( -0.709 -0.521 -0.042) 0.880 4.521 ( 9.614 -12.107 -0.033) 15.459 7.607 ( 1.859 -0.394 0.151) 1.906 7.772 ( 2.093 -2.891 -0.336) 3.585 7.958 ( 0.639 -1.045 -0.010) 1.225 8.346 ( -2.607 4.789 0.076) 5.453 8.661 ( 0.779 -0.514 -0.079) 0.936 8.823 ( 2.342 1.921 -1.130) 3.233 8.959 ( -1.036 -2.331 -0.359) 2.576 9.089 ( -8.649 10.886 0.692) 13.921 9.383 ( -2.917 6.019 -0.057) 6.689 9.671 ( 1.577 -1.536 0.043) 2.202 10.481 ( -8.296 13.975 0.180) 16.253 11.430 ( 4.287 -7.891 -0.487) 8.994 ======================= Grid point 216 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -7.062 10.670 0.595) 12.810 1.091 ( -9.444 12.098 -2.574) 15.561 1.299 ( 1.216 0.610 3.096) 3.382 1.405 ( -0.139 -0.245 -1.304) 1.334 1.460 ( 2.021 -0.909 -1.242) 2.540 1.596 ( 3.983 -0.840 0.460) 4.097 1.750 ( -0.754 -1.807 0.285) 1.978 1.837 ( -1.475 0.816 -1.055) 1.989 2.004 ( 10.534 -13.126 -0.982) 16.859 2.117 ( -10.577 1.843 0.221) 10.739 2.577 ( 5.146 -9.545 -0.196) 10.846 2.620 ( -3.447 6.639 -0.064) 7.481 2.802 ( 2.270 -4.009 -0.490) 4.633 3.430 ( 3.732 7.600 -0.020) 8.467 4.264 ( 6.617 -13.881 -0.108) 15.378 7.591 ( -0.340 -0.282 -0.095) 0.452 7.715 ( 1.944 -2.290 -0.610) 3.065 7.942 ( 0.454 -0.315 0.024) 0.553 8.412 ( 0.141 4.874 0.112) 4.877 8.645 ( 0.564 -0.459 -0.295) 0.784 8.795 ( 2.579 2.050 -0.357) 3.314 8.958 ( -2.381 -3.116 -1.008) 4.050 9.312 ( -8.140 7.180 0.404) 10.862 9.467 ( -0.721 5.566 0.132) 5.614 9.616 ( 2.811 -2.971 0.130) 4.092 10.726 ( -7.775 10.681 0.222) 13.212 11.274 ( 5.364 -8.133 -0.512) 9.756 ======================= Grid point 217 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 2.744 4.265 -0.931) 5.156 1.260 ( -1.559 4.937 -2.060) 5.573 1.286 ( 3.866 -0.710 0.876) 4.027 1.389 ( 0.812 -0.362 -0.677) 1.118 1.438 ( -3.692 3.790 -0.675) 5.334 1.569 ( 4.107 -1.191 0.516) 4.307 1.747 ( -0.723 -1.792 -0.439) 1.982 1.806 ( -3.344 -2.469 0.218) 4.162 1.853 ( -0.728 -0.386 -0.362) 0.900 2.288 ( -3.218 -8.682 -0.109) 9.260 2.386 ( -5.508 -3.961 -0.270) 6.790 2.733 ( 0.913 2.897 -0.203) 3.044 2.753 ( -0.254 -1.999 -0.536) 2.085 3.431 ( 10.146 15.515 0.030) 18.538 4.118 ( -5.905 -13.032 -0.234) 14.310 7.612 ( -2.911 -0.370 -0.311) 2.951 7.660 ( 2.187 -1.530 -0.642) 2.746 7.939 ( -0.141 0.153 -0.137) 0.249 8.428 ( 2.989 3.652 0.173) 4.723 8.631 ( 0.244 -0.387 -0.472) 0.657 8.779 ( 1.774 1.781 0.497) 2.563 8.956 ( -2.293 -3.085 -1.642) 4.180 9.440 ( 0.624 1.694 0.118) 1.809 9.504 ( 2.012 4.152 0.353) 4.628 9.563 ( -1.469 -1.059 0.198) 1.822 10.867 ( 2.626 4.483 -0.006) 5.195 11.158 ( -2.160 -4.503 0.033) 4.994 ======================= Grid point 218 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 11.498 -0.253 -3.188) 11.934 1.119 ( 14.234 -1.625 0.640) 14.341 1.292 ( -0.794 0.413 -3.001) 3.131 1.394 ( -0.384 0.123 0.311) 0.510 1.468 ( 2.789 -1.431 0.228) 3.143 1.558 ( -4.132 4.916 1.022) 6.503 1.757 ( -1.842 -1.050 0.769) 2.255 1.851 ( 0.593 -0.575 0.255) 0.864 2.031 ( -18.324 3.387 -0.003) 18.634 2.109 ( 7.048 -7.727 -1.273) 10.535 2.621 ( -17.667 -0.168 -0.168) 17.669 2.636 ( 12.015 0.216 0.246) 12.020 2.756 ( -3.539 -1.525 -0.942) 3.967 3.402 ( 6.970 8.298 -0.078) 10.838 4.214 ( -15.171 -4.236 -0.250) 15.753 7.614 ( 1.653 -0.658 -0.479) 1.842 7.668 ( -4.798 -0.274 -0.359) 4.819 7.945 ( -0.675 0.303 -0.501) 0.894 8.390 ( 5.005 1.584 0.246) 5.255 8.624 ( -0.139 -0.269 -0.553) 0.631 8.779 ( 1.028 1.310 1.283) 2.102 8.950 ( -1.960 -2.289 -2.099) 3.672 9.341 ( 8.856 -1.532 -0.147) 8.989 9.482 ( 4.827 2.097 0.507) 5.287 9.630 ( -3.832 0.803 0.106) 3.917 10.722 ( 13.523 -1.469 -0.363) 13.608 11.265 ( -9.573 0.559 0.787) 9.621 ======================= Grid point 219 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 12.317 0.000 -3.424) 12.784 0.853 ( 16.838 0.000 -1.715) 16.925 1.284 ( -0.317 0.000 -1.598) 1.629 1.394 ( 0.526 0.000 -0.137) 0.544 1.458 ( -0.346 -0.000 1.268) 1.314 1.646 ( -2.961 -0.000 1.362) 3.259 1.748 ( 8.362 0.000 1.188) 8.446 1.823 ( -1.065 -0.000 -0.203) 1.084 1.970 ( 3.279 0.000 -1.714) 3.700 2.358 ( -20.336 -0.000 -0.101) 20.336 2.409 ( 14.893 0.000 0.664) 14.908 2.813 ( -5.194 -0.000 -0.972) 5.284 2.910 ( -18.105 -0.000 -0.143) 18.105 3.376 ( 1.076 0.000 -0.197) 1.094 4.452 ( -16.550 -0.000 -0.173) 16.551 7.594 ( -0.044 0.000 -0.277) 0.281 7.747 ( -5.627 -0.000 -0.289) 5.635 7.957 ( -1.150 0.000 -0.830) 1.418 8.313 ( 5.700 0.000 0.294) 5.708 8.624 ( -0.593 0.000 -0.519) 0.788 8.786 ( 0.563 -0.000 1.759) 1.847 8.951 ( -1.771 0.000 -2.074) 2.727 9.163 ( 12.462 0.000 -0.714) 12.483 9.404 ( 6.656 0.000 0.603) 6.683 9.674 ( -1.341 -0.000 0.047) 1.342 10.474 ( 16.370 0.000 -0.363) 16.374 11.423 ( -9.027 -0.000 0.965) 9.079 ======================= Grid point 224 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 0.000 13.124 4.510) 13.878 0.473 ( 0.000 11.789 2.771) 12.110 1.114 ( 0.000 25.914 -0.212) 25.914 1.333 ( 0.000 0.399 3.047) 3.073 1.487 ( -0.000 -1.925 -3.580) 4.064 1.538 ( 0.000 -2.071 2.908) 3.570 1.711 ( 0.000 -0.548 2.291) 2.356 1.880 ( -0.000 -2.008 -0.867) 2.187 2.035 ( -0.000 0.760 -3.980) 4.052 2.077 ( 0.000 4.419 0.022) 4.419 2.763 ( -0.000 -14.612 0.026) 14.612 3.036 ( -0.000 -4.031 -0.368) 4.048 3.244 ( -0.000 -9.758 0.088) 9.759 3.448 ( -0.000 -4.157 -0.041) 4.157 4.910 ( -0.000 -10.866 0.005) 10.866 7.698 ( -0.000 -4.504 0.621) 4.547 7.942 ( -0.000 -1.025 -0.242) 1.054 7.954 ( -0.000 -4.627 0.551) 4.659 8.190 ( 0.000 3.806 -0.030) 3.806 8.644 ( 0.000 16.053 0.609) 16.064 8.695 ( -0.000 -0.941 0.217) 0.966 8.833 ( -0.000 0.288 -1.021) 1.061 9.023 ( -0.000 -0.205 -0.842) 0.867 9.179 ( 0.000 5.506 0.077) 5.506 9.688 ( 0.000 1.328 -0.041) 1.328 10.027 ( 0.000 16.459 0.422) 16.464 11.627 ( -0.000 -5.867 -0.502) 5.889 ======================= Grid point 225 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -3.024 14.027 2.263) 14.526 0.646 ( -5.271 11.355 2.785) 12.825 1.289 ( -1.074 4.946 -0.685) 5.108 1.446 ( -3.378 11.726 2.765) 12.512 1.452 ( -1.394 0.137 -3.269) 3.557 1.518 ( 1.595 -1.048 2.918) 3.487 1.740 ( -1.803 -1.173 1.686) 2.733 1.834 ( 2.102 -2.241 -1.559) 3.445 1.983 ( 2.844 2.350 -2.414) 4.409 2.183 ( -5.444 7.736 -0.830) 9.496 2.572 ( 5.318 -16.886 -0.353) 17.707 2.975 ( 2.347 -4.281 -0.511) 4.908 3.094 ( 5.997 -12.344 0.079) 13.723 3.421 ( -1.672 -4.089 -0.072) 4.418 4.757 ( 6.182 -11.450 -0.009) 13.012 7.653 ( 2.084 -2.030 0.496) 2.951 7.846 ( 4.182 -3.179 -0.092) 5.253 7.971 ( -1.082 -1.966 -0.017) 2.244 8.255 ( -3.357 3.982 0.083) 5.209 8.680 ( 0.929 -0.693 0.116) 1.164 8.795 ( -2.055 5.007 -2.075) 5.796 8.881 ( -4.382 9.651 1.082) 10.654 8.983 ( 2.447 -0.519 -0.394) 2.533 9.272 ( -3.888 5.735 -0.171) 6.931 9.693 ( 0.453 0.214 -0.018) 0.502 10.231 ( -5.615 16.269 0.405) 17.215 11.545 ( 2.259 -7.017 -0.693) 7.404 ======================= Grid point 226 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -6.365 13.949 -0.953) 15.362 0.870 ( -7.496 10.938 2.207) 13.443 1.317 ( -0.052 1.118 1.268) 1.691 1.414 ( 0.434 -1.517 -1.615) 2.258 1.489 ( 1.406 -1.129 1.344) 2.249 1.632 ( -1.231 3.668 -0.612) 3.917 1.748 ( 0.280 0.950 -0.774) 1.257 1.791 ( -1.325 -1.031 0.001) 1.679 1.989 ( -2.383 3.522 -0.366) 4.268 2.292 ( 8.460 -15.780 -0.954) 17.930 2.378 ( -6.832 11.543 -0.504) 13.423 2.853 ( 8.292 -14.447 0.012) 16.658 2.884 ( 3.395 -4.545 -0.565) 5.701 3.419 ( -0.800 -0.641 -0.062) 1.027 4.521 ( 9.668 -12.087 -0.047) 15.478 7.610 ( 2.086 -0.524 0.216) 2.161 7.766 ( 2.145 -3.246 -0.521) 3.925 7.958 ( 0.532 -1.089 -0.017) 1.212 8.347 ( -2.600 4.794 0.143) 5.455 8.659 ( 0.931 -0.591 -0.173) 1.116 8.802 ( 1.205 1.852 -1.679) 2.775 8.953 ( -0.603 -2.368 -0.384) 2.473 9.101 ( -8.453 10.419 0.739) 13.437 9.382 ( -3.091 6.045 -0.063) 6.790 9.672 ( 1.522 -1.505 0.052) 2.141 10.484 ( -8.268 13.877 0.296) 16.156 11.420 ( 4.289 -7.757 -0.764) 8.897 ======================= Grid point 227 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -8.775 11.447 -3.143) 14.762 1.094 ( -6.231 9.720 1.410) 11.632 1.342 ( -0.413 1.446 1.432) 2.077 1.391 ( 0.538 -0.704 0.352) 0.953 1.439 ( 3.891 -1.907 -1.148) 4.483 1.603 ( 2.240 0.367 0.385) 2.303 1.746 ( -0.676 -1.405 -1.066) 1.889 1.823 ( -2.087 -0.253 -0.589) 2.183 1.987 ( 10.262 -13.557 -1.211) 17.046 2.121 ( -10.300 1.943 0.326) 10.487 2.574 ( 4.619 -8.402 -0.253) 9.591 2.619 ( -2.994 5.477 0.011) 6.242 2.793 ( 2.195 -4.221 -0.673) 4.805 3.429 ( 3.605 7.490 -0.013) 8.313 4.262 ( 6.730 -13.855 -0.128) 15.404 7.589 ( -0.044 -0.226 -0.150) 0.275 7.704 ( 1.689 -2.815 -0.761) 3.370 7.943 ( 0.469 -0.339 0.080) 0.585 8.414 ( 0.146 4.909 0.173) 4.914 8.639 ( 0.642 -0.557 -0.418) 0.947 8.788 ( 1.615 2.211 -0.696) 2.825 8.943 ( -1.959 -3.485 -0.857) 4.089 9.318 ( -7.974 7.008 0.361) 10.622 9.470 ( -0.933 5.532 0.182) 5.613 9.618 ( 2.760 -2.946 0.125) 4.038 10.730 ( -7.823 10.600 0.277) 13.177 11.265 ( 5.237 -7.908 -0.620) 9.506 ======================= Grid point 228 (93/171) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 4.569 3.169 -1.023) 5.654 1.214 ( -3.219 4.530 -3.240) 6.433 1.309 ( 5.547 -0.608 0.934) 5.658 1.387 ( -0.271 -0.751 0.885) 1.192 1.439 ( -4.674 4.631 0.560) 6.604 1.563 ( 5.799 -2.368 -1.300) 6.397 1.742 ( -1.864 -1.613 -0.386) 2.495 1.810 ( -4.168 -1.540 0.278) 4.452 1.846 ( -1.304 -0.511 -0.495) 1.485 2.287 ( -2.294 -9.117 -0.020) 9.401 2.382 ( -5.870 -3.732 -0.261) 6.961 2.730 ( 0.237 0.827 -0.247) 0.895 2.745 ( 0.269 -0.181 -0.518) 0.611 3.432 ( 10.145 15.488 0.052) 18.514 4.115 ( -5.863 -13.093 -0.231) 14.348 7.607 ( -2.677 -0.195 -0.388) 2.711 7.649 ( 1.714 -2.000 -0.681) 2.721 7.938 ( 0.108 0.078 -0.008) 0.133 8.431 ( 2.982 3.701 0.221) 4.758 8.624 ( 0.243 -0.489 -0.522) 0.756 8.785 ( 1.146 2.336 0.204) 2.609 8.934 ( -2.095 -3.793 -1.265) 4.514 9.442 ( 0.814 1.617 0.098) 1.813 9.510 ( 1.856 4.131 0.336) 4.541 9.565 ( -1.452 -1.022 0.120) 1.780 10.867 ( 3.093 4.154 -0.020) 5.179 11.159 ( -2.935 -4.023 0.059) 4.980 ======================= Grid point 229 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 11.812 -0.925 -2.424) 12.094 1.125 ( 15.803 -1.880 0.014) 15.915 1.254 ( -0.750 0.242 -1.908) 2.064 1.396 ( -0.596 -0.257 -0.042) 0.650 1.472 ( 0.977 -0.266 0.486) 1.123 1.574 ( -4.427 4.548 1.028) 6.429 1.763 ( -2.326 -0.794 0.055) 2.459 1.852 ( 0.171 -0.159 -0.013) 0.234 2.031 ( -18.000 3.318 -0.017) 18.303 2.093 ( 7.946 -8.377 -0.786) 11.573 2.619 ( -17.989 -0.225 -0.139) 17.991 2.640 ( 12.019 0.272 0.247) 12.024 2.743 ( -3.534 -1.694 -0.814) 4.003 3.401 ( 7.114 8.278 -0.040) 10.915 4.211 ( -15.241 -4.277 -0.203) 15.831 7.606 ( 1.223 -0.873 -0.538) 1.595 7.663 ( -4.705 -0.144 -0.276) 4.715 7.940 ( -0.311 0.188 -0.257) 0.445 8.394 ( 4.998 1.632 0.243) 5.263 8.616 ( -0.185 -0.345 -0.487) 0.625 8.796 ( 0.668 2.060 0.930) 2.357 8.922 ( -1.977 -3.118 -1.498) 3.984 9.339 ( 9.199 -1.569 -0.177) 9.333 9.489 ( 4.710 2.118 0.387) 5.179 9.631 ( -3.781 0.817 0.036) 3.868 10.717 ( 13.559 -1.494 -0.288) 13.644 11.276 ( -9.854 0.651 0.644) 9.896 ======================= Grid point 230 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 12.594 0.000 -2.112) 12.769 0.830 ( 18.550 0.000 -1.164) 18.586 1.265 ( -1.861 -0.000 -0.886) 2.061 1.392 ( 0.791 0.000 -0.124) 0.801 1.475 ( 1.219 -0.000 0.952) 1.546 1.663 ( -3.200 -0.000 0.812) 3.302 1.767 ( 7.709 0.000 1.273) 7.814 1.810 ( 0.329 0.000 -1.494) 1.530 1.954 ( 1.975 0.000 -0.536) 2.047 2.356 ( -20.426 -0.000 -0.065) 20.426 2.418 ( 14.577 0.000 0.465) 14.584 2.800 ( -5.230 -0.000 -0.629) 5.268 2.908 ( -18.136 -0.000 -0.089) 18.136 3.374 ( 1.154 0.000 -0.109) 1.159 4.450 ( -16.609 -0.000 -0.108) 16.609 7.590 ( -0.207 0.000 -0.256) 0.330 7.743 ( -5.679 -0.000 -0.177) 5.681 7.947 ( -0.848 -0.000 -0.427) 0.949 8.317 ( 5.688 0.000 0.206) 5.692 8.617 ( -0.641 -0.000 -0.344) 0.727 8.809 ( 0.234 -0.000 1.238) 1.260 8.925 ( -1.948 0.000 -1.267) 2.324 9.153 ( 13.142 0.000 -0.611) 13.156 9.412 ( 6.556 0.000 0.360) 6.566 9.674 ( -1.344 -0.000 0.005) 1.344 10.469 ( 16.384 0.000 -0.219) 16.386 11.436 ( -9.105 -0.000 0.608) 9.126 ======================= Grid point 231 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 12.732 0.000 -0.000) 12.732 0.821 ( 19.180 0.000 -0.000) 19.180 1.259 ( -2.533 -0.000 0.000) 2.533 1.391 ( 0.859 0.000 -0.000) 0.859 1.483 ( 2.332 0.000 -0.000) 2.332 1.669 ( -3.274 -0.000 0.000) 3.274 1.786 ( -1.367 -0.000 0.000) 1.367 1.787 ( 9.510 0.000 -0.000) 9.510 1.950 ( 1.291 0.000 -0.000) 1.291 2.356 ( -20.461 -0.000 0.000) 20.461 2.421 ( 14.440 0.000 -0.000) 14.440 2.795 ( -5.244 -0.000 0.000) 5.244 2.907 ( -18.148 -0.000 0.000) 18.148 3.373 ( 1.185 0.000 -0.000) 1.185 4.449 ( -16.631 -0.000 0.000) 16.631 7.588 ( -0.272 -0.000 0.000) 0.272 7.742 ( -5.698 -0.000 0.000) 5.698 7.944 ( -0.725 -0.000 0.000) 0.725 8.318 ( 5.686 0.000 -0.000) 5.686 8.614 ( -0.660 -0.000 0.000) 0.660 8.819 ( 0.021 0.000 -0.000) 0.021 8.915 ( -2.015 -0.000 0.000) 2.015 9.148 ( 13.498 0.000 -0.000) 13.498 9.415 ( 6.516 0.000 -0.000) 6.516 9.674 ( -1.346 -0.000 0.000) 1.346 10.468 ( 16.389 0.000 -0.000) 16.389 11.440 ( -9.139 -0.000 0.000) 9.139 ======================= Grid point 235 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 8.111 6.829) 10.603 0.528 ( 0.000 10.428 4.464) 11.344 1.110 ( 0.000 22.453 -0.399) 22.457 1.388 ( 0.000 2.234 4.171) 4.732 1.423 ( -0.000 -1.184 -4.778) 4.922 1.592 ( 0.000 -2.505 3.859) 4.601 1.748 ( 0.000 -1.112 2.456) 2.696 1.861 ( -0.000 -3.296 -1.730) 3.722 1.960 ( -0.000 2.919 -5.613) 6.327 2.078 ( 0.000 4.422 0.036) 4.422 2.762 ( -0.000 -15.086 -0.064) 15.086 3.028 ( -0.000 -4.156 -0.597) 4.199 3.245 ( -0.000 -9.778 0.141) 9.779 3.447 ( -0.000 -4.259 -0.063) 4.260 4.910 ( -0.000 -10.897 0.020) 10.897 7.709 ( -0.000 -5.033 0.813) 5.098 7.937 ( -0.000 -1.072 -0.389) 1.140 7.965 ( -0.000 -4.913 0.846) 4.985 8.189 ( 0.000 3.833 -0.046) 3.833 8.656 ( 0.000 13.910 0.895) 13.938 8.700 ( -0.000 -0.991 0.348) 1.050 8.812 ( -0.000 1.944 -1.852) 2.685 9.008 ( -0.000 -0.261 -1.127) 1.157 9.181 ( 0.000 5.521 0.124) 5.522 9.687 ( 0.000 1.379 -0.084) 1.381 10.035 ( 0.000 16.267 0.685) 16.281 11.618 ( -0.000 -5.941 -0.726) 5.985 ======================= Grid point 236 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -1.373 10.062 3.085) 10.614 0.695 ( -4.758 10.245 3.702) 11.887 1.280 ( -1.898 7.886 -0.630) 8.136 1.389 ( -1.556 -0.626 -4.457) 4.762 1.491 ( -2.704 8.387 2.952) 9.293 1.573 ( 2.340 -1.253 4.063) 4.853 1.755 ( 0.529 -0.566 -0.090) 0.780 1.810 ( 0.178 -3.450 -1.320) 3.698 1.943 ( 1.213 4.153 -2.558) 5.026 2.173 ( -5.034 7.803 -0.573) 9.303 2.566 ( 5.370 -17.445 -0.554) 18.261 2.966 ( 2.201 -4.488 -0.652) 5.041 3.095 ( 6.034 -12.382 0.096) 13.774 3.419 ( -1.770 -4.232 -0.085) 4.588 4.757 ( 6.207 -11.456 -0.001) 13.030 7.661 ( 2.076 -2.468 0.523) 3.267 7.844 ( 4.544 -3.236 -0.102) 5.580 7.971 ( -1.026 -2.189 -0.013) 2.418 8.257 ( -3.486 3.947 0.123) 5.268 8.682 ( 1.177 -0.765 0.084) 1.406 8.768 ( -1.492 2.946 -1.580) 3.661 8.891 ( -5.217 11.033 0.297) 12.208 8.976 ( 1.733 -0.679 -0.536) 1.937 9.270 ( -3.708 5.848 -0.129) 6.925 9.692 ( 0.414 0.258 -0.041) 0.490 10.237 ( -5.508 16.084 0.506) 17.008 11.534 ( 2.303 -6.994 -0.801) 7.407 ======================= Grid point 237 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -4.712 11.622 -0.874) 12.572 0.908 ( -7.015 10.092 2.792) 12.604 1.321 ( -0.411 1.030 -1.105) 1.566 1.393 ( -1.304 0.431 -0.591) 1.495 1.520 ( 3.368 -1.383 2.706) 4.536 1.621 ( -0.611 1.583 -0.838) 1.893 1.722 ( 0.813 1.949 -2.410) 3.204 1.798 ( -2.286 -2.875 0.550) 3.714 1.987 ( -3.040 4.890 0.109) 5.758 2.278 ( 8.501 -16.484 -0.871) 18.568 2.371 ( -7.133 11.810 -0.518) 13.806 2.853 ( 8.230 -14.319 0.034) 16.516 2.875 ( 3.340 -4.944 -0.625) 5.999 3.418 ( -0.917 -0.793 -0.055) 1.214 4.520 ( 9.739 -12.059 -0.041) 15.500 7.613 ( 2.314 -0.732 0.176) 2.434 7.758 ( 2.260 -3.624 -0.486) 4.299 7.957 ( 0.389 -1.128 -0.017) 1.193 8.350 ( -2.598 4.796 0.172) 5.458 8.656 ( 1.098 -0.708 -0.251) 1.330 8.777 ( 0.349 1.557 -1.502) 2.191 8.948 ( -0.413 -2.447 -0.281) 2.498 9.110 ( -8.413 10.162 0.434) 13.200 9.382 ( -3.291 6.050 -0.025) 6.887 9.673 ( 1.455 -1.473 0.032) 2.071 10.489 ( -8.235 13.751 0.301) 16.031 11.409 ( 4.302 -7.606 -0.738) 8.770 ======================= Grid point 238 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -8.255 10.655 -2.500) 13.708 1.120 ( -5.375 8.996 2.061) 10.680 1.322 ( -1.023 0.693 -2.790) 3.051 1.408 ( 0.865 -0.828 0.096) 1.201 1.452 ( 4.421 -1.305 3.423) 5.742 1.605 ( 1.619 1.020 -0.075) 1.915 1.718 ( -1.301 -0.580 -2.445) 2.830 1.820 ( -2.351 -1.732 0.133) 2.923 1.971 ( 9.949 -13.905 -0.976) 17.125 2.126 ( -9.980 2.000 0.307) 10.183 2.570 ( 4.120 -7.351 -0.211) 8.429 2.620 ( -2.587 4.399 0.092) 5.104 2.783 ( 2.140 -4.448 -0.610) 4.973 3.429 ( 3.469 7.374 -0.001) 8.149 4.260 ( 6.846 -13.825 -0.099) 15.428 7.587 ( 0.238 -0.214 -0.155) 0.355 7.694 ( 1.495 -3.311 -0.607) 3.684 7.944 ( 0.439 -0.334 0.098) 0.560 8.417 ( 0.149 4.956 0.174) 4.962 8.633 ( 0.692 -0.682 -0.394) 1.048 8.776 ( 0.729 2.159 -0.744) 2.397 8.934 ( -1.555 -3.662 -0.420) 4.001 9.322 ( -7.865 6.893 0.202) 10.460 9.472 ( -1.140 5.495 0.166) 5.615 9.619 ( 2.724 -2.938 0.072) 4.007 10.734 ( -7.868 10.515 0.227) 13.135 11.256 ( 5.113 -7.689 -0.491) 9.247 ======================= Grid point 239 (101/171) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -1.914 4.418 -1.610) 5.077 1.180 ( 5.660 1.474 -0.914) 5.920 1.308 ( 0.609 0.977 -0.619) 1.307 1.413 ( -0.478 0.913 1.772) 2.050 1.455 ( -0.740 1.644 1.789) 2.540 1.535 ( 5.295 -2.625 -2.265) 6.329 1.734 ( -2.698 -0.807 -0.623) 2.884 1.813 ( -4.439 -0.961 0.184) 4.546 1.840 ( -1.719 -1.149 -0.186) 2.076 2.287 ( -1.617 -9.365 0.035) 9.504 2.379 ( -6.128 -3.572 -0.158) 7.095 2.726 ( -0.417 -2.195 -0.213) 2.244 2.739 ( 0.798 2.629 -0.275) 2.761 3.433 ( 10.132 15.460 0.043) 18.484 4.112 ( -5.826 -13.143 -0.142) 14.378 7.601 ( -2.396 -0.099 -0.298) 2.417 7.641 ( 1.281 -2.365 -0.412) 2.721 7.938 ( 0.271 0.057 0.052) 0.282 8.434 ( 2.985 3.764 0.166) 4.807 8.617 ( 0.221 -0.598 -0.355) 0.730 8.785 ( 0.542 2.669 -0.089) 2.725 8.920 ( -1.834 -4.246 -0.529) 4.655 9.443 ( 0.922 1.574 0.051) 1.825 9.514 ( 1.795 4.106 0.204) 4.486 9.566 ( -1.450 -1.008 0.035) 1.766 10.867 ( 3.468 3.891 -0.019) 5.212 11.160 ( -3.562 -3.639 0.049) 5.092 ======================= Grid point 240 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 12.080 -1.322 -0.894) 12.185 1.122 ( 15.718 -1.953 -0.189) 15.840 1.236 ( 0.386 0.019 -0.587) 0.703 1.395 ( -0.744 -0.530 -0.080) 0.917 1.480 ( -0.601 0.586 0.376) 0.920 1.585 ( -4.416 4.146 0.448) 6.074 1.760 ( -2.079 -0.241 -0.284) 2.112 1.852 ( -0.358 -0.364 0.023) 0.511 2.031 ( -17.819 3.284 -0.008) 18.119 2.086 ( 8.423 -8.659 -0.226) 12.082 2.618 ( -18.106 -0.258 -0.054) 18.108 2.643 ( 11.952 0.311 0.108) 11.956 2.734 ( -3.562 -1.805 -0.327) 4.006 3.401 ( 7.202 8.265 -0.010) 10.963 4.208 ( -15.284 -4.304 -0.078) 15.879 7.600 ( 0.951 -0.999 -0.240) 1.400 7.660 ( -4.636 -0.087 -0.102) 4.638 7.937 ( -0.089 0.136 -0.065) 0.175 8.397 ( 5.002 1.671 0.105) 5.275 8.610 ( -0.225 -0.401 -0.198) 0.501 8.805 ( 0.345 2.707 0.286) 2.743 8.908 ( -1.922 -3.806 -0.479) 4.290 9.337 ( 9.462 -1.602 -0.083) 9.597 9.493 ( 4.638 2.133 0.142) 5.107 9.631 ( -3.755 0.825 0.003) 3.844 10.714 ( 13.579 -1.508 -0.108) 13.663 11.283 ( -10.030 0.705 0.247) 10.058 ======================= Grid point 246 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.000 9.085 4.643) 10.203 0.631 ( 0.000 3.260 6.881) 7.614 1.100 ( 0.000 19.981 -0.933) 20.003 1.352 ( -0.000 -0.611 -4.569) 4.610 1.451 ( 0.000 2.959 4.209) 5.145 1.643 ( 0.000 -1.366 2.815) 3.129 1.780 ( 0.000 -1.456 1.829) 2.338 1.819 ( -0.000 -2.903 -4.337) 5.218 1.892 ( -0.000 2.826 -2.761) 3.950 2.078 ( 0.000 4.425 0.036) 4.425 2.760 ( -0.000 -15.681 -0.180) 15.682 3.019 ( -0.000 -4.311 -0.599) 4.353 3.248 ( -0.000 -9.803 0.140) 9.804 3.446 ( -0.000 -4.386 -0.059) 4.386 4.911 ( -0.000 -10.931 0.030) 10.931 7.720 ( -0.000 -5.506 0.664) 5.546 7.931 ( -0.000 -1.129 -0.387) 1.193 7.977 ( -0.000 -5.136 0.820) 5.201 8.188 ( 0.000 3.865 -0.043) 3.865 8.670 ( 0.000 12.073 1.050) 12.119 8.705 ( -0.000 -1.051 0.344) 1.106 8.780 ( -0.000 3.399 -2.259) 4.081 8.992 ( -0.000 -0.589 -0.936) 1.106 9.183 ( 0.000 5.538 0.123) 5.540 9.685 ( 0.000 1.431 -0.093) 1.434 10.046 ( 0.000 16.035 0.688) 16.049 11.607 ( -0.000 -6.066 -0.658) 6.101 ======================= Grid point 247 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.313 5.971 2.787) 6.597 0.750 ( -4.413 9.245 3.348) 10.777 1.271 ( -2.531 9.387 -0.492) 9.735 1.326 ( -1.655 0.831 -3.810) 4.237 1.532 ( -1.891 4.484 2.436) 5.442 1.629 ( 2.320 -1.669 3.233) 4.315 1.731 ( 2.954 -0.121 -2.672) 3.985 1.799 ( -1.585 -2.889 -0.403) 3.320 1.916 ( -0.448 5.155 -1.003) 5.271 2.167 ( -4.669 7.712 -0.249) 9.019 2.557 ( 5.399 -18.083 -0.553) 18.880 2.957 ( 2.080 -4.687 -0.544) 5.157 3.097 ( 6.072 -12.422 0.076) 13.827 3.418 ( -1.871 -4.375 -0.066) 4.759 4.757 ( 6.239 -11.458 0.007) 13.046 7.668 ( 2.006 -2.921 0.358) 3.561 7.843 ( 4.867 -3.215 -0.072) 5.834 7.971 ( -0.895 -2.390 0.000) 2.553 8.259 ( -3.631 3.901 0.118) 5.331 8.682 ( 1.439 -0.854 -0.020) 1.674 8.749 ( -1.112 1.276 -0.914) 1.924 8.891 ( -5.824 12.293 -0.123) 13.603 8.968 ( 1.005 -0.990 -0.465) 1.485 9.269 ( -3.557 5.891 -0.049) 6.882 9.691 ( 0.374 0.297 -0.044) 0.480 10.245 ( -5.404 15.895 0.413) 16.793 11.523 ( 2.356 -6.995 -0.612) 7.406 ======================= Grid point 248 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -3.355 9.553 -0.496) 10.137 0.947 ( -6.807 9.519 2.215) 11.910 1.293 ( -0.279 -0.053 -2.064) 2.084 1.395 ( -2.129 3.030 0.437) 3.729 1.562 ( 4.058 -1.099 2.723) 5.009 1.609 ( -0.255 0.201 -0.777) 0.843 1.685 ( 0.643 0.937 -2.403) 2.658 1.803 ( -2.611 -2.780 0.180) 3.818 1.991 ( -3.283 5.573 0.335) 6.476 2.268 ( 8.844 -17.616 -0.517) 19.719 2.364 ( -7.688 12.443 -0.320) 14.630 2.854 ( 8.202 -14.274 0.065) 16.463 2.867 ( 3.283 -5.198 -0.450) 6.165 3.417 ( -1.016 -0.918 -0.030) 1.369 4.519 ( 9.800 -12.032 -0.022) 15.518 7.615 ( 2.453 -0.953 0.086) 2.633 7.752 ( 2.399 -3.869 -0.280) 4.561 7.957 ( 0.266 -1.148 -0.011) 1.179 8.352 ( -2.603 4.798 0.123) 5.460 8.652 ( 1.196 -0.830 -0.212) 1.471 8.760 ( -0.054 1.245 -0.838) 1.502 8.945 ( -0.431 -2.503 -0.150) 2.544 9.114 ( -8.475 10.085 0.156) 13.174 9.382 ( -3.443 6.034 0.004) 6.947 9.673 ( 1.404 -1.453 0.011) 2.021 10.493 ( -8.210 13.645 0.189) 15.925 11.400 ( 4.319 -7.494 -0.444) 8.661 ======================= Grid point 249 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -7.953 10.142 -0.947) 12.923 1.149 ( -4.990 9.045 1.403) 10.425 1.284 ( -0.713 -0.040 -1.824) 1.959 1.406 ( 1.888 -1.922 -0.126) 2.697 1.504 ( 3.069 0.329 2.553) 4.005 1.600 ( 2.222 0.972 -0.560) 2.489 1.685 ( -2.382 -0.429 -1.456) 2.824 1.823 ( -2.477 -2.354 0.113) 3.419 1.960 ( 9.727 -14.065 -0.371) 17.105 2.129 ( -9.762 2.010 0.127) 9.967 2.568 ( 3.844 -6.783 -0.082) 7.797 2.621 ( -2.381 3.816 0.057) 4.499 2.776 ( 2.119 -4.603 -0.252) 5.074 3.429 ( 3.381 7.299 0.002) 8.044 4.259 ( 6.920 -13.804 -0.037) 15.442 7.585 ( 0.402 -0.238 -0.069) 0.473 7.687 ( 1.407 -3.591 -0.227) 3.863 7.945 ( 0.400 -0.319 0.044) 0.514 8.419 ( 0.151 4.997 0.076) 5.000 8.628 ( 0.701 -0.780 -0.168) 1.062 8.768 ( 0.273 2.030 -0.317) 2.072 8.930 ( -1.367 -3.676 -0.107) 3.923 9.324 ( -7.821 6.845 0.059) 10.393 9.474 ( -1.267 5.472 0.068) 5.617 9.620 ( 2.711 -2.942 0.020) 4.000 10.736 ( -7.896 10.462 0.087) 13.107 11.251 ( 5.036 -7.556 -0.185) 9.082 ======================= Grid point 250 (107/171) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -3.925 4.796 0.000) 6.197 1.175 ( 8.752 0.340 -0.000) 8.759 1.302 ( -1.300 1.450 0.000) 1.947 1.425 ( -3.972 4.438 0.000) 5.956 1.483 ( 9.958 -5.876 -0.000) 11.562 1.506 ( -0.944 0.981 0.000) 1.361 1.728 ( -2.930 -0.424 0.000) 2.960 1.815 ( -4.496 -0.767 0.000) 4.560 1.839 ( -1.884 -1.490 -0.000) 2.402 2.287 ( -1.376 -9.435 -0.000) 9.534 2.378 ( -6.217 -3.517 -0.000) 7.143 2.724 ( -0.633 -3.555 -0.000) 3.611 2.737 ( 0.966 3.907 0.000) 4.024 3.433 ( 10.124 15.448 0.000) 18.470 4.111 ( -5.811 -13.163 -0.000) 14.388 7.599 ( -2.263 -0.092 0.000) 2.265 7.638 ( 1.101 -2.481 -0.000) 2.714 7.939 ( 0.325 0.056 -0.000) 0.329 8.435 ( 2.989 3.795 0.000) 4.831 8.614 ( 0.206 -0.649 -0.000) 0.681 8.784 ( 0.299 2.730 0.000) 2.746 8.917 ( -1.721 -4.349 -0.000) 4.678 9.443 ( 0.956 1.562 0.000) 1.831 9.515 ( 1.789 4.094 0.000) 4.468 9.566 ( -1.456 -1.006 -0.000) 1.769 10.867 ( 3.610 3.790 0.000) 5.234 11.160 ( -3.800 -3.494 -0.000) 5.163 ======================= Grid point 257 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 0.000 8.186 3.100) 8.753 0.720 ( 0.000 -0.726 4.687) 4.743 1.083 ( -0.000 19.397 -1.173) 19.432 1.294 ( -0.000 -0.242 -2.974) 2.984 1.508 ( 0.000 2.635 3.255) 4.188 1.673 ( -0.000 0.152 1.286) 1.295 1.748 ( 0.000 0.357 -4.412) 4.427 1.801 ( -0.000 -1.635 0.956) 1.894 1.873 ( -0.000 -0.149 -0.429) 0.454 2.079 ( 0.000 4.426 0.022) 4.426 2.758 ( -0.000 -16.195 -0.165) 16.195 3.012 ( -0.000 -4.438 -0.372) 4.453 3.249 ( -0.000 -9.823 0.086) 9.824 3.445 ( -0.000 -4.488 -0.035) 4.488 4.911 ( 0.000 -10.953 0.023) 10.953 7.728 ( 0.000 -5.834 0.360) 5.845 7.926 ( 0.000 -1.174 -0.238) 1.198 7.987 ( 0.000 -5.250 0.503) 5.274 8.188 ( 0.000 3.890 -0.025) 3.890 8.687 ( 0.000 11.659 1.263) 11.727 8.709 ( 0.000 -1.098 0.211) 1.118 8.747 ( -0.000 3.535 -2.101) 4.113 8.981 ( 0.000 -0.908 -0.515) 1.044 9.184 ( -0.000 5.552 0.075) 5.553 9.684 ( -0.000 1.460 -0.059) 1.461 10.055 ( 0.000 15.850 0.426) 15.856 11.599 ( -0.000 -6.170 -0.383) 6.182 ======================= Grid point 258 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 1.436 3.217 1.155) 3.707 0.787 ( -4.292 8.762 1.413) 9.858 1.267 ( -3.084 9.629 0.129) 10.111 1.283 ( -1.550 2.312 -1.917) 3.380 1.560 ( -1.508 1.855 1.197) 2.673 1.666 ( 2.064 -1.277 1.781) 3.011 1.692 ( 2.857 -0.249 -2.160) 3.590 1.793 ( -0.859 -1.251 -0.320) 1.551 1.910 ( -1.383 4.933 -0.041) 5.124 2.164 ( -4.513 7.654 -0.059) 8.886 2.551 ( 5.404 -18.530 -0.238) 19.304 2.951 ( 2.017 -4.808 -0.211) 5.218 3.097 ( 6.096 -12.447 0.029) 13.860 3.418 ( -1.934 -4.464 -0.024) 4.864 4.757 ( 6.261 -11.456 0.004) 13.055 7.671 ( 1.939 -3.217 0.123) 3.758 7.842 ( 5.044 -3.165 -0.025) 5.954 7.971 ( -0.776 -2.503 0.003) 2.621 8.260 ( -3.730 3.866 0.050) 5.372 8.682 ( 1.594 -0.937 -0.041) 1.850 8.740 ( -0.897 0.347 -0.278) 1.001 8.889 ( -6.160 13.115 -0.106) 14.490 8.963 ( 0.570 -1.264 -0.183) 1.398 9.268 ( -3.482 5.895 -0.007) 6.846 9.691 ( 0.350 0.317 -0.019) 0.473 10.249 ( -5.342 15.776 0.159) 16.657 11.517 ( 2.392 -7.002 -0.227) 7.402 ======================= Grid point 259 (110/171) ======================= q-point: ( 0.80 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -2.828 8.723 0.000) 9.170 0.965 ( -6.822 9.369 0.000) 11.589 1.275 ( -0.159 -0.312 -0.000) 0.350 1.399 ( -2.266 3.762 0.000) 4.392 1.591 ( 5.114 -1.826 -0.000) 5.430 1.599 ( -0.748 1.347 0.000) 1.540 1.662 ( 0.181 -0.249 -0.000) 0.308 1.805 ( -2.749 -2.569 -0.000) 3.762 1.994 ( -3.298 5.717 0.000) 6.600 2.264 ( 9.036 -18.171 -0.000) 20.294 2.362 ( -7.965 12.768 0.000) 15.049 2.854 ( 8.384 -14.611 -0.000) 16.845 2.863 ( 3.073 -4.940 -0.000) 5.818 3.417 ( -1.055 -0.966 -0.000) 1.430 4.519 ( 9.825 -12.021 -0.000) 15.525 7.615 ( 2.494 -1.052 -0.000) 2.707 7.750 ( 2.464 -3.945 -0.000) 4.651 7.957 ( 0.218 -1.153 -0.000) 1.174 8.353 ( -2.607 4.799 0.000) 5.462 8.651 ( 1.220 -0.886 -0.000) 1.508 8.753 ( -0.154 1.120 0.000) 1.130 8.944 ( -0.465 -2.521 -0.000) 2.564 9.115 ( -8.515 10.076 0.000) 13.192 9.382 ( -3.500 6.023 0.000) 6.966 9.673 ( 1.385 -1.447 -0.000) 2.003 10.494 ( -8.201 13.603 0.000) 15.884 11.396 ( 4.326 -7.453 -0.000) 8.618 ======================= Grid point 265 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 14.550 0.000 1.560) 14.633 0.904 ( 12.169 0.000 3.495) 12.661 1.311 ( 1.132 -0.000 1.941) 2.247 1.395 ( -0.046 -0.000 0.014) 0.048 1.439 ( -0.105 0.000 -1.355) 1.359 1.625 ( -2.535 0.000 -1.421) 2.906 1.733 ( 6.100 0.000 -0.787) 6.151 1.817 ( -0.171 0.000 -0.926) 0.942 2.000 ( 3.983 0.000 2.089) 4.498 2.359 ( -20.228 -0.000 0.096) 20.228 2.400 ( 15.217 0.000 -0.564) 15.227 2.827 ( -5.153 -0.000 0.924) 5.235 2.912 ( -18.066 -0.000 0.142) 18.067 3.379 ( 0.987 0.000 0.221) 1.012 4.455 ( -16.478 -0.000 0.172) 16.479 7.597 ( 0.133 -0.000 0.119) 0.179 7.751 ( -5.565 -0.000 0.291) 5.572 7.971 ( -1.479 -0.000 0.993) 1.782 8.309 ( 5.726 0.000 -0.254) 5.731 8.631 ( -0.538 -0.000 0.483) 0.723 8.760 ( 0.690 0.000 -1.547) 1.694 8.983 ( -1.544 -0.000 2.107) 2.613 9.172 ( 11.954 0.000 0.466) 11.963 9.395 ( 6.768 0.000 -0.627) 6.797 9.673 ( -1.350 -0.000 -0.099) 1.354 10.479 ( 16.350 0.000 0.373) 16.354 11.409 ( -8.951 -0.000 -0.944) 9.000 ======================= Grid point 269 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.000 7.878 0.000) 7.878 0.757 ( -0.000 -2.666 0.000) 2.666 1.073 ( 0.000 19.803 0.000) 19.803 1.271 ( -0.000 -0.117 0.000) 0.117 1.536 ( 0.000 2.262 0.000) 2.262 1.683 ( 0.000 0.038 0.000) 0.038 1.709 ( 0.000 2.073 0.000) 2.073 1.808 ( -0.000 -1.690 0.000) 1.690 1.871 ( -0.000 -0.856 0.000) 0.856 2.079 ( 0.000 4.427 0.000) 4.427 2.756 ( -0.000 -16.402 0.000) 16.402 3.009 ( -0.000 -4.486 0.000) 4.486 3.250 ( -0.000 -9.831 0.000) 9.831 3.445 ( -0.000 -4.527 0.000) 4.527 4.911 ( -0.000 -10.960 0.000) 10.960 7.730 ( -0.000 -5.955 0.000) 5.955 7.924 ( -0.000 -1.192 0.000) 1.192 7.991 ( -0.000 -5.281 0.000) 5.281 8.188 ( 0.000 3.900 0.000) 3.900 8.702 ( 0.000 15.024 0.000) 15.024 8.711 ( -0.000 -1.116 0.000) 1.116 8.726 ( 0.000 0.059 0.000) 0.059 8.977 ( -0.000 -1.029 0.000) 1.029 9.185 ( 0.000 5.557 0.000) 5.557 9.684 ( 0.000 1.468 0.000) 1.468 10.058 ( 0.000 15.781 0.000) 15.781 11.596 ( -0.000 -6.209 0.000) 6.209 ======================= Grid point 276 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 11.757 -0.076 -0.054) 11.758 1.121 ( 11.706 -0.868 2.235) 11.949 1.337 ( 0.451 1.066 2.757) 2.990 1.388 ( -0.604 -0.279 -0.200) 0.695 1.461 ( 3.124 -1.993 -0.855) 3.803 1.546 ( -3.155 4.806 -0.463) 5.768 1.745 ( -0.641 -0.740 -0.716) 1.212 1.844 ( 0.726 -1.533 -0.593) 1.796 2.031 ( -18.671 3.481 -0.016) 18.993 2.128 ( 6.121 -7.020 1.165) 9.386 2.624 ( -16.881 -0.098 0.130) 16.882 2.633 ( 11.536 0.154 -0.154) 11.538 2.769 ( -3.572 -1.359 0.720) 3.889 3.403 ( 6.825 8.317 0.087) 10.759 4.218 ( -15.101 -4.199 0.201) 15.675 7.619 ( 2.045 -0.440 0.238) 2.105 7.673 ( -4.857 -0.441 0.301) 4.887 7.954 ( -1.031 0.461 0.556) 1.259 8.387 ( 5.023 1.548 -0.164) 5.259 8.631 ( -0.108 -0.207 0.418) 0.478 8.761 ( 1.275 0.829 -1.060) 1.854 8.980 ( -1.885 -1.717 1.809) 3.126 9.343 ( 8.599 -1.512 0.071) 8.731 9.475 ( 4.942 2.080 -0.435) 5.380 9.628 ( -3.897 0.788 -0.142) 3.979 10.728 ( 13.484 -1.441 0.300) 13.565 11.254 ( -9.297 0.463 -0.630) 9.330 ======================= Grid point 277 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 12.515 -0.000 0.912) 12.548 0.948 ( 12.253 -0.000 2.236) 12.455 1.339 ( 1.640 -0.000 1.688) 2.354 1.395 ( -0.823 0.000 -0.092) 0.828 1.419 ( 1.898 0.000 -1.283) 2.291 1.607 ( -2.028 0.000 -0.903) 2.220 1.725 ( 2.749 0.000 -0.289) 2.765 1.802 ( 1.492 -0.000 -0.863) 1.724 2.026 ( 4.283 0.000 1.280) 4.470 2.360 ( -20.144 -0.000 0.057) 20.144 2.393 ( 15.440 -0.000 -0.302) 15.443 2.838 ( -5.120 0.000 0.550) 5.150 2.914 ( -18.035 -0.000 0.088) 18.035 3.382 ( 0.920 -0.000 0.149) 0.932 4.457 ( -16.420 0.000 0.105) 16.421 7.598 ( 0.249 -0.000 0.002) 0.249 7.755 ( -5.515 0.000 0.181) 5.517 7.984 ( -1.706 -0.000 0.690) 1.840 8.306 ( 5.752 0.000 -0.140) 5.754 8.637 ( -0.495 0.000 0.283) 0.570 8.742 ( 0.660 0.000 -0.877) 1.098 9.009 ( -1.352 -0.000 1.322) 1.891 9.177 ( 11.715 0.000 0.192) 11.716 9.387 ( 6.846 0.000 -0.399) 6.858 9.671 ( -1.369 0.000 -0.090) 1.372 10.484 ( 16.333 0.000 0.236) 16.334 11.397 ( -8.902 0.000 -0.574) 8.920 ======================= Grid point 287 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 3.107 2.306 -0.046) 3.869 1.256 ( 2.170 5.005 -0.487) 5.477 1.307 ( -3.594 3.392 1.556) 5.181 1.399 ( 2.871 -0.953 0.602) 3.084 1.461 ( -1.653 2.662 2.246) 3.855 1.547 ( 2.001 -0.222 -2.310) 3.064 1.755 ( -0.720 -1.039 0.544) 1.376 1.804 ( -1.628 -3.508 -0.032) 3.867 1.855 ( -0.189 -0.754 -0.009) 0.778 2.289 ( -4.025 -8.237 0.108) 9.168 2.389 ( -5.181 -4.170 0.172) 6.653 2.735 ( 1.344 3.765 0.120) 4.000 2.759 ( -0.562 -2.668 0.324) 2.746 3.431 ( 10.135 15.531 -0.007) 18.545 4.121 ( -5.937 -12.984 0.146) 14.277 7.616 ( -3.039 -0.507 0.167) 3.086 7.667 ( 2.544 -1.195 0.358) 2.833 7.941 ( -0.374 0.262 0.157) 0.483 8.426 ( 3.000 3.626 -0.087) 4.707 8.637 ( 0.228 -0.321 0.272) 0.479 8.772 ( 2.194 1.356 -0.398) 2.610 8.978 ( -2.356 -2.532 1.153) 3.646 9.439 ( 0.406 1.781 -0.085) 1.829 9.500 ( 2.204 4.162 -0.229) 4.714 9.560 ( -1.481 -1.110 -0.164) 1.858 10.867 ( 2.248 4.748 -0.004) 5.254 11.158 ( -1.533 -4.894 -0.007) 5.128 ======================= Grid point 288 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 10.656 -0.487 -0.352) 10.672 1.153 ( 11.806 0.096 1.347) 11.883 1.356 ( 0.582 2.392 0.022) 2.462 1.405 ( 0.159 -1.597 2.351) 2.846 1.440 ( 1.996 -1.792 -1.993) 3.342 1.543 ( -2.130 4.255 -0.050) 4.759 1.737 ( 0.534 -0.270 -0.233) 0.642 1.836 ( 0.623 -2.304 -0.334) 2.410 2.031 ( -18.903 3.557 -0.011) 19.234 2.140 ( 5.590 -6.622 0.459) 8.678 2.625 ( -15.604 -0.035 0.046) 15.604 2.632 ( 10.434 0.099 -0.047) 10.435 2.777 ( -3.598 -1.255 0.267) 3.820 3.404 ( 6.735 8.327 0.039) 10.710 4.220 ( -15.058 -4.177 0.077) 15.627 7.621 ( 2.262 -0.312 0.057) 2.284 7.676 ( -4.878 -0.555 0.116) 4.911 7.960 ( -1.238 0.579 0.248) 1.389 8.385 ( 5.039 1.529 -0.055) 5.266 8.635 ( -0.093 -0.173 0.154) 0.249 8.750 ( 1.392 0.614 -0.404) 1.574 8.999 ( -1.821 -1.441 0.711) 2.429 9.344 ( 8.476 -1.510 0.017) 8.609 9.470 ( 5.011 2.072 -0.173) 5.425 9.626 ( -3.945 0.777 -0.069) 4.022 10.731 ( 13.459 -1.421 0.116) 13.534 11.248 ( -9.130 0.401 -0.239) 9.141 ======================= Grid point 289 (117/171) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 11.686 0.000 0.000) 11.686 0.965 ( 12.351 0.000 0.000) 12.351 1.354 ( 1.160 0.000 0.000) 1.160 1.394 ( -1.229 -0.000 0.000) 1.229 1.407 ( 3.576 0.000 0.000) 3.576 1.600 ( -1.781 -0.000 0.000) 1.781 1.724 ( 1.057 0.000 0.000) 1.057 1.795 ( 2.389 0.000 0.000) 2.389 2.036 ( 4.380 0.000 0.000) 4.380 2.361 ( -20.113 -0.000 0.000) 20.113 2.391 ( 15.520 0.000 0.000) 15.520 2.843 ( -5.108 -0.000 0.000) 5.108 2.914 ( -18.023 -0.000 0.000) 18.023 3.383 ( 0.896 0.000 0.000) 0.896 4.457 ( -16.399 -0.000 0.000) 16.399 7.598 ( 0.286 0.000 0.000) 0.286 7.756 ( -5.495 -0.000 0.000) 5.495 7.989 ( -1.782 -0.000 0.000) 1.782 8.305 ( 5.763 0.000 0.000) 5.763 8.639 ( -0.479 -0.000 0.000) 0.479 8.735 ( 0.627 0.000 0.000) 0.627 9.019 ( -1.276 -0.000 0.000) 1.276 9.178 ( 11.653 0.000 0.000) 11.653 9.384 ( 6.873 0.000 0.000) 6.873 9.670 ( -1.379 -0.000 0.000) 1.379 10.486 ( 16.326 0.000 0.000) 16.326 11.393 ( -8.886 -0.000 0.000) 8.886 ======================= Grid point 298 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -7.790 11.288 -0.117) 13.716 1.119 ( -9.737 12.480 0.997) 15.861 1.265 ( 1.642 0.137 -1.249) 2.067 1.422 ( -0.786 1.305 0.779) 1.711 1.470 ( 1.213 -1.526 0.161) 1.956 1.591 ( 5.731 -1.749 -0.136) 5.994 1.745 ( -1.008 -1.560 -0.263) 1.876 1.849 ( -1.028 1.014 0.449) 1.512 2.014 ( 10.689 -12.829 0.375) 16.702 2.115 ( -10.728 1.764 -0.075) 10.872 2.579 ( 5.461 -10.251 0.073) 11.615 2.620 ( -3.723 7.348 0.040) 8.238 2.807 ( 2.324 -3.881 0.176) 4.527 3.430 ( 3.805 7.665 0.010) 8.558 4.265 ( 6.548 -13.895 0.042) 15.361 7.592 ( -0.526 -0.331 0.032) 0.622 7.721 ( 2.131 -1.964 0.229) 2.908 7.942 ( 0.419 -0.282 0.002) 0.505 8.411 ( 0.137 4.857 -0.037) 4.859 8.648 ( 0.505 -0.407 0.104) 0.657 8.799 ( 3.159 1.865 0.089) 3.669 8.970 ( -2.591 -2.826 0.464) 3.861 9.307 ( -8.282 7.325 -0.187) 11.058 9.466 ( -0.588 5.587 -0.047) 5.618 9.614 ( 2.850 -2.997 -0.057) 4.136 10.724 ( -7.744 10.729 -0.084) 13.232 11.279 ( 5.443 -8.275 0.198) 9.907 ======================= Grid point 299 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 4.282 0.308 -0.000) 4.293 1.254 ( -0.423 8.131 0.000) 8.142 1.318 ( -3.288 2.912 0.000) 4.392 1.404 ( 3.525 -0.954 -0.000) 3.652 1.493 ( -0.758 2.744 0.000) 2.846 1.514 ( 1.113 -0.463 -0.000) 1.206 1.760 ( -1.401 -0.506 -0.000) 1.489 1.804 ( -0.349 -3.991 -0.000) 4.006 1.854 ( 0.001 -1.006 -0.000) 1.006 2.290 ( -4.345 -8.048 -0.000) 9.146 2.391 ( -5.048 -4.255 -0.000) 6.602 2.736 ( 1.491 3.995 0.000) 4.264 2.762 ( -0.662 -2.823 -0.000) 2.899 3.431 ( 10.127 15.536 0.000) 18.545 4.122 ( -5.948 -12.965 -0.000) 14.265 7.617 ( -3.078 -0.554 0.000) 3.127 7.670 ( 2.676 -1.083 -0.000) 2.887 7.943 ( -0.469 0.317 0.000) 0.565 8.425 ( 3.004 3.618 0.000) 4.703 8.639 ( 0.220 -0.299 -0.000) 0.371 8.769 ( 2.338 1.209 0.000) 2.632 8.987 ( -2.361 -2.336 -0.000) 3.322 9.438 ( 0.303 1.822 0.000) 1.847 9.498 ( 2.294 4.163 0.000) 4.753 9.558 ( -1.484 -1.135 -0.000) 1.868 10.867 ( 2.105 4.849 0.000) 5.286 11.158 ( -1.294 -5.043 -0.000) 5.206 ======================= Grid point 308 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -8.323 11.789 0.000) 14.431 0.839 ( -8.085 16.354 0.000) 18.243 1.285 ( 1.124 -0.370 -0.000) 1.183 1.425 ( 1.698 0.041 -0.000) 1.699 1.491 ( -0.717 -2.137 -0.000) 2.254 1.642 ( -2.187 5.523 0.000) 5.941 1.737 ( -1.660 -1.245 -0.000) 2.075 1.807 ( 0.918 2.397 0.000) 2.567 1.999 ( -1.382 1.729 0.000) 2.213 2.310 ( 9.104 -16.145 -0.000) 18.535 2.387 ( -7.150 12.167 0.000) 14.112 2.852 ( 8.316 -14.519 -0.000) 16.732 2.893 ( 3.520 -4.150 -0.000) 5.442 3.420 ( -0.675 -0.475 -0.000) 0.825 4.521 ( 9.594 -12.113 -0.000) 15.452 7.606 ( 1.763 -0.352 -0.000) 1.798 7.775 ( 2.082 -2.746 -0.000) 3.447 7.958 ( 0.677 -1.024 -0.000) 1.228 8.345 ( -2.612 4.787 0.000) 5.453 8.662 ( 0.719 -0.487 -0.000) 0.868 8.832 ( 2.935 1.876 0.000) 3.484 8.962 ( -1.290 -2.357 -0.000) 2.687 9.084 ( -8.795 11.191 0.000) 14.233 9.384 ( -2.848 6.005 0.000) 6.646 9.671 ( 1.599 -1.550 -0.000) 2.226 10.479 ( -8.307 14.012 0.000) 16.289 11.434 ( 4.288 -7.946 -0.000) 9.029 ======================= Grid point 318 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.000 12.141 0.000) 12.141 0.723 ( 0.000 18.684 0.000) 18.684 1.298 ( -0.000 -0.261 -0.000) 0.261 1.451 ( -0.000 -4.730 -0.000) 4.730 1.485 ( -0.000 -1.612 -0.000) 1.612 1.555 ( 0.000 17.737 0.000) 17.737 1.689 ( -0.000 -0.103 -0.000) 0.103 1.855 ( -0.000 -1.427 -0.000) 1.427 2.116 ( 0.000 7.435 0.000) 7.435 2.184 ( 0.000 7.293 0.000) 7.293 2.452 ( -0.000 -18.963 -0.000) 18.963 2.963 ( -0.000 -4.016 -0.000) 4.016 3.037 ( -0.000 -12.384 -0.000) 12.384 3.336 ( -0.000 -8.347 -0.000) 8.347 4.706 ( -0.000 -10.577 -0.000) 10.577 7.653 ( -0.000 -0.350 -0.000) 0.350 7.865 ( -0.000 -4.510 -0.000) 4.510 7.933 ( -0.000 -0.185 -0.000) 0.185 8.252 ( 0.000 2.906 0.000) 2.906 8.680 ( -0.000 -0.541 -0.000) 0.541 8.836 ( -0.000 -0.096 -0.000) 0.096 8.942 ( 0.000 15.513 0.000) 15.513 9.030 ( 0.000 0.222 0.000) 0.222 9.278 ( 0.000 4.970 0.000) 4.970 9.695 ( -0.000 -0.769 -0.000) 0.769 10.342 ( 0.000 17.426 0.000) 17.426 11.501 ( -0.000 -8.213 -0.000) 8.213 ======================= Grid point 319 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -5.453 11.507 0.580) 12.747 0.917 ( -2.752 18.027 -0.198) 18.236 1.297 ( 0.306 0.047 0.705) 0.770 1.418 ( -1.992 -5.358 -1.074) 5.816 1.459 ( 1.714 -0.562 0.939) 2.034 1.676 ( -0.384 5.761 -0.368) 5.785 1.703 ( -1.474 -0.705 0.384) 1.679 1.839 ( 0.711 0.836 -0.713) 1.309 2.104 ( 7.206 9.964 -0.255) 12.299 2.243 ( 3.575 -19.040 -0.367) 19.376 2.376 ( -8.449 12.431 -0.133) 15.031 2.849 ( 7.618 -13.983 0.009) 15.923 2.906 ( 2.568 -3.586 -0.265) 4.418 3.314 ( -6.804 -7.869 -0.094) 10.403 4.559 ( 7.137 -9.394 0.005) 11.798 7.640 ( 2.018 0.621 0.095) 2.113 7.790 ( 3.069 -2.984 -0.159) 4.284 7.946 ( -0.830 -0.913 -0.087) 1.237 8.319 ( -4.582 2.840 0.029) 5.391 8.670 ( 0.733 -0.359 0.030) 0.817 8.845 ( -1.340 0.174 -0.915) 1.632 8.985 ( 4.436 0.188 -0.288) 4.449 9.104 ( -3.302 12.830 0.373) 13.253 9.366 ( -4.712 4.177 -0.026) 6.297 9.674 ( 0.951 -2.259 0.011) 2.451 10.526 ( -3.559 15.621 0.067) 16.022 11.405 ( 2.088 -8.887 -0.216) 9.132 ======================= Grid point 320 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -8.159 10.711 0.505) 13.474 1.119 ( -4.573 13.630 -1.432) 14.447 1.300 ( 0.773 0.299 1.924) 2.095 1.394 ( -1.981 -4.212 -1.637) 4.935 1.453 ( -0.106 0.961 0.879) 1.306 1.658 ( 3.797 -0.863 -0.742) 3.964 1.715 ( -0.894 -1.828 0.356) 2.066 1.841 ( -0.371 0.942 -1.351) 1.688 2.002 ( 5.289 -15.722 -0.958) 16.616 2.111 ( 3.229 9.521 0.223) 10.056 2.573 ( 5.698 -10.007 -0.041) 11.516 2.627 ( -3.931 7.129 -0.168) 8.143 2.821 ( 3.731 -3.025 -0.480) 4.827 3.402 ( -10.298 -1.379 -0.168) 10.391 4.316 ( 12.794 -9.198 0.023) 15.757 7.606 ( 2.374 0.203 0.161) 2.388 7.730 ( 1.692 -1.648 -0.726) 2.470 7.942 ( 0.040 -0.623 -0.054) 0.626 8.420 ( -3.993 2.967 0.093) 4.975 8.654 ( 0.824 -0.266 -0.131) 0.876 8.855 ( 0.591 1.505 -1.214) 2.022 8.923 ( 1.625 -1.574 -0.342) 2.288 9.275 ( -5.299 8.789 0.351) 10.269 9.473 ( -3.926 3.498 -0.043) 5.259 9.624 ( 2.088 -3.403 0.063) 3.993 10.727 ( -5.469 12.197 0.060) 13.368 11.272 ( 4.069 -8.827 -0.316) 9.724 ======================= Grid point 321 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -3.223 6.182 -0.586) 6.996 1.267 ( -4.411 5.817 -1.862) 7.534 1.311 ( 0.425 1.054 3.079) 3.282 1.385 ( -3.293 -2.987 -1.391) 4.658 1.470 ( 1.755 2.714 -3.156) 4.517 1.596 ( 2.078 1.988 1.905) 3.449 1.701 ( -1.179 -4.501 0.732) 4.710 1.793 ( 5.223 -7.235 -1.970) 9.138 1.843 ( -0.608 -0.276 -0.873) 1.099 2.185 ( -3.470 5.717 0.085) 6.688 2.347 ( 5.722 -10.692 -0.044) 12.127 2.741 ( 1.935 -1.429 -0.741) 2.517 2.765 ( -2.050 3.749 -0.074) 4.273 3.606 ( -10.101 9.882 -0.208) 14.132 4.008 ( 13.156 -12.044 0.013) 17.836 7.587 ( -0.015 -0.145 0.041) 0.151 7.686 ( 1.764 -0.790 -1.082) 2.215 7.938 ( -0.079 -0.101 -0.026) 0.131 8.479 ( -0.252 2.051 0.138) 2.071 8.639 ( 0.594 -0.169 -0.355) 0.713 8.830 ( 3.192 1.480 0.175) 3.522 8.910 ( -2.323 -1.816 -1.694) 3.400 9.428 ( -5.545 5.090 0.288) 7.532 9.538 ( -0.481 1.042 -0.022) 1.148 9.554 ( 2.329 -2.552 0.255) 3.465 10.913 ( -5.291 9.237 0.111) 10.646 11.117 ( 4.951 -8.452 -0.276) 9.799 ======================= Grid point 322 (125/171) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 7.235 0.000 -3.015) 7.838 1.258 ( 5.541 -0.000 3.010) 6.306 1.315 ( 0.111 0.000 -3.871) 3.872 1.385 ( 0.052 0.000 -0.167) 0.175 1.504 ( -5.729 -0.000 -0.087) 5.729 1.543 ( 7.345 0.000 0.083) 7.346 1.721 ( -0.820 0.000 -0.923) 1.235 1.794 ( -12.553 -0.000 0.868) 12.583 1.848 ( -0.405 -0.000 -0.025) 0.405 2.182 ( 6.206 0.000 -0.455) 6.223 2.365 ( -13.503 -0.000 -0.168) 13.504 2.717 ( -0.929 0.000 -0.888) 1.285 2.770 ( 3.923 0.000 0.006) 3.923 3.645 ( 17.308 0.000 0.063) 17.308 3.931 ( -17.137 -0.000 -0.322) 17.140 7.608 ( -2.797 -0.000 -0.162) 2.801 7.645 ( 1.970 0.000 -0.948) 2.186 7.941 ( -0.380 0.000 -0.213) 0.435 8.465 ( 3.318 0.000 0.195) 3.323 8.628 ( 0.268 0.000 -0.523) 0.588 8.800 ( 2.099 0.000 1.068) 2.355 8.923 ( -2.298 0.000 -2.308) 3.257 9.452 ( 6.085 0.000 0.061) 6.085 9.545 ( 2.214 0.000 0.344) 2.240 9.555 ( -5.855 -0.000 0.221) 5.859 10.914 ( 10.979 0.000 -0.335) 10.984 11.110 ( -9.502 -0.000 0.460) 9.513 ======================= Grid point 329 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 0.000 11.772 1.696) 11.893 0.729 ( 0.000 17.751 0.809) 17.769 1.304 ( 0.000 0.367 0.730) 0.817 1.433 ( -0.000 -4.059 -2.318) 4.674 1.500 ( 0.000 -1.842 1.973) 2.700 1.558 ( 0.000 16.228 0.515) 16.236 1.699 ( 0.000 -0.655 1.237) 1.400 1.845 ( -0.000 -1.453 -1.352) 1.985 2.101 ( 0.000 8.193 -1.988) 8.431 2.185 ( 0.000 7.311 0.055) 7.312 2.449 ( -0.000 -19.067 -0.390) 19.071 2.959 ( -0.000 -4.072 -0.495) 4.102 3.037 ( -0.000 -12.388 0.072) 12.389 3.335 ( -0.000 -8.408 -0.166) 8.409 4.706 ( -0.000 -10.568 0.001) 10.568 7.654 ( -0.000 -0.471 0.198) 0.511 7.867 ( -0.000 -4.667 0.214) 4.671 7.931 ( -0.000 -0.196 -0.277) 0.340 8.252 ( 0.000 2.915 -0.007) 2.915 8.681 ( -0.000 -0.555 0.178) 0.583 8.820 ( -0.000 0.606 -1.946) 2.038 8.948 ( 0.000 14.059 0.642) 14.074 9.027 ( -0.000 0.771 -0.472) 0.904 9.278 ( 0.000 4.970 0.084) 4.971 9.695 ( -0.000 -0.758 -0.006) 0.758 10.343 ( 0.000 17.344 0.237) 17.346 11.497 ( -0.000 -8.168 -0.472) 8.182 ======================= Grid point 330 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -5.203 10.967 1.624) 12.247 0.911 ( -2.187 17.033 -0.605) 17.184 1.315 ( 0.179 0.550 1.566) 1.669 1.393 ( -1.680 -4.088 -2.065) 4.879 1.482 ( 1.657 -1.486 2.150) 3.094 1.665 ( -0.402 4.755 -1.188) 4.918 1.713 ( -1.458 -1.470 0.848) 2.237 1.818 ( 0.683 0.636 -1.937) 2.151 2.097 ( 6.647 10.364 -0.537) 12.324 2.233 ( 3.618 -18.562 -0.942) 18.935 2.373 ( -8.281 12.312 -0.366) 14.842 2.849 ( 7.642 -13.985 0.025) 15.937 2.899 ( 2.506 -3.707 -0.702) 4.529 3.311 ( -6.877 -7.966 -0.245) 10.526 4.559 ( 7.147 -9.358 0.021) 11.775 7.642 ( 1.934 0.558 0.161) 2.019 7.786 ( 3.440 -3.248 -0.333) 4.743 7.943 ( -0.963 -0.988 -0.223) 1.398 8.319 ( -4.642 2.848 0.081) 5.447 8.670 ( 0.898 -0.386 0.053) 0.979 8.821 ( -1.439 0.288 -2.164) 2.615 8.977 ( 3.796 0.183 -0.681) 3.861 9.113 ( -3.124 12.378 0.667) 12.784 9.366 ( -4.603 4.216 -0.057) 6.243 9.675 ( 0.925 -2.250 0.015) 2.433 10.528 ( -3.551 15.472 0.177) 15.875 11.399 ( 2.095 -8.751 -0.553) 9.015 ======================= Grid point 331 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -7.633 10.162 0.995) 12.748 1.089 ( -3.916 13.305 -2.375) 14.071 1.328 ( -0.597 -0.456 0.881) 1.158 1.379 ( -0.787 -1.998 0.424) 2.189 1.463 ( 0.987 -0.699 0.503) 1.310 1.645 ( 2.684 -0.546 -0.918) 2.889 1.719 ( -0.731 -2.116 0.114) 2.241 1.814 ( -0.920 0.881 -2.262) 2.596 1.983 ( 5.312 -15.949 -1.551) 16.882 2.115 ( 3.153 9.294 0.375) 9.821 2.572 ( 5.330 -9.196 -0.075) 10.629 2.624 ( -3.619 6.439 -0.232) 7.390 2.811 ( 3.622 -3.128 -0.809) 4.854 3.398 ( -10.387 -1.524 -0.271) 10.502 4.316 ( 12.841 -9.106 0.046) 15.742 7.609 ( 2.525 0.340 0.194) 2.555 7.716 ( 1.799 -2.099 -1.109) 2.978 7.941 ( -0.118 -0.654 -0.072) 0.669 8.422 ( -3.998 2.990 0.170) 4.995 8.651 ( 0.993 -0.311 -0.274) 1.076 8.831 ( -0.638 1.237 -2.004) 2.440 8.917 ( 2.186 -1.436 -0.343) 2.638 9.281 ( -5.236 8.655 0.417) 10.124 9.472 ( -4.023 3.491 -0.047) 5.327 9.625 ( 2.020 -3.403 0.068) 3.958 10.728 ( -5.539 12.033 0.099) 13.247 11.266 ( 4.071 -8.609 -0.500) 9.536 ======================= Grid point 332 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -3.918 6.854 -2.860) 8.397 1.242 ( -2.769 5.243 -0.320) 5.938 1.360 ( -2.941 -0.049 1.228) 3.188 1.372 ( 0.677 -1.308 1.704) 2.252 1.423 ( 2.156 0.765 -2.882) 3.679 1.619 ( 1.392 1.786 1.049) 2.495 1.706 ( -1.103 -2.124 -0.264) 2.408 1.765 ( 4.465 -8.842 -1.548) 10.025 1.825 ( -1.664 -0.202 -1.498) 2.248 2.187 ( -3.351 5.437 0.138) 6.388 2.347 ( 5.999 -10.535 0.002) 12.123 2.729 ( 1.985 -1.580 -0.840) 2.672 2.763 ( -2.239 3.826 -0.199) 4.437 3.602 ( -10.345 9.616 -0.258) 14.126 4.008 ( 13.388 -11.818 0.030) 17.858 7.587 ( 0.259 -0.004 0.031) 0.261 7.667 ( 1.475 -1.099 -1.383) 2.301 7.938 ( -0.034 -0.126 0.057) 0.142 8.482 ( -0.247 2.069 0.221) 2.095 8.632 ( 0.684 -0.201 -0.518) 0.881 8.830 ( 1.731 2.337 -0.347) 2.929 8.885 ( -1.421 -2.754 -1.411) 3.405 9.433 ( -5.415 5.089 0.257) 7.435 9.539 ( -0.496 0.733 0.139) 0.896 9.557 ( 2.062 -2.306 0.121) 3.096 10.915 ( -5.356 9.146 0.136) 10.599 11.112 ( 4.787 -8.292 -0.331) 9.580 ======================= Grid point 333 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 8.917 0.000 -2.407) 9.236 1.257 ( -0.549 0.000 -3.355) 3.400 1.311 ( 8.125 0.000 3.604) 8.888 1.372 ( -2.392 0.000 -1.338) 2.741 1.508 ( -6.529 -0.000 0.566) 6.554 1.531 ( 6.877 0.000 -1.608) 7.062 1.715 ( -2.342 -0.000 0.088) 2.344 1.806 ( -11.281 -0.000 0.738) 11.305 1.841 ( -1.447 0.000 -0.832) 1.669 2.177 ( 7.023 0.000 -0.236) 7.027 2.362 ( -13.462 -0.000 -0.177) 13.463 2.703 ( -0.886 0.000 -0.890) 1.256 2.770 ( 3.758 0.000 -0.021) 3.758 3.646 ( 17.427 0.000 0.085) 17.427 3.926 ( -17.199 -0.000 -0.324) 17.202 7.605 ( -2.605 -0.000 -0.160) 2.610 7.629 ( 1.483 0.000 -1.098) 1.845 7.939 ( -0.067 0.000 -0.044) 0.080 8.468 ( 3.302 0.000 0.264) 3.313 8.619 ( 0.287 0.000 -0.595) 0.661 8.816 ( 1.653 -0.000 1.083) 1.976 8.888 ( -2.281 0.000 -2.235) 3.194 9.453 ( 6.184 0.000 0.057) 6.185 9.550 ( 2.036 0.000 0.311) 2.059 9.558 ( -5.771 -0.000 0.139) 5.773 10.909 ( 11.010 0.000 -0.326) 11.015 11.117 ( -9.845 -0.000 0.461) 9.856 ======================= Grid point 340 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.000 10.816 2.912) 11.201 0.746 ( 0.000 15.153 1.360) 15.214 1.316 ( 0.000 2.236 0.923) 2.419 1.388 ( -0.000 -2.733 -3.531) 4.465 1.537 ( 0.000 0.253 2.557) 2.569 1.570 ( 0.000 9.547 1.286) 9.633 1.721 ( 0.000 -1.643 1.576) 2.277 1.816 ( -0.000 -1.448 -2.413) 2.814 2.063 ( 0.000 10.261 -2.753) 10.624 2.186 ( 0.000 7.359 0.087) 7.359 2.440 ( -0.000 -19.422 -0.782) 19.437 2.949 ( -0.000 -4.216 -0.802) 4.292 3.039 ( -0.000 -12.405 0.113) 12.405 3.332 ( -0.000 -8.567 -0.267) 8.571 4.706 ( -0.000 -10.544 0.015) 10.544 7.658 ( -0.000 -0.814 0.199) 0.838 7.872 ( -0.000 -5.012 0.441) 5.031 7.926 ( -0.000 -0.226 -0.446) 0.501 8.252 ( 0.000 2.937 -0.010) 2.937 8.685 ( 0.000 -0.591 0.285) 0.656 8.786 ( -0.000 0.845 -2.417) 2.561 8.956 ( 0.000 11.730 0.378) 11.736 9.016 ( 0.000 2.349 -0.871) 2.506 9.280 ( 0.000 4.972 0.134) 4.974 9.695 ( -0.000 -0.733 -0.030) 0.734 10.348 ( 0.000 17.129 0.385) 17.133 11.488 ( -0.000 -8.067 -0.728) 8.100 ======================= Grid point 341 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -4.460 10.544 1.995) 11.621 0.901 ( -1.725 14.649 -0.552) 14.761 1.329 ( 0.251 -0.436 -0.641) 0.815 1.370 ( -1.946 -0.526 -0.085) 2.018 1.522 ( 2.130 -2.523 3.127) 4.547 1.641 ( -0.616 3.186 -2.022) 3.824 1.725 ( -1.207 -2.290 0.716) 2.686 1.784 ( 0.573 0.317 -2.604) 2.685 2.091 ( 5.779 10.927 -0.289) 12.364 2.216 ( 3.775 -18.328 -1.226) 18.753 2.366 ( -8.137 12.398 -0.476) 14.838 2.849 ( 7.668 -13.974 0.038) 15.939 2.887 ( 2.425 -3.915 -0.889) 4.690 3.307 ( -6.996 -8.125 -0.300) 10.726 4.560 ( 7.167 -9.299 0.041) 11.741 7.643 ( 1.731 0.350 0.008) 1.766 7.781 ( 4.094 -3.544 -0.230) 5.420 7.939 ( -1.168 -1.114 -0.265) 1.636 8.321 ( -4.748 2.859 0.112) 5.544 8.671 ( 1.197 -0.441 -0.014) 1.275 8.787 ( -1.629 0.210 -2.318) 2.841 8.966 ( 3.052 0.042 -0.776) 3.150 9.121 ( -3.113 12.090 0.421) 12.492 9.365 ( -4.439 4.267 -0.047) 6.158 9.675 ( 0.882 -2.244 -0.009) 2.411 10.531 ( -3.537 15.229 0.221) 15.635 11.389 ( 2.109 -8.542 -0.658) 8.823 ======================= Grid point 342 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -3.083 13.282 -2.563) 13.874 1.086 ( -7.391 8.794 1.607) 11.600 1.314 ( -1.431 -1.908 -2.019) 3.125 1.406 ( -0.410 1.235 1.886) 2.291 1.478 ( 3.124 -2.629 2.039) 4.564 1.632 ( 0.863 0.159 -0.848) 1.220 1.714 ( -0.026 -2.023 -0.971) 2.244 1.780 ( -1.813 0.294 -2.032) 2.739 1.959 ( 5.349 -16.366 -1.557) 17.289 2.121 ( 3.006 9.058 0.397) 9.552 2.570 ( 4.743 -7.956 -0.091) 9.263 2.620 ( -3.136 5.339 -0.171) 6.194 2.798 ( 3.515 -3.255 -0.856) 4.867 3.394 ( -10.501 -1.709 -0.269) 10.642 4.317 ( 12.900 -8.990 0.058) 15.724 7.611 ( 2.585 0.501 0.058) 2.634 7.700 ( 2.081 -2.649 -0.971) 3.506 7.940 ( -0.340 -0.683 -0.056) 0.765 8.424 ( -4.021 3.020 0.201) 5.033 8.646 ( 1.179 -0.385 -0.388) 1.299 8.801 ( -1.379 0.919 -1.898) 2.520 8.913 ( 2.187 -1.308 -0.252) 2.561 9.286 ( -5.212 8.551 0.272) 10.018 9.472 ( -4.145 3.498 -0.020) 5.424 9.626 ( 1.943 -3.427 0.031) 3.939 10.730 ( -5.625 11.830 0.101) 13.099 11.258 ( 4.078 -8.346 -0.486) 9.302 ======================= Grid point 343 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -3.394 7.800 -2.559) 8.883 1.244 ( -2.001 2.911 0.508) 3.569 1.335 ( -2.292 0.496 -2.645) 3.535 1.394 ( -0.517 0.512 -0.868) 1.132 1.435 ( 2.471 -1.114 4.597) 5.336 1.623 ( 3.427 0.919 -0.775) 3.632 1.692 ( -1.091 -1.629 -1.332) 2.370 1.754 ( 1.681 -7.837 -0.058) 8.015 1.802 ( -2.438 -0.621 -1.474) 2.916 2.189 ( -3.276 5.122 0.131) 6.081 2.347 ( 6.266 -10.319 0.052) 12.072 2.717 ( 2.122 -1.861 -0.666) 2.900 2.760 ( -2.516 4.025 -0.203) 4.751 3.599 ( -10.591 9.341 -0.209) 14.123 4.009 ( 13.619 -11.585 0.035) 17.880 7.588 ( 0.521 0.206 -0.012) 0.560 7.648 ( 1.271 -1.487 -1.120) 2.254 7.939 ( -0.060 -0.134 0.102) 0.179 8.486 ( -0.258 2.101 0.237) 2.130 8.624 ( 0.748 -0.251 -0.511) 0.940 8.819 ( -0.421 2.399 -1.042) 2.649 8.873 ( 0.221 -2.895 -0.288) 2.918 9.436 ( -5.332 5.080 0.142) 7.366 9.542 ( -0.745 0.902 0.253) 1.197 9.557 ( 2.067 -2.526 -0.064) 3.264 10.917 ( -5.409 9.050 0.110) 10.544 11.107 ( 4.612 -8.132 -0.260) 9.352 ======================= Grid point 344 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 10.213 0.000 -1.343) 10.301 1.216 ( -0.171 0.000 -2.023) 2.030 1.353 ( -4.416 -0.000 -1.050) 4.539 1.363 ( 10.864 0.000 3.125) 11.305 1.502 ( 4.069 0.000 -2.015) 4.540 1.516 ( -6.856 -0.000 0.454) 6.871 1.719 ( -2.644 -0.000 0.338) 2.665 1.815 ( -10.451 -0.000 0.410) 10.459 1.826 ( -2.242 -0.000 -0.928) 2.427 2.175 ( 7.573 0.000 -0.025) 7.573 2.360 ( -13.436 -0.000 -0.114) 13.436 2.692 ( -0.857 0.000 -0.560) 1.024 2.770 ( 3.622 0.000 -0.020) 3.622 3.648 ( 17.516 0.000 0.063) 17.516 3.922 ( -17.250 -0.000 -0.202) 17.251 7.604 ( -2.449 -0.000 -0.098) 2.451 7.615 ( 1.144 0.000 -0.741) 1.363 7.939 ( 0.135 0.000 0.045) 0.142 8.472 ( 3.302 0.000 0.210) 3.309 8.611 ( 0.274 0.000 -0.419) 0.501 8.830 ( 1.266 0.000 0.678) 1.436 8.861 ( -2.241 0.000 -1.348) 2.615 9.453 ( 6.303 0.000 0.032) 6.303 9.554 ( 1.882 0.000 0.177) 1.890 9.559 ( -5.715 -0.000 0.050) 5.715 10.905 ( 11.034 0.000 -0.197) 11.036 11.123 ( -10.124 -0.000 0.285) 10.128 ======================= Grid point 345 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 10.707 0.000 -0.000) 10.707 1.200 ( -0.105 -0.000 0.000) 0.105 1.345 ( -5.154 -0.000 0.000) 5.154 1.391 ( 14.271 0.000 -0.000) 14.271 1.483 ( 0.559 0.000 -0.000) 0.559 1.520 ( -6.980 -0.000 0.000) 6.980 1.722 ( -2.533 -0.000 0.000) 2.533 1.818 ( -10.166 -0.000 0.000) 10.166 1.819 ( -2.582 -0.000 0.000) 2.582 2.175 ( 7.748 0.000 -0.000) 7.748 2.359 ( -13.427 -0.000 0.000) 13.427 2.688 ( -0.845 -0.000 0.000) 0.845 2.770 ( 3.567 0.000 -0.000) 3.567 3.648 ( 17.548 0.000 -0.000) 17.548 3.921 ( -17.269 -0.000 0.000) 17.269 7.603 ( -2.390 -0.000 0.000) 2.390 7.609 ( 1.028 0.000 -0.000) 1.028 7.939 ( 0.199 0.000 -0.000) 0.199 8.474 ( 3.308 0.000 -0.000) 3.308 8.608 ( 0.259 0.000 -0.000) 0.259 8.835 ( 1.112 0.000 -0.000) 1.112 8.851 ( -2.218 -0.000 0.000) 2.218 9.454 ( 6.358 0.000 -0.000) 6.358 9.555 ( 1.821 0.000 -0.000) 1.821 9.560 ( -5.695 -0.000 0.000) 5.695 10.904 ( 11.044 0.000 -0.000) 11.044 11.125 ( -10.231 -0.000 0.000) 10.231 ======================= Grid point 351 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.000 11.637 1.490) 11.732 0.773 ( -0.000 9.636 3.239) 10.166 1.329 ( -0.000 4.950 0.781) 5.012 1.334 ( 0.000 -1.462 -3.603) 3.889 1.559 ( -0.000 6.409 0.463) 6.425 1.605 ( 0.000 -2.283 3.095) 3.846 1.743 ( 0.000 -2.427 1.282) 2.745 1.775 ( 0.000 -1.194 -3.024) 3.251 2.027 ( -0.000 12.811 -1.936) 12.957 2.187 ( 0.000 7.415 0.086) 7.416 2.426 ( 0.000 -20.033 -0.993) 20.057 2.937 ( 0.000 -4.392 -0.805) 4.465 3.040 ( 0.000 -12.429 0.110) 12.430 3.328 ( 0.000 -8.766 -0.265) 8.770 4.707 ( -0.000 -10.513 0.031) 10.513 7.660 ( -0.000 -1.301 0.063) 1.302 7.879 ( -0.000 -5.318 0.551) 5.347 7.919 ( -0.000 -0.263 -0.444) 0.516 8.252 ( 0.000 2.964 -0.007) 2.964 8.689 ( 0.000 -0.635 0.282) 0.695 8.752 ( 0.000 0.312 -2.009) 2.033 8.960 ( -0.000 9.468 0.162) 9.469 9.002 ( -0.000 4.540 -1.110) 4.674 9.282 ( -0.000 4.973 0.133) 4.975 9.694 ( 0.000 -0.709 -0.050) 0.711 10.354 ( -0.000 16.860 0.388) 16.864 11.477 ( 0.000 -7.967 -0.689) 7.996 ======================= Grid point 352 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -0.249 13.216 -0.660) 13.235 0.919 ( -4.893 8.800 2.155) 10.297 1.300 ( -0.283 -1.075 -2.333) 2.584 1.387 ( -1.297 2.557 1.609) 3.288 1.571 ( 2.479 -3.091 3.445) 5.250 1.608 ( -1.129 1.709 -2.230) 3.027 1.726 ( 0.598 -1.341 -1.354) 1.998 1.750 ( -0.928 -1.349 -1.122) 1.984 2.090 ( 5.116 11.585 0.228) 12.666 2.198 ( 3.857 -18.958 -1.198) 19.383 2.360 ( -8.091 12.715 -0.395) 15.076 2.850 ( 7.680 -13.957 0.048) 15.930 2.874 ( 2.369 -4.124 -0.748) 4.815 3.303 ( -7.116 -8.287 -0.241) 10.926 4.560 ( 7.191 -9.239 0.044) 11.707 7.642 ( 1.484 -0.017 -0.152) 1.492 7.780 ( 4.770 -3.649 -0.035) 6.006 7.936 ( -1.356 -1.248 -0.204) 1.854 8.323 ( -4.868 2.867 0.102) 5.651 8.670 ( 1.529 -0.525 -0.143) 1.623 8.757 ( -1.835 -0.010 -1.599) 2.434 8.956 ( 2.472 -0.151 -0.602) 2.549 9.125 ( -3.258 12.066 0.117) 12.499 9.364 ( -4.290 4.303 -0.018) 6.076 9.674 ( 0.837 -2.250 -0.027) 2.400 10.534 ( -3.524 14.984 0.180) 15.394 11.380 ( 2.127 -8.348 -0.513) 8.630 ======================= Grid point 353 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -2.400 12.949 -1.656) 13.273 1.112 ( -7.770 7.785 1.584) 11.112 1.282 ( -0.737 -1.332 -1.954) 2.477 1.420 ( 0.817 0.171 0.207) 0.860 1.524 ( 3.079 -2.080 3.623) 5.189 1.621 ( -0.955 0.636 -0.628) 1.308 1.687 ( 0.958 -0.557 -2.466) 2.704 1.760 ( -2.534 -1.470 -0.640) 2.999 1.940 ( 5.355 -16.726 -0.962) 17.589 2.126 ( 2.866 8.862 0.257) 9.317 2.569 ( 4.165 -6.772 -0.067) 7.951 2.619 ( -2.677 4.263 -0.068) 5.034 2.787 ( 3.457 -3.361 -0.557) 4.854 3.391 ( -10.594 -1.863 -0.166) 10.758 4.318 ( 12.950 -8.894 0.042) 15.710 7.611 ( 2.481 0.553 -0.073) 2.543 7.689 ( 2.477 -3.014 -0.489) 3.932 7.939 ( -0.536 -0.699 -0.028) 0.882 8.427 ( -4.058 3.048 0.145) 5.078 8.640 ( 1.287 -0.469 -0.325) 1.408 8.778 ( -1.649 0.696 -1.083) 2.091 8.910 ( 1.946 -1.245 -0.139) 2.314 9.289 ( -5.226 8.505 0.108) 9.983 9.472 ( -4.246 3.513 0.002) 5.511 9.626 ( 1.886 -3.464 0.001) 3.944 10.731 ( -5.695 11.664 0.063) 12.981 11.253 ( 4.086 -8.140 -0.294) 9.112 ======================= Grid point 354 (140/171) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -3.130 8.187 -0.996) 8.821 1.257 ( -2.016 0.142 1.211) 2.356 1.297 ( 0.063 2.068 -2.190) 3.013 1.388 ( -2.988 1.063 -0.117) 3.174 1.497 ( 2.168 -1.232 3.130) 4.002 1.598 ( 6.767 -1.238 -1.959) 7.153 1.678 ( -2.945 -0.176 -0.400) 2.978 1.756 ( 0.471 -6.495 0.114) 6.513 1.786 ( -2.807 -1.333 -0.612) 3.167 2.191 ( -3.250 4.907 0.053) 5.886 2.348 ( 6.422 -10.153 0.033) 12.013 2.710 ( 2.220 -2.055 -0.255) 3.036 2.758 ( -2.700 4.163 -0.084) 4.963 3.597 ( -10.743 9.166 -0.080) 14.122 4.009 ( 13.760 -11.438 0.016) 17.893 7.587 ( 0.669 0.389 -0.024) 0.774 7.636 ( 1.190 -1.784 -0.415) 2.184 7.941 ( -0.105 -0.133 0.050) 0.177 8.488 ( -0.275 2.133 0.110) 2.153 8.618 ( 0.771 -0.298 -0.226) 0.856 8.806 ( -1.245 1.911 -0.501) 2.336 8.872 ( 0.758 -2.454 0.016) 2.568 9.437 ( -5.302 5.072 0.041) 7.337 9.546 ( -1.379 1.753 0.183) 2.238 9.555 ( 2.567 -3.405 -0.115) 4.266 10.918 ( -5.435 8.989 0.042) 10.505 11.105 ( 4.499 -8.032 -0.097) 9.207 ======================= Grid point 362 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -0.000 8.525 1.016) 8.585 0.816 ( -0.000 8.648 2.276) 8.942 1.288 ( 0.000 -0.523 -2.425) 2.481 1.339 ( -0.000 7.676 0.457) 7.689 1.560 ( 0.000 2.773 -0.059) 2.773 1.650 ( 0.000 -3.067 2.757) 4.124 1.730 ( 0.000 -0.870 -2.985) 3.109 1.757 ( 0.000 -2.888 0.697) 2.971 2.008 ( -0.000 14.588 -0.647) 14.603 2.188 ( 0.000 7.460 0.053) 7.461 2.413 ( 0.000 -20.705 -0.741) 20.718 2.927 ( 0.000 -4.535 -0.500) 4.562 3.042 ( 0.000 -12.450 0.067) 12.451 3.324 ( 0.000 -8.930 -0.162) 8.931 4.707 ( -0.000 -10.485 0.027) 10.485 7.660 ( -0.000 -1.743 -0.020) 1.743 7.887 ( -0.000 -5.481 0.392) 5.495 7.913 ( -0.000 -0.293 -0.273) 0.400 8.252 ( 0.000 2.986 -0.004) 2.986 8.693 ( 0.000 -0.669 0.173) 0.691 8.729 ( 0.000 -0.303 -1.124) 1.164 8.963 ( -0.000 7.107 0.329) 7.114 8.985 ( -0.000 7.046 -1.057) 7.125 9.284 ( -0.000 4.974 0.081) 4.975 9.693 ( 0.000 -0.696 -0.040) 0.698 10.359 ( -0.000 16.641 0.241) 16.643 11.469 ( 0.000 -7.900 -0.409) 7.910 ======================= Grid point 363 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.412 11.941 -0.284) 11.951 0.944 ( -5.032 7.906 0.992) 9.424 1.273 ( -0.249 -0.373 -1.061) 1.152 1.407 ( -0.892 3.416 0.792) 3.618 1.581 ( -1.675 0.293 -1.076) 2.012 1.619 ( 2.632 -2.820 2.505) 4.599 1.692 ( 1.365 0.041 -2.229) 2.614 1.748 ( -1.523 -2.877 0.075) 3.256 2.095 ( 4.935 12.649 0.263) 13.580 2.184 ( 3.736 -20.378 -0.576) 20.725 2.355 ( -8.087 12.982 -0.152) 15.295 2.851 ( 7.730 -14.052 0.033) 16.038 2.866 ( 2.297 -4.146 -0.304) 4.750 3.300 ( -7.191 -8.389 -0.092) 11.050 4.561 ( 7.207 -9.201 0.020) 11.687 7.640 ( 1.334 -0.319 -0.094) 1.375 7.780 ( 5.174 -3.620 0.020) 6.315 7.934 ( -1.461 -1.336 -0.075) 1.981 8.324 ( -4.951 2.871 0.042) 5.724 8.667 ( 1.715 -0.609 -0.111) 1.823 8.741 ( -1.931 -0.161 -0.530) 2.009 8.949 ( 2.159 -0.281 -0.226) 2.189 9.126 ( -3.390 12.128 0.003) 12.593 9.364 ( -4.207 4.317 -0.002) 6.028 9.674 ( 0.809 -2.259 -0.015) 2.399 10.536 ( -3.517 14.833 0.069) 15.244 11.375 ( 2.140 -8.233 -0.191) 8.509 ======================= Grid point 364 (143/171) ======================= q-point: ( 0.90 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -2.175 12.799 0.000) 12.983 1.125 ( -8.284 7.408 0.000) 11.113 1.266 ( -0.008 -1.045 -0.000) 1.045 1.420 ( 1.455 -0.561 -0.000) 1.559 1.560 ( 3.082 -1.624 -0.000) 3.484 1.614 ( -2.219 0.607 0.000) 2.301 1.661 ( 1.460 0.265 -0.000) 1.484 1.756 ( -2.603 -2.190 -0.000) 3.402 1.933 ( 5.345 -16.850 -0.000) 17.677 2.128 ( 2.810 8.782 0.000) 9.221 2.569 ( 3.924 -6.285 -0.000) 7.410 2.618 ( -2.492 3.816 0.000) 4.558 2.783 ( 3.444 -3.403 -0.000) 4.841 3.390 ( -10.630 -1.923 0.000) 10.803 4.318 ( 12.969 -8.857 -0.000) 15.705 7.610 ( 2.399 0.531 0.000) 2.458 7.685 ( 2.673 -3.111 -0.000) 4.102 7.939 ( -0.614 -0.704 -0.000) 0.934 8.428 ( -4.078 3.061 0.000) 5.099 8.637 ( 1.312 -0.509 -0.000) 1.407 8.770 ( -1.695 0.620 0.000) 1.804 8.909 ( 1.824 -1.228 -0.000) 2.199 9.290 ( -5.237 8.494 0.000) 9.979 9.472 ( -4.285 3.521 0.000) 5.546 9.626 ( 1.865 -3.482 -0.000) 3.950 10.731 ( -5.722 11.601 0.000) 12.935 11.250 ( 4.090 -8.062 -0.000) 9.040 ======================= Grid point 374 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 7.264 0.000) 7.264 0.834 ( 0.000 8.252 0.000) 8.252 1.268 ( -0.000 -0.162 0.000) 0.162 1.342 ( 0.000 8.922 0.000) 8.922 1.560 ( 0.000 0.520 0.000) 0.520 1.688 ( -0.000 -3.580 0.000) 3.580 1.689 ( 0.000 0.400 0.000) 0.400 1.763 ( -0.000 -3.038 0.000) 3.038 2.004 ( 0.000 15.139 0.000) 15.139 2.189 ( 0.000 7.477 0.000) 7.477 2.407 ( -0.000 -21.020 0.000) 21.020 2.923 ( -0.000 -4.589 0.000) 4.589 3.042 ( -0.000 -12.459 0.000) 12.459 3.323 ( -0.000 -8.992 0.000) 8.992 4.707 ( -0.000 -10.474 0.000) 10.474 7.660 ( -0.000 -1.922 0.000) 1.922 7.890 ( -0.000 -5.526 0.000) 5.526 7.911 ( -0.000 -0.305 0.000) 0.305 8.252 ( 0.000 2.994 0.000) 2.994 8.694 ( -0.000 -0.682 0.000) 0.682 8.720 ( -0.000 -0.555 0.000) 0.555 8.969 ( -0.000 -0.023 -0.000) 0.023 8.973 ( 0.000 14.253 0.000) 14.253 9.284 ( 0.000 4.974 0.000) 4.974 9.693 ( -0.000 -0.693 0.000) 0.693 10.361 ( 0.000 16.557 0.000) 16.557 11.466 ( -0.000 -7.877 0.000) 7.877 ======================= Grid point 392 (145/171) ======================= q-point: ( 0.40 0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 5.128 -0.000 -1.741) 5.416 1.296 ( 5.656 0.000 3.111) 6.456 1.370 ( -1.200 0.000 3.205) 3.422 1.374 ( 1.456 -0.000 -1.640) 2.193 1.510 ( -3.942 -0.000 0.626) 3.991 1.530 ( 7.255 0.000 -1.353) 7.380 1.739 ( 0.996 0.000 1.334) 1.665 1.782 ( -13.920 0.000 -0.633) 13.935 1.843 ( 0.544 0.000 -0.547) 0.771 2.188 ( 5.492 0.000 0.373) 5.505 2.367 ( -13.542 -0.000 0.100) 13.543 2.728 ( -1.008 0.000 0.566) 1.156 2.770 ( 4.090 -0.000 -0.033) 4.090 3.645 ( 17.205 0.000 -0.028) 17.205 3.935 ( -17.086 0.000 0.198) 17.087 7.610 ( -2.952 -0.000 0.101) 2.953 7.656 ( 2.413 0.000 0.500) 2.464 7.944 ( -0.679 0.000 0.227) 0.716 8.463 ( 3.336 0.000 -0.095) 3.337 8.634 ( 0.236 -0.000 0.297) 0.379 8.787 ( 2.437 -0.000 -0.653) 2.523 8.952 ( -2.285 0.000 1.468) 2.716 9.451 ( 6.042 -0.000 -0.038) 6.042 9.541 ( 2.347 0.000 -0.231) 2.358 9.552 ( -5.937 -0.000 -0.184) 5.940 10.918 ( 10.954 -0.000 0.211) 10.956 11.104 ( -9.227 0.000 -0.284) 9.231 ======================= Grid point 403 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -0.940 3.972 0.629) 4.130 1.276 ( -3.534 5.954 -1.449) 7.074 1.284 ( -3.949 3.446 0.465) 5.262 1.405 ( -2.862 -4.893 0.927) 5.744 1.509 ( -1.118 7.142 1.882) 7.470 1.568 ( 5.297 0.423 -1.563) 5.539 1.691 ( -1.036 -6.180 -0.443) 6.282 1.816 ( 4.930 -6.366 0.878) 8.100 1.851 ( 0.281 -0.376 0.192) 0.507 2.185 ( -3.566 5.874 -0.025) 6.872 2.348 ( 5.548 -10.763 0.027) 12.109 2.749 ( 2.165 -1.703 0.338) 2.775 2.765 ( -2.194 4.065 -0.032) 4.619 3.608 ( -9.951 10.041 0.079) 14.137 4.008 ( 13.011 -12.181 -0.002) 17.823 7.586 ( -0.187 -0.211 -0.018) 0.282 7.698 ( 1.987 -0.629 0.399) 2.122 7.939 ( -0.148 -0.076 0.030) 0.169 8.478 ( -0.261 2.044 -0.045) 2.061 8.642 ( 0.531 -0.155 0.124) 0.567 8.828 ( 3.734 1.078 -0.111) 3.888 8.929 ( -2.498 -1.366 0.717) 2.936 9.425 ( -5.652 5.087 -0.133) 7.605 9.539 ( -0.836 1.890 0.078) 2.068 9.550 ( 2.877 -3.354 -0.172) 4.422 10.912 ( -5.245 9.292 -0.042) 10.670 11.119 ( 5.047 -8.550 0.107) 9.929 ======================= Grid point 404 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 4.916 -0.000 -0.000) 4.916 1.336 ( 9.101 -0.000 -0.000) 9.101 1.344 ( -2.269 -0.000 0.000) 2.269 1.397 ( -2.344 -0.000 0.000) 2.344 1.516 ( -2.913 -0.000 0.000) 2.913 1.516 ( 7.920 -0.000 -0.000) 7.920 1.751 ( 1.666 -0.000 -0.000) 1.666 1.777 ( -14.572 0.000 0.000) 14.572 1.837 ( 0.929 -0.000 -0.000) 0.929 2.191 ( 5.218 0.000 -0.000) 5.218 2.367 ( -13.559 -0.000 0.000) 13.559 2.732 ( -1.072 -0.000 0.000) 1.072 2.770 ( 4.185 -0.000 -0.000) 4.185 3.644 ( 17.164 -0.000 -0.000) 17.164 3.937 ( -17.067 -0.000 0.000) 17.067 7.611 ( -3.011 -0.000 0.000) 3.011 7.660 ( 2.591 -0.000 -0.000) 2.591 7.946 ( -0.801 -0.000 0.000) 0.801 8.462 ( 3.343 -0.000 -0.000) 3.343 8.636 ( 0.220 -0.000 -0.000) 0.220 8.782 ( 2.561 -0.000 -0.000) 2.561 8.964 ( -2.274 0.000 0.000) 2.274 9.451 ( 6.034 -0.000 -0.000) 6.034 9.539 ( 2.395 -0.000 -0.000) 2.395 9.551 ( -5.973 -0.000 0.000) 5.973 10.920 ( 10.944 0.000 -0.000) 10.944 11.102 ( -9.122 -0.000 0.000) 9.122 ======================= Grid point 414 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -8.367 10.969 0.000) 13.796 1.129 ( -4.891 13.628 0.000) 14.479 1.284 ( 1.076 0.166 -0.000) 1.088 1.411 ( -3.165 -5.978 -0.000) 6.764 1.442 ( 0.576 2.949 0.000) 3.005 1.664 ( 4.150 -0.824 -0.000) 4.231 1.712 ( -0.962 -1.790 -0.000) 2.032 1.852 ( -0.162 0.954 0.000) 0.968 2.010 ( 5.290 -15.683 -0.000) 16.551 2.109 ( 3.241 9.634 0.000) 10.164 2.573 ( 5.814 -10.274 -0.000) 11.806 2.628 ( -4.032 7.347 0.000) 8.381 2.824 ( 3.777 -2.986 -0.000) 4.815 3.403 ( -10.264 -1.324 0.000) 10.349 4.316 ( 12.777 -9.232 -0.000) 15.764 7.605 ( 2.299 0.154 -0.000) 2.304 7.736 ( 1.673 -1.479 -0.000) 2.233 7.942 ( 0.094 -0.608 -0.000) 0.615 8.419 ( -3.993 2.959 0.000) 4.970 8.655 ( 0.757 -0.252 -0.000) 0.798 8.865 ( 1.319 1.583 0.000) 2.061 8.926 ( 1.169 -1.615 -0.000) 1.994 9.272 ( -5.336 8.857 0.000) 10.340 9.473 ( -3.889 3.504 0.000) 5.235 9.624 ( 2.115 -3.408 -0.000) 4.011 10.726 ( -5.443 12.260 0.000) 13.414 11.275 ( 4.069 -8.911 -0.000) 9.796 ======================= Grid point 424 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.000 10.263 0.000) 10.263 1.061 ( 0.000 16.649 0.000) 16.649 1.297 ( 0.000 0.093 0.000) 0.093 1.347 ( -0.000 -6.258 -0.000) 6.258 1.474 ( 0.000 1.385 0.000) 1.385 1.687 ( -0.000 -0.075 -0.000) 0.075 1.713 ( 0.000 1.688 0.000) 1.688 1.852 ( 0.000 0.801 0.000) 0.801 2.088 ( -0.000 -19.772 -0.000) 19.772 2.342 ( 0.000 9.745 0.000) 9.745 2.374 ( 0.000 18.594 0.000) 18.594 2.801 ( -0.000 -12.833 -0.000) 12.833 2.901 ( -0.000 -2.499 -0.000) 2.499 3.135 ( -0.000 -13.407 -0.000) 13.407 4.548 ( -0.000 -6.177 -0.000) 6.177 7.669 ( 0.000 1.776 0.000) 1.776 7.789 ( -0.000 -3.696 -0.000) 3.696 7.933 ( 0.000 0.108 0.000) 0.108 8.294 ( 0.000 1.541 0.000) 1.541 8.673 ( -0.000 -0.228 -0.000) 0.228 8.836 ( 0.000 0.048 0.000) 0.048 9.035 ( 0.000 0.249 0.000) 0.249 9.194 ( 0.000 11.301 0.000) 11.301 9.352 ( 0.000 2.894 0.000) 2.894 9.657 ( -0.000 -3.175 -0.000) 3.175 10.639 ( 0.000 14.071 0.000) 14.071 11.339 ( -0.000 -8.868 -0.000) 8.868 ======================= Grid point 425 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -6.017 7.541 0.201) 9.650 1.195 ( -1.075 9.287 -0.351) 9.356 1.298 ( 0.058 -1.026 0.394) 1.100 1.310 ( -1.747 -4.312 0.522) 4.682 1.495 ( 0.832 5.651 -0.296) 5.720 1.686 ( 0.208 -1.418 -0.331) 1.471 1.705 ( 1.582 -0.067 0.041) 1.584 1.853 ( -0.013 -0.127 -1.260) 1.266 1.911 ( 1.055 -14.102 -0.167) 14.142 2.332 ( 9.112 13.400 0.035) 16.205 2.576 ( 6.035 -8.707 0.003) 10.594 2.630 ( -3.155 5.487 -0.109) 6.331 2.858 ( 2.863 -1.406 -0.315) 3.205 3.150 ( -14.337 -8.076 -0.140) 16.456 4.436 ( 8.586 -3.532 0.028) 9.284 7.659 ( 3.282 1.049 0.188) 3.451 7.744 ( 1.251 -1.722 -0.420) 2.169 7.936 ( -0.192 -0.216 -0.113) 0.310 8.355 ( -5.496 1.012 0.034) 5.588 8.665 ( 0.738 -0.109 0.018) 0.746 8.847 ( -1.697 0.047 -0.882) 1.913 8.988 ( 4.988 0.128 -0.283) 4.998 9.294 ( -1.855 6.697 0.198) 6.952 9.420 ( -5.053 1.539 -0.018) 5.282 9.619 ( 1.104 -2.899 0.010) 3.102 10.767 ( -2.469 9.027 -0.041) 9.358 11.249 ( 2.123 -6.606 -0.106) 6.939 ======================= Grid point 426 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -9.711 -0.000 -0.121) 9.712 1.255 ( -2.384 -0.000 -0.435) 2.423 1.287 ( -0.393 0.000 -0.380) 0.547 1.323 ( -0.664 -0.000 1.818) 1.935 1.526 ( -0.399 0.000 -2.492) 2.524 1.647 ( 1.582 0.000 -0.132) 1.587 1.666 ( 3.456 0.000 1.393) 3.726 1.817 ( 0.812 0.000 -1.636) 1.826 1.849 ( 0.631 0.000 -1.039) 1.216 2.284 ( 8.418 0.000 -0.059) 8.418 2.364 ( 5.718 0.000 0.167) 5.720 2.739 ( -3.702 -0.000 -0.197) 3.708 2.791 ( 3.973 0.000 -0.513) 4.006 3.384 ( -18.142 -0.000 -0.251) 18.144 4.224 ( 15.918 0.000 0.079) 15.918 7.609 ( 2.952 0.000 0.264) 2.964 7.714 ( 1.259 0.000 -0.979) 1.594 7.936 ( -0.111 0.000 -0.071) 0.132 8.448 ( -4.669 -0.000 0.105) 4.670 8.651 ( 0.857 0.000 -0.149) 0.869 8.873 ( -2.551 0.000 -1.534) 2.976 8.905 ( 5.067 0.000 -0.078) 5.067 9.373 ( -4.112 -0.000 0.311) 4.124 9.506 ( -4.313 -0.000 -0.081) 4.313 9.577 ( 2.321 0.000 0.071) 2.322 10.870 ( -5.139 -0.000 -0.066) 5.139 11.160 ( 4.753 0.000 -0.160) 4.755 ======================= Grid point 436 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.000 9.922 0.860) 9.959 1.058 ( 0.000 16.504 -0.501) 16.512 1.310 ( 0.000 0.462 1.657) 1.720 1.340 ( -0.000 -5.713 -0.898) 5.783 1.480 ( 0.000 0.552 0.796) 0.968 1.689 ( 0.000 -0.381 0.248) 0.455 1.705 ( -0.000 1.725 -1.113) 2.053 1.840 ( -0.000 0.479 -1.599) 1.669 2.081 ( -0.000 -19.537 -0.927) 19.559 2.343 ( 0.000 9.761 0.092) 9.761 2.372 ( 0.000 18.644 -0.335) 18.647 2.802 ( -0.000 -12.843 0.046) 12.843 2.896 ( -0.000 -2.538 -0.602) 2.608 3.133 ( -0.000 -13.446 -0.294) 13.449 4.548 ( -0.000 -6.161 0.036) 6.162 7.669 ( 0.000 1.815 0.054) 1.816 7.787 ( -0.000 -3.902 -0.180) 3.906 7.931 ( -0.000 0.103 -0.297) 0.314 8.294 ( 0.000 1.546 0.011) 1.546 8.674 ( 0.000 -0.236 0.152) 0.280 8.823 ( -0.000 0.042 -1.710) 1.710 9.028 ( -0.000 0.345 -0.890) 0.955 9.197 ( 0.000 11.118 0.467) 11.128 9.352 ( 0.000 2.893 0.083) 2.894 9.657 ( -0.000 -3.178 0.003) 3.178 10.639 ( 0.000 13.974 0.022) 13.974 11.336 ( -0.000 -8.775 -0.304) 8.780 ======================= Grid point 437 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -5.912 6.949 0.563) 9.141 1.183 ( -0.708 9.645 -1.191) 9.744 1.295 ( -0.840 -4.129 -0.633) 4.261 1.339 ( -0.575 0.377 3.147) 3.221 1.488 ( 0.923 3.214 -0.583) 3.394 1.677 ( 1.177 -1.176 -0.921) 1.902 1.705 ( 0.310 0.633 -0.110) 0.713 1.822 ( -0.433 -2.172 -2.710) 3.500 1.903 ( 1.365 -12.524 -0.983) 12.636 2.333 ( 9.092 13.376 0.091) 16.173 2.576 ( 5.794 -8.322 0.007) 10.140 2.627 ( -2.961 5.113 -0.282) 5.915 2.850 ( 2.800 -1.445 -0.833) 3.259 3.146 ( -14.387 -8.112 -0.366) 16.521 4.437 ( 8.576 -3.509 0.082) 9.267 7.664 ( 3.204 1.402 0.375) 3.517 7.733 ( 1.569 -2.217 -0.976) 2.886 7.933 ( -0.330 -0.231 -0.293) 0.499 8.356 ( -5.558 1.017 0.094) 5.651 8.666 ( 0.915 -0.118 0.018) 0.922 8.824 ( -1.822 0.029 -2.191) 2.849 8.981 ( 4.553 0.118 -0.739) 4.614 9.299 ( -1.833 6.656 0.410) 6.916 9.420 ( -4.944 1.532 -0.031) 5.176 9.619 ( 1.070 -2.918 -0.002) 3.108 10.766 ( -2.500 8.872 -0.105) 9.218 11.246 ( 2.135 -6.445 -0.271) 6.795 ======================= Grid point 438 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -8.671 -0.000 -0.192) 8.673 1.245 ( -3.391 -0.000 -0.893) 3.507 1.273 ( -0.622 0.000 -1.420) 1.551 1.367 ( 0.980 -0.000 3.938) 4.058 1.484 ( 1.061 0.000 -2.934) 3.120 1.644 ( 0.790 0.000 -0.298) 0.844 1.687 ( 2.067 -0.000 1.301) 2.443 1.785 ( 0.331 0.000 -2.494) 2.516 1.826 ( 0.796 0.000 -2.140) 2.283 2.283 ( 8.376 0.000 -0.103) 8.377 2.368 ( 5.747 0.000 0.312) 5.756 2.736 ( -3.664 -0.000 -0.309) 3.677 2.781 ( 3.768 0.000 -0.866) 3.866 3.378 ( -18.167 -0.000 -0.408) 18.171 4.226 ( 15.902 0.000 0.139) 15.903 7.614 ( 3.243 0.000 0.428) 3.271 7.695 ( 1.198 0.000 -1.588) 1.989 7.935 ( -0.272 -0.000 -0.092) 0.287 8.450 ( -4.681 -0.000 0.190) 4.685 8.648 ( 1.031 0.000 -0.313) 1.077 8.843 ( -2.635 0.000 -2.318) 3.509 8.903 ( 4.486 0.000 -0.141) 4.488 9.378 ( -4.070 -0.000 0.378) 4.088 9.504 ( -4.342 -0.000 -0.066) 4.343 9.578 ( 2.204 0.000 0.044) 2.204 10.869 ( -5.272 -0.000 -0.105) 5.273 11.157 ( 4.786 0.000 -0.252) 4.792 ======================= Grid point 448 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -0.000 8.970 1.490) 9.093 1.046 ( -0.000 15.921 -1.135) 15.961 1.322 ( -0.000 -4.282 -1.540) 4.551 1.343 ( -0.000 1.533 2.631) 3.045 1.499 ( 0.000 -1.544 1.867) 2.423 1.680 ( -0.000 1.783 -2.297) 2.908 1.694 ( 0.000 -1.123 0.390) 1.189 1.808 ( 0.000 -0.114 -2.587) 2.589 2.062 ( 0.000 -19.194 -1.453) 19.248 2.345 ( 0.000 9.800 0.147) 9.801 2.365 ( -0.000 18.847 -0.566) 18.855 2.803 ( 0.000 -12.869 0.076) 12.869 2.884 ( 0.000 -2.640 -0.983) 2.818 3.127 ( 0.000 -13.549 -0.478) 13.557 4.549 ( -0.000 -6.122 0.071) 6.123 7.669 ( -0.000 1.771 -0.205) 1.783 7.786 ( -0.000 -4.288 0.008) 4.288 7.925 ( 0.000 0.090 -0.478) 0.486 8.294 ( 0.000 1.561 0.018) 1.561 8.677 ( 0.000 -0.255 0.245) 0.353 8.789 ( 0.000 -0.032 -2.598) 2.598 9.011 ( 0.000 0.423 -1.313) 1.379 9.205 ( -0.000 10.881 0.452) 10.890 9.354 ( -0.000 2.891 0.133) 2.894 9.657 ( -0.000 -3.197 -0.027) 3.197 10.639 ( 0.000 13.720 0.037) 13.720 11.330 ( 0.000 -8.538 -0.477) 8.551 ======================= Grid point 449 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -5.808 5.854 0.778) 8.283 1.160 ( -0.172 10.384 -1.803) 10.541 1.283 ( -0.445 -3.316 -0.915) 3.469 1.393 ( -0.635 2.467 3.672) 4.469 1.483 ( 1.324 -0.960 0.218) 1.650 1.657 ( 1.330 -0.139 -1.749) 2.202 1.702 ( -0.666 0.570 -0.261) 0.915 1.780 ( -0.615 -2.532 -2.777) 3.808 1.882 ( 1.668 -12.510 -1.702) 12.735 2.335 ( 9.046 13.333 0.111) 16.112 2.576 ( 5.304 -7.523 0.002) 9.204 2.622 ( -2.560 4.329 -0.338) 5.041 2.835 ( 2.707 -1.508 -1.049) 3.271 3.140 ( -14.470 -8.173 -0.455) 16.625 4.439 ( 8.563 -3.472 0.115) 9.241 7.667 ( 2.611 2.029 -0.043) 3.307 7.719 ( 2.552 -3.070 -0.684) 4.050 7.928 ( -0.559 -0.256 -0.357) 0.711 8.357 ( -5.668 1.025 0.126) 5.761 8.665 ( 1.245 -0.139 -0.077) 1.255 8.788 ( -2.056 -0.023 -2.470) 3.214 8.968 ( 3.890 0.083 -0.909) 3.995 9.305 ( -1.822 6.641 0.334) 6.895 9.419 ( -4.791 1.536 -0.012) 5.031 9.619 ( 1.016 -2.967 -0.052) 3.137 10.764 ( -2.548 8.626 -0.126) 8.996 11.241 ( 2.156 -6.191 -0.323) 6.564 ======================= Grid point 450 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -7.034 -0.000 -0.150) 7.036 1.229 ( -4.993 -0.000 -1.215) 5.138 1.249 ( 0.362 0.000 -1.643) 1.682 1.434 ( 1.669 -0.000 4.776) 5.060 1.445 ( 2.061 0.000 -2.263) 3.061 1.638 ( -0.506 0.000 -0.498) 0.710 1.703 ( 1.142 -0.000 0.857) 1.428 1.747 ( 1.004 0.000 -2.506) 2.700 1.788 ( 0.132 0.000 -2.794) 2.797 2.281 ( 8.332 0.000 -0.113) 8.333 2.373 ( 5.742 0.000 0.363) 5.753 2.731 ( -3.669 -0.000 -0.276) 3.680 2.767 ( 3.571 0.000 -0.932) 3.691 3.372 ( -18.197 -0.000 -0.411) 18.202 4.228 ( 15.884 0.000 0.152) 15.885 7.621 ( 3.603 0.000 0.430) 3.628 7.670 ( 1.159 0.000 -1.588) 1.965 7.933 ( -0.507 -0.000 -0.069) 0.512 8.453 ( -4.717 -0.000 0.224) 4.723 8.642 ( 1.222 0.000 -0.444) 1.300 8.809 ( -2.672 0.000 -2.110) 3.405 8.901 ( 3.768 0.000 -0.159) 3.771 9.383 ( -4.040 -0.000 0.253) 4.048 9.504 ( -4.441 -0.000 0.007) 4.441 9.578 ( 2.119 0.000 -0.036) 2.120 10.867 ( -5.434 -0.000 -0.102) 5.435 11.153 ( 4.826 0.000 -0.244) 4.832 ======================= Grid point 460 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -0.000 7.630 1.657) 7.808 1.026 ( -0.000 14.964 -1.373) 15.027 1.297 ( -0.000 -2.445 -1.696) 2.976 1.382 ( -0.000 2.422 2.527) 3.500 1.535 ( 0.000 -3.590 2.852) 4.585 1.639 ( -0.000 1.805 -2.957) 3.464 1.700 ( 0.000 -1.936 0.379) 1.973 1.767 ( 0.000 -0.314 -2.914) 2.931 2.040 ( 0.000 -19.301 -1.390) 19.351 2.347 ( 0.000 9.847 0.145) 9.848 2.356 ( -0.000 19.241 -0.600) 19.251 2.804 ( 0.000 -12.903 0.081) 12.903 2.869 ( 0.000 -2.767 -0.997) 2.941 3.119 ( 0.000 -13.681 -0.480) 13.689 4.550 ( -0.000 -6.076 0.087) 6.076 7.663 ( -0.000 1.408 -0.531) 1.505 7.788 ( -0.000 -4.442 0.348) 4.455 7.918 ( 0.000 0.074 -0.475) 0.480 8.294 ( 0.000 1.578 0.020) 1.578 8.681 ( 0.000 -0.278 0.243) 0.369 8.751 ( 0.000 -0.202 -2.444) 2.453 8.992 ( 0.000 0.355 -1.220) 1.271 9.210 ( -0.000 10.856 0.192) 10.858 9.356 ( -0.000 2.888 0.130) 2.891 9.656 ( -0.000 -3.235 -0.063) 3.236 10.640 ( 0.000 13.408 0.039) 13.408 11.323 ( 0.000 -8.257 -0.458) 8.270 ======================= Grid point 461 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -5.814 4.545 0.717) 7.414 1.134 ( 0.329 11.085 -1.654) 11.213 1.269 ( 0.137 -2.155 -0.832) 2.314 1.430 ( -0.311 2.868 1.057) 3.072 1.508 ( 1.236 -3.439 3.163) 4.833 1.627 ( 0.392 0.500 -2.198) 2.288 1.698 ( -0.763 -0.076 -0.187) 0.789 1.741 ( -0.436 -0.900 -2.406) 2.605 1.857 ( 1.871 -13.625 -1.585) 13.844 2.336 ( 8.985 13.285 0.089) 16.038 2.576 ( 4.652 -6.439 -0.008) 7.944 2.618 ( -2.017 3.257 -0.260) 3.840 2.820 ( 2.628 -1.571 -0.867) 3.182 3.133 ( -14.553 -8.236 -0.370) 16.726 4.440 ( 8.550 -3.435 0.105) 9.215 7.661 ( 1.628 1.871 -0.643) 2.563 7.715 ( 3.929 -3.129 0.068) 5.023 7.923 ( -0.791 -0.282 -0.285) 0.887 8.359 ( -5.792 1.032 0.113) 5.884 8.663 ( 1.621 -0.174 -0.232) 1.647 8.755 ( -2.320 -0.085 -1.746) 2.905 8.955 ( 3.269 0.033 -0.733) 3.350 9.308 ( -1.835 6.672 0.159) 6.921 9.419 ( -4.664 1.554 0.008) 4.916 9.618 ( 0.964 -3.035 -0.079) 3.185 10.763 ( -2.595 8.385 -0.100) 8.778 11.237 ( 2.178 -5.946 -0.253) 6.337 ======================= Grid point 462 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -4.677 -0.000 0.041) 4.678 1.212 ( -7.251 -0.000 -1.044) 7.326 1.228 ( 1.252 0.000 -1.112) 1.675 1.419 ( 2.588 0.000 -1.150) 2.832 1.502 ( 2.173 -0.000 4.147) 4.682 1.630 ( -2.249 -0.000 -0.624) 2.333 1.712 ( 3.530 0.000 -2.212) 4.166 1.713 ( 0.591 -0.000 0.413) 0.721 1.750 ( -1.725 0.000 -1.975) 2.622 2.279 ( 8.302 0.000 -0.075) 8.303 2.378 ( 5.705 0.000 0.251) 5.710 2.728 ( -3.841 -0.000 -0.127) 3.843 2.755 ( 3.583 0.000 -0.639) 3.639 3.367 ( -18.221 -0.000 -0.255) 18.223 4.230 ( 15.869 0.000 0.101) 15.870 7.626 ( 3.894 0.000 0.267) 3.903 7.651 ( 1.149 0.000 -0.979) 1.509 7.933 ( -0.720 -0.000 -0.033) 0.721 8.456 ( -4.774 -0.000 0.162) 4.777 8.636 ( 1.335 0.000 -0.373) 1.386 8.784 ( -2.622 -0.000 -1.184) 2.877 8.899 ( 3.188 0.000 -0.107) 3.189 9.386 ( -4.029 -0.000 0.104) 4.030 9.504 ( -4.571 -0.000 0.039) 4.571 9.577 ( 2.098 0.000 -0.060) 2.099 10.866 ( -5.563 -0.000 -0.062) 5.563 11.150 ( 4.858 0.000 -0.147) 4.861 ======================= Grid point 464 (161/171) ======================= q-point: ( 1.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -2.054 -0.000 0.000) 2.054 1.202 ( -9.806 -0.000 0.000) 9.806 1.219 ( 1.591 0.000 -0.000) 1.591 1.411 ( 2.730 0.000 -0.000) 2.730 1.539 ( 2.661 0.000 -0.000) 2.661 1.623 ( -3.642 -0.000 0.000) 3.642 1.692 ( 5.026 0.000 -0.000) 5.026 1.716 ( 0.405 0.000 -0.000) 0.405 1.735 ( -2.528 -0.000 0.000) 2.528 2.279 ( 8.292 0.000 -0.000) 8.292 2.380 ( 5.683 0.000 -0.000) 5.683 2.727 ( -4.050 -0.000 0.000) 4.050 2.750 ( 3.731 0.000 -0.000) 3.731 3.365 ( -18.231 -0.000 0.000) 18.231 4.231 ( 15.864 0.000 -0.000) 15.864 7.628 ( 4.005 0.000 -0.000) 4.005 7.643 ( 1.149 0.000 -0.000) 1.149 7.932 ( -0.807 -0.000 0.000) 0.807 8.457 ( -4.805 -0.000 0.000) 4.805 8.633 ( 1.362 0.000 -0.000) 1.362 8.775 ( -2.575 -0.000 0.000) 2.575 8.898 ( 2.966 0.000 -0.000) 2.966 9.387 ( -4.027 -0.000 0.000) 4.027 9.505 ( -4.633 -0.000 0.000) 4.633 9.577 ( 2.103 0.000 -0.000) 2.103 10.865 ( -5.611 -0.000 0.000) 5.611 11.149 ( 4.871 0.000 -0.000) 4.871 ======================= Grid point 475 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.000 6.335 1.148) 6.438 1.008 ( -0.000 14.061 -0.925) 14.091 1.275 ( -0.000 -0.811 -1.167) 1.421 1.415 ( -0.000 2.235 1.802) 2.871 1.569 ( 0.000 -3.284 0.441) 3.313 1.609 ( -0.000 0.708 0.159) 0.725 1.704 ( 0.000 -2.524 0.229) 2.534 1.723 ( 0.000 -0.036 -2.798) 2.799 2.024 ( 0.000 -19.800 -0.825) 19.817 2.348 ( -0.000 19.678 -0.389) 19.682 2.349 ( 0.000 9.885 0.088) 9.886 2.805 ( 0.000 -12.938 0.054) 12.938 2.856 ( 0.000 -2.862 -0.625) 2.929 3.113 ( 0.000 -13.792 -0.298) 13.795 4.551 ( -0.000 -6.038 0.062) 6.039 7.655 ( -0.000 0.946 -0.450) 1.047 7.794 ( -0.000 -4.386 0.345) 4.399 7.912 ( 0.000 0.061 -0.292) 0.298 8.294 ( 0.000 1.592 0.013) 1.592 8.684 ( 0.000 -0.296 0.149) 0.331 8.721 ( 0.000 -0.382 -1.452) 1.502 8.977 ( 0.000 0.240 -0.723) 0.762 9.211 ( -0.000 10.957 0.020) 10.957 9.358 ( -0.000 2.886 0.079) 2.887 9.655 ( -0.000 -3.279 -0.055) 3.279 10.640 ( 0.000 13.157 0.025) 13.157 11.318 ( 0.000 -8.038 -0.274) 8.043 ======================= Grid point 476 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -5.904 3.595 0.303) 6.919 1.115 ( 0.626 11.434 -0.672) 11.471 1.260 ( 0.595 -1.340 -0.351) 1.508 1.436 ( 0.525 0.536 0.065) 0.753 1.558 ( -0.374 -1.757 2.976) 3.477 1.597 ( 0.476 -0.273 -1.792) 1.874 1.697 ( 0.233 0.754 -0.027) 0.789 1.711 ( -1.064 -0.287 -1.448) 1.820 1.840 ( 1.933 -14.501 -0.614) 14.642 2.337 ( 8.940 13.251 0.034) 15.985 2.576 ( 4.143 -5.586 -0.006) 6.955 2.615 ( -1.588 2.410 -0.095) 2.888 2.811 ( 2.589 -1.609 -0.336) 3.067 3.129 ( -14.606 -8.277 -0.142) 16.788 4.441 ( 8.543 -3.412 0.043) 9.200 7.653 ( 1.261 1.376 -0.341) 1.897 7.717 ( 4.542 -2.763 0.124) 5.318 7.920 ( -0.936 -0.300 -0.108) 0.988 8.360 ( -5.878 1.037 0.046) 5.969 8.660 ( 1.823 -0.210 -0.163) 1.842 8.738 ( -2.443 -0.116 -0.577) 2.513 8.948 ( 2.903 -0.003 -0.279) 2.916 9.310 ( -1.852 6.709 0.038) 6.960 9.420 ( -4.599 1.572 0.007) 4.860 9.617 ( 0.933 -3.086 -0.038) 3.224 10.762 ( -2.623 8.238 -0.037) 8.645 11.234 ( 2.192 -5.798 -0.094) 6.199 ======================= Grid point 487 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 5.762 0.000) 5.762 1.001 ( 0.000 13.687 0.000) 13.687 1.266 ( -0.000 -0.122 0.000) 0.122 1.430 ( 0.000 1.852 0.000) 1.852 1.561 ( -0.000 -0.514 -0.000) 0.514 1.626 ( -0.000 -2.459 0.000) 2.459 1.696 ( 0.000 0.556 0.000) 0.556 1.706 ( -0.000 -2.734 0.000) 2.734 2.017 ( -0.000 -20.084 0.000) 20.084 2.345 ( 0.000 19.873 0.000) 19.873 2.350 ( 0.000 9.900 0.000) 9.900 2.805 ( -0.000 -12.958 0.000) 12.958 2.852 ( -0.000 -2.892 0.000) 2.892 3.111 ( -0.000 -13.835 0.000) 13.835 4.551 ( -0.000 -6.024 0.000) 6.024 7.652 ( 0.000 0.751 0.000) 0.751 7.797 ( -0.000 -4.343 0.000) 4.343 7.910 ( 0.000 0.056 0.000) 0.056 8.295 ( 0.000 1.597 0.000) 1.597 8.685 ( -0.000 -0.303 0.000) 0.303 8.710 ( -0.000 -0.458 0.000) 0.458 8.971 ( 0.000 0.188 0.000) 0.188 9.211 ( 0.000 11.015 0.000) 11.015 9.358 ( 0.000 2.885 0.000) 2.885 9.655 ( -0.000 -3.298 0.000) 3.298 10.641 ( 0.000 13.061 0.000) 13.061 11.316 ( -0.000 -7.956 0.000) 7.956 ======================= Grid point 529 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -10.071 -0.000 0.000) 10.071 1.258 ( -2.045 0.000 0.000) 2.045 1.287 ( 0.963 -0.000 -0.000) 0.963 1.313 ( -2.577 -0.000 0.000) 2.577 1.547 ( -1.590 -0.000 0.000) 1.590 1.648 ( 1.854 -0.000 -0.000) 1.854 1.654 ( 4.626 -0.000 -0.000) 4.626 1.830 ( 1.301 0.000 -0.000) 1.301 1.857 ( 0.311 -0.000 -0.000) 0.311 2.284 ( 8.435 -0.000 -0.000) 8.435 2.363 ( 5.698 0.000 -0.000) 5.698 2.741 ( -3.721 -0.000 0.000) 3.721 2.795 ( 4.055 -0.000 -0.000) 4.055 3.385 ( -18.133 -0.000 0.000) 18.133 4.223 ( 15.924 0.000 -0.000) 15.924 7.607 ( 2.840 -0.000 -0.000) 2.840 7.722 ( 1.290 -0.000 -0.000) 1.290 7.937 ( -0.059 -0.000 0.000) 0.059 8.447 ( -4.668 -0.000 0.000) 4.668 8.652 ( 0.788 -0.000 -0.000) 0.788 8.885 ( -2.508 -0.000 0.000) 2.508 8.905 ( 5.289 0.000 -0.000) 5.289 9.370 ( -4.133 -0.000 0.000) 4.133 9.506 ( -4.316 -0.000 0.000) 4.316 9.577 ( 2.380 -0.000 -0.000) 2.380 10.871 ( -5.088 -0.000 0.000) 5.088 11.162 ( 4.740 -0.000 -0.000) 4.740 ======================= Grid point 541 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 0.000 0.000) 0.000 1.234 ( -0.000 -0.000 -0.000) 0.000 1.266 ( 0.000 0.000 0.000) 0.000 1.296 ( 0.000 0.000 0.000) 0.000 1.543 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.830 ( -0.000 -0.000 -0.000) 0.000 1.861 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.617 ( -0.000 -0.000 -0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.930 ( -0.000 -0.000 -0.000) 0.000 4.490 ( -0.000 -0.000 -0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.742 ( -0.000 -0.000 -0.000) 0.000 7.935 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.837 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.314 ( -0.000 -0.000 -0.000) 0.000 9.379 ( 0.000 0.000 0.000) 0.000 9.613 ( 0.000 0.000 0.000) 0.000 10.794 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 553 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.000 0.000 0.225) 0.225 1.231 ( -0.000 -0.000 -0.511) 0.511 1.266 ( -0.000 -0.000 -0.017) 0.017 1.316 ( 0.000 0.000 2.665) 2.665 1.531 ( -0.000 0.000 -1.516) 1.516 1.685 ( -0.000 0.000 -0.115) 0.115 1.721 ( 0.000 -0.000 0.329) 0.329 1.800 ( -0.000 0.000 -3.385) 3.385 1.865 ( -0.000 0.000 -0.055) 0.055 2.499 ( 0.000 0.000 0.174) 0.174 2.616 ( -0.000 -0.000 -0.033) 0.033 2.633 ( -0.000 0.000 -0.267) 0.267 2.872 ( -0.000 0.000 -0.650) 0.650 2.927 ( -0.000 -0.000 -0.345) 0.345 4.490 ( 0.000 -0.000 0.056) 0.056 7.703 ( 0.000 0.000 0.612) 0.612 7.735 ( -0.000 -0.000 -0.946) 0.946 7.932 ( -0.000 0.000 -0.303) 0.303 8.308 ( 0.000 0.000 0.018) 0.018 8.672 ( 0.000 -0.000 0.143) 0.143 8.823 ( -0.000 0.000 -1.742) 1.742 9.031 ( -0.000 0.000 -0.826) 0.826 9.316 ( 0.000 -0.000 0.342) 0.342 9.380 ( 0.000 -0.000 0.082) 0.082 9.612 ( -0.000 0.000 -0.019) 0.019 10.793 ( -0.000 0.000 -0.153) 0.153 11.231 ( -0.000 -0.000 -0.131) 0.131 ======================= Grid point 565 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.000 0.000 0.363) 0.363 1.219 ( -0.000 -0.000 -0.987) 0.987 1.266 ( -0.000 -0.000 -0.034) 0.034 1.371 ( 0.000 0.000 4.484) 4.484 1.503 ( -0.000 -0.000 -2.164) 2.164 1.683 ( -0.000 0.000 -0.175) 0.175 1.726 ( 0.000 -0.000 0.350) 0.350 1.740 ( -0.000 0.000 -4.412) 4.412 1.853 ( -0.000 0.000 -1.538) 1.538 2.503 ( 0.000 0.000 0.282) 0.282 2.616 ( -0.000 -0.000 -0.053) 0.053 2.628 ( -0.000 0.000 -0.444) 0.444 2.859 ( -0.000 0.000 -1.061) 1.061 2.920 ( -0.000 -0.000 -0.564) 0.564 4.492 ( 0.000 -0.000 0.102) 0.102 7.716 ( 0.000 0.000 0.995) 0.995 7.716 ( -0.000 -0.000 -1.518) 1.518 7.926 ( -0.000 0.000 -0.487) 0.487 8.308 ( 0.000 0.000 0.029) 0.029 8.675 ( 0.000 -0.000 0.230) 0.230 8.789 ( -0.000 0.000 -2.688) 2.688 9.015 ( -0.000 0.000 -1.308) 1.308 9.322 ( 0.000 -0.000 0.406) 0.406 9.381 ( 0.000 -0.000 0.131) 0.131 9.612 ( -0.000 0.000 -0.077) 0.077 10.790 ( -0.000 0.000 -0.242) 0.242 11.229 ( -0.000 -0.000 -0.206) 0.206 ======================= Grid point 577 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 0.000 0.000 0.360) 0.360 1.202 ( -0.000 -0.000 -1.211) 1.211 1.265 ( -0.000 -0.000 -0.041) 0.041 1.443 ( 0.000 0.000 4.994) 4.994 1.472 ( -0.000 -0.000 -1.880) 1.880 1.675 ( -0.000 0.000 -4.140) 4.140 1.681 ( -0.000 0.000 -0.163) 0.163 1.731 ( 0.000 -0.000 0.219) 0.219 1.822 ( -0.000 0.000 -2.577) 2.577 2.507 ( 0.000 0.000 0.282) 0.282 2.615 ( -0.000 -0.000 -0.053) 0.053 2.621 ( -0.000 0.000 -0.460) 0.460 2.843 ( -0.000 0.000 -1.074) 1.074 2.912 ( -0.000 -0.000 -0.571) 0.571 4.493 ( 0.000 -0.000 0.117) 0.117 7.693 ( -0.000 0.000 -1.504) 1.504 7.731 ( 0.000 -0.000 1.003) 1.003 7.919 ( -0.000 0.000 -0.484) 0.484 8.309 ( 0.000 0.000 0.031) 0.031 8.679 ( 0.000 -0.000 0.229) 0.229 8.749 ( -0.000 0.000 -2.566) 2.566 8.995 ( -0.000 0.000 -1.276) 1.276 9.327 ( 0.000 -0.000 0.261) 0.261 9.383 ( 0.000 -0.000 0.128) 0.128 9.610 ( -0.000 0.000 -0.131) 0.131 10.786 ( -0.000 0.000 -0.235) 0.235 11.226 ( -0.000 0.000 -0.198) 0.198 ======================= Grid point 590 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 0.000 0.221) 0.221 1.186 ( -0.000 -0.000 -0.870) 0.870 1.265 ( -0.000 -0.000 -0.029) 0.029 1.450 ( -0.000 0.000 -1.037) 1.037 1.511 ( 0.000 -0.000 3.793) 3.793 1.624 ( -0.000 0.000 -2.538) 2.538 1.679 ( -0.000 0.000 -0.094) 0.094 1.733 ( 0.000 -0.000 0.094) 0.094 1.783 ( -0.000 0.000 -2.448) 2.448 2.510 ( 0.000 0.000 0.175) 0.175 2.614 ( -0.000 -0.000 -0.033) 0.033 2.615 ( -0.000 0.000 -0.292) 0.292 2.829 ( -0.000 0.000 -0.671) 0.671 2.905 ( -0.000 -0.000 -0.357) 0.357 4.495 ( 0.000 -0.000 0.080) 0.080 7.674 ( -0.000 0.000 -0.922) 0.922 7.744 ( 0.000 0.000 0.625) 0.625 7.913 ( -0.000 0.000 -0.298) 0.298 8.309 ( 0.000 0.000 0.020) 0.020 8.682 ( 0.000 0.000 0.141) 0.141 8.717 ( -0.000 0.000 -1.539) 1.539 8.979 ( -0.000 0.000 -0.774) 0.774 9.330 ( 0.000 -0.000 0.102) 0.102 9.385 ( 0.000 0.000 0.078) 0.078 9.608 ( -0.000 0.000 -0.106) 0.106 10.783 ( -0.000 0.000 -0.142) 0.142 11.223 ( -0.000 0.000 -0.119) 0.119 ======================= Grid point 592 (171/171) ======================= q-point: (-1.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.000 0.000 0.000) 0.000 1.179 ( -0.000 0.000 0.000) 0.000 1.264 ( -0.000 0.000 0.000) 0.000 1.442 ( 0.000 0.000 0.000) 0.000 1.542 ( -0.000 0.000 0.000) 0.000 1.605 ( -0.000 0.000 0.000) 0.000 1.678 ( 0.000 0.000 0.000) 0.000 1.734 ( -0.000 0.000 0.000) 0.000 1.761 ( -0.000 0.000 0.000) 0.000 2.512 ( -0.000 0.000 0.000) 0.000 2.613 ( -0.000 0.000 0.000) 0.000 2.614 ( -0.000 0.000 0.000) 0.000 2.824 ( -0.000 0.000 0.000) 0.000 2.902 ( -0.000 0.000 0.000) 0.000 4.495 ( -0.000 0.000 0.000) 0.000 7.667 ( -0.000 0.000 0.000) 0.000 7.748 ( -0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 8.309 ( 0.000 0.000 0.000) 0.000 8.683 ( -0.000 0.000 0.000) 0.000 8.706 ( -0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.331 ( 0.000 0.000 0.000) 0.000 9.385 ( -0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 10.782 ( 0.000 0.000 0.000) 0.000 11.222 ( 0.000 0.000 0.000) 0.000 =================== 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 3/27000 10.0 70.583 62.663 31.473 0.000 0.000 0.000 3/27000 20.0 24.107 23.204 6.019 0.000 0.000 0.000 3/27000 30.0 16.665 16.169 3.169 0.000 0.000 0.000 3/27000 40.0 14.016 13.474 2.188 0.000 0.000 0.000 3/27000 50.0 12.453 11.812 1.685 0.000 0.000 0.000 3/27000 60.0 11.256 10.546 1.375 0.000 0.000 0.000 3/27000 70.0 10.251 9.508 1.164 0.000 0.000 0.000 3/27000 80.0 9.385 8.637 1.010 0.000 0.000 0.000 3/27000 90.0 8.635 7.897 0.892 0.000 0.000 0.000 3/27000 100.0 7.982 7.264 0.800 0.000 0.000 0.000 3/27000 110.0 7.413 6.720 0.724 0.000 0.000 0.000 3/27000 120.0 6.914 6.247 0.662 0.000 0.000 0.000 3/27000 130.0 6.473 5.834 0.610 0.000 0.000 0.000 3/27000 140.0 6.083 5.470 0.566 0.000 0.000 0.000 3/27000 150.0 5.735 5.148 0.527 0.000 0.000 0.000 3/27000 160.0 5.423 4.861 0.494 0.000 0.000 0.000 3/27000 170.0 5.142 4.603 0.464 0.000 0.000 0.000 3/27000 180.0 4.888 4.371 0.438 0.000 0.000 0.000 3/27000 190.0 4.657 4.161 0.415 0.000 0.000 0.000 3/27000 200.0 4.447 3.969 0.394 0.000 0.000 0.000 3/27000 210.0 4.254 3.794 0.375 0.000 0.000 0.000 3/27000 220.0 4.077 3.634 0.358 0.000 0.000 0.000 3/27000 230.0 3.914 3.486 0.342 0.000 0.000 0.000 3/27000 240.0 3.763 3.350 0.328 0.000 0.000 0.000 3/27000 250.0 3.623 3.224 0.315 0.000 0.000 0.000 3/27000 260.0 3.492 3.107 0.302 0.000 0.000 0.000 3/27000 270.0 3.371 2.998 0.291 0.000 0.000 0.000 3/27000 280.0 3.258 2.897 0.281 0.000 0.000 0.000 3/27000 290.0 3.152 2.801 0.271 0.000 0.000 0.000 3/27000 300.0 3.052 2.712 0.262 0.000 0.000 0.000 3/27000 310.0 2.959 2.629 0.254 0.000 0.000 0.000 3/27000 320.0 2.871 2.550 0.246 0.000 0.000 0.000 3/27000 330.0 2.788 2.476 0.238 0.000 0.000 0.000 3/27000 340.0 2.709 2.406 0.231 0.000 0.000 0.000 3/27000 350.0 2.635 2.339 0.224 0.000 0.000 0.000 3/27000 360.0 2.565 2.277 0.218 0.000 0.000 0.000 3/27000 370.0 2.498 2.217 0.212 0.000 0.000 0.000 3/27000 380.0 2.435 2.161 0.207 0.000 0.000 0.000 3/27000 390.0 2.375 2.107 0.201 0.000 0.000 0.000 3/27000 400.0 2.318 2.056 0.196 0.000 0.000 0.000 3/27000 410.0 2.263 2.007 0.192 0.000 0.000 0.000 3/27000 420.0 2.211 1.961 0.187 0.000 0.000 0.000 3/27000 430.0 2.161 1.916 0.183 0.000 0.000 0.000 3/27000 440.0 2.113 1.874 0.178 0.000 0.000 0.000 3/27000 450.0 2.068 1.833 0.175 0.000 0.000 0.000 3/27000 460.0 2.024 1.795 0.171 0.000 0.000 0.000 3/27000 470.0 1.982 1.757 0.167 0.000 0.000 0.000 3/27000 480.0 1.942 1.722 0.164 0.000 0.000 0.000 3/27000 490.0 1.903 1.687 0.160 0.000 0.000 0.000 3/27000 500.0 1.866 1.654 0.157 0.000 0.000 0.000 3/27000 510.0 1.830 1.622 0.154 0.000 0.000 0.000 3/27000 520.0 1.796 1.592 0.151 0.000 0.000 0.000 3/27000 530.0 1.763 1.562 0.148 0.000 0.000 0.000 3/27000 540.0 1.731 1.534 0.145 0.000 0.000 0.000 3/27000 550.0 1.700 1.507 0.143 0.000 0.000 0.000 3/27000 560.0 1.670 1.480 0.140 0.000 0.000 0.000 3/27000 570.0 1.642 1.455 0.138 0.000 0.000 0.000 3/27000 580.0 1.614 1.430 0.135 0.000 0.000 0.000 3/27000 590.0 1.587 1.406 0.133 0.000 0.000 0.000 3/27000 600.0 1.561 1.383 0.131 0.000 0.000 0.000 3/27000 610.0 1.536 1.361 0.129 0.000 0.000 0.000 3/27000 620.0 1.512 1.339 0.127 0.000 0.000 0.000 3/27000 630.0 1.488 1.318 0.125 0.000 0.000 0.000 3/27000 640.0 1.465 1.298 0.123 0.000 0.000 0.000 3/27000 650.0 1.443 1.278 0.121 0.000 0.000 0.000 3/27000 660.0 1.422 1.259 0.119 0.000 0.000 0.000 3/27000 670.0 1.401 1.241 0.117 0.000 0.000 0.000 3/27000 680.0 1.380 1.223 0.115 0.000 0.000 0.000 3/27000 690.0 1.361 1.205 0.114 0.000 0.000 0.000 3/27000 700.0 1.341 1.188 0.112 0.000 0.000 0.000 3/27000 710.0 1.323 1.172 0.111 0.000 0.000 0.000 3/27000 720.0 1.305 1.156 0.109 0.000 0.000 0.000 3/27000 730.0 1.287 1.140 0.108 0.000 0.000 0.000 3/27000 740.0 1.270 1.125 0.106 0.000 0.000 0.000 3/27000 750.0 1.253 1.110 0.105 0.000 0.000 0.000 3/27000 760.0 1.237 1.096 0.103 0.000 0.000 0.000 3/27000 770.0 1.221 1.081 0.102 0.000 0.000 0.000 3/27000 780.0 1.206 1.068 0.101 0.000 0.000 0.000 3/27000 790.0 1.191 1.054 0.099 0.000 0.000 0.000 3/27000 800.0 1.176 1.041 0.098 0.000 0.000 0.000 3/27000 810.0 1.162 1.029 0.097 0.000 0.000 0.000 3/27000 820.0 1.148 1.016 0.096 0.000 0.000 0.000 3/27000 830.0 1.134 1.004 0.095 0.000 0.000 0.000 3/27000 840.0 1.120 0.992 0.093 0.000 0.000 0.000 3/27000 850.0 1.107 0.981 0.092 0.000 0.000 0.000 3/27000 860.0 1.095 0.969 0.091 0.000 0.000 0.000 3/27000 870.0 1.082 0.958 0.090 0.000 0.000 0.000 3/27000 880.0 1.070 0.948 0.089 0.000 0.000 0.000 3/27000 890.0 1.058 0.937 0.088 0.000 0.000 0.000 3/27000 900.0 1.047 0.927 0.087 0.000 0.000 0.000 3/27000 910.0 1.035 0.917 0.086 0.000 0.000 0.000 3/27000 920.0 1.024 0.907 0.085 0.000 0.000 0.000 3/27000 930.0 1.013 0.897 0.084 0.000 0.000 0.000 3/27000 940.0 1.002 0.888 0.084 0.000 0.000 0.000 3/27000 950.0 0.992 0.878 0.083 0.000 0.000 0.000 3/27000 960.0 0.982 0.869 0.082 0.000 0.000 0.000 3/27000 970.0 0.972 0.860 0.081 0.000 0.000 0.000 3/27000 980.0 0.962 0.852 0.080 0.000 0.000 0.000 3/27000 990.0 0.952 0.843 0.079 0.000 0.000 0.000 3/27000 1000.0 0.943 0.835 0.079 0.000 0.000 0.000 3/27000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:23:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|