----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:25:19]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.401031590000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.989465399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.366129219999998 Atomic positions (fractional): *1 Cu 0.23795984082350 0.25000000000000 0.27976766695298 63.546 2 Cu 0.76204015917650 0.75000000000000 0.72023233304702 63.546 3 Cu 0.73795984082350 0.25000000000000 0.22023233304702 63.546 4 Cu 0.26204015917650 0.75000000000000 0.77976766695298 63.546 *5 Se 0.95288391696151 0.75000000000000 0.61290114891385 78.960 6 Se 0.04711608303849 0.25000000000000 0.38709885108615 78.960 7 Se 0.45288391696151 0.75000000000000 0.88709885108615 78.960 8 Se 0.54711608303849 0.25000000000000 0.11290114891385 78.960 *9 Se 0.91724642406898 0.25000000000000 0.10474429264775 78.960 10 Se 0.08275357593103 0.75000000000000 0.89525570735225 78.960 11 Se 0.41724642406897 0.25000000000000 0.39525570735225 78.960 12 Se 0.58275357593102 0.75000000000000 0.60474429264775 78.960 *13 Se 0.73520362300803 0.75000000000000 0.32969592473911 78.960 14 Se 0.26479637699197 0.25000000000000 0.67030407526089 78.960 15 Se 0.23520362300803 0.75000000000000 0.17030407526089 78.960 16 Se 0.76479637699197 0.25000000000000 0.82969592473911 78.960 *17 Ho 0.48181686006066 0.75000000000000 0.25598684614611 164.930 18 Ho 0.51818313993934 0.25000000000000 0.74401315385389 164.930 19 Ho 0.98181686006066 0.75000000000000 0.24401315385389 164.930 20 Ho 0.01818313993934 0.25000000000000 0.75598684614611 164.930 *21 Pb 0.22596523703457 0.75000000000000 0.49359005144878 207.200 22 Pb 0.77403476296543 0.25000000000000 0.50640994855122 207.200 23 Pb 0.72596523703457 0.75000000000000 0.00640994855122 207.200 24 Pb 0.27403476296543 0.25000000000000 0.99359005144878 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.401031590000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.989465399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.366129219999998 Atomic positions (fractional): *1 Cu 0.23795984082350 0.25000000000000 0.27976766695298 63.546 > 1 2 Cu 0.76204015917650 0.75000000000000 0.72023233304702 63.546 > 2 3 Cu 0.73795984082350 0.25000000000000 0.22023233304702 63.546 > 3 4 Cu 0.26204015917650 0.75000000000000 0.77976766695298 63.546 > 4 *5 Se 0.95288391696151 0.75000000000000 0.61290114891385 78.960 > 5 6 Se 0.04711608303849 0.25000000000000 0.38709885108615 78.960 > 6 7 Se 0.45288391696151 0.75000000000000 0.88709885108615 78.960 > 7 8 Se 0.54711608303849 0.25000000000000 0.11290114891385 78.960 > 8 *9 Se 0.91724642406898 0.25000000000000 0.10474429264775 78.960 > 9 10 Se 0.08275357593103 0.75000000000000 0.89525570735225 78.960 > 10 11 Se 0.41724642406897 0.25000000000000 0.39525570735225 78.960 > 11 12 Se 0.58275357593102 0.75000000000000 0.60474429264775 78.960 > 12 *13 Se 0.73520362300803 0.75000000000000 0.32969592473911 78.960 > 13 14 Se 0.26479637699197 0.25000000000000 0.67030407526089 78.960 > 14 15 Se 0.23520362300803 0.75000000000000 0.17030407526089 78.960 > 15 16 Se 0.76479637699197 0.25000000000000 0.82969592473911 78.960 > 16 *17 Ho 0.48181686006066 0.75000000000000 0.25598684614611 164.930 > 17 18 Ho 0.51818313993934 0.25000000000000 0.74401315385389 164.930 > 18 19 Ho 0.98181686006066 0.75000000000000 0.24401315385389 164.930 > 19 20 Ho 0.01818313993934 0.25000000000000 0.75598684614611 164.930 > 20 *21 Pb 0.22596523703457 0.75000000000000 0.49359005144878 207.200 > 21 22 Pb 0.77403476296543 0.25000000000000 0.50640994855122 207.200 > 22 23 Pb 0.72596523703457 0.75000000000000 0.00640994855122 207.200 > 23 24 Pb 0.27403476296543 0.25000000000000 0.99359005144878 207.200 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 20.802063180000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.968396199999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.366129219999998 Atomic positions (fractional): *1 Cu 0.11897992041175 0.08333333333333 0.27976766695298 63.546 > 1 2 Cu 0.61897992041175 0.08333333333333 0.27976766695298 63.546 > 1 3 Cu 0.11897992041175 0.41666666666667 0.27976766695298 63.546 > 1 4 Cu 0.61897992041175 0.41666666666667 0.27976766695298 63.546 > 1 5 Cu 0.11897992041175 0.75000000000000 0.27976766695298 63.546 > 1 6 Cu 0.61897992041175 0.75000000000000 0.27976766695298 63.546 > 1 7 Cu 0.38102007958825 0.25000000000000 0.72023233304702 63.546 > 2 8 Cu 0.88102007958825 0.25000000000000 0.72023233304702 63.546 > 2 9 Cu 0.38102007958825 0.58333333333333 0.72023233304702 63.546 > 2 10 Cu 0.88102007958825 0.58333333333333 0.72023233304702 63.546 > 2 11 Cu 0.38102007958825 0.91666666666667 0.72023233304702 63.546 > 2 12 Cu 0.88102007958825 0.91666666666667 0.72023233304702 63.546 > 2 13 Cu 0.36897992041175 0.08333333333333 0.22023233304702 63.546 > 3 14 Cu 0.86897992041175 0.08333333333333 0.22023233304702 63.546 > 3 15 Cu 0.36897992041175 0.41666666666667 0.22023233304702 63.546 > 3 16 Cu 0.86897992041175 0.41666666666667 0.22023233304702 63.546 > 3 17 Cu 0.36897992041175 0.75000000000000 0.22023233304702 63.546 > 3 18 Cu 0.86897992041175 0.75000000000000 0.22023233304702 63.546 > 3 19 Cu 0.13102007958825 0.25000000000000 0.77976766695298 63.546 > 4 20 Cu 0.63102007958825 0.25000000000000 0.77976766695298 63.546 > 4 21 Cu 0.13102007958825 0.58333333333333 0.77976766695298 63.546 > 4 22 Cu 0.63102007958825 0.58333333333333 0.77976766695298 63.546 > 4 23 Cu 0.13102007958825 0.91666666666667 0.77976766695298 63.546 > 4 24 Cu 0.63102007958825 0.91666666666667 0.77976766695298 63.546 > 4 *25 Se 0.47644195848075 0.25000000000000 0.61290114891385 78.960 > 5 26 Se 0.97644195848075 0.25000000000000 0.61290114891385 78.960 > 5 27 Se 0.47644195848075 0.58333333333333 0.61290114891385 78.960 > 5 28 Se 0.97644195848075 0.58333333333333 0.61290114891385 78.960 > 5 29 Se 0.47644195848075 0.91666666666667 0.61290114891385 78.960 > 5 30 Se 0.97644195848075 0.91666666666667 0.61290114891385 78.960 > 5 31 Se 0.02355804151925 0.08333333333333 0.38709885108615 78.960 > 6 32 Se 0.52355804151925 0.08333333333333 0.38709885108615 78.960 > 6 33 Se 0.02355804151925 0.41666666666667 0.38709885108615 78.960 > 6 34 Se 0.52355804151925 0.41666666666667 0.38709885108615 78.960 > 6 35 Se 0.02355804151925 0.75000000000000 0.38709885108615 78.960 > 6 36 Se 0.52355804151925 0.75000000000000 0.38709885108615 78.960 > 6 37 Se 0.22644195848075 0.25000000000000 0.88709885108615 78.960 > 7 38 Se 0.72644195848075 0.25000000000000 0.88709885108615 78.960 > 7 39 Se 0.22644195848075 0.58333333333333 0.88709885108615 78.960 > 7 40 Se 0.72644195848075 0.58333333333333 0.88709885108615 78.960 > 7 41 Se 0.22644195848075 0.91666666666667 0.88709885108615 78.960 > 7 42 Se 0.72644195848075 0.91666666666667 0.88709885108615 78.960 > 7 43 Se 0.27355804151925 0.08333333333333 0.11290114891385 78.960 > 8 44 Se 0.77355804151925 0.08333333333333 0.11290114891385 78.960 > 8 45 Se 0.27355804151925 0.41666666666667 0.11290114891385 78.960 > 8 46 Se 0.77355804151925 0.41666666666667 0.11290114891385 78.960 > 8 47 Se 0.27355804151925 0.75000000000000 0.11290114891385 78.960 > 8 48 Se 0.77355804151925 0.75000000000000 0.11290114891385 78.960 > 8 *49 Se 0.45862321203449 0.08333333333333 0.10474429264775 78.960 > 9 50 Se 0.95862321203449 0.08333333333333 0.10474429264775 78.960 > 9 51 Se 0.45862321203449 0.41666666666667 0.10474429264775 78.960 > 9 52 Se 0.95862321203449 0.41666666666667 0.10474429264775 78.960 > 9 53 Se 0.45862321203449 0.75000000000000 0.10474429264775 78.960 > 9 54 Se 0.95862321203449 0.75000000000000 0.10474429264775 78.960 > 9 55 Se 0.04137678796551 0.25000000000000 0.89525570735225 78.960 > 10 56 Se 0.54137678796551 0.25000000000000 0.89525570735225 78.960 > 10 57 Se 0.04137678796551 0.58333333333333 0.89525570735225 78.960 > 10 58 Se 0.54137678796551 0.58333333333333 0.89525570735225 78.960 > 10 59 Se 0.04137678796551 0.91666666666667 0.89525570735225 78.960 > 10 60 Se 0.54137678796551 0.91666666666667 0.89525570735225 78.960 > 10 61 Se 0.20862321203449 0.08333333333333 0.39525570735225 78.960 > 11 62 Se 0.70862321203449 0.08333333333333 0.39525570735225 78.960 > 11 63 Se 0.20862321203449 0.41666666666667 0.39525570735225 78.960 > 11 64 Se 0.70862321203449 0.41666666666667 0.39525570735225 78.960 > 11 65 Se 0.20862321203449 0.75000000000000 0.39525570735225 78.960 > 11 66 Se 0.70862321203449 0.75000000000000 0.39525570735225 78.960 > 11 67 Se 0.29137678796551 0.25000000000000 0.60474429264775 78.960 > 12 68 Se 0.79137678796551 0.25000000000000 0.60474429264775 78.960 > 12 69 Se 0.29137678796551 0.58333333333333 0.60474429264775 78.960 > 12 70 Se 0.79137678796551 0.58333333333333 0.60474429264775 78.960 > 12 71 Se 0.29137678796551 0.91666666666667 0.60474429264775 78.960 > 12 72 Se 0.79137678796551 0.91666666666667 0.60474429264775 78.960 > 12 *73 Se 0.36760181150401 0.25000000000000 0.32969592473911 78.960 > 13 74 Se 0.86760181150401 0.25000000000000 0.32969592473911 78.960 > 13 75 Se 0.36760181150401 0.58333333333333 0.32969592473911 78.960 > 13 76 Se 0.86760181150401 0.58333333333333 0.32969592473911 78.960 > 13 77 Se 0.36760181150401 0.91666666666667 0.32969592473911 78.960 > 13 78 Se 0.86760181150401 0.91666666666667 0.32969592473911 78.960 > 13 79 Se 0.13239818849599 0.08333333333333 0.67030407526089 78.960 > 14 80 Se 0.63239818849599 0.08333333333333 0.67030407526089 78.960 > 14 81 Se 0.13239818849599 0.41666666666667 0.67030407526089 78.960 > 14 82 Se 0.63239818849599 0.41666666666667 0.67030407526089 78.960 > 14 83 Se 0.13239818849599 0.75000000000000 0.67030407526089 78.960 > 14 84 Se 0.63239818849599 0.75000000000000 0.67030407526089 78.960 > 14 85 Se 0.11760181150401 0.25000000000000 0.17030407526089 78.960 > 15 86 Se 0.61760181150401 0.25000000000000 0.17030407526089 78.960 > 15 87 Se 0.11760181150401 0.58333333333333 0.17030407526089 78.960 > 15 88 Se 0.61760181150401 0.58333333333333 0.17030407526089 78.960 > 15 89 Se 0.11760181150401 0.91666666666667 0.17030407526089 78.960 > 15 90 Se 0.61760181150401 0.91666666666667 0.17030407526089 78.960 > 15 91 Se 0.38239818849599 0.08333333333333 0.82969592473911 78.960 > 16 92 Se 0.88239818849599 0.08333333333333 0.82969592473911 78.960 > 16 93 Se 0.38239818849599 0.41666666666667 0.82969592473911 78.960 > 16 94 Se 0.88239818849599 0.41666666666667 0.82969592473911 78.960 > 16 95 Se 0.38239818849599 0.75000000000000 0.82969592473911 78.960 > 16 96 Se 0.88239818849599 0.75000000000000 0.82969592473911 78.960 > 16 *97 Ho 0.24090843003033 0.25000000000000 0.25598684614611 164.930 > 17 98 Ho 0.74090843003033 0.25000000000000 0.25598684614611 164.930 > 17 99 Ho 0.24090843003033 0.58333333333333 0.25598684614611 164.930 > 17 100 Ho 0.74090843003033 0.58333333333333 0.25598684614611 164.930 > 17 101 Ho 0.24090843003033 0.91666666666667 0.25598684614611 164.930 > 17 102 Ho 0.74090843003033 0.91666666666667 0.25598684614611 164.930 > 17 103 Ho 0.25909156996967 0.08333333333333 0.74401315385389 164.930 > 18 104 Ho 0.75909156996967 0.08333333333333 0.74401315385389 164.930 > 18 105 Ho 0.25909156996967 0.41666666666667 0.74401315385389 164.930 > 18 106 Ho 0.75909156996967 0.41666666666667 0.74401315385389 164.930 > 18 107 Ho 0.25909156996967 0.75000000000000 0.74401315385389 164.930 > 18 108 Ho 0.75909156996967 0.75000000000000 0.74401315385389 164.930 > 18 109 Ho 0.49090843003033 0.25000000000000 0.24401315385389 164.930 > 19 110 Ho 0.99090843003033 0.25000000000000 0.24401315385389 164.930 > 19 111 Ho 0.49090843003033 0.58333333333333 0.24401315385389 164.930 > 19 112 Ho 0.99090843003033 0.58333333333333 0.24401315385389 164.930 > 19 113 Ho 0.49090843003033 0.91666666666667 0.24401315385389 164.930 > 19 114 Ho 0.99090843003033 0.91666666666667 0.24401315385389 164.930 > 19 115 Ho 0.00909156996967 0.08333333333333 0.75598684614611 164.930 > 20 116 Ho 0.50909156996967 0.08333333333333 0.75598684614611 164.930 > 20 117 Ho 0.00909156996967 0.41666666666667 0.75598684614611 164.930 > 20 118 Ho 0.50909156996967 0.41666666666667 0.75598684614611 164.930 > 20 119 Ho 0.00909156996967 0.75000000000000 0.75598684614611 164.930 > 20 120 Ho 0.50909156996967 0.75000000000000 0.75598684614611 164.930 > 20 *121 Pb 0.11298261851728 0.25000000000000 0.49359005144878 207.200 > 21 122 Pb 0.61298261851728 0.25000000000000 0.49359005144878 207.200 > 21 123 Pb 0.11298261851728 0.58333333333333 0.49359005144878 207.200 > 21 124 Pb 0.61298261851728 0.58333333333333 0.49359005144878 207.200 > 21 125 Pb 0.11298261851728 0.91666666666667 0.49359005144878 207.200 > 21 126 Pb 0.61298261851728 0.91666666666667 0.49359005144878 207.200 > 21 127 Pb 0.38701738148272 0.08333333333333 0.50640994855122 207.200 > 22 128 Pb 0.88701738148272 0.08333333333333 0.50640994855122 207.200 > 22 129 Pb 0.38701738148272 0.41666666666667 0.50640994855122 207.200 > 22 130 Pb 0.88701738148272 0.41666666666667 0.50640994855122 207.200 > 22 131 Pb 0.38701738148272 0.75000000000000 0.50640994855122 207.200 > 22 132 Pb 0.88701738148272 0.75000000000000 0.50640994855122 207.200 > 22 133 Pb 0.36298261851728 0.25000000000000 0.00640994855122 207.200 > 23 134 Pb 0.86298261851728 0.25000000000000 0.00640994855122 207.200 > 23 135 Pb 0.36298261851728 0.58333333333333 0.00640994855122 207.200 > 23 136 Pb 0.86298261851728 0.58333333333333 0.00640994855122 207.200 > 23 137 Pb 0.36298261851728 0.91666666666667 0.00640994855122 207.200 > 23 138 Pb 0.86298261851728 0.91666666666667 0.00640994855122 207.200 > 23 139 Pb 0.13701738148272 0.08333333333333 0.99359005144878 207.200 > 24 140 Pb 0.63701738148272 0.08333333333333 0.99359005144878 207.200 > 24 141 Pb 0.13701738148272 0.41666666666667 0.99359005144878 207.200 > 24 142 Pb 0.63701738148272 0.41666666666667 0.99359005144878 207.200 > 24 143 Pb 0.13701738148272 0.75000000000000 0.99359005144878 207.200 > 24 144 Pb 0.63701738148272 0.75000000000000 0.99359005144878 207.200 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.4901049 0.0000000 0.0000000 0.0000000 13.8491620 0.0000000 0.0000000 0.0000000 12.0213266 -------------------------- Born effective charges -------------------------- 1 Cu 0.3513189 0.0000000 -0.2031280 0.0000000 0.8934741 0.0000000 -0.1552095 0.0000000 0.7900012 2 Cu 0.3513189 0.0000000 -0.2031280 0.0000000 0.8934741 0.0000000 -0.1552095 0.0000000 0.7900012 3 Cu 0.3513189 0.0000000 0.2031280 0.0000000 0.8934741 0.0000000 0.1552095 0.0000000 0.7900012 4 Cu 0.3513189 0.0000000 0.2031280 0.0000000 0.8934741 0.0000000 0.1552095 0.0000000 0.7900012 5 Se -3.0151750 0.0000000 -0.6928165 0.0000000 -3.8480023 0.0000000 -0.0975623 0.0000000 -3.1498113 6 Se -3.0151750 0.0000000 -0.6928165 0.0000000 -3.8480023 0.0000000 -0.0975623 0.0000000 -3.1498113 7 Se -3.0151750 0.0000000 0.6928165 0.0000000 -3.8480023 0.0000000 0.0975623 0.0000000 -3.1498113 8 Se -3.0151750 0.0000000 0.6928165 0.0000000 -3.8480023 0.0000000 0.0975623 0.0000000 -3.1498113 9 Se -2.5397226 0.0000000 -1.3970889 0.0000000 -3.8447658 0.0000000 -0.7173719 0.0000000 -2.8205517 10 Se -2.5397226 0.0000000 -1.3970889 0.0000000 -3.8447658 0.0000000 -0.7173719 0.0000000 -2.8205517 11 Se -2.5397226 0.0000000 1.3970889 0.0000000 -3.8447658 0.0000000 0.7173719 0.0000000 -2.8205517 12 Se -2.5397226 0.0000000 1.3970889 0.0000000 -3.8447658 0.0000000 0.7173719 0.0000000 -2.8205517 13 Se -3.7338766 0.0000000 -0.4723606 0.0000000 -2.7610224 0.0000000 -0.2234985 0.0000000 -2.8147227 14 Se -3.7338766 0.0000000 -0.4723606 0.0000000 -2.7610224 0.0000000 -0.2234985 0.0000000 -2.8147227 15 Se -3.7338766 0.0000000 0.4723606 0.0000000 -2.7610224 0.0000000 0.2234985 0.0000000 -2.8147227 16 Se -3.7338766 0.0000000 0.4723606 0.0000000 -2.7610224 0.0000000 0.2234985 0.0000000 -2.8147227 17 Ho 4.9848904 0.0000000 -1.0283180 0.0000000 4.5244726 0.0000000 0.3996515 0.0000000 3.3466456 18 Ho 4.9848904 0.0000000 -1.0283180 0.0000000 4.5244726 0.0000000 0.3996515 0.0000000 3.3466456 19 Ho 4.9848904 0.0000000 1.0283180 0.0000000 4.5244726 0.0000000 -0.3996515 0.0000000 3.3466456 20 Ho 4.9848904 0.0000000 1.0283180 0.0000000 4.5244726 0.0000000 -0.3996515 0.0000000 3.3466456 21 Pb 3.9525649 0.0000000 -0.0318135 0.0000000 5.0358437 0.0000000 -0.4205644 0.0000000 4.6484388 22 Pb 3.9525649 0.0000000 -0.0318135 0.0000000 5.0358437 0.0000000 -0.4205644 0.0000000 4.6484388 23 Pb 3.9525649 0.0000000 0.0318135 0.0000000 5.0358437 0.0000000 0.4205644 0.0000000 4.6484388 24 Pb 3.9525649 0.0000000 0.0318135 0.0000000 5.0358437 0.0000000 0.4205644 0.0000000 4.6484388 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.709 Solver_block: 200 / 400 - Time: 0.681 Solver_block: 300 / 400 - Time: 0.665 Solver_block: 400 / 400 - Time: 0.669 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.800 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), 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 2026-01-07 21:25:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:25:44]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.401031590000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.989465399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.366129219999998 Atomic positions (fractional): 1 Cu 0.23795984082350 0.25000000000000 0.27976766695298 63.546 2 Cu 0.76204015917650 0.75000000000000 0.72023233304702 63.546 3 Cu 0.73795984082350 0.25000000000000 0.22023233304702 63.546 4 Cu 0.26204015917650 0.75000000000000 0.77976766695298 63.546 5 Se 0.95288391696151 0.75000000000000 0.61290114891385 78.960 6 Se 0.04711608303849 0.25000000000000 0.38709885108615 78.960 7 Se 0.45288391696151 0.75000000000000 0.88709885108615 78.960 8 Se 0.54711608303849 0.25000000000000 0.11290114891385 78.960 9 Se 0.91724642406898 0.25000000000000 0.10474429264775 78.960 10 Se 0.08275357593103 0.75000000000000 0.89525570735225 78.960 11 Se 0.41724642406897 0.25000000000000 0.39525570735225 78.960 12 Se 0.58275357593102 0.75000000000000 0.60474429264775 78.960 13 Se 0.73520362300803 0.75000000000000 0.32969592473911 78.960 14 Se 0.26479637699197 0.25000000000000 0.67030407526089 78.960 15 Se 0.23520362300803 0.75000000000000 0.17030407526089 78.960 16 Se 0.76479637699197 0.25000000000000 0.82969592473911 78.960 17 Ho 0.48181686006066 0.75000000000000 0.25598684614611 164.930 18 Ho 0.51818313993934 0.25000000000000 0.74401315385389 164.930 19 Ho 0.98181686006066 0.75000000000000 0.24401315385389 164.930 20 Ho 0.01818313993934 0.25000000000000 0.75598684614611 164.930 21 Pb 0.22596523703457 0.75000000000000 0.49359005144878 207.200 22 Pb 0.77403476296543 0.25000000000000 0.50640994855122 207.200 23 Pb 0.72596523703457 0.75000000000000 0.00640994855122 207.200 24 Pb 0.27403476296543 0.25000000000000 0.99359005144878 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.802063180000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.968396199999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.366129219999998 Atomic positions (fractional): 1 Cu 0.11897992041175 0.08333333333333 0.27976766695298 63.546 > 1 2 Cu 0.61897992041175 0.08333333333333 0.27976766695298 63.546 > 1 3 Cu 0.11897992041175 0.41666666666667 0.27976766695298 63.546 > 1 4 Cu 0.61897992041175 0.41666666666667 0.27976766695298 63.546 > 1 5 Cu 0.11897992041175 0.75000000000000 0.27976766695298 63.546 > 1 6 Cu 0.61897992041175 0.75000000000000 0.27976766695298 63.546 > 1 7 Cu 0.38102007958825 0.25000000000000 0.72023233304702 63.546 > 7 8 Cu 0.88102007958825 0.25000000000000 0.72023233304702 63.546 > 7 9 Cu 0.38102007958825 0.58333333333333 0.72023233304702 63.546 > 7 10 Cu 0.88102007958825 0.58333333333333 0.72023233304702 63.546 > 7 11 Cu 0.38102007958825 0.91666666666667 0.72023233304702 63.546 > 7 12 Cu 0.88102007958825 0.91666666666667 0.72023233304702 63.546 > 7 13 Cu 0.36897992041175 0.08333333333333 0.22023233304702 63.546 > 13 14 Cu 0.86897992041175 0.08333333333333 0.22023233304702 63.546 > 13 15 Cu 0.36897992041175 0.41666666666667 0.22023233304702 63.546 > 13 16 Cu 0.86897992041175 0.41666666666667 0.22023233304702 63.546 > 13 17 Cu 0.36897992041175 0.75000000000000 0.22023233304702 63.546 > 13 18 Cu 0.86897992041175 0.75000000000000 0.22023233304702 63.546 > 13 19 Cu 0.13102007958825 0.25000000000000 0.77976766695298 63.546 > 19 20 Cu 0.63102007958825 0.25000000000000 0.77976766695298 63.546 > 19 21 Cu 0.13102007958825 0.58333333333333 0.77976766695298 63.546 > 19 22 Cu 0.63102007958825 0.58333333333333 0.77976766695298 63.546 > 19 23 Cu 0.13102007958825 0.91666666666667 0.77976766695298 63.546 > 19 24 Cu 0.63102007958825 0.91666666666667 0.77976766695298 63.546 > 19 25 Se 0.47644195848075 0.25000000000000 0.61290114891385 78.960 > 25 26 Se 0.97644195848075 0.25000000000000 0.61290114891385 78.960 > 25 27 Se 0.47644195848075 0.58333333333333 0.61290114891385 78.960 > 25 28 Se 0.97644195848075 0.58333333333333 0.61290114891385 78.960 > 25 29 Se 0.47644195848075 0.91666666666667 0.61290114891385 78.960 > 25 30 Se 0.97644195848075 0.91666666666667 0.61290114891385 78.960 > 25 31 Se 0.02355804151925 0.08333333333333 0.38709885108615 78.960 > 31 32 Se 0.52355804151925 0.08333333333333 0.38709885108615 78.960 > 31 33 Se 0.02355804151925 0.41666666666667 0.38709885108615 78.960 > 31 34 Se 0.52355804151925 0.41666666666667 0.38709885108615 78.960 > 31 35 Se 0.02355804151925 0.75000000000000 0.38709885108615 78.960 > 31 36 Se 0.52355804151925 0.75000000000000 0.38709885108615 78.960 > 31 37 Se 0.22644195848075 0.25000000000000 0.88709885108615 78.960 > 37 38 Se 0.72644195848075 0.25000000000000 0.88709885108615 78.960 > 37 39 Se 0.22644195848075 0.58333333333333 0.88709885108615 78.960 > 37 40 Se 0.72644195848075 0.58333333333333 0.88709885108615 78.960 > 37 41 Se 0.22644195848075 0.91666666666667 0.88709885108615 78.960 > 37 42 Se 0.72644195848075 0.91666666666667 0.88709885108615 78.960 > 37 43 Se 0.27355804151925 0.08333333333333 0.11290114891385 78.960 > 43 44 Se 0.77355804151925 0.08333333333333 0.11290114891385 78.960 > 43 45 Se 0.27355804151925 0.41666666666667 0.11290114891385 78.960 > 43 46 Se 0.77355804151925 0.41666666666667 0.11290114891385 78.960 > 43 47 Se 0.27355804151925 0.75000000000000 0.11290114891385 78.960 > 43 48 Se 0.77355804151925 0.75000000000000 0.11290114891385 78.960 > 43 49 Se 0.45862321203449 0.08333333333333 0.10474429264775 78.960 > 49 50 Se 0.95862321203449 0.08333333333333 0.10474429264775 78.960 > 49 51 Se 0.45862321203449 0.41666666666667 0.10474429264775 78.960 > 49 52 Se 0.95862321203449 0.41666666666667 0.10474429264775 78.960 > 49 53 Se 0.45862321203449 0.75000000000000 0.10474429264775 78.960 > 49 54 Se 0.95862321203449 0.75000000000000 0.10474429264775 78.960 > 49 55 Se 0.04137678796551 0.25000000000000 0.89525570735225 78.960 > 55 56 Se 0.54137678796551 0.25000000000000 0.89525570735225 78.960 > 55 57 Se 0.04137678796551 0.58333333333333 0.89525570735225 78.960 > 55 58 Se 0.54137678796551 0.58333333333333 0.89525570735225 78.960 > 55 59 Se 0.04137678796551 0.91666666666667 0.89525570735225 78.960 > 55 60 Se 0.54137678796551 0.91666666666667 0.89525570735225 78.960 > 55 61 Se 0.20862321203449 0.08333333333333 0.39525570735225 78.960 > 61 62 Se 0.70862321203449 0.08333333333333 0.39525570735225 78.960 > 61 63 Se 0.20862321203449 0.41666666666667 0.39525570735225 78.960 > 61 64 Se 0.70862321203449 0.41666666666667 0.39525570735225 78.960 > 61 65 Se 0.20862321203449 0.75000000000000 0.39525570735225 78.960 > 61 66 Se 0.70862321203449 0.75000000000000 0.39525570735225 78.960 > 61 67 Se 0.29137678796551 0.25000000000000 0.60474429264775 78.960 > 67 68 Se 0.79137678796551 0.25000000000000 0.60474429264775 78.960 > 67 69 Se 0.29137678796551 0.58333333333333 0.60474429264775 78.960 > 67 70 Se 0.79137678796551 0.58333333333333 0.60474429264775 78.960 > 67 71 Se 0.29137678796551 0.91666666666667 0.60474429264775 78.960 > 67 72 Se 0.79137678796551 0.91666666666667 0.60474429264775 78.960 > 67 73 Se 0.36760181150401 0.25000000000000 0.32969592473911 78.960 > 73 74 Se 0.86760181150401 0.25000000000000 0.32969592473911 78.960 > 73 75 Se 0.36760181150401 0.58333333333333 0.32969592473911 78.960 > 73 76 Se 0.86760181150401 0.58333333333333 0.32969592473911 78.960 > 73 77 Se 0.36760181150401 0.91666666666667 0.32969592473911 78.960 > 73 78 Se 0.86760181150401 0.91666666666667 0.32969592473911 78.960 > 73 79 Se 0.13239818849599 0.08333333333333 0.67030407526089 78.960 > 79 80 Se 0.63239818849599 0.08333333333333 0.67030407526089 78.960 > 79 81 Se 0.13239818849599 0.41666666666667 0.67030407526089 78.960 > 79 82 Se 0.63239818849599 0.41666666666667 0.67030407526089 78.960 > 79 83 Se 0.13239818849599 0.75000000000000 0.67030407526089 78.960 > 79 84 Se 0.63239818849599 0.75000000000000 0.67030407526089 78.960 > 79 85 Se 0.11760181150401 0.25000000000000 0.17030407526089 78.960 > 85 86 Se 0.61760181150401 0.25000000000000 0.17030407526089 78.960 > 85 87 Se 0.11760181150401 0.58333333333333 0.17030407526089 78.960 > 85 88 Se 0.61760181150401 0.58333333333333 0.17030407526089 78.960 > 85 89 Se 0.11760181150401 0.91666666666667 0.17030407526089 78.960 > 85 90 Se 0.61760181150401 0.91666666666667 0.17030407526089 78.960 > 85 91 Se 0.38239818849599 0.08333333333333 0.82969592473911 78.960 > 91 92 Se 0.88239818849599 0.08333333333333 0.82969592473911 78.960 > 91 93 Se 0.38239818849599 0.41666666666667 0.82969592473911 78.960 > 91 94 Se 0.88239818849599 0.41666666666667 0.82969592473911 78.960 > 91 95 Se 0.38239818849599 0.75000000000000 0.82969592473911 78.960 > 91 96 Se 0.88239818849599 0.75000000000000 0.82969592473911 78.960 > 91 97 Ho 0.24090843003033 0.25000000000000 0.25598684614611 164.930 > 97 98 Ho 0.74090843003033 0.25000000000000 0.25598684614611 164.930 > 97 99 Ho 0.24090843003033 0.58333333333333 0.25598684614611 164.930 > 97 100 Ho 0.74090843003033 0.58333333333333 0.25598684614611 164.930 > 97 101 Ho 0.24090843003033 0.91666666666667 0.25598684614611 164.930 > 97 102 Ho 0.74090843003033 0.91666666666667 0.25598684614611 164.930 > 97 103 Ho 0.25909156996967 0.08333333333333 0.74401315385389 164.930 > 103 104 Ho 0.75909156996967 0.08333333333333 0.74401315385389 164.930 > 103 105 Ho 0.25909156996967 0.41666666666667 0.74401315385389 164.930 > 103 106 Ho 0.75909156996967 0.41666666666667 0.74401315385389 164.930 > 103 107 Ho 0.25909156996967 0.75000000000000 0.74401315385389 164.930 > 103 108 Ho 0.75909156996967 0.75000000000000 0.74401315385389 164.930 > 103 109 Ho 0.49090843003033 0.25000000000000 0.24401315385389 164.930 > 109 110 Ho 0.99090843003033 0.25000000000000 0.24401315385389 164.930 > 109 111 Ho 0.49090843003033 0.58333333333333 0.24401315385389 164.930 > 109 112 Ho 0.99090843003033 0.58333333333333 0.24401315385389 164.930 > 109 113 Ho 0.49090843003033 0.91666666666667 0.24401315385389 164.930 > 109 114 Ho 0.99090843003033 0.91666666666667 0.24401315385389 164.930 > 109 115 Ho 0.00909156996967 0.08333333333333 0.75598684614611 164.930 > 115 116 Ho 0.50909156996967 0.08333333333333 0.75598684614611 164.930 > 115 117 Ho 0.00909156996967 0.41666666666667 0.75598684614611 164.930 > 115 118 Ho 0.50909156996967 0.41666666666667 0.75598684614611 164.930 > 115 119 Ho 0.00909156996967 0.75000000000000 0.75598684614611 164.930 > 115 120 Ho 0.50909156996967 0.75000000000000 0.75598684614611 164.930 > 115 121 Pb 0.11298261851728 0.25000000000000 0.49359005144878 207.200 > 121 122 Pb 0.61298261851728 0.25000000000000 0.49359005144878 207.200 > 121 123 Pb 0.11298261851728 0.58333333333333 0.49359005144878 207.200 > 121 124 Pb 0.61298261851728 0.58333333333333 0.49359005144878 207.200 > 121 125 Pb 0.11298261851728 0.91666666666667 0.49359005144878 207.200 > 121 126 Pb 0.61298261851728 0.91666666666667 0.49359005144878 207.200 > 121 127 Pb 0.38701738148272 0.08333333333333 0.50640994855122 207.200 > 127 128 Pb 0.88701738148272 0.08333333333333 0.50640994855122 207.200 > 127 129 Pb 0.38701738148272 0.41666666666667 0.50640994855122 207.200 > 127 130 Pb 0.88701738148272 0.41666666666667 0.50640994855122 207.200 > 127 131 Pb 0.38701738148272 0.75000000000000 0.50640994855122 207.200 > 127 132 Pb 0.88701738148272 0.75000000000000 0.50640994855122 207.200 > 127 133 Pb 0.36298261851728 0.25000000000000 0.00640994855122 207.200 > 133 134 Pb 0.86298261851728 0.25000000000000 0.00640994855122 207.200 > 133 135 Pb 0.36298261851728 0.58333333333333 0.00640994855122 207.200 > 133 136 Pb 0.86298261851728 0.58333333333333 0.00640994855122 207.200 > 133 137 Pb 0.36298261851728 0.91666666666667 0.00640994855122 207.200 > 133 138 Pb 0.86298261851728 0.91666666666667 0.00640994855122 207.200 > 133 139 Pb 0.13701738148272 0.08333333333333 0.99359005144878 207.200 > 139 140 Pb 0.63701738148272 0.08333333333333 0.99359005144878 207.200 > 139 141 Pb 0.13701738148272 0.41666666666667 0.99359005144878 207.200 > 139 142 Pb 0.63701738148272 0.41666666666667 0.99359005144878 207.200 > 139 143 Pb 0.13701738148272 0.75000000000000 0.99359005144878 207.200 > 139 144 Pb 0.63701738148272 0.75000000000000 0.99359005144878 207.200 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.4901049 0.0000000 0.0000000 0.0000000 13.8491620 0.0000000 0.0000000 0.0000000 12.0213266 -------------------------- Born effective charges -------------------------- 1 Cu 0.3513189 0.0000000 -0.2031280 0.0000000 0.8934741 0.0000000 -0.1552095 0.0000000 0.7900012 2 Cu 0.3513189 0.0000000 -0.2031280 0.0000000 0.8934741 0.0000000 -0.1552095 0.0000000 0.7900012 3 Cu 0.3513189 0.0000000 0.2031280 0.0000000 0.8934741 0.0000000 0.1552095 0.0000000 0.7900012 4 Cu 0.3513189 0.0000000 0.2031280 0.0000000 0.8934741 0.0000000 0.1552095 0.0000000 0.7900012 5 Se -3.0151750 0.0000000 -0.6928165 0.0000000 -3.8480023 0.0000000 -0.0975623 0.0000000 -3.1498113 6 Se -3.0151750 0.0000000 -0.6928165 0.0000000 -3.8480023 0.0000000 -0.0975623 0.0000000 -3.1498113 7 Se -3.0151750 0.0000000 0.6928165 0.0000000 -3.8480023 0.0000000 0.0975623 0.0000000 -3.1498113 8 Se -3.0151750 0.0000000 0.6928165 0.0000000 -3.8480023 0.0000000 0.0975623 0.0000000 -3.1498113 9 Se -2.5397226 0.0000000 -1.3970889 0.0000000 -3.8447658 0.0000000 -0.7173719 0.0000000 -2.8205517 10 Se -2.5397226 0.0000000 -1.3970889 0.0000000 -3.8447658 0.0000000 -0.7173719 0.0000000 -2.8205517 11 Se -2.5397226 0.0000000 1.3970889 0.0000000 -3.8447658 0.0000000 0.7173719 0.0000000 -2.8205517 12 Se -2.5397226 0.0000000 1.3970889 0.0000000 -3.8447658 0.0000000 0.7173719 0.0000000 -2.8205517 13 Se -3.7338766 0.0000000 -0.4723606 0.0000000 -2.7610224 0.0000000 -0.2234985 0.0000000 -2.8147227 14 Se -3.7338766 0.0000000 -0.4723606 0.0000000 -2.7610224 0.0000000 -0.2234985 0.0000000 -2.8147227 15 Se -3.7338766 0.0000000 0.4723606 0.0000000 -2.7610224 0.0000000 0.2234985 0.0000000 -2.8147227 16 Se -3.7338766 0.0000000 0.4723606 0.0000000 -2.7610224 0.0000000 0.2234985 0.0000000 -2.8147227 17 Ho 4.9848904 0.0000000 -1.0283180 0.0000000 4.5244726 0.0000000 0.3996515 0.0000000 3.3466456 18 Ho 4.9848904 0.0000000 -1.0283180 0.0000000 4.5244726 0.0000000 0.3996515 0.0000000 3.3466456 19 Ho 4.9848904 0.0000000 1.0283180 0.0000000 4.5244726 0.0000000 -0.3996515 0.0000000 3.3466456 20 Ho 4.9848904 0.0000000 1.0283180 0.0000000 4.5244726 0.0000000 -0.3996515 0.0000000 3.3466456 21 Pb 3.9525649 0.0000000 -0.0318135 0.0000000 5.0358437 0.0000000 -0.4205644 0.0000000 4.6484388 22 Pb 3.9525649 0.0000000 -0.0318135 0.0000000 5.0358437 0.0000000 -0.4205644 0.0000000 4.6484388 23 Pb 3.9525649 0.0000000 0.0318135 0.0000000 5.0358437 0.0000000 0.4205644 0.0000000 4.6484388 24 Pb 3.9525649 0.0000000 0.0318135 0.0000000 5.0358437 0.0000000 0.4205644 0.0000000 4.6484388 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:26:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:26:16]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.401031590000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.989465399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.366129219999998 Atomic positions (fractional): 1 Cu 0.23795984082350 0.25000000000000 0.27976766695298 63.546 2 Cu 0.76204015917650 0.75000000000000 0.72023233304702 63.546 3 Cu 0.73795984082350 0.25000000000000 0.22023233304702 63.546 4 Cu 0.26204015917650 0.75000000000000 0.77976766695298 63.546 5 Se 0.95288391696151 0.75000000000000 0.61290114891385 78.960 6 Se 0.04711608303849 0.25000000000000 0.38709885108615 78.960 7 Se 0.45288391696151 0.75000000000000 0.88709885108615 78.960 8 Se 0.54711608303849 0.25000000000000 0.11290114891385 78.960 9 Se 0.91724642406898 0.25000000000000 0.10474429264775 78.960 10 Se 0.08275357593103 0.75000000000000 0.89525570735225 78.960 11 Se 0.41724642406897 0.25000000000000 0.39525570735225 78.960 12 Se 0.58275357593102 0.75000000000000 0.60474429264775 78.960 13 Se 0.73520362300803 0.75000000000000 0.32969592473911 78.960 14 Se 0.26479637699197 0.25000000000000 0.67030407526089 78.960 15 Se 0.23520362300803 0.75000000000000 0.17030407526089 78.960 16 Se 0.76479637699197 0.25000000000000 0.82969592473911 78.960 17 Ho 0.48181686006066 0.75000000000000 0.25598684614611 164.930 18 Ho 0.51818313993934 0.25000000000000 0.74401315385389 164.930 19 Ho 0.98181686006066 0.75000000000000 0.24401315385389 164.930 20 Ho 0.01818313993934 0.25000000000000 0.75598684614611 164.930 21 Pb 0.22596523703457 0.75000000000000 0.49359005144878 207.200 22 Pb 0.77403476296543 0.25000000000000 0.50640994855122 207.200 23 Pb 0.72596523703457 0.75000000000000 0.00640994855122 207.200 24 Pb 0.27403476296543 0.25000000000000 0.99359005144878 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.802063180000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.968396199999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.366129219999998 Atomic positions (fractional): 1 Cu 0.11897992041175 0.08333333333333 0.27976766695298 63.546 > 1 2 Cu 0.61897992041175 0.08333333333333 0.27976766695298 63.546 > 1 3 Cu 0.11897992041175 0.41666666666667 0.27976766695298 63.546 > 1 4 Cu 0.61897992041175 0.41666666666667 0.27976766695298 63.546 > 1 5 Cu 0.11897992041175 0.75000000000000 0.27976766695298 63.546 > 1 6 Cu 0.61897992041175 0.75000000000000 0.27976766695298 63.546 > 1 7 Cu 0.38102007958825 0.25000000000000 0.72023233304702 63.546 > 7 8 Cu 0.88102007958825 0.25000000000000 0.72023233304702 63.546 > 7 9 Cu 0.38102007958825 0.58333333333333 0.72023233304702 63.546 > 7 10 Cu 0.88102007958825 0.58333333333333 0.72023233304702 63.546 > 7 11 Cu 0.38102007958825 0.91666666666667 0.72023233304702 63.546 > 7 12 Cu 0.88102007958825 0.91666666666667 0.72023233304702 63.546 > 7 13 Cu 0.36897992041175 0.08333333333333 0.22023233304702 63.546 > 13 14 Cu 0.86897992041175 0.08333333333333 0.22023233304702 63.546 > 13 15 Cu 0.36897992041175 0.41666666666667 0.22023233304702 63.546 > 13 16 Cu 0.86897992041175 0.41666666666667 0.22023233304702 63.546 > 13 17 Cu 0.36897992041175 0.75000000000000 0.22023233304702 63.546 > 13 18 Cu 0.86897992041175 0.75000000000000 0.22023233304702 63.546 > 13 19 Cu 0.13102007958825 0.25000000000000 0.77976766695298 63.546 > 19 20 Cu 0.63102007958825 0.25000000000000 0.77976766695298 63.546 > 19 21 Cu 0.13102007958825 0.58333333333333 0.77976766695298 63.546 > 19 22 Cu 0.63102007958825 0.58333333333333 0.77976766695298 63.546 > 19 23 Cu 0.13102007958825 0.91666666666667 0.77976766695298 63.546 > 19 24 Cu 0.63102007958825 0.91666666666667 0.77976766695298 63.546 > 19 25 Se 0.47644195848075 0.25000000000000 0.61290114891385 78.960 > 25 26 Se 0.97644195848075 0.25000000000000 0.61290114891385 78.960 > 25 27 Se 0.47644195848075 0.58333333333333 0.61290114891385 78.960 > 25 28 Se 0.97644195848075 0.58333333333333 0.61290114891385 78.960 > 25 29 Se 0.47644195848075 0.91666666666667 0.61290114891385 78.960 > 25 30 Se 0.97644195848075 0.91666666666667 0.61290114891385 78.960 > 25 31 Se 0.02355804151925 0.08333333333333 0.38709885108615 78.960 > 31 32 Se 0.52355804151925 0.08333333333333 0.38709885108615 78.960 > 31 33 Se 0.02355804151925 0.41666666666667 0.38709885108615 78.960 > 31 34 Se 0.52355804151925 0.41666666666667 0.38709885108615 78.960 > 31 35 Se 0.02355804151925 0.75000000000000 0.38709885108615 78.960 > 31 36 Se 0.52355804151925 0.75000000000000 0.38709885108615 78.960 > 31 37 Se 0.22644195848075 0.25000000000000 0.88709885108615 78.960 > 37 38 Se 0.72644195848075 0.25000000000000 0.88709885108615 78.960 > 37 39 Se 0.22644195848075 0.58333333333333 0.88709885108615 78.960 > 37 40 Se 0.72644195848075 0.58333333333333 0.88709885108615 78.960 > 37 41 Se 0.22644195848075 0.91666666666667 0.88709885108615 78.960 > 37 42 Se 0.72644195848075 0.91666666666667 0.88709885108615 78.960 > 37 43 Se 0.27355804151925 0.08333333333333 0.11290114891385 78.960 > 43 44 Se 0.77355804151925 0.08333333333333 0.11290114891385 78.960 > 43 45 Se 0.27355804151925 0.41666666666667 0.11290114891385 78.960 > 43 46 Se 0.77355804151925 0.41666666666667 0.11290114891385 78.960 > 43 47 Se 0.27355804151925 0.75000000000000 0.11290114891385 78.960 > 43 48 Se 0.77355804151925 0.75000000000000 0.11290114891385 78.960 > 43 49 Se 0.45862321203449 0.08333333333333 0.10474429264775 78.960 > 49 50 Se 0.95862321203449 0.08333333333333 0.10474429264775 78.960 > 49 51 Se 0.45862321203449 0.41666666666667 0.10474429264775 78.960 > 49 52 Se 0.95862321203449 0.41666666666667 0.10474429264775 78.960 > 49 53 Se 0.45862321203449 0.75000000000000 0.10474429264775 78.960 > 49 54 Se 0.95862321203449 0.75000000000000 0.10474429264775 78.960 > 49 55 Se 0.04137678796551 0.25000000000000 0.89525570735225 78.960 > 55 56 Se 0.54137678796551 0.25000000000000 0.89525570735225 78.960 > 55 57 Se 0.04137678796551 0.58333333333333 0.89525570735225 78.960 > 55 58 Se 0.54137678796551 0.58333333333333 0.89525570735225 78.960 > 55 59 Se 0.04137678796551 0.91666666666667 0.89525570735225 78.960 > 55 60 Se 0.54137678796551 0.91666666666667 0.89525570735225 78.960 > 55 61 Se 0.20862321203449 0.08333333333333 0.39525570735225 78.960 > 61 62 Se 0.70862321203449 0.08333333333333 0.39525570735225 78.960 > 61 63 Se 0.20862321203449 0.41666666666667 0.39525570735225 78.960 > 61 64 Se 0.70862321203449 0.41666666666667 0.39525570735225 78.960 > 61 65 Se 0.20862321203449 0.75000000000000 0.39525570735225 78.960 > 61 66 Se 0.70862321203449 0.75000000000000 0.39525570735225 78.960 > 61 67 Se 0.29137678796551 0.25000000000000 0.60474429264775 78.960 > 67 68 Se 0.79137678796551 0.25000000000000 0.60474429264775 78.960 > 67 69 Se 0.29137678796551 0.58333333333333 0.60474429264775 78.960 > 67 70 Se 0.79137678796551 0.58333333333333 0.60474429264775 78.960 > 67 71 Se 0.29137678796551 0.91666666666667 0.60474429264775 78.960 > 67 72 Se 0.79137678796551 0.91666666666667 0.60474429264775 78.960 > 67 73 Se 0.36760181150401 0.25000000000000 0.32969592473911 78.960 > 73 74 Se 0.86760181150401 0.25000000000000 0.32969592473911 78.960 > 73 75 Se 0.36760181150401 0.58333333333333 0.32969592473911 78.960 > 73 76 Se 0.86760181150401 0.58333333333333 0.32969592473911 78.960 > 73 77 Se 0.36760181150401 0.91666666666667 0.32969592473911 78.960 > 73 78 Se 0.86760181150401 0.91666666666667 0.32969592473911 78.960 > 73 79 Se 0.13239818849599 0.08333333333333 0.67030407526089 78.960 > 79 80 Se 0.63239818849599 0.08333333333333 0.67030407526089 78.960 > 79 81 Se 0.13239818849599 0.41666666666667 0.67030407526089 78.960 > 79 82 Se 0.63239818849599 0.41666666666667 0.67030407526089 78.960 > 79 83 Se 0.13239818849599 0.75000000000000 0.67030407526089 78.960 > 79 84 Se 0.63239818849599 0.75000000000000 0.67030407526089 78.960 > 79 85 Se 0.11760181150401 0.25000000000000 0.17030407526089 78.960 > 85 86 Se 0.61760181150401 0.25000000000000 0.17030407526089 78.960 > 85 87 Se 0.11760181150401 0.58333333333333 0.17030407526089 78.960 > 85 88 Se 0.61760181150401 0.58333333333333 0.17030407526089 78.960 > 85 89 Se 0.11760181150401 0.91666666666667 0.17030407526089 78.960 > 85 90 Se 0.61760181150401 0.91666666666667 0.17030407526089 78.960 > 85 91 Se 0.38239818849599 0.08333333333333 0.82969592473911 78.960 > 91 92 Se 0.88239818849599 0.08333333333333 0.82969592473911 78.960 > 91 93 Se 0.38239818849599 0.41666666666667 0.82969592473911 78.960 > 91 94 Se 0.88239818849599 0.41666666666667 0.82969592473911 78.960 > 91 95 Se 0.38239818849599 0.75000000000000 0.82969592473911 78.960 > 91 96 Se 0.88239818849599 0.75000000000000 0.82969592473911 78.960 > 91 97 Ho 0.24090843003033 0.25000000000000 0.25598684614611 164.930 > 97 98 Ho 0.74090843003033 0.25000000000000 0.25598684614611 164.930 > 97 99 Ho 0.24090843003033 0.58333333333333 0.25598684614611 164.930 > 97 100 Ho 0.74090843003033 0.58333333333333 0.25598684614611 164.930 > 97 101 Ho 0.24090843003033 0.91666666666667 0.25598684614611 164.930 > 97 102 Ho 0.74090843003033 0.91666666666667 0.25598684614611 164.930 > 97 103 Ho 0.25909156996967 0.08333333333333 0.74401315385389 164.930 > 103 104 Ho 0.75909156996967 0.08333333333333 0.74401315385389 164.930 > 103 105 Ho 0.25909156996967 0.41666666666667 0.74401315385389 164.930 > 103 106 Ho 0.75909156996967 0.41666666666667 0.74401315385389 164.930 > 103 107 Ho 0.25909156996967 0.75000000000000 0.74401315385389 164.930 > 103 108 Ho 0.75909156996967 0.75000000000000 0.74401315385389 164.930 > 103 109 Ho 0.49090843003033 0.25000000000000 0.24401315385389 164.930 > 109 110 Ho 0.99090843003033 0.25000000000000 0.24401315385389 164.930 > 109 111 Ho 0.49090843003033 0.58333333333333 0.24401315385389 164.930 > 109 112 Ho 0.99090843003033 0.58333333333333 0.24401315385389 164.930 > 109 113 Ho 0.49090843003033 0.91666666666667 0.24401315385389 164.930 > 109 114 Ho 0.99090843003033 0.91666666666667 0.24401315385389 164.930 > 109 115 Ho 0.00909156996967 0.08333333333333 0.75598684614611 164.930 > 115 116 Ho 0.50909156996967 0.08333333333333 0.75598684614611 164.930 > 115 117 Ho 0.00909156996967 0.41666666666667 0.75598684614611 164.930 > 115 118 Ho 0.50909156996967 0.41666666666667 0.75598684614611 164.930 > 115 119 Ho 0.00909156996967 0.75000000000000 0.75598684614611 164.930 > 115 120 Ho 0.50909156996967 0.75000000000000 0.75598684614611 164.930 > 115 121 Pb 0.11298261851728 0.25000000000000 0.49359005144878 207.200 > 121 122 Pb 0.61298261851728 0.25000000000000 0.49359005144878 207.200 > 121 123 Pb 0.11298261851728 0.58333333333333 0.49359005144878 207.200 > 121 124 Pb 0.61298261851728 0.58333333333333 0.49359005144878 207.200 > 121 125 Pb 0.11298261851728 0.91666666666667 0.49359005144878 207.200 > 121 126 Pb 0.61298261851728 0.91666666666667 0.49359005144878 207.200 > 121 127 Pb 0.38701738148272 0.08333333333333 0.50640994855122 207.200 > 127 128 Pb 0.88701738148272 0.08333333333333 0.50640994855122 207.200 > 127 129 Pb 0.38701738148272 0.41666666666667 0.50640994855122 207.200 > 127 130 Pb 0.88701738148272 0.41666666666667 0.50640994855122 207.200 > 127 131 Pb 0.38701738148272 0.75000000000000 0.50640994855122 207.200 > 127 132 Pb 0.88701738148272 0.75000000000000 0.50640994855122 207.200 > 127 133 Pb 0.36298261851728 0.25000000000000 0.00640994855122 207.200 > 133 134 Pb 0.86298261851728 0.25000000000000 0.00640994855122 207.200 > 133 135 Pb 0.36298261851728 0.58333333333333 0.00640994855122 207.200 > 133 136 Pb 0.86298261851728 0.58333333333333 0.00640994855122 207.200 > 133 137 Pb 0.36298261851728 0.91666666666667 0.00640994855122 207.200 > 133 138 Pb 0.86298261851728 0.91666666666667 0.00640994855122 207.200 > 133 139 Pb 0.13701738148272 0.08333333333333 0.99359005144878 207.200 > 139 140 Pb 0.63701738148272 0.08333333333333 0.99359005144878 207.200 > 139 141 Pb 0.13701738148272 0.41666666666667 0.99359005144878 207.200 > 139 142 Pb 0.63701738148272 0.41666666666667 0.99359005144878 207.200 > 139 143 Pb 0.13701738148272 0.75000000000000 0.99359005144878 207.200 > 139 144 Pb 0.63701738148272 0.75000000000000 0.99359005144878 207.200 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.4901049 0.0000000 0.0000000 0.0000000 13.8491620 0.0000000 0.0000000 0.0000000 12.0213266 -------------------------- Born effective charges -------------------------- 1 Cu 0.3513189 0.0000000 -0.2031280 0.0000000 0.8934741 0.0000000 -0.1552095 0.0000000 0.7900012 2 Cu 0.3513189 0.0000000 -0.2031280 0.0000000 0.8934741 0.0000000 -0.1552095 0.0000000 0.7900012 3 Cu 0.3513189 0.0000000 0.2031280 0.0000000 0.8934741 0.0000000 0.1552095 0.0000000 0.7900012 4 Cu 0.3513189 0.0000000 0.2031280 0.0000000 0.8934741 0.0000000 0.1552095 0.0000000 0.7900012 5 Se -3.0151750 0.0000000 -0.6928165 0.0000000 -3.8480023 0.0000000 -0.0975623 0.0000000 -3.1498113 6 Se -3.0151750 0.0000000 -0.6928165 0.0000000 -3.8480023 0.0000000 -0.0975623 0.0000000 -3.1498113 7 Se -3.0151750 0.0000000 0.6928165 0.0000000 -3.8480023 0.0000000 0.0975623 0.0000000 -3.1498113 8 Se -3.0151750 0.0000000 0.6928165 0.0000000 -3.8480023 0.0000000 0.0975623 0.0000000 -3.1498113 9 Se -2.5397226 0.0000000 -1.3970889 0.0000000 -3.8447658 0.0000000 -0.7173719 0.0000000 -2.8205517 10 Se -2.5397226 0.0000000 -1.3970889 0.0000000 -3.8447658 0.0000000 -0.7173719 0.0000000 -2.8205517 11 Se -2.5397226 0.0000000 1.3970889 0.0000000 -3.8447658 0.0000000 0.7173719 0.0000000 -2.8205517 12 Se -2.5397226 0.0000000 1.3970889 0.0000000 -3.8447658 0.0000000 0.7173719 0.0000000 -2.8205517 13 Se -3.7338766 0.0000000 -0.4723606 0.0000000 -2.7610224 0.0000000 -0.2234985 0.0000000 -2.8147227 14 Se -3.7338766 0.0000000 -0.4723606 0.0000000 -2.7610224 0.0000000 -0.2234985 0.0000000 -2.8147227 15 Se -3.7338766 0.0000000 0.4723606 0.0000000 -2.7610224 0.0000000 0.2234985 0.0000000 -2.8147227 16 Se -3.7338766 0.0000000 0.4723606 0.0000000 -2.7610224 0.0000000 0.2234985 0.0000000 -2.8147227 17 Ho 4.9848904 0.0000000 -1.0283180 0.0000000 4.5244726 0.0000000 0.3996515 0.0000000 3.3466456 18 Ho 4.9848904 0.0000000 -1.0283180 0.0000000 4.5244726 0.0000000 0.3996515 0.0000000 3.3466456 19 Ho 4.9848904 0.0000000 1.0283180 0.0000000 4.5244726 0.0000000 -0.3996515 0.0000000 3.3466456 20 Ho 4.9848904 0.0000000 1.0283180 0.0000000 4.5244726 0.0000000 -0.3996515 0.0000000 3.3466456 21 Pb 3.9525649 0.0000000 -0.0318135 0.0000000 5.0358437 0.0000000 -0.4205644 0.0000000 4.6484388 22 Pb 3.9525649 0.0000000 -0.0318135 0.0000000 5.0358437 0.0000000 -0.4205644 0.0000000 4.6484388 23 Pb 3.9525649 0.0000000 0.0318135 0.0000000 5.0358437 0.0000000 0.4205644 0.0000000 4.6484388 24 Pb 3.9525649 0.0000000 0.0318135 0.0000000 5.0358437 0.0000000 0.4205644 0.0000000 4.6484388 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 ... [ 5 13 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 283, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.645 ( 0.000 0.000 0.000) 0.000 0.760 ( 0.000 0.000 0.000) 0.000 0.864 ( 0.000 0.000 0.000) 0.000 0.947 ( 0.000 0.000 0.000) 0.000 0.998 ( 0.000 0.000 0.000) 0.000 1.009 ( 0.000 0.000 0.000) 0.000 1.053 ( 0.000 0.000 0.000) 0.000 1.175 ( 0.000 0.000 0.000) 0.000 1.227 ( 0.000 0.000 0.000) 0.000 1.388 ( 0.000 0.000 0.000) 0.000 1.486 ( 0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.600 ( 0.000 0.000 0.000) 0.000 1.665 ( 0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.027 ( 0.000 0.000 0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( 13.654 0.000 0.000) 13.654 0.357 ( 17.195 0.000 0.000) 17.195 0.572 ( 19.388 0.000 0.000) 19.388 0.779 ( 1.916 0.000 0.000) 1.916 0.825 ( 13.133 0.000 0.000) 13.133 0.850 ( -1.580 0.000 0.000) 1.580 0.928 ( -1.817 0.000 0.000) 1.817 1.016 ( 0.310 0.000 0.000) 0.310 1.058 ( -2.147 0.000 0.000) 2.147 1.176 ( 9.983 0.000 0.000) 9.983 1.194 ( -2.778 0.000 0.000) 2.778 1.194 ( 2.157 0.000 0.000) 2.157 1.417 ( 2.936 0.000 0.000) 2.936 1.492 ( -4.151 0.000 0.000) 4.151 1.565 ( 6.960 0.000 0.000) 6.960 1.633 ( -3.446 0.000 0.000) 3.446 1.647 ( -2.410 0.000 0.000) 2.410 1.721 ( 12.088 0.000 0.000) 12.088 1.888 ( -1.712 0.000 0.000) 1.712 2.013 ( 0.424 0.000 0.000) 0.424 2.024 ( -0.231 0.000 0.000) 0.231 2.029 ( 3.847 0.000 0.000) 3.847 2.036 ( -0.348 0.000 0.000) 0.348 2.050 ( -0.461 0.000 0.000) 0.461 2.177 ( -3.431 0.000 0.000) 3.431 2.342 ( -2.263 0.000 0.000) 2.263 2.374 ( 1.682 0.000 0.000) 1.682 2.458 ( -1.674 0.000 0.000) 1.674 2.539 ( 3.127 0.000 0.000) 3.127 2.572 ( -1.945 0.000 0.000) 1.945 2.704 ( -1.799 0.000 0.000) 1.799 2.772 ( -2.427 0.000 0.000) 2.427 2.806 ( 3.273 0.000 0.000) 3.273 2.848 ( 2.609 0.000 0.000) 2.609 3.358 ( -13.649 0.000 0.000) 13.649 3.535 ( -13.554 0.000 0.000) 13.554 3.632 ( 0.309 0.000 0.000) 0.309 3.695 ( -1.613 0.000 0.000) 1.613 3.790 ( 0.988 0.000 0.000) 0.988 3.807 ( 0.071 0.000 0.000) 0.071 3.906 ( 0.477 0.000 0.000) 0.477 3.933 ( -0.214 0.000 0.000) 0.214 3.953 ( 0.625 0.000 0.000) 0.625 4.020 ( -0.793 0.000 0.000) 0.793 4.130 ( 4.705 0.000 0.000) 4.705 4.206 ( 1.771 0.000 0.000) 1.771 4.285 ( 2.251 0.000 0.000) 2.251 4.489 ( -3.342 0.000 0.000) 3.342 4.527 ( -1.422 0.000 0.000) 1.422 4.572 ( 0.391 0.000 0.000) 0.391 4.591 ( 0.250 0.000 0.000) 0.250 4.596 ( 1.014 0.000 0.000) 1.014 4.619 ( -0.740 0.000 0.000) 0.740 4.689 ( 0.263 0.000 0.000) 0.263 4.708 ( -0.204 0.000 0.000) 0.204 4.756 ( -7.894 0.000 0.000) 7.894 4.885 ( -1.770 0.000 0.000) 1.770 4.889 ( -1.398 0.000 0.000) 1.398 4.938 ( 1.198 0.000 0.000) 1.198 5.010 ( -1.603 0.000 0.000) 1.603 5.124 ( 3.408 0.000 0.000) 3.408 5.262 ( -2.271 0.000 0.000) 2.271 5.280 ( 6.912 0.000 0.000) 6.912 5.362 ( 1.409 0.000 0.000) 1.409 5.403 ( 1.922 0.000 0.000) 1.922 5.500 ( 2.269 0.000 0.000) 2.269 5.551 ( 4.955 0.000 0.000) 4.955 5.605 ( 1.572 0.000 0.000) 1.572 5.656 ( 0.469 0.000 0.000) 0.469 5.751 ( 0.781 0.000 0.000) 0.781 5.850 ( -1.469 0.000 0.000) 1.469 6.018 ( -3.945 0.000 0.000) 3.945 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 11.749 0.000 0.000) 11.749 0.636 ( 11.351 0.000 0.000) 11.351 0.698 ( -4.685 0.000 0.000) 4.685 0.791 ( -5.080 0.000 0.000) 5.080 0.827 ( 2.876 0.000 0.000) 2.876 0.882 ( 2.317 0.000 0.000) 2.317 0.882 ( -2.768 0.000 0.000) 2.768 0.977 ( -4.942 0.000 0.000) 4.942 1.181 ( 2.382 0.000 0.000) 2.382 1.230 ( 1.394 0.000 0.000) 1.394 1.265 ( 5.217 0.000 0.000) 5.217 1.317 ( 12.680 0.000 0.000) 12.680 1.384 ( -6.573 0.000 0.000) 6.573 1.492 ( 4.553 0.000 0.000) 4.553 1.528 ( -7.797 0.000 0.000) 7.797 1.580 ( -4.308 0.000 0.000) 4.308 1.763 ( 9.721 0.000 0.000) 9.721 1.860 ( -1.889 0.000 0.000) 1.889 2.022 ( 0.117 0.000 0.000) 0.117 2.024 ( 0.696 0.000 0.000) 0.696 2.025 ( 15.892 0.000 0.000) 15.892 2.028 ( -0.420 0.000 0.000) 0.420 2.038 ( -0.726 0.000 0.000) 0.726 2.105 ( 3.390 0.000 0.000) 3.390 2.158 ( 2.053 0.000 0.000) 2.053 2.268 ( -5.779 0.000 0.000) 5.779 2.347 ( 0.242 0.000 0.000) 0.242 2.481 ( -8.588 0.000 0.000) 8.588 2.521 ( 5.878 0.000 0.000) 5.878 2.619 ( 4.849 0.000 0.000) 4.849 2.636 ( -5.357 0.000 0.000) 5.357 2.708 ( -4.099 0.000 0.000) 4.099 2.886 ( 5.675 0.000 0.000) 5.675 2.952 ( 9.143 0.000 0.000) 9.143 3.065 ( -13.794 0.000 0.000) 13.794 3.218 ( -17.311 0.000 0.000) 17.311 3.643 ( 0.822 0.000 0.000) 0.822 3.664 ( -1.412 0.000 0.000) 1.412 3.804 ( 0.413 0.000 0.000) 0.413 3.808 ( -0.020 0.000 0.000) 0.020 3.917 ( 0.590 0.000 0.000) 0.590 3.927 ( -0.415 0.000 0.000) 0.415 3.972 ( 1.271 0.000 0.000) 1.271 3.998 ( -1.339 0.000 0.000) 1.339 4.219 ( 3.515 0.000 0.000) 3.515 4.240 ( 1.121 0.000 0.000) 1.121 4.342 ( 3.590 0.000 0.000) 3.590 4.417 ( -3.995 0.000 0.000) 3.995 4.512 ( 0.419 0.000 0.000) 0.419 4.557 ( -3.598 0.000 0.000) 3.598 4.584 ( 0.804 0.000 0.000) 0.804 4.602 ( -1.018 0.000 0.000) 1.018 4.618 ( 1.277 0.000 0.000) 1.277 4.650 ( -2.671 0.000 0.000) 2.671 4.696 ( 0.392 0.000 0.000) 0.392 4.703 ( -0.356 0.000 0.000) 0.356 4.860 ( -0.607 0.000 0.000) 0.607 4.864 ( -0.948 0.000 0.000) 0.948 4.959 ( 1.012 0.000 0.000) 1.012 4.980 ( -1.282 0.000 0.000) 1.282 5.175 ( 2.209 0.000 0.000) 2.209 5.217 ( -2.273 0.000 0.000) 2.273 5.364 ( 1.674 0.000 0.000) 1.674 5.377 ( 0.056 0.000 0.000) 0.056 5.477 ( 4.483 0.000 0.000) 4.483 5.525 ( -0.346 0.000 0.000) 0.346 5.641 ( 2.190 0.000 0.000) 2.190 5.641 ( 2.294 0.000 0.000) 2.294 5.681 ( 2.923 0.000 0.000) 2.923 5.748 ( -2.282 0.000 0.000) 2.282 5.841 ( 1.999 0.000 0.000) 1.999 5.922 ( -5.401 0.000 0.000) 5.401 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 0.000 17.045 0.000) 17.045 0.374 ( 0.000 19.713 0.000) 19.713 0.627 ( 0.000 24.805 0.000) 24.805 0.735 ( 0.000 14.672 0.000) 14.672 0.900 ( 0.000 -0.855 0.000) 0.855 0.938 ( 0.000 15.551 0.000) 15.551 0.995 ( 0.000 11.506 0.000) 11.506 1.023 ( 0.000 3.010 0.000) 3.010 1.073 ( 0.000 2.139 0.000) 2.139 1.120 ( 0.000 6.359 0.000) 6.359 1.148 ( 0.000 -5.789 0.000) 5.789 1.358 ( 0.000 -2.061 0.000) 2.061 1.384 ( 0.000 -6.845 0.000) 6.845 1.393 ( 0.000 -8.394 0.000) 8.394 1.646 ( 0.000 3.310 0.000) 3.310 1.709 ( 0.000 -1.310 0.000) 1.310 1.731 ( 0.000 0.882 0.000) 0.882 1.749 ( 0.000 5.347 0.000) 5.347 1.908 ( 0.000 2.830 0.000) 2.830 1.936 ( 0.000 4.950 0.000) 4.950 2.087 ( 0.000 5.448 0.000) 5.448 2.116 ( 0.000 4.655 0.000) 4.655 2.143 ( 0.000 9.635 0.000) 9.635 2.216 ( 0.000 9.799 0.000) 9.799 2.266 ( 0.000 0.967 0.000) 0.967 2.267 ( 0.000 4.431 0.000) 4.431 2.369 ( 0.000 0.623 0.000) 0.623 2.467 ( 0.000 1.273 0.000) 1.273 2.506 ( 0.000 -0.078 0.000) 0.078 2.532 ( 0.000 -0.762 0.000) 0.762 2.562 ( 0.000 -2.451 0.000) 2.451 2.666 ( 0.000 -4.615 0.000) 4.615 2.748 ( 0.000 -2.100 0.000) 2.100 2.790 ( 0.000 -0.661 0.000) 0.661 3.482 ( 0.000 -1.282 0.000) 1.282 3.639 ( 0.000 -3.440 0.000) 3.440 3.776 ( 0.000 5.540 0.000) 5.540 3.865 ( 0.000 7.699 0.000) 7.699 3.878 ( 0.000 2.405 0.000) 2.405 3.892 ( 0.000 0.514 0.000) 0.514 3.948 ( 0.000 2.994 0.000) 2.994 3.967 ( 0.000 6.364 0.000) 6.364 3.989 ( 0.000 3.810 0.000) 3.810 4.093 ( 0.000 1.520 0.000) 1.520 4.099 ( 0.000 4.800 0.000) 4.800 4.190 ( 0.000 0.601 0.000) 0.601 4.260 ( 0.000 -0.099 0.000) 0.099 4.520 ( 0.000 -1.150 0.000) 1.150 4.526 ( 0.000 -1.669 0.000) 1.669 4.558 ( 0.000 -2.464 0.000) 2.464 4.593 ( 0.000 -3.356 0.000) 3.356 4.619 ( 0.000 4.360 0.000) 4.360 4.696 ( 0.000 2.578 0.000) 2.578 4.709 ( 0.000 2.035 0.000) 2.035 4.832 ( 0.000 -0.821 0.000) 0.821 4.903 ( 0.000 -1.283 0.000) 1.283 4.911 ( 0.000 -0.066 0.000) 0.066 4.919 ( 0.000 -1.133 0.000) 1.133 4.965 ( 0.000 0.513 0.000) 0.513 5.019 ( 0.000 1.443 0.000) 1.443 5.047 ( 0.000 -2.489 0.000) 2.489 5.254 ( 0.000 -1.266 0.000) 1.266 5.260 ( 0.000 -2.603 0.000) 2.603 5.325 ( 0.000 -4.094 0.000) 4.094 5.341 ( 0.000 -0.477 0.000) 0.477 5.435 ( 0.000 1.089 0.000) 1.089 5.450 ( 0.000 -1.231 0.000) 1.231 5.489 ( 0.000 -1.247 0.000) 1.247 5.608 ( 0.000 -1.257 0.000) 1.257 5.641 ( 0.000 -1.083 0.000) 1.083 5.741 ( 0.000 -0.105 0.000) 0.105 6.000 ( 0.000 -5.650 0.000) 5.650 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 5.789 14.698 0.000) 15.797 0.452 ( 6.810 10.640 0.000) 12.632 0.766 ( 8.212 9.596 0.000) 12.630 0.893 ( 3.426 12.836 0.000) 13.286 0.907 ( 0.071 0.862 0.000) 0.865 0.968 ( 5.067 13.223 0.000) 14.161 0.988 ( -0.625 10.157 0.000) 10.176 1.037 ( 10.249 5.871 0.000) 11.811 1.103 ( -1.193 4.095 0.000) 4.265 1.118 ( -2.775 -3.107 0.000) 4.166 1.209 ( 8.585 4.033 0.000) 9.485 1.377 ( -1.400 -6.232 0.000) 6.387 1.385 ( 5.494 -2.585 0.000) 6.072 1.489 ( 5.686 -2.285 0.000) 6.128 1.531 ( -7.858 12.803 0.000) 15.022 1.689 ( -2.149 2.045 0.000) 2.966 1.716 ( -1.638 -0.882 0.000) 1.861 1.729 ( 9.157 2.362 0.000) 9.457 1.877 ( -2.916 5.559 0.000) 6.277 1.961 ( 2.201 1.922 0.000) 2.922 2.063 ( -1.538 3.421 0.000) 3.751 2.119 ( 0.699 6.246 0.000) 6.285 2.131 ( -0.793 8.707 0.000) 8.744 2.224 ( -1.682 6.220 0.000) 6.444 2.228 ( 1.011 10.010 0.000) 10.061 2.346 ( 2.492 -1.878 0.000) 3.121 2.348 ( -2.213 0.690 0.000) 2.318 2.470 ( -1.520 1.281 0.000) 1.988 2.540 ( 3.357 0.232 0.000) 3.365 2.548 ( -1.876 -2.363 0.000) 3.017 2.654 ( -1.444 -4.344 0.000) 4.577 2.659 ( 9.513 -7.667 0.000) 12.218 2.768 ( -2.224 -0.469 0.000) 2.273 2.788 ( 3.854 -2.423 0.000) 4.552 3.339 ( -13.845 -1.377 0.000) 13.913 3.494 ( -13.727 -3.690 0.000) 14.214 3.769 ( -0.688 6.134 0.000) 6.173 3.821 ( -3.885 5.659 0.000) 6.864 3.864 ( -0.002 6.949 0.000) 6.949 3.885 ( -0.689 6.039 0.000) 6.078 3.960 ( 0.676 1.405 0.000) 1.559 3.967 ( -0.076 5.650 0.000) 5.651 3.989 ( 0.119 3.459 0.000) 3.461 4.041 ( -3.053 4.634 0.000) 5.549 4.150 ( 4.612 2.428 0.000) 5.213 4.214 ( 2.145 1.105 0.000) 2.413 4.284 ( 2.372 0.079 0.000) 2.373 4.486 ( -3.244 -0.634 0.000) 3.305 4.504 ( -1.601 -1.961 0.000) 2.532 4.562 ( -2.905 -3.395 0.000) 4.468 4.571 ( 0.903 -2.015 0.000) 2.208 4.625 ( 0.668 4.325 0.000) 4.377 4.652 ( -2.966 2.843 0.000) 4.108 4.715 ( 0.559 2.257 0.000) 2.325 4.771 ( -3.368 3.614 0.000) 4.940 4.800 ( -5.792 4.247 0.000) 7.183 4.885 ( -1.221 -0.326 0.000) 1.263 4.890 ( -2.283 0.520 0.000) 2.341 4.924 ( 0.841 -1.271 0.000) 1.525 4.982 ( -1.797 -2.752 0.000) 3.286 5.127 ( 3.080 0.250 0.000) 3.091 5.239 ( -1.925 -2.254 0.000) 2.964 5.269 ( 6.333 -1.234 0.000) 6.453 5.354 ( 1.227 -0.642 0.000) 1.385 5.395 ( 1.691 -0.901 0.000) 1.916 5.489 ( 2.287 -1.156 0.000) 2.563 5.533 ( 4.614 -1.724 0.000) 4.925 5.567 ( 3.793 -4.479 0.000) 5.869 5.642 ( 0.200 -1.242 0.000) 1.258 5.680 ( 4.664 -8.141 0.000) 9.383 5.751 ( 1.491 -0.923 0.000) 1.754 5.964 ( -3.510 -5.200 0.000) 6.273 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 3.913 5.717 0.000) 6.928 0.552 ( 3.140 1.827 0.000) 3.632 0.862 ( 1.912 2.169 0.000) 2.891 0.885 ( -1.739 3.059 0.000) 3.518 0.923 ( 0.937 11.927 0.000) 11.964 0.958 ( -2.445 8.074 0.000) 8.436 0.971 ( 2.216 8.877 0.000) 9.150 1.047 ( -4.199 7.335 0.000) 8.452 1.130 ( 3.934 -2.623 0.000) 4.728 1.213 ( -3.099 -0.260 0.000) 3.110 1.318 ( 4.136 6.729 0.000) 7.898 1.349 ( -1.355 0.132 0.000) 1.361 1.473 ( 7.641 11.322 0.000) 13.659 1.549 ( 6.738 4.862 0.000) 8.310 1.622 ( -5.241 5.343 0.000) 7.485 1.656 ( -4.750 2.219 0.000) 5.243 1.686 ( 9.617 -4.155 0.000) 10.476 1.808 ( -4.180 2.080 0.000) 4.669 1.992 ( 11.949 1.673 0.000) 12.065 2.006 ( 2.065 1.602 0.000) 2.614 2.049 ( 1.637 2.743 0.000) 3.194 2.122 ( -0.397 7.461 0.000) 7.472 2.178 ( 5.676 4.159 0.000) 7.037 2.206 ( 1.436 8.433 0.000) 8.555 2.241 ( -0.856 7.118 0.000) 7.169 2.285 ( -3.662 3.640 0.000) 5.163 2.346 ( -0.516 0.540 0.000) 0.747 2.457 ( -8.454 -2.207 0.000) 8.737 2.506 ( 4.811 -1.125 0.000) 4.941 2.601 ( -4.188 -3.011 0.000) 5.158 2.623 ( 4.853 0.375 0.000) 4.867 2.709 ( -3.808 0.018 0.000) 3.808 2.813 ( 7.925 -5.396 0.000) 9.588 2.908 ( 9.530 -3.635 0.000) 10.200 3.030 ( -15.400 -2.521 0.000) 15.605 3.176 ( -17.349 -3.973 0.000) 17.798 3.757 ( -0.258 7.181 0.000) 7.185 3.767 ( -1.529 8.087 0.000) 8.231 3.867 ( 0.220 5.989 0.000) 5.993 3.873 ( -0.502 5.932 0.000) 5.954 3.965 ( -0.034 4.573 0.000) 4.574 3.966 ( -0.007 3.515 0.000) 3.515 3.996 ( 0.484 2.497 0.000) 2.544 4.007 ( -0.822 1.797 0.000) 1.976 4.235 ( 3.243 1.831 0.000) 3.724 4.253 ( 1.202 1.466 0.000) 1.896 4.343 ( 3.555 0.196 0.000) 3.561 4.415 ( -3.829 -0.102 0.000) 3.830 4.481 ( -0.401 -2.389 0.000) 2.422 4.504 ( -2.657 -3.306 0.000) 4.241 4.589 ( 1.066 -1.463 0.000) 1.810 4.613 ( -1.425 -0.119 0.000) 1.430 4.648 ( 1.781 4.494 0.000) 4.834 4.697 ( -3.484 4.642 0.000) 5.804 4.729 ( 0.935 2.847 0.000) 2.997 4.750 ( -1.211 3.695 0.000) 3.889 4.860 ( -0.714 0.000 0.000) 0.714 4.863 ( -0.881 -0.068 0.000) 0.883 4.939 ( 0.724 -1.993 0.000) 2.120 4.955 ( -1.035 -2.544 0.000) 2.747 5.167 ( 1.666 -0.645 0.000) 1.787 5.200 ( -1.866 -1.548 0.000) 2.425 5.357 ( 1.715 -0.759 0.000) 1.875 5.369 ( 0.100 -0.790 0.000) 0.796 5.461 ( 4.549 -1.545 0.000) 4.804 5.512 ( -0.427 -1.258 0.000) 1.329 5.620 ( 2.243 -2.294 0.000) 3.209 5.625 ( 3.775 -1.971 0.000) 4.259 5.649 ( 0.584 -2.646 0.000) 2.710 5.694 ( -1.868 -4.992 0.000) 5.330 5.801 ( 3.235 -3.009 0.000) 4.418 5.880 ( -4.763 -4.056 0.000) 6.256 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 0.000 14.480 0.000) 14.480 0.750 ( 0.000 18.896 0.000) 18.896 0.834 ( 0.000 7.966 0.000) 7.966 0.932 ( 0.000 3.877 0.000) 3.877 1.045 ( 0.000 -3.254 0.000) 3.254 1.096 ( 0.000 5.760 0.000) 5.760 1.132 ( 0.000 4.596 0.000) 4.596 1.172 ( 0.000 -0.876 0.000) 0.876 1.249 ( 0.000 12.200 0.000) 12.200 1.265 ( 0.000 11.559 0.000) 11.559 1.281 ( 0.000 -2.494 0.000) 2.494 1.290 ( 0.000 -2.369 0.000) 2.369 1.291 ( 0.000 28.279 0.000) 28.279 1.342 ( 0.000 3.974 0.000) 3.974 1.623 ( 0.000 -4.658 0.000) 4.658 1.703 ( 0.000 3.008 0.000) 3.008 1.743 ( 0.000 2.427 0.000) 2.427 1.838 ( 0.000 3.998 0.000) 3.998 2.070 ( 0.000 10.687 0.000) 10.687 2.093 ( 0.000 9.765 0.000) 9.765 2.178 ( 0.000 2.845 0.000) 2.845 2.260 ( 0.000 12.137 0.000) 12.137 2.275 ( 0.000 -0.552 0.000) 0.552 2.345 ( 0.000 10.535 0.000) 10.535 2.363 ( 0.000 3.153 0.000) 3.153 2.400 ( 0.000 3.746 0.000) 3.746 2.401 ( 0.000 5.328 0.000) 5.328 2.475 ( 0.000 -0.917 0.000) 0.917 2.504 ( 0.000 -3.155 0.000) 3.155 2.525 ( 0.000 4.053 0.000) 4.053 2.547 ( 0.000 2.965 0.000) 2.965 2.591 ( 0.000 -1.522 0.000) 1.522 2.684 ( 0.000 -4.157 0.000) 4.157 2.768 ( 0.000 -1.797 0.000) 1.797 3.462 ( 0.000 -0.872 0.000) 0.872 3.556 ( 0.000 -4.805 0.000) 4.805 3.848 ( 0.000 -1.619 0.000) 1.619 3.894 ( 0.000 5.886 0.000) 5.886 3.911 ( 0.000 1.640 0.000) 1.640 4.018 ( 0.000 6.880 0.000) 6.880 4.075 ( 0.000 4.654 0.000) 4.654 4.100 ( 0.000 7.085 0.000) 7.085 4.104 ( 0.000 6.628 0.000) 6.628 4.132 ( 0.000 2.316 0.000) 2.316 4.214 ( 0.000 7.879 0.000) 7.879 4.236 ( 0.000 5.161 0.000) 5.161 4.266 ( 0.000 1.036 0.000) 1.036 4.472 ( 0.000 -4.260 0.000) 4.260 4.479 ( 0.000 -6.147 0.000) 6.147 4.487 ( 0.000 -2.234 0.000) 2.234 4.500 ( 0.000 -6.284 0.000) 6.284 4.717 ( 0.000 5.181 0.000) 5.181 4.747 ( 0.000 1.264 0.000) 1.264 4.763 ( 0.000 4.173 0.000) 4.173 4.832 ( 0.000 1.159 0.000) 1.159 4.879 ( 0.000 -3.172 0.000) 3.172 4.882 ( 0.000 -0.070 0.000) 0.070 4.921 ( 0.000 1.497 0.000) 1.497 4.983 ( 0.000 1.472 0.000) 1.472 4.995 ( 0.000 -2.406 0.000) 2.406 5.034 ( 0.000 -0.192 0.000) 0.192 5.208 ( 0.000 -2.280 0.000) 2.280 5.229 ( 0.000 -0.943 0.000) 0.943 5.239 ( 0.000 -4.750 0.000) 4.750 5.327 ( 0.000 -1.046 0.000) 1.046 5.422 ( 0.000 -1.538 0.000) 1.538 5.435 ( 0.000 -1.043 0.000) 1.043 5.455 ( 0.000 -2.246 0.000) 2.246 5.583 ( 0.000 -1.054 0.000) 1.054 5.616 ( 0.000 -1.352 0.000) 1.352 5.741 ( 0.000 0.205 0.000) 0.205 5.865 ( 0.000 -7.517 0.000) 7.517 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 1.409 12.531 0.000) 12.610 0.756 ( 0.101 16.824 0.000) 16.824 0.893 ( 3.243 5.746 0.000) 6.598 0.943 ( 0.211 2.894 0.000) 2.902 1.030 ( -0.272 -1.863 0.000) 1.883 1.099 ( 0.217 6.532 0.000) 6.535 1.134 ( 0.375 8.406 0.000) 8.415 1.141 ( -1.608 3.345 0.000) 3.711 1.233 ( -1.379 4.639 0.000) 4.840 1.293 ( -1.283 -0.732 0.000) 1.477 1.344 ( 4.196 4.391 0.000) 6.073 1.379 ( 7.271 14.682 0.000) 16.383 1.414 ( 10.869 -1.109 0.000) 10.926 1.441 ( 15.340 18.455 0.000) 23.998 1.617 ( -0.544 -4.535 0.000) 4.567 1.739 ( -0.621 2.926 0.000) 2.991 1.740 ( -3.871 6.863 0.000) 7.879 1.786 ( 5.979 3.703 0.000) 7.032 2.065 ( -1.388 11.308 0.000) 11.393 2.088 ( 0.173 9.177 0.000) 9.179 2.149 ( -1.233 4.081 0.000) 4.264 2.241 ( -2.001 8.091 0.000) 8.334 2.310 ( -2.062 8.458 0.000) 8.706 2.326 ( 4.014 1.066 0.000) 4.153 2.353 ( -1.951 1.824 0.000) 2.671 2.380 ( -1.413 5.775 0.000) 5.945 2.412 ( 0.731 6.092 0.000) 6.136 2.499 ( -0.885 -1.657 0.000) 1.879 2.514 ( -0.085 3.133 0.000) 3.134 2.556 ( 2.901 1.398 0.000) 3.220 2.583 ( -0.857 -1.496 0.000) 1.724 2.583 ( 6.421 0.250 0.000) 6.426 2.717 ( 3.085 -4.801 0.000) 5.707 2.750 ( -1.748 -1.493 0.000) 2.299 3.317 ( -14.090 -0.911 0.000) 14.120 3.410 ( -14.025 -4.710 0.000) 14.795 3.864 ( 1.252 0.353 0.000) 1.301 3.885 ( -0.698 5.280 0.000) 5.326 3.920 ( 0.954 0.876 0.000) 1.295 4.006 ( -1.118 6.103 0.000) 6.205 4.064 ( -1.982 6.224 0.000) 6.532 4.067 ( -0.626 5.010 0.000) 5.049 4.098 ( -0.587 6.528 0.000) 6.554 4.128 ( -1.616 3.324 0.000) 3.696 4.244 ( 2.977 7.085 0.000) 7.685 4.264 ( 2.382 4.393 0.000) 4.998 4.296 ( 2.654 1.435 0.000) 3.017 4.444 ( -1.432 -4.607 0.000) 4.824 4.461 ( -2.222 -2.373 0.000) 3.251 4.481 ( -1.878 -4.300 0.000) 4.692 4.509 ( 1.824 -4.549 0.000) 4.902 4.716 ( -4.533 3.553 0.000) 5.760 4.722 ( 0.538 4.953 0.000) 4.982 4.756 ( 0.909 1.282 0.000) 1.572 4.831 ( -0.299 3.064 0.000) 3.078 4.855 ( -2.660 0.324 0.000) 2.679 4.875 ( -0.628 -0.212 0.000) 0.663 4.895 ( -4.312 -0.848 0.000) 4.394 4.916 ( -0.365 1.332 0.000) 1.381 4.931 ( -2.699 -0.451 0.000) 2.736 5.129 ( 3.559 -0.242 0.000) 3.568 5.192 ( -1.282 -2.070 0.000) 2.435 5.233 ( 4.677 -2.149 0.000) 5.147 5.339 ( 0.922 -1.035 0.000) 1.386 5.356 ( 4.410 -3.486 0.000) 5.621 5.458 ( 2.190 -1.881 0.000) 2.887 5.465 ( 3.752 -4.222 0.000) 5.649 5.491 ( 3.785 -2.522 0.000) 4.548 5.597 ( 1.176 -2.069 0.000) 2.380 5.615 ( -0.122 -1.439 0.000) 1.445 5.740 ( 0.055 -0.249 0.000) 0.255 5.842 ( -2.276 -6.717 0.000) 7.093 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 0.697 10.977 0.000) 11.000 0.733 ( -2.379 11.967 0.000) 12.201 0.921 ( 0.347 3.978 0.000) 3.993 0.929 ( -0.788 2.682 0.000) 2.796 1.054 ( 1.776 2.659 0.000) 3.198 1.085 ( -1.400 5.976 0.000) 6.138 1.152 ( 2.869 4.257 0.000) 5.133 1.157 ( 1.721 7.920 0.000) 8.105 1.200 ( -1.827 6.328 0.000) 6.586 1.236 ( -4.101 2.826 0.000) 4.980 1.427 ( 4.124 6.719 0.000) 7.884 1.470 ( 1.329 5.812 0.000) 5.962 1.592 ( 0.550 2.088 0.000) 2.159 1.602 ( -1.029 -3.218 0.000) 3.379 1.620 ( 5.107 6.172 0.000) 8.011 1.707 ( -2.967 4.290 0.000) 5.216 1.822 ( 13.629 14.830 0.000) 20.142 1.999 ( -5.547 12.925 0.000) 14.065 2.041 ( 14.909 2.859 0.000) 15.181 2.107 ( 1.394 7.571 0.000) 7.698 2.155 ( 1.315 7.298 0.000) 7.416 2.234 ( 3.843 3.102 0.000) 4.939 2.276 ( -4.676 5.840 0.000) 7.481 2.296 ( -1.348 4.630 0.000) 4.822 2.335 ( -1.435 4.049 0.000) 4.296 2.394 ( -4.610 -0.973 0.000) 4.712 2.421 ( 3.702 5.444 0.000) 6.583 2.462 ( -2.004 7.137 0.000) 7.413 2.510 ( 0.901 3.305 0.000) 3.426 2.553 ( -2.382 -0.770 0.000) 2.503 2.633 ( 4.364 0.676 0.000) 4.416 2.704 ( -2.991 -0.608 0.000) 3.052 2.735 ( 9.511 -2.445 0.000) 9.820 2.815 ( 8.588 -5.812 0.000) 10.370 2.991 ( -17.227 -1.509 0.000) 17.293 3.083 ( -17.859 -5.228 0.000) 18.609 3.875 ( -0.161 4.944 0.000) 4.946 3.877 ( -0.031 4.104 0.000) 4.104 3.948 ( 1.791 0.708 0.000) 1.926 3.980 ( -1.504 3.867 0.000) 4.149 4.043 ( -0.157 5.172 0.000) 5.174 4.052 ( -0.820 4.595 0.000) 4.667 4.089 ( -0.199 6.248 0.000) 6.251 4.096 ( -1.072 5.136 0.000) 5.247 4.300 ( 2.140 4.863 0.000) 5.313 4.306 ( 1.455 4.113 0.000) 4.362 4.354 ( 3.244 1.060 0.000) 3.413 4.413 ( -2.723 -0.219 0.000) 2.732 4.423 ( -0.513 -3.674 0.000) 3.709 4.438 ( -2.060 -3.492 0.000) 4.054 4.552 ( 2.803 -2.323 0.000) 3.640 4.622 ( -4.498 1.083 0.000) 4.627 4.742 ( 1.699 4.454 0.000) 4.768 4.781 ( 1.696 1.465 0.000) 2.241 4.788 ( -2.964 3.991 0.000) 4.971 4.819 ( -2.045 2.822 0.000) 3.485 4.852 ( -0.238 -1.292 0.000) 1.314 4.861 ( -0.759 -0.164 0.000) 0.777 4.907 ( -0.227 -0.484 0.000) 0.534 4.909 ( -0.319 0.647 0.000) 0.722 5.157 ( 0.583 -0.283 0.000) 0.648 5.170 ( -0.898 -1.307 0.000) 1.585 5.330 ( 2.663 -2.120 0.000) 3.403 5.348 ( -0.024 -1.406 0.000) 1.406 5.422 ( 4.160 -2.373 0.000) 4.789 5.478 ( -0.778 -2.183 0.000) 2.318 5.544 ( 3.305 -5.224 0.000) 6.182 5.559 ( 2.333 -4.059 0.000) 4.682 5.609 ( -0.504 -1.656 0.000) 1.731 5.611 ( -0.092 -2.746 0.000) 2.747 5.751 ( 1.232 -1.928 0.000) 2.288 5.790 ( -2.674 -4.552 0.000) 5.279 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.000 9.328 0.000) 9.328 0.963 ( 0.000 4.795 0.000) 4.795 0.990 ( 0.000 -0.303 0.000) 0.303 1.024 ( 0.000 4.568 0.000) 4.568 1.098 ( 0.000 13.816 0.000) 13.816 1.171 ( 0.000 2.474 0.000) 2.474 1.227 ( 0.000 4.676 0.000) 4.676 1.234 ( 0.000 8.269 0.000) 8.269 1.256 ( 0.000 -1.463 0.000) 1.463 1.270 ( 0.000 2.756 0.000) 2.756 1.279 ( 0.000 -1.679 0.000) 1.679 1.444 ( 0.000 7.730 0.000) 7.730 1.569 ( 0.000 10.604 0.000) 10.604 1.570 ( 0.000 -0.407 0.000) 0.407 1.731 ( 0.000 13.337 0.000) 13.337 1.780 ( 0.000 5.094 0.000) 5.094 1.825 ( 0.000 5.247 0.000) 5.247 1.910 ( 0.000 3.736 0.000) 3.736 2.230 ( 0.000 -4.200 0.000) 4.200 2.262 ( 0.000 5.787 0.000) 5.787 2.265 ( 0.000 7.913 0.000) 7.913 2.292 ( 0.000 7.774 0.000) 7.774 2.381 ( 0.000 -0.499 0.000) 0.499 2.390 ( 0.000 -1.687 0.000) 1.687 2.444 ( 0.000 -1.229 0.000) 1.229 2.446 ( 0.000 2.907 0.000) 2.907 2.455 ( 0.000 0.241 0.000) 0.241 2.531 ( 0.000 13.732 0.000) 13.732 2.542 ( 0.000 8.631 0.000) 8.631 2.565 ( 0.000 -2.692 0.000) 2.692 2.637 ( 0.000 6.883 0.000) 6.883 2.653 ( 0.000 6.409 0.000) 6.409 2.719 ( 0.000 -2.660 0.000) 2.660 2.731 ( 0.000 10.200 0.000) 10.200 3.444 ( 0.000 -1.063 0.000) 1.063 3.465 ( 0.000 -4.424 0.000) 4.424 3.848 ( 0.000 1.728 0.000) 1.728 3.959 ( 0.000 3.317 0.000) 3.317 3.986 ( 0.000 3.538 0.000) 3.538 4.096 ( 0.000 1.707 0.000) 1.707 4.151 ( 0.000 2.948 0.000) 2.948 4.173 ( 0.000 1.781 0.000) 1.781 4.188 ( 0.000 2.832 0.000) 2.832 4.232 ( 0.000 6.527 0.000) 6.527 4.307 ( 0.000 2.149 0.000) 2.149 4.319 ( 0.000 -9.695 0.000) 9.695 4.362 ( 0.000 -2.384 0.000) 2.384 4.363 ( 0.000 -5.623 0.000) 5.623 4.369 ( 0.000 6.965 0.000) 6.965 4.376 ( 0.000 2.752 0.000) 2.752 4.436 ( 0.000 -2.853 0.000) 2.853 4.754 ( 0.000 0.087 0.000) 0.087 4.799 ( 0.000 3.200 0.000) 3.200 4.802 ( 0.000 -3.992 0.000) 3.992 4.849 ( 0.000 4.010 0.000) 4.010 4.867 ( 0.000 1.939 0.000) 1.939 4.918 ( 0.000 3.311 0.000) 3.311 4.962 ( 0.000 -1.044 0.000) 1.044 4.975 ( 0.000 3.863 0.000) 3.863 4.997 ( 0.000 -1.321 0.000) 1.321 5.044 ( 0.000 2.633 0.000) 2.633 5.146 ( 0.000 -4.758 0.000) 4.758 5.179 ( 0.000 -0.816 0.000) 0.816 5.224 ( 0.000 0.491 0.000) 0.491 5.298 ( 0.000 -2.007 0.000) 2.007 5.395 ( 0.000 -1.184 0.000) 1.184 5.399 ( 0.000 -2.509 0.000) 2.509 5.406 ( 0.000 -2.640 0.000) 2.640 5.573 ( 0.000 0.058 0.000) 0.058 5.595 ( 0.000 -0.733 0.000) 0.733 5.740 ( 0.000 -5.004 0.000) 5.004 5.746 ( 0.000 0.154 0.000) 0.154 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.496 8.285 0.000) 8.300 0.977 ( -1.403 0.411 0.000) 1.462 0.987 ( 1.301 3.553 0.000) 3.784 1.011 ( -1.586 6.177 0.000) 6.377 1.101 ( 1.076 10.336 0.000) 10.392 1.195 ( 2.104 4.257 0.000) 4.748 1.213 ( -1.053 4.486 0.000) 4.608 1.252 ( -0.547 1.983 0.000) 2.057 1.259 ( 0.526 -0.313 0.000) 0.612 1.301 ( 3.918 5.211 0.000) 6.520 1.417 ( 10.422 3.298 0.000) 10.932 1.478 ( 3.223 6.657 0.000) 7.396 1.569 ( 0.071 -0.022 0.000) 0.074 1.625 ( 5.453 10.265 0.000) 11.624 1.762 ( 0.910 7.797 0.000) 7.850 1.823 ( -0.373 5.102 0.000) 5.115 1.838 ( 6.849 4.686 0.000) 8.298 1.894 ( 3.508 7.525 0.000) 8.303 2.207 ( -0.995 0.042 0.000) 0.996 2.248 ( -0.730 5.743 0.000) 5.789 2.269 ( -1.067 7.930 0.000) 8.001 2.314 ( 0.212 0.039 0.000) 0.216 2.353 ( -1.744 -1.781 0.000) 2.493 2.405 ( -1.946 3.216 0.000) 3.759 2.410 ( 3.202 4.594 0.000) 5.600 2.484 ( 1.387 4.500 0.000) 4.708 2.486 ( 0.066 2.333 0.000) 2.334 2.524 ( 2.352 4.071 0.000) 4.702 2.555 ( 1.425 8.309 0.000) 8.430 2.605 ( 2.682 0.207 0.000) 2.690 2.636 ( 0.210 4.565 0.000) 4.569 2.647 ( -0.582 6.141 0.000) 6.169 2.713 ( -0.610 -1.490 0.000) 1.610 2.731 ( 0.061 9.592 0.000) 9.593 3.299 ( -14.191 -1.291 0.000) 14.250 3.326 ( -13.654 -3.644 0.000) 14.131 3.875 ( 2.652 1.444 0.000) 3.020 3.965 ( 0.416 3.381 0.000) 3.406 3.966 ( -1.168 3.335 0.000) 3.533 4.081 ( -1.975 1.786 0.000) 2.663 4.131 ( -1.578 1.438 0.000) 2.135 4.133 ( -2.763 0.982 0.000) 2.933 4.185 ( -0.731 2.617 0.000) 2.717 4.223 ( -1.236 4.948 0.000) 5.100 4.315 ( 1.528 -2.099 0.000) 2.596 4.336 ( 1.285 -2.895 0.000) 3.167 4.361 ( -0.203 -1.005 0.000) 1.026 4.377 ( 1.369 3.771 0.000) 4.011 4.389 ( 0.970 1.265 0.000) 1.594 4.416 ( 4.201 -1.578 0.000) 4.487 4.438 ( -0.043 -0.645 0.000) 0.646 4.755 ( 0.190 -0.431 0.000) 0.472 4.759 ( -4.588 -0.813 0.000) 4.660 4.798 ( 0.005 2.878 0.000) 2.878 4.822 ( -1.592 -0.143 0.000) 1.598 4.884 ( -1.916 0.564 0.000) 1.998 4.893 ( -1.173 1.751 0.000) 2.107 4.907 ( -0.940 3.019 0.000) 3.162 4.969 ( -2.368 3.038 0.000) 3.852 4.976 ( 0.068 4.293 0.000) 4.293 5.110 ( 5.607 -1.644 0.000) 5.843 5.166 ( -0.948 -0.770 0.000) 1.221 5.209 ( 2.113 0.125 0.000) 2.116 5.276 ( 6.277 -4.071 0.000) 7.482 5.309 ( 0.518 -2.215 0.000) 2.275 5.404 ( 0.842 -2.760 0.000) 2.885 5.422 ( 1.941 -1.678 0.000) 2.566 5.442 ( 3.208 -2.345 0.000) 3.974 5.576 ( 0.240 -0.261 0.000) 0.355 5.592 ( -0.263 -0.778 0.000) 0.821 5.732 ( -0.626 -4.186 0.000) 4.232 5.739 ( -0.619 -0.008 0.000) 0.619 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.446 8.543 0.000) 8.554 0.931 ( -2.681 6.463 0.000) 6.997 0.993 ( -0.093 3.935 0.000) 3.936 0.996 ( -0.153 3.197 0.000) 3.200 1.135 ( 2.091 5.684 0.000) 6.057 1.177 ( -2.310 3.665 0.000) 4.333 1.229 ( 0.972 3.727 0.000) 3.852 1.241 ( -0.472 2.550 0.000) 2.594 1.289 ( 2.614 3.532 0.000) 4.394 1.331 ( -0.918 5.861 0.000) 5.932 1.543 ( 2.303 3.916 0.000) 4.543 1.543 ( 2.206 4.703 0.000) 5.195 1.587 ( 2.866 1.901 0.000) 3.439 1.675 ( -4.499 4.165 0.000) 6.131 1.742 ( 3.414 6.190 0.000) 7.069 1.801 ( -2.062 5.212 0.000) 5.605 2.071 ( 12.607 6.813 0.000) 14.330 2.113 ( 13.065 6.065 0.000) 14.404 2.211 ( -4.208 6.286 0.000) 7.565 2.227 ( 4.264 0.527 0.000) 4.297 2.233 ( -1.430 4.121 0.000) 4.362 2.303 ( -0.088 0.463 0.000) 0.472 2.322 ( -2.945 0.974 0.000) 3.102 2.359 ( -3.429 1.061 0.000) 3.590 2.468 ( -0.899 8.102 0.000) 8.152 2.475 ( -0.836 10.012 0.000) 10.046 2.509 ( 5.443 8.774 0.000) 10.325 2.570 ( -0.693 8.051 0.000) 8.081 2.606 ( 3.028 3.019 0.000) 4.275 2.632 ( -0.843 5.101 0.000) 5.170 2.655 ( 4.123 1.922 0.000) 4.549 2.700 ( 7.910 -5.389 0.000) 9.571 2.700 ( -0.714 2.044 0.000) 2.165 2.749 ( 3.635 5.235 0.000) 6.373 2.963 ( -18.366 -1.953 0.000) 18.469 2.995 ( -18.567 -3.050 0.000) 18.816 3.941 ( 3.822 1.704 0.000) 4.185 3.957 ( 0.159 3.664 0.000) 3.668 3.967 ( -0.095 3.042 0.000) 3.044 4.022 ( -3.839 1.085 0.000) 3.989 4.095 ( -0.756 -0.178 0.000) 0.776 4.102 ( -1.216 0.084 0.000) 1.219 4.178 ( 0.279 3.057 0.000) 3.069 4.195 ( -1.389 3.379 0.000) 3.653 4.343 ( 0.904 -2.479 0.000) 2.638 4.355 ( -0.411 -2.218 0.000) 2.256 4.365 ( 1.803 -0.131 0.000) 1.808 4.393 ( -0.793 0.526 0.000) 0.952 4.409 ( 1.657 4.269 0.000) 4.579 4.431 ( -0.640 3.275 0.000) 3.337 4.517 ( 6.101 -0.359 0.000) 6.111 4.643 ( -6.772 0.653 0.000) 6.804 4.764 ( 0.847 -1.493 0.000) 1.717 4.788 ( -1.660 -2.261 0.000) 2.805 4.805 ( 0.849 2.129 0.000) 2.292 4.834 ( -2.143 1.275 0.000) 2.494 4.887 ( -0.270 2.472 0.000) 2.487 4.891 ( -0.613 2.672 0.000) 2.741 4.961 ( 0.761 4.539 0.000) 4.603 4.974 ( -0.364 4.814 0.000) 4.828 5.154 ( -0.091 -0.313 0.000) 0.326 5.158 ( 0.012 0.309 0.000) 0.309 5.278 ( 3.513 -2.877 0.000) 4.541 5.310 ( -0.472 -2.623 0.000) 2.666 5.376 ( 4.056 -2.316 0.000) 4.670 5.436 ( -1.261 -1.955 0.000) 2.326 5.451 ( 3.525 -4.094 0.000) 5.402 5.486 ( 0.505 -3.342 0.000) 3.380 5.579 ( 0.133 -0.672 0.000) 0.685 5.584 ( -0.461 -0.771 0.000) 0.898 5.723 ( -0.164 -2.258 0.000) 2.264 5.727 ( -0.508 -0.712 0.000) 0.875 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 -1.484 0.000) 1.484 0.986 ( 0.000 1.644 0.000) 1.644 1.013 ( 0.000 0.738 0.000) 0.738 1.070 ( 0.000 0.122 0.000) 0.122 1.230 ( 0.000 -1.204 0.000) 1.204 1.253 ( 0.000 -0.747 0.000) 0.747 1.285 ( 0.000 3.688 0.000) 3.688 1.293 ( 0.000 9.429 0.000) 9.429 1.297 ( 0.000 2.664 0.000) 2.664 1.371 ( 0.000 6.198 0.000) 6.198 1.402 ( 0.000 8.663 0.000) 8.663 1.571 ( 0.000 6.966 0.000) 6.966 1.620 ( 0.000 5.222 0.000) 5.222 1.704 ( 0.000 3.804 0.000) 3.804 1.828 ( 0.000 0.051 0.000) 0.051 1.888 ( 0.000 5.489 0.000) 5.489 1.920 ( 0.000 4.211 0.000) 4.211 1.974 ( 0.000 2.505 0.000) 2.505 2.124 ( 0.000 -6.171 0.000) 6.171 2.177 ( 0.000 -10.473 0.000) 10.473 2.271 ( 0.000 -3.267 0.000) 3.267 2.324 ( 0.000 0.034 0.000) 0.034 2.344 ( 0.000 -3.522 0.000) 3.522 2.418 ( 0.000 -1.148 0.000) 1.148 2.475 ( 0.000 -1.645 0.000) 1.645 2.486 ( 0.000 -0.833 0.000) 0.833 2.600 ( 0.000 11.370 0.000) 11.370 2.651 ( 0.000 3.676 0.000) 3.676 2.680 ( 0.000 14.991 0.000) 14.991 2.711 ( 0.000 6.298 0.000) 6.298 2.770 ( 0.000 8.758 0.000) 8.758 2.779 ( 0.000 6.048 0.000) 6.048 2.868 ( 0.000 14.345 0.000) 14.345 2.942 ( 0.000 11.823 0.000) 11.823 3.392 ( 0.000 -3.063 0.000) 3.063 3.418 ( 0.000 -1.687 0.000) 1.687 3.909 ( 0.000 4.307 0.000) 4.307 4.021 ( 0.000 -0.647 0.000) 0.647 4.031 ( 0.000 3.837 0.000) 3.837 4.069 ( 0.000 -6.361 0.000) 6.361 4.182 ( 0.000 -1.411 0.000) 1.411 4.189 ( 0.000 0.751 0.000) 0.751 4.196 ( 0.000 0.728 0.000) 0.728 4.211 ( 0.000 -0.424 0.000) 0.424 4.229 ( 0.000 -3.229 0.000) 3.229 4.284 ( 0.000 -0.904 0.000) 0.904 4.333 ( 0.000 3.577 0.000) 3.577 4.390 ( 0.000 -1.544 0.000) 1.544 4.395 ( 0.000 3.619 0.000) 3.619 4.474 ( 0.000 3.611 0.000) 3.611 4.478 ( 0.000 4.003 0.000) 4.003 4.727 ( 0.000 -3.676 0.000) 3.676 4.769 ( 0.000 1.689 0.000) 1.689 4.848 ( 0.000 2.069 0.000) 2.069 4.896 ( 0.000 1.126 0.000) 1.126 4.912 ( 0.000 1.840 0.000) 1.840 4.954 ( 0.000 0.489 0.000) 0.489 4.969 ( 0.000 -1.049 0.000) 1.049 4.982 ( 0.000 2.854 0.000) 2.854 5.050 ( 0.000 3.422 0.000) 3.422 5.062 ( 0.000 -3.780 0.000) 3.780 5.083 ( 0.000 0.554 0.000) 0.554 5.169 ( 0.000 -0.295 0.000) 0.295 5.247 ( 0.000 -3.197 0.000) 3.197 5.252 ( 0.000 2.111 0.000) 2.111 5.344 ( 0.000 -3.010 0.000) 3.010 5.364 ( 0.000 -1.597 0.000) 1.597 5.377 ( 0.000 -0.698 0.000) 0.698 5.584 ( 0.000 1.096 0.000) 1.096 5.590 ( 0.000 0.260 0.000) 0.260 5.675 ( 0.000 -1.970 0.000) 1.970 5.743 ( 0.000 -0.529 0.000) 0.529 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.387 -0.838 0.000) 0.923 0.993 ( 0.364 1.368 0.000) 1.416 1.022 ( 0.633 0.325 0.000) 0.711 1.065 ( -0.517 0.467 0.000) 0.697 1.236 ( 0.342 -0.617 0.000) 0.705 1.247 ( -0.937 -0.069 0.000) 0.939 1.268 ( -1.049 3.216 0.000) 3.383 1.292 ( -0.282 2.345 0.000) 2.362 1.324 ( 2.781 8.756 0.000) 9.187 1.422 ( 3.223 6.079 0.000) 6.881 1.535 ( 9.989 7.659 0.000) 12.587 1.588 ( 1.648 5.637 0.000) 5.873 1.627 ( 0.788 5.558 0.000) 5.613 1.764 ( 4.710 4.149 0.000) 6.277 1.815 ( -1.757 0.489 0.000) 1.824 1.915 ( -0.585 4.113 0.000) 4.155 1.928 ( 5.721 4.341 0.000) 7.182 1.993 ( 5.936 2.663 0.000) 6.506 2.150 ( 1.606 -4.890 0.000) 5.146 2.189 ( 1.499 -8.735 0.000) 8.863 2.260 ( -1.068 -3.542 0.000) 3.699 2.304 ( -3.562 -3.054 0.000) 4.691 2.329 ( 0.225 -0.184 0.000) 0.291 2.449 ( -2.353 -0.700 0.000) 2.455 2.454 ( 3.850 -1.919 0.000) 4.302 2.501 ( 1.891 -1.958 0.000) 2.723 2.624 ( 1.669 8.919 0.000) 9.074 2.665 ( 1.478 5.729 0.000) 5.916 2.682 ( -0.227 10.662 0.000) 10.664 2.714 ( 0.600 9.148 0.000) 9.168 2.776 ( 0.017 5.462 0.000) 5.462 2.789 ( 1.520 10.157 0.000) 10.270 2.847 ( -1.962 13.600 0.000) 13.741 2.936 ( -0.699 12.026 0.000) 12.046 3.254 ( -13.693 -2.560 0.000) 13.930 3.284 ( -13.008 -1.401 0.000) 13.083 3.925 ( 1.577 3.549 0.000) 3.883 4.011 ( -0.566 0.228 0.000) 0.611 4.035 ( 0.424 3.340 0.000) 3.367 4.052 ( -1.609 -4.899 0.000) 5.157 4.123 ( -2.778 -1.540 0.000) 3.176 4.129 ( -4.093 -0.079 0.000) 4.094 4.214 ( -0.003 0.135 0.000) 0.135 4.218 ( -0.580 0.962 0.000) 1.123 4.277 ( 3.709 -2.243 0.000) 4.334 4.313 ( 1.608 -0.987 0.000) 1.887 4.346 ( 1.058 3.055 0.000) 3.233 4.392 ( 0.284 -0.716 0.000) 0.770 4.420 ( 2.207 2.711 0.000) 3.496 4.488 ( 1.449 3.636 0.000) 3.914 4.489 ( 1.127 3.109 0.000) 3.307 4.706 ( -2.231 -3.322 0.000) 4.002 4.761 ( -0.637 1.274 0.000) 1.424 4.843 ( -4.504 0.916 0.000) 4.597 4.843 ( -0.390 1.939 0.000) 1.978 4.887 ( -1.902 0.354 0.000) 1.935 4.927 ( -0.088 1.341 0.000) 1.344 4.965 ( -1.448 2.570 0.000) 2.950 5.013 ( 0.216 1.254 0.000) 1.272 5.055 ( 0.436 3.450 0.000) 3.477 5.079 ( 5.546 -1.325 0.000) 5.702 5.159 ( -0.668 -0.037 0.000) 0.669 5.201 ( 7.584 -2.862 0.000) 8.106 5.244 ( -0.697 1.850 0.000) 1.977 5.253 ( 0.273 -3.325 0.000) 3.336 5.351 ( 0.816 -2.715 0.000) 2.835 5.398 ( 2.272 -0.972 0.000) 2.471 5.405 ( 2.410 -1.383 0.000) 2.778 5.583 ( -0.099 0.979 0.000) 0.984 5.587 ( -0.256 0.290 0.000) 0.387 5.680 ( 0.539 -1.568 0.000) 1.658 5.735 ( -0.765 -0.497 0.000) 0.912 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.714 0.428 0.000) 0.833 0.993 ( -0.333 1.352 0.000) 1.392 1.034 ( 0.687 0.607 0.000) 0.917 1.050 ( -0.923 1.004 0.000) 1.364 1.227 ( -0.712 1.376 0.000) 1.549 1.229 ( -0.806 2.518 0.000) 2.644 1.266 ( 0.790 -0.167 0.000) 0.807 1.283 ( -0.747 1.043 0.000) 1.283 1.389 ( 3.493 7.388 0.000) 8.172 1.440 ( -1.324 5.867 0.000) 6.014 1.628 ( 2.003 3.722 0.000) 4.227 1.642 ( 1.159 5.435 0.000) 5.557 1.655 ( 2.559 5.470 0.000) 6.039 1.728 ( -4.501 2.283 0.000) 5.047 1.854 ( 2.785 5.019 0.000) 5.740 1.895 ( -1.570 4.274 0.000) 4.553 2.123 ( 9.959 -0.940 0.000) 10.003 2.174 ( 3.667 -2.152 0.000) 4.252 2.226 ( -3.302 -4.694 0.000) 5.739 2.231 ( 8.081 -0.659 0.000) 8.108 2.232 ( -2.834 -2.738 0.000) 3.940 2.242 ( 7.903 -0.562 0.000) 7.923 2.316 ( -2.258 0.211 0.000) 2.268 2.387 ( -4.384 0.629 0.000) 4.429 2.579 ( 10.398 -2.643 0.000) 10.729 2.602 ( 10.385 -3.292 0.000) 10.894 2.649 ( 1.053 5.792 0.000) 5.887 2.669 ( -0.939 6.147 0.000) 6.219 2.700 ( 1.486 10.132 0.000) 10.240 2.731 ( 0.858 10.514 0.000) 10.548 2.774 ( -0.204 6.678 0.000) 6.681 2.804 ( -2.149 11.573 0.000) 11.771 2.810 ( -1.762 7.244 0.000) 7.455 2.915 ( -1.218 11.828 0.000) 11.891 2.916 ( -19.517 -1.793 0.000) 19.599 2.984 ( -14.151 2.485 0.000) 14.367 3.966 ( 2.458 1.315 0.000) 2.788 4.012 ( -1.525 -0.314 0.000) 1.557 4.017 ( 0.436 -0.633 0.000) 0.769 4.048 ( 0.528 3.890 0.000) 3.926 4.060 ( -2.552 -1.848 0.000) 3.151 4.078 ( -1.891 -0.611 0.000) 1.988 4.210 ( -0.065 1.109 0.000) 1.111 4.212 ( -0.145 0.621 0.000) 0.637 4.322 ( 0.739 -0.558 0.000) 0.926 4.326 ( 0.045 -0.440 0.000) 0.443 4.370 ( 1.620 0.876 0.000) 1.841 4.393 ( -0.478 -0.026 0.000) 0.478 4.471 ( 2.608 2.191 0.000) 3.406 4.500 ( -0.295 2.710 0.000) 2.726 4.541 ( 4.115 1.759 0.000) 4.475 4.636 ( -4.945 -1.367 0.000) 5.130 4.754 ( 0.093 0.535 0.000) 0.543 4.773 ( -2.219 0.456 0.000) 2.266 4.840 ( 0.200 1.598 0.000) 1.611 4.855 ( -1.374 1.039 0.000) 1.723 4.926 ( 0.224 1.507 0.000) 1.523 4.939 ( -1.110 2.054 0.000) 2.335 5.033 ( 1.472 2.520 0.000) 2.919 5.056 ( -0.612 3.115 0.000) 3.175 5.156 ( 0.564 0.429 0.000) 0.708 5.161 ( 1.415 -0.300 0.000) 1.446 5.237 ( 0.776 -1.199 0.000) 1.428 5.253 ( -0.385 -2.985 0.000) 3.009 5.336 ( 5.603 -1.672 0.000) 5.847 5.388 ( 3.164 -2.532 0.000) 4.053 5.408 ( -1.629 -1.016 0.000) 1.919 5.433 ( -0.451 -2.175 0.000) 2.221 5.581 ( -0.097 0.756 0.000) 0.762 5.582 ( -0.220 0.513 0.000) 0.559 5.696 ( 1.052 -0.878 0.000) 1.370 5.717 ( -1.081 -0.546 0.000) 1.211 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 -1.064 0.000) 1.064 0.964 ( 0.000 -2.836 0.000) 2.836 1.003 ( 0.000 -1.658 0.000) 1.658 1.039 ( 0.000 -2.891 0.000) 2.891 1.205 ( 0.000 -1.448 0.000) 1.448 1.242 ( 0.000 -0.745 0.000) 0.745 1.271 ( 0.000 -3.307 0.000) 3.307 1.302 ( 0.000 -2.464 0.000) 2.464 1.488 ( 0.000 5.689 0.000) 5.689 1.503 ( 0.000 11.635 0.000) 11.635 1.547 ( 0.000 5.842 0.000) 5.842 1.703 ( 0.000 6.258 0.000) 6.258 1.738 ( 0.000 0.359 0.000) 0.359 1.749 ( 0.000 7.062 0.000) 7.062 1.800 ( 0.000 -2.133 0.000) 2.133 1.973 ( 0.000 3.045 0.000) 3.045 1.974 ( 0.000 1.085 0.000) 1.085 1.998 ( 0.000 -2.828 0.000) 2.828 2.019 ( 0.000 -4.070 0.000) 4.070 2.022 ( 0.000 -1.596 0.000) 1.596 2.175 ( 0.000 -6.218 0.000) 6.218 2.238 ( 0.000 -7.084 0.000) 7.084 2.324 ( 0.000 0.256 0.000) 0.256 2.405 ( 0.000 -0.108 0.000) 0.108 2.410 ( 0.000 -3.152 0.000) 3.152 2.458 ( 0.000 -1.595 0.000) 1.595 2.745 ( 0.000 5.235 0.000) 5.235 2.820 ( 0.000 4.938 0.000) 4.938 2.822 ( 0.000 10.613 0.000) 10.613 2.870 ( 0.000 3.232 0.000) 3.232 2.876 ( 0.000 5.295 0.000) 5.295 2.944 ( 0.000 7.897 0.000) 7.897 3.109 ( 0.000 10.074 0.000) 10.074 3.178 ( 0.000 10.667 0.000) 10.667 3.348 ( 0.000 -1.532 0.000) 1.532 3.381 ( 0.000 -1.994 0.000) 1.994 3.941 ( 0.000 -5.227 0.000) 5.227 3.956 ( 0.000 -4.530 0.000) 4.530 3.998 ( 0.000 4.552 0.000) 4.552 4.091 ( 0.000 2.011 0.000) 2.011 4.199 ( 0.000 1.694 0.000) 1.694 4.203 ( 0.000 1.911 0.000) 1.911 4.215 ( 0.000 1.472 0.000) 1.472 4.226 ( 0.000 2.519 0.000) 2.519 4.236 ( 0.000 1.493 0.000) 1.493 4.297 ( 0.000 1.685 0.000) 1.685 4.365 ( 0.000 -0.223 0.000) 0.223 4.388 ( 0.000 1.490 0.000) 1.490 4.452 ( 0.000 2.225 0.000) 2.225 4.517 ( 0.000 1.016 0.000) 1.016 4.521 ( 0.000 0.704 0.000) 0.704 4.651 ( 0.000 -4.538 0.000) 4.538 4.818 ( 0.000 3.213 0.000) 3.213 4.881 ( 0.000 1.332 0.000) 1.332 4.919 ( 0.000 1.467 0.000) 1.467 4.923 ( 0.000 0.323 0.000) 0.323 4.959 ( 0.000 -0.097 0.000) 0.097 4.975 ( 0.000 0.859 0.000) 0.859 5.008 ( 0.000 -1.740 0.000) 1.740 5.019 ( 0.000 1.027 0.000) 1.027 5.069 ( 0.000 -1.729 0.000) 1.729 5.096 ( 0.000 1.018 0.000) 1.018 5.167 ( 0.000 0.100 0.000) 0.100 5.186 ( 0.000 -2.636 0.000) 2.636 5.278 ( 0.000 0.078 0.000) 0.078 5.289 ( 0.000 -2.603 0.000) 2.603 5.345 ( 0.000 -0.466 0.000) 0.466 5.365 ( 0.000 -0.610 0.000) 0.610 5.602 ( 0.000 0.901 0.000) 0.901 5.613 ( 0.000 1.827 0.000) 1.827 5.651 ( 0.000 -0.775 0.000) 0.775 5.725 ( 0.000 -1.371 0.000) 1.371 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 1.154 -0.798 0.000) 1.403 0.969 ( 0.580 -2.755 0.000) 2.816 1.008 ( 0.489 -1.722 0.000) 1.791 1.040 ( 0.003 -2.629 0.000) 2.629 1.208 ( 0.343 -1.802 0.000) 1.835 1.237 ( -0.607 -1.032 0.000) 1.198 1.260 ( -1.046 -2.938 0.000) 3.119 1.292 ( -1.045 -2.490 0.000) 2.700 1.520 ( 1.578 10.814 0.000) 10.929 1.537 ( 2.969 5.841 0.000) 6.553 1.662 ( 7.495 4.538 0.000) 8.761 1.698 ( -0.354 5.756 0.000) 5.767 1.754 ( 0.547 6.424 0.000) 6.447 1.790 ( 2.279 -0.044 0.000) 2.279 1.827 ( 5.161 0.081 0.000) 5.162 1.969 ( -0.446 1.228 0.000) 1.307 1.979 ( 1.200 0.155 0.000) 1.210 2.029 ( 7.501 1.443 0.000) 7.639 2.041 ( 2.577 -2.998 0.000) 3.954 2.087 ( 5.432 -2.871 0.000) 6.144 2.153 ( -2.280 -6.766 0.000) 7.140 2.208 ( -2.741 -6.430 0.000) 6.990 2.330 ( 0.534 0.435 0.000) 0.689 2.409 ( -0.350 -2.215 0.000) 2.242 2.422 ( 1.950 -1.225 0.000) 2.303 2.459 ( 0.382 -2.140 0.000) 2.174 2.733 ( -0.464 5.039 0.000) 5.061 2.804 ( -1.497 4.977 0.000) 5.197 2.854 ( 0.049 3.962 0.000) 3.962 2.867 ( 2.699 9.394 0.000) 9.774 2.874 ( -0.264 4.586 0.000) 4.593 2.974 ( 1.516 7.729 0.000) 7.877 3.085 ( -2.248 10.530 0.000) 10.767 3.173 ( -0.715 10.338 0.000) 10.363 3.216 ( -13.012 -1.300 0.000) 13.077 3.258 ( -11.426 -1.286 0.000) 11.498 3.944 ( 0.516 -4.223 0.000) 4.254 3.964 ( 0.699 -3.967 0.000) 4.028 3.998 ( -0.133 3.699 0.000) 3.702 4.069 ( -2.152 0.757 0.000) 2.281 4.153 ( -1.795 3.745 0.000) 4.153 4.175 ( -2.046 4.265 0.000) 4.730 4.236 ( 0.680 1.307 0.000) 1.473 4.243 ( 0.358 1.902 0.000) 1.935 4.267 ( 3.035 0.625 0.000) 3.098 4.314 ( 1.166 0.805 0.000) 1.417 4.370 ( 0.251 -0.531 0.000) 0.587 4.394 ( 0.377 1.131 0.000) 1.192 4.463 ( 1.198 1.694 0.000) 2.075 4.526 ( 0.639 0.728 0.000) 0.969 4.528 ( 0.907 0.554 0.000) 1.062 4.635 ( -1.560 -4.218 0.000) 4.497 4.804 ( -1.240 2.989 0.000) 3.236 4.856 ( -4.007 0.868 0.000) 4.100 4.874 ( -0.595 1.199 0.000) 1.338 4.901 ( -1.601 0.942 0.000) 1.858 4.944 ( -0.258 0.578 0.000) 0.633 5.000 ( -1.612 1.183 0.000) 2.000 5.021 ( 1.669 -0.420 0.000) 1.721 5.067 ( 5.426 0.177 0.000) 5.429 5.096 ( -0.108 0.449 0.000) 0.462 5.148 ( 6.457 -2.498 0.000) 6.924 5.163 ( -0.236 0.411 0.000) 0.474 5.194 ( 0.615 -2.393 0.000) 2.471 5.266 ( -0.486 -0.000 0.000) 0.486 5.303 ( 1.297 -2.147 0.000) 2.508 5.380 ( 2.611 -0.666 0.000) 2.694 5.389 ( 1.663 -0.577 0.000) 1.761 5.601 ( -0.067 1.037 0.000) 1.039 5.611 ( -0.248 1.764 0.000) 1.781 5.660 ( 0.843 -0.773 0.000) 1.144 5.718 ( -0.655 -1.286 0.000) 1.443 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.985 -0.775 0.000) 1.253 0.982 ( 0.395 -1.950 0.000) 1.990 1.019 ( 0.665 -1.771 0.000) 1.891 1.034 ( -0.688 -2.199 0.000) 2.304 1.219 ( 0.525 -2.372 0.000) 2.430 1.224 ( -0.494 -1.521 0.000) 1.599 1.243 ( -0.102 -2.216 0.000) 2.219 1.264 ( -1.656 -2.579 0.000) 3.065 1.552 ( 1.451 8.920 0.000) 9.038 1.566 ( 0.188 6.966 0.000) 6.968 1.696 ( 0.286 3.902 0.000) 3.912 1.707 ( -0.483 1.857 0.000) 1.919 1.772 ( 1.299 5.382 0.000) 5.537 1.798 ( -1.087 3.940 0.000) 4.088 1.925 ( 2.806 1.464 0.000) 3.165 1.956 ( -0.991 1.573 0.000) 1.859 2.022 ( 3.143 -5.370 0.000) 6.222 2.091 ( -3.818 -7.172 0.000) 8.125 2.098 ( 2.914 -4.407 0.000) 5.283 2.152 ( -2.843 -5.430 0.000) 6.129 2.259 ( 9.349 3.494 0.000) 9.980 2.295 ( 12.564 3.520 0.000) 13.048 2.336 ( -0.445 1.537 0.000) 1.600 2.391 ( -1.642 -0.005 0.000) 1.642 2.507 ( 9.873 -4.248 0.000) 10.748 2.534 ( 11.217 -3.870 0.000) 11.866 2.736 ( 0.433 4.351 0.000) 4.372 2.770 ( -1.755 4.785 0.000) 5.096 2.842 ( -10.613 -0.032 0.000) 10.613 2.847 ( -14.764 0.153 0.000) 14.765 2.862 ( -6.737 1.956 0.000) 7.016 2.865 ( -0.639 3.323 0.000) 3.384 2.973 ( -0.359 9.246 0.000) 9.253 3.030 ( -3.376 11.095 0.000) 11.597 3.115 ( 0.185 7.798 0.000) 7.800 3.148 ( -1.848 9.868 0.000) 10.040 3.963 ( 1.466 -2.223 0.000) 2.663 3.983 ( 1.346 -2.219 0.000) 2.595 3.989 ( -0.899 1.088 0.000) 1.411 4.020 ( -2.534 -0.895 0.000) 2.688 4.135 ( -0.154 4.824 0.000) 4.826 4.145 ( -1.106 5.185 0.000) 5.301 4.250 ( 0.591 2.746 0.000) 2.809 4.251 ( 0.419 3.007 0.000) 3.036 4.312 ( 1.168 -0.504 0.000) 1.272 4.322 ( -0.211 -0.128 0.000) 0.247 4.376 ( 0.823 -0.608 0.000) 1.023 4.394 ( -0.569 0.115 0.000) 0.580 4.497 ( 2.109 0.593 0.000) 2.191 4.528 ( -0.712 0.216 0.000) 0.744 4.556 ( 1.869 -0.312 0.000) 1.895 4.596 ( -2.246 -2.551 0.000) 3.399 4.784 ( -0.480 2.497 0.000) 2.542 4.797 ( -1.935 1.901 0.000) 2.713 4.865 ( -0.121 0.956 0.000) 0.964 4.874 ( -1.022 0.770 0.000) 1.279 4.948 ( 0.665 0.987 0.000) 1.190 4.969 ( -1.468 1.234 0.000) 1.918 5.056 ( 1.792 -0.239 0.000) 1.808 5.085 ( -1.105 -0.271 0.000) 1.137 5.152 ( 2.506 -0.178 0.000) 2.512 5.165 ( 0.332 0.384 0.000) 0.508 5.205 ( 0.539 -1.720 0.000) 1.802 5.215 ( -0.195 -1.425 0.000) 1.438 5.315 ( 5.495 -0.583 0.000) 5.526 5.348 ( 3.457 -1.716 0.000) 3.860 5.393 ( -1.870 -0.610 0.000) 1.967 5.402 ( -1.025 -1.146 0.000) 1.537 5.601 ( 0.084 1.360 0.000) 1.363 5.605 ( -0.291 1.611 0.000) 1.637 5.680 ( 1.174 -0.878 0.000) 1.466 5.702 ( -1.013 -1.094 0.000) 1.491 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 -0.507 0.000) 0.507 0.937 ( 0.000 0.974 0.000) 0.974 0.953 ( 0.000 -3.012 0.000) 3.012 0.977 ( 0.000 -3.010 0.000) 3.010 1.183 ( 0.000 -0.371 0.000) 0.371 1.205 ( 0.000 -2.712 0.000) 2.712 1.225 ( 0.000 -0.574 0.000) 0.574 1.240 ( 0.000 -2.469 0.000) 2.469 1.580 ( 0.000 3.612 0.000) 3.612 1.612 ( 0.000 0.716 0.000) 0.716 1.715 ( 0.000 9.543 0.000) 9.543 1.740 ( 0.000 0.323 0.000) 0.323 1.761 ( 0.000 -1.764 0.000) 1.764 1.805 ( 0.000 2.269 0.000) 2.269 1.852 ( 0.000 4.302 0.000) 4.302 1.949 ( 0.000 -4.034 0.000) 4.034 1.952 ( 0.000 -0.501 0.000) 0.501 1.963 ( 0.000 -1.440 0.000) 1.440 2.018 ( 0.000 1.230 0.000) 1.230 2.029 ( 0.000 0.093 0.000) 0.093 2.074 ( 0.000 -2.722 0.000) 2.722 2.101 ( 0.000 -5.599 0.000) 5.599 2.338 ( 0.000 1.153 0.000) 1.153 2.366 ( 0.000 -1.723 0.000) 1.723 2.411 ( 0.000 0.677 0.000) 0.677 2.430 ( 0.000 -1.221 0.000) 1.221 2.837 ( 0.000 4.068 0.000) 4.068 2.888 ( 0.000 -0.925 0.000) 0.925 2.896 ( 0.000 2.812 0.000) 2.812 2.923 ( 0.000 0.194 0.000) 0.194 2.992 ( 0.000 6.012 0.000) 6.012 3.039 ( 0.000 1.374 0.000) 1.374 3.254 ( 0.000 5.051 0.000) 5.051 3.295 ( 0.000 1.378 0.000) 1.378 3.333 ( 0.000 0.006 0.000) 0.006 3.347 ( 0.000 -1.382 0.000) 1.382 3.880 ( 0.000 -1.211 0.000) 1.211 3.889 ( 0.000 -2.109 0.000) 2.109 4.073 ( 0.000 2.982 0.000) 2.982 4.107 ( 0.000 -0.406 0.000) 0.406 4.229 ( 0.000 1.200 0.000) 1.200 4.237 ( 0.000 0.696 0.000) 0.696 4.246 ( 0.000 1.371 0.000) 1.371 4.260 ( 0.000 0.157 0.000) 0.157 4.273 ( 0.000 2.794 0.000) 2.794 4.332 ( 0.000 -2.789 0.000) 2.789 4.375 ( 0.000 6.031 0.000) 6.031 4.432 ( 0.000 1.758 0.000) 1.758 4.487 ( 0.000 1.621 0.000) 1.621 4.515 ( 0.000 -1.114 0.000) 1.114 4.518 ( 0.000 -0.659 0.000) 0.659 4.550 ( 0.000 -5.243 0.000) 5.243 4.877 ( 0.000 2.305 0.000) 2.305 4.897 ( 0.000 0.119 0.000) 0.119 4.943 ( 0.000 1.572 0.000) 1.572 4.951 ( 0.000 1.628 0.000) 1.628 4.959 ( 0.000 -0.058 0.000) 0.058 4.975 ( 0.000 -0.714 0.000) 0.714 4.994 ( 0.000 0.269 0.000) 0.269 5.025 ( 0.000 -2.517 0.000) 2.517 5.036 ( 0.000 1.258 0.000) 1.258 5.076 ( 0.000 -2.455 0.000) 2.455 5.166 ( 0.000 0.151 0.000) 0.151 5.169 ( 0.000 -0.029 0.000) 0.029 5.253 ( 0.000 -0.803 0.000) 0.803 5.260 ( 0.000 -1.252 0.000) 1.252 5.343 ( 0.000 0.279 0.000) 0.279 5.353 ( 0.000 -0.626 0.000) 0.626 5.621 ( 0.000 0.960 0.000) 0.960 5.637 ( 0.000 -0.738 0.000) 0.738 5.652 ( 0.000 2.124 0.000) 2.124 5.692 ( 0.000 -1.952 0.000) 1.952 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.719 -0.535 0.000) 0.896 0.950 ( 1.079 0.750 0.000) 1.314 0.959 ( 0.579 -2.985 0.000) 3.040 0.984 ( 0.482 -2.679 0.000) 2.722 1.180 ( -0.205 -0.557 0.000) 0.594 1.199 ( -0.489 -2.525 0.000) 2.572 1.216 ( -0.901 -0.524 0.000) 1.042 1.234 ( -0.752 -2.387 0.000) 2.503 1.639 ( 3.648 4.365 0.000) 5.688 1.693 ( 4.049 -0.969 0.000) 4.163 1.716 ( -0.038 8.725 0.000) 8.725 1.795 ( 4.986 0.233 0.000) 4.991 1.801 ( -0.574 2.558 0.000) 2.621 1.806 ( 4.106 -1.323 0.000) 4.314 1.839 ( -0.992 3.527 0.000) 3.664 1.941 ( -0.836 -4.537 0.000) 4.614 1.989 ( 2.931 1.634 0.000) 3.356 2.019 ( 2.312 -1.032 0.000) 2.532 2.045 ( 7.851 0.599 0.000) 7.874 2.056 ( -1.636 -1.948 0.000) 2.544 2.059 ( 7.553 -0.610 0.000) 7.578 2.084 ( -1.537 -5.007 0.000) 5.238 2.347 ( 0.835 1.227 0.000) 1.485 2.374 ( 0.654 -1.542 0.000) 1.675 2.410 ( -0.067 0.056 0.000) 0.087 2.424 ( -0.521 -1.352 0.000) 1.449 2.822 ( -0.902 3.911 0.000) 4.014 2.872 ( -1.028 -1.016 0.000) 1.445 2.882 ( -1.388 2.959 0.000) 3.269 2.913 ( -1.024 -0.083 0.000) 1.028 3.027 ( 1.954 5.369 0.000) 5.714 3.063 ( -0.321 1.439 0.000) 1.475 3.208 ( -11.431 0.654 0.000) 11.449 3.234 ( -9.176 -1.423 0.000) 9.285 3.240 ( -1.465 5.401 0.000) 5.596 3.285 ( -1.084 1.233 0.000) 1.642 3.896 ( 1.690 -0.804 0.000) 1.872 3.906 ( 1.741 -1.821 0.000) 2.519 4.058 ( -1.670 2.296 0.000) 2.839 4.080 ( -2.626 0.012 0.000) 2.626 4.230 ( 0.135 3.461 0.000) 3.464 4.247 ( -0.007 2.378 0.000) 2.378 4.255 ( 1.682 0.427 0.000) 1.736 4.268 ( 0.771 0.081 0.000) 0.776 4.285 ( 1.143 1.267 0.000) 1.707 4.333 ( -0.042 -2.988 0.000) 2.988 4.361 ( -1.011 4.426 0.000) 4.540 4.423 ( -1.241 0.219 0.000) 1.260 4.491 ( 0.523 1.414 0.000) 1.508 4.519 ( 0.546 -1.230 0.000) 1.345 4.522 ( 0.295 -0.542 0.000) 0.617 4.551 ( 0.079 -3.588 0.000) 3.589 4.861 ( -1.340 2.430 0.000) 2.775 4.884 ( -3.011 1.821 0.000) 3.519 4.886 ( -0.931 -0.151 0.000) 0.943 4.910 ( -2.368 -0.459 0.000) 2.412 4.962 ( 0.359 1.611 0.000) 1.650 4.999 ( 1.240 -1.780 0.000) 2.170 5.023 ( -1.192 1.615 0.000) 2.007 5.068 ( -0.778 -2.667 0.000) 2.778 5.079 ( 5.772 0.971 0.000) 5.854 5.106 ( 6.209 -1.815 0.000) 6.469 5.170 ( 0.213 0.269 0.000) 0.343 5.173 ( 0.572 -0.168 0.000) 0.597 5.256 ( 0.631 -0.327 0.000) 0.710 5.268 ( 1.084 -1.429 0.000) 1.794 5.374 ( 2.189 0.003 0.000) 2.189 5.379 ( 1.831 -0.433 0.000) 1.882 5.623 ( 0.257 1.172 0.000) 1.200 5.644 ( 0.630 -0.930 0.000) 1.123 5.648 ( -0.365 2.060 0.000) 2.092 5.687 ( -0.499 -1.876 0.000) 1.941 ======================= Grid point 32 (21/63) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 1.248 -0.514 0.000) 1.350 0.964 ( 0.029 0.010 0.000) 0.031 0.974 ( 0.875 -2.567 0.000) 2.712 0.987 ( -0.334 -2.213 0.000) 2.238 1.181 ( 0.352 -0.825 0.000) 0.897 1.195 ( -1.107 -0.566 0.000) 1.244 1.195 ( 0.340 -2.107 0.000) 2.134 1.213 ( -1.246 -2.161 0.000) 2.494 1.689 ( 1.672 5.145 0.000) 5.410 1.710 ( -0.656 6.860 0.000) 6.891 1.739 ( 2.084 0.665 0.000) 2.187 1.778 ( -1.753 2.818 0.000) 3.319 1.828 ( -0.134 1.276 0.000) 1.282 1.829 ( 0.019 0.238 0.000) 0.238 1.879 ( 2.477 -3.729 0.000) 4.477 1.916 ( -1.663 -4.979 0.000) 5.249 2.007 ( 0.522 1.292 0.000) 1.394 2.024 ( -1.368 -0.069 0.000) 1.370 2.033 ( 0.620 -1.849 0.000) 1.950 2.053 ( -1.436 -3.587 0.000) 3.863 2.335 ( 11.057 4.281 0.000) 11.857 2.367 ( 1.007 1.441 0.000) 1.758 2.370 ( 13.698 4.116 0.000) 14.303 2.386 ( 0.594 -0.586 0.000) 0.835 2.422 ( 8.091 -4.459 0.000) 9.238 2.454 ( 10.554 -4.320 0.000) 11.404 2.803 ( -8.815 1.905 0.000) 9.019 2.825 ( -17.373 -1.058 0.000) 17.405 2.845 ( -11.170 1.068 0.000) 11.221 2.849 ( -1.738 3.222 0.000) 3.661 2.873 ( -2.200 -0.776 0.000) 2.332 2.888 ( -1.364 -0.607 0.000) 1.493 3.139 ( 3.078 6.492 0.000) 7.185 3.199 ( -2.734 6.099 0.000) 6.684 3.201 ( 2.801 0.506 0.000) 2.846 3.253 ( -2.268 0.955 0.000) 2.461 3.943 ( 3.118 -0.017 0.000) 3.118 3.954 ( 3.055 -0.982 0.000) 3.209 4.008 ( -3.367 0.914 0.000) 3.488 4.018 ( -3.461 0.037 0.000) 3.461 4.234 ( 0.283 4.928 0.000) 4.936 4.242 ( -0.479 4.224 0.000) 4.251 4.286 ( 0.954 -0.359 0.000) 1.019 4.295 ( 1.920 -0.331 0.000) 1.948 4.301 ( 0.269 1.060 0.000) 1.094 4.337 ( -1.671 2.284 0.000) 2.830 4.344 ( 1.764 -2.585 0.000) 3.129 4.387 ( -2.285 -1.634 0.000) 2.809 4.507 ( 0.994 0.922 0.000) 1.356 4.522 ( -0.390 0.170 0.000) 0.425 4.535 ( 0.979 -1.614 0.000) 1.888 4.549 ( -0.397 -2.145 0.000) 2.181 4.838 ( -0.713 2.646 0.000) 2.740 4.842 ( -1.222 2.503 0.000) 2.786 4.871 ( -0.402 -0.592 0.000) 0.715 4.876 ( -1.037 -0.764 0.000) 1.288 4.975 ( 0.944 2.052 0.000) 2.258 4.997 ( -1.358 2.021 0.000) 2.435 5.025 ( 1.319 -2.667 0.000) 2.975 5.049 ( -1.156 -2.921 0.000) 3.141 5.161 ( 2.037 0.986 0.000) 2.263 5.174 ( 0.071 0.558 0.000) 0.563 5.185 ( 0.557 -0.635 0.000) 0.845 5.186 ( 1.166 -1.498 0.000) 1.898 5.310 ( 4.933 0.059 0.000) 4.934 5.321 ( 4.294 -1.084 0.000) 4.429 5.384 ( -1.833 -0.196 0.000) 1.843 5.387 ( -1.561 -0.439 0.000) 1.622 5.630 ( 0.441 1.580 0.000) 1.640 5.640 ( -0.497 1.888 0.000) 1.952 5.659 ( 0.849 -1.323 0.000) 1.572 5.675 ( -0.750 -1.667 0.000) 1.828 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( 0.000 0.000 14.020) 14.020 0.383 ( 0.000 0.000 18.773) 18.773 0.552 ( 0.000 0.000 26.424) 26.424 0.630 ( 0.000 0.000 -0.498) 0.498 0.754 ( 0.000 0.000 -0.981) 0.981 0.853 ( 0.000 0.000 -0.910) 0.910 0.910 ( 0.000 0.000 -3.784) 3.784 0.993 ( 0.000 0.000 0.257) 0.257 1.044 ( 0.000 0.000 -0.611) 0.611 1.069 ( 0.000 0.000 5.212) 5.212 1.200 ( 0.000 0.000 2.573) 2.573 1.248 ( 0.000 0.000 -0.952) 0.952 1.348 ( 0.000 0.000 -3.854) 3.854 1.452 ( 0.000 0.000 -2.386) 2.386 1.482 ( 0.000 0.000 -13.403) 13.403 1.554 ( 0.000 0.000 2.083) 2.083 1.616 ( 0.000 0.000 -7.737) 7.737 1.651 ( 0.000 0.000 -1.988) 1.988 1.867 ( 0.000 0.000 1.993) 1.993 2.013 ( 0.000 0.000 0.471) 0.471 2.028 ( 0.000 0.000 0.012) 0.012 2.039 ( 0.000 0.000 -0.007) 0.007 2.051 ( 0.000 0.000 -0.348) 0.348 2.151 ( 0.000 0.000 -6.986) 6.986 2.334 ( 0.000 0.000 6.370) 6.370 2.342 ( 0.000 0.000 4.475) 4.475 2.476 ( 0.000 0.000 0.418) 0.418 2.488 ( 0.000 0.000 -1.670) 1.670 2.543 ( 0.000 0.000 -0.500) 0.500 2.638 ( 0.000 0.000 5.641) 5.641 2.674 ( 0.000 0.000 -1.099) 1.099 2.714 ( 0.000 0.000 -2.168) 2.168 2.808 ( 0.000 0.000 1.183) 1.183 2.881 ( 0.000 0.000 -0.836) 0.836 3.535 ( 0.000 0.000 2.097) 2.097 3.640 ( 0.000 0.000 1.138) 1.138 3.650 ( 0.000 0.000 -2.668) 2.668 3.703 ( 0.000 0.000 -1.309) 1.309 3.778 ( 0.000 0.000 0.181) 0.181 3.796 ( 0.000 0.000 -0.824) 0.824 3.902 ( 0.000 0.000 0.314) 0.314 3.937 ( 0.000 0.000 -1.020) 1.020 3.954 ( 0.000 0.000 1.712) 1.712 3.997 ( 0.000 0.000 1.388) 1.388 4.017 ( 0.000 0.000 -1.076) 1.076 4.063 ( 0.000 0.000 -1.421) 1.421 4.197 ( 0.000 0.000 0.972) 0.972 4.249 ( 0.000 0.000 -1.262) 1.262 4.511 ( 0.000 0.000 -2.345) 2.345 4.515 ( 0.000 0.000 -1.470) 1.470 4.584 ( 0.000 0.000 1.639) 1.639 4.645 ( 0.000 0.000 1.728) 1.728 4.666 ( 0.000 0.000 -1.896) 1.896 4.705 ( 0.000 0.000 -0.748) 0.748 4.838 ( 0.000 0.000 0.643) 0.643 4.863 ( 0.000 0.000 0.233) 0.233 4.922 ( 0.000 0.000 1.044) 1.044 4.931 ( 0.000 0.000 0.190) 0.190 4.979 ( 0.000 0.000 1.646) 1.646 5.046 ( 0.000 0.000 5.304) 5.304 5.054 ( 0.000 0.000 -1.836) 1.836 5.198 ( 0.000 0.000 1.049) 1.049 5.277 ( 0.000 0.000 0.610) 0.610 5.297 ( 0.000 0.000 -3.434) 3.434 5.327 ( 0.000 0.000 -1.277) 1.277 5.374 ( 0.000 0.000 -1.487) 1.487 5.474 ( 0.000 0.000 0.414) 0.414 5.496 ( 0.000 0.000 -0.514) 0.514 5.647 ( 0.000 0.000 2.378) 2.378 5.730 ( 0.000 0.000 -1.313) 1.313 6.028 ( 0.000 0.000 0.584) 0.584 6.053 ( 0.000 0.000 -0.495) 0.495 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 5.235 0.000 11.654) 12.776 0.501 ( 9.879 0.000 11.938) 15.495 0.725 ( 8.989 0.000 9.077) 12.775 0.773 ( 1.780 0.000 -0.980) 2.032 0.799 ( 8.546 0.000 0.107) 8.546 0.843 ( -1.156 0.000 -0.558) 1.284 0.898 ( -1.190 0.000 -3.065) 3.287 0.983 ( -0.721 0.000 -2.263) 2.375 1.056 ( 2.945 0.000 0.329) 2.963 1.183 ( 3.563 0.000 1.927) 4.051 1.222 ( 2.388 0.000 2.827) 3.700 1.252 ( 8.900 0.000 3.612) 9.605 1.379 ( 3.057 0.000 -3.824) 4.896 1.512 ( 6.445 0.000 -3.660) 7.412 1.516 ( -3.845 0.000 2.392) 4.528 1.580 ( 10.052 0.000 -9.145) 13.590 1.625 ( -2.613 0.000 -2.208) 3.421 1.634 ( 1.713 0.000 -3.441) 3.844 1.891 ( 2.960 0.000 0.550) 3.010 2.016 ( 0.229 0.000 0.304) 0.381 2.026 ( -0.147 0.000 0.107) 0.182 2.035 ( -0.366 0.000 -0.039) 0.368 2.047 ( -0.411 0.000 -0.312) 0.516 2.050 ( -4.165 0.000 -1.587) 4.457 2.275 ( -5.356 0.000 7.102) 8.895 2.351 ( -3.967 0.000 1.806) 4.358 2.421 ( 1.679 0.000 4.215) 4.537 2.508 ( -1.259 0.000 1.438) 1.911 2.527 ( 2.518 0.000 -0.497) 2.566 2.567 ( -4.076 0.000 0.094) 4.077 2.719 ( 0.528 0.000 1.068) 1.191 2.772 ( 4.947 0.000 -3.673) 6.162 2.783 ( -1.892 0.000 0.603) 1.986 2.814 ( -1.779 0.000 -0.917) 2.001 3.383 ( -14.222 0.000 2.352) 14.415 3.506 ( -13.796 0.000 -2.890) 14.095 3.642 ( 0.241 0.000 1.053) 1.080 3.690 ( -1.099 0.000 -0.619) 1.261 3.783 ( 0.399 0.000 -0.522) 0.657 3.797 ( 0.044 0.000 -0.881) 0.882 3.909 ( 0.699 0.000 0.470) 0.842 3.944 ( 0.694 0.000 -0.932) 1.162 3.951 ( -0.371 0.000 1.577) 1.620 4.010 ( -0.757 0.000 -1.032) 1.280 4.133 ( 5.648 0.000 0.478) 5.669 4.219 ( 2.293 0.000 0.812) 2.432 4.245 ( 5.749 0.000 -4.365) 7.218 4.329 ( 10.426 0.000 -6.984) 12.549 4.494 ( -1.577 0.000 -1.211) 1.988 4.502 ( -0.340 0.000 -2.379) 2.403 4.589 ( 0.438 0.000 1.676) 1.733 4.638 ( -0.739 0.000 1.721) 1.873 4.670 ( 0.389 0.000 -1.784) 1.826 4.702 ( -0.370 0.000 -0.884) 0.958 4.746 ( -6.346 0.000 4.739) 7.920 4.810 ( -8.453 0.000 2.873) 8.928 4.870 ( -0.576 0.000 -1.102) 1.244 4.889 ( -3.321 0.000 -0.240) 3.329 4.936 ( 1.175 0.000 0.896) 1.478 5.000 ( -1.224 0.000 -1.094) 1.642 5.152 ( 2.726 0.000 2.907) 3.985 5.248 ( -1.246 0.000 -0.597) 1.382 5.275 ( 3.977 0.000 -0.830) 4.063 5.347 ( 1.125 0.000 -1.671) 2.014 5.383 ( 3.945 0.000 -1.036) 4.079 5.461 ( 6.061 0.000 -3.788) 7.147 5.531 ( 5.096 0.000 -0.596) 5.131 5.554 ( 5.827 0.000 -1.437) 6.001 5.658 ( 1.148 0.000 2.899) 3.118 5.758 ( 2.464 0.000 -1.438) 2.853 5.932 ( -6.940 0.000 3.935) 7.978 6.009 ( -4.259 0.000 -0.926) 4.359 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 8.058 0.000 1.751) 8.246 0.684 ( 8.025 0.000 4.362) 9.134 0.702 ( -9.828 0.000 -1.247) 9.907 0.793 ( -2.938 0.000 -0.101) 2.940 0.823 ( 1.717 0.000 -0.259) 1.737 0.833 ( 3.506 0.000 -3.510) 4.961 0.866 ( -2.104 0.000 -1.685) 2.695 0.918 ( -5.085 0.000 -4.961) 7.104 1.213 ( 6.338 0.000 4.024) 7.508 1.270 ( 2.659 0.000 2.958) 3.978 1.297 ( 5.356 0.000 3.272) 6.276 1.414 ( -6.173 0.000 2.971) 6.850 1.417 ( 7.235 0.000 7.930) 10.735 1.459 ( 4.791 0.000 -3.368) 5.856 1.545 ( -4.266 0.000 1.052) 4.394 1.553 ( -4.649 0.000 -2.764) 5.408 1.743 ( 9.143 0.000 -1.543) 9.272 1.804 ( 4.520 0.000 -4.189) 6.162 2.016 ( 10.130 0.000 -1.143) 10.194 2.020 ( 0.243 0.000 -0.029) 0.244 2.026 ( -0.126 0.000 -0.172) 0.214 2.028 ( 0.056 0.000 0.257) 0.263 2.037 ( -0.561 0.000 -0.123) 0.574 2.059 ( 3.922 0.000 -4.137) 5.700 2.215 ( 0.335 0.000 4.627) 4.639 2.288 ( -1.525 0.000 1.333) 2.026 2.363 ( -4.265 0.000 1.799) 4.629 2.463 ( -8.042 0.000 -1.898) 8.263 2.551 ( 4.563 0.000 2.645) 5.274 2.594 ( 2.252 0.000 -0.528) 2.313 2.696 ( -1.788 0.000 3.707) 4.116 2.724 ( -3.348 0.000 1.431) 3.641 2.854 ( 6.095 0.000 -2.636) 6.641 2.906 ( 9.046 0.000 -4.012) 9.896 3.071 ( -14.872 0.000 0.873) 14.898 3.185 ( -17.422 0.000 -3.372) 17.746 3.650 ( 0.663 0.000 0.776) 1.021 3.668 ( -1.109 0.000 0.245) 1.135 3.790 ( 0.360 0.000 -1.088) 1.146 3.796 ( -0.188 0.000 -1.089) 1.105 3.925 ( 0.869 0.000 0.811) 1.189 3.940 ( -0.683 0.000 1.234) 1.411 3.963 ( 1.292 0.000 -0.851) 1.547 3.989 ( -1.295 0.000 -0.923) 1.590 4.222 ( 3.322 0.000 0.762) 3.408 4.256 ( 0.348 0.000 1.115) 1.168 4.324 ( 3.714 0.000 -1.436) 3.982 4.389 ( -2.646 0.000 -2.853) 3.891 4.506 ( 3.389 0.000 0.249) 3.398 4.550 ( 3.418 0.000 -1.182) 3.616 4.601 ( 0.851 0.000 1.740) 1.937 4.620 ( -1.032 0.000 1.753) 2.034 4.636 ( -4.333 0.000 2.406) 4.956 4.675 ( -5.373 0.000 1.286) 5.525 4.680 ( 0.610 0.000 -1.547) 1.663 4.692 ( -0.603 0.000 -1.207) 1.349 4.851 ( -0.860 0.000 -0.811) 1.182 4.853 ( -0.820 0.000 -0.987) 1.283 4.959 ( 1.132 0.000 0.228) 1.155 4.979 ( -0.963 0.000 -0.227) 0.989 5.186 ( 1.435 0.000 1.248) 1.902 5.216 ( -1.670 0.000 0.005) 1.670 5.324 ( 1.458 0.000 -2.770) 3.130 5.345 ( -0.776 0.000 -3.040) 3.137 5.488 ( 4.545 0.000 1.014) 4.657 5.523 ( 0.852 0.000 -0.363) 0.926 5.620 ( 3.539 0.000 -0.456) 3.568 5.644 ( 1.583 0.000 -1.306) 2.052 5.707 ( 4.506 0.000 3.337) 5.607 5.800 ( -2.602 0.000 3.307) 4.208 5.824 ( 0.562 0.000 -1.325) 1.439 5.909 ( -5.579 0.000 -1.430) 5.760 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.000 9.757 8.289) 12.803 0.429 ( 0.000 12.494 8.268) 14.982 0.683 ( 0.000 6.242 -2.098) 6.585 0.877 ( 0.000 -0.706 -5.656) 5.700 0.886 ( 0.000 19.468 9.524) 21.673 0.920 ( 0.000 12.973 -1.376) 13.046 1.020 ( 0.000 0.606 0.242) 0.652 1.025 ( 0.000 14.446 4.860) 15.242 1.071 ( 0.000 4.256 1.444) 4.494 1.094 ( 0.000 2.818 -1.278) 3.094 1.133 ( 0.000 -4.817 -0.049) 4.818 1.327 ( 0.000 -2.090 -2.945) 3.612 1.344 ( 0.000 3.227 -0.896) 3.349 1.378 ( 0.000 -7.104 -1.385) 7.238 1.546 ( 0.000 10.941 -7.256) 13.129 1.624 ( 0.000 6.906 -4.987) 8.519 1.724 ( 0.000 1.430 -0.043) 1.430 1.745 ( 0.000 4.087 -0.611) 4.132 1.868 ( 0.000 6.616 -2.820) 7.192 1.947 ( 0.000 -2.250 -0.405) 2.286 2.067 ( 0.000 4.247 -1.605) 4.540 2.074 ( 0.000 4.351 -2.120) 4.840 2.162 ( 0.000 9.019 1.763) 9.190 2.238 ( 0.000 7.096 -2.111) 7.403 2.345 ( 0.000 0.999 4.756) 4.859 2.348 ( 0.000 1.405 6.261) 6.417 2.474 ( 0.000 0.011 -0.127) 0.128 2.479 ( 0.000 -5.601 6.646) 8.691 2.489 ( 0.000 -2.184 0.921) 2.370 2.529 ( 0.000 -1.241 -0.188) 1.255 2.581 ( 0.000 -4.446 2.292) 5.003 2.691 ( 0.000 -2.556 -1.203) 2.825 2.715 ( 0.000 -3.845 0.047) 3.845 2.787 ( 0.000 -1.691 -0.543) 1.776 3.505 ( 0.000 -1.448 2.322) 2.736 3.615 ( 0.000 -3.000 -2.391) 3.836 3.783 ( 0.000 6.462 0.891) 6.523 3.846 ( 0.000 6.717 -1.627) 6.911 3.880 ( 0.000 3.371 0.325) 3.387 3.898 ( 0.000 2.001 0.149) 2.007 3.957 ( 0.000 3.031 0.834) 3.143 3.968 ( 0.000 5.619 0.073) 5.620 3.992 ( 0.000 5.058 0.508) 5.083 4.086 ( 0.000 2.358 -0.754) 2.475 4.095 ( 0.000 4.907 -0.287) 4.916 4.199 ( 0.000 0.431 0.834) 0.939 4.247 ( 0.000 -0.015 -1.178) 1.178 4.253 ( 0.000 17.744 -18.050) 25.311 4.500 ( 0.000 -1.089 -1.554) 1.898 4.510 ( 0.000 -0.449 -1.295) 1.371 4.624 ( 0.000 0.695 1.567) 1.714 4.631 ( 0.000 1.493 2.204) 2.662 4.691 ( 0.000 2.072 -1.584) 2.608 4.710 ( 0.000 0.973 -0.590) 1.138 4.853 ( 0.000 -1.064 1.015) 1.470 4.862 ( 0.000 1.344 -1.228) 1.820 4.911 ( 0.000 -0.840 0.427) 0.942 4.921 ( 0.000 -1.233 0.103) 1.238 4.982 ( 0.000 0.273 1.516) 1.540 5.038 ( 0.000 -1.822 -1.103) 2.129 5.047 ( 0.000 0.149 3.305) 3.308 5.229 ( 0.000 0.589 -4.139) 4.181 5.251 ( 0.000 -2.538 -0.921) 2.700 5.266 ( 0.000 -1.097 1.086) 1.544 5.322 ( 0.000 -0.287 -1.475) 1.503 5.360 ( 0.000 -1.023 -1.834) 2.100 5.466 ( 0.000 -0.708 0.373) 0.800 5.485 ( 0.000 -1.153 -0.438) 1.233 5.631 ( 0.000 -1.509 2.182) 2.653 5.705 ( 0.000 -2.616 -0.855) 2.752 5.886 ( 0.000 -8.123 8.076) 11.455 5.994 ( 0.000 -5.673 -0.677) 5.713 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 7.700 6.609 5.307) 11.452 0.547 ( 4.537 7.594 7.332) 11.489 0.787 ( 4.447 3.867 -1.340) 6.044 0.851 ( -1.569 0.971 -6.129) 6.401 0.901 ( 1.171 11.881 -0.069) 11.939 0.950 ( 0.595 10.545 -1.665) 10.692 1.015 ( -0.826 2.444 0.826) 2.709 1.069 ( 3.089 2.543 -0.395) 4.020 1.092 ( 1.786 10.870 2.489) 11.294 1.136 ( 5.424 4.561 2.758) 7.604 1.245 ( 11.346 2.889 4.882) 12.685 1.375 ( 1.955 -2.692 -1.197) 3.536 1.383 ( 4.381 -1.538 0.731) 4.700 1.427 ( 5.282 4.349 -2.742) 7.371 1.495 ( -0.037 5.014 -2.568) 5.634 1.681 ( 4.944 8.125 -5.083) 10.784 1.695 ( -0.215 1.410 0.251) 1.448 1.730 ( -2.456 1.842 -0.545) 3.118 1.867 ( 0.026 3.702 -0.602) 3.750 1.932 ( 0.381 0.922 -1.622) 1.904 2.056 ( -0.889 3.477 -0.872) 3.694 2.086 ( 1.668 4.711 -2.073) 5.410 2.155 ( -0.589 9.259 1.561) 9.408 2.212 ( -1.294 8.642 -1.012) 8.797 2.299 ( -3.468 2.590 4.897) 6.536 2.365 ( -3.695 1.582 1.670) 4.353 2.400 ( 1.444 -1.330 4.643) 5.041 2.501 ( -0.874 -0.640 1.815) 2.114 2.522 ( 2.975 -0.417 -1.303) 3.274 2.536 ( -2.649 -2.348 -0.889) 3.650 2.655 ( 7.671 -6.702 0.088) 10.187 2.691 ( -0.856 -3.663 2.812) 4.697 2.749 ( 2.163 -2.923 -2.645) 4.496 2.772 ( -0.291 -1.061 -0.698) 1.303 3.360 ( -14.059 -1.493 2.134) 14.298 3.469 ( -13.923 -3.198 -2.530) 14.508 3.773 ( -0.942 6.905 0.492) 6.987 3.811 ( -3.150 7.162 -0.990) 7.886 3.864 ( -0.490 6.232 0.111) 6.252 3.881 ( -0.954 6.273 -0.454) 6.361 3.967 ( 0.319 2.064 0.542) 2.158 3.970 ( 0.283 4.640 0.354) 4.662 3.988 ( -0.127 4.017 -0.055) 4.020 4.027 ( -2.540 4.561 -1.365) 5.396 4.158 ( 4.949 2.724 0.948) 5.728 4.228 ( 2.675 1.070 1.187) 3.116 4.262 ( 2.633 0.949 -2.251) 3.592 4.373 ( 5.501 3.492 -8.843) 10.984 4.485 ( -1.542 -1.052 -1.034) 2.134 4.498 ( -0.138 -0.027 -1.885) 1.890 4.610 ( -1.696 -2.561 2.859) 4.196 4.634 ( 0.649 4.164 1.128) 4.362 4.686 ( -1.783 -0.279 -0.089) 1.807 4.700 ( 0.153 2.414 -1.236) 2.717 4.788 ( -3.987 2.679 1.616) 5.068 4.831 ( -6.711 1.829 1.702) 7.161 4.869 ( -0.768 -0.011 -0.944) 1.217 4.892 ( -3.556 0.348 -0.209) 3.579 4.924 ( 0.953 -1.087 0.751) 1.629 4.976 ( -1.387 -2.351 -0.725) 2.824 5.148 ( 2.658 -0.373 2.183) 3.460 5.231 ( -1.385 -2.180 -0.838) 2.715 5.275 ( 4.563 -0.021 0.351) 4.576 5.336 ( 1.188 -0.826 -1.461) 2.056 5.374 ( 2.689 -0.636 -1.814) 3.305 5.431 ( 7.444 -2.992 -4.204) 9.058 5.515 ( 4.334 -1.513 -0.352) 4.604 5.530 ( 4.620 -2.075 -0.716) 5.115 5.641 ( 1.041 -1.564 2.547) 3.165 5.730 ( 2.352 -3.093 -1.329) 4.107 5.842 ( -3.822 -5.866 6.657) 9.661 5.955 ( -3.730 -5.144 -0.974) 6.428 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 3.460 4.593 0.602) 5.782 0.583 ( -0.102 0.822 2.446) 2.582 0.811 ( 0.214 2.167 -3.591) 4.200 0.818 ( -1.082 2.647 -5.440) 6.146 0.932 ( 0.440 8.259 -0.732) 8.303 0.963 ( 3.179 9.990 -0.767) 10.511 0.971 ( -3.018 9.343 1.976) 10.015 1.033 ( -3.634 9.173 -1.197) 9.939 1.167 ( 4.837 -1.380 3.328) 6.031 1.230 ( -0.475 1.186 0.458) 1.357 1.346 ( 1.600 2.472 2.465) 3.840 1.376 ( -1.233 -1.188 2.186) 2.777 1.505 ( 7.014 7.036 2.436) 10.229 1.530 ( 5.892 4.634 -1.133) 7.581 1.623 ( -4.223 4.477 -0.190) 6.157 1.643 ( -5.097 3.447 -0.936) 6.224 1.690 ( 11.155 -0.346 1.311) 11.237 1.811 ( -1.455 4.095 -0.156) 4.349 1.950 ( 7.471 0.948 -3.636) 8.363 1.964 ( 1.940 1.159 -3.334) 4.028 2.070 ( 5.217 3.885 1.948) 6.790 2.141 ( -0.747 8.348 1.652) 8.542 2.173 ( 7.065 6.879 -1.980) 10.058 2.203 ( 1.203 7.516 -0.822) 7.656 2.255 ( -1.107 5.058 2.095) 5.585 2.297 ( -3.322 1.367 1.533) 3.906 2.356 ( -3.776 -0.073 1.010) 3.909 2.442 ( -7.641 -1.933 -1.755) 8.074 2.539 ( 3.876 -0.928 2.856) 4.903 2.585 ( 1.142 -0.971 -0.241) 1.518 2.668 ( -0.131 -2.274 2.832) 3.635 2.712 ( -3.122 -1.082 0.162) 3.308 2.799 ( 8.534 -3.910 -0.859) 9.426 2.874 ( 9.088 -2.895 -3.181) 10.054 3.042 ( -16.154 -2.196 1.350) 16.359 3.146 ( -17.456 -3.455 -2.908) 18.031 3.758 ( -0.340 7.517 0.120) 7.526 3.766 ( -1.328 8.173 -0.141) 8.281 3.861 ( 0.091 6.196 -0.390) 6.209 3.867 ( -0.499 6.201 -0.559) 6.246 3.969 ( 0.094 3.653 0.459) 3.683 3.972 ( -0.156 3.511 0.556) 3.559 3.991 ( 0.434 2.811 -0.447) 2.879 4.001 ( -0.641 1.900 -0.619) 2.098 4.238 ( 3.150 1.746 0.727) 3.674 4.269 ( 0.463 1.491 1.154) 1.942 4.327 ( 3.539 0.389 -1.278) 3.782 4.390 ( -2.620 0.132 -2.665) 3.740 4.481 ( 1.881 -2.030 0.734) 2.863 4.522 ( 0.121 -2.233 0.358) 2.265 4.579 ( 0.295 -1.937 0.747) 2.097 4.631 ( -3.296 -1.239 0.486) 3.554 4.658 ( 1.792 4.196 1.024) 4.676 4.705 ( -1.655 3.447 0.040) 3.824 4.724 ( -1.054 3.942 -0.121) 4.083 4.746 ( -2.103 3.604 -0.347) 4.187 4.849 ( -0.822 -0.202 -0.943) 1.268 4.851 ( -0.970 -0.072 -0.961) 1.368 4.943 ( 0.880 -1.605 0.447) 1.884 4.958 ( -0.715 -2.119 0.106) 2.239 5.177 ( 1.114 -0.809 1.037) 1.724 5.201 ( -1.438 -1.403 0.095) 2.011 5.325 ( 1.198 0.134 -2.340) 2.632 5.340 ( -0.493 -0.343 -2.588) 2.657 5.469 ( 4.758 -1.895 0.803) 5.184 5.507 ( 0.962 -1.660 -0.660) 2.029 5.593 ( 3.073 -2.712 -0.731) 4.163 5.612 ( 1.829 -3.184 -1.669) 4.033 5.680 ( 3.475 -2.431 3.415) 5.444 5.756 ( -3.522 -4.972 3.153) 6.861 5.790 ( 2.583 -1.888 -0.476) 3.235 5.868 ( -4.832 -3.853 -1.264) 6.308 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.000 19.819 -5.004) 20.441 0.683 ( 0.000 12.796 3.767) 13.339 0.830 ( 0.000 8.309 -1.640) 8.469 0.886 ( 0.000 2.725 -8.654) 9.073 1.014 ( 0.000 1.213 -3.688) 3.883 1.037 ( 0.000 -2.942 -0.706) 3.025 1.114 ( 0.000 5.663 -1.339) 5.820 1.128 ( 0.000 5.123 -0.579) 5.155 1.180 ( 0.000 7.237 -3.119) 7.881 1.223 ( 0.000 2.466 -2.294) 3.368 1.323 ( 0.000 5.224 2.198) 5.668 1.332 ( 0.000 9.742 1.456) 9.850 1.420 ( 0.000 18.402 10.281) 21.079 1.450 ( 0.000 3.783 7.488) 8.389 1.641 ( 0.000 0.435 0.896) 0.997 1.671 ( 0.000 1.628 -2.072) 2.635 1.786 ( 0.000 3.669 1.997) 4.177 1.788 ( 0.000 4.473 -3.634) 5.763 2.060 ( 0.000 11.260 -2.043) 11.444 2.070 ( 0.000 10.348 -0.309) 10.353 2.155 ( 0.000 4.747 -1.798) 5.077 2.204 ( 0.000 9.130 -4.285) 10.085 2.306 ( 0.000 4.856 2.820) 5.615 2.376 ( 0.000 1.420 0.622) 1.551 2.389 ( 0.000 5.033 -0.368) 5.047 2.402 ( 0.000 4.992 3.236) 5.949 2.435 ( 0.000 1.303 2.587) 2.896 2.470 ( 0.000 -1.662 -0.616) 1.773 2.494 ( 0.000 2.514 -1.570) 2.964 2.507 ( 0.000 -1.059 0.312) 1.104 2.533 ( 0.000 1.860 -0.503) 1.926 2.635 ( 0.000 -2.165 1.399) 2.578 2.663 ( 0.000 -1.561 -0.600) 1.672 2.752 ( 0.000 -1.867 -1.626) 2.475 3.477 ( 0.000 -1.514 1.504) 2.134 3.543 ( 0.000 -4.220 -1.334) 4.426 3.858 ( 0.000 -1.097 1.022) 1.499 3.903 ( 0.000 1.015 -0.830) 1.311 3.922 ( 0.000 6.615 2.583) 7.101 4.006 ( 0.000 7.400 -1.268) 7.508 4.070 ( 0.000 4.906 -0.069) 4.907 4.097 ( 0.000 6.134 -0.804) 6.186 4.119 ( 0.000 5.524 1.581) 5.746 4.137 ( 0.000 2.480 0.455) 2.522 4.217 ( 0.000 7.758 0.531) 7.777 4.236 ( 0.000 4.368 0.026) 4.368 4.259 ( 0.000 1.750 -0.507) 1.822 4.388 ( 0.000 -0.480 -6.803) 6.820 4.462 ( 0.000 -2.996 0.144) 2.999 4.497 ( 0.000 -1.397 -0.618) 1.527 4.559 ( 0.000 -5.591 4.685) 7.294 4.720 ( 0.000 4.722 0.311) 4.732 4.720 ( 0.000 0.944 -2.723) 2.882 4.753 ( 0.000 2.733 -1.044) 2.926 4.837 ( 0.000 0.238 0.499) 0.553 4.864 ( 0.000 -2.106 -0.891) 2.287 4.892 ( 0.000 0.107 0.428) 0.442 4.910 ( 0.000 1.201 -0.776) 1.430 4.993 ( 0.000 0.960 0.653) 1.161 4.997 ( 0.000 -1.799 0.227) 1.813 5.043 ( 0.000 -0.861 1.007) 1.325 5.146 ( 0.000 -4.547 -4.539) 6.425 5.242 ( 0.000 -1.186 1.173) 1.668 5.254 ( 0.000 -1.167 0.729) 1.376 5.319 ( 0.000 -0.092 -0.590) 0.597 5.357 ( 0.000 0.617 -3.174) 3.233 5.450 ( 0.000 -0.991 0.256) 1.023 5.454 ( 0.000 -1.947 -0.080) 1.948 5.598 ( 0.000 -1.655 1.458) 2.206 5.641 ( 0.000 -3.364 0.423) 3.390 5.788 ( 0.000 -2.843 3.933) 4.853 5.862 ( 0.000 -7.144 -0.368) 7.154 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 2.026 16.329 -2.485) 16.641 0.736 ( 0.874 10.980 1.514) 11.119 0.884 ( 0.402 4.652 -4.914) 6.779 0.887 ( 1.638 4.976 -3.393) 6.241 1.025 ( 0.994 1.049 -1.636) 2.182 1.044 ( 1.300 0.625 -1.997) 2.464 1.115 ( 1.748 7.102 0.679) 7.345 1.162 ( 0.459 6.691 1.012) 6.783 1.194 ( 2.586 4.983 -1.926) 5.935 1.304 ( 5.346 2.526 -3.328) 6.785 1.359 ( 0.633 5.006 3.155) 5.951 1.398 ( 5.097 7.718 0.823) 9.286 1.459 ( 5.034 3.713 4.298) 7.590 1.510 ( 10.142 13.770 6.126) 18.166 1.628 ( -1.241 1.368 -0.037) 1.847 1.703 ( 2.525 1.740 -1.914) 3.615 1.733 ( -3.391 6.305 -0.285) 7.165 1.812 ( 4.621 4.812 1.207) 6.780 2.043 ( -1.357 10.910 -1.694) 11.123 2.069 ( -0.026 9.891 -0.880) 9.930 2.165 ( 0.560 5.341 0.059) 5.371 2.188 ( -0.889 8.959 -3.400) 9.624 2.318 ( 1.204 5.269 0.315) 5.414 2.351 ( -2.376 3.034 1.347) 4.082 2.362 ( -1.344 2.446 0.132) 2.794 2.392 ( -1.935 4.574 2.572) 5.593 2.427 ( -0.162 2.707 0.277) 2.726 2.489 ( -0.838 -0.240 -1.577) 1.802 2.512 ( 1.436 3.006 0.485) 3.366 2.542 ( 1.682 2.031 -0.110) 2.639 2.560 ( 5.012 -2.946 0.214) 5.818 2.648 ( 1.531 -0.685 2.912) 3.361 2.685 ( 1.904 -3.274 -2.492) 4.534 2.745 ( -0.344 -1.656 -0.944) 1.937 3.332 ( -14.091 -1.425 1.482) 14.241 3.397 ( -14.044 -4.031 -1.306) 14.670 3.874 ( 1.208 0.716 0.936) 1.688 3.903 ( -0.614 4.891 1.004) 5.031 3.921 ( 0.718 1.749 0.727) 2.026 3.995 ( -1.034 6.600 -1.248) 6.796 4.058 ( -1.013 5.207 -0.004) 5.304 4.082 ( -1.928 5.461 1.004) 5.878 4.088 ( -0.730 5.814 -0.977) 5.941 4.123 ( -2.134 3.593 -0.627) 4.226 4.243 ( 2.510 5.578 0.226) 6.120 4.275 ( 2.903 3.892 0.250) 4.862 4.288 ( 2.851 2.537 0.164) 3.820 4.400 ( 0.604 -1.265 -4.135) 4.366 4.453 ( -0.992 -2.252 0.127) 2.464 4.489 ( -0.511 -1.646 -0.816) 1.907 4.540 ( -1.451 -4.784 3.916) 6.350 4.688 ( -3.464 0.472 -2.704) 4.420 4.726 ( 0.568 4.477 0.348) 4.526 4.750 ( 0.406 2.211 -0.592) 2.324 4.833 ( -0.405 2.383 0.216) 2.426 4.852 ( -1.362 -0.410 -0.474) 1.499 4.878 ( -1.907 1.127 0.470) 2.264 4.897 ( -3.841 -0.272 -0.136) 3.853 4.912 ( -0.731 0.610 0.265) 0.989 4.936 ( -2.325 -0.138 0.012) 2.329 5.137 ( 3.428 -0.911 0.748) 3.625 5.177 ( 0.550 -2.643 -1.182) 2.947 5.257 ( 3.743 -1.826 1.984) 4.613 5.326 ( 0.963 -0.694 -1.165) 1.663 5.347 ( 4.648 -2.981 -0.817) 5.582 5.383 ( 3.650 -0.344 -4.208) 5.581 5.478 ( 2.445 -2.301 0.239) 3.366 5.487 ( 3.114 -2.235 -0.306) 3.845 5.606 ( 0.770 -1.838 1.558) 2.529 5.650 ( 0.784 -4.121 0.733) 4.258 5.771 ( -1.412 -2.108 2.900) 3.853 5.838 ( -2.384 -6.303 -0.498) 6.757 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.230 11.039 -0.152) 11.042 0.719 ( -1.278 11.297 -0.698) 11.391 0.881 ( 0.349 4.876 -3.376) 5.941 0.894 ( -0.568 5.689 -2.187) 6.122 1.047 ( 1.599 3.622 -0.381) 3.977 1.068 ( 0.197 3.191 -1.019) 3.355 1.153 ( 1.249 7.369 0.020) 7.474 1.177 ( -0.489 4.819 -0.328) 4.855 1.221 ( 2.981 5.402 4.208) 7.468 1.301 ( -4.355 4.098 5.007) 7.800 1.394 ( 4.114 3.628 -3.174) 6.337 1.448 ( -0.578 5.303 -2.250) 5.789 1.589 ( 2.396 3.339 -0.465) 4.136 1.593 ( 0.324 5.183 -0.899) 5.271 1.630 ( 1.525 0.170 1.081) 1.877 1.694 ( -2.603 2.755 -1.381) 4.034 1.861 ( 12.085 13.888 3.990) 18.838 1.996 ( -1.061 11.613 -0.335) 11.666 2.030 ( 8.961 5.580 -1.241) 10.629 2.078 ( 1.115 8.470 -2.594) 8.928 2.175 ( 3.519 7.195 1.829) 8.216 2.225 ( 4.600 2.573 -0.085) 5.271 2.309 ( -3.487 0.770 1.430) 3.847 2.320 ( -0.705 5.344 1.680) 5.646 2.330 ( -2.036 6.538 0.714) 6.885 2.378 ( -1.904 3.148 -1.928) 4.153 2.391 ( -0.726 3.250 -1.237) 3.552 2.447 ( -3.144 5.500 -2.020) 6.649 2.542 ( 1.772 2.294 2.758) 4.002 2.567 ( -0.202 0.125 1.315) 1.336 2.636 ( 3.176 -0.676 0.077) 3.248 2.687 ( -1.816 -1.438 -1.757) 2.908 2.744 ( 8.960 -1.715 1.103) 9.189 2.804 ( 8.033 -4.128 -1.188) 9.109 3.004 ( -17.451 -1.665 1.367) 17.583 3.069 ( -17.834 -4.238 -1.376) 18.383 3.887 ( 0.122 4.469 1.034) 4.589 3.890 ( -0.421 5.499 1.318) 5.671 3.946 ( 1.510 1.129 -0.272) 1.905 3.972 ( -1.231 4.201 -0.956) 4.481 4.044 ( -0.084 4.758 0.236) 4.765 4.055 ( -1.024 4.321 0.321) 4.452 4.079 ( -0.146 5.706 -1.004) 5.795 4.087 ( -1.129 4.964 -0.888) 5.168 4.294 ( 2.460 4.032 0.147) 4.726 4.319 ( 0.675 3.624 0.502) 3.721 4.344 ( 2.787 1.320 -0.593) 3.140 4.393 ( -1.689 -0.298 -1.883) 2.546 4.437 ( 0.422 -2.155 1.628) 2.734 4.469 ( -1.931 -3.146 2.108) 4.250 4.543 ( 2.249 -2.136 -0.497) 3.141 4.609 ( -4.192 -0.756 -1.572) 4.540 4.747 ( 1.703 4.125 0.434) 4.484 4.768 ( 1.167 2.461 -0.754) 2.826 4.799 ( -2.599 3.049 0.682) 4.064 4.814 ( -2.168 2.827 -0.430) 3.589 4.849 ( -0.503 0.034 -0.291) 0.582 4.853 ( -0.707 1.176 -0.561) 1.482 4.913 ( 0.210 -0.563 0.557) 0.819 4.918 ( -0.298 -0.646 0.553) 0.901 5.162 ( 0.424 -0.584 0.454) 0.853 5.171 ( -0.576 -1.401 0.064) 1.516 5.324 ( 1.283 -0.672 -0.649) 1.588 5.333 ( -0.035 -0.464 -1.269) 1.352 5.422 ( 4.722 -2.608 0.268) 5.401 5.464 ( 1.514 -2.479 -1.405) 3.227 5.524 ( 2.008 -4.249 -0.806) 4.768 5.538 ( 1.229 -3.805 -1.313) 4.209 5.628 ( 1.528 -2.748 2.138) 3.803 5.655 ( -0.710 -4.647 1.791) 5.030 5.754 ( 0.271 -1.741 0.467) 1.823 5.785 ( -2.607 -4.110 -0.526) 4.896 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.000 8.390 1.582) 8.537 0.954 ( 0.000 6.699 -0.917) 6.761 0.976 ( 0.000 1.781 -1.445) 2.293 0.988 ( 0.000 6.307 -4.014) 7.476 1.070 ( 0.000 5.276 -3.630) 6.404 1.072 ( 0.000 13.142 -2.387) 13.357 1.215 ( 0.000 2.992 -0.866) 3.115 1.232 ( 0.000 3.931 0.338) 3.945 1.249 ( 0.000 4.806 -1.584) 5.060 1.251 ( 0.000 5.182 0.493) 5.206 1.450 ( 0.000 -2.506 9.421) 9.748 1.472 ( 0.000 6.534 2.411) 6.965 1.559 ( 0.000 1.545 0.674) 1.686 1.562 ( 0.000 9.443 -0.576) 9.461 1.747 ( 0.000 5.610 -2.827) 6.282 1.768 ( 0.000 6.611 1.051) 6.694 1.850 ( 0.000 3.417 1.869) 3.895 1.879 ( 0.000 4.515 -2.013) 4.943 2.213 ( 0.000 0.171 -0.732) 0.752 2.246 ( 0.000 5.064 -1.486) 5.277 2.290 ( 0.000 2.584 2.027) 3.284 2.317 ( 0.000 10.184 1.493) 10.293 2.356 ( 0.000 -1.232 -0.553) 1.351 2.414 ( 0.000 0.574 1.544) 1.647 2.415 ( 0.000 0.701 -2.290) 2.395 2.464 ( 0.000 3.135 1.390) 3.429 2.471 ( 0.000 0.911 0.803) 1.214 2.516 ( 0.000 11.800 -1.193) 11.861 2.539 ( 0.000 6.057 -0.813) 6.112 2.557 ( 0.000 -0.637 -0.814) 1.034 2.635 ( 0.000 7.266 -0.087) 7.267 2.647 ( 0.000 6.410 -0.513) 6.430 2.723 ( 0.000 -0.083 0.401) 0.410 2.733 ( 0.000 8.185 0.128) 8.186 3.446 ( 0.000 -1.669 0.252) 1.688 3.461 ( 0.000 -4.027 -0.353) 4.042 3.862 ( 0.000 1.801 1.479) 2.330 3.939 ( 0.000 2.749 -1.909) 3.346 4.025 ( 0.000 3.549 3.917) 5.286 4.105 ( 0.000 2.578 0.816) 2.705 4.142 ( 0.000 2.764 -0.786) 2.873 4.169 ( 0.000 1.436 -0.736) 1.613 4.189 ( 0.000 2.352 0.007) 2.352 4.212 ( 0.000 5.716 -1.896) 6.022 4.300 ( 0.000 -6.983 -1.418) 7.126 4.303 ( 0.000 0.528 -0.733) 0.904 4.321 ( 0.000 1.396 -0.911) 1.667 4.353 ( 0.000 5.289 -1.276) 5.441 4.389 ( 0.000 -4.917 1.963) 5.294 4.443 ( 0.000 -3.305 -0.016) 3.305 4.457 ( 0.000 -0.496 6.167) 6.187 4.726 ( 0.000 -0.156 -4.300) 4.303 4.777 ( 0.000 -1.126 -1.433) 1.823 4.792 ( 0.000 2.824 -0.650) 2.898 4.844 ( 0.000 2.151 0.186) 2.160 4.868 ( 0.000 2.307 -0.255) 2.321 4.929 ( 0.000 2.184 0.794) 2.324 4.952 ( 0.000 1.761 -1.194) 2.127 4.976 ( 0.000 -0.097 1.317) 1.321 5.012 ( 0.000 0.701 0.593) 0.918 5.036 ( 0.000 1.548 -0.686) 1.693 5.079 ( 0.000 -2.317 -3.546) 4.236 5.222 ( 0.000 -1.675 1.714) 2.396 5.228 ( 0.000 -0.061 0.434) 0.438 5.313 ( 0.000 -0.826 1.231) 1.483 5.362 ( 0.000 -0.279 -1.696) 1.719 5.411 ( 0.000 -2.480 0.494) 2.528 5.422 ( 0.000 -2.063 0.641) 2.161 5.578 ( 0.000 -0.301 0.481) 0.567 5.595 ( 0.000 -1.179 -0.085) 1.182 5.745 ( 0.000 -4.710 0.482) 4.734 5.751 ( 0.000 -1.256 0.379) 1.312 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.265 7.651 1.201) 7.749 0.959 ( -1.192 4.626 -1.446) 4.991 0.969 ( 0.498 5.587 -1.473) 5.799 1.008 ( 0.544 5.333 -1.405) 5.542 1.081 ( 2.370 6.603 -2.115) 7.328 1.102 ( 1.961 7.908 -2.639) 8.564 1.225 ( 0.230 3.710 0.039) 3.718 1.231 ( 0.921 1.639 -0.510) 1.948 1.293 ( 3.762 6.513 0.907) 7.576 1.358 ( 4.947 5.204 -0.747) 7.219 1.445 ( 0.371 -0.006 6.191) 6.202 1.516 ( 4.200 5.858 3.300) 7.927 1.559 ( 1.558 1.641 -0.345) 2.289 1.620 ( 5.436 7.772 -0.627) 9.505 1.750 ( -1.888 5.052 -2.251) 5.844 1.775 ( 1.369 4.574 -3.054) 5.668 1.875 ( 4.518 5.161 2.215) 7.208 1.905 ( 5.678 5.973 1.086) 8.312 2.193 ( -1.099 2.146 -0.579) 2.479 2.239 ( -1.010 4.841 -2.021) 5.342 2.280 ( -1.017 3.668 1.855) 4.234 2.321 ( -1.393 0.499 0.062) 1.481 2.365 ( -1.445 -1.122 1.342) 2.268 2.383 ( 1.605 7.680 -0.059) 7.846 2.430 ( 0.425 7.634 -1.367) 7.767 2.439 ( -0.035 -0.151 -0.809) 0.824 2.519 ( 0.646 6.095 0.873) 6.191 2.530 ( 3.226 2.837 0.440) 4.318 2.559 ( 1.922 5.849 0.554) 6.182 2.594 ( 2.929 0.907 -0.903) 3.196 2.630 ( -0.142 6.064 -0.332) 6.075 2.642 ( -0.377 5.923 -0.477) 5.954 2.721 ( -0.183 0.307 0.677) 0.766 2.733 ( 0.086 7.609 0.149) 7.611 3.303 ( -14.002 -1.769 0.424) 14.120 3.322 ( -13.621 -3.437 -0.367) 14.053 3.887 ( 2.464 1.528 1.287) 3.172 3.949 ( 0.945 2.689 -1.444) 3.195 4.000 ( -1.706 3.448 3.349) 5.101 4.088 ( -2.198 2.930 0.394) 3.684 4.126 ( -1.352 1.367 -0.305) 1.947 4.134 ( -2.611 0.639 -0.104) 2.690 4.174 ( -1.246 1.973 -0.951) 2.520 4.200 ( -1.239 4.534 -2.178) 5.180 4.309 ( 1.741 -1.800 -0.497) 2.553 4.321 ( 1.330 -0.960 -1.063) 1.955 4.354 ( 1.590 -0.963 -0.298) 1.882 4.369 ( 1.417 4.055 -0.798) 4.369 4.404 ( 1.619 -1.923 1.295) 2.828 4.444 ( 0.285 -1.817 0.031) 1.839 4.463 ( 0.504 -0.059 4.713) 4.740 4.691 ( -3.647 -0.399 -5.336) 6.475 4.767 ( -0.151 0.124 0.362) 0.412 4.795 ( 0.163 2.176 -0.487) 2.235 4.837 ( -0.695 0.505 1.146) 1.433 4.880 ( -0.368 1.601 -0.594) 1.747 4.898 ( -2.209 0.898 0.613) 2.462 4.916 ( -1.567 2.263 0.262) 2.765 4.953 ( -1.274 2.875 -0.361) 3.166 4.979 ( -1.115 3.939 -0.407) 4.113 5.111 ( 5.103 -1.440 0.256) 5.309 5.148 ( 2.037 -0.493 -1.428) 2.536 5.226 ( 1.524 -0.942 1.344) 2.240 5.268 ( 4.237 -3.357 -0.674) 5.447 5.327 ( 1.073 -0.926 1.382) 1.980 5.380 ( 1.323 -0.615 -1.650) 2.203 5.431 ( 1.686 -2.346 0.437) 2.922 5.444 ( 2.226 -2.266 0.006) 3.177 5.581 ( 0.272 -0.583 0.514) 0.824 5.596 ( 0.030 -1.393 0.129) 1.399 5.736 ( -0.781 -3.887 0.336) 3.979 5.742 ( -0.825 -1.136 0.198) 1.418 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.017 8.349 0.542) 8.367 0.924 ( -1.804 7.395 -0.534) 7.630 0.984 ( 0.995 4.786 -0.266) 4.895 1.003 ( -0.845 4.658 0.079) 4.735 1.129 ( 1.731 5.359 -0.661) 5.670 1.136 ( 1.131 4.895 -2.096) 5.444 1.236 ( 0.598 2.583 0.310) 2.669 1.241 ( 0.122 1.984 -0.114) 1.991 1.329 ( 1.316 5.349 2.498) 6.049 1.368 ( -2.012 4.297 3.485) 5.887 1.483 ( 2.783 4.341 -3.200) 6.068 1.528 ( -1.426 3.742 -2.097) 4.520 1.639 ( 2.939 2.972 3.332) 5.345 1.685 ( -2.211 4.265 0.978) 4.903 1.724 ( 3.164 6.004 -1.726) 7.003 1.773 ( -1.467 4.998 -2.614) 5.828 2.083 ( 11.918 6.315 1.174) 13.539 2.113 ( 11.651 4.872 -0.059) 12.629 2.189 ( -0.043 5.206 -1.119) 5.325 2.219 ( 0.666 4.490 -1.502) 4.781 2.254 ( -1.008 1.619 1.519) 2.438 2.292 ( 0.032 -1.002 -0.718) 1.233 2.320 ( -3.992 0.787 0.262) 4.077 2.364 ( -3.972 2.379 -0.175) 4.633 2.455 ( 1.839 9.049 -0.127) 9.235 2.484 ( 1.682 7.713 -0.433) 7.906 2.519 ( 1.415 9.802 1.275) 9.985 2.564 ( -0.769 7.818 -0.721) 7.889 2.614 ( 2.085 3.338 0.751) 4.007 2.628 ( 0.255 4.005 -0.304) 4.024 2.656 ( 4.000 3.323 0.203) 5.204 2.675 ( 3.523 1.078 -0.783) 3.766 2.733 ( 3.749 -1.605 1.476) 4.337 2.751 ( 3.766 3.643 0.202) 5.243 2.972 ( -18.115 -2.128 0.805) 18.257 2.995 ( -18.217 -2.979 -0.135) 18.460 3.947 ( 3.168 1.503 0.673) 3.570 3.966 ( 0.525 2.407 -0.037) 2.464 3.980 ( -0.003 3.861 2.071) 4.381 4.029 ( -3.601 2.288 0.421) 4.287 4.094 ( -0.887 -0.044 0.005) 0.888 4.100 ( -1.217 -0.059 -0.224) 1.239 4.161 ( 0.008 2.444 -1.503) 2.869 4.174 ( -1.219 3.026 -1.949) 3.800 4.342 ( 1.095 -1.921 -0.133) 2.215 4.347 ( 1.065 -0.601 -0.558) 1.344 4.368 ( 0.585 -0.631 0.333) 0.923 4.386 ( -0.335 1.749 -0.575) 1.872 4.428 ( 1.137 1.620 1.463) 2.461 4.449 ( -0.567 2.510 1.903) 3.200 4.505 ( 4.401 -0.688 -0.922) 4.549 4.602 ( -5.176 -0.080 -3.684) 6.354 4.776 ( 1.056 -0.411 1.005) 1.514 4.802 ( -0.079 0.328 0.334) 0.475 4.811 ( -0.914 0.439 1.143) 1.528 4.837 ( -2.189 1.178 0.166) 2.491 4.890 ( -0.006 2.536 0.311) 2.555 4.898 ( -0.620 2.792 0.584) 2.919 4.948 ( 0.784 3.667 -1.009) 3.883 4.966 ( -0.774 4.282 -0.940) 4.452 5.155 ( 0.429 -0.136 0.169) 0.481 5.161 ( -0.054 0.403 0.121) 0.425 5.287 ( 2.882 -2.727 0.867) 4.061 5.311 ( -0.068 -2.222 -0.031) 2.223 5.380 ( 3.980 -1.857 0.449) 4.414 5.424 ( 2.366 -1.660 -1.404) 3.214 5.447 ( 0.049 -3.263 0.064) 3.264 5.474 ( -0.044 -2.851 -1.056) 3.040 5.587 ( 0.362 -1.171 0.673) 1.398 5.594 ( -0.299 -1.628 0.575) 1.752 5.723 ( -0.306 -2.203 0.042) 2.225 5.727 ( -0.601 -1.176 -0.063) 1.322 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.000 -1.319 -0.047) 1.320 0.979 ( 0.000 0.587 -0.625) 0.858 1.022 ( 0.000 1.101 0.840) 1.385 1.059 ( 0.000 1.326 -0.948) 1.630 1.219 ( 0.000 5.020 0.771) 5.079 1.259 ( 0.000 3.493 0.667) 3.556 1.271 ( 0.000 2.810 -1.089) 3.014 1.304 ( 0.000 4.456 0.009) 4.456 1.376 ( 0.000 6.960 0.565) 6.983 1.378 ( 0.000 3.942 4.016) 5.628 1.415 ( 0.000 4.027 3.277) 5.192 1.566 ( 0.000 6.040 -1.378) 6.195 1.625 ( 0.000 4.268 1.385) 4.487 1.679 ( 0.000 3.125 -2.110) 3.771 1.819 ( 0.000 0.288 -1.228) 1.261 1.860 ( 0.000 5.541 -2.897) 6.253 1.918 ( 0.000 3.352 -0.013) 3.352 1.943 ( 0.000 2.262 -2.254) 3.193 2.127 ( 0.000 -6.252 0.318) 6.260 2.163 ( 0.000 -9.194 -1.264) 9.281 2.297 ( 0.000 -1.879 2.251) 2.932 2.330 ( 0.000 -0.413 0.378) 0.560 2.364 ( 0.000 -2.214 1.679) 2.779 2.408 ( 0.000 -1.253 -0.849) 1.514 2.477 ( 0.000 -1.204 0.133) 1.212 2.483 ( 0.000 -0.730 -0.295) 0.787 2.621 ( 0.000 11.183 2.043) 11.368 2.662 ( 0.000 4.899 0.919) 4.984 2.687 ( 0.000 12.998 0.609) 13.012 2.707 ( 0.000 7.382 -0.431) 7.395 2.756 ( 0.000 8.068 -1.042) 8.135 2.770 ( 0.000 5.524 -0.944) 5.604 2.883 ( 0.000 13.562 1.319) 13.626 2.933 ( 0.000 12.030 -0.922) 12.065 3.395 ( 0.000 -2.680 0.328) 2.700 3.413 ( 0.000 -1.665 -0.446) 1.723 3.923 ( 0.000 4.068 1.338) 4.282 3.999 ( 0.000 2.520 -2.397) 3.478 4.043 ( 0.000 -2.161 2.140) 3.041 4.087 ( 0.000 -5.300 0.824) 5.364 4.179 ( 0.000 0.237 -0.187) 0.302 4.183 ( 0.000 0.759 -0.431) 0.873 4.199 ( 0.000 -0.527 0.204) 0.565 4.212 ( 0.000 -1.371 -0.470) 1.449 4.227 ( 0.000 -0.519 0.413) 0.663 4.299 ( 0.000 -1.228 1.304) 1.791 4.304 ( 0.000 3.310 -2.792) 4.330 4.369 ( 0.000 -1.352 -1.902) 2.334 4.406 ( 0.000 3.538 1.189) 3.732 4.464 ( 0.000 3.529 -1.330) 3.772 4.502 ( 0.000 2.375 3.029) 3.849 4.697 ( 0.000 -2.773 -4.196) 5.029 4.781 ( 0.000 1.745 1.465) 2.279 4.837 ( 0.000 1.894 -0.979) 2.132 4.897 ( 0.000 2.454 -1.603) 2.931 4.907 ( 0.000 1.666 0.442) 1.723 4.929 ( 0.000 -1.020 -0.046) 1.021 4.946 ( 0.000 -1.042 -1.625) 1.930 5.002 ( 0.000 1.043 1.389) 1.737 5.050 ( 0.000 1.628 -0.310) 1.657 5.065 ( 0.000 0.981 0.137) 0.990 5.072 ( 0.000 1.875 -0.761) 2.023 5.194 ( 0.000 -1.278 1.762) 2.177 5.239 ( 0.000 0.687 -0.823) 1.072 5.283 ( 0.000 -2.046 2.648) 3.346 5.342 ( 0.000 -2.065 -0.365) 2.096 5.370 ( 0.000 -1.531 0.558) 1.629 5.381 ( 0.000 -1.565 0.291) 1.592 5.587 ( 0.000 1.131 0.225) 1.153 5.590 ( 0.000 0.438 0.026) 0.439 5.681 ( 0.000 -2.063 0.757) 2.198 5.731 ( 0.000 -0.962 -1.203) 1.540 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.559 -0.807 0.094) 0.986 0.987 ( 0.530 0.515 -0.559) 0.927 1.030 ( 0.494 0.745 0.765) 1.176 1.061 ( -0.124 0.748 -0.479) 0.897 1.222 ( 0.216 4.120 0.221) 4.132 1.248 ( -0.859 3.030 0.063) 3.150 1.275 ( 0.003 2.352 -0.165) 2.358 1.290 ( -0.848 3.144 -0.190) 3.262 1.391 ( 1.362 4.084 4.785) 6.436 1.448 ( 3.127 4.904 3.268) 6.671 1.511 ( 6.912 7.876 -2.083) 10.684 1.604 ( 4.369 4.902 -0.738) 6.608 1.625 ( 0.657 4.506 1.628) 4.836 1.737 ( 5.525 3.876 -2.656) 7.253 1.797 ( -2.176 1.001 -1.272) 2.712 1.869 ( 0.531 4.646 -3.472) 5.824 1.951 ( 5.023 3.066 1.200) 6.006 1.985 ( 6.539 2.551 -0.697) 7.053 2.145 ( 1.493 -5.181 -0.264) 5.398 2.173 ( 1.365 -7.510 -1.329) 7.748 2.277 ( -1.921 -2.271 1.443) 3.306 2.310 ( -3.613 -2.230 0.169) 4.249 2.342 ( -0.061 -0.761 1.458) 1.646 2.416 ( -0.493 -1.744 -1.995) 2.696 2.480 ( 2.043 -0.572 1.393) 2.538 2.504 ( 2.171 -1.523 0.137) 2.655 2.647 ( 1.814 9.139 2.114) 9.554 2.676 ( 1.323 7.257 0.956) 7.439 2.688 ( 0.059 8.982 0.682) 9.008 2.712 ( 0.608 8.910 -0.225) 8.933 2.767 ( 0.350 5.580 -0.786) 5.646 2.775 ( 1.254 9.622 -1.242) 9.783 2.865 ( -1.706 12.670 1.527) 12.875 2.924 ( -0.903 11.896 -1.157) 11.986 3.257 ( -13.636 -2.302 0.335) 13.833 3.278 ( -13.158 -1.459 -0.583) 13.251 3.937 ( 1.406 3.332 1.189) 3.807 4.002 ( 0.223 1.529 -2.104) 2.611 4.033 ( -0.598 -1.183 2.216) 2.582 4.074 ( -1.083 -3.578 0.905) 3.846 4.120 ( -2.772 -0.379 0.007) 2.798 4.142 ( -3.759 0.406 1.119) 3.943 4.188 ( -0.630 0.900 -1.903) 2.197 4.217 ( -1.171 -0.065 -0.864) 1.457 4.270 ( 3.665 -1.081 -0.186) 3.825 4.319 ( 1.675 2.001 -1.912) 3.235 4.331 ( 1.578 -0.406 1.000) 1.911 4.381 ( 0.825 -0.876 -1.062) 1.605 4.430 ( 2.084 2.708 1.052) 3.575 4.476 ( 1.357 3.003 -1.020) 3.450 4.508 ( 0.559 2.437 2.032) 3.222 4.667 ( -2.881 -2.102 -4.297) 5.584 4.776 ( -0.317 1.254 1.676) 2.117 4.829 ( -0.891 1.482 -0.589) 1.826 4.856 ( -2.309 0.682 0.572) 2.475 4.891 ( -1.975 0.477 0.110) 2.034 4.928 ( 0.142 1.363 0.140) 1.377 4.947 ( 0.297 1.176 -1.553) 1.971 5.012 ( -0.737 2.811 0.472) 2.944 5.047 ( 0.331 2.150 -0.740) 2.298 5.096 ( 4.599 0.334 1.246) 4.776 5.144 ( 3.029 -0.233 -1.299) 3.304 5.205 ( 2.712 -2.081 0.706) 3.491 5.234 ( -0.358 0.263 -0.622) 0.764 5.293 ( 0.831 -2.293 2.811) 3.722 5.350 ( 0.789 -2.374 -0.203) 2.510 5.400 ( 2.133 -0.892 0.192) 2.320 5.406 ( 2.204 -1.486 0.017) 2.658 5.586 ( -0.088 0.920 0.248) 0.957 5.590 ( -0.077 0.580 0.177) 0.612 5.684 ( 0.259 -1.722 0.473) 1.805 5.724 ( -0.676 -0.877 -1.100) 1.561 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.786 0.400 0.313) 0.936 0.993 ( 0.027 1.103 -0.029) 1.104 1.037 ( 0.411 0.511 0.331) 0.734 1.050 ( -0.855 0.338 -0.102) 0.925 1.224 ( 0.029 2.795 0.070) 2.796 1.231 ( -0.781 2.968 0.143) 3.073 1.271 ( 0.083 0.714 0.243) 0.758 1.279 ( -0.514 1.172 -0.339) 1.324 1.427 ( 2.335 6.114 3.512) 7.428 1.465 ( -1.070 5.672 2.579) 6.322 1.581 ( 2.071 5.694 -3.379) 6.938 1.610 ( -0.944 4.492 -2.687) 5.319 1.706 ( 2.752 4.035 3.179) 5.827 1.746 ( -2.224 2.843 1.924) 4.090 1.827 ( 2.865 4.472 -2.607) 5.917 1.864 ( -1.079 4.080 -3.049) 5.207 2.127 ( 8.507 -1.633 0.460) 8.675 2.161 ( 4.293 -2.071 -1.100) 4.891 2.222 ( 0.831 -3.005 -0.377) 3.141 2.226 ( 2.597 0.428 -0.473) 2.674 2.235 ( 1.188 -2.231 0.213) 2.536 2.238 ( 4.854 -1.819 -0.082) 5.184 2.328 ( -2.135 0.580 1.116) 2.478 2.377 ( -3.698 0.048 -1.062) 3.848 2.583 ( 9.226 -1.544 0.575) 9.372 2.605 ( 9.834 -2.451 0.051) 10.135 2.672 ( 0.987 6.591 1.688) 6.875 2.678 ( -0.398 7.179 0.999) 7.259 2.712 ( 0.892 8.130 0.810) 8.219 2.729 ( 1.175 8.887 -0.159) 8.966 2.774 ( 0.628 7.684 0.176) 7.712 2.795 ( -0.788 9.727 -0.323) 9.764 2.829 ( -1.998 9.584 1.369) 9.885 2.897 ( -2.718 9.570 -1.535) 10.066 2.924 ( -18.021 -0.799 0.688) 18.051 2.972 ( -14.944 1.554 -1.218) 15.074 3.971 ( 1.899 1.192 0.543) 2.307 3.999 ( -0.781 -0.327 -0.949) 1.272 4.035 ( 0.937 -0.523 1.742) 2.047 4.058 ( -0.423 -1.959 0.251) 2.020 4.075 ( -2.064 1.987 1.428) 3.201 4.081 ( -2.000 1.556 0.831) 2.667 4.183 ( 0.215 1.019 -2.359) 2.579 4.195 ( -0.974 0.876 -1.934) 2.336 4.320 ( 1.455 -0.358 0.164) 1.507 4.337 ( -0.385 0.217 0.459) 0.637 4.361 ( 2.112 -0.037 -0.476) 2.166 4.388 ( -0.428 -0.332 -0.619) 0.823 4.475 ( 2.300 2.035 0.526) 3.116 4.501 ( 0.027 1.975 0.042) 1.975 4.529 ( 2.538 2.006 -0.739) 3.319 4.598 ( -4.007 -0.560 -3.239) 5.183 4.776 ( 0.464 0.527 2.005) 2.124 4.797 ( -1.756 0.239 1.770) 2.505 4.838 ( 0.185 1.314 -0.252) 1.350 4.856 ( -1.557 0.880 -0.191) 1.798 4.930 ( 0.501 1.658 0.560) 1.821 4.945 ( -0.781 1.965 0.595) 2.197 5.014 ( 1.149 2.772 -1.370) 3.299 5.039 ( -1.080 2.908 -1.569) 3.477 5.162 ( 1.116 0.709 0.595) 1.450 5.171 ( 0.632 0.210 0.485) 0.824 5.240 ( 1.376 -1.911 0.340) 2.379 5.255 ( 0.311 -3.147 0.020) 3.162 5.346 ( 4.525 -1.542 1.058) 4.896 5.384 ( 2.843 -2.208 -0.485) 3.632 5.412 ( -1.341 -0.910 0.394) 1.667 5.430 ( -0.592 -1.773 -0.364) 1.905 5.585 ( 0.014 0.759 0.377) 0.847 5.587 ( -0.188 0.687 0.386) 0.810 5.693 ( 0.711 -1.103 -0.181) 1.325 5.709 ( -0.866 -0.828 -0.772) 1.426 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 -1.243 -0.099) 1.247 0.953 ( 0.000 -2.416 -0.860) 2.565 1.013 ( 0.000 -1.792 0.972) 2.039 1.045 ( 0.000 -2.478 0.111) 2.480 1.212 ( 0.000 -2.995 1.219) 3.234 1.266 ( 0.000 -1.413 1.836) 2.316 1.274 ( 0.000 -1.906 -0.347) 1.938 1.291 ( 0.000 -4.196 -0.473) 4.222 1.498 ( 0.000 5.533 1.055) 5.633 1.518 ( 0.000 8.038 1.709) 8.217 1.542 ( 0.000 6.098 -0.470) 6.116 1.679 ( 0.000 0.544 -4.233) 4.268 1.717 ( 0.000 2.289 -1.327) 2.646 1.722 ( 0.000 8.164 -0.695) 8.194 1.828 ( 0.000 1.774 2.329) 2.927 1.942 ( 0.000 2.302 -2.733) 3.573 1.971 ( 0.000 2.034 -0.329) 2.060 1.978 ( 0.000 0.868 -1.507) 1.739 2.016 ( 0.000 -4.276 0.075) 4.277 2.023 ( 0.000 -3.451 0.126) 3.454 2.232 ( 0.000 -5.014 4.492) 6.732 2.278 ( 0.000 -5.383 2.508) 5.939 2.333 ( 0.000 -0.133 1.050) 1.058 2.380 ( 0.000 -1.353 -1.287) 1.867 2.439 ( 0.000 -1.692 1.488) 2.253 2.459 ( 0.000 -1.400 0.103) 1.404 2.745 ( 0.000 4.067 0.428) 4.090 2.824 ( 0.000 6.926 -1.050) 7.006 2.833 ( 0.000 5.351 1.165) 5.476 2.856 ( 0.000 5.640 0.090) 5.641 2.872 ( 0.000 5.998 -0.604) 6.028 2.928 ( 0.000 8.206 -1.682) 8.377 3.105 ( 0.000 8.407 -0.218) 8.409 3.148 ( 0.000 8.144 -2.486) 8.515 3.363 ( 0.000 -0.500 1.434) 1.519 3.391 ( 0.000 -0.319 0.567) 0.651 3.944 ( 0.000 -4.710 0.335) 4.722 3.955 ( 0.000 -4.073 -0.129) 4.075 4.013 ( 0.000 3.774 1.492) 4.059 4.079 ( 0.000 2.180 -1.254) 2.514 4.198 ( 0.000 2.440 -0.124) 2.444 4.200 ( 0.000 1.468 0.070) 1.470 4.214 ( 0.000 1.726 -0.087) 1.728 4.218 ( 0.000 1.420 -0.508) 1.509 4.259 ( 0.000 1.765 1.543) 2.344 4.308 ( 0.000 2.092 1.306) 2.466 4.332 ( 0.000 0.391 -2.587) 2.616 4.381 ( 0.000 1.910 -1.257) 2.287 4.460 ( 0.000 2.021 0.923) 2.222 4.509 ( 0.000 1.131 -1.146) 1.610 4.528 ( 0.000 0.382 1.278) 1.334 4.630 ( 0.000 -4.143 -2.461) 4.819 4.824 ( 0.000 2.449 0.596) 2.520 4.866 ( 0.000 1.240 -1.153) 1.693 4.906 ( 0.000 -0.213 -1.660) 1.673 4.930 ( 0.000 0.050 -0.518) 0.520 4.939 ( 0.000 1.115 -0.544) 1.241 4.945 ( 0.000 1.711 -0.170) 1.719 5.005 ( 0.000 -0.323 0.854) 0.913 5.047 ( 0.000 -1.309 -1.287) 1.836 5.089 ( 0.000 0.732 3.018) 3.106 5.111 ( 0.000 1.475 0.581) 1.585 5.175 ( 0.000 -0.577 1.066) 1.212 5.214 ( 0.000 -2.741 2.155) 3.487 5.263 ( 0.000 -0.623 -1.172) 1.328 5.288 ( 0.000 -3.001 -0.234) 3.010 5.352 ( 0.000 -0.481 0.532) 0.717 5.364 ( 0.000 -0.583 -0.151) 0.602 5.605 ( 0.000 0.919 0.266) 0.957 5.614 ( 0.000 1.481 0.007) 1.481 5.657 ( 0.000 -0.669 0.703) 0.971 5.711 ( 0.000 -1.199 -1.387) 1.833 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 1.106 -1.151 -0.173) 1.605 0.961 ( 0.891 -2.252 -0.679) 2.515 1.016 ( 0.274 -1.841 0.808) 2.029 1.044 ( -0.356 -2.338 -0.002) 2.365 1.217 ( 0.439 -2.884 1.127) 3.127 1.251 ( -1.243 -1.318 0.934) 2.038 1.266 ( -0.998 -2.518 0.426) 2.742 1.281 ( -0.865 -3.347 -0.892) 3.571 1.530 ( 1.746 6.636 1.633) 7.054 1.565 ( 3.147 7.663 2.399) 8.624 1.649 ( 6.290 5.451 -1.230) 8.414 1.679 ( 0.045 1.335 -3.515) 3.760 1.732 ( 2.477 6.791 -0.041) 7.229 1.785 ( 6.560 1.522 -2.111) 7.057 1.829 ( 0.186 2.618 1.714) 3.134 1.934 ( -0.399 1.442 -2.931) 3.291 1.980 ( 1.733 0.148 0.316) 1.768 2.017 ( 3.602 -0.004 -1.464) 3.888 2.051 ( 5.357 -1.280 0.956) 5.590 2.070 ( 5.655 -3.206 -0.801) 6.550 2.203 ( -2.685 -5.116 3.763) 6.895 2.238 ( -3.566 -4.872 1.966) 6.350 2.337 ( 0.497 0.193 0.749) 0.919 2.382 ( 0.185 -1.330 -1.496) 2.010 2.449 ( 1.134 -2.028 1.441) 2.734 2.462 ( 0.584 -2.166 0.318) 2.266 2.744 ( 0.244 4.024 1.321) 4.243 2.817 ( -1.191 5.228 1.146) 5.483 2.835 ( 0.155 3.074 -1.831) 3.581 2.868 ( -0.372 5.182 -0.707) 5.243 2.885 ( 3.220 9.636 1.739) 10.308 2.960 ( 2.150 8.286 -1.390) 8.673 3.077 ( -3.061 7.682 -0.637) 8.294 3.125 ( -3.170 6.062 -3.497) 7.683 3.238 ( -11.924 0.945 1.804) 12.097 3.274 ( -10.404 1.935 0.688) 10.605 3.948 ( 0.556 -3.853 0.430) 3.917 3.962 ( 0.651 -3.475 -0.185) 3.540 4.011 ( -0.326 2.951 1.255) 3.223 4.061 ( -1.740 1.016 -0.853) 2.188 4.165 ( -1.306 3.753 1.142) 4.135 4.181 ( -1.696 3.746 0.692) 4.170 4.221 ( -0.027 2.256 -1.364) 2.637 4.232 ( 0.812 1.409 -0.951) 1.884 4.280 ( 2.169 1.072 1.011) 2.622 4.327 ( 1.182 0.810 1.224) 1.885 4.346 ( 0.975 -0.014 -2.033) 2.255 4.383 ( 0.076 1.071 -1.166) 1.585 4.472 ( 1.156 1.598 0.869) 2.155 4.510 ( 0.400 0.549 -0.959) 1.175 4.538 ( 0.714 0.551 0.625) 1.098 4.612 ( -1.670 -3.503 -2.411) 4.569 4.811 ( -1.065 2.167 0.811) 2.547 4.851 ( -2.130 0.906 -0.263) 2.329 4.867 ( -1.174 0.676 -0.510) 1.447 4.900 ( -1.893 0.192 -0.700) 2.028 4.948 ( 0.139 1.100 0.514) 1.222 4.971 ( 1.258 1.244 -1.143) 2.107 5.048 ( -0.557 0.629 0.871) 1.210 5.055 ( 3.227 -0.395 -0.169) 3.256 5.118 ( 1.658 0.817 1.120) 2.162 5.135 ( 3.846 -0.627 -0.653) 3.951 5.175 ( 0.551 -0.712 1.163) 1.470 5.217 ( 0.104 -2.174 1.200) 2.485 5.262 ( 0.570 -0.961 0.058) 1.119 5.300 ( 1.280 -2.609 -0.395) 2.933 5.384 ( 2.422 -0.606 0.320) 2.517 5.390 ( 1.867 -0.477 0.058) 1.928 5.605 ( 0.007 1.050 0.356) 1.109 5.614 ( -0.066 1.532 0.212) 1.548 5.661 ( 0.491 -0.765 0.307) 0.959 5.705 ( -0.555 -1.136 -1.279) 1.798 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 1.313 -1.119 0.020) 1.726 0.981 ( 0.799 -1.586 -0.113) 1.779 1.019 ( 0.031 -1.837 0.039) 1.837 1.029 ( -1.002 -2.085 -0.415) 2.350 1.225 ( 0.199 -2.613 0.590) 2.686 1.230 ( -0.682 -1.546 0.458) 1.750 1.248 ( -0.184 -2.588 0.442) 2.632 1.262 ( -1.104 -2.782 -0.239) 3.002 1.566 ( 1.758 7.031 1.636) 7.430 1.588 ( -0.323 7.096 1.963) 7.369 1.680 ( 0.112 2.988 -2.175) 3.697 1.682 ( -0.024 4.557 -1.693) 4.861 1.790 ( 1.809 4.141 1.768) 4.852 1.816 ( -0.992 3.657 1.725) 4.163 1.893 ( 2.822 1.898 -2.793) 4.401 1.923 ( -0.864 1.756 -2.937) 3.530 2.031 ( 3.474 -4.890 0.841) 6.057 2.079 ( 2.431 -5.315 -1.349) 5.998 2.117 ( -3.156 -5.402 1.761) 6.499 2.154 ( -3.407 -5.147 0.061) 6.173 2.265 ( 9.067 3.403 0.579) 9.702 2.289 ( 9.721 3.578 -0.524) 10.372 2.348 ( 0.807 1.364 0.954) 1.849 2.381 ( -0.630 0.330 -0.866) 1.121 2.517 ( 9.733 -4.293 0.892) 10.675 2.538 ( 10.450 -4.012 0.176) 11.195 2.755 ( 0.049 3.655 1.912) 4.125 2.784 ( -2.723 4.335 1.324) 5.287 2.840 ( -2.147 2.267 -0.801) 3.223 2.842 ( -9.356 1.850 -0.678) 9.561 2.863 ( -10.270 0.440 0.475) 10.290 2.871 ( -10.347 0.500 0.538) 10.373 2.972 ( 2.919 10.174 0.393) 10.592 3.051 ( -4.496 10.528 2.059) 11.632 3.078 ( 1.633 8.302 -3.421) 9.127 3.137 ( -3.735 9.546 -1.426) 10.349 3.967 ( 1.272 -1.854 0.301) 2.268 3.978 ( 0.731 -1.252 -0.290) 1.478 4.001 ( -0.450 -0.013 0.881) 0.989 4.021 ( -2.109 -0.898 -0.013) 2.293 4.151 ( -0.180 4.727 1.609) 4.996 4.157 ( -0.792 4.996 1.272) 5.216 4.228 ( 0.685 3.346 -1.875) 3.897 4.239 ( -0.164 3.175 -1.483) 3.508 4.317 ( 1.253 -0.200 0.612) 1.409 4.334 ( -0.523 -0.346 1.072) 1.242 4.363 ( 1.316 -0.315 -1.289) 1.869 4.384 ( -0.380 -0.159 -1.060) 1.137 4.499 ( 1.498 0.580 0.240) 1.625 4.519 ( -0.091 -0.041 -0.779) 0.785 4.551 ( 0.869 0.038 -0.325) 0.928 4.577 ( -1.743 -1.589 -1.670) 2.890 4.797 ( -0.142 1.588 1.273) 2.040 4.811 ( -1.573 1.143 1.203) 2.286 4.858 ( 0.026 0.693 -0.754) 1.024 4.869 ( -1.148 0.410 -0.702) 1.406 4.957 ( 0.797 1.304 0.957) 1.804 4.975 ( -0.784 1.310 0.529) 1.615 5.048 ( 0.970 0.604 -0.526) 1.258 5.071 ( -0.933 0.284 -1.130) 1.492 5.164 ( 1.736 -0.524 0.778) 1.974 5.173 ( 0.662 0.238 0.696) 0.990 5.200 ( 0.828 -2.208 -0.326) 2.381 5.212 ( -0.523 -1.278 -0.370) 1.429 5.323 ( 5.083 -0.836 0.786) 5.211 5.347 ( 3.577 -1.626 -0.175) 3.933 5.397 ( -1.628 -0.620 0.394) 1.786 5.404 ( -1.081 -0.936 0.158) 1.438 5.606 ( 0.167 1.315 0.505) 1.418 5.611 ( -0.251 1.500 0.493) 1.599 5.675 ( 0.863 -0.883 -0.432) 1.308 5.691 ( -0.821 -1.011 -0.969) 1.623 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.000 -0.423 -0.236) 0.484 0.927 ( 0.000 -0.086 -0.674) 0.680 0.966 ( 0.000 -1.998 1.005) 2.237 0.985 ( 0.000 -3.030 0.459) 3.065 1.165 ( 0.000 -0.885 -0.793) 1.188 1.197 ( 0.000 -4.039 -1.037) 4.170 1.238 ( 0.000 -1.198 0.011) 1.198 1.239 ( 0.000 -1.091 0.683) 1.287 1.583 ( 0.000 3.030 0.291) 3.044 1.606 ( 0.000 1.324 -0.775) 1.534 1.612 ( 0.000 1.770 -4.714) 5.035 1.653 ( 0.000 -2.223 -6.288) 6.669 1.810 ( 0.000 5.782 2.543) 6.316 1.850 ( 0.000 3.665 -0.221) 3.672 1.876 ( 0.000 2.862 3.141) 4.249 1.937 ( 0.000 -1.879 -0.866) 2.069 1.958 ( 0.000 -0.203 0.565) 0.600 1.974 ( 0.000 -1.190 0.215) 1.210 2.021 ( 0.000 1.543 0.091) 1.545 2.026 ( 0.000 1.718 0.617) 1.826 2.131 ( 0.000 -3.804 5.071) 6.339 2.160 ( 0.000 -5.737 4.152) 7.082 2.342 ( 0.000 0.823 0.356) 0.897 2.359 ( 0.000 -0.931 -0.518) 1.065 2.423 ( 0.000 -0.021 0.922) 0.923 2.434 ( 0.000 -1.055 0.343) 1.109 2.815 ( 0.000 3.046 -1.452) 3.375 2.854 ( 0.000 -0.780 -2.715) 2.825 2.912 ( 0.000 2.759 1.124) 2.979 2.932 ( 0.000 0.888 0.254) 0.923 2.999 ( 0.000 5.323 0.754) 5.376 3.033 ( 0.000 2.073 -0.648) 2.172 3.204 ( 0.000 2.487 -3.217) 4.066 3.222 ( 0.000 0.623 -4.425) 4.469 3.374 ( 0.000 1.276 2.585) 2.883 3.393 ( 0.000 -0.257 2.043) 2.059 3.887 ( 0.000 -1.214 0.644) 1.375 3.893 ( 0.000 -1.827 0.349) 1.860 4.081 ( 0.000 2.619 0.743) 2.723 4.105 ( 0.000 0.215 -0.227) 0.313 4.228 ( 0.000 1.158 -0.058) 1.160 4.234 ( 0.000 0.705 -0.268) 0.754 4.246 ( 0.000 1.210 0.034) 1.210 4.253 ( 0.000 0.954 -0.388) 1.030 4.285 ( 0.000 1.763 0.898) 1.978 4.323 ( 0.000 -1.534 -0.873) 1.765 4.388 ( 0.000 5.555 1.286) 5.702 4.431 ( 0.000 2.435 -0.349) 2.460 4.490 ( 0.000 1.227 0.356) 1.277 4.512 ( 0.000 -0.594 -0.300) 0.666 4.519 ( 0.000 -1.157 0.099) 1.162 4.539 ( 0.000 -4.760 -0.964) 4.856 4.868 ( 0.000 1.886 -0.572) 1.970 4.883 ( 0.000 0.326 -1.060) 1.109 4.913 ( 0.000 0.696 -2.190) 2.298 4.925 ( 0.000 -0.481 -2.353) 2.402 4.966 ( 0.000 1.275 0.851) 1.533 4.973 ( 0.000 1.049 0.562) 1.190 4.996 ( 0.000 -0.284 0.313) 0.422 5.015 ( 0.000 -1.714 -0.525) 1.793 5.092 ( 0.000 0.122 3.515) 3.517 5.112 ( 0.000 -1.424 2.094) 2.532 5.172 ( 0.000 0.064 0.478) 0.482 5.176 ( 0.000 -0.707 1.301) 1.481 5.243 ( 0.000 -0.958 -1.726) 1.974 5.244 ( 0.000 -1.253 -1.039) 1.628 5.348 ( 0.000 0.086 0.353) 0.363 5.354 ( 0.000 -0.448 0.041) 0.450 5.622 ( 0.000 0.786 0.117) 0.794 5.632 ( 0.000 -0.017 -0.404) 0.404 5.658 ( 0.000 1.065 0.522) 1.186 5.685 ( 0.000 -1.448 -0.685) 1.602 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.20 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.861 -0.402 -0.111) 0.956 0.939 ( 1.117 -0.557 -0.716) 1.439 0.972 ( 0.495 -1.637 0.982) 1.972 0.990 ( 0.347 -2.599 0.377) 2.649 1.169 ( 0.328 -1.032 -0.498) 1.192 1.194 ( -0.220 -3.484 -0.636) 3.549 1.225 ( -1.328 -1.040 0.355) 1.724 1.228 ( -0.962 -1.481 -0.350) 1.800 1.616 ( 2.737 3.043 -1.960) 4.537 1.657 ( 2.214 -0.977 -3.276) 4.073 1.703 ( 5.729 3.366 -0.836) 6.697 1.723 ( 6.364 1.150 -2.386) 6.893 1.822 ( 1.777 2.963 1.364) 3.714 1.841 ( -0.624 3.923 0.099) 3.973 1.870 ( -0.579 1.247 2.472) 2.829 1.924 ( -0.447 -2.044 -1.185) 2.404 1.999 ( 1.527 1.619 0.588) 2.302 2.020 ( 0.099 1.238 -0.547) 1.357 2.034 ( 7.008 -1.449 0.246) 7.160 2.049 ( 3.751 -0.908 0.327) 3.873 2.117 ( 1.259 -2.220 4.552) 5.218 2.142 ( -0.108 -4.170 3.444) 5.410 2.348 ( 0.750 0.909 0.217) 1.198 2.365 ( 0.577 -0.704 -0.633) 1.108 2.420 ( -0.314 -0.688 0.680) 1.017 2.427 ( -0.571 -1.279 0.271) 1.426 2.813 ( 0.108 2.977 -0.387) 3.004 2.851 ( -0.009 -0.743 -1.692) 1.848 2.896 ( -1.435 2.792 1.162) 3.347 2.919 ( -1.156 0.532 0.272) 1.302 3.037 ( 2.410 4.863 1.024) 5.523 3.061 ( 0.197 2.039 -0.098) 2.051 3.146 ( -7.259 1.315 -3.683) 8.246 3.164 ( -5.690 -0.150 -4.565) 7.296 3.292 ( -6.007 3.195 2.680) 7.312 3.320 ( -5.150 0.789 1.488) 5.418 3.903 ( 1.649 -0.860 0.624) 1.962 3.910 ( 1.688 -1.551 0.286) 2.310 4.064 ( -1.820 1.998 0.539) 2.756 4.079 ( -2.509 0.397 -0.108) 2.542 4.235 ( 0.627 2.730 0.431) 2.834 4.246 ( 0.749 1.408 -0.161) 1.603 4.257 ( 1.131 1.634 0.137) 1.992 4.262 ( 0.882 1.256 -0.341) 1.572 4.294 ( 0.949 0.553 0.745) 1.327 4.326 ( 0.180 -2.052 -0.674) 2.168 4.371 ( -1.408 3.725 0.911) 4.085 4.412 ( -1.815 0.879 -0.986) 2.245 4.495 ( 0.452 0.640 0.142) 0.797 4.511 ( 0.430 0.548 -0.258) 0.743 4.524 ( 0.022 -2.195 -0.085) 2.197 4.544 ( 0.376 -2.642 -0.628) 2.742 4.854 ( -1.240 2.077 -0.487) 2.468 4.869 ( -1.670 0.780 -0.855) 2.032 4.878 ( -1.526 0.303 -0.927) 1.811 4.893 ( -1.958 -0.898 -1.433) 2.587 4.974 ( 0.394 1.468 0.960) 1.797 4.989 ( 1.146 0.364 -0.194) 1.217 5.037 ( 0.736 -0.561 0.487) 1.046 5.047 ( 1.902 -0.977 -0.677) 2.243 5.115 ( 2.971 -0.101 1.973) 3.568 5.125 ( 2.458 -0.807 1.385) 2.934 5.174 ( 0.233 0.273 0.536) 0.645 5.183 ( 0.657 -0.924 1.184) 1.640 5.245 ( 1.028 -0.413 -1.128) 1.581 5.257 ( 1.511 -1.607 -1.046) 2.442 5.378 ( 2.173 -0.044 0.346) 2.201 5.382 ( 1.982 -0.332 0.209) 2.020 5.625 ( 0.272 0.954 0.143) 1.003 5.637 ( 0.409 0.149 -0.458) 0.632 5.656 ( -0.226 0.704 0.487) 0.885 5.680 ( -0.460 -1.406 -0.646) 1.614 ======================= Grid point 97 (42/63) ======================= q-point: ( 0.40 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 1.490 -0.425 0.200) 1.562 0.963 ( 1.013 -0.583 -0.238) 1.193 0.977 ( -0.053 -1.647 0.451) 1.708 0.989 ( -0.617 -1.870 0.108) 1.972 1.178 ( 0.642 -1.228 -0.087) 1.389 1.193 ( 0.241 -2.446 -0.317) 2.478 1.197 ( -1.322 -1.083 0.100) 1.712 1.207 ( -1.045 -2.018 -0.485) 2.324 1.678 ( 3.183 4.328 -0.673) 5.415 1.700 ( 1.814 2.733 -1.115) 3.464 1.740 ( -0.223 3.545 0.061) 3.553 1.760 ( -1.221 2.431 -1.041) 2.913 1.837 ( 0.302 1.467 0.838) 1.716 1.848 ( -0.670 0.207 0.995) 1.218 1.878 ( 1.873 -2.439 0.090) 3.076 1.909 ( -1.318 -3.676 -0.777) 3.982 2.008 ( 0.285 1.377 0.116) 1.411 2.018 ( -0.387 0.307 -0.430) 0.655 2.045 ( -0.826 -2.246 1.002) 2.594 2.061 ( -1.880 -3.770 0.478) 4.240 2.340 ( 9.331 4.198 0.471) 10.243 2.360 ( 5.267 2.955 -0.448) 6.056 2.377 ( 5.256 1.769 0.357) 5.557 2.386 ( 2.786 0.468 -0.073) 2.826 2.430 ( 9.960 -4.557 0.820) 10.984 2.455 ( 10.330 -4.425 -0.054) 11.238 2.802 ( -11.070 1.062 0.133) 11.121 2.819 ( -16.110 -0.873 -0.456) 16.140 2.850 ( -7.075 1.348 0.563) 7.224 2.866 ( -1.642 1.611 1.034) 2.522 2.872 ( -3.359 0.282 0.148) 3.374 2.892 ( -1.572 -0.012 0.225) 1.588 3.134 ( 3.888 5.776 -0.224) 6.966 3.178 ( 3.661 1.499 -1.991) 4.429 3.207 ( -3.629 5.238 0.741) 6.415 3.245 ( -3.274 1.560 -0.828) 3.720 3.949 ( 3.012 -0.076 0.512) 3.056 3.956 ( 2.964 -0.718 0.183) 3.055 4.013 ( -3.281 0.738 0.408) 3.388 4.019 ( -3.361 0.152 0.128) 3.367 4.245 ( 0.392 4.594 1.114) 4.744 4.251 ( -0.154 3.964 0.902) 4.068 4.282 ( 1.363 1.196 -0.470) 1.873 4.292 ( 1.790 1.913 -0.518) 2.670 4.306 ( -0.109 -1.092 0.747) 1.327 4.334 ( -0.262 -0.560 -0.243) 0.665 4.342 ( -0.250 -0.427 -0.252) 0.555 4.374 ( -1.951 -1.304 -1.232) 2.651 4.508 ( 0.661 0.416 -0.167) 0.799 4.516 ( -0.116 0.671 -0.486) 0.836 4.530 ( 0.757 -1.721 -0.256) 1.897 4.544 ( -0.450 -1.704 -0.454) 1.820 4.834 ( -0.534 2.061 -0.220) 2.140 4.839 ( -1.052 1.571 -0.156) 1.897 4.861 ( -0.373 -0.539 -0.923) 1.132 4.865 ( -0.891 -0.932 -0.975) 1.617 4.987 ( 0.927 1.943 1.101) 2.418 5.003 ( -0.207 1.584 0.443) 1.658 5.034 ( 0.253 -1.683 0.763) 1.865 5.050 ( -0.888 -2.139 0.024) 2.316 5.162 ( 1.383 0.365 0.100) 1.434 5.174 ( 1.346 -0.783 -0.616) 1.675 5.176 ( -0.154 0.348 0.239) 0.449 5.189 ( -0.271 -1.007 -0.108) 1.048 5.313 ( 5.290 -0.122 0.371) 5.305 5.322 ( 4.775 -0.963 0.058) 4.871 5.389 ( -1.743 -0.169 0.403) 1.797 5.391 ( -1.590 -0.388 0.358) 1.675 5.632 ( 0.456 1.293 0.178) 1.382 5.640 ( -0.247 1.414 -0.003) 1.436 5.657 ( 0.490 -0.976 -0.167) 1.105 5.669 ( -0.679 -1.310 -0.540) 1.571 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.000 0.000 -9.514) 9.514 0.505 ( 0.000 0.000 9.514) 9.514 0.666 ( 0.000 0.000 -10.348) 10.348 0.666 ( 0.000 0.000 10.348) 10.348 0.848 ( 0.000 0.000 -1.151) 1.151 0.848 ( 0.000 0.000 1.151) 1.151 0.983 ( 0.000 0.000 -5.350) 5.350 0.983 ( 0.000 0.000 5.350) 5.350 1.119 ( 0.000 0.000 -18.045) 18.045 1.119 ( 0.000 0.000 18.045) 18.045 1.187 ( 0.000 0.000 -4.839) 4.839 1.187 ( 0.000 0.000 4.839) 4.839 1.266 ( 0.000 0.000 -4.325) 4.325 1.266 ( 0.000 0.000 4.325) 4.325 1.473 ( 0.000 0.000 -5.362) 5.362 1.473 ( 0.000 0.000 5.362) 5.362 1.603 ( 0.000 0.000 -2.870) 2.870 1.603 ( 0.000 0.000 2.870) 2.870 1.994 ( 0.000 0.000 -8.970) 8.970 1.994 ( 0.000 0.000 8.970) 8.970 2.023 ( 0.000 0.000 -0.501) 0.501 2.023 ( 0.000 0.000 0.501) 0.501 2.043 ( 0.000 0.000 -0.417) 0.417 2.043 ( 0.000 0.000 0.417) 0.417 2.419 ( 0.000 0.000 -1.419) 1.419 2.419 ( 0.000 0.000 1.419) 1.419 2.452 ( 0.000 0.000 -0.870) 0.870 2.452 ( 0.000 0.000 0.870) 0.870 2.580 ( 0.000 0.000 -4.891) 4.891 2.580 ( 0.000 0.000 4.891) 4.891 2.717 ( 0.000 0.000 -1.355) 1.355 2.717 ( 0.000 0.000 1.355) 1.355 2.843 ( 0.000 0.000 -2.571) 2.571 2.843 ( 0.000 0.000 2.571) 2.571 3.589 ( 0.000 0.000 -3.423) 3.423 3.589 ( 0.000 0.000 3.423) 3.423 3.670 ( 0.000 0.000 -1.925) 1.925 3.670 ( 0.000 0.000 1.925) 1.925 3.784 ( 0.000 0.000 -0.461) 0.461 3.784 ( 0.000 0.000 0.461) 0.461 3.916 ( 0.000 0.000 -1.080) 1.080 3.916 ( 0.000 0.000 1.080) 1.080 3.989 ( 0.000 0.000 -1.818) 1.818 3.989 ( 0.000 0.000 1.818) 1.818 4.030 ( 0.000 0.000 -1.960) 1.960 4.030 ( 0.000 0.000 1.960) 1.960 4.221 ( 0.000 0.000 -1.517) 1.517 4.221 ( 0.000 0.000 1.517) 1.517 4.492 ( 0.000 0.000 -0.423) 0.423 4.492 ( 0.000 0.000 0.423) 0.423 4.624 ( 0.000 0.000 -2.393) 2.393 4.624 ( 0.000 0.000 2.393) 2.393 4.681 ( 0.000 0.000 -1.789) 1.789 4.681 ( 0.000 0.000 1.789) 1.789 4.853 ( 0.000 0.000 -0.840) 0.840 4.853 ( 0.000 0.000 0.840) 0.840 4.933 ( 0.000 0.000 -0.129) 0.129 4.933 ( 0.000 0.000 0.129) 0.129 5.015 ( 0.000 0.000 -2.136) 2.136 5.015 ( 0.000 0.000 2.136) 2.136 5.166 ( 0.000 0.000 -5.820) 5.820 5.166 ( 0.000 0.000 5.820) 5.820 5.263 ( 0.000 0.000 -1.193) 1.193 5.263 ( 0.000 0.000 1.193) 1.193 5.338 ( 0.000 0.000 -2.003) 2.003 5.338 ( 0.000 0.000 2.003) 2.003 5.485 ( 0.000 0.000 -0.666) 0.666 5.485 ( 0.000 0.000 0.666) 0.666 5.695 ( 0.000 0.000 -2.381) 2.381 5.695 ( 0.000 0.000 2.381) 2.381 6.041 ( 0.000 0.000 -0.758) 0.758 6.041 ( 0.000 0.000 0.758) 0.758 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 3.823 0.000 -10.962) 11.609 0.626 ( 3.823 0.000 10.962) 11.609 0.702 ( 3.218 0.000 -7.865) 8.498 0.702 ( 3.218 0.000 7.865) 8.498 0.845 ( -0.351 0.000 -1.376) 1.420 0.845 ( -0.351 0.000 1.376) 1.420 0.930 ( -6.096 0.000 -4.358) 7.494 0.930 ( -6.096 0.000 4.358) 7.494 1.150 ( 7.132 0.000 -7.219) 10.148 1.150 ( 7.132 0.000 7.219) 10.148 1.294 ( 2.922 0.000 -4.630) 5.475 1.294 ( 2.922 0.000 4.630) 5.475 1.350 ( 15.178 0.000 -9.074) 17.683 1.350 ( 15.178 0.000 9.074) 17.683 1.546 ( 5.963 0.000 -4.469) 7.452 1.546 ( 5.963 0.000 4.469) 7.452 1.572 ( -3.181 0.000 -3.250) 4.547 1.572 ( -3.181 0.000 3.250) 4.547 1.967 ( -1.303 0.000 -5.897) 6.039 1.967 ( -1.303 0.000 5.897) 6.039 2.023 ( -0.049 0.000 -0.388) 0.391 2.023 ( -0.049 0.000 0.388) 0.391 2.039 ( -0.337 0.000 -0.426) 0.543 2.039 ( -0.337 0.000 0.426) 0.543 2.361 ( -5.500 0.000 -2.058) 5.872 2.361 ( -5.500 0.000 2.058) 5.872 2.494 ( 2.842 0.000 -2.009) 3.481 2.494 ( 2.842 0.000 2.009) 3.481 2.541 ( -2.870 0.000 -2.821) 4.024 2.541 ( -2.870 0.000 2.821) 4.024 2.733 ( 2.408 0.000 -0.625) 2.488 2.733 ( 2.408 0.000 0.625) 2.488 2.800 ( -2.950 0.000 -0.830) 3.065 2.800 ( -2.950 0.000 0.830) 3.065 3.440 ( -14.294 0.000 -3.648) 14.752 3.440 ( -14.294 0.000 3.648) 14.752 3.668 ( -0.150 0.000 -1.559) 1.566 3.668 ( -0.150 0.000 1.559) 1.566 3.782 ( -0.123 0.000 -0.515) 0.530 3.782 ( -0.123 0.000 0.515) 0.530 3.924 ( 0.810 0.000 -1.031) 1.311 3.924 ( 0.810 0.000 1.031) 1.311 3.983 ( -0.611 0.000 -1.709) 1.815 3.983 ( -0.611 0.000 1.709) 1.815 4.158 ( 8.128 0.000 -2.591) 8.532 4.158 ( 8.128 0.000 2.591) 8.532 4.261 ( 4.696 0.000 -2.400) 5.273 4.261 ( 4.696 0.000 2.400) 5.273 4.479 ( -0.749 0.000 -0.063) 0.751 4.479 ( -0.749 0.000 0.063) 0.751 4.628 ( 0.446 0.000 -2.359) 2.401 4.628 ( 0.446 0.000 2.359) 2.401 4.675 ( -0.584 0.000 -1.872) 1.961 4.675 ( -0.584 0.000 1.872) 1.961 4.808 ( -5.799 0.000 -2.196) 6.201 4.808 ( -5.799 0.000 2.196) 6.201 4.874 ( -3.403 0.000 -1.108) 3.579 4.874 ( -3.403 0.000 1.108) 3.579 4.970 ( -0.459 0.000 -2.009) 2.061 4.970 ( -0.459 0.000 2.009) 2.061 5.217 ( 0.335 0.000 -3.219) 3.237 5.217 ( 0.335 0.000 3.219) 3.237 5.289 ( 1.429 0.000 -2.922) 3.253 5.289 ( 1.429 0.000 2.922) 3.253 5.403 ( 6.746 0.000 -2.426) 7.169 5.403 ( 6.746 0.000 2.426) 7.169 5.536 ( 4.697 0.000 -0.702) 4.750 5.536 ( 4.697 0.000 0.702) 4.750 5.715 ( 2.044 0.000 -2.875) 3.527 5.715 ( 2.044 0.000 2.875) 3.527 5.983 ( -5.312 0.000 -1.939) 5.655 5.983 ( -5.312 0.000 1.939) 5.655 ======================= Grid point 134 (45/63) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -2.531 0.000 -6.914) 7.363 0.608 ( -2.531 0.000 6.914) 7.363 0.764 ( 2.489 0.000 -3.330) 4.158 0.764 ( 2.489 0.000 3.330) 4.158 0.832 ( -0.910 0.000 -1.395) 1.666 0.832 ( -0.910 0.000 1.395) 1.666 0.834 ( -2.695 0.000 -3.238) 4.213 0.834 ( -2.695 0.000 3.238) 4.213 1.286 ( 4.961 0.000 -2.078) 5.378 1.286 ( 4.961 0.000 2.078) 5.378 1.376 ( 5.375 0.000 -4.802) 7.208 1.376 ( 5.375 0.000 4.802) 7.208 1.486 ( -5.464 0.000 -4.117) 6.842 1.486 ( -5.464 0.000 4.117) 6.842 1.533 ( 0.986 0.000 -3.172) 3.321 1.533 ( 0.986 0.000 3.172) 3.321 1.741 ( 10.455 0.000 -2.207) 10.685 1.741 ( 10.455 0.000 2.207) 10.685 2.003 ( 4.535 0.000 -0.910) 4.625 2.003 ( 4.535 0.000 0.910) 4.625 2.022 ( -0.016 0.000 -0.172) 0.173 2.022 ( -0.016 0.000 0.172) 0.173 2.033 ( -0.206 0.000 -0.245) 0.320 2.033 ( -0.206 0.000 0.245) 0.320 2.283 ( 0.213 0.000 -2.072) 2.083 2.283 ( 0.213 0.000 2.072) 2.083 2.413 ( -7.599 0.000 -3.129) 8.218 2.413 ( -7.599 0.000 3.129) 8.218 2.589 ( 3.343 0.000 -0.825) 3.444 2.589 ( 3.343 0.000 0.825) 3.444 2.741 ( -2.302 0.000 -0.480) 2.352 2.741 ( -2.302 0.000 0.480) 2.352 2.838 ( 8.430 0.000 -2.035) 8.673 2.838 ( 8.430 0.000 2.035) 8.673 3.112 ( -17.197 0.000 -3.590) 17.568 3.112 ( -17.197 0.000 3.590) 17.568 3.666 ( -0.092 0.000 -0.596) 0.603 3.666 ( -0.092 0.000 0.596) 0.603 3.780 ( -0.073 0.000 -0.253) 0.263 3.780 ( -0.073 0.000 0.253) 0.263 3.944 ( 1.189 0.000 -1.108) 1.626 3.944 ( 1.189 0.000 1.108) 1.626 3.967 ( -1.070 0.000 -1.420) 1.778 3.967 ( -1.070 0.000 1.420) 1.778 4.250 ( 2.691 0.000 -1.826) 3.252 4.250 ( 2.691 0.000 1.826) 3.252 4.331 ( 0.047 0.000 -2.600) 2.600 4.331 ( 0.047 0.000 2.600) 2.600 4.524 ( 5.856 0.000 -1.356) 6.011 4.524 ( 5.856 0.000 1.356) 6.011 4.640 ( 0.662 0.000 -1.951) 2.060 4.640 ( 0.662 0.000 1.951) 2.060 4.661 ( -0.746 0.000 -1.765) 1.917 4.661 ( -0.746 0.000 1.765) 1.917 4.676 ( -6.675 0.000 -1.307) 6.802 4.676 ( -6.675 0.000 1.307) 6.802 4.841 ( -0.796 0.000 -0.050) 0.798 4.841 ( -0.796 0.000 0.050) 0.798 4.969 ( 0.058 0.000 -0.687) 0.689 4.969 ( 0.058 0.000 0.687) 0.689 5.213 ( -0.290 0.000 -0.891) 0.937 5.213 ( -0.290 0.000 0.891) 0.937 5.299 ( 0.059 0.000 -0.844) 0.846 5.299 ( 0.059 0.000 0.844) 0.846 5.509 ( 3.070 0.000 -1.093) 3.259 5.509 ( 3.070 0.000 1.093) 3.259 5.623 ( 3.086 0.000 -0.728) 3.171 5.623 ( 3.086 0.000 0.728) 3.171 5.771 ( 3.884 0.000 -3.165) 5.010 5.771 ( 3.884 0.000 3.165) 5.010 5.869 ( -5.887 0.000 -2.847) 6.539 5.869 ( -5.887 0.000 2.847) 6.539 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 0.000 7.495 -7.240) 10.421 0.588 ( 0.000 7.495 7.240) 10.421 0.628 ( 0.000 -3.439 -17.584) 17.917 0.628 ( 0.000 -3.439 17.584) 17.917 0.923 ( 0.000 10.478 -0.721) 10.503 0.923 ( 0.000 10.478 0.721) 10.503 1.036 ( 0.000 1.860 -1.057) 2.139 1.036 ( 0.000 1.860 1.057) 2.139 1.094 ( 0.000 0.024 -0.509) 0.510 1.094 ( 0.000 0.024 0.509) 0.510 1.300 ( 0.000 8.690 -6.478) 10.839 1.300 ( 0.000 8.690 6.478) 10.839 1.339 ( 0.000 1.214 -4.767) 4.920 1.339 ( 0.000 1.214 4.767) 4.920 1.481 ( 0.000 10.653 -2.974) 11.060 1.481 ( 0.000 10.653 2.974) 11.060 1.731 ( 0.000 4.012 -0.672) 4.068 1.731 ( 0.000 4.012 0.672) 4.068 1.898 ( 0.000 0.825 -3.995) 4.079 1.898 ( 0.000 0.825 3.995) 4.079 2.051 ( 0.000 2.655 -0.132) 2.659 2.051 ( 0.000 2.655 0.132) 2.659 2.197 ( 0.000 9.200 -2.037) 9.423 2.197 ( 0.000 9.200 2.037) 9.423 2.415 ( 0.000 -0.302 -1.758) 1.784 2.415 ( 0.000 -0.302 1.758) 1.784 2.457 ( 0.000 0.535 -0.963) 1.102 2.457 ( 0.000 0.535 0.963) 1.102 2.557 ( 0.000 -3.541 -1.520) 3.853 2.557 ( 0.000 -3.541 1.520) 3.853 2.623 ( 0.000 -5.773 -2.416) 6.258 2.623 ( 0.000 -5.773 2.416) 6.258 2.761 ( 0.000 -3.851 -2.265) 4.467 2.761 ( 0.000 -3.851 2.265) 4.467 3.560 ( 0.000 -2.050 -3.201) 3.802 3.560 ( 0.000 -2.050 3.201) 3.802 3.811 ( 0.000 7.335 -1.949) 7.590 3.811 ( 0.000 7.335 1.949) 7.590 3.891 ( 0.000 3.741 -0.730) 3.812 3.891 ( 0.000 3.741 0.730) 3.812 3.968 ( 0.000 4.051 -0.219) 4.057 3.968 ( 0.000 4.051 0.219) 4.057 4.031 ( 0.000 9.740 -4.337) 10.662 4.031 ( 0.000 9.740 4.337) 10.662 4.095 ( 0.000 6.011 -0.758) 6.058 4.095 ( 0.000 6.011 0.758) 6.058 4.222 ( 0.000 0.275 -1.401) 1.428 4.222 ( 0.000 0.275 1.401) 1.428 4.489 ( 0.000 -0.305 -0.473) 0.563 4.489 ( 0.000 -0.305 0.474) 0.563 4.656 ( 0.000 2.538 -1.988) 3.224 4.656 ( 0.000 2.538 1.988) 3.224 4.680 ( 0.000 0.322 -2.360) 2.382 4.680 ( 0.000 0.322 2.360) 2.382 4.856 ( 0.000 0.213 -0.186) 0.283 4.856 ( 0.000 0.213 0.186) 0.283 4.920 ( 0.000 -1.434 -0.238) 1.453 4.920 ( 0.000 -1.434 0.238) 1.453 5.012 ( 0.000 -0.476 -1.563) 1.634 5.012 ( 0.000 -0.476 1.563) 1.634 5.136 ( 0.000 -2.852 -5.464) 6.163 5.136 ( 0.000 -2.852 5.464) 6.163 5.264 ( 0.000 0.292 -1.360) 1.391 5.264 ( 0.000 0.292 1.360) 1.391 5.324 ( 0.000 -1.130 -1.755) 2.087 5.324 ( 0.000 -1.130 1.755) 2.087 5.475 ( 0.000 -0.927 -0.538) 1.072 5.475 ( 0.000 -0.927 0.538) 1.072 5.675 ( 0.000 -1.948 -2.163) 2.911 5.675 ( 0.000 -1.948 2.163) 2.911 5.970 ( 0.000 -6.271 -2.207) 6.648 5.970 ( 0.000 -6.271 2.207) 6.648 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -0.226 -1.167 -9.934) 10.005 0.621 ( -0.226 -1.167 9.934) 10.005 0.718 ( 5.035 3.682 -4.495) 7.688 0.718 ( 5.035 3.682 4.495) 7.688 0.918 ( -0.150 9.834 -1.589) 9.962 0.918 ( -0.150 9.834 1.589) 9.962 1.032 ( 0.785 1.846 -1.484) 2.495 1.032 ( 0.785 1.846 1.484) 2.495 1.146 ( 3.421 5.662 -1.656) 6.819 1.146 ( 3.421 5.662 1.656) 6.819 1.344 ( 4.206 2.335 -2.280) 5.323 1.344 ( 4.206 2.335 2.280) 5.323 1.422 ( 7.493 -0.624 -2.869) 8.048 1.422 ( 7.493 -0.624 2.869) 8.048 1.515 ( 6.219 12.071 -9.535) 16.592 1.515 ( 6.219 12.071 9.535) 16.592 1.711 ( -2.357 3.022 -1.086) 3.983 1.711 ( -2.357 3.022 1.086) 3.983 1.891 ( 0.198 1.516 -2.594) 3.011 1.891 ( 0.198 1.516 2.594) 3.011 2.054 ( 0.676 3.092 -0.925) 3.297 2.054 ( 0.676 3.092 0.925) 3.297 2.186 ( -0.831 9.207 -1.621) 9.386 2.186 ( -0.831 9.207 1.621) 9.386 2.368 ( -4.349 0.943 -2.022) 4.888 2.368 ( -4.349 0.943 2.022) 4.888 2.483 ( -0.343 -1.815 -3.297) 3.779 2.483 ( -0.343 -1.815 3.297) 3.779 2.519 ( 0.464 -0.944 -0.874) 1.367 2.519 ( 0.464 -0.944 0.874) 1.367 2.682 ( 4.238 -4.452 -2.699) 6.713 2.682 ( 4.238 -4.452 2.699) 6.713 2.749 ( -1.098 -2.804 -1.926) 3.574 2.749 ( -1.098 -2.804 1.926) 3.574 3.412 ( -14.188 -2.126 -3.179) 14.695 3.412 ( -14.188 -2.126 3.179) 14.695 3.789 ( -1.798 8.048 -1.198) 8.333 3.789 ( -1.798 8.048 1.198) 8.333 3.871 ( -1.065 6.205 -0.544) 6.319 3.871 ( -1.065 6.205 0.544) 6.319 3.973 ( 0.356 3.585 -0.173) 3.607 3.973 ( 0.356 3.585 0.173) 3.607 3.999 ( -1.077 4.032 -1.309) 4.374 3.999 ( -1.077 4.032 1.309) 4.374 4.194 ( 5.038 3.158 -3.038) 6.677 4.194 ( 5.038 3.158 3.038) 6.677 4.273 ( 5.234 1.550 -2.843) 6.155 4.273 ( 5.234 1.550 2.843) 6.155 4.477 ( -0.748 -0.190 -0.365) 0.854 4.477 ( -0.748 -0.190 0.365) 0.854 4.658 ( -0.442 0.319 -2.100) 2.170 4.658 ( -0.442 0.319 2.100) 2.170 4.669 ( -0.497 1.820 -2.206) 2.903 4.669 ( -0.497 1.820 2.206) 2.903 4.821 ( -4.060 1.007 -1.696) 4.514 4.821 ( -4.060 1.007 1.696) 4.514 4.878 ( -3.600 0.429 -1.058) 3.777 4.878 ( -3.600 0.429 1.058) 3.777 4.953 ( -0.625 -1.675 -1.703) 2.469 4.953 ( -0.625 -1.675 1.703) 2.469 5.199 ( 0.898 -1.892 -2.665) 3.390 5.199 ( 0.898 -1.892 2.665) 3.390 5.294 ( 1.478 0.569 -2.153) 2.673 5.294 ( 1.478 0.569 2.153) 2.673 5.378 ( 6.423 -2.386 -1.930) 7.119 5.378 ( 6.423 -2.386 1.930) 7.119 5.519 ( 3.993 -1.582 -0.492) 4.323 5.519 ( 3.993 -1.582 0.492) 4.323 5.693 ( 1.773 -2.228 -2.568) 3.834 5.693 ( 1.773 -2.228 2.568) 3.834 5.924 ( -4.271 -5.264 -2.633) 7.272 5.924 ( -4.271 -5.264 2.633) 7.272 ======================= Grid point 144 (48/63) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -2.132 0.969 -2.874) 3.707 0.586 ( -2.132 0.969 2.874) 3.707 0.759 ( 0.520 2.451 -0.890) 2.659 0.759 ( 0.520 2.451 0.890) 2.659 0.941 ( 2.714 9.653 -1.341) 10.116 0.941 ( 2.714 9.653 1.341) 10.116 1.004 ( -3.092 9.351 -1.747) 10.003 1.004 ( -3.092 9.351 1.747) 10.003 1.218 ( 2.644 0.393 -1.675) 3.154 1.218 ( 2.644 0.393 1.675) 3.154 1.388 ( 0.972 -1.325 -1.286) 2.086 1.388 ( 0.972 -1.325 1.286) 2.086 1.524 ( 4.412 2.380 -0.819) 5.080 1.524 ( 4.412 2.380 0.819) 5.080 1.625 ( -4.793 4.436 -0.799) 6.580 1.625 ( -4.793 4.436 0.799) 6.580 1.762 ( 9.457 6.221 -5.202) 12.458 1.762 ( 9.457 6.221 5.202) 12.458 1.916 ( 1.239 -0.215 -1.137) 1.696 1.916 ( 1.239 -0.215 1.137) 1.696 2.118 ( 6.691 6.253 -3.077) 9.661 2.118 ( 6.691 6.253 3.077) 9.661 2.175 ( 0.015 8.635 -1.836) 8.828 2.175 ( 0.015 8.635 1.836) 8.828 2.299 ( -1.321 2.047 -1.634) 2.933 2.299 ( -1.321 2.047 1.634) 2.933 2.395 ( -7.085 -1.603 -2.877) 7.813 2.395 ( -7.085 -1.603 2.877) 7.813 2.581 ( 2.950 -0.588 -1.014) 3.174 2.581 ( 2.950 -0.588 1.014) 3.174 2.705 ( -1.649 -3.201 -1.100) 3.765 2.705 ( -1.649 -3.201 1.100) 3.765 2.813 ( 8.874 -2.005 -2.607) 9.464 2.813 ( 8.874 -2.005 2.607) 9.464 3.085 ( -17.386 -2.315 -3.165) 17.822 3.085 ( -17.386 -2.315 3.165) 17.822 3.762 ( -0.763 8.027 -0.280) 8.068 3.762 ( -0.763 8.027 0.280) 8.068 3.859 ( -0.282 6.436 -0.190) 6.445 3.859 ( -0.282 6.436 0.190) 6.445 3.979 ( 0.283 3.054 -0.483) 3.105 3.979 ( 0.283 3.054 0.483) 3.105 3.987 ( -0.361 2.640 -0.708) 2.757 3.987 ( -0.361 2.640 0.708) 2.757 4.264 ( 2.652 1.476 -1.717) 3.487 4.264 ( 2.652 1.476 1.717) 3.487 4.335 ( -0.116 0.597 -2.486) 2.559 4.335 ( -0.116 0.597 2.486) 2.559 4.505 ( 3.821 -1.514 -1.508) 4.378 4.505 ( 3.821 -1.514 1.508) 4.378 4.615 ( -3.204 -2.412 -1.984) 4.474 4.615 ( -3.204 -2.412 1.984) 4.474 4.684 ( 1.510 3.625 -1.640) 4.256 4.684 ( 1.510 3.625 1.640) 4.256 4.736 ( -3.575 3.831 -0.818) 5.303 4.736 ( -3.575 3.831 0.818) 5.303 4.839 ( -0.915 -0.117 -0.120) 0.931 4.839 ( -0.915 -0.117 0.120) 0.931 4.954 ( 0.143 -1.574 -0.511) 1.661 4.954 ( 0.143 -1.574 0.511) 1.661 5.198 ( -0.240 -1.373 -0.740) 1.578 5.198 ( -0.240 -1.373 0.740) 1.578 5.303 ( 0.050 0.505 -0.598) 0.784 5.303 ( 0.050 0.505 0.598) 0.784 5.489 ( 3.416 -2.032 -1.162) 4.141 5.489 ( 3.416 -2.032 1.162) 4.141 5.592 ( 2.550 -3.016 -0.575) 3.991 5.592 ( 2.550 -3.016 0.575) 3.991 5.740 ( 3.030 -3.198 -2.730) 5.182 5.740 ( 3.030 -3.198 2.730) 5.182 5.831 ( -4.612 -3.235 -2.644) 6.223 5.831 ( -4.612 -3.235 2.644) 6.223 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 10.378 -7.571) 12.846 0.681 ( 0.000 10.378 7.571) 12.846 0.771 ( 0.000 9.939 -4.067) 10.739 0.771 ( 0.000 9.939 4.067) 10.739 1.016 ( 0.000 -0.676 -1.446) 1.596 1.016 ( 0.000 -0.676 1.446) 1.596 1.107 ( 0.000 6.422 -0.664) 6.456 1.107 ( 0.000 6.422 0.664) 6.456 1.179 ( 0.000 4.044 -2.018) 4.519 1.179 ( 0.000 4.044 2.018) 4.519 1.346 ( 0.000 8.415 -0.164) 8.417 1.346 ( 0.000 8.415 0.164) 8.417 1.557 ( 0.000 7.485 -0.725) 7.520 1.557 ( 0.000 7.485 0.725) 7.520 1.624 ( 0.000 3.178 -1.075) 3.355 1.624 ( 0.000 3.178 1.075) 3.355 1.778 ( 0.000 6.023 -2.123) 6.387 1.778 ( 0.000 6.023 2.123) 6.387 2.052 ( 0.000 10.980 -1.129) 11.038 2.052 ( 0.000 10.980 1.129) 11.038 2.145 ( 0.000 7.693 -1.415) 7.823 2.145 ( 0.000 7.693 1.415) 7.823 2.353 ( 0.000 5.144 -2.063) 5.542 2.353 ( 0.000 5.144 2.063) 5.542 2.413 ( 0.000 0.322 -1.525) 1.558 2.413 ( 0.000 0.322 1.525) 1.558 2.465 ( 0.000 -0.752 -0.075) 0.756 2.465 ( 0.000 -0.752 0.075) 0.756 2.490 ( 0.000 0.998 -1.302) 1.640 2.490 ( 0.000 0.998 1.302) 1.640 2.579 ( 0.000 -0.470 -4.196) 4.222 2.579 ( 0.000 -0.470 4.196) 4.222 2.710 ( 0.000 -1.304 -2.832) 3.117 2.710 ( 0.000 -1.304 2.832) 3.117 3.511 ( 0.000 -2.889 -1.942) 3.481 3.511 ( 0.000 -2.889 1.942) 3.481 3.882 ( 0.000 -0.167 -1.353) 1.363 3.882 ( 0.000 -0.167 1.353) 1.363 3.972 ( 0.000 7.820 -2.358) 8.168 3.972 ( 0.000 7.820 2.358) 8.168 4.078 ( 0.000 5.146 -0.900) 5.224 4.078 ( 0.000 5.146 0.900) 5.224 4.141 ( 0.000 3.082 -0.347) 3.102 4.141 ( 0.000 3.082 0.347) 3.102 4.236 ( 0.000 3.619 -0.385) 3.639 4.236 ( 0.000 3.619 0.385) 3.639 4.274 ( 0.000 5.787 -3.941) 7.001 4.274 ( 0.000 5.787 3.941) 7.001 4.477 ( 0.000 -1.167 -1.184) 1.663 4.477 ( 0.000 -1.167 1.184) 1.663 4.650 ( 0.000 -2.566 -4.583) 5.253 4.650 ( 0.000 -2.566 4.583) 5.253 4.732 ( 0.000 3.195 -1.011) 3.351 4.732 ( 0.000 3.195 1.011) 3.351 4.848 ( 0.000 -1.252 -0.717) 1.442 4.848 ( 0.000 -1.252 0.717) 1.442 4.899 ( 0.000 0.855 -0.419) 0.952 4.899 ( 0.000 0.855 0.419) 0.952 5.000 ( 0.000 -0.411 -0.069) 0.417 5.000 ( 0.000 -0.411 0.069) 0.417 5.076 ( 0.000 -2.937 -2.721) 4.004 5.076 ( 0.000 -2.937 2.721) 4.004 5.260 ( 0.000 -1.124 -0.333) 1.172 5.260 ( 0.000 -1.124 0.333) 1.172 5.318 ( 0.000 0.881 -0.931) 1.282 5.318 ( 0.000 0.881 0.931) 1.282 5.453 ( 0.000 -1.331 -0.098) 1.335 5.453 ( 0.000 -1.331 0.098) 1.335 5.628 ( 0.000 -2.637 -1.421) 2.995 5.628 ( 0.000 -2.637 1.421) 2.995 5.844 ( 0.000 -5.956 -1.838) 6.233 5.844 ( 0.000 -5.956 1.838) 6.233 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.20 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 1.125 10.278 -4.948) 11.462 0.699 ( 1.125 10.278 4.948) 11.462 0.836 ( 2.935 7.260 -2.954) 8.369 0.836 ( 2.935 7.260 2.954) 8.369 1.019 ( 0.774 1.677 -0.996) 2.098 1.019 ( 0.774 1.677 0.996) 2.098 1.140 ( 2.848 6.552 -1.883) 7.388 1.140 ( 2.848 6.552 1.883) 7.388 1.231 ( 4.327 3.720 -4.039) 6.991 1.231 ( 4.327 3.720 4.039) 6.991 1.397 ( 3.661 6.267 -1.025) 7.330 1.397 ( 3.661 6.267 1.025) 7.330 1.544 ( -0.026 7.467 -3.761) 8.361 1.544 ( -0.026 7.467 3.761) 8.361 1.649 ( 2.772 0.250 -3.544) 4.506 1.649 ( 2.772 0.250 3.544) 4.506 1.786 ( 2.412 8.815 -3.876) 9.927 1.786 ( 2.412 8.815 3.876) 9.927 2.042 ( -0.775 10.481 -1.516) 10.618 2.042 ( -0.775 10.481 1.516) 10.618 2.155 ( 1.241 7.990 -0.122) 8.087 2.155 ( 1.241 7.990 0.122) 8.087 2.335 ( -1.318 4.247 -1.298) 4.632 2.335 ( -1.318 4.247 1.298) 4.632 2.398 ( -1.737 1.476 -2.063) 3.074 2.398 ( -1.737 1.476 2.063) 3.074 2.450 ( -1.041 1.157 -2.318) 2.792 2.450 ( -1.041 1.157 2.318) 2.792 2.529 ( 2.884 1.798 -1.007) 3.545 2.529 ( 2.884 1.798 1.007) 3.545 2.609 ( 2.636 -2.608 -3.888) 5.373 2.609 ( 2.636 -2.608 3.888) 5.373 2.712 ( 0.502 -0.983 -2.471) 2.706 2.712 ( 0.502 -0.983 2.471) 2.706 3.366 ( -14.079 -2.645 -1.895) 14.450 3.366 ( -14.079 -2.645 1.895) 14.450 3.895 ( 1.019 1.278 -1.112) 1.977 3.895 ( 1.019 1.278 1.112) 1.977 3.960 ( -0.978 6.410 -2.375) 6.906 3.960 ( -0.978 6.410 2.375) 6.906 4.068 ( -0.820 5.072 -0.987) 5.232 4.068 ( -0.820 5.072 0.987) 5.232 4.104 ( -2.592 4.435 -1.257) 5.289 4.104 ( -2.592 4.435 1.257) 5.289 4.257 ( 2.345 3.526 -1.189) 4.399 4.257 ( 2.345 3.526 1.189) 4.399 4.326 ( 3.309 2.914 -3.201) 5.449 4.326 ( 3.309 2.914 3.201) 5.449 4.467 ( -0.708 -1.035 -1.195) 1.732 4.467 ( -0.708 -1.035 1.195) 1.732 4.621 ( -2.650 -3.032 -4.248) 5.854 4.621 ( -2.650 -3.032 4.248) 5.854 4.736 ( 0.560 3.262 -0.751) 3.393 4.736 ( 0.560 3.262 0.751) 3.393 4.840 ( -0.750 0.950 -0.576) 1.340 4.840 ( -0.750 0.950 0.576) 1.340 4.889 ( -2.352 0.713 -0.570) 2.523 4.889 ( -2.352 0.713 0.570) 2.523 4.927 ( -2.021 -0.071 -0.887) 2.208 4.927 ( -2.021 -0.071 0.887) 2.208 5.155 ( 2.556 -2.254 -1.135) 3.592 5.155 ( 2.556 -2.254 1.135) 3.592 5.296 ( 3.162 -1.587 -2.039) 4.083 5.296 ( 3.162 -1.587 2.039) 4.083 5.339 ( 2.928 -0.166 -0.590) 2.991 5.339 ( 2.928 -0.166 0.590) 2.991 5.482 ( 2.613 -2.128 -0.237) 3.378 5.482 ( 2.613 -2.128 0.237) 3.378 5.638 ( 1.016 -3.073 -1.508) 3.571 5.638 ( 1.016 -3.073 1.508) 3.571 5.818 ( -2.428 -4.986 -1.757) 5.818 5.818 ( -2.428 -4.986 1.757) 5.818 ======================= Grid point 154 (51/63) ======================= q-point: ( 0.40 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.391 10.605 -0.924) 10.653 0.703 ( -0.391 10.605 0.924) 10.653 0.860 ( 0.338 7.105 -1.049) 7.190 0.860 ( 0.338 7.105 1.049) 7.190 1.051 ( 2.001 2.667 -0.768) 3.422 1.051 ( 2.001 2.667 0.768) 3.422 1.160 ( -0.630 6.926 -0.858) 7.007 1.160 ( -0.630 6.926 0.858) 7.007 1.314 ( 4.146 4.099 -4.804) 7.554 1.314 ( 4.146 4.099 4.804) 7.554 1.390 ( -2.982 3.321 -3.847) 5.892 1.390 ( -2.982 3.321 3.847) 5.892 1.581 ( 2.173 5.723 -0.106) 6.122 1.581 ( 2.173 5.723 0.106) 6.122 1.660 ( -1.602 0.770 -1.950) 2.639 1.660 ( -1.602 0.770 1.950) 2.639 1.950 ( 9.656 10.895 -4.676) 15.291 1.950 ( 9.656 10.895 4.676) 15.291 2.031 ( -0.567 9.438 -1.788) 9.622 2.031 ( -0.567 9.438 1.788) 9.622 2.214 ( 6.015 4.284 -1.651) 7.567 2.214 ( 6.015 4.284 1.651) 7.567 2.317 ( -0.778 3.502 -0.483) 3.620 2.317 ( -0.778 3.502 0.483) 3.620 2.361 ( -1.811 2.874 -1.830) 3.859 2.361 ( -1.811 2.874 1.830) 3.859 2.399 ( -4.227 5.559 -2.868) 7.550 2.399 ( -4.227 5.559 2.868) 7.550 2.580 ( 1.771 0.878 -0.787) 2.127 2.580 ( 1.771 0.878 0.787) 2.127 2.648 ( 0.697 -1.839 -1.820) 2.679 2.648 ( 0.697 -1.839 1.820) 2.679 2.774 ( 7.853 -1.936 -1.873) 8.302 2.774 ( 7.853 -1.936 1.873) 8.302 3.037 ( -17.751 -2.539 -1.924) 18.035 3.037 ( -17.751 -2.539 1.924) 18.035 3.905 ( -0.005 5.656 -0.386) 5.669 3.905 ( -0.005 5.656 0.386) 5.669 3.949 ( -0.095 2.829 -1.056) 3.021 3.949 ( -0.095 2.829 1.056) 3.021 4.056 ( -0.244 4.191 -0.894) 4.293 4.056 ( -0.244 4.191 0.894) 4.293 4.069 ( -0.974 4.987 -0.789) 5.142 4.069 ( -0.974 4.987 0.789) 5.142 4.308 ( 2.485 2.977 -1.126) 4.038 4.308 ( 2.485 2.977 1.126) 4.038 4.357 ( -0.485 1.350 -1.674) 2.205 4.357 ( -0.485 1.350 1.674) 2.205 4.473 ( 1.431 -1.784 -1.672) 2.833 4.473 ( 1.431 -1.784 1.672) 2.833 4.565 ( -2.583 -2.717 -2.642) 4.586 4.565 ( -2.583 -2.717 2.642) 4.586 4.756 ( 1.535 3.233 -0.566) 3.624 4.756 ( 1.535 3.233 0.566) 3.624 4.808 ( -2.617 2.979 -0.245) 3.972 4.808 ( -2.617 2.979 0.245) 3.972 4.846 ( -0.701 1.466 -0.115) 1.629 4.846 ( -0.701 1.466 0.115) 1.629 4.921 ( 0.159 -1.001 -0.182) 1.030 4.921 ( 0.159 -1.001 0.182) 1.030 5.170 ( 0.008 -1.222 -0.246) 1.247 5.170 ( 0.008 -1.222 0.246) 1.247 5.316 ( 0.074 0.602 -0.205) 0.640 5.316 ( 0.074 0.602 0.205) 0.640 5.437 ( 4.317 -2.956 -1.281) 5.387 5.437 ( 4.317 -2.956 1.281) 5.387 5.522 ( 0.893 -3.847 -0.445) 3.974 5.522 ( 0.893 -3.847 0.445) 3.974 5.660 ( 0.987 -4.346 -1.051) 4.579 5.660 ( 0.987 -4.346 1.051) 4.579 5.770 ( -1.893 -2.818 -0.998) 3.539 5.770 ( -1.893 -2.818 0.998) 3.539 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.000 8.035 -1.695) 8.211 0.930 ( 0.000 8.035 1.695) 8.211 0.945 ( 0.000 9.146 -0.656) 9.169 0.945 ( 0.000 9.146 0.656) 9.169 1.044 ( 0.000 6.805 -0.093) 6.805 1.044 ( 0.000 6.805 0.093) 6.805 1.216 ( 0.000 3.481 -0.968) 3.613 1.216 ( 0.000 3.481 0.968) 3.613 1.248 ( 0.000 5.972 -0.630) 6.005 1.248 ( 0.000 5.972 0.630) 6.005 1.514 ( 0.000 4.680 -1.687) 4.974 1.514 ( 0.000 4.680 1.687) 4.974 1.587 ( 0.000 1.634 -0.337) 1.668 1.587 ( 0.000 1.634 0.337) 1.668 1.723 ( 0.000 4.714 -2.537) 5.353 1.723 ( 0.000 4.714 2.537) 5.353 1.872 ( 0.000 3.092 -0.145) 3.095 1.872 ( 0.000 3.092 0.145) 3.095 2.217 ( 0.000 2.305 -1.168) 2.584 2.217 ( 0.000 2.305 1.168) 2.584 2.324 ( 0.000 4.279 -1.133) 4.427 2.324 ( 0.000 4.279 1.133) 4.427 2.370 ( 0.000 2.841 -2.052) 3.504 2.370 ( 0.000 2.841 2.052) 3.504 2.460 ( 0.000 4.787 -2.882) 5.587 2.460 ( 0.000 4.787 2.882) 5.587 2.484 ( 0.000 3.629 -0.839) 3.725 2.484 ( 0.000 3.629 0.839) 3.725 2.539 ( 0.000 3.705 -0.798) 3.790 2.539 ( 0.000 3.705 0.798) 3.790 2.638 ( 0.000 6.431 -0.398) 6.443 2.638 ( 0.000 6.431 0.398) 6.443 2.731 ( 0.000 4.397 -0.331) 4.409 2.731 ( 0.000 4.397 0.331) 4.409 3.453 ( 0.000 -2.957 -0.450) 2.991 3.453 ( 0.000 -2.957 0.450) 2.991 3.898 ( 0.000 2.095 -2.206) 3.042 3.898 ( 0.000 2.095 2.206) 3.042 4.107 ( 0.000 5.371 -3.038) 6.171 4.107 ( 0.000 5.371 3.038) 6.171 4.132 ( 0.000 0.470 -0.707) 0.849 4.132 ( 0.000 0.470 0.707) 0.849 4.190 ( 0.000 2.774 -0.297) 2.790 4.190 ( 0.000 2.774 0.297) 2.790 4.286 ( 0.000 -3.141 -0.236) 3.150 4.286 ( 0.000 -3.141 0.236) 3.150 4.330 ( 0.000 3.917 -1.069) 4.061 4.330 ( 0.000 3.917 1.069) 4.061 4.425 ( 0.000 -4.180 -1.679) 4.505 4.425 ( 0.000 -4.180 1.679) 4.505 4.595 ( 0.000 -1.311 -8.100) 8.205 4.595 ( 0.000 -1.311 8.100) 8.205 4.777 ( 0.000 1.859 -0.781) 2.016 4.777 ( 0.000 1.859 0.781) 2.016 4.855 ( 0.000 1.895 -0.869) 2.085 4.855 ( 0.000 1.895 0.869) 2.085 4.940 ( 0.000 1.546 -0.359) 1.587 4.940 ( 0.000 1.546 0.359) 1.587 5.004 ( 0.000 1.287 -1.353) 1.867 5.004 ( 0.000 1.287 1.353) 1.867 5.037 ( 0.000 -0.656 -1.089) 1.271 5.037 ( 0.000 -0.656 1.089) 1.271 5.235 ( 0.000 -1.100 -0.083) 1.103 5.235 ( 0.000 -1.100 0.083) 1.103 5.335 ( 0.000 0.393 -1.193) 1.256 5.335 ( 0.000 0.393 1.193) 1.256 5.422 ( 0.000 -2.000 -0.501) 2.062 5.422 ( 0.000 -2.000 0.501) 2.062 5.589 ( 0.000 -1.019 -0.586) 1.175 5.589 ( 0.000 -1.019 0.586) 1.175 5.753 ( 0.000 -3.511 -0.260) 3.521 5.753 ( 0.000 -3.511 0.260) 3.521 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.20 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -0.624 8.381 -1.163) 8.484 0.932 ( -0.624 8.381 1.163) 8.484 0.967 ( 1.787 6.782 -1.745) 7.227 0.967 ( 1.787 6.782 1.745) 7.227 1.073 ( 2.473 6.277 -0.846) 6.800 1.073 ( 2.473 6.277 0.846) 6.800 1.225 ( 0.966 2.701 -0.096) 2.870 1.225 ( 0.966 2.701 0.096) 2.870 1.320 ( 4.823 6.417 -2.074) 8.291 1.320 ( 4.823 6.417 2.074) 8.291 1.536 ( -0.967 3.658 -2.541) 4.558 1.536 ( -0.967 3.658 2.541) 4.558 1.594 ( 4.354 2.650 -3.193) 6.015 1.594 ( 4.354 2.650 3.193) 6.015 1.721 ( 0.084 4.993 -1.205) 5.137 1.721 ( 0.084 4.993 1.205) 5.137 1.910 ( 5.230 4.199 -0.977) 6.778 1.910 ( 5.230 4.199 0.977) 6.778 2.201 ( -1.218 3.100 -1.507) 3.656 2.201 ( -1.218 3.100 1.507) 3.656 2.310 ( -1.729 1.353 -1.181) 2.493 2.310 ( -1.729 1.353 1.181) 2.493 2.390 ( 0.954 4.720 -1.312) 4.991 2.390 ( 0.954 4.720 1.312) 4.991 2.416 ( -0.901 4.957 -2.049) 5.439 2.416 ( -0.901 4.957 2.049) 5.439 2.529 ( 2.083 4.721 -0.401) 5.176 2.529 ( 2.083 4.721 0.401) 5.176 2.576 ( 3.233 2.934 -1.024) 4.485 2.576 ( 3.233 2.934 1.024) 4.485 2.632 ( -0.321 5.996 -0.484) 6.024 2.632 ( -0.321 5.996 0.484) 6.024 2.732 ( 0.073 4.014 -0.370) 4.032 2.732 ( 0.073 4.014 0.370) 4.032 3.313 ( -13.705 -2.740 -0.566) 13.987 3.313 ( -13.705 -2.740 0.566) 13.987 3.918 ( 1.867 1.877 -1.791) 3.197 3.918 ( 1.867 1.877 1.791) 3.197 4.070 ( -2.719 4.278 -3.095) 5.939 4.070 ( -2.719 4.278 3.095) 5.939 4.125 ( -1.300 0.272 -0.431) 1.396 4.125 ( -1.300 0.272 0.431) 1.396 4.168 ( -1.599 2.726 -0.775) 3.253 4.168 ( -1.599 2.726 0.775) 3.253 4.306 ( 1.772 -1.266 -0.353) 2.206 4.306 ( 1.772 -1.266 0.353) 2.206 4.356 ( 1.962 1.893 -0.450) 2.763 4.356 ( 1.962 1.893 0.450) 2.763 4.430 ( 0.580 -2.083 -1.326) 2.536 4.430 ( 0.580 -2.083 1.326) 2.536 4.573 ( -2.001 -0.830 -6.623) 6.968 4.573 ( -2.001 -0.830 6.623) 6.968 4.781 ( 0.363 1.612 -0.924) 1.893 4.781 ( 0.363 1.612 0.924) 1.893 4.860 ( 0.085 1.276 -1.314) 1.834 4.860 ( 0.085 1.276 1.314) 1.834 4.910 ( -2.251 0.992 -0.605) 2.534 4.910 ( -2.251 0.992 0.605) 2.534 4.964 ( -1.245 3.494 -1.019) 3.847 4.964 ( -1.245 3.494 1.019) 3.847 5.123 ( 4.217 -0.861 -1.032) 4.426 5.123 ( 4.217 -0.861 1.032) 4.426 5.251 ( 2.351 -2.182 -1.194) 3.422 5.251 ( 2.351 -2.182 1.194) 3.422 5.352 ( 1.200 0.359 -1.328) 1.825 5.352 ( 1.200 0.359 1.328) 1.825 5.439 ( 1.634 -2.246 -0.453) 2.814 5.439 ( 1.634 -2.246 0.453) 2.814 5.592 ( 0.292 -1.312 -0.538) 1.447 5.592 ( 0.292 -1.312 0.538) 1.447 5.742 ( -0.975 -2.924 -0.225) 3.090 5.742 ( -0.975 -2.924 0.225) 3.090 ======================= Grid point 164 (54/63) ======================= q-point: ( 0.40 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -0.726 8.532 -0.443) 8.574 0.915 ( -0.726 8.532 0.443) 8.574 0.993 ( 0.654 5.581 -0.971) 5.703 0.993 ( 0.654 5.581 0.971) 5.703 1.119 ( 1.776 5.329 -0.257) 5.623 1.119 ( 1.776 5.329 0.257) 5.623 1.239 ( 0.252 1.883 -0.075) 1.901 1.239 ( 0.252 1.883 0.075) 1.901 1.379 ( 1.875 5.175 -2.510) 6.050 1.379 ( 1.875 5.175 2.510) 6.050 1.480 ( -2.948 3.627 -2.664) 5.380 1.480 ( -2.948 3.627 2.664) 5.380 1.688 ( 2.904 4.615 -2.008) 5.811 1.688 ( 2.904 4.615 2.008) 5.811 1.719 ( -0.662 4.660 -2.761) 5.457 1.719 ( -0.662 4.660 2.761) 5.457 2.105 ( 11.060 4.786 -0.879) 12.083 2.105 ( 11.060 4.786 0.879) 12.083 2.188 ( 0.608 4.794 -1.148) 4.967 2.188 ( 0.608 4.794 1.148) 4.967 2.276 ( -0.714 0.000 -0.971) 1.206 2.276 ( -0.714 0.000 0.971) 1.206 2.343 ( -4.519 1.741 -1.730) 5.143 2.343 ( -4.519 1.741 1.730) 5.143 2.467 ( 3.350 8.729 -1.088) 9.413 2.467 ( 3.350 8.729 1.088) 9.413 2.545 ( -0.640 8.471 -1.246) 8.586 2.545 ( -0.640 8.471 1.246) 8.586 2.624 ( 0.850 3.693 -0.244) 3.797 2.624 ( 0.850 3.693 0.244) 3.797 2.664 ( 3.959 3.263 -0.569) 5.162 2.664 ( 3.959 3.263 0.569) 5.162 2.751 ( 3.904 0.736 -0.412) 3.994 2.751 ( 3.904 0.736 0.412) 3.994 2.987 ( -17.873 -2.603 -0.708) 18.076 2.987 ( -17.873 -2.603 0.708) 18.076 3.961 ( 2.224 1.473 -0.592) 2.732 3.961 ( 2.224 1.473 0.592) 2.732 4.021 ( -2.176 4.154 -1.650) 4.972 4.021 ( -2.176 4.154 1.650) 4.972 4.096 ( -1.067 -0.151 -0.154) 1.089 4.096 ( -1.067 -0.151 0.154) 1.089 4.145 ( -0.684 2.028 -0.476) 2.192 4.145 ( -0.684 2.028 0.476) 2.192 4.341 ( 1.467 -0.962 -0.102) 1.758 4.341 ( 1.467 -0.962 0.102) 1.758 4.376 ( -0.096 0.945 -0.515) 1.081 4.376 ( -0.096 0.945 0.515) 1.081 4.457 ( 2.074 0.796 -1.429) 2.642 4.457 ( 2.074 0.796 1.429) 2.642 4.528 ( -2.352 -0.387 -3.646) 4.356 4.528 ( -2.352 -0.387 3.646) 4.356 4.795 ( 1.197 1.006 -0.807) 1.760 4.795 ( 1.197 1.006 0.807) 1.760 4.833 ( -2.216 0.431 -0.740) 2.376 4.833 ( -2.216 0.431 0.740) 2.376 4.899 ( 0.502 2.983 -0.565) 3.077 4.899 ( 0.502 2.983 0.565) 3.077 4.945 ( -0.740 3.157 -0.906) 3.367 4.945 ( -0.740 3.157 0.906) 3.367 5.160 ( 0.395 0.216 -0.226) 0.504 5.160 ( 0.395 0.216 0.226) 0.504 5.304 ( 1.351 -2.231 -0.720) 2.706 5.304 ( 1.351 -2.231 0.720) 2.706 5.396 ( 3.658 -1.179 -1.297) 4.056 5.396 ( 3.658 -1.179 1.297) 4.056 5.455 ( -0.718 -2.782 -0.793) 2.981 5.455 ( -0.718 -2.782 0.793) 2.981 5.597 ( 0.176 -1.839 -0.269) 1.867 5.597 ( 0.176 -1.839 0.269) 1.867 5.725 ( -0.577 -1.904 -0.117) 1.993 5.725 ( -0.577 -1.904 0.117) 1.993 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.000 -0.731 -0.407) 0.837 0.969 ( 0.000 -0.731 0.407) 0.837 1.040 ( 0.000 1.860 -1.021) 2.122 1.040 ( 0.000 1.860 1.021) 2.122 1.247 ( 0.000 3.500 -1.526) 3.818 1.247 ( 0.000 3.500 1.526) 3.818 1.284 ( 0.000 6.828 -1.855) 7.076 1.284 ( 0.000 6.828 1.855) 7.076 1.388 ( 0.000 7.832 -0.539) 7.851 1.388 ( 0.000 7.832 0.539) 7.851 1.517 ( 0.000 0.172 -4.267) 4.271 1.517 ( 0.000 0.172 4.267) 4.271 1.651 ( 0.000 2.414 -0.796) 2.542 1.651 ( 0.000 2.414 0.796) 2.542 1.807 ( 0.000 4.309 -1.484) 4.557 1.807 ( 0.000 4.309 1.484) 4.557 1.920 ( 0.000 2.320 -0.340) 2.345 1.920 ( 0.000 2.320 0.340) 2.345 2.139 ( 0.000 -7.188 -1.060) 7.266 2.139 ( 0.000 -7.188 1.060) 7.266 2.329 ( 0.000 -0.787 -0.761) 1.095 2.329 ( 0.000 -0.787 0.761) 1.095 2.390 ( 0.000 -1.209 -1.098) 1.633 2.390 ( 0.000 -1.209 1.098) 1.633 2.478 ( 0.000 -0.763 -0.103) 0.770 2.478 ( 0.000 -0.763 0.103) 0.770 2.661 ( 0.000 9.772 -1.569) 9.897 2.661 ( 0.000 9.772 1.569) 9.897 2.697 ( 0.000 9.143 -0.453) 9.154 2.697 ( 0.000 9.143 0.453) 9.154 2.751 ( 0.000 5.560 -0.698) 5.603 2.751 ( 0.000 5.560 0.698) 5.603 2.910 ( 0.000 12.597 -1.438) 12.679 2.910 ( 0.000 12.597 1.438) 12.679 3.403 ( 0.000 -1.969 -0.533) 2.040 3.403 ( 0.000 -1.969 0.533) 2.040 3.956 ( 0.000 3.319 -2.106) 3.931 3.956 ( 0.000 3.319 2.106) 3.931 4.083 ( 0.000 -5.202 -1.434) 5.396 4.083 ( 0.000 -5.202 1.434) 5.396 4.178 ( 0.000 1.946 -0.108) 1.949 4.178 ( 0.000 1.946 0.108) 1.949 4.203 ( 0.000 -2.564 -0.273) 2.578 4.203 ( 0.000 -2.564 0.273) 2.578 4.250 ( 0.000 2.989 -2.262) 3.748 4.250 ( 0.000 2.989 2.262) 3.748 4.330 ( 0.000 -1.421 -2.028) 2.476 4.330 ( 0.000 -1.421 2.028) 2.476 4.435 ( 0.000 3.372 -1.656) 3.757 4.435 ( 0.000 3.372 1.656) 3.757 4.588 ( 0.000 -0.307 -6.033) 6.041 4.588 ( 0.000 -0.307 6.033) 6.041 4.813 ( 0.000 1.785 -1.613) 2.406 4.813 ( 0.000 1.785 1.613) 2.406 4.894 ( 0.000 1.571 -1.031) 1.879 4.894 ( 0.000 1.571 1.031) 1.879 4.934 ( 0.000 -0.726 -0.207) 0.755 4.934 ( 0.000 -0.726 0.207) 0.755 5.031 ( 0.000 0.240 -1.519) 1.538 5.031 ( 0.000 0.240 1.519) 1.538 5.066 ( 0.000 3.132 -0.055) 3.132 5.066 ( 0.000 3.132 0.055) 3.132 5.221 ( 0.000 -0.519 -1.151) 1.262 5.221 ( 0.000 -0.519 1.151) 1.262 5.325 ( 0.000 -1.651 -1.592) 2.294 5.325 ( 0.000 -1.651 1.592) 2.294 5.380 ( 0.000 -1.829 -0.425) 1.878 5.380 ( 0.000 -1.829 0.425) 1.878 5.590 ( 0.000 0.895 -0.081) 0.899 5.590 ( 0.000 0.895 0.081) 0.899 5.704 ( 0.000 -1.773 -1.531) 2.342 5.704 ( 0.000 -1.773 1.531) 2.342 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.20 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.708 -0.492 -0.479) 0.986 0.976 ( 0.708 -0.492 0.479) 0.986 1.047 ( 0.270 1.126 -0.950) 1.498 1.047 ( 0.270 1.126 0.950) 1.498 1.240 ( -0.629 4.218 -1.064) 4.395 1.240 ( -0.629 4.218 1.064) 4.395 1.279 ( -0.258 3.800 -0.770) 3.886 1.279 ( -0.258 3.800 0.770) 3.886 1.457 ( 3.367 7.584 -2.897) 8.789 1.457 ( 3.367 7.584 2.897) 8.789 1.547 ( 2.208 1.210 -4.957) 5.560 1.547 ( 2.208 1.210 4.957) 5.560 1.677 ( 4.351 3.738 -3.331) 6.633 1.677 ( 4.351 3.738 3.331) 6.633 1.805 ( -0.151 3.978 -2.523) 4.713 1.805 ( -0.151 3.978 2.523) 4.713 1.970 ( 6.247 2.287 -0.891) 6.711 1.970 ( 6.247 2.287 0.891) 6.711 2.150 ( 1.322 -5.800 -0.903) 6.016 2.150 ( 1.322 -5.800 0.903) 6.016 2.302 ( -2.999 -1.462 -0.997) 3.482 2.302 ( -2.999 -1.462 0.997) 3.482 2.378 ( -0.766 -1.436 -2.091) 2.650 2.378 ( -0.766 -1.436 2.091) 2.650 2.500 ( 2.434 -0.762 -0.626) 2.626 2.500 ( 2.434 -0.762 0.626) 2.626 2.681 ( 1.211 9.944 -0.884) 10.057 2.681 ( 1.211 9.944 0.884) 10.057 2.704 ( 0.879 7.556 -0.716) 7.640 2.704 ( 0.879 7.556 0.716) 7.640 2.757 ( 0.845 6.939 -0.171) 6.992 2.757 ( 0.845 6.939 0.171) 6.992 2.896 ( -1.355 11.890 -1.726) 12.090 2.896 ( -1.355 11.890 1.726) 12.090 3.266 ( -13.441 -1.776 -0.627) 13.573 3.266 ( -13.441 -1.776 0.627) 13.573 3.965 ( 0.897 2.545 -1.761) 3.222 3.965 ( 0.897 2.545 1.761) 3.222 4.073 ( -0.858 -4.549 -1.267) 4.800 4.073 ( -0.858 -4.549 1.267) 4.800 4.135 ( -2.553 2.321 -1.734) 3.861 4.135 ( -2.553 2.321 1.734) 3.861 4.187 ( -1.992 -0.120 -1.913) 2.764 4.187 ( -1.992 -0.120 1.913) 2.764 4.281 ( 2.766 0.911 -1.457) 3.256 4.281 ( 2.766 0.911 1.457) 3.256 4.357 ( 1.596 -0.845 -1.428) 2.302 4.357 ( 1.596 -0.845 1.428) 2.302 4.454 ( 1.752 2.786 -1.295) 3.536 4.454 ( 1.752 2.786 1.295) 3.536 4.573 ( -1.423 0.008 -4.818) 5.023 4.573 ( -1.423 0.008 4.818) 5.023 4.810 ( -0.221 1.453 -1.559) 2.143 4.810 ( -0.221 1.453 1.559) 2.143 4.876 ( -1.792 0.184 -1.453) 2.315 4.876 ( -1.792 0.184 1.453) 2.315 4.931 ( 0.384 1.328 -0.204) 1.397 4.931 ( 0.384 1.328 0.204) 1.397 5.029 ( -0.699 2.688 -1.123) 2.995 5.029 ( -0.699 2.688 1.123) 2.995 5.119 ( 4.486 0.212 -1.261) 4.664 5.119 ( 4.486 0.212 1.261) 4.664 5.221 ( 0.475 -1.009 -0.805) 1.375 5.221 ( 0.475 -1.009 0.805) 1.375 5.336 ( 0.741 -2.076 -1.514) 2.675 5.336 ( 0.741 -2.076 1.514) 2.675 5.404 ( 1.997 -1.210 -0.220) 2.346 5.404 ( 1.997 -1.210 0.220) 2.346 5.591 ( 0.020 0.885 -0.153) 0.899 5.591 ( 0.020 0.885 0.153) 0.899 5.700 ( -0.314 -1.577 -1.256) 2.040 5.700 ( -0.314 -1.577 1.256) 2.040 ======================= Grid point 174 (57/63) ======================= q-point: ( 0.40 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.617 0.596 -0.242) 0.891 0.991 ( 0.617 0.596 0.242) 0.891 1.045 ( -0.307 0.106 -0.430) 0.539 1.045 ( -0.307 0.106 0.430) 0.539 1.230 ( -0.318 3.544 -0.317) 3.572 1.230 ( -0.318 3.544 0.317) 3.572 1.274 ( -0.228 1.327 -0.160) 1.356 1.274 ( -0.228 1.327 0.160) 1.356 1.493 ( 1.064 6.217 -2.464) 6.772 1.493 ( 1.064 6.217 2.464) 6.772 1.550 ( -0.809 4.449 -2.607) 5.219 1.550 ( -0.809 4.449 2.607) 5.219 1.768 ( 2.914 3.760 -3.422) 5.860 1.768 ( 2.914 3.760 3.422) 5.860 1.798 ( -0.730 3.590 -3.478) 5.051 1.798 ( -0.730 3.590 3.478) 5.051 2.141 ( 6.108 -2.179 -0.985) 6.560 2.141 ( 6.108 -2.179 0.985) 6.560 2.219 ( 2.783 0.066 -0.151) 2.787 2.219 ( 2.783 0.066 0.151) 2.787 2.238 ( 1.809 -2.272 -0.069) 2.905 2.238 ( 1.809 -2.272 0.069) 2.905 2.353 ( -2.628 0.195 -1.400) 2.984 2.353 ( -2.628 0.195 1.400) 2.984 2.598 ( 8.832 -1.567 -0.765) 9.003 2.598 ( 8.832 -1.567 0.765) 9.003 2.691 ( 0.068 10.061 -0.269) 10.065 2.691 ( 0.068 10.061 0.269) 10.065 2.722 ( 0.903 4.542 -0.588) 4.668 2.722 ( 0.903 4.542 0.588) 4.668 2.786 ( 1.183 9.981 -0.827) 10.085 2.786 ( 1.183 9.981 0.827) 10.085 2.861 ( -2.075 9.183 -2.052) 9.635 2.861 ( -2.075 9.183 2.052) 9.635 2.945 ( -17.156 -0.477 -1.471) 17.225 2.945 ( -17.156 -0.477 1.471) 17.225 3.984 ( 0.733 0.550 -0.762) 1.191 3.984 ( 0.733 0.550 0.762) 1.191 4.058 ( -0.544 -3.129 -0.419) 3.204 4.058 ( -0.544 -3.129 0.419) 3.204 4.098 ( -1.077 4.013 -0.987) 4.271 4.098 ( -1.077 4.013 0.987) 4.271 4.156 ( -0.896 0.662 -1.081) 1.552 4.156 ( -0.896 0.662 1.081) 1.552 4.329 ( 1.793 0.305 -0.770) 1.975 4.329 ( 1.793 0.305 0.770) 1.975 4.371 ( -0.060 -0.810 -1.049) 1.327 4.371 ( -0.060 -0.810 1.049) 1.327 4.491 ( 1.785 1.717 -0.982) 2.664 4.491 ( 1.785 1.717 0.982) 2.664 4.542 ( -1.546 1.044 -2.213) 2.894 4.542 ( -1.546 1.044 2.213) 2.894 4.809 ( 0.211 0.656 -1.091) 1.291 4.809 ( 0.211 0.656 1.091) 1.291 4.842 ( -1.344 0.495 -1.053) 1.778 4.842 ( -1.344 0.495 1.053) 1.778 4.946 ( 0.820 1.865 -0.792) 2.186 4.946 ( 0.820 1.865 0.792) 2.186 5.010 ( -0.983 3.011 -1.150) 3.370 5.010 ( -0.983 3.011 1.150) 3.370 5.172 ( 0.782 0.725 -0.330) 1.116 5.172 ( 0.782 0.725 0.330) 1.116 5.249 ( 1.471 -2.895 -0.558) 3.295 5.249 ( 1.471 -2.895 0.558) 3.295 5.369 ( 2.986 -1.702 -1.146) 3.623 5.369 ( 2.986 -1.702 1.146) 3.623 5.421 ( -0.905 -1.091 -0.534) 1.514 5.421 ( -0.905 -1.091 0.534) 1.514 5.591 ( 0.001 0.875 -0.103) 0.881 5.591 ( 0.001 0.875 0.103) 0.881 5.695 ( -0.160 -1.271 -0.495) 1.373 5.695 ( -0.160 -1.271 0.495) 1.373 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 -1.741 -0.395) 1.786 0.940 ( 0.000 -1.741 0.395) 1.786 1.034 ( 0.000 -2.054 -1.127) 2.343 1.034 ( 0.000 -2.054 1.127) 2.343 1.246 ( 0.000 -2.615 -2.024) 3.307 1.246 ( 0.000 -2.615 2.024) 3.307 1.291 ( 0.000 -3.719 -0.455) 3.747 1.291 ( 0.000 -3.719 0.455) 3.747 1.522 ( 0.000 5.336 -1.237) 5.477 1.522 ( 0.000 5.336 1.237) 5.477 1.582 ( 0.000 1.958 -4.751) 5.138 1.582 ( 0.000 1.958 4.751) 5.138 1.711 ( 0.000 6.235 -0.554) 6.259 1.711 ( 0.000 6.235 0.554) 6.259 1.882 ( 0.000 3.169 -3.305) 4.579 1.882 ( 0.000 3.169 3.305) 4.579 1.966 ( 0.000 2.030 -0.078) 2.032 1.966 ( 0.000 2.030 0.078) 2.032 2.021 ( 0.000 -3.720 -0.314) 3.733 2.021 ( 0.000 -3.720 0.314) 3.733 2.291 ( 0.000 -3.764 -1.248) 3.965 2.291 ( 0.000 -3.764 1.248) 3.965 2.358 ( 0.000 -1.199 -1.199) 1.696 2.358 ( 0.000 -1.199 1.199) 1.696 2.458 ( 0.000 -1.286 -0.432) 1.357 2.458 ( 0.000 -1.286 0.432) 1.357 2.775 ( 0.000 2.999 -2.829) 4.122 2.775 ( 0.000 2.999 2.829) 4.122 2.855 ( 0.000 5.662 -1.084) 5.764 2.855 ( 0.000 5.662 1.084) 5.764 2.888 ( 0.000 8.756 -2.309) 9.055 2.888 ( 0.000 8.756 2.309) 9.055 3.111 ( 0.000 6.637 -1.130) 6.733 3.111 ( 0.000 6.637 1.130) 6.733 3.388 ( 0.000 0.518 -0.928) 1.063 3.388 ( 0.000 0.518 0.928) 1.063 3.951 ( 0.000 -4.011 -0.332) 4.024 3.951 ( 0.000 -4.011 0.332) 4.024 4.048 ( 0.000 2.763 -1.948) 3.381 4.048 ( 0.000 2.763 1.948) 3.381 4.200 ( 0.000 1.665 -0.138) 1.671 4.200 ( 0.000 1.665 0.138) 1.671 4.212 ( 0.000 1.945 -0.032) 1.945 4.212 ( 0.000 1.945 0.032) 1.945 4.288 ( 0.000 1.044 -1.861) 2.134 4.288 ( 0.000 1.044 1.861) 2.134 4.345 ( 0.000 2.547 -2.304) 3.434 4.345 ( 0.000 2.547 2.304) 3.434 4.484 ( 0.000 1.637 -1.454) 2.190 4.484 ( 0.000 1.637 1.454) 2.190 4.570 ( 0.000 -1.685 -3.190) 3.608 4.570 ( 0.000 -1.685 3.190) 3.608 4.843 ( 0.000 1.303 -1.314) 1.850 4.843 ( 0.000 1.303 1.314) 1.850 4.901 ( 0.000 -0.244 -1.046) 1.074 4.901 ( 0.000 -0.244 1.046) 1.074 4.946 ( 0.000 1.558 -0.103) 1.561 4.946 ( 0.000 1.558 0.103) 1.561 5.025 ( 0.000 -0.755 -1.129) 1.359 5.025 ( 0.000 -0.755 1.129) 1.359 5.115 ( 0.000 1.693 -0.179) 1.702 5.115 ( 0.000 1.693 0.179) 1.702 5.210 ( 0.000 -0.631 -2.156) 2.246 5.210 ( 0.000 -0.631 2.156) 2.246 5.272 ( 0.000 -3.464 -1.520) 3.783 5.272 ( 0.000 -3.464 1.520) 3.783 5.360 ( 0.000 -0.565 -0.300) 0.640 5.360 ( 0.000 -0.565 0.300) 0.640 5.611 ( 0.000 1.037 -0.312) 1.083 5.611 ( 0.000 1.037 0.312) 1.083 5.680 ( 0.000 -0.795 -1.676) 1.856 5.680 ( 0.000 -0.795 1.676) 1.856 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 1.072 -1.657 -0.361) 2.006 0.951 ( 1.072 -1.657 0.361) 2.006 1.034 ( -0.200 -2.045 -0.906) 2.245 1.034 ( -0.200 -2.045 0.906) 2.245 1.244 ( -0.268 -2.418 -1.492) 2.854 1.244 ( -0.268 -2.418 1.492) 2.854 1.273 ( -1.317 -3.344 -0.320) 3.608 1.273 ( -1.317 -3.344 0.320) 3.608 1.586 ( 1.403 2.798 -3.505) 4.700 1.586 ( 1.403 2.798 3.505) 4.700 1.620 ( 4.493 6.303 -1.295) 7.848 1.620 ( 4.493 6.303 1.295) 7.848 1.748 ( 4.937 4.370 -1.442) 6.749 1.748 ( 4.937 4.370 1.442) 6.749 1.875 ( -0.550 2.905 -3.030) 4.233 1.875 ( -0.550 2.905 3.030) 4.233 1.993 ( 2.589 -0.118 -1.002) 2.779 1.993 ( 2.589 -0.118 1.002) 2.779 2.062 ( 5.743 -1.881 -0.288) 6.050 2.062 ( 5.743 -1.881 0.288) 6.050 2.251 ( -3.833 -3.830 -0.932) 5.498 2.251 ( -3.833 -3.830 0.932) 5.498 2.356 ( 0.193 -0.571 -1.261) 1.398 2.356 ( 0.193 -0.571 1.261) 1.398 2.465 ( 0.846 -2.248 -0.229) 2.413 2.465 ( 0.846 -2.248 0.229) 2.413 2.784 ( 0.851 3.019 -2.785) 4.195 2.784 ( 0.851 3.019 2.785) 4.195 2.847 ( -0.718 5.302 -1.468) 5.548 2.847 ( -0.718 5.302 1.468) 5.548 2.925 ( 3.316 9.312 -2.238) 10.135 2.925 ( 3.316 9.312 2.238) 10.135 3.078 ( -4.124 4.759 -1.170) 6.405 3.078 ( -4.124 4.759 1.170) 6.405 3.269 ( -10.957 2.638 -1.208) 11.335 3.269 ( -10.957 2.638 1.208) 11.335 3.957 ( 0.593 -3.309 -0.398) 3.386 3.957 ( 0.593 -3.309 0.398) 3.386 4.038 ( -0.932 1.783 -1.510) 2.516 4.038 ( -0.932 1.783 1.510) 2.516 4.189 ( -0.830 3.680 -1.100) 3.930 4.189 ( -0.830 3.680 1.100) 3.930 4.209 ( -0.146 2.052 -1.187) 2.375 4.209 ( -0.146 2.052 1.187) 2.375 4.306 ( 1.452 0.928 -1.852) 2.529 4.306 ( 1.452 0.928 1.852) 2.529 4.356 ( 0.745 0.872 -1.600) 1.969 4.356 ( 0.745 0.872 1.600) 1.969 4.492 ( 0.720 1.056 -1.042) 1.649 4.492 ( 0.720 1.056 1.042) 1.649 4.562 ( -0.606 -1.161 -2.245) 2.599 4.562 ( -0.606 -1.161 2.245) 2.599 4.834 ( -0.739 1.062 -1.416) 1.918 4.834 ( -0.739 1.062 1.416) 1.918 4.876 ( -1.708 -0.043 -1.304) 2.150 4.876 ( -1.708 -0.043 1.304) 2.150 4.959 ( 0.847 1.550 -0.505) 1.837 4.959 ( 0.847 1.550 0.505) 1.837 5.055 ( 1.290 -0.000 -0.275) 1.319 5.055 ( 1.290 -0.000 0.275) 1.319 5.128 ( 2.172 0.623 -0.204) 2.269 5.128 ( 2.172 0.623 0.204) 2.269 5.206 ( -0.222 -0.681 -1.713) 1.856 5.206 ( -0.222 -0.681 1.713) 1.856 5.283 ( 1.348 -3.015 -1.411) 3.591 5.283 ( 1.348 -3.015 1.411) 3.591 5.389 ( 2.178 -0.473 -0.145) 2.233 5.389 ( 2.178 -0.473 0.145) 2.233 5.613 ( 0.143 1.145 -0.371) 1.212 5.613 ( 0.143 1.145 0.371) 1.212 5.677 ( -0.205 -0.832 -1.407) 1.647 5.677 ( -0.205 -0.832 1.407) 1.647 ======================= Grid point 184 (60/63) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 1.418 -1.361 -0.204) 1.976 0.977 ( 1.418 -1.361 0.204) 1.976 1.022 ( -0.933 -1.939 -0.288) 2.171 1.022 ( -0.933 -1.939 0.288) 2.171 1.234 ( -0.578 -2.197 -0.170) 2.278 1.234 ( -0.578 -2.197 0.170) 2.278 1.256 ( -0.347 -2.950 -0.364) 2.993 1.256 ( -0.347 -2.950 0.364) 2.993 1.606 ( 0.693 4.980 -1.665) 5.296 1.606 ( 0.693 4.980 1.665) 5.296 1.652 ( 0.182 5.651 -0.971) 5.737 1.652 ( 0.182 5.651 0.971) 5.737 1.832 ( 1.970 2.425 -2.272) 3.863 1.832 ( 1.970 2.425 2.272) 3.863 1.867 ( -0.313 3.343 -2.439) 4.150 1.867 ( -0.313 3.343 2.439) 4.150 2.052 ( 3.472 -4.955 -1.344) 6.198 2.052 ( 3.472 -4.955 1.344) 6.198 2.146 ( -3.900 -4.924 -1.090) 6.376 2.146 ( -3.900 -4.924 1.090) 6.376 2.278 ( 8.631 3.470 -0.708) 9.330 2.278 ( 8.631 3.470 0.708) 9.330 2.365 ( 0.489 0.928 -0.857) 1.355 2.365 ( 0.489 0.928 0.857) 1.355 2.533 ( 9.661 -4.221 -0.685) 10.565 2.533 ( 9.661 -4.221 0.685) 10.565 2.795 ( -2.794 2.591 -1.502) 4.096 2.795 ( -2.794 2.591 1.502) 4.096 2.825 ( -1.807 3.998 -0.570) 4.425 2.825 ( -1.807 3.998 0.570) 4.425 2.873 ( -12.694 -0.552 -0.444) 12.714 2.873 ( -12.694 -0.552 0.444) 12.714 3.008 ( 3.952 9.551 -3.385) 10.877 3.008 ( 3.952 9.551 3.385) 10.877 3.097 ( -5.383 9.734 -2.552) 11.412 3.097 ( -5.383 9.734 2.552) 11.412 3.973 ( 0.900 -1.289 -0.293) 1.599 3.973 ( 0.900 -1.289 0.293) 1.599 4.016 ( -1.142 -0.620 -0.592) 1.428 4.016 ( -1.142 -0.620 0.592) 1.428 4.181 ( -0.031 4.623 -0.801) 4.692 4.181 ( -0.031 4.623 0.801) 4.692 4.203 ( -0.309 3.806 -1.267) 4.023 4.203 ( -0.309 3.806 1.267) 4.023 4.336 ( 1.534 0.008 -1.358) 2.049 4.336 ( 1.534 0.008 1.358) 2.049 4.359 ( -0.605 -0.485 -1.498) 1.686 4.359 ( -0.605 -0.485 1.498) 1.686 4.506 ( 0.604 0.020 -0.493) 0.780 4.506 ( 0.604 0.020 0.493) 0.780 4.552 ( -0.341 -0.171 -0.655) 0.758 4.552 ( -0.341 -0.171 0.655) 0.758 4.822 ( -0.377 0.678 -0.845) 1.147 4.822 ( -0.377 0.678 0.845) 1.147 4.850 ( -0.762 0.315 -0.760) 1.121 4.850 ( -0.762 0.315 0.760) 1.121 4.976 ( 0.697 1.405 -0.691) 1.714 4.976 ( 0.697 1.405 0.691) 1.714 5.050 ( -0.787 1.033 -0.863) 1.559 5.050 ( -0.787 1.033 0.863) 1.559 5.176 ( 1.519 -0.442 -0.439) 1.642 5.176 ( 1.519 -0.442 0.439) 1.642 5.203 ( -0.179 -1.735 -0.542) 1.827 5.203 ( -0.179 -1.735 0.542) 1.827 5.339 ( 4.119 -1.301 -0.722) 4.380 5.339 ( 4.119 -1.301 0.722) 4.380 5.404 ( -1.242 -0.694 -0.210) 1.438 5.404 ( -1.242 -0.694 0.210) 1.438 5.615 ( 0.093 1.352 -0.213) 1.371 5.615 ( 0.093 1.352 0.213) 1.371 5.674 ( -0.113 -0.928 -0.574) 1.097 5.674 ( -0.113 -0.928 0.574) 1.097 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.000 -0.343 -0.212) 0.403 0.918 ( 0.000 -0.343 0.212) 0.403 0.984 ( 0.000 -2.302 -0.641) 2.390 0.984 ( 0.000 -2.302 0.641) 2.390 1.171 ( 0.000 -3.069 -1.266) 3.319 1.171 ( 0.000 -3.069 1.266) 3.319 1.242 ( 0.000 -1.248 -0.243) 1.271 1.242 ( 0.000 -1.248 0.243) 1.271 1.573 ( 0.000 -0.666 -1.100) 1.286 1.573 ( 0.000 -0.666 1.100) 1.286 1.595 ( 0.000 1.705 -0.516) 1.781 1.595 ( 0.000 1.705 0.516) 1.781 1.840 ( 0.000 4.766 -0.946) 4.859 1.840 ( 0.000 4.766 0.946) 4.859 1.916 ( 0.000 0.320 -1.427) 1.463 1.916 ( 0.000 0.320 1.427) 1.463 1.969 ( 0.000 -0.094 -0.570) 0.578 1.969 ( 0.000 -0.094 0.570) 0.578 2.029 ( 0.000 2.200 -0.347) 2.227 2.029 ( 0.000 2.200 0.347) 2.227 2.198 ( 0.000 -4.427 -0.897) 4.516 2.198 ( 0.000 -4.427 0.897) 4.516 2.351 ( 0.000 0.035 -0.491) 0.492 2.351 ( 0.000 0.035 0.491) 0.492 2.436 ( 0.000 -0.724 -0.300) 0.783 2.436 ( 0.000 -0.724 0.300) 0.783 2.810 ( 0.000 0.844 -1.313) 1.561 2.810 ( 0.000 0.844 1.313) 1.561 2.928 ( 0.000 1.950 -0.575) 2.033 2.928 ( 0.000 1.950 0.575) 2.033 3.017 ( 0.000 3.723 -0.983) 3.851 3.017 ( 0.000 3.723 0.983) 3.851 3.173 ( 0.000 0.917 -0.403) 1.001 3.173 ( 0.000 0.917 0.403) 1.001 3.406 ( 0.000 0.665 -0.606) 0.900 3.406 ( 0.000 0.665 0.606) 0.900 3.896 ( 0.000 -1.395 -0.175) 1.406 3.896 ( 0.000 -1.395 0.175) 1.406 4.096 ( 0.000 1.557 -0.708) 1.711 4.096 ( 0.000 1.557 0.708) 1.711 4.229 ( 0.000 0.932 -0.184) 0.950 4.229 ( 0.000 0.932 0.184) 0.950 4.248 ( 0.000 1.039 -0.196) 1.058 4.248 ( 0.000 1.039 0.196) 1.058 4.304 ( 0.000 0.511 -1.113) 1.225 4.304 ( 0.000 0.511 1.113) 1.225 4.415 ( 0.000 4.170 -1.317) 4.373 4.415 ( 0.000 4.170 1.317) 4.373 4.502 ( 0.000 0.348 -0.799) 0.871 4.502 ( 0.000 0.348 0.799) 0.871 4.523 ( 0.000 -2.890 -0.523) 2.937 4.523 ( 0.000 -2.890 0.523) 2.937 4.866 ( 0.000 1.099 -0.540) 1.224 4.866 ( 0.000 1.099 0.540) 1.224 4.896 ( 0.000 -0.400 -0.442) 0.596 4.896 ( 0.000 -0.400 0.442) 0.596 4.977 ( 0.000 1.461 -0.217) 1.477 4.977 ( 0.000 1.461 0.217) 1.477 5.006 ( 0.000 -1.110 -0.549) 1.238 5.006 ( 0.000 -1.110 0.549) 1.238 5.128 ( 0.000 -0.189 -0.294) 0.349 5.128 ( 0.000 -0.189 0.294) 0.349 5.200 ( 0.000 -0.180 -2.183) 2.191 5.200 ( 0.000 -0.180 2.183) 2.191 5.214 ( 0.000 -1.910 -1.871) 2.674 5.214 ( 0.000 -1.910 1.871) 2.674 5.353 ( 0.000 -0.166 -0.144) 0.220 5.353 ( 0.000 -0.166 0.144) 0.220 5.626 ( 0.000 0.415 -0.260) 0.490 5.626 ( 0.000 0.415 0.260) 0.490 5.670 ( 0.000 -0.226 -0.771) 0.804 5.670 ( 0.000 -0.226 0.771) 0.804 ======================= Grid point 192 (62/63) ======================= q-point: ( 0.20 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 1.075 -0.461 -0.354) 1.222 0.928 ( 1.075 -0.461 0.354) 1.222 0.989 ( 0.328 -1.924 -0.609) 2.045 0.989 ( 0.328 -1.924 0.609) 2.045 1.175 ( 0.354 -2.833 -1.056) 3.044 1.175 ( 0.354 -2.833 1.056) 3.044 1.226 ( -1.392 -1.315 -0.153) 1.921 1.226 ( -1.392 -1.315 0.153) 1.921 1.604 ( 3.074 0.003 -1.285) 3.332 1.604 ( 3.074 0.003 1.285) 3.332 1.701 ( 7.090 1.865 -0.532) 7.350 1.701 ( 7.090 1.865 0.532) 7.350 1.839 ( 0.196 3.905 -0.456) 3.936 1.839 ( 0.196 3.905 0.456) 3.936 1.902 ( -0.872 -0.039 -1.263) 1.535 1.902 ( -0.872 -0.039 1.263) 1.535 2.008 ( 1.507 2.062 -0.492) 2.600 2.008 ( 1.507 2.062 0.492) 2.600 2.048 ( 4.340 -0.982 -0.618) 4.493 2.048 ( 4.340 -0.982 0.618) 4.493 2.174 ( -0.559 -3.039 -0.676) 3.163 2.174 ( -0.559 -3.039 0.676) 3.163 2.355 ( 0.573 0.191 -0.449) 0.753 2.355 ( 0.573 0.191 0.449) 0.753 2.429 ( -0.668 -1.212 -0.211) 1.400 2.429 ( -0.668 -1.212 0.211) 1.400 2.821 ( 1.053 0.904 -1.243) 1.863 2.821 ( 1.053 0.904 1.243) 1.863 2.915 ( -1.183 1.798 -0.729) 2.273 2.915 ( -1.183 1.798 0.729) 2.273 3.059 ( 3.604 3.896 -0.712) 5.355 3.059 ( 3.604 3.896 0.712) 5.355 3.107 ( -8.022 -0.054 -0.539) 8.041 3.107 ( -8.022 -0.054 0.539) 8.041 3.325 ( -6.387 1.826 -0.815) 6.692 3.325 ( -6.387 1.826 0.815) 6.692 3.912 ( 1.622 -1.108 -0.203) 1.975 3.912 ( 1.622 -1.108 0.203) 1.975 4.074 ( -2.188 1.246 -0.443) 2.557 4.074 ( -2.188 1.246 0.443) 2.557 4.242 ( 1.240 1.149 -0.262) 1.711 4.242 ( 1.240 1.149 0.262) 1.711 4.259 ( 0.864 2.494 -0.114) 2.642 4.259 ( 0.864 2.494 0.114) 2.642 4.310 ( 0.614 -0.460 -0.955) 1.225 4.310 ( 0.614 -0.460 0.955) 1.225 4.391 ( -2.092 2.245 -1.167) 3.283 4.391 ( -2.092 2.245 1.167) 3.283 4.501 ( 0.026 0.120 -0.616) 0.628 4.501 ( 0.026 0.120 0.616) 0.628 4.531 ( 0.489 -1.685 -0.717) 1.896 4.531 ( 0.489 -1.685 0.717) 1.896 4.854 ( -1.077 1.052 -0.627) 1.631 4.854 ( -1.077 1.052 0.627) 1.631 4.872 ( -1.532 -0.495 -0.557) 1.704 4.872 ( -1.532 -0.495 0.557) 1.704 4.987 ( 0.751 1.172 -0.325) 1.430 4.987 ( 0.751 1.172 0.325) 1.430 5.041 ( 1.902 -1.000 -0.141) 2.153 5.041 ( 1.902 -1.000 0.141) 2.153 5.136 ( 1.267 0.134 -0.262) 1.301 5.136 ( 1.267 0.134 0.262) 1.301 5.195 ( -0.504 -0.291 -1.019) 1.173 5.195 ( -0.504 -0.291 1.019) 1.173 5.234 ( 2.601 -1.602 -0.876) 3.178 5.234 ( 2.601 -1.602 0.876) 3.178 5.383 ( 2.156 -0.156 -0.096) 2.164 5.383 ( 2.156 -0.156 0.096) 2.164 5.629 ( 0.343 0.487 -0.329) 0.681 5.629 ( 0.343 0.487 0.329) 0.681 5.667 ( -0.363 -0.300 -0.714) 0.856 5.667 ( -0.363 -0.300 0.714) 0.856 ======================= Grid point 194 (63/63) ======================= q-point: ( 0.40 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 1.636 -0.526 -0.380) 1.760 0.957 ( 1.636 -0.526 0.380) 1.760 0.986 ( -0.704 -1.338 -0.393) 1.562 0.986 ( -0.704 -1.338 0.393) 1.562 1.183 ( 0.413 -2.108 -0.580) 2.225 1.183 ( 0.413 -2.108 0.580) 2.225 1.200 ( -1.080 -1.852 -0.248) 2.158 1.200 ( -1.080 -1.852 0.248) 2.158 1.678 ( 3.988 2.310 -0.767) 4.672 1.678 ( 3.988 2.310 0.767) 4.672 1.746 ( -1.410 3.252 -0.558) 3.588 1.746 ( -1.410 3.252 0.558) 3.588 1.851 ( 0.551 0.413 -0.522) 0.864 1.851 ( 0.551 0.413 0.522) 0.864 1.890 ( -0.436 -1.571 -1.066) 1.947 1.890 ( -0.436 -1.571 1.066) 1.947 2.011 ( -0.052 1.229 -0.256) 1.256 2.011 ( -0.052 1.229 0.256) 1.256 2.061 ( -1.928 -3.416 -0.514) 3.956 2.061 ( -1.928 -3.416 0.514) 3.956 2.350 ( 6.384 3.652 -0.568) 7.377 2.350 ( 6.384 3.652 0.568) 7.377 2.383 ( 3.377 1.032 -0.250) 3.540 2.383 ( 3.377 1.032 0.250) 3.540 2.447 ( 10.704 -4.506 -0.806) 11.641 2.447 ( 10.704 -4.506 0.806) 11.641 2.810 ( -14.719 -0.353 -0.549) 14.734 2.810 ( -14.719 -0.353 0.549) 14.734 2.863 ( -2.629 0.847 -0.655) 2.839 2.863 ( -2.629 0.847 0.655) 2.839 2.889 ( -2.096 1.048 -0.670) 2.438 2.889 ( -2.096 1.048 0.670) 2.438 3.143 ( 4.386 3.758 -1.333) 5.927 3.143 ( 4.386 3.758 1.333) 5.927 3.225 ( -4.235 3.282 -1.149) 5.480 3.225 ( -4.235 3.282 1.149) 5.480 3.956 ( 2.893 -0.303 -0.205) 2.916 3.956 ( 2.893 -0.303 0.205) 2.916 4.019 ( -3.232 0.424 -0.181) 3.265 4.019 ( -3.232 0.424 0.181) 3.265 4.266 ( 0.688 3.618 -0.892) 3.790 4.266 ( 0.688 3.618 0.892) 3.790 4.274 ( 0.938 2.869 -1.236) 3.262 4.274 ( 0.938 2.869 1.236) 3.262 4.323 ( 0.734 -1.505 -0.950) 1.925 4.323 ( 0.734 -1.505 0.950) 1.925 4.349 ( -1.972 -0.471 -1.182) 2.347 4.349 ( -1.972 -0.471 1.182) 2.347 4.506 ( 0.439 0.386 -0.281) 0.649 4.506 ( 0.439 0.386 0.281) 0.649 4.534 ( -0.122 -1.422 -0.526) 1.521 4.534 ( -0.122 -1.422 0.526) 1.521 4.836 ( -0.536 0.825 -0.379) 1.054 4.836 ( -0.536 0.825 0.379) 1.054 4.850 ( -0.651 -0.427 -0.324) 0.843 4.850 ( -0.651 -0.427 0.324) 0.843 5.004 ( 0.810 1.523 -0.466) 1.787 5.004 ( 0.810 1.523 0.466) 1.787 5.046 ( -0.602 -1.202 -0.447) 1.417 5.046 ( -0.602 -1.202 0.447) 1.417 5.165 ( 1.195 -0.257 -0.297) 1.258 5.165 ( 1.195 -0.257 0.297) 1.258 5.183 ( -0.720 -0.506 -0.451) 0.989 5.183 ( -0.720 -0.506 0.451) 0.989 5.320 ( 5.373 -0.567 -0.250) 5.408 5.320 ( 5.373 -0.567 0.250) 5.408 5.395 ( -1.619 -0.242 -0.084) 1.639 5.395 ( -1.619 -0.242 0.084) 1.639 5.637 ( 0.374 0.829 -0.301) 0.958 5.637 ( 0.374 0.829 0.301) 0.958 5.658 ( -0.378 -0.649 -0.433) 0.867 5.658 ( -0.378 -0.649 0.433) 0.867 =================== 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 3/18720 10.0 18.239 60.442 40.389 0.000 0.000 -0.000 3/18720 20.0 5.158 15.839 8.263 0.000 0.000 -0.000 3/18720 30.0 3.401 8.645 4.079 0.000 0.000 -0.000 3/18720 40.0 2.711 5.985 2.665 0.000 0.000 -0.000 3/18720 50.0 2.275 4.593 1.974 0.000 0.000 -0.000 3/18720 60.0 1.958 3.735 1.570 0.000 0.000 -0.000 3/18720 70.0 1.716 3.153 1.305 0.000 0.000 -0.000 3/18720 80.0 1.526 2.732 1.119 0.000 0.000 -0.000 3/18720 90.0 1.373 2.412 0.980 0.000 0.000 -0.000 3/18720 100.0 1.247 2.161 0.873 0.000 0.000 -0.000 3/18720 110.0 1.142 1.959 0.788 0.000 0.000 -0.000 3/18720 120.0 1.053 1.792 0.718 0.000 0.000 -0.000 3/18720 130.0 0.976 1.651 0.660 0.000 0.000 -0.000 3/18720 140.0 0.910 1.532 0.611 0.000 0.000 -0.000 3/18720 150.0 0.853 1.429 0.569 0.000 0.000 -0.000 3/18720 160.0 0.802 1.339 0.532 0.000 0.000 -0.000 3/18720 170.0 0.756 1.259 0.500 0.000 0.000 -0.000 3/18720 180.0 0.716 1.189 0.472 0.000 0.000 -0.000 3/18720 190.0 0.680 1.126 0.446 0.000 0.000 -0.000 3/18720 200.0 0.647 1.070 0.424 0.000 0.000 -0.000 3/18720 210.0 0.617 1.019 0.403 0.000 0.000 -0.000 3/18720 220.0 0.590 0.973 0.384 0.000 0.000 -0.000 3/18720 230.0 0.565 0.930 0.368 0.000 0.000 -0.000 3/18720 240.0 0.542 0.892 0.352 0.000 0.000 -0.000 3/18720 250.0 0.521 0.856 0.338 0.000 0.000 -0.000 3/18720 260.0 0.501 0.823 0.325 0.000 0.000 -0.000 3/18720 270.0 0.483 0.793 0.313 0.000 0.000 -0.000 3/18720 280.0 0.466 0.764 0.301 0.000 0.000 -0.000 3/18720 290.0 0.450 0.738 0.291 0.000 0.000 -0.000 3/18720 300.0 0.436 0.714 0.281 0.000 0.000 -0.000 3/18720 310.0 0.422 0.691 0.272 0.000 0.000 -0.000 3/18720 320.0 0.409 0.669 0.263 0.000 0.000 -0.000 3/18720 330.0 0.397 0.649 0.255 0.000 0.000 -0.000 3/18720 340.0 0.385 0.630 0.248 0.000 0.000 -0.000 3/18720 350.0 0.374 0.612 0.241 0.000 0.000 -0.000 3/18720 360.0 0.364 0.595 0.234 0.000 0.000 -0.000 3/18720 370.0 0.354 0.579 0.228 0.000 0.000 -0.000 3/18720 380.0 0.345 0.564 0.222 0.000 0.000 -0.000 3/18720 390.0 0.336 0.549 0.216 0.000 0.000 -0.000 3/18720 400.0 0.328 0.536 0.211 0.000 0.000 -0.000 3/18720 410.0 0.320 0.523 0.206 0.000 0.000 -0.000 3/18720 420.0 0.313 0.510 0.201 0.000 0.000 -0.000 3/18720 430.0 0.305 0.498 0.196 0.000 0.000 -0.000 3/18720 440.0 0.299 0.487 0.191 0.000 0.000 -0.000 3/18720 450.0 0.292 0.476 0.187 0.000 0.000 -0.000 3/18720 460.0 0.286 0.466 0.183 0.000 0.000 -0.000 3/18720 470.0 0.280 0.456 0.179 0.000 0.000 -0.000 3/18720 480.0 0.274 0.447 0.176 0.000 0.000 -0.000 3/18720 490.0 0.268 0.438 0.172 0.000 0.000 -0.000 3/18720 500.0 0.263 0.429 0.168 0.000 0.000 -0.000 3/18720 510.0 0.258 0.420 0.165 0.000 0.000 -0.000 3/18720 520.0 0.253 0.412 0.162 0.000 0.000 -0.000 3/18720 530.0 0.248 0.405 0.159 0.000 0.000 -0.000 3/18720 540.0 0.244 0.397 0.156 0.000 0.000 -0.000 3/18720 550.0 0.239 0.390 0.153 0.000 0.000 -0.000 3/18720 560.0 0.235 0.383 0.150 0.000 0.000 -0.000 3/18720 570.0 0.231 0.376 0.148 0.000 0.000 -0.000 3/18720 580.0 0.227 0.370 0.145 0.000 0.000 -0.000 3/18720 590.0 0.223 0.364 0.143 0.000 0.000 -0.000 3/18720 600.0 0.220 0.358 0.140 0.000 0.000 -0.000 3/18720 610.0 0.216 0.352 0.138 0.000 0.000 -0.000 3/18720 620.0 0.213 0.346 0.136 0.000 0.000 -0.000 3/18720 630.0 0.209 0.341 0.134 0.000 0.000 -0.000 3/18720 640.0 0.206 0.335 0.132 0.000 0.000 -0.000 3/18720 650.0 0.203 0.330 0.130 0.000 0.000 -0.000 3/18720 660.0 0.200 0.325 0.128 0.000 0.000 -0.000 3/18720 670.0 0.197 0.320 0.126 0.000 0.000 -0.000 3/18720 680.0 0.194 0.316 0.124 0.000 0.000 -0.000 3/18720 690.0 0.191 0.311 0.122 0.000 0.000 -0.000 3/18720 700.0 0.188 0.307 0.120 0.000 0.000 -0.000 3/18720 710.0 0.186 0.302 0.119 0.000 0.000 -0.000 3/18720 720.0 0.183 0.298 0.117 0.000 0.000 -0.000 3/18720 730.0 0.181 0.294 0.115 0.000 0.000 -0.000 3/18720 740.0 0.178 0.290 0.114 0.000 0.000 -0.000 3/18720 750.0 0.176 0.286 0.112 0.000 0.000 -0.000 3/18720 760.0 0.174 0.282 0.111 0.000 0.000 -0.000 3/18720 770.0 0.171 0.279 0.109 0.000 0.000 -0.000 3/18720 780.0 0.169 0.275 0.108 0.000 0.000 -0.000 3/18720 790.0 0.167 0.272 0.107 0.000 0.000 -0.000 3/18720 800.0 0.165 0.268 0.105 0.000 0.000 -0.000 3/18720 810.0 0.163 0.265 0.104 0.000 0.000 -0.000 3/18720 820.0 0.161 0.262 0.103 0.000 0.000 -0.000 3/18720 830.0 0.159 0.259 0.102 0.000 0.000 -0.000 3/18720 840.0 0.157 0.256 0.100 0.000 0.000 -0.000 3/18720 850.0 0.155 0.253 0.099 0.000 0.000 -0.000 3/18720 860.0 0.154 0.250 0.098 0.000 0.000 -0.000 3/18720 870.0 0.152 0.247 0.097 0.000 0.000 -0.000 3/18720 880.0 0.150 0.244 0.096 0.000 0.000 -0.000 3/18720 890.0 0.148 0.241 0.095 0.000 0.000 -0.000 3/18720 900.0 0.147 0.239 0.094 0.000 0.000 -0.000 3/18720 910.0 0.145 0.236 0.093 0.000 0.000 -0.000 3/18720 920.0 0.144 0.233 0.092 0.000 0.000 -0.000 3/18720 930.0 0.142 0.231 0.091 0.000 0.000 -0.000 3/18720 940.0 0.141 0.228 0.090 0.000 0.000 -0.000 3/18720 950.0 0.139 0.226 0.089 0.000 0.000 -0.000 3/18720 960.0 0.138 0.224 0.088 0.000 0.000 -0.000 3/18720 970.0 0.136 0.221 0.087 0.000 0.000 -0.000 3/18720 980.0 0.135 0.219 0.086 0.000 0.000 -0.000 3/18720 990.0 0.133 0.217 0.085 0.000 0.000 -0.000 3/18720 1000.0 0.132 0.215 0.084 0.000 0.000 -0.000 3/18720 Thermal conductivity related properties were written into "kappa-m5134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:29:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|