----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:29:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.226541835000001 7.211886560000000 b 3.057194930000000 0.000000000000000 7.211886560000000 c 3.057194930000000 5.226541835000001 0.000000000000000 Atomic positions (fractional): *1 Ni 0.00000000000000 0.00000000000000 0.50000000000000 58.693 *2 Ni 0.00000000000000 0.00000000000000 0.00000000000000 58.693 3 Ni 0.50000000000000 0.50000000000000 0.00000000000000 58.693 *4 Se 0.27166641006270 0.93684313701865 0.06315686298135 78.960 5 Se 0.72833358993730 0.06315686298135 0.93684313701865 78.960 6 Se 0.06315686298135 0.72833358993730 0.27166641006270 78.960 7 Se 0.93684313701865 0.27166641006270 0.72833358993730 78.960 *8 Cs 0.34298343918714 0.34298343918714 0.65701656081286 132.905 9 Cs 0.65701656081286 0.65701656081286 0.34298343918714 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.114389860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.453083670000002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.423773120000000 Atomic positions (fractional): *1 Ni 0.75000000000000 0.75000000000000 0.00000000000000 58.693 > 1 *2 Ni 0.00000000000000 0.00000000000000 0.00000000000000 58.693 > 2 3 Ni 0.75000000000000 0.25000000000000 0.00000000000000 58.693 > 3 4 Ni 0.75000000000000 0.25000000000000 0.50000000000000 58.693 > 1 5 Ni 0.00000000000000 0.50000000000000 0.50000000000000 58.693 > 2 6 Ni 0.75000000000000 0.75000000000000 0.50000000000000 58.693 > 3 7 Ni 0.25000000000000 0.75000000000000 0.50000000000000 58.693 > 1 8 Ni 0.50000000000000 0.00000000000000 0.50000000000000 58.693 > 2 9 Ni 0.25000000000000 0.25000000000000 0.50000000000000 58.693 > 3 10 Ni 0.25000000000000 0.25000000000000 0.00000000000000 58.693 > 1 11 Ni 0.50000000000000 0.50000000000000 0.00000000000000 58.693 > 2 12 Ni 0.25000000000000 0.75000000000000 0.00000000000000 58.693 > 3 *13 Se 0.50000000000000 0.66741163652203 0.10425477354067 78.960 > 4 14 Se 0.00000000000000 0.33258836347797 0.39574522645933 78.960 > 5 15 Se 0.00000000000000 0.66741163652203 0.39574522645933 78.960 > 6 16 Se 0.50000000000000 0.33258836347797 0.10425477354067 78.960 > 7 17 Se 0.50000000000000 0.16741163652203 0.60425477354067 78.960 > 4 18 Se 0.00000000000000 0.83258836347797 0.89574522645933 78.960 > 5 19 Se 0.00000000000000 0.16741163652203 0.89574522645933 78.960 > 6 20 Se 0.50000000000000 0.83258836347797 0.60425477354067 78.960 > 7 21 Se 0.00000000000000 0.66741163652203 0.60425477354067 78.960 > 4 22 Se 0.50000000000000 0.33258836347797 0.89574522645933 78.960 > 5 23 Se 0.50000000000000 0.66741163652203 0.89574522645933 78.960 > 6 24 Se 0.00000000000000 0.33258836347797 0.60425477354067 78.960 > 7 25 Se 0.00000000000000 0.16741163652203 0.10425477354067 78.960 > 4 26 Se 0.50000000000000 0.83258836347797 0.39574522645933 78.960 > 5 27 Se 0.50000000000000 0.16741163652203 0.39574522645933 78.960 > 6 28 Se 0.00000000000000 0.83258836347797 0.10425477354067 78.960 > 7 *29 Cs 0.00000000000000 0.00000000000000 0.34298343918714 132.905 > 8 30 Cs 0.50000000000000 0.00000000000000 0.15701656081286 132.905 > 9 31 Cs 0.00000000000000 0.50000000000000 0.84298343918714 132.905 > 8 32 Cs 0.50000000000000 0.50000000000000 0.65701656081286 132.905 > 9 33 Cs 0.50000000000000 0.00000000000000 0.84298343918714 132.905 > 8 34 Cs 0.00000000000000 0.00000000000000 0.65701656081286 132.905 > 9 35 Cs 0.50000000000000 0.50000000000000 0.34298343918714 132.905 > 8 36 Cs 0.00000000000000 0.50000000000000 0.15701656081286 132.905 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.228779720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 20.906167340000003 0.000000000000000 c 0.000000000000000 0.000000000000000 14.423773120000000 Atomic positions (fractional): *1 Ni 0.37500000000000 0.37500000000000 0.00000000000000 58.693 > 1 2 Ni 0.87500000000000 0.37500000000000 0.00000000000000 58.693 > 1 3 Ni 0.37500000000000 0.87500000000000 0.00000000000000 58.693 > 1 4 Ni 0.87500000000000 0.87500000000000 0.00000000000000 58.693 > 1 *5 Ni 0.00000000000000 0.00000000000000 0.00000000000000 58.693 > 2 6 Ni 0.50000000000000 0.00000000000000 0.00000000000000 58.693 > 2 7 Ni 0.00000000000000 0.50000000000000 0.00000000000000 58.693 > 2 8 Ni 0.50000000000000 0.50000000000000 0.00000000000000 58.693 > 2 9 Ni 0.37500000000000 0.12500000000000 0.00000000000000 58.693 > 3 10 Ni 0.87500000000000 0.12500000000000 0.00000000000000 58.693 > 3 11 Ni 0.37500000000000 0.62500000000000 0.00000000000000 58.693 > 3 12 Ni 0.87500000000000 0.62500000000000 0.00000000000000 58.693 > 3 13 Ni 0.37500000000000 0.12500000000000 0.50000000000000 58.693 > 1 14 Ni 0.87500000000000 0.12500000000000 0.50000000000000 58.693 > 1 15 Ni 0.37500000000000 0.62500000000000 0.50000000000000 58.693 > 1 16 Ni 0.87500000000000 0.62500000000000 0.50000000000000 58.693 > 1 17 Ni 0.00000000000000 0.25000000000000 0.50000000000000 58.693 > 2 18 Ni 0.50000000000000 0.25000000000000 0.50000000000000 58.693 > 2 19 Ni 0.00000000000000 0.75000000000000 0.50000000000000 58.693 > 2 20 Ni 0.50000000000000 0.75000000000000 0.50000000000000 58.693 > 2 21 Ni 0.37500000000000 0.37500000000000 0.50000000000000 58.693 > 3 22 Ni 0.87500000000000 0.37500000000000 0.50000000000000 58.693 > 3 23 Ni 0.37500000000000 0.87500000000000 0.50000000000000 58.693 > 3 24 Ni 0.87500000000000 0.87500000000000 0.50000000000000 58.693 > 3 25 Ni 0.12500000000000 0.37500000000000 0.50000000000000 58.693 > 1 26 Ni 0.62500000000000 0.37500000000000 0.50000000000000 58.693 > 1 27 Ni 0.12500000000000 0.87500000000000 0.50000000000000 58.693 > 1 28 Ni 0.62500000000000 0.87500000000000 0.50000000000000 58.693 > 1 29 Ni 0.25000000000000 0.00000000000000 0.50000000000000 58.693 > 2 30 Ni 0.75000000000000 0.00000000000000 0.50000000000000 58.693 > 2 31 Ni 0.25000000000000 0.50000000000000 0.50000000000000 58.693 > 2 32 Ni 0.75000000000000 0.50000000000000 0.50000000000000 58.693 > 2 33 Ni 0.12500000000000 0.12500000000000 0.50000000000000 58.693 > 3 34 Ni 0.62500000000000 0.12500000000000 0.50000000000000 58.693 > 3 35 Ni 0.12500000000000 0.62500000000000 0.50000000000000 58.693 > 3 36 Ni 0.62500000000000 0.62500000000000 0.50000000000000 58.693 > 3 37 Ni 0.12500000000000 0.12500000000000 0.00000000000000 58.693 > 1 38 Ni 0.62500000000000 0.12500000000000 0.00000000000000 58.693 > 1 39 Ni 0.12500000000000 0.62500000000000 0.00000000000000 58.693 > 1 40 Ni 0.62500000000000 0.62500000000000 0.00000000000000 58.693 > 1 41 Ni 0.25000000000000 0.25000000000000 0.00000000000000 58.693 > 2 42 Ni 0.75000000000000 0.25000000000000 0.00000000000000 58.693 > 2 43 Ni 0.25000000000000 0.75000000000000 0.00000000000000 58.693 > 2 44 Ni 0.75000000000000 0.75000000000000 0.00000000000000 58.693 > 2 45 Ni 0.12500000000000 0.37500000000000 0.00000000000000 58.693 > 3 46 Ni 0.62500000000000 0.37500000000000 0.00000000000000 58.693 > 3 47 Ni 0.12500000000000 0.87500000000000 0.00000000000000 58.693 > 3 48 Ni 0.62500000000000 0.87500000000000 0.00000000000000 58.693 > 3 *49 Se 0.25000000000000 0.33370581826101 0.10425477354067 78.960 > 4 50 Se 0.75000000000000 0.33370581826101 0.10425477354067 78.960 > 4 51 Se 0.25000000000000 0.83370581826101 0.10425477354067 78.960 > 4 52 Se 0.75000000000000 0.83370581826101 0.10425477354067 78.960 > 4 53 Se 0.00000000000000 0.16629418173899 0.39574522645933 78.960 > 5 54 Se 0.50000000000000 0.16629418173899 0.39574522645933 78.960 > 5 55 Se 0.00000000000000 0.66629418173899 0.39574522645933 78.960 > 5 56 Se 0.50000000000000 0.66629418173899 0.39574522645933 78.960 > 5 57 Se 0.00000000000000 0.33370581826101 0.39574522645933 78.960 > 6 58 Se 0.50000000000000 0.33370581826101 0.39574522645933 78.960 > 6 59 Se 0.00000000000000 0.83370581826101 0.39574522645933 78.960 > 6 60 Se 0.50000000000000 0.83370581826101 0.39574522645933 78.960 > 6 61 Se 0.25000000000000 0.16629418173899 0.10425477354067 78.960 > 7 62 Se 0.75000000000000 0.16629418173899 0.10425477354067 78.960 > 7 63 Se 0.25000000000000 0.66629418173899 0.10425477354067 78.960 > 7 64 Se 0.75000000000000 0.66629418173899 0.10425477354067 78.960 > 7 65 Se 0.25000000000000 0.08370581826101 0.60425477354067 78.960 > 4 66 Se 0.75000000000000 0.08370581826101 0.60425477354067 78.960 > 4 67 Se 0.25000000000000 0.58370581826101 0.60425477354067 78.960 > 4 68 Se 0.75000000000000 0.58370581826101 0.60425477354067 78.960 > 4 69 Se 0.00000000000000 0.41629418173899 0.89574522645933 78.960 > 5 70 Se 0.50000000000000 0.41629418173899 0.89574522645933 78.960 > 5 71 Se 0.00000000000000 0.91629418173899 0.89574522645933 78.960 > 5 72 Se 0.50000000000000 0.91629418173899 0.89574522645933 78.960 > 5 73 Se 0.00000000000000 0.08370581826101 0.89574522645933 78.960 > 6 74 Se 0.50000000000000 0.08370581826101 0.89574522645933 78.960 > 6 75 Se 0.00000000000000 0.58370581826101 0.89574522645933 78.960 > 6 76 Se 0.50000000000000 0.58370581826101 0.89574522645933 78.960 > 6 77 Se 0.25000000000000 0.41629418173899 0.60425477354067 78.960 > 7 78 Se 0.75000000000000 0.41629418173899 0.60425477354067 78.960 > 7 79 Se 0.25000000000000 0.91629418173899 0.60425477354067 78.960 > 7 80 Se 0.75000000000000 0.91629418173899 0.60425477354067 78.960 > 7 81 Se 0.00000000000000 0.33370581826101 0.60425477354067 78.960 > 4 82 Se 0.50000000000000 0.33370581826101 0.60425477354067 78.960 > 4 83 Se 0.00000000000000 0.83370581826101 0.60425477354067 78.960 > 4 84 Se 0.50000000000000 0.83370581826101 0.60425477354067 78.960 > 4 85 Se 0.25000000000000 0.16629418173899 0.89574522645933 78.960 > 5 86 Se 0.75000000000000 0.16629418173899 0.89574522645933 78.960 > 5 87 Se 0.25000000000000 0.66629418173899 0.89574522645933 78.960 > 5 88 Se 0.75000000000000 0.66629418173899 0.89574522645933 78.960 > 5 89 Se 0.25000000000000 0.33370581826101 0.89574522645933 78.960 > 6 90 Se 0.75000000000000 0.33370581826101 0.89574522645933 78.960 > 6 91 Se 0.25000000000000 0.83370581826101 0.89574522645933 78.960 > 6 92 Se 0.75000000000000 0.83370581826101 0.89574522645933 78.960 > 6 93 Se 0.00000000000000 0.16629418173899 0.60425477354067 78.960 > 7 94 Se 0.50000000000000 0.16629418173899 0.60425477354067 78.960 > 7 95 Se 0.00000000000000 0.66629418173899 0.60425477354067 78.960 > 7 96 Se 0.50000000000000 0.66629418173899 0.60425477354067 78.960 > 7 97 Se 0.00000000000000 0.08370581826101 0.10425477354067 78.960 > 4 98 Se 0.50000000000000 0.08370581826101 0.10425477354067 78.960 > 4 99 Se 0.00000000000000 0.58370581826101 0.10425477354067 78.960 > 4 100 Se 0.50000000000000 0.58370581826101 0.10425477354067 78.960 > 4 101 Se 0.25000000000000 0.41629418173899 0.39574522645933 78.960 > 5 102 Se 0.75000000000000 0.41629418173899 0.39574522645933 78.960 > 5 103 Se 0.25000000000000 0.91629418173899 0.39574522645933 78.960 > 5 104 Se 0.75000000000000 0.91629418173899 0.39574522645933 78.960 > 5 105 Se 0.25000000000000 0.08370581826101 0.39574522645933 78.960 > 6 106 Se 0.75000000000000 0.08370581826101 0.39574522645933 78.960 > 6 107 Se 0.25000000000000 0.58370581826101 0.39574522645933 78.960 > 6 108 Se 0.75000000000000 0.58370581826101 0.39574522645933 78.960 > 6 109 Se 0.00000000000000 0.41629418173899 0.10425477354067 78.960 > 7 110 Se 0.50000000000000 0.41629418173899 0.10425477354067 78.960 > 7 111 Se 0.00000000000000 0.91629418173899 0.10425477354067 78.960 > 7 112 Se 0.50000000000000 0.91629418173899 0.10425477354067 78.960 > 7 *113 Cs 0.00000000000000 0.00000000000000 0.34298343918714 132.905 > 8 114 Cs 0.50000000000000 0.00000000000000 0.34298343918714 132.905 > 8 115 Cs 0.00000000000000 0.50000000000000 0.34298343918714 132.905 > 8 116 Cs 0.50000000000000 0.50000000000000 0.34298343918714 132.905 > 8 117 Cs 0.25000000000000 0.00000000000000 0.15701656081286 132.905 > 9 118 Cs 0.75000000000000 0.00000000000000 0.15701656081286 132.905 > 9 119 Cs 0.25000000000000 0.50000000000000 0.15701656081286 132.905 > 9 120 Cs 0.75000000000000 0.50000000000000 0.15701656081286 132.905 > 9 121 Cs 0.00000000000000 0.25000000000000 0.84298343918714 132.905 > 8 122 Cs 0.50000000000000 0.25000000000000 0.84298343918714 132.905 > 8 123 Cs 0.00000000000000 0.75000000000000 0.84298343918714 132.905 > 8 124 Cs 0.50000000000000 0.75000000000000 0.84298343918714 132.905 > 8 125 Cs 0.25000000000000 0.25000000000000 0.65701656081286 132.905 > 9 126 Cs 0.75000000000000 0.25000000000000 0.65701656081286 132.905 > 9 127 Cs 0.25000000000000 0.75000000000000 0.65701656081286 132.905 > 9 128 Cs 0.75000000000000 0.75000000000000 0.65701656081286 132.905 > 9 129 Cs 0.25000000000000 0.00000000000000 0.84298343918714 132.905 > 8 130 Cs 0.75000000000000 0.00000000000000 0.84298343918714 132.905 > 8 131 Cs 0.25000000000000 0.50000000000000 0.84298343918714 132.905 > 8 132 Cs 0.75000000000000 0.50000000000000 0.84298343918714 132.905 > 8 133 Cs 0.00000000000000 0.00000000000000 0.65701656081286 132.905 > 9 134 Cs 0.50000000000000 0.00000000000000 0.65701656081286 132.905 > 9 135 Cs 0.00000000000000 0.50000000000000 0.65701656081286 132.905 > 9 136 Cs 0.50000000000000 0.50000000000000 0.65701656081286 132.905 > 9 137 Cs 0.25000000000000 0.25000000000000 0.34298343918714 132.905 > 8 138 Cs 0.75000000000000 0.25000000000000 0.34298343918714 132.905 > 8 139 Cs 0.25000000000000 0.75000000000000 0.34298343918714 132.905 > 8 140 Cs 0.75000000000000 0.75000000000000 0.34298343918714 132.905 > 8 141 Cs 0.00000000000000 0.25000000000000 0.15701656081286 132.905 > 9 142 Cs 0.50000000000000 0.25000000000000 0.15701656081286 132.905 > 9 143 Cs 0.00000000000000 0.75000000000000 0.15701656081286 132.905 > 9 144 Cs 0.50000000000000 0.75000000000000 0.15701656081286 132.905 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5902536 0.0000000 0.0000000 0.0000000 9.7784615 0.0000000 0.0000000 0.0000000 5.5257274 -------------------------- Born effective charges -------------------------- 1 Ni -0.2809327 0.1709796 0.0000000 0.1887945 -0.4431609 0.0000000 0.0000000 0.0000000 0.1562856 2 Ni -0.4875494 0.0000000 0.0000000 0.0000000 -0.3210638 0.0000000 0.0000000 0.0000000 0.1515303 3 Ni -0.2809327 -0.1709796 0.0000000 -0.1887945 -0.4431609 0.0000000 0.0000000 0.0000000 0.1562856 4 Se -0.4878364 0.0000000 0.0000000 0.0000000 -0.5225691 0.1515087 0.0000000 0.0168142 -0.7890074 5 Se -0.4878364 0.0000000 0.0000000 0.0000000 -0.5225691 0.1515087 0.0000000 0.0168142 -0.7890074 6 Se -0.4878364 0.0000000 0.0000000 0.0000000 -0.5225691 -0.1515087 0.0000000 -0.0168142 -0.7890074 7 Se -0.4878364 0.0000000 0.0000000 0.0000000 -0.5225691 -0.1515087 0.0000000 -0.0168142 -0.7890074 8 Cs 1.5003802 0.0000000 0.0000000 0.0000000 1.6488310 0.0000000 0.0000000 0.0000000 1.3459641 9 Cs 1.5003802 0.0000000 0.0000000 0.0000000 1.6488310 0.0000000 0.0000000 0.0000000 1.3459641 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (1, 1), data: True |-- (100, 100), data: True |-- (128, 126), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 160 - Time: 1.211 Solver_block: 160 / 160 - Time: 0.897 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.222 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (1, 1), data: True |-- (100, 100), data: True |-- (128, 126), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:29:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:29:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.226541835000001 7.211886560000000 b 3.057194930000000 0.000000000000000 7.211886560000000 c 3.057194930000000 5.226541835000001 0.000000000000000 Atomic positions (fractional): 1 Ni 0.00000000000000 0.00000000000000 0.50000000000000 58.693 2 Ni 0.00000000000000 0.00000000000000 0.00000000000000 58.693 3 Ni 0.50000000000000 0.50000000000000 0.00000000000000 58.693 4 Se 0.27166641006270 0.93684313701865 0.06315686298135 78.960 5 Se 0.72833358993730 0.06315686298135 0.93684313701865 78.960 6 Se 0.06315686298135 0.72833358993730 0.27166641006270 78.960 7 Se 0.93684313701865 0.27166641006270 0.72833358993730 78.960 8 Cs 0.34298343918714 0.34298343918714 0.65701656081286 132.905 9 Cs 0.65701656081286 0.65701656081286 0.34298343918714 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.228779720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 20.906167340000003 0.000000000000000 c 0.000000000000000 0.000000000000000 14.423773120000000 Atomic positions (fractional): 1 Ni 0.37500000000000 0.37500000000000 0.00000000000000 58.693 > 1 2 Ni 0.87500000000000 0.37500000000000 0.00000000000000 58.693 > 1 3 Ni 0.37500000000000 0.87500000000000 0.00000000000000 58.693 > 1 4 Ni 0.87500000000000 0.87500000000000 0.00000000000000 58.693 > 1 5 Ni 0.00000000000000 0.00000000000000 0.00000000000000 58.693 > 5 6 Ni 0.50000000000000 0.00000000000000 0.00000000000000 58.693 > 5 7 Ni 0.00000000000000 0.50000000000000 0.00000000000000 58.693 > 5 8 Ni 0.50000000000000 0.50000000000000 0.00000000000000 58.693 > 5 9 Ni 0.37500000000000 0.12500000000000 0.00000000000000 58.693 > 9 10 Ni 0.87500000000000 0.12500000000000 0.00000000000000 58.693 > 9 11 Ni 0.37500000000000 0.62500000000000 0.00000000000000 58.693 > 9 12 Ni 0.87500000000000 0.62500000000000 0.00000000000000 58.693 > 9 13 Ni 0.37500000000000 0.12500000000000 0.50000000000000 58.693 > 1 14 Ni 0.87500000000000 0.12500000000000 0.50000000000000 58.693 > 1 15 Ni 0.37500000000000 0.62500000000000 0.50000000000000 58.693 > 1 16 Ni 0.87500000000000 0.62500000000000 0.50000000000000 58.693 > 1 17 Ni 0.00000000000000 0.25000000000000 0.50000000000000 58.693 > 5 18 Ni 0.50000000000000 0.25000000000000 0.50000000000000 58.693 > 5 19 Ni 0.00000000000000 0.75000000000000 0.50000000000000 58.693 > 5 20 Ni 0.50000000000000 0.75000000000000 0.50000000000000 58.693 > 5 21 Ni 0.37500000000000 0.37500000000000 0.50000000000000 58.693 > 9 22 Ni 0.87500000000000 0.37500000000000 0.50000000000000 58.693 > 9 23 Ni 0.37500000000000 0.87500000000000 0.50000000000000 58.693 > 9 24 Ni 0.87500000000000 0.87500000000000 0.50000000000000 58.693 > 9 25 Ni 0.12500000000000 0.37500000000000 0.50000000000000 58.693 > 1 26 Ni 0.62500000000000 0.37500000000000 0.50000000000000 58.693 > 1 27 Ni 0.12500000000000 0.87500000000000 0.50000000000000 58.693 > 1 28 Ni 0.62500000000000 0.87500000000000 0.50000000000000 58.693 > 1 29 Ni 0.25000000000000 0.00000000000000 0.50000000000000 58.693 > 5 30 Ni 0.75000000000000 0.00000000000000 0.50000000000000 58.693 > 5 31 Ni 0.25000000000000 0.50000000000000 0.50000000000000 58.693 > 5 32 Ni 0.75000000000000 0.50000000000000 0.50000000000000 58.693 > 5 33 Ni 0.12500000000000 0.12500000000000 0.50000000000000 58.693 > 9 34 Ni 0.62500000000000 0.12500000000000 0.50000000000000 58.693 > 9 35 Ni 0.12500000000000 0.62500000000000 0.50000000000000 58.693 > 9 36 Ni 0.62500000000000 0.62500000000000 0.50000000000000 58.693 > 9 37 Ni 0.12500000000000 0.12500000000000 0.00000000000000 58.693 > 1 38 Ni 0.62500000000000 0.12500000000000 0.00000000000000 58.693 > 1 39 Ni 0.12500000000000 0.62500000000000 0.00000000000000 58.693 > 1 40 Ni 0.62500000000000 0.62500000000000 0.00000000000000 58.693 > 1 41 Ni 0.25000000000000 0.25000000000000 0.00000000000000 58.693 > 5 42 Ni 0.75000000000000 0.25000000000000 0.00000000000000 58.693 > 5 43 Ni 0.25000000000000 0.75000000000000 0.00000000000000 58.693 > 5 44 Ni 0.75000000000000 0.75000000000000 0.00000000000000 58.693 > 5 45 Ni 0.12500000000000 0.37500000000000 0.00000000000000 58.693 > 9 46 Ni 0.62500000000000 0.37500000000000 0.00000000000000 58.693 > 9 47 Ni 0.12500000000000 0.87500000000000 0.00000000000000 58.693 > 9 48 Ni 0.62500000000000 0.87500000000000 0.00000000000000 58.693 > 9 49 Se 0.25000000000000 0.33370581826101 0.10425477354067 78.960 > 49 50 Se 0.75000000000000 0.33370581826101 0.10425477354067 78.960 > 49 51 Se 0.25000000000000 0.83370581826101 0.10425477354067 78.960 > 49 52 Se 0.75000000000000 0.83370581826101 0.10425477354067 78.960 > 49 53 Se 0.00000000000000 0.16629418173899 0.39574522645933 78.960 > 53 54 Se 0.50000000000000 0.16629418173899 0.39574522645933 78.960 > 53 55 Se 0.00000000000000 0.66629418173899 0.39574522645933 78.960 > 53 56 Se 0.50000000000000 0.66629418173899 0.39574522645933 78.960 > 53 57 Se 0.00000000000000 0.33370581826101 0.39574522645933 78.960 > 57 58 Se 0.50000000000000 0.33370581826101 0.39574522645933 78.960 > 57 59 Se 0.00000000000000 0.83370581826101 0.39574522645933 78.960 > 57 60 Se 0.50000000000000 0.83370581826101 0.39574522645933 78.960 > 57 61 Se 0.25000000000000 0.16629418173899 0.10425477354067 78.960 > 61 62 Se 0.75000000000000 0.16629418173899 0.10425477354067 78.960 > 61 63 Se 0.25000000000000 0.66629418173899 0.10425477354067 78.960 > 61 64 Se 0.75000000000000 0.66629418173899 0.10425477354067 78.960 > 61 65 Se 0.25000000000000 0.08370581826101 0.60425477354067 78.960 > 49 66 Se 0.75000000000000 0.08370581826101 0.60425477354067 78.960 > 49 67 Se 0.25000000000000 0.58370581826101 0.60425477354067 78.960 > 49 68 Se 0.75000000000000 0.58370581826101 0.60425477354067 78.960 > 49 69 Se 0.00000000000000 0.41629418173899 0.89574522645933 78.960 > 53 70 Se 0.50000000000000 0.41629418173899 0.89574522645933 78.960 > 53 71 Se 0.00000000000000 0.91629418173899 0.89574522645933 78.960 > 53 72 Se 0.50000000000000 0.91629418173899 0.89574522645933 78.960 > 53 73 Se 0.00000000000000 0.08370581826101 0.89574522645933 78.960 > 57 74 Se 0.50000000000000 0.08370581826101 0.89574522645933 78.960 > 57 75 Se 0.00000000000000 0.58370581826101 0.89574522645933 78.960 > 57 76 Se 0.50000000000000 0.58370581826101 0.89574522645933 78.960 > 57 77 Se 0.25000000000000 0.41629418173899 0.60425477354067 78.960 > 61 78 Se 0.75000000000000 0.41629418173899 0.60425477354067 78.960 > 61 79 Se 0.25000000000000 0.91629418173899 0.60425477354067 78.960 > 61 80 Se 0.75000000000000 0.91629418173899 0.60425477354067 78.960 > 61 81 Se 0.00000000000000 0.33370581826101 0.60425477354067 78.960 > 49 82 Se 0.50000000000000 0.33370581826101 0.60425477354067 78.960 > 49 83 Se 0.00000000000000 0.83370581826101 0.60425477354067 78.960 > 49 84 Se 0.50000000000000 0.83370581826101 0.60425477354067 78.960 > 49 85 Se 0.25000000000000 0.16629418173899 0.89574522645933 78.960 > 53 86 Se 0.75000000000000 0.16629418173899 0.89574522645933 78.960 > 53 87 Se 0.25000000000000 0.66629418173899 0.89574522645933 78.960 > 53 88 Se 0.75000000000000 0.66629418173899 0.89574522645933 78.960 > 53 89 Se 0.25000000000000 0.33370581826101 0.89574522645933 78.960 > 57 90 Se 0.75000000000000 0.33370581826101 0.89574522645933 78.960 > 57 91 Se 0.25000000000000 0.83370581826101 0.89574522645933 78.960 > 57 92 Se 0.75000000000000 0.83370581826101 0.89574522645933 78.960 > 57 93 Se 0.00000000000000 0.16629418173899 0.60425477354067 78.960 > 61 94 Se 0.50000000000000 0.16629418173899 0.60425477354067 78.960 > 61 95 Se 0.00000000000000 0.66629418173899 0.60425477354067 78.960 > 61 96 Se 0.50000000000000 0.66629418173899 0.60425477354067 78.960 > 61 97 Se 0.00000000000000 0.08370581826101 0.10425477354067 78.960 > 49 98 Se 0.50000000000000 0.08370581826101 0.10425477354067 78.960 > 49 99 Se 0.00000000000000 0.58370581826101 0.10425477354067 78.960 > 49 100 Se 0.50000000000000 0.58370581826101 0.10425477354067 78.960 > 49 101 Se 0.25000000000000 0.41629418173899 0.39574522645933 78.960 > 53 102 Se 0.75000000000000 0.41629418173899 0.39574522645933 78.960 > 53 103 Se 0.25000000000000 0.91629418173899 0.39574522645933 78.960 > 53 104 Se 0.75000000000000 0.91629418173899 0.39574522645933 78.960 > 53 105 Se 0.25000000000000 0.08370581826101 0.39574522645933 78.960 > 57 106 Se 0.75000000000000 0.08370581826101 0.39574522645933 78.960 > 57 107 Se 0.25000000000000 0.58370581826101 0.39574522645933 78.960 > 57 108 Se 0.75000000000000 0.58370581826101 0.39574522645933 78.960 > 57 109 Se 0.00000000000000 0.41629418173899 0.10425477354067 78.960 > 61 110 Se 0.50000000000000 0.41629418173899 0.10425477354067 78.960 > 61 111 Se 0.00000000000000 0.91629418173899 0.10425477354067 78.960 > 61 112 Se 0.50000000000000 0.91629418173899 0.10425477354067 78.960 > 61 113 Cs 0.00000000000000 0.00000000000000 0.34298343918714 132.905 > 113 114 Cs 0.50000000000000 0.00000000000000 0.34298343918714 132.905 > 113 115 Cs 0.00000000000000 0.50000000000000 0.34298343918714 132.905 > 113 116 Cs 0.50000000000000 0.50000000000000 0.34298343918714 132.905 > 113 117 Cs 0.25000000000000 0.00000000000000 0.15701656081286 132.905 > 117 118 Cs 0.75000000000000 0.00000000000000 0.15701656081286 132.905 > 117 119 Cs 0.25000000000000 0.50000000000000 0.15701656081286 132.905 > 117 120 Cs 0.75000000000000 0.50000000000000 0.15701656081286 132.905 > 117 121 Cs 0.00000000000000 0.25000000000000 0.84298343918714 132.905 > 113 122 Cs 0.50000000000000 0.25000000000000 0.84298343918714 132.905 > 113 123 Cs 0.00000000000000 0.75000000000000 0.84298343918714 132.905 > 113 124 Cs 0.50000000000000 0.75000000000000 0.84298343918714 132.905 > 113 125 Cs 0.25000000000000 0.25000000000000 0.65701656081286 132.905 > 117 126 Cs 0.75000000000000 0.25000000000000 0.65701656081286 132.905 > 117 127 Cs 0.25000000000000 0.75000000000000 0.65701656081286 132.905 > 117 128 Cs 0.75000000000000 0.75000000000000 0.65701656081286 132.905 > 117 129 Cs 0.25000000000000 0.00000000000000 0.84298343918714 132.905 > 113 130 Cs 0.75000000000000 0.00000000000000 0.84298343918714 132.905 > 113 131 Cs 0.25000000000000 0.50000000000000 0.84298343918714 132.905 > 113 132 Cs 0.75000000000000 0.50000000000000 0.84298343918714 132.905 > 113 133 Cs 0.00000000000000 0.00000000000000 0.65701656081286 132.905 > 117 134 Cs 0.50000000000000 0.00000000000000 0.65701656081286 132.905 > 117 135 Cs 0.00000000000000 0.50000000000000 0.65701656081286 132.905 > 117 136 Cs 0.50000000000000 0.50000000000000 0.65701656081286 132.905 > 117 137 Cs 0.25000000000000 0.25000000000000 0.34298343918714 132.905 > 113 138 Cs 0.75000000000000 0.25000000000000 0.34298343918714 132.905 > 113 139 Cs 0.25000000000000 0.75000000000000 0.34298343918714 132.905 > 113 140 Cs 0.75000000000000 0.75000000000000 0.34298343918714 132.905 > 113 141 Cs 0.00000000000000 0.25000000000000 0.15701656081286 132.905 > 117 142 Cs 0.50000000000000 0.25000000000000 0.15701656081286 132.905 > 117 143 Cs 0.00000000000000 0.75000000000000 0.15701656081286 132.905 > 117 144 Cs 0.50000000000000 0.75000000000000 0.15701656081286 132.905 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5902536 0.0000000 0.0000000 0.0000000 9.7784615 0.0000000 0.0000000 0.0000000 5.5257274 -------------------------- Born effective charges -------------------------- 1 Ni -0.2809327 0.1709796 0.0000000 0.1887945 -0.4431609 0.0000000 0.0000000 0.0000000 0.1562856 2 Ni -0.4875494 0.0000000 0.0000000 0.0000000 -0.3210638 0.0000000 0.0000000 0.0000000 0.1515303 3 Ni -0.2809327 -0.1709796 0.0000000 -0.1887945 -0.4431609 0.0000000 0.0000000 0.0000000 0.1562856 4 Se -0.4878364 0.0000000 0.0000000 0.0000000 -0.5225691 0.1515087 0.0000000 0.0168142 -0.7890074 5 Se -0.4878364 0.0000000 0.0000000 0.0000000 -0.5225691 0.1515087 0.0000000 0.0168142 -0.7890074 6 Se -0.4878364 0.0000000 0.0000000 0.0000000 -0.5225691 -0.1515087 0.0000000 -0.0168142 -0.7890074 7 Se -0.4878364 0.0000000 0.0000000 0.0000000 -0.5225691 -0.1515087 0.0000000 -0.0168142 -0.7890074 8 Cs 1.5003802 0.0000000 0.0000000 0.0000000 1.6488310 0.0000000 0.0000000 0.0000000 1.3459641 9 Cs 1.5003802 0.0000000 0.0000000 0.0000000 1.6488310 0.0000000 0.0000000 0.0000000 1.3459641 ---------------------------------------------------------------------------- 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[ 5, 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[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:30:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:30:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.226541835000001 7.211886560000000 b 3.057194930000000 0.000000000000000 7.211886560000000 c 3.057194930000000 5.226541835000001 0.000000000000000 Atomic positions (fractional): 1 Ni 0.00000000000000 0.00000000000000 0.50000000000000 58.693 2 Ni 0.00000000000000 0.00000000000000 0.00000000000000 58.693 3 Ni 0.50000000000000 0.50000000000000 0.00000000000000 58.693 4 Se 0.27166641006270 0.93684313701865 0.06315686298135 78.960 5 Se 0.72833358993730 0.06315686298135 0.93684313701865 78.960 6 Se 0.06315686298135 0.72833358993730 0.27166641006270 78.960 7 Se 0.93684313701865 0.27166641006270 0.72833358993730 78.960 8 Cs 0.34298343918714 0.34298343918714 0.65701656081286 132.905 9 Cs 0.65701656081286 0.65701656081286 0.34298343918714 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.228779720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 20.906167340000003 0.000000000000000 c 0.000000000000000 0.000000000000000 14.423773120000000 Atomic positions (fractional): 1 Ni 0.37500000000000 0.37500000000000 0.00000000000000 58.693 > 1 2 Ni 0.87500000000000 0.37500000000000 0.00000000000000 58.693 > 1 3 Ni 0.37500000000000 0.87500000000000 0.00000000000000 58.693 > 1 4 Ni 0.87500000000000 0.87500000000000 0.00000000000000 58.693 > 1 5 Ni 0.00000000000000 0.00000000000000 0.00000000000000 58.693 > 5 6 Ni 0.50000000000000 0.00000000000000 0.00000000000000 58.693 > 5 7 Ni 0.00000000000000 0.50000000000000 0.00000000000000 58.693 > 5 8 Ni 0.50000000000000 0.50000000000000 0.00000000000000 58.693 > 5 9 Ni 0.37500000000000 0.12500000000000 0.00000000000000 58.693 > 9 10 Ni 0.87500000000000 0.12500000000000 0.00000000000000 58.693 > 9 11 Ni 0.37500000000000 0.62500000000000 0.00000000000000 58.693 > 9 12 Ni 0.87500000000000 0.62500000000000 0.00000000000000 58.693 > 9 13 Ni 0.37500000000000 0.12500000000000 0.50000000000000 58.693 > 1 14 Ni 0.87500000000000 0.12500000000000 0.50000000000000 58.693 > 1 15 Ni 0.37500000000000 0.62500000000000 0.50000000000000 58.693 > 1 16 Ni 0.87500000000000 0.62500000000000 0.50000000000000 58.693 > 1 17 Ni 0.00000000000000 0.25000000000000 0.50000000000000 58.693 > 5 18 Ni 0.50000000000000 0.25000000000000 0.50000000000000 58.693 > 5 19 Ni 0.00000000000000 0.75000000000000 0.50000000000000 58.693 > 5 20 Ni 0.50000000000000 0.75000000000000 0.50000000000000 58.693 > 5 21 Ni 0.37500000000000 0.37500000000000 0.50000000000000 58.693 > 9 22 Ni 0.87500000000000 0.37500000000000 0.50000000000000 58.693 > 9 23 Ni 0.37500000000000 0.87500000000000 0.50000000000000 58.693 > 9 24 Ni 0.87500000000000 0.87500000000000 0.50000000000000 58.693 > 9 25 Ni 0.12500000000000 0.37500000000000 0.50000000000000 58.693 > 1 26 Ni 0.62500000000000 0.37500000000000 0.50000000000000 58.693 > 1 27 Ni 0.12500000000000 0.87500000000000 0.50000000000000 58.693 > 1 28 Ni 0.62500000000000 0.87500000000000 0.50000000000000 58.693 > 1 29 Ni 0.25000000000000 0.00000000000000 0.50000000000000 58.693 > 5 30 Ni 0.75000000000000 0.00000000000000 0.50000000000000 58.693 > 5 31 Ni 0.25000000000000 0.50000000000000 0.50000000000000 58.693 > 5 32 Ni 0.75000000000000 0.50000000000000 0.50000000000000 58.693 > 5 33 Ni 0.12500000000000 0.12500000000000 0.50000000000000 58.693 > 9 34 Ni 0.62500000000000 0.12500000000000 0.50000000000000 58.693 > 9 35 Ni 0.12500000000000 0.62500000000000 0.50000000000000 58.693 > 9 36 Ni 0.62500000000000 0.62500000000000 0.50000000000000 58.693 > 9 37 Ni 0.12500000000000 0.12500000000000 0.00000000000000 58.693 > 1 38 Ni 0.62500000000000 0.12500000000000 0.00000000000000 58.693 > 1 39 Ni 0.12500000000000 0.62500000000000 0.00000000000000 58.693 > 1 40 Ni 0.62500000000000 0.62500000000000 0.00000000000000 58.693 > 1 41 Ni 0.25000000000000 0.25000000000000 0.00000000000000 58.693 > 5 42 Ni 0.75000000000000 0.25000000000000 0.00000000000000 58.693 > 5 43 Ni 0.25000000000000 0.75000000000000 0.00000000000000 58.693 > 5 44 Ni 0.75000000000000 0.75000000000000 0.00000000000000 58.693 > 5 45 Ni 0.12500000000000 0.37500000000000 0.00000000000000 58.693 > 9 46 Ni 0.62500000000000 0.37500000000000 0.00000000000000 58.693 > 9 47 Ni 0.12500000000000 0.87500000000000 0.00000000000000 58.693 > 9 48 Ni 0.62500000000000 0.87500000000000 0.00000000000000 58.693 > 9 49 Se 0.25000000000000 0.33370581826101 0.10425477354067 78.960 > 49 50 Se 0.75000000000000 0.33370581826101 0.10425477354067 78.960 > 49 51 Se 0.25000000000000 0.83370581826101 0.10425477354067 78.960 > 49 52 Se 0.75000000000000 0.83370581826101 0.10425477354067 78.960 > 49 53 Se 0.00000000000000 0.16629418173899 0.39574522645933 78.960 > 53 54 Se 0.50000000000000 0.16629418173899 0.39574522645933 78.960 > 53 55 Se 0.00000000000000 0.66629418173899 0.39574522645933 78.960 > 53 56 Se 0.50000000000000 0.66629418173899 0.39574522645933 78.960 > 53 57 Se 0.00000000000000 0.33370581826101 0.39574522645933 78.960 > 57 58 Se 0.50000000000000 0.33370581826101 0.39574522645933 78.960 > 57 59 Se 0.00000000000000 0.83370581826101 0.39574522645933 78.960 > 57 60 Se 0.50000000000000 0.83370581826101 0.39574522645933 78.960 > 57 61 Se 0.25000000000000 0.16629418173899 0.10425477354067 78.960 > 61 62 Se 0.75000000000000 0.16629418173899 0.10425477354067 78.960 > 61 63 Se 0.25000000000000 0.66629418173899 0.10425477354067 78.960 > 61 64 Se 0.75000000000000 0.66629418173899 0.10425477354067 78.960 > 61 65 Se 0.25000000000000 0.08370581826101 0.60425477354067 78.960 > 49 66 Se 0.75000000000000 0.08370581826101 0.60425477354067 78.960 > 49 67 Se 0.25000000000000 0.58370581826101 0.60425477354067 78.960 > 49 68 Se 0.75000000000000 0.58370581826101 0.60425477354067 78.960 > 49 69 Se 0.00000000000000 0.41629418173899 0.89574522645933 78.960 > 53 70 Se 0.50000000000000 0.41629418173899 0.89574522645933 78.960 > 53 71 Se 0.00000000000000 0.91629418173899 0.89574522645933 78.960 > 53 72 Se 0.50000000000000 0.91629418173899 0.89574522645933 78.960 > 53 73 Se 0.00000000000000 0.08370581826101 0.89574522645933 78.960 > 57 74 Se 0.50000000000000 0.08370581826101 0.89574522645933 78.960 > 57 75 Se 0.00000000000000 0.58370581826101 0.89574522645933 78.960 > 57 76 Se 0.50000000000000 0.58370581826101 0.89574522645933 78.960 > 57 77 Se 0.25000000000000 0.41629418173899 0.60425477354067 78.960 > 61 78 Se 0.75000000000000 0.41629418173899 0.60425477354067 78.960 > 61 79 Se 0.25000000000000 0.91629418173899 0.60425477354067 78.960 > 61 80 Se 0.75000000000000 0.91629418173899 0.60425477354067 78.960 > 61 81 Se 0.00000000000000 0.33370581826101 0.60425477354067 78.960 > 49 82 Se 0.50000000000000 0.33370581826101 0.60425477354067 78.960 > 49 83 Se 0.00000000000000 0.83370581826101 0.60425477354067 78.960 > 49 84 Se 0.50000000000000 0.83370581826101 0.60425477354067 78.960 > 49 85 Se 0.25000000000000 0.16629418173899 0.89574522645933 78.960 > 53 86 Se 0.75000000000000 0.16629418173899 0.89574522645933 78.960 > 53 87 Se 0.25000000000000 0.66629418173899 0.89574522645933 78.960 > 53 88 Se 0.75000000000000 0.66629418173899 0.89574522645933 78.960 > 53 89 Se 0.25000000000000 0.33370581826101 0.89574522645933 78.960 > 57 90 Se 0.75000000000000 0.33370581826101 0.89574522645933 78.960 > 57 91 Se 0.25000000000000 0.83370581826101 0.89574522645933 78.960 > 57 92 Se 0.75000000000000 0.83370581826101 0.89574522645933 78.960 > 57 93 Se 0.00000000000000 0.16629418173899 0.60425477354067 78.960 > 61 94 Se 0.50000000000000 0.16629418173899 0.60425477354067 78.960 > 61 95 Se 0.00000000000000 0.66629418173899 0.60425477354067 78.960 > 61 96 Se 0.50000000000000 0.66629418173899 0.60425477354067 78.960 > 61 97 Se 0.00000000000000 0.08370581826101 0.10425477354067 78.960 > 49 98 Se 0.50000000000000 0.08370581826101 0.10425477354067 78.960 > 49 99 Se 0.00000000000000 0.58370581826101 0.10425477354067 78.960 > 49 100 Se 0.50000000000000 0.58370581826101 0.10425477354067 78.960 > 49 101 Se 0.25000000000000 0.41629418173899 0.39574522645933 78.960 > 53 102 Se 0.75000000000000 0.41629418173899 0.39574522645933 78.960 > 53 103 Se 0.25000000000000 0.91629418173899 0.39574522645933 78.960 > 53 104 Se 0.75000000000000 0.91629418173899 0.39574522645933 78.960 > 53 105 Se 0.25000000000000 0.08370581826101 0.39574522645933 78.960 > 57 106 Se 0.75000000000000 0.08370581826101 0.39574522645933 78.960 > 57 107 Se 0.25000000000000 0.58370581826101 0.39574522645933 78.960 > 57 108 Se 0.75000000000000 0.58370581826101 0.39574522645933 78.960 > 57 109 Se 0.00000000000000 0.41629418173899 0.10425477354067 78.960 > 61 110 Se 0.50000000000000 0.41629418173899 0.10425477354067 78.960 > 61 111 Se 0.00000000000000 0.91629418173899 0.10425477354067 78.960 > 61 112 Se 0.50000000000000 0.91629418173899 0.10425477354067 78.960 > 61 113 Cs 0.00000000000000 0.00000000000000 0.34298343918714 132.905 > 113 114 Cs 0.50000000000000 0.00000000000000 0.34298343918714 132.905 > 113 115 Cs 0.00000000000000 0.50000000000000 0.34298343918714 132.905 > 113 116 Cs 0.50000000000000 0.50000000000000 0.34298343918714 132.905 > 113 117 Cs 0.25000000000000 0.00000000000000 0.15701656081286 132.905 > 117 118 Cs 0.75000000000000 0.00000000000000 0.15701656081286 132.905 > 117 119 Cs 0.25000000000000 0.50000000000000 0.15701656081286 132.905 > 117 120 Cs 0.75000000000000 0.50000000000000 0.15701656081286 132.905 > 117 121 Cs 0.00000000000000 0.25000000000000 0.84298343918714 132.905 > 113 122 Cs 0.50000000000000 0.25000000000000 0.84298343918714 132.905 > 113 123 Cs 0.00000000000000 0.75000000000000 0.84298343918714 132.905 > 113 124 Cs 0.50000000000000 0.75000000000000 0.84298343918714 132.905 > 113 125 Cs 0.25000000000000 0.25000000000000 0.65701656081286 132.905 > 117 126 Cs 0.75000000000000 0.25000000000000 0.65701656081286 132.905 > 117 127 Cs 0.25000000000000 0.75000000000000 0.65701656081286 132.905 > 117 128 Cs 0.75000000000000 0.75000000000000 0.65701656081286 132.905 > 117 129 Cs 0.25000000000000 0.00000000000000 0.84298343918714 132.905 > 113 130 Cs 0.75000000000000 0.00000000000000 0.84298343918714 132.905 > 113 131 Cs 0.25000000000000 0.50000000000000 0.84298343918714 132.905 > 113 132 Cs 0.75000000000000 0.50000000000000 0.84298343918714 132.905 > 113 133 Cs 0.00000000000000 0.00000000000000 0.65701656081286 132.905 > 117 134 Cs 0.50000000000000 0.00000000000000 0.65701656081286 132.905 > 117 135 Cs 0.00000000000000 0.50000000000000 0.65701656081286 132.905 > 117 136 Cs 0.50000000000000 0.50000000000000 0.65701656081286 132.905 > 117 137 Cs 0.25000000000000 0.25000000000000 0.34298343918714 132.905 > 113 138 Cs 0.75000000000000 0.25000000000000 0.34298343918714 132.905 > 113 139 Cs 0.25000000000000 0.75000000000000 0.34298343918714 132.905 > 113 140 Cs 0.75000000000000 0.75000000000000 0.34298343918714 132.905 > 113 141 Cs 0.00000000000000 0.25000000000000 0.15701656081286 132.905 > 117 142 Cs 0.50000000000000 0.25000000000000 0.15701656081286 132.905 > 117 143 Cs 0.00000000000000 0.75000000000000 0.15701656081286 132.905 > 117 144 Cs 0.50000000000000 0.75000000000000 0.15701656081286 132.905 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.5902536 0.0000000 0.0000000 0.0000000 9.7784615 0.0000000 0.0000000 0.0000000 5.5257274 -------------------------- Born effective charges -------------------------- 1 Ni -0.2809327 0.1709796 0.0000000 0.1887945 -0.4431609 0.0000000 0.0000000 0.0000000 0.1562856 2 Ni -0.4875494 0.0000000 0.0000000 0.0000000 -0.3210638 0.0000000 0.0000000 0.0000000 0.1515303 3 Ni -0.2809327 -0.1709796 0.0000000 -0.1887945 -0.4431609 0.0000000 0.0000000 0.0000000 0.1562856 4 Se -0.4878364 0.0000000 0.0000000 0.0000000 -0.5225691 0.1515087 0.0000000 0.0168142 -0.7890074 5 Se -0.4878364 0.0000000 0.0000000 0.0000000 -0.5225691 0.1515087 0.0000000 0.0168142 -0.7890074 6 Se -0.4878364 0.0000000 0.0000000 0.0000000 -0.5225691 -0.1515087 0.0000000 -0.0168142 -0.7890074 7 Se -0.4878364 0.0000000 0.0000000 0.0000000 -0.5225691 -0.1515087 0.0000000 -0.0168142 -0.7890074 8 Cs 1.5003802 0.0000000 0.0000000 0.0000000 1.6488310 0.0000000 0.0000000 0.0000000 1.3459641 9 Cs 1.5003802 0.0000000 0.0000000 0.0000000 1.6488310 0.0000000 0.0000000 0.0000000 1.3459641 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.68, Number of G-points: 297, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.541 ( 0.000 0.000 0.000) 0.000 1.711 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 2.004 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 6.811 ( 0.000 0.000 0.000) 0.000 7.736 ( 0.000 0.000 0.000) 0.000 7.802 ( 0.000 0.000 0.000) 0.000 8.063 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 8.759 ( 0.000 0.000 0.000) 0.000 9.251 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( -11.173 3.253 6.053) 13.117 0.355 ( -14.984 10.109 1.871) 18.172 0.640 ( -27.839 16.080 2.520) 32.248 1.479 ( 7.286 -5.612 6.623) 11.334 1.732 ( 1.185 3.619 0.431) 3.833 1.778 ( 2.498 -0.050 -0.716) 2.599 2.034 ( -4.004 -0.095 -2.391) 4.664 2.306 ( -2.386 -7.953 0.693) 8.332 2.498 ( 6.056 6.191 -2.904) 9.135 3.031 ( 2.740 -4.734 0.169) 5.472 3.099 ( 3.292 1.404 -0.072) 3.579 3.527 ( 0.029 -0.208 0.011) 0.210 3.890 ( 1.685 -3.403 0.052) 3.797 3.931 ( 1.441 -0.015 -0.003) 1.441 3.980 ( 2.779 0.746 0.111) 2.879 4.510 ( -2.174 -0.958 0.035) 2.376 4.550 ( -1.600 2.910 0.110) 3.322 5.327 ( -3.303 0.896 0.014) 3.423 5.383 ( -2.324 2.335 -0.086) 3.295 5.585 ( 0.321 0.005 0.005) 0.321 6.768 ( 3.624 -2.266 -0.192) 4.278 7.750 ( -1.381 0.484 -0.005) 1.463 7.811 ( -0.878 0.375 0.033) 0.955 8.061 ( 0.537 -0.442 0.808) 1.066 8.750 ( -0.810 -0.575 0.016) 0.993 8.772 ( -1.101 1.885 -0.024) 2.183 9.246 ( 0.569 -0.271 0.168) 0.653 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -14.003 6.035 3.385) 15.620 0.708 ( -14.729 10.203 1.783) 18.006 1.219 ( -20.667 11.605 -0.689) 23.713 1.386 ( 0.104 -1.091 6.110) 6.207 1.712 ( 3.914 0.092 -1.900) 4.352 1.741 ( 1.312 2.086 0.527) 2.520 2.071 ( -2.375 -0.583 -2.194) 3.285 2.252 ( 2.206 -4.971 0.925) 5.516 2.415 ( 5.238 0.221 -2.426) 5.777 2.861 ( 10.014 -7.201 0.149) 12.336 3.079 ( 1.493 1.177 0.141) 1.906 3.525 ( -0.056 -0.262 0.023) 0.269 3.789 ( 5.424 -6.425 0.095) 8.409 3.855 ( 6.206 0.263 -0.022) 6.212 3.985 ( -0.895 1.224 0.180) 1.527 4.521 ( -0.652 -0.559 -0.019) 0.859 4.657 ( -6.426 4.235 0.119) 7.697 5.399 ( -4.011 0.720 -0.035) 4.075 5.479 ( -5.377 4.518 -0.075) 7.024 5.572 ( 1.195 -0.531 0.012) 1.308 6.654 ( 6.242 -3.833 -0.341) 7.332 7.786 ( -2.150 0.692 0.021) 2.259 7.837 ( -1.565 0.803 0.031) 1.759 8.050 ( 0.735 -0.670 0.478) 1.104 8.753 ( -0.256 -0.277 0.027) 0.378 8.826 ( -2.656 2.314 -0.154) 3.526 9.231 ( 0.940 -0.478 0.372) 1.119 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -16.363 8.346 0.885) 18.390 1.052 ( -13.954 9.765 1.584) 17.105 1.294 ( 0.290 -0.632 1.443) 1.602 1.602 ( 2.087 0.125 -2.775) 3.475 1.721 ( -2.705 1.237 -0.296) 2.989 1.806 ( -11.864 8.183 3.308) 14.787 2.071 ( -0.304 -1.697 -0.783) 1.894 2.147 ( 5.622 -4.434 0.469) 7.176 2.333 ( 0.701 0.702 -2.356) 2.556 2.590 ( 13.937 -8.138 0.608) 16.151 3.065 ( 1.405 0.485 0.161) 1.495 3.526 ( -0.305 -0.087 0.036) 0.319 3.594 ( 10.426 -6.418 -0.048) 12.243 3.759 ( 4.776 -1.310 -0.032) 4.953 4.014 ( -1.073 1.018 0.142) 1.486 4.527 ( -0.451 -0.075 -0.028) 0.458 4.825 ( -8.222 4.709 -0.053) 9.475 5.465 ( -3.162 0.747 -0.085) 3.250 5.532 ( 2.521 -1.498 0.055) 2.933 5.632 ( -7.382 4.986 -0.016) 8.908 6.497 ( 7.508 -4.475 -0.402) 8.749 7.827 ( -1.918 0.478 0.067) 1.978 7.877 ( -2.024 1.274 0.021) 2.392 8.031 ( 0.990 -0.908 0.289) 1.374 8.755 ( -0.120 -0.102 0.027) 0.160 8.891 ( -2.666 2.085 -0.364) 3.405 9.213 ( 1.012 -0.513 0.541) 1.257 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -14.807 8.200 -0.334) 16.929 1.299 ( -3.548 0.691 1.366) 3.864 1.386 ( -9.828 7.542 2.125) 12.569 1.533 ( 2.371 0.914 -2.573) 3.617 1.732 ( -0.518 -0.238 0.005) 0.570 1.960 ( 6.770 -6.290 -1.067) 9.302 1.974 ( -1.083 -0.048 -1.216) 1.629 2.059 ( 3.046 -1.199 0.731) 3.354 2.274 ( 13.946 -7.502 1.167) 15.879 2.508 ( -14.333 8.325 0.696) 16.590 3.048 ( 0.990 0.124 0.095) 1.003 3.331 ( 12.982 -6.814 -0.372) 14.666 3.540 ( -0.901 0.339 0.053) 0.964 3.678 ( 3.262 -1.504 -0.058) 3.592 4.037 ( -0.628 0.557 0.073) 0.842 4.533 ( -0.298 0.079 -0.019) 0.309 4.995 ( -6.881 3.914 -0.156) 7.918 5.462 ( 3.257 -2.033 0.051) 3.839 5.514 ( -1.698 0.456 -0.016) 1.759 5.799 ( -7.005 4.228 0.045) 8.183 6.331 ( 6.907 -3.989 -0.321) 7.983 7.855 ( -1.048 0.200 0.061) 1.069 7.925 ( -2.030 1.446 0.032) 2.492 8.004 ( 1.281 -1.124 0.111) 1.708 8.756 ( -0.053 -0.028 0.016) 0.062 8.941 ( -1.657 1.257 -0.374) 2.113 9.198 ( 0.692 -0.351 0.463) 0.903 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.000 -0.000 0.000) 0.000 1.409 ( 0.000 0.000 0.000) 0.000 1.469 ( -0.000 0.000 0.000) 0.000 1.620 ( -0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.788 ( -0.000 0.000 0.000) 0.000 1.981 ( -0.000 0.000 0.000) 0.000 2.008 ( -0.000 0.000 -0.000) 0.000 2.095 ( -0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 3.039 ( -0.000 0.000 0.000) 0.000 3.123 ( -0.000 0.000 0.000) 0.000 3.554 ( -0.000 0.000 0.000) 0.000 3.638 ( -0.000 0.000 0.000) 0.000 4.045 ( -0.000 0.000 0.000) 0.000 4.536 ( -0.000 0.000 0.000) 0.000 5.082 ( 0.000 -0.000 0.000) 0.000 5.415 ( -0.000 0.000 0.000) 0.000 5.530 ( -0.000 -0.000 0.000) 0.000 5.896 ( -0.000 0.000 0.000) 0.000 6.236 ( -0.000 0.000 0.000) 0.000 7.865 ( -0.000 0.000 0.000) 0.000 7.966 ( -0.000 0.000 0.000) 0.000 7.971 ( 0.000 -0.000 0.000) 0.000 8.756 ( -0.000 0.000 0.000) 0.000 8.960 ( -0.000 0.000 0.000) 0.000 9.192 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.113 ( -0.000 0.000 7.910) 7.910 0.172 ( -0.000 0.000 12.163) 12.163 0.269 ( -0.000 0.000 19.049) 19.049 1.716 ( -0.000 0.000 0.732) 0.732 1.790 ( 0.000 -0.000 -1.365) 1.365 1.945 ( 0.000 -0.000 -1.857) 1.857 1.960 ( 0.000 -0.000 -5.528) 5.528 2.262 ( -0.000 0.000 3.745) 3.745 2.398 ( 0.000 -0.000 -0.928) 0.928 3.065 ( -0.000 0.000 0.453) 0.453 3.133 ( 0.000 -0.000 -0.400) 0.400 3.528 ( -0.000 0.000 0.029) 0.029 3.915 ( -0.000 0.000 0.108) 0.108 3.937 ( -0.000 0.000 0.217) 0.217 4.011 ( -0.000 0.000 0.154) 0.154 4.486 ( 0.000 -0.000 -0.033) 0.033 4.533 ( 0.000 -0.000 -0.019) 0.019 5.293 ( -0.000 0.000 0.057) 0.057 5.353 ( 0.000 -0.000 -0.183) 0.183 5.587 ( -0.000 0.000 0.011) 0.011 6.809 ( 0.000 -0.000 -0.256) 0.256 7.736 ( 0.000 -0.000 -0.019) 0.019 7.803 ( -0.000 0.000 0.044) 0.044 8.101 ( -0.000 0.000 0.164) 0.164 8.740 ( -0.000 0.000 0.078) 0.078 8.759 ( -0.000 0.000 0.022) 0.022 9.253 ( -0.000 0.000 0.304) 0.304 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( -6.176 2.403 10.872) 12.732 0.400 ( -12.384 10.681 4.303) 16.910 0.705 ( -24.776 12.419 6.482) 28.462 1.592 ( 11.417 -8.429 7.202) 15.914 1.742 ( 1.593 3.284 0.762) 3.729 1.759 ( 3.820 -0.066 -1.760) 4.206 1.979 ( -5.569 0.040 -5.029) 7.504 2.321 ( -0.975 -5.087 1.321) 5.345 2.441 ( 2.384 4.894 -4.452) 7.032 3.035 ( 3.171 -4.869 0.345) 5.821 3.097 ( 2.763 1.436 -0.169) 3.118 3.527 ( 0.038 -0.190 0.032) 0.196 3.892 ( 1.692 -3.294 0.157) 3.706 3.931 ( 1.562 -0.101 0.041) 1.566 3.983 ( 2.593 0.614 0.315) 2.683 4.510 ( -2.140 -1.062 0.012) 2.389 4.552 ( -1.715 3.034 0.069) 3.486 5.328 ( -3.291 0.850 0.052) 3.399 5.381 ( -2.330 2.404 -0.221) 3.355 5.585 ( 0.331 0.017 0.011) 0.331 6.764 ( 3.655 -2.296 -0.414) 4.336 7.750 ( -1.393 0.492 -0.014) 1.478 7.812 ( -0.852 0.386 0.068) 0.938 8.076 ( 1.138 -0.809 1.087) 1.769 8.750 ( -0.787 -0.544 0.048) 0.958 8.772 ( -1.055 1.837 -0.030) 2.119 9.250 ( 0.503 -0.320 0.445) 0.744 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -10.372 4.194 5.833) 12.617 0.742 ( -13.773 10.265 2.907) 17.422 1.215 ( -16.011 8.604 -0.122) 18.176 1.480 ( -1.366 -0.385 6.759) 6.907 1.680 ( 3.281 0.033 -2.349) 4.036 1.750 ( 1.231 2.450 0.789) 2.853 2.032 ( -3.979 -0.309 -3.321) 5.192 2.265 ( 3.424 -3.666 0.792) 5.078 2.373 ( 4.280 -0.378 -3.359) 5.454 2.864 ( 9.876 -7.071 0.178) 12.148 3.082 ( 1.219 0.756 0.226) 1.452 3.525 ( -0.046 -0.242 0.037) 0.249 3.791 ( 5.515 -6.446 0.159) 8.485 3.854 ( 6.154 0.204 -0.032) 6.158 3.988 ( -0.909 1.018 0.295) 1.396 4.521 ( -0.642 -0.557 -0.032) 0.850 4.659 ( -6.361 4.159 0.069) 7.600 5.398 ( -3.933 0.745 -0.050) 4.004 5.477 ( -5.433 4.582 -0.110) 7.108 5.572 ( 1.199 -0.498 0.014) 1.298 6.648 ( 6.227 -3.840 -0.515) 7.334 7.787 ( -2.175 0.722 0.030) 2.292 7.838 ( -1.529 0.822 0.049) 1.736 8.058 ( 0.978 -0.832 0.654) 1.441 8.754 ( -0.250 -0.280 0.041) 0.378 8.823 ( -2.518 2.270 -0.240) 3.399 9.238 ( 0.814 -0.599 0.603) 1.177 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -14.779 6.955 1.418) 16.395 1.080 ( -13.443 9.486 2.258) 16.607 1.315 ( -0.720 0.371 1.426) 1.640 1.557 ( 2.491 0.129 -3.637) 4.410 1.721 ( -1.618 0.583 0.217) 1.734 1.855 ( -9.459 6.702 3.662) 12.157 2.056 ( -1.950 -2.120 -1.346) 3.180 2.155 ( 5.841 -3.184 0.671) 6.686 2.296 ( -0.636 1.340 -2.715) 3.093 2.599 ( 13.477 -8.111 0.579) 15.740 3.067 ( 1.160 -0.047 0.187) 1.176 3.527 ( -0.295 -0.070 0.044) 0.307 3.594 ( 10.581 -6.533 -0.054) 12.435 3.759 ( 4.763 -1.373 -0.039) 4.957 4.017 ( -1.112 0.797 0.172) 1.379 4.526 ( -0.453 -0.066 -0.034) 0.459 4.823 ( -8.128 4.657 -0.106) 9.368 5.464 ( -3.090 0.856 -0.072) 3.207 5.533 ( 2.494 -1.442 0.041) 2.881 5.632 ( -7.409 5.037 -0.017) 8.960 6.490 ( 7.451 -4.433 -0.486) 8.684 7.828 ( -1.909 0.520 0.081) 1.980 7.878 ( -2.005 1.299 0.027) 2.389 8.036 ( 1.148 -1.025 0.341) 1.576 8.755 ( -0.123 -0.125 0.030) 0.178 8.885 ( -2.578 2.088 -0.450) 3.348 9.222 ( 0.902 -0.752 0.672) 1.352 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -14.835 7.481 -0.309) 16.617 1.324 ( -3.341 0.894 2.224) 4.112 1.415 ( -8.704 7.201 2.004) 11.473 1.493 ( 0.837 1.132 -3.124) 3.427 1.732 ( -0.352 0.291 -0.018) 0.457 1.944 ( 7.074 -6.960 -1.140) 9.989 1.958 ( -0.760 -0.010 -0.947) 1.214 2.066 ( 3.896 -1.328 0.308) 4.127 2.291 ( 13.518 -7.593 1.105) 15.543 2.519 ( -15.205 8.621 0.818) 17.498 3.049 ( 0.729 -0.460 0.081) 0.866 3.326 ( 13.115 -7.043 -0.380) 14.891 3.541 ( -0.884 0.363 0.054) 0.958 3.677 ( 3.268 -1.493 -0.058) 3.593 4.038 ( -0.683 0.345 0.069) 0.768 4.533 ( -0.306 0.091 -0.019) 0.320 4.993 ( -6.893 3.941 -0.168) 7.942 5.463 ( 3.274 -1.977 0.104) 3.826 5.513 ( -1.640 0.601 -0.062) 1.748 5.800 ( -7.010 4.285 0.046) 8.216 6.326 ( 6.790 -3.882 -0.319) 7.828 7.856 ( -0.987 0.236 0.058) 1.016 7.925 ( -2.024 1.462 0.034) 2.497 8.006 ( 1.382 -1.203 0.110) 1.835 8.756 ( -0.061 -0.064 0.014) 0.089 8.935 ( -1.775 1.385 -0.403) 2.288 9.205 ( 0.740 -0.752 0.491) 1.163 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 2.060 0.073 -0.304) 2.084 1.409 ( -0.763 -0.447 0.093) 0.889 1.472 ( -1.399 0.183 0.329) 1.449 1.619 ( 1.096 -1.729 -0.043) 2.048 1.743 ( 0.831 0.570 -0.237) 1.035 1.791 ( -2.285 1.352 0.316) 2.674 1.977 ( -4.117 0.793 -0.494) 4.221 2.012 ( 1.814 -0.044 0.448) 1.869 2.094 ( 2.222 -0.952 -0.112) 2.420 2.752 ( 1.488 -0.838 -0.015) 1.708 3.040 ( -0.262 -0.553 0.025) 0.613 3.123 ( -1.057 0.298 -0.009) 1.099 3.554 ( 0.071 -0.028 0.001) 0.076 3.638 ( -0.046 0.083 0.001) 0.095 4.045 ( -0.057 -0.192 -0.003) 0.200 4.536 ( -0.009 0.013 0.000) 0.015 5.082 ( -0.158 0.101 -0.006) 0.188 5.415 ( 0.131 0.004 0.024) 0.134 5.530 ( 0.052 0.148 -0.016) 0.157 5.896 ( 0.111 -0.003 -0.002) 0.111 6.236 ( -0.243 0.189 0.003) 0.308 7.865 ( 0.073 0.031 -0.002) 0.080 7.966 ( 0.124 -0.039 0.001) 0.130 7.971 ( -0.041 -0.011 0.000) 0.043 8.756 ( -0.009 -0.037 -0.002) 0.038 8.959 ( -0.276 0.223 -0.051) 0.358 9.192 ( 0.188 -0.490 0.049) 0.527 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 14.643 -8.659 0.213) 17.013 1.286 ( 2.991 -0.250 -0.515) 3.045 1.360 ( 11.333 -8.212 -1.453) 14.071 1.562 ( -3.353 -0.780 1.510) 3.759 1.731 ( 0.587 0.661 -0.014) 0.884 1.972 ( -6.673 5.736 0.672) 8.825 1.990 ( 1.722 0.134 1.029) 2.010 2.047 ( -2.039 0.926 -0.871) 2.403 2.260 ( -14.721 7.531 -0.752) 16.553 2.500 ( 13.586 -8.037 -0.366) 15.789 3.047 ( -1.191 -0.586 -0.066) 1.329 3.336 ( -12.885 6.630 0.226) 14.492 3.539 ( 0.915 -0.319 -0.032) 0.970 3.678 ( -3.257 1.512 0.036) 3.591 4.036 ( 0.583 -0.728 -0.047) 0.934 4.533 ( 0.291 -0.069 0.012) 0.300 4.997 ( 6.877 -3.897 0.091) 7.905 5.462 ( -3.286 2.100 -0.006) 3.900 5.514 ( 1.790 -0.362 -0.012) 1.827 5.799 ( 7.001 -4.181 -0.028) 8.155 6.334 ( -7.002 4.076 0.200) 8.105 7.855 ( 1.098 -0.170 -0.039) 1.112 7.924 ( 2.034 -1.434 -0.019) 2.489 8.003 ( -1.196 1.060 -0.069) 1.600 8.756 ( 0.047 0.000 -0.011) 0.048 8.945 ( 1.539 -1.139 0.215) 1.927 9.193 ( -0.633 0.011 -0.270) 0.689 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 17.213 -9.148 -0.285) 19.495 1.037 ( 14.309 -10.078 -0.548) 17.511 1.279 ( -0.650 1.314 -0.626) 1.594 1.629 ( -1.416 -0.184 1.018) 1.753 1.729 ( 1.417 -1.142 0.802) 1.989 1.768 ( 14.505 -9.404 -1.917) 17.392 2.077 ( -1.112 1.189 0.208) 1.641 2.143 ( -4.878 5.328 -0.135) 7.225 2.357 ( -1.384 -0.404 0.956) 1.730 2.583 ( -14.314 8.213 -0.282) 16.506 3.063 ( -1.554 -0.806 -0.064) 1.752 3.526 ( 0.311 0.097 -0.014) 0.326 3.595 ( -10.331 6.348 0.019) 12.125 3.759 ( -4.786 1.271 0.012) 4.952 4.013 ( 1.049 -1.154 -0.055) 1.560 4.527 ( 0.450 0.080 0.011) 0.457 4.825 ( 8.297 -4.752 0.012) 9.561 5.466 ( 3.227 -0.693 0.039) 3.301 5.531 ( -2.560 1.543 -0.027) 2.989 5.632 ( 7.366 -4.952 0.006) 8.876 6.501 ( -7.548 4.503 0.156) 8.790 7.827 ( 1.924 -0.452 -0.026) 1.977 7.877 ( 2.036 -1.258 -0.008) 2.393 8.028 ( -0.880 0.829 -0.114) 1.214 8.755 ( 0.119 0.088 -0.011) 0.149 8.894 ( 2.716 -2.082 0.139) 3.425 9.208 ( -1.077 0.363 -0.206) 1.155 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 15.528 -6.813 -0.000) 16.957 0.696 ( 15.134 -10.215 -0.000) 18.259 1.229 ( 26.015 -14.653 -0.000) 29.858 1.336 ( -3.960 3.051 0.000) 4.999 1.727 ( -4.029 -0.168 -0.000) 4.033 1.736 ( -1.215 -1.907 -0.000) 2.261 2.087 ( 1.436 0.482 0.000) 1.515 2.245 ( -1.496 5.658 0.000) 5.853 2.433 ( -5.739 -0.375 -0.000) 5.751 2.860 ( -10.074 7.251 0.000) 12.412 3.078 ( -1.593 -1.328 -0.000) 2.074 3.525 ( 0.061 0.270 0.000) 0.276 3.788 ( -5.389 6.419 0.000) 8.381 3.855 ( -6.228 -0.287 -0.000) 6.235 3.983 ( 0.888 -1.301 -0.000) 1.575 4.521 ( 0.656 0.559 0.000) 0.862 4.656 ( 6.476 -4.279 -0.000) 7.762 5.399 ( 4.039 -0.715 -0.000) 4.102 5.479 ( 5.356 -4.493 -0.000) 6.991 5.572 ( -1.194 0.546 0.000) 1.313 6.657 ( -6.254 3.835 0.000) 7.336 7.786 ( 2.141 -0.679 -0.000) 2.246 7.837 ( 1.580 -0.795 -0.000) 1.769 8.047 ( -0.602 0.584 0.000) 0.839 8.753 ( 0.258 0.276 0.000) 0.378 8.827 ( 2.707 -2.329 -0.000) 3.571 9.228 ( -0.989 0.431 0.000) 1.079 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.216 ( -0.000 0.000 6.817) 6.817 0.334 ( -0.000 0.000 11.103) 11.103 0.523 ( -0.000 0.000 17.448) 17.448 1.731 ( -0.000 0.000 1.242) 1.242 1.765 ( 0.000 -0.000 -2.152) 2.152 1.869 ( 0.000 -0.000 -7.068) 7.068 1.907 ( 0.000 -0.000 -3.585) 3.585 2.317 ( -0.000 0.000 3.909) 3.909 2.380 ( 0.000 -0.000 -1.574) 1.574 3.073 ( -0.000 0.000 0.729) 0.729 3.125 ( 0.000 -0.000 -0.647) 0.647 3.529 ( -0.000 0.000 0.046) 0.046 3.917 ( -0.000 0.000 0.175) 0.175 3.941 ( -0.000 0.000 0.315) 0.315 4.014 ( -0.000 0.000 0.287) 0.287 4.485 ( 0.000 -0.000 -0.054) 0.054 4.533 ( 0.000 -0.000 -0.031) 0.031 5.294 ( -0.000 0.000 0.092) 0.092 5.349 ( 0.000 -0.000 -0.296) 0.296 5.587 ( -0.000 0.000 0.019) 0.019 6.804 ( 0.000 -0.000 -0.412) 0.412 7.736 ( 0.000 -0.000 -0.031) 0.031 7.804 ( -0.000 0.000 0.071) 0.071 8.104 ( -0.000 0.000 0.265) 0.265 8.742 ( -0.000 0.000 0.126) 0.126 8.759 ( -0.000 0.000 0.032) 0.032 9.259 ( -0.000 0.000 0.495) 0.495 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -10.390 11.507 4.337) 16.099 0.527 ( -4.246 2.175 11.411) 12.368 0.804 ( -19.107 7.560 7.031) 21.718 1.657 ( 8.531 -6.310 2.397) 10.878 1.725 ( 3.947 -0.832 -2.326) 4.656 1.756 ( 2.594 2.595 0.497) 3.703 1.908 ( -6.356 0.827 -4.929) 8.085 2.337 ( 1.209 -2.271 0.667) 2.658 2.389 ( 0.585 1.772 -2.686) 3.271 3.039 ( 3.901 -4.871 0.241) 6.245 3.095 ( 1.808 1.253 -0.071) 2.201 3.528 ( 0.051 -0.175 0.042) 0.187 3.894 ( 1.701 -3.196 0.202) 3.626 3.932 ( 1.841 -0.180 0.061) 1.851 3.989 ( 2.314 0.379 0.424) 2.383 4.510 ( -2.160 -1.086 -0.027) 2.418 4.552 ( -1.834 3.086 -0.050) 3.590 5.328 ( -3.252 0.797 0.071) 3.349 5.377 ( -2.348 2.517 -0.268) 3.453 5.585 ( 0.345 0.031 0.014) 0.347 6.758 ( 3.705 -2.347 -0.460) 4.410 7.750 ( -1.413 0.503 -0.018) 1.499 7.813 ( -0.830 0.407 0.074) 0.928 8.089 ( 1.103 -0.798 0.727) 1.543 8.751 ( -0.732 -0.508 0.063) 0.893 8.771 ( -0.971 1.756 -0.018) 2.007 9.257 ( 0.407 -0.395 0.555) 0.793 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -6.121 1.983 6.773) 9.342 0.784 ( -12.794 10.501 2.922) 16.807 1.207 ( -13.237 6.630 -1.218) 14.854 1.553 ( 1.250 -0.686 2.762) 3.108 1.666 ( -0.671 0.172 1.281) 1.456 1.762 ( 0.624 2.911 0.966) 3.130 1.982 ( -4.950 0.642 -3.870) 6.316 2.270 ( 4.176 -2.381 -0.192) 4.811 2.331 ( 3.783 -1.467 -2.367) 4.698 2.866 ( 9.726 -6.905 0.116) 11.929 3.085 ( 0.879 0.191 0.232) 0.929 3.526 ( -0.033 -0.218 0.036) 0.224 3.793 ( 5.622 -6.477 0.164) 8.578 3.854 ( 6.097 0.134 -0.029) 6.099 3.992 ( -0.920 0.757 0.297) 1.228 4.520 ( -0.631 -0.554 -0.032) 0.840 4.659 ( -6.348 4.106 -0.038) 7.560 5.397 ( -3.833 0.799 -0.045) 3.916 5.476 ( -5.503 4.655 -0.098) 7.208 5.572 ( 1.207 -0.469 0.007) 1.295 6.641 ( 6.231 -3.861 -0.485) 7.347 7.787 ( -2.206 0.757 0.028) 2.333 7.839 ( -1.487 0.847 0.048) 1.712 8.067 ( 1.145 -0.951 0.551) 1.587 8.755 ( -0.243 -0.283 0.038) 0.375 8.820 ( -2.342 2.213 -0.231) 3.230 9.247 ( 0.660 -0.750 0.603) 1.167 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -12.861 5.377 1.467) 14.017 1.111 ( -13.064 9.512 2.109) 16.297 1.331 ( -2.566 1.443 0.916) 3.083 1.507 ( 3.098 -0.053 -3.249) 4.490 1.725 ( -0.386 0.308 0.346) 0.603 1.903 ( -5.767 4.282 3.124) 7.833 2.035 ( -3.785 -1.864 -1.520) 4.484 2.164 ( 5.423 -2.127 0.553) 5.852 2.262 ( -2.338 2.203 -2.097) 3.836 2.605 ( 13.117 -8.152 0.373) 15.449 3.070 ( 0.913 -0.594 0.143) 1.098 3.527 ( -0.285 -0.054 0.036) 0.292 3.593 ( 10.737 -6.649 -0.040) 12.629 3.758 ( 4.750 -1.435 -0.031) 4.962 4.019 ( -1.150 0.574 0.137) 1.293 4.526 ( -0.455 -0.058 -0.027) 0.459 4.822 ( -8.060 4.624 -0.116) 9.293 5.463 ( -3.051 0.988 -0.034) 3.207 5.533 ( 2.506 -1.404 0.013) 2.872 5.631 ( -7.440 5.083 -0.012) 9.010 6.484 ( 7.404 -4.397 -0.386) 8.620 7.829 ( -1.901 0.561 0.063) 1.983 7.878 ( -1.987 1.324 0.022) 2.388 8.040 ( 1.286 -1.129 0.264) 1.732 8.756 ( -0.127 -0.148 0.021) 0.196 8.879 ( -2.480 2.087 -0.364) 3.261 9.230 ( 0.787 -0.986 0.545) 1.374 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -14.756 6.822 -0.177) 16.257 1.359 ( -2.152 0.860 2.837) 3.663 1.438 ( -7.287 6.431 1.128) 9.784 1.449 ( -2.062 2.136 -3.194) 4.361 1.731 ( -0.113 0.715 -0.030) 0.724 1.931 ( 6.863 -7.206 -0.728) 9.978 1.948 ( -0.178 -0.331 -0.514) 0.637 2.068 ( 4.276 -1.297 0.044) 4.469 2.303 ( 13.477 -7.728 0.651) 15.549 2.529 ( -15.849 8.806 0.563) 18.140 3.050 ( 0.506 -0.943 0.043) 1.071 3.322 ( 13.236 -7.227 -0.239) 15.082 3.541 ( -0.871 0.382 0.034) 0.952 3.676 ( 3.273 -1.484 -0.036) 3.594 4.039 ( -0.727 0.173 0.041) 0.748 4.533 ( -0.312 0.101 -0.011) 0.329 4.991 ( -6.907 3.968 -0.109) 7.966 5.465 ( 3.338 -1.961 0.093) 3.873 5.512 ( -1.644 0.748 -0.064) 1.807 5.801 ( -7.014 4.328 0.028) 8.242 6.322 ( 6.696 -3.795 -0.196) 7.699 7.857 ( -0.937 0.266 0.035) 0.974 7.926 ( -2.020 1.475 0.022) 2.501 8.007 ( 1.462 -1.265 0.068) 1.935 8.756 ( -0.068 -0.093 0.007) 0.115 8.931 ( -1.852 1.475 -0.261) 2.382 9.210 ( 0.761 -1.061 0.316) 1.343 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 3.130 0.117 -0.176) 3.137 1.411 ( -1.160 -0.716 0.053) 1.364 1.476 ( -2.100 0.285 0.196) 2.128 1.619 ( 1.748 -2.795 -0.027) 3.297 1.740 ( 0.950 1.059 -0.124) 1.428 1.795 ( -3.317 2.059 0.173) 3.908 1.971 ( -5.363 1.019 -0.244) 5.464 2.017 ( 1.470 0.279 0.220) 1.513 2.092 ( 3.770 -1.634 -0.074) 4.109 2.752 ( 2.402 -1.352 -0.009) 2.757 3.040 ( -0.414 -0.903 0.015) 0.993 3.123 ( -1.717 0.488 -0.005) 1.785 3.554 ( 0.114 -0.045 0.000) 0.123 3.638 ( -0.074 0.135 0.001) 0.153 4.045 ( -0.091 -0.311 -0.002) 0.324 4.536 ( -0.014 0.021 0.000) 0.025 5.082 ( -0.255 0.164 -0.004) 0.303 5.415 ( 0.212 0.006 0.015) 0.213 5.530 ( 0.084 0.239 -0.010) 0.254 5.895 ( 0.180 -0.005 -0.001) 0.180 6.236 ( -0.394 0.306 0.002) 0.499 7.865 ( 0.119 0.050 -0.001) 0.129 7.966 ( 0.200 -0.063 0.001) 0.210 7.971 ( -0.067 -0.017 0.000) 0.069 8.756 ( -0.015 -0.060 -0.001) 0.062 8.959 ( -0.444 0.357 -0.031) 0.570 9.193 ( 0.302 -0.790 0.030) 0.846 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 14.528 -8.784 -0.000) 16.977 1.283 ( 2.468 0.085 0.000) 2.469 1.349 ( 12.234 -8.686 -0.000) 15.004 1.573 ( -3.700 -0.733 -0.000) 3.772 1.731 ( 0.605 0.822 0.000) 1.020 1.977 ( -6.975 5.701 0.000) 9.009 1.998 ( 2.542 -0.027 -0.000) 2.542 2.039 ( -1.739 0.802 0.000) 1.915 2.255 ( -15.144 7.574 0.000) 16.933 2.498 ( 13.294 -7.915 -0.000) 15.472 3.046 ( -1.266 -0.760 -0.000) 1.476 3.337 ( -12.850 6.559 0.000) 14.428 3.539 ( 0.921 -0.312 -0.000) 0.972 3.679 ( -3.255 1.516 0.000) 3.591 4.036 ( 0.567 -0.793 -0.000) 0.974 4.533 ( 0.289 -0.065 -0.000) 0.296 4.998 ( 6.877 -3.891 -0.000) 7.901 5.462 ( -3.308 2.130 0.000) 3.935 5.513 ( 1.836 -0.331 -0.000) 1.866 5.799 ( 6.999 -4.163 -0.000) 8.144 6.336 ( -7.039 4.110 0.000) 8.151 7.855 ( 1.118 -0.159 -0.000) 1.129 7.924 ( 2.036 -1.429 -0.000) 2.487 8.003 ( -1.164 1.036 0.000) 1.558 8.756 ( 0.045 -0.010 -0.000) 0.046 8.947 ( 1.488 -1.091 -0.000) 1.845 9.191 ( -0.606 -0.122 -0.000) 0.618 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( -0.000 0.000 5.033) 5.033 0.475 ( -0.000 0.000 8.958) 8.958 0.746 ( -0.000 0.000 14.310) 14.310 1.735 ( 0.000 -0.000 -1.985) 1.985 1.749 ( -0.000 0.000 1.328) 1.328 1.773 ( 0.000 -0.000 -6.494) 6.494 1.848 ( 0.000 -0.000 -4.721) 4.721 2.357 ( 0.000 -0.000 -1.680) 1.680 2.365 ( -0.000 0.000 2.884) 2.884 3.084 ( -0.000 0.000 0.724) 0.724 3.116 ( 0.000 -0.000 -0.648) 0.648 3.530 ( -0.000 0.000 0.045) 0.045 3.920 ( -0.000 0.000 0.176) 0.176 3.945 ( -0.000 0.000 0.268) 0.268 4.019 ( -0.000 0.000 0.333) 0.333 4.484 ( 0.000 -0.000 -0.054) 0.054 4.532 ( 0.000 -0.000 -0.032) 0.032 5.296 ( -0.000 0.000 0.091) 0.091 5.345 ( 0.000 -0.000 -0.297) 0.297 5.587 ( -0.000 0.000 0.021) 0.021 6.798 ( 0.000 -0.000 -0.410) 0.410 7.735 ( 0.000 -0.000 -0.031) 0.031 7.805 ( -0.000 0.000 0.069) 0.069 8.108 ( -0.000 0.000 0.264) 0.264 8.743 ( -0.000 0.000 0.126) 0.126 8.760 ( -0.000 0.000 0.028) 0.028 9.266 ( -0.000 0.000 0.498) 0.498 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -9.245 12.137 3.113) 15.571 0.678 ( -5.887 2.630 10.085) 11.970 0.882 ( -11.151 3.073 3.687) 12.140 1.664 ( 4.740 -2.597 -0.941) 5.486 1.704 ( 3.663 -2.264 -0.295) 4.316 1.760 ( 0.547 1.294 0.005) 1.405 1.845 ( -5.149 2.486 -4.106) 7.040 2.329 ( 2.114 -0.400 -1.463) 2.602 2.376 ( 1.006 -0.986 0.360) 1.454 3.041 ( 4.602 -4.539 0.028) 6.464 3.096 ( 0.876 0.718 0.094) 1.136 3.529 ( 0.062 -0.166 0.034) 0.180 3.897 ( 1.702 -3.129 0.164) 3.566 3.933 ( 2.105 -0.212 0.042) 2.117 3.994 ( 2.073 0.124 0.365) 2.108 4.510 ( -2.194 -1.067 -0.033) 2.440 4.551 ( -1.857 3.044 -0.078) 3.566 5.329 ( -3.207 0.754 0.057) 3.295 5.374 ( -2.375 2.637 -0.213) 3.555 5.586 ( 0.360 0.038 0.011) 0.362 6.752 ( 3.732 -2.384 -0.357) 4.443 7.750 ( -1.431 0.512 -0.015) 1.520 7.814 ( -0.812 0.426 0.057) 0.919 8.097 ( 0.949 -0.713 0.419) 1.259 8.752 ( -0.669 -0.478 0.051) 0.824 8.771 ( -0.895 1.680 -0.011) 1.904 9.264 ( 0.313 -0.468 0.451) 0.722 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -2.160 -0.220 5.228) 5.661 0.818 ( -12.142 10.803 1.814) 16.353 1.182 ( -12.570 6.276 -2.148) 14.213 1.560 ( 4.477 -1.340 -0.575) 4.708 1.710 ( -2.993 -0.362 3.550) 4.658 1.779 ( -2.753 3.333 1.598) 4.609 1.927 ( -4.602 2.283 -3.867) 6.430 2.260 ( 3.812 -1.852 -1.013) 4.358 2.312 ( 4.403 -2.152 -0.558) 4.933 2.867 ( 9.610 -6.766 0.045) 11.753 3.088 ( 0.615 -0.294 0.150) 0.698 3.526 ( -0.024 -0.200 0.022) 0.203 3.795 ( 5.706 -6.502 0.102) 8.651 3.854 ( 6.053 0.080 -0.017) 6.054 3.996 ( -0.926 0.540 0.184) 1.088 4.520 ( -0.624 -0.550 -0.020) 0.832 4.658 ( -6.360 4.077 -0.062) 7.554 5.397 ( -3.752 0.861 -0.026) 3.850 5.475 ( -5.560 4.708 -0.055) 7.285 5.572 ( 1.215 -0.455 0.001) 1.297 6.635 ( 6.242 -3.883 -0.289) 7.357 7.788 ( -2.232 0.783 0.016) 2.365 7.839 ( -1.455 0.866 0.029) 1.694 8.073 ( 1.220 -1.008 0.304) 1.611 8.755 ( -0.236 -0.286 0.021) 0.372 8.817 ( -2.197 2.165 -0.140) 3.088 9.254 ( 0.537 -0.871 0.373) 1.090 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -11.450 4.255 0.652) 12.233 1.133 ( -12.939 9.740 0.890) 16.220 1.340 ( -4.636 2.370 0.332) 5.217 1.473 ( 4.186 -0.510 -1.388) 4.439 1.729 ( 0.336 0.306 0.158) 0.481 1.937 ( -1.511 1.727 1.470) 2.725 2.017 ( -6.409 -0.842 -0.894) 6.526 2.170 ( 5.100 -1.565 0.207) 5.338 2.241 ( -3.740 2.934 -0.785) 4.817 2.609 ( 12.926 -8.203 0.124) 15.310 3.071 ( 0.760 -0.939 0.053) 1.210 3.528 ( -0.278 -0.044 0.014) 0.282 3.593 ( 10.834 -6.722 -0.014) 12.750 3.758 ( 4.743 -1.473 -0.012) 4.966 4.020 ( -1.174 0.436 0.052) 1.253 4.526 ( -0.456 -0.053 -0.010) 0.459 4.821 ( -8.030 4.611 -0.051) 9.259 5.463 ( -3.042 1.082 -0.007) 3.228 5.533 ( 2.529 -1.389 0.000) 2.886 5.631 ( -7.460 5.108 -0.004) 9.041 6.480 ( 7.378 -4.377 -0.146) 8.579 7.830 ( -1.897 0.586 0.024) 1.985 7.878 ( -1.976 1.340 0.009) 2.388 8.043 ( 1.364 -1.188 0.098) 1.811 8.756 ( -0.130 -0.163 0.007) 0.208 8.875 ( -2.415 2.084 -0.139) 3.193 9.236 ( 0.714 -1.128 0.208) 1.351 ======================= Grid point 38 (27/171) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -14.704 6.555 0.000) 16.099 1.396 ( 3.860 -0.306 -0.000) 3.872 1.409 ( -6.999 2.198 0.000) 7.336 1.447 ( -8.509 7.642 0.000) 11.437 1.731 ( 0.012 0.872 0.000) 0.872 1.925 ( 6.717 -7.289 -0.000) 9.912 1.945 ( 0.076 -0.478 -0.000) 0.484 2.068 ( 4.364 -1.260 -0.000) 4.542 2.308 ( 13.513 -7.788 -0.000) 15.597 2.533 ( -16.078 8.864 0.000) 18.359 3.050 ( 0.418 -1.131 -0.000) 1.206 3.320 ( 13.285 -7.297 -0.000) 15.157 3.542 ( -0.867 0.390 0.000) 0.950 3.676 ( 3.275 -1.480 -0.000) 3.594 4.039 ( -0.744 0.108 0.000) 0.752 4.533 ( -0.315 0.105 0.000) 0.332 4.990 ( -6.913 3.980 0.000) 7.977 5.466 ( 3.378 -1.964 -0.000) 3.908 5.512 ( -1.661 0.814 0.000) 1.850 5.801 ( -7.015 4.345 0.000) 8.251 6.321 ( 6.660 -3.762 -0.000) 7.649 7.857 ( -0.917 0.277 0.000) 0.958 7.926 ( -2.018 1.480 0.000) 2.503 8.008 ( 1.492 -1.289 -0.000) 1.972 8.756 ( -0.071 -0.104 -0.000) 0.126 8.929 ( -1.877 1.506 0.000) 2.406 9.213 ( 0.765 -1.176 -0.000) 1.403 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -0.000 0.000 2.681) 2.681 0.575 ( -0.000 0.000 5.235) 5.235 0.909 ( -0.000 0.000 8.678) 8.678 1.698 ( 0.000 -0.000 -4.051) 4.051 1.715 ( 0.000 -0.000 -0.773) 0.773 1.765 ( -0.000 0.000 0.875) 0.875 1.784 ( 0.000 -0.000 -4.196) 4.196 2.336 ( 0.000 -0.000 -1.102) 1.102 2.395 ( -0.000 0.000 1.500) 1.500 3.092 ( -0.000 0.000 0.446) 0.446 3.109 ( 0.000 -0.000 -0.400) 0.400 3.530 ( -0.000 0.000 0.027) 0.027 3.922 ( -0.000 0.000 0.109) 0.109 3.948 ( -0.000 0.000 0.143) 0.143 4.023 ( -0.000 0.000 0.228) 0.228 4.484 ( 0.000 -0.000 -0.034) 0.034 4.532 ( 0.000 -0.000 -0.021) 0.021 5.297 ( -0.000 0.000 0.056) 0.056 5.341 ( 0.000 -0.000 -0.184) 0.184 5.588 ( -0.000 0.000 0.014) 0.014 6.793 ( 0.000 -0.000 -0.252) 0.252 7.735 ( 0.000 -0.000 -0.019) 0.019 7.805 ( -0.000 0.000 0.042) 0.042 8.111 ( -0.000 0.000 0.162) 0.162 8.745 ( -0.000 0.000 0.078) 0.078 8.760 ( -0.000 0.000 0.015) 0.015 9.272 ( -0.000 0.000 0.309) 0.309 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -8.753 12.431 1.129) 15.245 0.794 ( -13.039 4.959 5.923) 15.155 0.899 ( 0.330 -1.471 -0.912) 1.762 1.652 ( 3.799 -2.434 -0.456) 4.535 1.714 ( -0.833 -1.298 1.613) 2.232 1.748 ( -1.404 -1.109 -2.001) 2.684 1.804 ( -1.697 5.490 -1.364) 5.906 2.312 ( 1.837 -0.810 -0.688) 2.123 2.382 ( 2.117 -1.124 0.320) 2.418 3.041 ( 4.933 -4.190 -0.027) 6.472 3.097 ( 0.406 0.238 0.071) 0.476 3.529 ( 0.069 -0.161 0.013) 0.175 3.898 ( 1.700 -3.095 0.062) 3.532 3.933 ( 2.251 -0.218 0.014) 2.262 3.998 ( 1.944 -0.040 0.144) 1.950 4.509 ( -2.216 -1.048 -0.014) 2.452 4.550 ( -1.842 2.993 -0.034) 3.515 5.330 ( -3.176 0.731 0.021) 3.259 5.372 ( -2.397 2.713 -0.080) 3.621 5.586 ( 0.369 0.041 0.004) 0.371 6.748 ( 3.741 -2.403 -0.135) 4.448 7.750 ( -1.443 0.518 -0.006) 1.533 7.815 ( -0.801 0.438 0.021) 0.914 8.101 ( 0.865 -0.667 0.139) 1.101 8.753 ( -0.628 -0.460 0.019) 0.779 8.771 ( -0.852 1.635 -0.004) 1.844 9.269 ( 0.257 -0.512 0.173) 0.599 ======================= Grid point 48 (30/171) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -0.066 -1.450 -0.000) 1.451 0.831 ( -11.965 10.958 0.000) 16.224 1.163 ( -13.054 6.706 0.000) 14.676 1.555 ( 4.835 -1.601 -0.000) 5.093 1.736 ( -0.036 -0.590 -0.000) 0.591 1.799 ( -8.745 2.296 0.000) 9.042 1.891 ( -2.681 4.073 0.000) 4.876 2.252 ( 3.516 -1.982 -0.000) 4.036 2.309 ( 4.810 -2.143 -0.000) 5.265 2.867 ( 9.566 -6.712 -0.000) 11.686 3.089 ( 0.517 -0.486 -0.000) 0.710 3.526 ( -0.020 -0.193 -0.000) 0.194 3.796 ( 5.737 -6.511 -0.000) 8.678 3.854 ( 6.037 0.059 0.000) 6.037 3.997 ( -0.928 0.457 0.000) 1.034 4.520 ( -0.621 -0.548 -0.000) 0.829 4.658 ( -6.366 4.067 0.000) 7.554 5.397 ( -3.721 0.889 0.000) 3.826 5.474 ( -5.581 4.726 0.000) 7.313 5.572 ( 1.218 -0.452 -0.000) 1.299 6.633 ( 6.247 -3.891 -0.000) 7.360 7.788 ( -2.241 0.793 0.000) 2.378 7.839 ( -1.443 0.874 0.000) 1.687 8.075 ( 1.239 -1.025 -0.000) 1.608 8.755 ( -0.234 -0.288 -0.000) 0.370 8.816 ( -2.141 2.147 0.000) 3.032 9.256 ( 0.490 -0.918 -0.000) 1.041 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 0.000 0.000 -0.000) 0.000 0.612 ( 0.000 -0.000 -0.000) 0.000 0.971 ( -0.000 0.000 0.000) 0.000 1.669 ( -0.000 0.000 0.000) 0.000 1.713 ( -0.000 0.000 0.000) 0.000 1.749 ( -0.000 0.000 0.000) 0.000 1.771 ( -0.000 0.000 0.000) 0.000 2.328 ( -0.000 0.000 0.000) 0.000 2.406 ( -0.000 0.000 0.000) 0.000 3.095 ( -0.000 0.000 0.000) 0.000 3.106 ( -0.000 0.000 0.000) 0.000 3.530 ( -0.000 0.000 0.000) 0.000 3.923 ( -0.000 0.000 0.000) 0.000 3.949 ( -0.000 0.000 0.000) 0.000 4.024 ( -0.000 0.000 0.000) 0.000 4.483 ( -0.000 0.000 0.000) 0.000 4.532 ( -0.000 0.000 0.000) 0.000 5.297 ( -0.000 0.000 0.000) 0.000 5.340 ( -0.000 0.000 0.000) 0.000 5.588 ( -0.000 0.000 0.000) 0.000 6.792 ( -0.000 0.000 0.000) 0.000 7.735 ( -0.000 0.000 0.000) 0.000 7.806 ( -0.000 0.000 0.000) 0.000 8.112 ( -0.000 0.000 0.000) 0.000 8.745 ( -0.000 0.000 0.000) 0.000 8.760 ( -0.000 0.000 0.000) 0.000 9.274 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 108 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.162 ( -0.000 11.734 0.000) 11.734 0.333 ( -0.000 17.460 0.000) 17.460 0.655 ( -0.000 33.407 0.000) 33.407 1.439 ( 0.000 -6.979 -0.000) 6.979 1.801 ( -0.000 5.536 0.000) 5.536 1.801 ( -0.000 0.173 0.000) 0.173 2.000 ( 0.000 -0.393 -0.000) 0.393 2.208 ( 0.000 -2.412 -0.000) 2.412 2.604 ( 0.000 -4.283 -0.000) 4.283 3.003 ( 0.000 -5.828 -0.000) 5.828 3.128 ( 0.000 -0.815 -0.000) 0.815 3.525 ( 0.000 -0.345 -0.000) 0.345 3.888 ( 0.000 -2.635 -0.000) 2.635 3.908 ( 0.000 -3.432 -0.000) 3.432 4.016 ( -0.000 0.722 0.000) 0.722 4.488 ( -0.000 0.176 0.000) 0.176 4.569 ( -0.000 3.740 0.000) 3.740 5.315 ( -0.000 2.231 0.000) 2.231 5.395 ( -0.000 4.211 0.000) 4.211 5.588 ( -0.000 0.049 0.000) 0.049 6.766 ( 0.000 -4.543 -0.000) 4.543 7.746 ( -0.000 0.986 0.000) 0.986 7.809 ( -0.000 0.794 0.000) 0.794 8.057 ( 0.000 -0.557 -0.000) 0.557 8.740 ( -0.000 0.021 0.000) 0.021 8.786 ( -0.000 2.623 0.000) 2.623 9.246 ( 0.000 -0.615 -0.000) 0.615 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( -9.148 12.761 3.086) 16.002 0.599 ( -10.127 14.409 1.641) 17.688 1.093 ( -14.088 26.657 0.205) 30.151 1.365 ( 2.550 -5.124 3.115) 6.516 1.781 ( 2.532 0.709 -0.787) 2.745 1.801 ( 3.697 2.553 0.213) 4.498 2.029 ( -3.860 -0.570 -2.557) 4.665 2.200 ( -0.768 -4.621 2.175) 5.165 2.502 ( 4.588 -4.000 -2.029) 6.417 2.901 ( 4.375 -8.756 0.043) 9.788 3.106 ( 1.210 -0.567 -0.115) 1.341 3.521 ( -0.037 -0.350 0.017) 0.353 3.795 ( 4.240 -6.265 0.026) 7.565 3.911 ( -1.377 -2.375 -0.033) 2.745 3.996 ( 2.825 0.962 0.033) 2.984 4.501 ( -1.169 -0.014 -0.008) 1.169 4.633 ( -2.534 5.748 0.082) 6.282 5.362 ( -2.452 2.691 0.005) 3.640 5.463 ( -2.466 5.829 -0.030) 6.329 5.582 ( 0.689 -0.467 0.022) 0.833 6.686 ( 3.192 -6.105 -0.196) 6.892 7.768 ( -1.217 1.261 0.005) 1.753 7.827 ( -0.869 1.242 0.045) 1.517 8.049 ( 0.359 -0.793 0.324) 0.929 8.744 ( -0.424 -0.140 0.025) 0.447 8.825 ( -1.132 3.538 -0.056) 3.715 9.235 ( 0.479 -0.865 0.108) 0.995 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -12.658 13.920 1.226) 18.855 0.924 ( -12.304 11.896 1.618) 17.190 1.291 ( 1.438 -1.681 1.189) 2.512 1.561 ( -11.725 12.597 0.929) 17.234 1.731 ( 2.174 2.323 -2.227) 3.883 1.784 ( 0.814 4.247 2.027) 4.776 2.047 ( -1.767 -2.145 -2.306) 3.612 2.158 ( 2.290 -4.978 2.123) 5.876 2.378 ( 3.498 -3.181 -2.227) 5.226 2.696 ( 9.401 -9.871 0.004) 13.632 3.080 ( 0.956 -1.078 -0.160) 1.449 3.521 ( -0.241 -0.039 0.028) 0.246 3.642 ( 5.814 -8.459 -0.010) 10.264 3.865 ( 5.733 0.283 -0.045) 5.740 3.982 ( -1.539 -1.339 -0.014) 2.040 4.519 ( -0.818 0.363 -0.016) 0.895 4.763 ( -5.721 6.650 0.006) 8.772 5.434 ( -2.819 2.753 -0.001) 3.941 5.552 ( 1.807 -1.548 0.017) 2.379 5.583 ( -4.828 6.261 0.040) 7.906 6.551 ( 5.292 -6.695 -0.319) 8.539 7.805 ( -1.689 1.206 0.057) 2.076 7.861 ( -1.564 1.617 0.055) 2.250 8.034 ( 0.706 -0.929 0.269) 1.197 8.749 ( -0.341 -0.182 0.021) 0.387 8.883 ( -1.766 3.554 -0.214) 3.974 9.217 ( 0.675 -1.038 0.200) 1.255 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -13.955 13.670 -0.438) 19.540 1.225 ( -9.101 6.870 0.557) 11.416 1.300 ( -3.599 2.502 2.982) 5.302 1.603 ( 2.776 0.051 -2.684) 3.862 1.724 ( 0.479 -0.667 0.035) 0.822 1.945 ( -3.280 3.081 -0.078) 4.500 2.004 ( 3.020 -4.763 -1.494) 5.834 2.074 ( 2.876 -3.271 1.917) 4.759 2.384 ( -2.173 2.943 -0.997) 3.792 2.431 ( 6.814 -4.683 0.614) 8.291 3.052 ( 0.518 -1.791 -0.333) 1.894 3.439 ( 8.728 -8.808 -0.198) 12.402 3.533 ( -0.619 0.686 0.038) 0.925 3.760 ( 6.854 0.757 -0.051) 6.896 3.999 ( -2.569 -2.516 -0.104) 3.598 4.534 ( -0.300 0.839 -0.015) 0.891 4.931 ( -6.746 6.302 -0.103) 9.232 5.489 ( 2.274 -1.904 -0.029) 2.966 5.502 ( -1.096 1.708 0.175) 2.037 5.735 ( -6.246 5.710 0.069) 8.463 6.391 ( 6.073 -6.439 -0.312) 8.857 7.842 ( -1.298 1.029 0.119) 1.660 7.906 ( -1.923 1.639 0.045) 2.527 8.012 ( 1.039 -0.998 0.143) 1.448 8.752 ( -0.242 -0.161 -0.002) 0.291 8.939 ( -1.298 2.852 -0.351) 3.153 9.198 ( 0.465 -1.090 0.189) 1.200 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -2.121 0.494 1.795) 2.822 1.391 ( -8.044 9.920 -1.104) 12.819 1.477 ( -1.901 1.551 0.106) 2.456 1.592 ( -4.399 4.584 -1.048) 6.439 1.714 ( -0.788 -1.429 0.747) 1.795 1.828 ( 6.350 -6.189 -1.270) 8.958 1.964 ( -0.908 -1.374 -1.414) 2.171 2.027 ( 1.282 -2.056 0.634) 2.504 2.141 ( 9.643 -6.188 0.730) 11.481 2.686 ( -10.962 9.569 0.668) 14.566 3.028 ( -0.405 -2.031 -0.566) 2.146 3.195 ( 9.987 -6.738 -0.550) 12.060 3.556 ( -0.646 1.356 0.028) 1.503 3.674 ( 4.033 0.826 0.002) 4.117 4.011 ( -2.251 -3.167 -0.181) 3.889 4.544 ( 0.236 0.957 -0.000) 0.985 5.074 ( -3.333 4.152 -0.093) 5.326 5.417 ( 1.864 -2.634 0.116) 3.229 5.540 ( -0.163 2.135 0.150) 2.146 5.876 ( -4.086 3.663 0.110) 5.489 6.246 ( 3.648 -4.697 -0.135) 5.949 7.866 ( -0.418 0.887 0.107) 0.987 7.951 ( -1.751 1.002 0.045) 2.018 7.984 ( 1.329 -0.756 0.013) 1.529 8.754 ( -0.172 -0.145 -0.030) 0.226 8.970 ( 0.125 1.658 -0.150) 1.669 9.186 ( -0.230 -0.870 -0.147) 0.912 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 1.688 -0.551 0.033) 1.776 1.396 ( 10.543 -0.877 -0.688) 10.602 1.464 ( 2.252 -1.321 -0.185) 2.618 1.516 ( 7.432 -6.446 -0.956) 9.885 1.734 ( 0.368 -0.950 0.957) 1.398 1.873 ( -9.146 5.590 0.767) 10.746 1.987 ( 1.523 -0.396 1.271) 2.023 2.003 ( -4.667 0.083 -0.433) 4.687 2.133 ( -10.394 3.680 -1.023) 11.073 2.698 ( 13.977 -4.361 -0.935) 14.671 3.019 ( -1.498 -1.884 -0.803) 2.537 3.177 ( -10.765 4.204 0.152) 11.558 3.559 ( 1.380 0.374 0.000) 1.429 3.669 ( -0.970 3.269 0.078) 3.411 4.009 ( -1.639 -3.629 -0.252) 3.990 4.545 ( 0.657 0.789 0.022) 1.027 5.073 ( 5.342 -0.846 0.134) 5.410 5.421 ( -3.349 0.527 0.008) 3.391 5.547 ( 1.628 1.580 0.210) 2.279 5.874 ( 5.499 -1.996 0.005) 5.850 6.245 ( -5.866 0.766 0.247) 5.921 7.872 ( 0.667 0.694 0.039) 0.963 7.943 ( 1.637 -1.342 0.005) 2.116 7.994 ( -1.349 1.142 -0.070) 1.769 8.755 ( -0.122 -0.121 -0.050) 0.179 8.963 ( 1.842 0.299 0.321) 1.894 9.188 ( -1.025 -0.378 -0.691) 1.293 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 17.692 -3.981 -0.735) 18.149 1.206 ( 13.343 -7.356 -1.880) 15.352 1.319 ( 1.530 0.136 -1.640) 2.247 1.529 ( -3.355 0.048 2.625) 4.260 1.724 ( 0.310 -0.818 0.621) 1.073 1.955 ( 5.738 -1.077 0.481) 5.858 2.072 ( -7.064 2.269 -0.178) 7.421 2.073 ( -3.803 2.754 -0.028) 4.695 2.373 ( 10.272 -3.364 0.058) 10.809 2.419 ( -13.275 4.532 -0.903) 14.056 3.028 ( -2.178 -1.618 -0.918) 2.865 3.428 ( -13.439 2.974 0.031) 13.765 3.540 ( 0.957 0.148 0.027) 0.969 3.741 ( -2.395 4.970 0.018) 5.517 3.993 ( -0.997 -3.824 -0.320) 3.965 4.539 ( 0.756 0.569 0.038) 0.947 4.931 ( 8.899 -2.602 0.164) 9.274 5.494 ( -3.452 1.198 0.025) 3.654 5.522 ( 2.991 1.094 0.209) 3.192 5.722 ( 8.470 -3.610 0.005) 9.207 6.392 ( -8.702 2.253 0.422) 8.999 7.857 ( 1.763 0.343 -0.025) 1.797 7.900 ( 2.021 -1.080 0.011) 2.292 8.023 ( -1.217 0.723 -0.219) 1.432 8.755 ( -0.091 -0.065 -0.056) 0.125 8.923 ( 3.090 -0.614 0.519) 3.193 9.201 ( -1.394 0.017 -0.909) 1.665 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 16.910 -2.348 -2.231) 17.218 0.894 ( 15.292 -5.314 -1.919) 16.302 1.308 ( -0.147 0.536 -0.475) 0.731 1.592 ( 5.153 -0.786 1.762) 5.502 1.674 ( 12.641 -1.992 -3.364) 13.232 1.721 ( 0.615 -1.401 -0.338) 1.567 2.086 ( 0.220 0.277 0.446) 0.569 2.226 ( -5.695 3.254 0.790) 6.606 2.315 ( -3.483 -1.354 2.318) 4.398 2.713 ( -14.541 3.958 -0.266) 15.072 3.043 ( -1.922 -1.223 -0.838) 2.428 3.530 ( 0.347 0.190 0.015) 0.396 3.657 ( -12.133 0.809 -0.049) 12.160 3.828 ( -2.258 4.616 -0.066) 5.139 3.967 ( -0.518 -3.260 -0.368) 3.322 4.534 ( 0.490 0.408 0.038) 0.639 4.758 ( 9.078 -1.963 -0.016) 9.288 5.471 ( 4.164 1.132 0.229) 4.321 5.549 ( 2.548 -1.378 0.063) 2.897 5.552 ( 3.395 -1.286 -0.047) 3.631 6.556 ( -8.386 1.610 0.429) 8.550 7.822 ( 2.538 -0.105 -0.028) 2.540 7.860 ( 1.884 -0.460 0.006) 1.939 8.044 ( -1.013 0.366 -0.408) 1.152 8.756 ( -0.077 0.025 -0.047) 0.093 8.863 ( 3.641 -0.765 0.368) 3.739 9.219 ( -1.358 0.134 -0.742) 1.554 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 13.957 -0.000 -4.458) 14.652 0.590 ( 16.707 -0.000 -1.781) 16.802 1.090 ( 29.171 -0.000 -1.514) 29.210 1.416 ( -5.752 0.000 -5.570) 8.007 1.713 ( -4.104 0.000 1.825) 4.491 1.713 ( -0.073 0.000 -0.354) 0.362 2.076 ( 2.572 -0.000 2.158) 3.358 2.333 ( -3.992 0.000 0.867) 4.085 2.379 ( -3.267 0.000 1.282) 3.509 2.946 ( -10.998 0.000 0.151) 10.999 3.054 ( -0.912 0.000 -0.568) 1.075 3.528 ( 0.048 -0.000 0.000) 0.048 3.836 ( -9.038 0.000 -0.006) 9.038 3.886 ( -1.701 0.000 -0.049) 1.702 3.953 ( -0.391 0.000 -0.363) 0.533 4.532 ( 0.072 -0.000 0.025) 0.076 4.611 ( 7.196 -0.000 -0.180) 7.199 5.408 ( 6.591 -0.000 -0.050) 6.591 5.418 ( 3.541 -0.000 0.204) 3.547 5.576 ( -0.892 0.000 0.008) 0.892 6.692 ( -6.630 0.000 0.338) 6.638 7.780 ( 2.359 -0.000 -0.003) 2.359 7.830 ( 1.541 -0.000 -0.020) 1.541 8.057 ( -0.808 0.000 -0.606) 1.010 8.757 ( -0.079 0.000 -0.029) 0.085 8.802 ( 3.318 -0.000 0.134) 3.320 9.236 ( -1.048 0.000 -0.436) 1.135 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 15.856 -0.000 0.000) 15.856 0.577 ( 16.968 -0.000 0.000) 16.968 1.080 ( 31.720 -0.000 0.000) 31.720 1.372 ( -5.642 0.000 -0.000) 5.642 1.711 ( 0.079 -0.000 0.000) 0.079 1.726 ( -4.110 0.000 -0.000) 4.110 2.091 ( 1.639 -0.000 0.000) 1.639 2.339 ( -4.019 0.000 -0.000) 4.019 2.389 ( -3.391 0.000 -0.000) 3.391 2.947 ( -11.098 0.000 -0.000) 11.098 3.050 ( -0.965 0.000 -0.000) 0.965 3.528 ( 0.055 -0.000 0.000) 0.055 3.836 ( -9.063 0.000 -0.000) 9.063 3.886 ( -1.706 0.000 -0.000) 1.706 3.950 ( -0.366 0.000 -0.000) 0.366 4.532 ( 0.074 -0.000 0.000) 0.074 4.610 ( 7.257 -0.000 0.000) 7.257 5.407 ( 6.597 -0.000 0.000) 6.597 5.420 ( 3.547 -0.000 0.000) 3.547 5.576 ( -0.888 0.000 -0.000) 0.888 6.694 ( -6.638 0.000 -0.000) 6.638 7.780 ( 2.351 -0.000 0.000) 2.351 7.830 ( 1.554 -0.000 0.000) 1.554 8.053 ( -0.592 0.000 -0.000) 0.592 8.757 ( -0.082 0.000 -0.000) 0.082 8.803 ( 3.377 -0.000 0.000) 3.377 9.232 ( -1.099 0.000 -0.000) 1.099 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( -0.000 5.882 12.493) 13.808 0.376 ( -0.000 15.553 5.659) 16.551 0.672 ( -0.000 31.920 2.404) 32.011 1.516 ( -0.000 -12.392 8.383) 14.961 1.787 ( 0.000 1.368 -1.113) 1.763 1.819 ( -0.000 3.576 1.637) 3.933 1.955 ( 0.000 -0.538 -5.622) 5.648 2.240 ( -0.000 -2.246 3.865) 4.471 2.549 ( 0.000 -0.928 -6.706) 6.770 3.006 ( 0.000 -5.982 0.385) 5.995 3.125 ( 0.000 -0.818 -0.403) 0.912 3.525 ( 0.000 -0.340 0.033) 0.342 3.889 ( 0.000 -2.647 0.091) 2.648 3.908 ( 0.000 -3.453 -0.031) 3.454 4.017 ( -0.000 0.697 0.080) 0.701 4.488 ( 0.000 0.179 -0.028) 0.181 4.571 ( -0.000 3.718 0.160) 3.722 5.316 ( -0.000 2.231 0.056) 2.231 5.394 ( -0.000 4.250 -0.132) 4.252 5.589 ( -0.000 0.061 0.030) 0.068 6.763 ( 0.000 -4.563 -0.343) 4.576 7.746 ( -0.000 0.990 -0.014) 0.990 7.810 ( -0.000 0.799 0.086) 0.804 8.067 ( -0.000 -1.260 1.111) 1.680 8.740 ( -0.000 0.017 0.072) 0.074 8.785 ( -0.000 2.615 -0.048) 2.615 9.247 ( -0.000 -0.646 0.228) 0.685 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -5.968 9.187 7.432) 13.238 0.641 ( -8.845 13.748 4.204) 16.879 1.099 ( -13.119 23.794 0.633) 27.178 1.436 ( 2.675 -5.654 6.329) 8.898 1.759 ( 3.330 0.555 -2.355) 4.117 1.805 ( 3.214 2.444 0.198) 4.043 1.979 ( -5.094 -0.253 -3.920) 6.433 2.242 ( 0.406 -3.958 3.335) 5.192 2.453 ( 3.451 -3.023 -4.702) 6.570 2.902 ( 4.459 -8.997 0.089) 10.042 3.103 ( 0.998 -0.658 -0.333) 1.241 3.522 ( -0.029 -0.343 0.047) 0.347 3.796 ( 4.195 -6.405 0.070) 7.657 3.910 ( -1.394 -2.448 -0.062) 2.818 3.997 ( 2.811 0.905 0.088) 2.955 4.501 ( -1.173 -0.016 -0.022) 1.173 4.634 ( -2.512 5.658 0.088) 6.192 5.363 ( -2.410 2.703 0.025) 3.621 5.463 ( -2.485 5.901 -0.070) 6.403 5.583 ( 0.697 -0.439 0.046) 0.825 6.681 ( 3.181 -6.110 -0.478) 6.905 7.768 ( -1.241 1.277 0.010) 1.780 7.828 ( -0.839 1.269 0.110) 1.525 8.057 ( 0.516 -1.093 0.701) 1.397 8.745 ( -0.400 -0.142 0.065) 0.430 8.823 ( -1.090 3.475 -0.138) 3.644 9.237 ( 0.419 -0.979 0.285) 1.103 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -10.660 11.988 2.382) 16.218 0.955 ( -11.284 11.594 2.841) 16.426 1.307 ( 0.220 0.235 0.964) 1.016 1.574 ( -6.398 6.746 0.613) 9.318 1.701 ( 0.318 2.745 -1.684) 3.236 1.816 ( -1.073 6.203 2.558) 6.795 2.013 ( -2.776 -1.972 -2.470) 4.206 2.188 ( 3.471 -4.419 2.003) 5.966 2.337 ( 2.691 -2.539 -3.483) 5.081 2.696 ( 9.066 -10.252 -0.061) 13.686 3.077 ( 0.866 -1.281 -0.289) 1.573 3.522 ( -0.235 -0.040 0.048) 0.243 3.642 ( 5.823 -8.604 -0.017) 10.389 3.864 ( 5.700 0.253 -0.067) 5.706 3.982 ( -1.515 -1.473 -0.021) 2.113 4.519 ( -0.814 0.370 -0.026) 0.895 4.762 ( -5.673 6.569 -0.043) 8.680 5.434 ( -2.806 2.796 0.017) 3.961 5.552 ( 1.703 -1.444 0.042) 2.233 5.584 ( -4.735 6.271 0.039) 7.858 6.545 ( 5.245 -6.651 -0.501) 8.485 7.806 ( -1.726 1.242 0.088) 2.128 7.862 ( -1.514 1.643 0.088) 2.236 8.039 ( 0.830 -1.100 0.408) 1.437 8.749 ( -0.320 -0.192 0.031) 0.375 8.879 ( -1.688 3.482 -0.341) 3.885 9.220 ( 0.572 -1.245 0.325) 1.408 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -13.263 12.869 -0.451) 18.485 1.242 ( -8.285 6.283 1.829) 10.558 1.342 ( -4.031 3.350 2.986) 6.032 1.558 ( 2.651 0.116 -3.619) 4.487 1.725 ( -0.107 -0.220 0.055) 0.251 1.944 ( -0.867 -0.308 -0.131) 0.929 1.983 ( 2.545 -3.984 -1.553) 4.976 2.099 ( 3.519 -3.194 1.555) 5.000 2.375 ( -4.331 4.520 -0.222) 6.264 2.436 ( 6.410 -5.075 0.063) 8.176 3.046 ( 0.476 -2.088 -0.430) 2.185 3.436 ( 8.932 -8.902 -0.246) 12.613 3.533 ( -0.633 0.655 0.049) 0.912 3.759 ( 6.843 0.773 -0.062) 6.887 3.998 ( -2.604 -2.675 -0.129) 3.736 4.534 ( -0.303 0.853 -0.019) 0.905 4.929 ( -6.710 6.294 -0.143) 9.201 5.489 ( 2.043 -1.597 0.102) 2.595 5.503 ( -0.898 1.524 0.084) 1.771 5.736 ( -6.249 5.784 0.083) 8.515 6.386 ( 5.987 -6.334 -0.382) 8.724 7.843 ( -1.281 1.068 0.144) 1.674 7.907 ( -1.898 1.655 0.056) 2.519 8.014 ( 1.135 -1.110 0.174) 1.597 8.752 ( -0.231 -0.185 -0.005) 0.296 8.933 ( -1.340 2.869 -0.446) 3.198 9.201 ( 0.442 -1.422 0.249) 1.509 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -1.492 0.960 2.155) 2.791 1.376 ( -8.213 9.207 -0.953) 12.374 1.472 ( 0.426 0.275 -0.950) 1.077 1.582 ( -6.635 5.211 -0.250) 8.441 1.725 ( -0.960 -0.802 0.805) 1.487 1.809 ( 5.252 -5.907 -1.409) 8.029 1.945 ( -0.533 -1.436 -1.261) 1.984 2.034 ( 1.727 -1.957 0.408) 2.641 2.150 ( 9.035 -6.771 0.602) 11.307 2.696 ( -10.662 9.207 0.727) 14.106 3.020 ( -0.490 -2.445 -0.601) 2.565 3.187 ( 10.052 -6.760 -0.556) 12.127 3.556 ( -0.640 1.305 0.028) 1.454 3.674 ( 3.987 0.897 0.003) 4.087 4.009 ( -2.289 -3.311 -0.182) 4.029 4.544 ( 0.228 0.974 0.000) 1.000 5.072 ( -3.424 4.224 -0.099) 5.438 5.419 ( 1.913 -2.623 0.134) 3.249 5.542 ( -0.146 2.258 0.137) 2.266 5.878 ( -4.037 3.690 0.108) 5.470 6.244 ( 3.469 -4.529 -0.133) 5.707 7.868 ( -0.348 0.916 0.106) 0.986 7.952 ( -1.741 1.032 0.046) 2.024 7.984 ( 1.396 -0.844 0.014) 1.632 8.754 ( -0.171 -0.175 -0.032) 0.247 8.967 ( -0.150 1.851 -0.206) 1.868 9.184 ( -0.056 -1.350 -0.092) 1.355 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 3.206 -0.620 -0.231) 3.273 1.387 ( 10.384 -1.304 -0.459) 10.475 1.460 ( 5.521 -3.742 -0.462) 6.686 1.508 ( 2.443 -4.329 -0.104) 4.972 1.745 ( 0.780 -0.275 0.595) 1.019 1.884 ( -9.370 5.590 0.750) 10.936 1.995 ( -4.208 -0.531 -0.452) 4.265 2.007 ( -0.276 0.505 1.247) 1.373 2.118 ( -9.359 3.385 -1.112) 10.015 2.686 ( 14.619 -4.724 -0.739) 15.381 3.009 ( -1.660 -2.412 -0.646) 2.998 3.179 ( -11.069 4.073 0.110) 11.795 3.559 ( 1.387 0.415 0.001) 1.448 3.670 ( -0.965 3.271 0.063) 3.411 4.006 ( -1.660 -3.759 -0.205) 4.114 4.545 ( 0.651 0.807 0.018) 1.036 5.074 ( 5.236 -0.775 0.101) 5.294 5.421 ( -3.274 0.530 0.024) 3.317 5.550 ( 1.669 1.714 0.158) 2.398 5.874 ( 5.551 -1.984 0.003) 5.894 6.248 ( -6.032 0.896 0.202) 6.101 7.873 ( 0.736 0.711 0.030) 1.024 7.943 ( 1.677 -1.310 0.004) 2.128 7.993 ( -1.304 1.079 -0.054) 1.694 8.754 ( -0.129 -0.149 -0.042) 0.201 8.967 ( 1.607 0.514 0.219) 1.702 9.179 ( -0.886 -0.811 -0.521) 1.309 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 18.016 -4.599 -0.400) 18.598 1.185 ( 13.544 -7.803 -1.085) 15.669 1.300 ( 1.572 0.521 -0.980) 1.924 1.558 ( -4.191 0.069 1.544) 4.467 1.731 ( 0.693 -0.517 0.346) 0.932 1.963 ( 8.767 -1.436 0.573) 8.902 2.054 ( -2.961 0.007 -1.267) 3.220 2.084 ( -7.534 4.639 0.640) 8.871 2.377 ( 7.106 -2.730 0.545) 7.632 2.406 ( -13.139 4.733 -0.902) 13.995 3.017 ( -2.381 -2.114 -0.574) 3.235 3.428 ( -13.412 2.794 0.017) 13.699 3.540 ( 0.974 0.206 0.018) 0.996 3.741 ( -2.360 4.920 0.011) 5.456 3.989 ( -0.998 -3.938 -0.197) 4.067 4.540 ( 0.754 0.581 0.023) 0.952 4.933 ( 8.957 -2.610 0.091) 9.330 5.494 ( -3.595 1.200 0.038) 3.790 5.524 ( 3.184 1.246 0.108) 3.421 5.722 ( 8.462 -3.608 0.004) 9.198 6.397 ( -8.764 2.290 0.262) 9.062 7.857 ( 1.799 0.353 -0.016) 1.834 7.900 ( 2.030 -1.043 0.007) 2.282 8.020 ( -1.105 0.664 -0.137) 1.296 8.755 ( -0.099 -0.082 -0.035) 0.133 8.929 ( 3.090 -0.546 0.316) 3.154 9.190 ( -1.444 -0.183 -0.559) 1.560 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 18.227 -2.787 -0.791) 18.456 0.875 ( 15.466 -5.433 -0.727) 16.409 1.304 ( -1.644 0.910 -0.148) 1.885 1.592 ( 22.130 -3.078 -0.912) 22.362 1.656 ( -0.336 -0.883 0.131) 0.954 1.719 ( 0.285 -0.789 -0.042) 0.840 2.089 ( -1.443 0.226 0.052) 1.461 2.234 ( -5.445 3.718 0.318) 6.601 2.339 ( -3.457 -1.576 0.931) 3.911 2.711 ( -14.764 4.200 -0.115) 15.350 3.034 ( -2.104 -1.530 -0.324) 2.622 3.530 ( 0.366 0.218 0.006) 0.426 3.657 ( -12.143 0.776 -0.019) 12.168 3.827 ( -2.228 4.606 -0.025) 5.117 3.964 ( -0.505 -3.361 -0.140) 3.402 4.534 ( 0.493 0.413 0.014) 0.643 4.758 ( 9.195 -1.990 -0.021) 9.408 5.474 ( 4.230 1.224 0.088) 4.404 5.550 ( 1.951 -1.062 0.082) 2.223 5.551 ( 3.956 -1.635 -0.075) 4.281 6.560 ( -8.412 1.615 0.168) 8.567 7.822 ( 2.533 -0.093 -0.011) 2.534 7.860 ( 1.904 -0.451 0.002) 1.957 8.040 ( -0.859 0.327 -0.164) 0.934 8.756 ( -0.083 0.020 -0.018) 0.087 8.866 ( 3.736 -0.763 0.141) 3.816 9.211 ( -1.456 0.080 -0.284) 1.486 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -0.000 4.267 12.237) 12.960 0.474 ( -0.000 12.470 7.987) 14.809 0.720 ( -0.000 26.472 4.393) 26.834 1.614 ( -0.000 -12.682 5.183) 13.701 1.769 ( 0.000 0.741 -1.495) 1.668 1.841 ( -0.000 3.041 1.306) 3.309 1.864 ( 0.000 -0.597 -7.069) 7.094 2.297 ( -0.000 -2.140 3.943) 4.487 2.452 ( 0.000 1.059 -6.558) 6.643 3.012 ( 0.000 -6.275 0.509) 6.296 3.117 ( 0.000 -0.824 -0.652) 1.051 3.526 ( -0.000 -0.329 0.054) 0.334 3.891 ( 0.000 -2.677 0.147) 2.681 3.908 ( 0.000 -3.687 0.100) 3.688 4.018 ( -0.000 0.619 0.139) 0.634 4.487 ( 0.000 0.188 -0.046) 0.193 4.572 ( -0.000 3.799 -0.023) 3.799 5.317 ( -0.000 2.229 0.090) 2.231 5.392 ( -0.000 4.353 -0.192) 4.357 5.589 ( -0.000 0.086 0.035) 0.093 6.757 ( 0.000 -4.650 -0.480) 4.674 7.746 ( -0.000 1.000 -0.022) 1.000 7.811 ( -0.000 0.837 0.112) 0.845 8.081 ( -0.000 -1.572 0.902) 1.812 8.742 ( -0.000 0.006 0.117) 0.117 8.785 ( -0.000 2.549 -0.045) 2.549 9.252 ( -0.000 -0.753 0.388) 0.847 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -2.576 5.136 9.010) 10.686 0.708 ( -6.965 13.137 5.079) 15.712 1.105 ( -11.904 19.877 0.100) 23.169 1.523 ( 2.178 -4.883 5.903) 7.964 1.718 ( 3.790 0.182 -3.366) 5.072 1.801 ( 1.083 1.975 -0.911) 2.430 1.934 ( -4.646 1.358 -2.273) 5.348 2.284 ( 1.698 -3.413 2.531) 4.576 2.384 ( 2.159 -2.547 -4.865) 5.901 2.903 ( 4.572 -9.373 0.070) 10.429 3.097 ( 0.677 -0.806 -0.443) 1.142 3.523 ( -0.017 -0.328 0.060) 0.334 3.797 ( 4.135 -6.625 0.087) 7.810 3.909 ( -1.387 -2.579 -0.045) 2.929 3.998 ( 2.789 0.809 0.111) 2.906 4.501 ( -1.180 -0.015 -0.029) 1.180 4.635 ( -2.534 5.611 -0.050) 6.157 5.363 ( -2.352 2.714 0.047) 3.592 5.462 ( -2.507 6.031 -0.070) 6.532 5.583 ( 0.706 -0.410 0.038) 0.817 6.674 ( 3.177 -6.145 -0.544) 6.939 7.768 ( -1.276 1.302 0.009) 1.823 7.829 ( -0.800 1.315 0.126) 1.545 8.067 ( 0.640 -1.340 0.676) 1.632 8.746 ( -0.361 -0.147 0.079) 0.398 8.821 ( -1.018 3.363 -0.160) 3.517 9.242 ( 0.325 -1.166 0.356) 1.262 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -7.987 9.337 2.958) 12.638 0.998 ( -10.170 11.383 3.151) 15.587 1.313 ( -1.885 2.844 -0.146) 3.415 1.568 ( 0.695 1.253 -1.555) 2.115 1.694 ( -2.565 2.411 0.719) 3.593 1.853 ( -3.717 7.697 2.573) 8.926 1.981 ( -2.831 -1.248 -1.953) 3.659 2.211 ( 4.168 -3.689 1.184) 5.691 2.288 ( 1.827 -2.116 -3.287) 4.315 2.694 ( 8.724 -10.750 -0.131) 13.845 3.072 ( 0.742 -1.527 -0.319) 1.728 3.523 ( -0.225 -0.037 0.052) 0.234 3.642 ( 5.831 -8.784 -0.018) 10.544 3.863 ( 5.667 0.215 -0.062) 5.671 3.981 ( -1.481 -1.634 -0.020) 2.205 4.519 ( -0.810 0.380 -0.025) 0.895 4.761 ( -5.646 6.511 -0.098) 8.619 5.435 ( -2.796 2.850 0.038) 3.993 5.553 ( 1.690 -1.414 0.061) 2.204 5.584 ( -4.726 6.372 0.007) 7.934 6.538 ( 5.198 -6.609 -0.486) 8.422 7.807 ( -1.772 1.287 0.084) 2.192 7.863 ( -1.455 1.674 0.087) 2.220 8.045 ( 0.955 -1.274 0.379) 1.637 8.750 ( -0.293 -0.205 0.028) 0.359 8.875 ( -1.589 3.391 -0.336) 3.759 9.225 ( 0.444 -1.500 0.326) 1.598 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -12.422 11.871 -0.298) 17.185 1.273 ( -8.242 6.330 2.492) 10.687 1.379 ( -4.270 4.117 2.208) 6.329 1.507 ( 2.783 0.001 -3.635) 4.578 1.725 ( -0.491 -0.188 0.043) 0.527 1.941 ( 1.374 -3.706 -0.219) 3.959 1.963 ( 1.961 -2.511 -1.160) 3.391 2.115 ( 4.277 -3.363 0.813) 5.501 2.378 ( -7.274 6.753 0.637) 9.946 2.433 ( 6.896 -6.344 -0.465) 9.382 3.041 ( 0.440 -2.376 -0.363) 2.443 3.432 ( 9.137 -8.999 -0.199) 12.826 3.534 ( -0.646 0.624 0.041) 0.899 3.759 ( 6.834 0.788 -0.050) 6.879 3.996 ( -2.635 -2.831 -0.105) 3.869 4.534 ( -0.307 0.867 -0.015) 0.920 4.927 ( -6.685 6.298 -0.128) 9.186 5.491 ( 2.173 -1.761 0.197) 2.804 5.504 ( -1.059 1.807 -0.041) 2.095 5.737 ( -6.254 5.856 0.065) 8.568 6.381 ( 5.905 -6.232 -0.307) 8.591 7.845 ( -1.264 1.108 0.115) 1.685 7.908 ( -1.876 1.670 0.046) 2.512 8.017 ( 1.227 -1.217 0.139) 1.733 8.752 ( -0.220 -0.208 -0.007) 0.303 8.927 ( -1.364 2.873 -0.370) 3.202 9.204 ( 0.403 -1.741 0.212) 1.800 ======================= Grid point 134 (54/171) ======================= q-point: ( 0.70 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -4.924 6.056 0.380) 7.815 1.374 ( -3.161 3.555 1.272) 4.924 1.451 ( -0.447 0.365 -1.826) 1.915 1.584 ( -6.760 4.915 0.346) 8.365 1.735 ( -1.199 -0.113 0.506) 1.306 1.791 ( 4.276 -5.844 -0.976) 7.307 1.931 ( -0.203 -1.509 -0.738) 1.692 2.038 ( 1.895 -1.819 0.175) 2.632 2.157 ( 8.693 -7.259 0.319) 11.330 2.705 ( -10.402 8.915 0.481) 13.708 3.013 ( -0.547 -2.794 -0.392) 2.874 3.180 ( 10.095 -6.777 -0.346) 12.164 3.557 ( -0.635 1.262 0.017) 1.413 3.674 ( 3.949 0.953 0.002) 4.062 4.007 ( -2.317 -3.426 -0.113) 4.138 4.544 ( 0.222 0.988 0.000) 1.013 5.071 ( -3.496 4.283 -0.063) 5.529 5.421 ( 1.947 -2.626 0.092) 3.271 5.544 ( -0.131 2.366 0.078) 2.371 5.879 ( -3.996 3.711 0.065) 5.454 6.242 ( 3.323 -4.393 -0.081) 5.508 7.869 ( -0.292 0.940 0.064) 0.986 7.952 ( -1.734 1.055 0.029) 2.030 7.984 ( 1.451 -0.914 0.009) 1.715 8.753 ( -0.171 -0.200 -0.021) 0.264 8.964 ( -0.354 1.990 -0.155) 2.028 9.184 ( 0.069 -1.724 -0.029) 1.725 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 3.940 -0.624 -0.139) 3.992 1.383 ( 10.184 -1.527 -0.144) 10.299 1.453 ( 8.193 -5.694 -0.299) 9.982 1.510 ( -0.972 -2.623 0.145) 2.801 1.751 ( 0.945 0.120 0.193) 0.972 1.892 ( -9.384 5.604 0.319) 10.935 1.989 ( -5.248 -0.169 -0.238) 5.256 2.021 ( -0.159 0.227 0.654) 0.710 2.105 ( -8.658 3.271 -0.584) 9.274 2.678 ( 14.994 -4.936 -0.277) 15.787 3.003 ( -1.766 -2.748 -0.247) 3.276 3.180 ( -11.248 3.993 0.039) 11.936 3.559 ( 1.390 0.440 0.000) 1.458 3.670 ( -0.961 3.271 0.024) 3.410 4.004 ( -1.672 -3.838 -0.078) 4.187 4.545 ( 0.647 0.817 0.007) 1.042 5.075 ( 5.172 -0.732 0.037) 5.223 5.421 ( -3.232 0.527 0.013) 3.275 5.551 ( 1.699 1.801 0.058) 2.477 5.874 ( 5.581 -1.975 0.001) 5.920 6.250 ( -6.134 0.975 0.078) 6.211 7.873 ( 0.779 0.721 0.011) 1.061 7.943 ( 1.701 -1.291 0.002) 2.135 7.992 ( -1.276 1.041 -0.020) 1.646 8.754 ( -0.133 -0.165 -0.016) 0.213 8.969 ( 1.449 0.656 0.072) 1.592 9.174 ( -0.786 -1.090 -0.189) 1.357 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 18.122 -4.834 -0.000) 18.756 1.177 ( 13.622 -8.012 -0.000) 15.804 1.293 ( 1.583 0.703 0.000) 1.732 1.569 ( -4.477 0.073 0.000) 4.477 1.733 ( 0.815 -0.414 -0.000) 0.914 1.967 ( 10.574 -1.580 -0.000) 10.691 2.044 ( -3.335 -0.118 -0.000) 3.337 2.089 ( -7.610 4.627 0.000) 8.906 2.383 ( 9.271 -4.178 -0.000) 10.169 2.397 ( -16.501 6.515 0.000) 17.740 3.013 ( -2.458 -2.307 -0.000) 3.371 3.428 ( -13.402 2.725 0.000) 13.676 3.540 ( 0.980 0.229 0.000) 1.007 3.741 ( -2.347 4.900 0.000) 5.433 3.987 ( -0.999 -3.981 -0.000) 4.104 4.540 ( 0.753 0.585 0.000) 0.954 4.933 ( 8.982 -2.615 -0.000) 9.354 5.494 ( -3.669 1.193 0.000) 3.858 5.525 ( 3.277 1.311 0.000) 3.530 5.722 ( 8.458 -3.607 -0.000) 9.195 6.398 ( -8.789 2.304 0.000) 9.086 7.857 ( 1.813 0.357 0.000) 1.848 7.900 ( 2.033 -1.030 -0.000) 2.279 8.019 ( -1.060 0.640 0.000) 1.239 8.754 ( -0.101 -0.088 -0.000) 0.135 8.931 ( 3.087 -0.518 -0.000) 3.130 9.186 ( -1.461 -0.263 -0.000) 1.485 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 9.833 -0.000 7.324) 12.261 0.623 ( 16.110 -0.000 2.792) 16.350 1.118 ( 23.937 -0.000 2.157) 24.034 1.503 ( -5.169 0.000 6.235) 8.099 1.682 ( -3.645 0.000 -2.285) 4.302 1.720 ( -0.491 0.000 0.590) 0.768 2.034 ( 4.496 -0.000 -3.794) 5.883 2.316 ( -3.904 0.000 -1.438) 4.160 2.359 ( -3.421 0.000 -1.429) 3.707 2.943 ( -10.739 0.000 -0.250) 10.742 3.064 ( -0.775 0.000 0.904) 1.190 3.528 ( 0.026 -0.000 0.007) 0.027 3.836 ( -8.976 0.000 0.007) 8.976 3.887 ( -1.707 0.000 0.099) 1.710 3.959 ( -0.453 0.000 0.588) 0.743 4.531 ( 0.067 -0.000 -0.041) 0.078 4.614 ( 7.138 -0.000 0.123) 7.139 5.409 ( 6.578 -0.000 0.083) 6.579 5.414 ( 3.523 -0.000 -0.327) 3.538 5.576 ( -0.904 0.000 -0.012) 0.904 6.686 ( -6.639 0.000 -0.497) 6.658 7.780 ( 2.378 -0.000 0.004) 2.378 7.830 ( 1.510 -0.000 0.031) 1.510 8.067 ( -1.135 0.000 0.766) 1.369 8.758 ( -0.072 0.000 0.045) 0.085 8.799 ( 3.152 -0.000 -0.204) 3.158 9.244 ( -0.916 0.000 0.706) 1.156 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -0.000 10.333 7.476) 12.754 0.599 ( -0.000 11.063 8.549) 13.981 0.790 ( -0.000 14.087 5.549) 15.141 1.661 ( -0.000 -8.664 1.923) 8.875 1.747 ( 0.000 -0.093 -1.524) 1.527 1.768 ( 0.000 -0.579 -6.486) 6.512 1.852 ( -0.000 4.154 0.337) 4.168 2.345 ( -0.000 -2.121 2.887) 3.582 2.375 ( 0.000 0.013 -4.486) 4.486 3.019 ( 0.000 -6.639 0.466) 6.655 3.108 ( 0.000 -0.832 -0.653) 1.057 3.526 ( -0.000 -0.315 0.053) 0.320 3.893 ( 0.000 -2.715 0.148) 2.719 3.910 ( 0.000 -3.985 0.144) 3.988 4.020 ( -0.000 0.502 0.149) 0.524 4.486 ( 0.000 0.199 -0.046) 0.204 4.571 ( -0.000 3.814 -0.125) 3.816 5.318 ( -0.000 2.227 0.089) 2.228 5.389 ( -0.000 4.495 -0.180) 4.499 5.589 ( -0.000 0.102 0.027) 0.105 6.751 ( 0.000 -4.733 -0.450) 4.755 7.745 ( -0.000 1.013 -0.022) 1.013 7.813 ( -0.000 0.884 0.101) 0.890 8.091 ( -0.000 -1.433 0.563) 1.540 8.743 ( -0.000 -0.008 0.116) 0.117 8.784 ( -0.000 2.457 -0.035) 2.457 9.257 ( -0.000 -0.895 0.397) 0.979 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.012 1.500 8.266) 8.401 0.774 ( -5.169 13.036 4.107) 14.613 1.096 ( -10.781 16.774 -1.461) 19.993 1.591 ( 1.958 -3.033 3.384) 4.949 1.678 ( 1.947 -0.307 -1.741) 2.630 1.778 ( -2.018 1.215 -2.396) 3.360 1.917 ( -2.076 3.702 -0.351) 4.259 2.302 ( 2.782 -2.609 -1.065) 3.960 2.335 ( 1.263 -3.333 -0.979) 3.697 2.904 ( 4.673 -9.736 0.027) 10.800 3.091 ( 0.374 -0.978 -0.368) 1.110 3.523 ( -0.005 -0.311 0.049) 0.315 3.798 ( 4.084 -6.841 0.070) 7.967 3.909 ( -1.360 -2.709 -0.022) 3.032 3.999 ( 2.767 0.707 0.090) 2.858 4.500 ( -1.187 -0.011 -0.024) 1.187 4.633 ( -2.576 5.599 -0.119) 6.165 5.364 ( -2.305 2.724 0.047) 3.569 5.461 ( -2.524 6.176 -0.045) 6.672 5.584 ( 0.713 -0.400 0.018) 0.817 6.667 ( 3.179 -6.192 -0.417) 6.973 7.768 ( -1.308 1.327 0.006) 1.863 7.831 ( -0.768 1.360 0.097) 1.565 8.075 ( 0.687 -1.445 0.451) 1.663 8.747 ( -0.319 -0.152 0.063) 0.359 8.819 ( -0.945 3.248 -0.124) 3.385 9.247 ( 0.234 -1.355 0.291) 1.405 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -5.541 6.819 2.202) 9.058 1.037 ( -9.382 11.431 2.151) 14.944 1.306 ( -3.910 5.114 -0.688) 6.474 1.542 ( 3.391 -0.615 -1.690) 3.839 1.710 ( -1.902 0.150 1.196) 2.252 1.882 ( -7.319 7.446 1.394) 10.533 1.962 ( -1.170 0.508 -0.761) 1.485 2.217 ( 3.123 -1.949 -0.409) 3.704 2.255 ( 2.442 -3.027 -1.177) 4.063 2.693 ( 8.487 -11.181 -0.113) 14.038 3.069 ( 0.635 -1.728 -0.210) 1.853 3.523 ( -0.216 -0.033 0.033) 0.221 3.641 ( 5.836 -8.931 -0.012) 10.668 3.862 ( 5.644 0.183 -0.036) 5.647 3.981 ( -1.450 -1.760 -0.012) 2.281 4.518 ( -0.807 0.387 -0.015) 0.895 4.760 ( -5.644 6.489 -0.084) 8.600 5.435 ( -2.795 2.896 0.033) 4.025 5.554 ( 1.775 -1.474 0.048) 2.308 5.584 ( -4.809 6.531 -0.012) 8.111 6.533 ( 5.166 -6.583 -0.294) 8.373 7.808 ( -1.810 1.323 0.050) 2.243 7.864 ( -1.410 1.700 0.053) 2.209 8.049 ( 1.038 -1.391 0.222) 1.750 8.750 ( -0.270 -0.215 0.015) 0.345 8.871 ( -1.507 3.314 -0.205) 3.646 9.229 ( 0.340 -1.705 0.202) 1.751 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -11.835 11.159 -0.098) 16.267 1.304 ( -9.140 7.074 1.479) 11.652 1.401 ( -4.409 4.475 0.900) 6.346 1.465 ( 3.629 -0.459 -1.950) 4.145 1.726 ( -0.636 -0.407 0.012) 0.755 1.938 ( 2.984 -6.336 -0.178) 7.006 1.953 ( 1.239 -0.794 -0.362) 1.515 2.122 ( 4.713 -3.443 0.216) 5.841 2.388 ( -11.427 10.454 0.638) 15.500 2.425 ( 9.679 -9.635 -0.498) 13.666 3.037 ( 0.421 -2.549 -0.142) 2.587 3.431 ( 9.265 -9.061 -0.076) 12.960 3.535 ( -0.653 0.605 0.016) 0.890 3.758 ( 6.828 0.797 -0.019) 6.875 3.995 ( -2.653 -2.924 -0.040) 3.949 4.534 ( -0.309 0.875 -0.006) 0.928 4.926 ( -6.675 6.307 -0.052) 9.183 5.494 ( 2.722 -2.470 0.130) 3.678 5.503 ( -1.626 2.587 -0.069) 3.056 5.738 ( -6.259 5.900 0.024) 8.602 6.378 ( 5.855 -6.170 -0.117) 8.507 7.846 ( -1.255 1.133 0.044) 1.691 7.908 ( -1.862 1.679 0.017) 2.508 8.018 ( 1.282 -1.280 0.053) 1.812 8.752 ( -0.213 -0.222 -0.004) 0.308 8.924 ( -1.370 2.870 -0.143) 3.184 9.206 ( 0.372 -1.933 0.083) 1.970 ======================= Grid point 145 (62/171) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -7.563 8.468 0.000) 11.353 1.391 ( 2.434 0.375 0.000) 2.463 1.432 ( -3.512 1.124 0.000) 3.688 1.587 ( -6.358 4.638 0.000) 7.870 1.738 ( -1.322 0.222 0.000) 1.341 1.784 ( 3.875 -5.899 -0.000) 7.058 1.925 ( -0.075 -1.539 -0.000) 1.541 2.039 ( 1.931 -1.755 -0.000) 2.609 2.159 ( 8.588 -7.451 -0.000) 11.369 2.709 ( -10.300 8.806 0.000) 13.551 3.010 ( -0.565 -2.933 -0.000) 2.986 3.178 ( 10.109 -6.783 -0.000) 12.174 3.557 ( -0.632 1.246 0.000) 1.397 3.674 ( 3.934 0.975 0.000) 4.053 4.006 ( -2.328 -3.469 -0.000) 4.178 4.544 ( 0.220 0.993 0.000) 1.017 5.071 ( -3.523 4.306 0.000) 5.564 5.421 ( 1.960 -2.630 -0.000) 3.280 5.544 ( -0.125 2.410 0.000) 2.413 5.879 ( -3.980 3.719 0.000) 5.447 6.242 ( 3.267 -4.340 -0.000) 5.432 7.869 ( -0.270 0.949 0.000) 0.986 7.953 ( -1.731 1.064 0.000) 2.032 7.984 ( 1.472 -0.940 -0.000) 1.746 8.753 ( -0.171 -0.209 -0.000) 0.270 8.963 ( -0.428 2.039 0.000) 2.083 9.183 ( 0.112 -1.862 -0.000) 1.865 ======================= Grid point 149 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 14.551 -1.634 3.212) 14.991 0.925 ( 15.047 -5.186 2.414) 16.098 1.315 ( 1.926 0.139 0.373) 1.966 1.553 ( -1.191 -0.152 -3.356) 3.564 1.712 ( 1.686 -0.059 0.616) 1.796 1.753 ( 12.673 -3.247 5.234) 14.090 2.074 ( 3.368 0.282 -1.423) 3.667 2.214 ( -5.978 2.401 -0.899) 6.505 2.280 ( -3.900 -0.902 -2.613) 4.780 2.717 ( -14.197 3.638 0.273) 14.658 3.056 ( -1.644 -0.754 1.019) 2.076 3.530 ( 0.315 0.148 -0.014) 0.348 3.658 ( -12.116 0.856 0.061) 12.147 3.829 ( -2.310 4.635 0.084) 5.180 3.973 ( -0.540 -3.095 0.458) 3.175 4.533 ( 0.486 0.401 -0.047) 0.632 4.758 ( 8.938 -1.930 -0.047) 9.144 5.468 ( 4.071 0.969 -0.282) 4.195 5.548 ( 2.469 -1.354 -0.015) 2.815 5.552 ( 3.518 -1.246 -0.001) 3.732 6.549 ( -8.359 1.605 -0.512) 8.527 7.822 ( 2.546 -0.123 0.035) 2.550 7.860 ( 1.850 -0.475 -0.007) 1.910 8.050 ( -1.215 0.421 0.466) 1.368 8.757 ( -0.066 0.035 0.056) 0.093 8.857 ( 3.484 -0.767 -0.453) 3.596 9.231 ( -1.201 0.222 0.916) 1.527 ======================= Grid point 150 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 15.511 -0.000 2.702) 15.745 0.664 ( 5.339 -0.000 8.379) 9.935 1.137 ( 18.801 -0.000 0.073) 18.801 1.570 ( -4.792 0.000 2.650) 5.476 1.669 ( -0.471 -0.000 1.409) 1.486 1.729 ( -1.052 0.000 0.616) 1.220 1.974 ( 5.976 -0.000 -4.811) 7.672 2.295 ( -3.757 0.000 -1.488) 4.041 2.342 ( -4.056 0.000 -0.961) 4.169 2.939 ( -10.427 0.000 -0.257) 10.430 3.077 ( -0.610 0.000 0.888) 1.077 3.528 ( -0.001 -0.000 0.012) 0.012 3.836 ( -8.902 0.000 0.004) 8.902 3.889 ( -1.732 0.000 0.114) 1.736 3.968 ( -0.528 0.000 0.589) 0.791 4.531 ( 0.060 -0.000 -0.041) 0.073 4.614 ( 7.141 -0.000 -0.003) 7.141 5.410 ( 3.499 -0.000 -0.326) 3.514 5.410 ( 6.565 -0.000 0.085) 6.566 5.576 ( -0.920 0.000 -0.011) 0.920 6.679 ( -6.674 0.000 -0.460) 6.690 7.780 ( 2.401 -0.000 0.004) 2.401 7.831 ( 1.474 -0.000 0.030) 1.474 8.077 ( -1.294 0.000 0.606) 1.428 8.759 ( -0.061 0.000 0.043) 0.074 8.796 ( 2.936 -0.000 -0.194) 2.942 9.254 ( -0.754 0.000 0.706) 1.033 ======================= Grid point 152 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -0.000 9.229 4.646) 10.332 0.685 ( -0.000 21.597 3.989) 21.962 0.863 ( -0.000 -0.663 4.273) 4.325 1.675 ( 0.000 -4.392 0.333) 4.405 1.692 ( 0.000 -0.579 -4.064) 4.105 1.728 ( 0.000 -1.530 -1.203) 1.946 1.855 ( -0.000 5.865 0.158) 5.867 2.328 ( 0.000 -1.363 -2.294) 2.668 2.375 ( -0.000 -2.124 1.499) 2.599 3.025 ( 0.000 -6.950 0.277) 6.955 3.100 ( 0.000 -0.838 -0.404) 0.930 3.527 ( 0.000 -0.303 0.032) 0.305 3.894 ( 0.000 -2.747 0.091) 2.748 3.912 ( 0.000 -4.196 0.094) 4.197 4.022 ( -0.000 0.390 0.097) 0.402 4.486 ( 0.000 0.208 -0.028) 0.210 4.569 ( -0.000 3.761 -0.098) 3.762 5.319 ( -0.000 2.225 0.054) 2.225 5.387 ( -0.000 4.621 -0.106) 4.622 5.590 ( -0.000 0.104 0.014) 0.105 6.746 ( 0.000 -4.784 -0.272) 4.791 7.745 ( -0.000 1.023 -0.014) 1.023 7.814 ( -0.000 0.919 0.060) 0.921 8.097 ( -0.000 -1.303 0.277) 1.332 8.745 ( -0.000 -0.019 0.072) 0.074 8.784 ( -0.000 2.386 -0.021) 2.386 9.262 ( -0.000 -1.010 0.248) 1.040 ======================= Grid point 153 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 1.887 -1.758 4.055) 4.806 0.814 ( -3.951 13.062 1.546) 13.733 1.071 ( -10.599 16.421 -1.547) 19.605 1.606 ( 3.473 -1.928 -0.331) 3.986 1.689 ( -1.960 -0.643 2.546) 3.276 1.740 ( -3.199 1.074 -2.841) 4.411 1.918 ( -0.553 5.229 0.137) 5.260 2.276 ( 1.970 -2.987 -1.259) 3.793 2.339 ( 2.261 -3.331 0.433) 4.049 2.904 ( 4.734 -9.954 0.004) 11.022 3.088 ( 0.194 -1.101 -0.141) 1.127 3.524 ( 0.002 -0.299 0.019) 0.300 3.798 ( 4.054 -6.972 0.026) 8.066 3.909 ( -1.339 -2.785 -0.006) 3.090 4.000 ( 2.755 0.642 0.035) 2.829 4.500 ( -1.192 -0.009 -0.009) 1.192 4.632 ( -2.603 5.594 -0.058) 6.170 5.364 ( -2.280 2.731 0.019) 3.558 5.460 ( -2.533 6.272 -0.015) 6.764 5.584 ( 0.717 -0.404 0.004) 0.823 6.663 ( 3.180 -6.221 -0.156) 6.989 7.768 ( -1.327 1.341 0.002) 1.887 7.832 ( -0.751 1.387 0.036) 1.578 8.079 ( 0.698 -1.475 0.156) 1.640 8.747 ( -0.293 -0.155 0.024) 0.332 8.818 ( -0.901 3.176 -0.046) 3.302 9.250 ( 0.180 -1.471 0.112) 1.486 ======================= Grid point 154 (67/171) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -4.490 5.710 0.000) 7.264 1.052 ( -9.114 11.531 0.000) 14.698 1.300 ( -4.773 6.076 0.000) 7.727 1.529 ( 3.854 -1.077 -0.000) 4.001 1.720 ( -1.064 -0.885 -0.000) 1.383 1.891 ( -9.492 6.331 0.000) 11.410 1.958 ( 0.279 2.159 0.000) 2.177 2.210 ( 1.639 -0.947 -0.000) 1.892 2.250 ( 3.681 -3.741 -0.000) 5.248 2.692 ( 8.405 -11.354 -0.000) 14.127 3.067 ( 0.594 -1.805 -0.000) 1.900 3.524 ( -0.212 -0.031 -0.000) 0.215 3.641 ( 5.837 -8.987 -0.000) 10.716 3.862 ( 5.637 0.170 0.000) 5.639 3.981 ( -1.438 -1.807 -0.000) 2.309 4.518 ( -0.805 0.390 0.000) 0.895 4.759 ( -5.646 6.485 0.000) 8.598 5.436 ( -2.796 2.914 0.000) 4.038 5.554 ( 1.833 -1.519 -0.000) 2.381 5.584 ( -4.865 6.613 0.000) 8.210 6.531 ( 5.155 -6.574 -0.000) 8.354 7.808 ( -1.825 1.337 0.000) 2.262 7.865 ( -1.393 1.709 0.000) 2.205 8.051 ( 1.067 -1.431 -0.000) 1.785 8.750 ( -0.261 -0.218 -0.000) 0.340 8.869 ( -1.475 3.284 0.000) 3.600 9.230 ( 0.300 -1.784 -0.000) 1.809 ======================= Grid point 160 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 17.149 -3.196 0.854) 17.465 1.235 ( 13.188 -7.059 2.126) 15.108 1.344 ( 1.374 -0.126 1.920) 2.364 1.488 ( -2.090 0.017 -3.115) 3.752 1.715 ( -0.307 -1.263 -0.712) 1.482 1.950 ( 3.062 -0.582 -0.210) 3.124 2.059 ( -7.198 4.738 -0.959) 8.671 2.084 ( -4.654 0.639 0.475) 4.722 2.376 ( 14.363 -4.533 0.506) 15.069 2.430 ( -14.071 4.809 0.679) 14.886 3.041 ( -1.927 -1.020 0.908) 2.362 3.427 ( -13.481 3.200 -0.036) 13.856 3.539 ( 0.934 0.077 -0.025) 0.937 3.741 ( -2.439 5.033 -0.018) 5.593 3.997 ( -0.996 -3.679 0.320) 3.824 4.539 ( 0.759 0.554 -0.037) 0.940 4.928 ( 8.844 -2.598 -0.185) 9.220 5.494 ( -3.394 1.158 0.031) 3.586 5.518 ( 2.874 0.943 -0.262) 3.036 5.721 ( 8.478 -3.615 -0.003) 9.216 6.386 ( -8.629 2.208 -0.418) 8.917 7.858 ( 1.718 0.332 0.022) 1.750 7.900 ( 2.011 -1.125 -0.010) 2.304 8.026 ( -1.347 0.794 0.216) 1.578 8.756 ( -0.080 -0.043 0.055) 0.106 8.915 ( 3.079 -0.686 -0.527) 3.198 9.214 ( -1.323 0.252 0.914) 1.628 ======================= Grid point 161 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 11.709 -0.846 3.165) 12.159 0.957 ( 14.862 -5.139 1.996) 15.852 1.315 ( 4.819 -0.346 -0.335) 4.843 1.510 ( -3.334 0.164 -2.637) 4.254 1.714 ( -1.036 -0.659 -0.010) 1.228 1.834 ( 11.320 -2.069 5.852) 12.910 2.045 ( 7.559 -0.035 -2.685) 8.022 2.203 ( -5.845 1.479 -0.726) 6.073 2.248 ( -4.851 -0.269 -1.843) 5.196 2.721 ( -13.870 3.382 0.186) 14.277 3.069 ( -1.384 -0.313 0.812) 1.635 3.530 ( 0.283 0.111 -0.010) 0.304 3.659 ( -12.101 0.896 0.049) 12.134 3.830 ( -2.363 4.659 0.070) 5.225 3.979 ( -0.563 -2.929 0.373) 3.005 4.532 ( 0.482 0.393 -0.038) 0.623 4.757 ( 8.841 -1.906 -0.084) 9.044 5.464 ( 3.994 0.793 -0.228) 4.078 5.549 ( 1.999 -1.110 0.044) 2.287 5.552 ( 4.015 -1.413 -0.053) 4.257 6.543 ( -8.346 1.602 -0.403) 8.508 7.823 ( 2.555 -0.140 0.028) 2.559 7.860 ( 1.817 -0.490 -0.006) 1.882 8.056 ( -1.374 0.466 0.352) 1.493 8.757 ( -0.054 0.046 0.044) 0.084 8.851 ( 3.321 -0.768 -0.364) 3.428 9.243 ( -1.046 0.308 0.739) 1.317 ======================= Grid point 162 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 15.120 -0.000 1.634) 15.208 0.774 ( 0.877 -0.000 6.828) 6.884 1.118 ( 16.453 -0.000 -2.422) 16.631 1.579 ( -5.780 0.000 -0.281) 5.787 1.723 ( 4.448 -0.000 5.373) 6.975 1.736 ( -1.549 0.000 0.397) 1.599 1.902 ( 6.549 -0.000 -5.390) 8.482 2.278 ( -3.603 0.000 -0.948) 3.725 2.332 ( -4.738 0.000 -0.442) 4.759 2.936 ( -10.180 0.000 -0.162) 10.181 3.088 ( -0.482 0.000 0.543) 0.726 3.529 ( -0.023 0.000 0.009) 0.024 3.836 ( -8.846 0.000 0.001) 8.846 3.890 ( -1.758 0.000 0.076) 1.759 3.975 ( -0.587 0.000 0.364) 0.691 4.530 ( 0.055 -0.000 -0.026) 0.061 4.614 ( 7.152 -0.000 -0.042) 7.153 5.406 ( 3.479 -0.000 -0.202) 3.485 5.411 ( 6.557 -0.000 0.054) 6.558 5.576 ( -0.934 0.000 -0.006) 0.934 6.674 ( -6.707 0.000 -0.273) 6.713 7.780 ( 2.420 -0.000 0.003) 2.420 7.831 ( 1.446 -0.000 0.018) 1.447 8.083 ( -1.333 0.000 0.323) 1.372 8.759 ( -0.052 0.000 0.025) 0.057 8.794 ( 2.758 -0.000 -0.117) 2.760 9.262 ( -0.625 0.000 0.437) 0.762 ======================= Grid point 164 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -0.000 8.904 -0.000) 8.904 0.712 ( -0.000 25.620 -0.000) 25.620 0.894 ( 0.000 -6.397 0.000) 6.397 1.663 ( 0.000 -0.592 0.000) 0.592 1.677 ( 0.000 -2.310 0.000) 2.310 1.718 ( 0.000 -2.263 0.000) 2.263 1.856 ( -0.000 6.454 0.000) 6.454 2.312 ( 0.000 -1.910 0.000) 1.910 2.386 ( 0.000 -2.126 0.000) 2.126 3.027 ( 0.000 -7.072 0.000) 7.072 3.097 ( 0.000 -0.841 0.000) 0.841 3.527 ( 0.000 -0.299 0.000) 0.299 3.895 ( 0.000 -2.759 0.000) 2.759 3.912 ( 0.000 -4.269 0.000) 4.269 4.023 ( -0.000 0.343 0.000) 0.343 4.486 ( -0.000 0.211 0.000) 0.211 4.568 ( -0.000 3.730 0.000) 3.730 5.320 ( -0.000 2.224 0.000) 2.224 5.386 ( -0.000 4.672 0.000) 4.672 5.590 ( -0.000 0.104 0.000) 0.104 6.744 ( 0.000 -4.800 0.000) 4.800 7.745 ( -0.000 1.027 0.000) 1.027 7.815 ( -0.000 0.932 0.000) 0.932 8.099 ( 0.000 -1.259 0.000) 1.259 8.745 ( 0.000 -0.023 0.000) 0.023 8.784 ( -0.000 2.359 0.000) 2.359 9.264 ( 0.000 -1.054 0.000) 1.054 ======================= Grid point 171 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -0.092 -0.436 -0.300) 0.537 1.405 ( 10.585 -0.415 0.631) 10.612 1.467 ( 2.107 -0.522 0.231) 2.183 1.532 ( 9.777 -6.967 1.140) 12.060 1.720 ( -0.262 -1.651 -1.018) 1.957 1.864 ( -8.726 5.553 -0.497) 10.355 1.971 ( 1.760 -0.289 -0.938) 2.015 2.008 ( -3.764 -0.339 0.252) 3.788 2.145 ( -11.273 3.991 0.691) 11.979 2.710 ( 13.295 -3.975 0.769) 13.898 3.030 ( -1.345 -1.377 0.658) 2.035 3.175 ( -10.446 4.337 -0.140) 11.311 3.559 ( 1.371 0.332 0.001) 1.410 3.668 ( -0.976 3.266 -0.063) 3.409 4.012 ( -1.617 -3.496 0.204) 3.857 4.544 ( 0.663 0.772 -0.017) 1.018 5.071 ( 5.450 -0.919 -0.115) 5.528 5.421 ( -3.434 0.516 0.011) 3.473 5.544 ( 1.598 1.452 -0.182) 2.167 5.874 ( 5.443 -2.007 -0.005) 5.802 6.241 ( -5.697 0.635 -0.198) 5.736 7.872 ( 0.598 0.676 -0.033) 0.903 7.943 ( 1.596 -1.373 -0.004) 2.105 7.994 ( -1.393 1.206 0.059) 1.843 8.755 ( -0.116 -0.092 0.040) 0.153 8.959 ( 2.051 0.107 -0.295) 2.075 9.197 ( -1.138 0.032 0.591) 1.283 ======================= Grid point 172 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 16.552 -2.520 0.600) 16.754 1.261 ( 13.278 -7.147 1.505) 15.155 1.372 ( 0.850 -0.074 2.148) 2.311 1.445 ( -0.650 0.012 -3.073) 3.141 1.706 ( -0.936 -1.693 -0.497) 1.997 1.948 ( 1.224 -0.131 -0.032) 1.231 2.048 ( -6.879 4.811 -0.586) 8.415 2.087 ( -5.486 0.707 0.010) 5.532 2.384 ( 17.325 -5.499 0.541) 18.185 2.437 ( -14.914 5.205 0.343) 15.800 3.051 ( -1.720 -0.548 0.557) 1.889 3.427 ( -13.521 3.385 -0.025) 13.938 3.539 ( 0.913 0.020 -0.014) 0.914 3.741 ( -2.476 5.083 -0.011) 5.654 4.001 ( -0.993 -3.559 0.198) 3.700 4.538 ( 0.761 0.542 -0.023) 0.934 4.926 ( 8.811 -2.599 -0.124) 9.187 5.494 ( -3.531 1.089 0.062) 3.695 5.515 ( 2.964 0.857 -0.202) 3.092 5.721 ( 8.483 -3.619 -0.001) 9.222 6.381 ( -8.573 2.173 -0.257) 8.848 7.858 ( 1.681 0.323 0.013) 1.712 7.900 ( 2.003 -1.161 -0.006) 2.316 8.028 ( -1.445 0.849 0.132) 1.682 8.757 ( -0.071 -0.024 0.033) 0.082 8.909 ( 3.062 -0.737 -0.329) 3.166 9.224 ( -1.260 0.433 0.566) 1.448 ======================= Grid point 173 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 9.515 -0.262 1.412) 9.623 0.977 ( 14.783 -5.152 0.774) 15.674 1.308 ( 7.547 -0.881 -0.435) 7.610 1.485 ( -4.833 0.523 -0.898) 4.944 1.713 ( -1.680 -0.923 -0.027) 1.917 1.906 ( 5.754 -0.980 4.010) 7.082 2.003 ( 13.554 -0.851 -2.879) 13.883 2.195 ( -5.401 0.956 -0.309) 5.493 2.231 ( -5.737 0.190 -0.610) 5.772 2.722 ( -13.673 3.248 0.064) 14.054 3.077 ( -1.230 -0.053 0.308) 1.269 3.530 ( 0.263 0.089 -0.003) 0.277 3.659 ( -12.091 0.918 0.018) 12.126 3.831 ( -2.396 4.676 0.027) 5.254 3.983 ( -0.578 -2.825 0.143) 2.887 4.532 ( 0.480 0.388 -0.014) 0.618 4.756 ( 8.796 -1.895 -0.041) 8.998 5.462 ( 3.952 0.678 -0.087) 4.010 5.549 ( 0.152 -0.377 0.072) 0.413 5.551 ( 5.873 -2.094 -0.074) 6.236 6.539 ( -8.344 1.601 -0.152) 8.497 7.823 ( 2.561 -0.149 0.011) 2.565 7.860 ( 1.796 -0.500 -0.002) 1.864 8.060 ( -1.455 0.490 0.129) 1.540 8.758 ( -0.046 0.054 0.017) 0.073 8.847 ( 3.219 -0.770 -0.139) 3.313 9.250 ( -0.950 0.360 0.282) 1.055 ======================= Grid point 174 (75/171) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 14.990 -0.000 0.000) 14.990 0.828 ( -2.162 0.000 0.000) 2.162 1.094 ( 17.171 -0.000 0.000) 17.171 1.577 ( -5.875 0.000 0.000) 5.875 1.739 ( -1.750 0.000 0.000) 1.750 1.783 ( 6.705 -0.000 -0.000) 6.705 1.844 ( 6.048 -0.000 0.000) 6.048 2.271 ( -3.534 0.000 0.000) 3.534 2.329 ( -5.027 0.000 0.000) 5.027 2.935 ( -10.086 0.000 0.000) 10.086 3.091 ( -0.434 0.000 0.000) 0.434 3.529 ( -0.030 0.000 0.000) 0.030 3.836 ( -8.825 0.000 0.000) 8.825 3.891 ( -1.768 0.000 0.000) 1.768 3.977 ( -0.609 0.000 0.000) 0.609 4.530 ( 0.053 -0.000 0.000) 0.053 4.614 ( 7.155 -0.000 0.000) 7.155 5.404 ( 3.472 -0.000 0.000) 3.472 5.411 ( 6.555 -0.000 0.000) 6.555 5.576 ( -0.940 0.000 0.000) 0.940 6.672 ( -6.719 0.000 0.000) 6.719 7.780 ( 2.428 -0.000 0.000) 2.428 7.831 ( 1.436 -0.000 0.000) 1.436 8.086 ( -1.337 0.000 0.000) 1.337 8.759 ( -0.048 0.000 0.000) 0.048 8.793 ( 2.689 -0.000 0.000) 2.689 9.265 ( -0.576 0.000 0.000) 0.576 ======================= Grid point 182 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -2.429 0.244 -0.999) 2.638 1.404 ( -7.720 10.237 0.708) 12.841 1.473 ( -4.437 2.964 -0.329) 5.346 1.606 ( -2.157 3.760 0.886) 4.424 1.706 ( -0.753 -1.817 -0.433) 2.014 1.842 ( 7.189 -6.487 0.748) 9.712 1.982 ( -1.051 -1.380 1.135) 2.074 2.017 ( 0.458 -2.049 -0.685) 2.208 2.132 ( 10.396 -5.721 -0.537) 11.878 2.679 ( -11.182 9.855 -0.386) 14.910 3.035 ( -0.327 -1.705 0.335) 1.768 3.201 ( 9.926 -6.718 0.337) 11.990 3.556 ( -0.651 1.396 -0.018) 1.541 3.674 ( 4.070 0.769 -0.001) 4.142 4.013 ( -2.219 -3.047 0.112) 3.771 4.544 ( 0.242 0.942 0.000) 0.973 5.075 ( -3.259 4.096 0.055) 5.234 5.416 ( 1.819 -2.654 -0.062) 3.218 5.538 ( -0.175 2.045 -0.099) 2.055 5.875 ( -4.125 3.639 -0.069) 5.502 6.247 ( 3.792 -4.832 0.085) 6.143 7.865 ( -0.474 0.865 -0.067) 0.988 7.951 ( -1.759 0.976 -0.027) 2.012 7.984 ( 1.273 -0.684 -0.007) 1.445 8.754 ( -0.173 -0.119 0.017) 0.211 8.971 ( 0.362 1.490 0.064) 1.534 9.188 ( -0.384 -0.470 0.119) 0.619 ======================= Grid point 183 (77/171) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -1.192 -0.362 -0.173) 1.258 1.412 ( 10.591 -0.115 0.256) 10.595 1.470 ( 2.838 -0.413 0.139) 2.871 1.544 ( 10.555 -6.879 0.510) 12.608 1.709 ( -0.817 -2.100 -0.470) 2.302 1.859 ( -8.399 5.490 -0.163) 10.036 1.962 ( 1.878 -0.299 -0.342) 1.932 2.010 ( -3.267 -0.514 0.069) 3.308 2.151 ( -11.748 4.180 0.244) 12.472 2.717 ( 12.854 -3.727 0.296) 13.387 3.036 ( -1.254 -1.075 0.255) 1.671 3.174 ( -10.241 4.421 -0.058) 11.155 3.559 ( 1.364 0.305 0.000) 1.398 3.667 ( -0.980 3.263 -0.024) 3.407 4.014 ( -1.603 -3.412 0.078) 3.770 4.544 ( 0.667 0.761 -0.006) 1.012 5.070 ( 5.517 -0.965 -0.046) 5.601 5.421 ( -3.492 0.504 0.009) 3.528 5.542 ( 1.585 1.376 -0.072) 2.100 5.874 ( 5.407 -2.013 -0.002) 5.770 6.239 ( -5.592 0.553 -0.075) 5.620 7.871 ( 0.556 0.665 -0.013) 0.867 7.943 ( 1.570 -1.392 -0.002) 2.098 7.995 ( -1.419 1.245 0.023) 1.887 8.756 ( -0.112 -0.074 0.015) 0.135 8.956 ( 2.169 -0.000 -0.120) 2.173 9.203 ( -1.197 0.273 0.232) 1.250 ======================= Grid point 184 (78/171) ======================= q-point: (-0.60 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 16.278 -2.245 -0.000) 16.432 1.272 ( 13.415 -7.306 -0.000) 15.276 1.403 ( -3.908 0.457 0.000) 3.934 1.407 ( 4.426 -0.390 -0.000) 4.443 1.702 ( -1.211 -1.876 -0.000) 2.233 1.948 ( 0.566 0.052 0.000) 0.568 2.043 ( -6.756 4.842 0.000) 8.312 2.087 ( -5.695 0.696 0.000) 5.737 2.388 ( 18.441 -5.900 -0.000) 19.362 2.439 ( -15.362 5.424 0.000) 16.292 3.055 ( -1.640 -0.369 -0.000) 1.682 3.427 ( -13.538 3.456 0.000) 13.972 3.539 ( 0.905 -0.002 -0.000) 0.905 3.740 ( -2.490 5.102 0.000) 5.677 4.002 ( -0.992 -3.512 -0.000) 3.650 4.538 ( 0.762 0.537 0.000) 0.932 4.925 ( 8.801 -2.601 -0.000) 9.177 5.495 ( -3.681 1.051 0.000) 3.829 5.514 ( 3.098 0.836 0.000) 3.209 5.721 ( 8.484 -3.621 -0.000) 9.224 6.379 ( -8.553 2.160 0.000) 8.821 7.858 ( 1.666 0.320 0.000) 1.697 7.900 ( 2.000 -1.175 -0.000) 2.320 8.029 ( -1.482 0.870 0.000) 1.718 8.757 ( -0.067 -0.016 -0.000) 0.069 8.907 ( 3.053 -0.755 -0.000) 3.145 9.229 ( -1.234 0.501 0.000) 1.332 ======================= Grid point 193 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -14.298 14.074 0.187) 20.063 1.226 ( -11.381 8.650 0.443) 14.302 1.265 ( -1.743 0.746 -1.747) 2.578 1.629 ( 2.833 0.012 1.009) 3.008 1.724 ( 0.990 -1.172 -0.013) 1.534 1.946 ( -5.127 5.650 0.038) 7.630 2.024 ( 4.080 -5.462 1.277) 6.936 2.049 ( 2.047 -3.403 -1.550) 4.263 2.399 ( -3.091 3.570 1.091) 4.846 2.420 ( 9.294 -6.086 -0.895) 11.145 3.055 ( 0.545 -1.603 0.123) 1.697 3.441 ( 8.603 -8.752 0.076) 12.272 3.532 ( -0.609 0.706 -0.014) 0.932 3.761 ( 6.860 0.747 0.019) 6.901 4.000 ( -2.546 -2.415 0.040) 3.510 4.535 ( -0.298 0.830 0.006) 0.882 4.932 ( -6.773 6.313 0.036) 9.259 5.490 ( 2.845 -2.615 0.060) 3.865 5.499 ( -1.646 2.340 -0.114) 2.864 5.734 ( -6.246 5.665 -0.027) 8.432 6.394 ( 6.127 -6.506 0.120) 8.937 7.840 ( -1.309 1.005 -0.046) 1.651 7.906 ( -1.938 1.629 -0.017) 2.532 8.011 ( 0.978 -0.926 -0.055) 1.348 8.752 ( -0.249 -0.146 0.000) 0.289 8.942 ( -1.262 2.834 0.131) 3.106 9.196 ( 0.470 -0.880 -0.069) 1.000 ======================= Grid point 194 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -2.504 0.141 0.000) 2.508 1.409 ( -7.592 10.351 0.000) 12.836 1.470 ( -5.353 3.489 0.000) 6.390 1.613 ( -1.354 3.449 0.000) 3.705 1.703 ( -0.774 -1.939 -0.000) 2.088 1.848 ( 7.509 -6.609 -0.000) 10.003 1.992 ( -0.827 -1.390 -0.000) 1.618 2.011 ( -0.260 -2.031 -0.000) 2.047 2.128 ( 10.788 -5.543 -0.000) 12.128 2.676 ( -11.260 9.960 0.000) 15.034 3.037 ( -0.297 -1.582 -0.000) 1.609 3.203 ( 9.901 -6.710 -0.000) 11.961 3.556 ( -0.653 1.411 0.000) 1.555 3.674 ( 4.084 0.747 0.000) 4.151 4.014 ( -2.206 -3.000 -0.000) 3.724 4.544 ( 0.244 0.937 0.000) 0.968 5.075 ( -3.230 4.074 0.000) 5.200 5.415 ( 1.801 -2.664 -0.000) 3.216 5.537 ( -0.179 2.013 0.000) 2.021 5.874 ( -4.140 3.630 0.000) 5.506 6.248 ( 3.846 -4.884 -0.000) 6.216 7.864 ( -0.495 0.856 0.000) 0.989 7.951 ( -1.763 0.966 0.000) 2.010 7.984 ( 1.252 -0.656 -0.000) 1.414 8.754 ( -0.173 -0.109 -0.000) 0.205 8.971 ( 0.455 1.424 0.000) 1.495 9.189 ( -0.445 -0.316 -0.000) 0.546 ======================= Grid point 203 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -13.392 14.627 0.000) 19.831 0.912 ( -12.726 12.030 0.000) 17.512 1.281 ( 1.725 -2.300 -0.000) 2.875 1.554 ( -13.301 14.796 0.000) 19.896 1.758 ( 1.394 5.475 0.000) 5.650 1.759 ( 2.594 0.194 0.000) 2.602 2.067 ( -0.921 -1.842 -0.000) 2.060 2.140 ( 1.438 -5.528 -0.000) 5.712 2.394 ( 3.813 -3.472 -0.000) 5.157 2.696 ( 9.548 -9.729 -0.000) 13.632 3.081 ( 0.986 -0.998 -0.000) 1.403 3.521 ( -0.243 -0.039 -0.000) 0.246 3.642 ( 5.810 -8.404 -0.000) 10.217 3.865 ( 5.747 0.294 0.000) 5.755 3.982 ( -1.547 -1.287 -0.000) 2.012 4.520 ( -0.819 0.360 0.000) 0.895 4.762 ( -5.748 6.691 0.000) 8.820 5.434 ( -2.826 2.737 0.000) 3.934 5.552 ( 1.870 -1.607 -0.000) 2.465 5.583 ( -4.886 6.275 0.000) 7.952 6.554 ( 5.312 -6.714 -0.000) 8.562 7.804 ( -1.675 1.193 0.000) 2.057 7.861 ( -1.584 1.607 0.000) 2.256 8.032 ( 0.652 -0.855 -0.000) 1.075 8.749 ( -0.349 -0.178 -0.000) 0.392 8.885 ( -1.794 3.580 0.000) 4.005 9.215 ( 0.715 -0.959 -0.000) 1.196 ======================= Grid point 213 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -0.000 18.634 0.000) 18.634 0.668 ( -0.000 17.441 0.000) 17.441 1.255 ( -0.000 28.137 0.000) 28.137 1.325 ( 0.000 -4.592 -0.000) 4.592 1.818 ( -0.000 2.282 0.000) 2.282 1.868 ( -0.000 1.153 0.000) 1.153 1.990 ( 0.000 -0.581 -0.000) 0.581 2.137 ( 0.000 -4.968 -0.000) 4.968 2.492 ( 0.000 -7.002 -0.000) 7.002 2.841 ( 0.000 -10.904 -0.000) 10.904 3.108 ( 0.000 -1.153 -0.000) 1.153 3.517 ( 0.000 -0.459 -0.000) 0.459 3.805 ( 0.000 -7.318 -0.000) 7.318 3.821 ( 0.000 -4.189 -0.000) 4.189 4.038 ( -0.000 1.507 0.000) 1.507 4.492 ( -0.000 0.224 0.000) 0.224 4.675 ( -0.000 7.214 0.000) 7.214 5.371 ( -0.000 3.312 0.000) 3.312 5.508 ( -0.000 7.347 0.000) 7.347 5.582 ( 0.000 -0.869 -0.000) 0.869 6.646 ( 0.000 -7.735 -0.000) 7.735 7.771 ( -0.000 1.583 0.000) 1.583 7.833 ( -0.000 1.685 0.000) 1.685 8.043 ( 0.000 -0.777 -0.000) 0.777 8.740 ( -0.000 0.014 0.000) 0.014 8.853 ( -0.000 4.244 0.000) 4.244 9.228 ( 0.000 -1.196 -0.000) 1.196 ======================= Grid point 214 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -6.680 19.294 0.874) 20.436 0.889 ( -6.156 15.593 1.124) 16.802 1.283 ( 0.895 -2.581 0.835) 2.856 1.550 ( -6.103 16.376 0.245) 17.478 1.814 ( 4.331 0.194 -1.154) 4.486 1.846 ( 1.266 7.037 0.839) 7.199 2.005 ( -2.918 -2.010 -3.188) 4.766 2.103 ( -0.236 -5.596 3.205) 6.453 2.400 ( 2.339 -5.184 -1.211) 5.815 2.697 ( 3.677 -12.454 -0.201) 12.987 3.086 ( 1.110 -1.328 -0.171) 1.739 3.515 ( -0.296 -0.271 0.032) 0.402 3.655 ( 5.575 -8.371 -0.109) 10.058 3.839 ( -4.109 -4.867 -0.080) 6.370 4.020 ( 3.854 1.473 0.025) 4.126 4.505 ( -1.181 0.300 -0.006) 1.219 4.769 ( -2.371 8.313 0.000) 8.645 5.422 ( -2.125 3.251 0.019) 3.884 5.561 ( 1.142 -1.882 0.000) 2.201 5.598 ( -1.815 7.933 0.056) 8.138 6.545 ( 2.575 -8.366 -0.174) 8.755 7.796 ( -1.004 1.588 0.016) 1.879 7.858 ( -0.810 1.941 0.066) 2.104 8.034 ( 0.384 -0.752 0.133) 0.855 8.742 ( -0.249 -0.060 0.020) 0.257 8.902 ( -0.805 4.414 -0.111) 4.488 9.212 ( 0.354 -1.460 0.008) 1.502 ======================= Grid point 215 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -9.887 17.648 -0.009) 20.229 1.157 ( -8.526 12.239 1.063) 14.954 1.268 ( -0.137 -0.089 1.791) 1.798 1.654 ( 1.206 0.714 -1.609) 2.134 1.744 ( 2.624 -0.628 -0.424) 2.731 1.937 ( -1.299 1.457 -1.068) 2.225 2.003 ( -0.493 -0.324 -1.018) 1.177 2.060 ( 2.036 -5.193 2.543) 6.130 2.379 ( -3.253 7.029 -0.864) 7.793 2.487 ( 7.096 -11.779 -0.431) 13.758 3.047 ( 1.296 -2.056 -0.295) 2.449 3.468 ( 5.795 -9.070 -0.113) 10.764 3.530 ( -0.445 0.358 -0.011) 0.571 3.843 ( -0.356 -3.065 -0.133) 3.088 3.957 ( 3.376 -0.545 -0.013) 3.420 4.531 ( -1.230 0.707 -0.006) 1.419 4.907 ( -4.571 8.218 -0.049) 9.404 5.492 ( -2.370 2.883 0.009) 3.732 5.507 ( 2.337 -3.086 0.090) 3.872 5.716 ( -3.476 7.451 0.092) 8.223 6.407 ( 4.214 -8.138 -0.237) 9.168 7.831 ( -1.361 1.460 0.085) 1.997 7.895 ( -1.359 1.705 0.084) 2.182 8.018 ( 0.777 -0.645 0.107) 1.015 8.746 ( -0.283 -0.126 0.008) 0.310 8.956 ( -0.883 3.951 -0.285) 4.059 9.191 ( 0.380 -1.695 -0.029) 1.737 ======================= Grid point 216 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -2.188 1.294 1.829) 3.131 1.372 ( -9.153 14.975 -1.220) 17.593 1.419 ( -7.569 7.149 1.611) 10.535 1.610 ( 0.885 0.918 -2.391) 2.710 1.703 ( 1.744 -1.307 0.727) 2.297 1.872 ( 4.108 -5.882 -2.105) 7.477 1.949 ( 1.224 -3.389 -0.838) 3.699 2.002 ( 0.906 -4.401 1.544) 4.751 2.233 ( 9.467 -9.752 -0.704) 13.609 2.622 ( -9.443 13.808 0.420) 16.733 3.006 ( 0.394 -2.597 -0.571) 2.688 3.271 ( 7.532 -8.589 -0.249) 11.427 3.556 ( -1.224 1.757 -0.020) 2.142 3.776 ( 6.105 0.681 -0.030) 6.143 3.927 ( -2.428 -4.644 -0.184) 5.244 4.554 ( -0.457 1.027 0.005) 1.124 5.061 ( -4.660 7.069 -0.081) 8.467 5.423 ( 2.989 -4.266 0.096) 5.210 5.553 ( -1.284 2.687 0.158) 2.982 5.849 ( -4.312 6.209 0.138) 7.560 6.257 ( 4.462 -7.306 -0.158) 8.562 7.865 ( -0.964 1.412 0.149) 1.716 7.931 ( -1.488 0.650 0.073) 1.626 7.999 ( 1.053 -0.222 0.018) 1.076 8.749 ( -0.247 -0.147 -0.027) 0.289 8.996 ( 0.111 2.945 -0.280) 2.960 9.171 ( -0.228 -1.673 -0.242) 1.706 ======================= Grid point 217 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -1.487 0.306 1.979) 2.494 1.488 ( 1.389 0.361 -1.049) 1.778 1.563 ( 4.238 6.799 -1.393) 8.132 1.598 ( 5.721 -3.750 -1.841) 7.084 1.707 ( -2.302 0.265 1.815) 2.943 1.788 ( -4.157 2.655 -0.133) 4.934 1.929 ( -3.586 -1.956 -1.111) 4.233 1.986 ( -1.858 -1.943 0.580) 2.750 2.040 ( 1.149 -4.381 -0.183) 4.533 2.839 ( 1.182 5.535 -0.111) 5.661 2.983 ( -1.094 -2.175 -0.949) 2.613 3.096 ( 0.765 -3.206 -0.404) 3.321 3.587 ( 0.507 1.564 -0.034) 1.644 3.708 ( 2.571 2.947 0.076) 3.912 3.925 ( -3.185 -5.487 -0.285) 6.351 4.564 ( 0.426 0.925 0.026) 1.019 5.148 ( 2.284 3.366 0.027) 4.068 5.366 ( -1.912 -2.538 0.092) 3.179 5.584 ( 0.579 2.085 0.279) 2.182 5.936 ( 1.734 2.474 0.097) 3.022 6.161 ( -2.032 -3.744 0.107) 4.261 7.888 ( 0.038 1.370 0.127) 1.377 7.944 ( 0.009 -1.292 0.086) 1.295 7.991 ( -0.117 0.923 -0.083) 0.934 8.751 ( -0.203 -0.129 -0.062) 0.249 9.000 ( 1.841 1.385 0.169) 2.310 9.167 ( -1.301 -0.975 -0.792) 1.808 ======================= Grid point 218 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 5.547 -0.485 -0.292) 5.576 1.371 ( 11.625 -2.830 -2.018) 12.134 1.397 ( 11.815 -0.833 -1.272) 11.912 1.480 ( -0.534 -0.085 0.742) 0.918 1.715 ( 0.653 -0.736 1.820) 2.069 1.958 ( -8.157 2.742 0.588) 8.626 1.974 ( -1.597 -0.180 0.594) 1.713 2.001 ( -4.921 -0.669 0.578) 5.000 2.202 ( -15.519 2.491 -1.075) 15.754 2.629 ( 18.214 -2.128 -1.266) 18.382 2.984 ( -2.208 -1.313 -1.417) 2.933 3.239 ( -12.069 1.755 -0.108) 12.197 3.565 ( 2.047 0.205 0.080) 2.059 3.754 ( -1.936 4.751 0.039) 5.130 3.921 ( -2.695 -4.740 -0.378) 5.466 4.559 ( 0.924 0.502 0.046) 1.052 5.057 ( 8.395 -0.520 0.202) 8.414 5.430 ( -5.087 0.305 0.018) 5.096 5.578 ( 2.304 1.185 0.364) 2.616 5.836 ( 8.371 -1.396 0.018) 8.487 6.257 ( -8.676 0.421 0.372) 8.694 7.890 ( 1.309 0.989 0.032) 1.641 7.918 ( 1.358 -1.156 0.076) 1.785 8.010 ( -1.127 0.472 -0.149) 1.231 8.753 ( -0.171 -0.073 -0.079) 0.201 8.968 ( 3.062 0.193 0.557) 3.118 9.181 ( -1.767 -0.243 -1.158) 2.126 ======================= Grid point 219 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 18.314 -0.000 -1.321) 18.362 1.125 ( 14.098 -0.000 -2.155) 14.262 1.323 ( 1.216 -0.000 -1.443) 1.887 1.530 ( -3.414 0.000 2.655) 4.324 1.713 ( 0.317 -0.000 0.932) 0.984 1.943 ( 7.778 -0.000 0.130) 7.779 2.075 ( -3.458 0.000 -1.481) 3.762 2.124 ( -7.806 0.000 0.957) 7.865 2.326 ( 11.951 -0.000 0.585) 11.965 2.478 ( -16.472 0.000 -0.607) 16.483 3.007 ( -2.530 0.000 -1.413) 2.898 3.453 ( -13.001 0.000 -0.124) 13.001 3.541 ( 1.029 -0.000 0.079) 1.032 3.819 ( -2.309 0.000 0.004) 2.309 3.928 ( -1.846 0.000 -0.467) 1.904 4.546 ( 0.862 -0.000 0.050) 0.863 4.904 ( 9.625 -0.000 0.155) 9.627 5.505 ( -3.689 0.000 0.026) 3.689 5.538 ( 3.473 -0.000 0.373) 3.493 5.681 ( 9.220 -0.000 -0.021) 9.220 6.414 ( -9.297 0.000 0.450) 9.308 7.863 ( 2.330 -0.000 -0.030) 2.330 7.888 ( 1.721 -0.000 0.059) 1.722 8.030 ( -1.191 0.000 -0.272) 1.222 8.754 ( -0.146 0.000 -0.070) 0.162 8.917 ( 3.647 -0.000 0.573) 3.691 9.201 ( -1.673 0.000 -1.076) 1.989 ======================= Grid point 224 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -0.000 16.310 4.688) 16.970 0.690 ( -0.000 16.854 3.125) 17.142 1.241 ( -0.000 23.000 -1.299) 23.036 1.369 ( -0.000 -1.077 5.362) 5.469 1.812 ( 0.000 2.515 -0.872) 2.661 1.876 ( -0.000 1.139 1.183) 1.642 1.940 ( 0.000 -1.067 -5.955) 6.050 2.176 ( -0.000 -4.435 4.283) 6.166 2.467 ( 0.000 -6.214 -3.387) 7.077 2.841 ( 0.000 -11.112 -0.074) 11.112 3.105 ( 0.000 -1.158 -0.413) 1.229 3.517 ( -0.000 -0.444 0.057) 0.448 3.803 ( 0.000 -7.447 -0.323) 7.454 3.821 ( 0.000 -4.200 0.058) 4.200 4.039 ( -0.000 1.510 0.054) 1.511 4.492 ( -0.000 0.228 -0.018) 0.229 4.675 ( -0.000 7.149 0.058) 7.150 5.371 ( -0.000 3.313 0.056) 3.314 5.508 ( -0.000 7.371 -0.024) 7.371 5.583 ( 0.000 -0.841 0.069) 0.844 6.643 ( 0.000 -7.722 -0.367) 7.731 7.771 ( -0.000 1.588 -0.001) 1.588 7.834 ( -0.000 1.702 0.127) 1.707 8.047 ( -0.000 -0.937 0.439) 1.035 8.741 ( -0.000 0.008 0.057) 0.058 8.852 ( -0.000 4.203 -0.130) 4.205 9.229 ( 0.000 -1.266 0.081) 1.268 ======================= Grid point 225 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -5.628 17.522 2.450) 18.566 0.919 ( -5.667 14.990 3.051) 16.313 1.301 ( 0.631 -1.774 1.505) 2.410 1.558 ( -5.161 13.276 0.947) 14.275 1.785 ( 4.416 1.325 -3.000) 5.500 1.864 ( 0.674 6.704 1.538) 6.911 1.956 ( -4.031 -2.201 -3.190) 5.592 2.155 ( 0.830 -5.183 3.791) 6.474 2.368 ( 1.969 -4.186 -3.162) 5.603 2.692 ( 3.681 -12.844 -0.549) 13.372 3.081 ( 0.998 -1.375 -0.459) 1.760 3.516 ( -0.269 -0.233 0.086) 0.366 3.652 ( 5.418 -8.585 -0.285) 10.156 3.837 ( -4.080 -4.888 -0.193) 6.370 4.020 ( 3.880 1.490 0.069) 4.157 4.505 ( -1.183 0.306 -0.015) 1.222 4.769 ( -2.358 8.260 -0.032) 8.590 5.422 ( -2.100 3.268 0.054) 3.885 5.561 ( 1.093 -1.740 0.021) 2.055 5.599 ( -1.769 7.856 0.122) 8.054 6.541 ( 2.550 -8.314 -0.445) 8.708 7.796 ( -1.039 1.601 0.040) 1.909 7.860 ( -0.770 1.969 0.168) 2.121 8.037 ( 0.429 -0.915 0.333) 1.064 8.743 ( -0.232 -0.069 0.051) 0.247 8.899 ( -0.775 4.330 -0.288) 4.408 9.213 ( 0.303 -1.608 0.023) 1.637 ======================= Grid point 226 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -9.060 17.137 0.064) 19.385 1.179 ( -7.371 11.349 2.037) 13.685 1.301 ( -0.846 0.240 2.775) 2.910 1.621 ( 2.002 0.227 -2.962) 3.582 1.735 ( 1.210 0.473 -0.773) 1.512 1.923 ( -0.564 -2.947 -0.828) 3.112 1.990 ( -0.439 1.404 -0.914) 1.731 2.096 ( 2.632 -5.235 2.485) 6.365 2.364 ( -4.015 8.524 -1.121) 9.488 2.478 ( 6.452 -11.960 -0.868) 13.617 3.041 ( 1.310 -2.116 -0.485) 2.536 3.466 ( 5.805 -9.235 -0.193) 10.910 3.530 ( -0.520 0.403 -0.006) 0.658 3.841 ( -0.515 -3.165 -0.212) 3.214 3.956 ( 3.580 -0.440 -0.013) 3.607 4.531 ( -1.230 0.718 -0.009) 1.424 4.906 ( -4.546 8.221 -0.093) 9.395 5.493 ( -2.210 2.727 0.065) 3.510 5.508 ( 2.128 -2.890 0.096) 3.591 5.718 ( -3.458 7.501 0.145) 8.261 6.403 ( 4.153 -8.031 -0.380) 9.049 7.833 ( -1.409 1.475 0.134) 2.044 7.896 ( -1.293 1.734 0.134) 2.167 8.020 ( 0.831 -0.772 0.171) 1.147 8.746 ( -0.257 -0.140 0.010) 0.293 8.951 ( -0.884 3.885 -0.463) 4.012 9.190 ( 0.320 -1.923 -0.042) 1.950 ======================= Grid point 227 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -2.599 2.683 2.583) 4.541 1.353 ( -8.563 14.032 -1.350) 16.494 1.446 ( -6.071 5.466 2.076) 8.428 1.571 ( -0.188 1.799 -3.100) 3.589 1.714 ( 1.366 -1.007 0.699) 1.835 1.841 ( 3.516 -5.981 -2.318) 7.315 1.937 ( 1.483 -3.220 -0.893) 3.656 2.022 ( 1.636 -4.705 1.258) 5.138 2.221 ( 8.561 -10.499 -0.932) 13.579 2.629 ( -9.614 13.634 0.539) 16.691 2.997 ( 0.574 -2.692 -0.695) 2.839 3.267 ( 7.722 -8.579 -0.317) 11.547 3.556 ( -1.228 1.690 -0.026) 2.089 3.775 ( 5.983 0.674 -0.042) 6.021 3.924 ( -2.302 -4.593 -0.219) 5.142 4.554 ( -0.462 1.045 0.006) 1.142 5.059 ( -4.652 7.119 -0.104) 8.505 5.425 ( 2.941 -4.272 0.122) 5.188 5.556 ( -1.336 2.741 0.190) 3.055 5.851 ( -4.300 6.245 0.169) 7.585 6.255 ( 4.364 -7.164 -0.194) 8.391 7.868 ( -0.952 1.424 0.184) 1.723 7.932 ( -1.457 0.682 0.090) 1.611 7.999 ( 1.106 -0.313 0.023) 1.150 8.749 ( -0.226 -0.164 -0.036) 0.282 8.991 ( -0.115 3.046 -0.387) 3.073 9.167 ( -0.112 -2.044 -0.258) 2.063 ======================= Grid point 228 (93/171) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.114 0.265 2.157) 2.176 1.473 ( 0.871 0.091 -1.097) 1.403 1.542 ( 3.747 6.649 -1.451) 7.768 1.574 ( 6.530 -4.344 -1.525) 7.990 1.731 ( -2.611 0.843 1.616) 3.185 1.786 ( -5.782 3.254 -0.153) 6.637 1.913 ( -3.854 -1.421 -1.120) 4.258 1.993 ( -1.682 -2.183 0.509) 2.803 2.036 ( 0.896 -5.074 -0.334) 5.163 2.838 ( 2.195 4.858 0.011) 5.331 2.969 ( -0.861 -2.365 -1.045) 2.726 3.090 ( 0.336 -2.964 -0.401) 3.010 3.586 ( 0.428 1.540 -0.037) 1.599 3.709 ( 2.546 2.961 0.075) 3.906 3.921 ( -3.138 -5.497 -0.281) 6.336 4.564 ( 0.419 0.944 0.026) 1.033 5.148 ( 2.130 3.469 0.021) 4.071 5.367 ( -1.830 -2.593 0.099) 3.175 5.588 ( 0.547 2.158 0.274) 2.243 5.937 ( 1.851 2.422 0.093) 3.050 6.163 ( -2.258 -3.560 0.111) 4.217 7.890 ( 0.110 1.370 0.125) 1.380 7.945 ( 0.043 -1.275 0.089) 1.279 7.990 ( -0.095 0.888 -0.082) 0.896 8.750 ( -0.195 -0.146 -0.064) 0.252 9.002 ( 1.501 1.662 0.110) 2.242 9.156 ( -1.095 -1.437 -0.737) 1.951 ======================= Grid point 229 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 7.368 -0.704 -0.484) 7.417 1.346 ( 11.838 -3.668 -1.488) 12.482 1.381 ( 11.406 -0.353 -1.038) 11.459 1.492 ( -2.455 0.042 0.959) 2.636 1.737 ( 1.216 -0.370 1.255) 1.786 1.966 ( -7.782 2.009 0.572) 8.058 1.978 ( -4.481 0.229 0.093) 4.488 2.012 ( -2.965 -0.386 0.814) 3.099 2.187 ( -15.724 2.615 -0.992) 15.971 2.613 ( 18.493 -2.234 -0.991) 18.654 2.965 ( -2.165 -1.579 -1.169) 2.924 3.238 ( -12.099 1.628 -0.092) 12.208 3.566 ( 2.014 0.245 0.064) 2.030 3.754 ( -1.903 4.746 0.031) 5.113 3.916 ( -2.648 -4.806 -0.304) 5.496 4.560 ( 0.919 0.513 0.037) 1.053 5.060 ( 8.361 -0.499 0.155) 8.377 5.430 ( -5.077 0.307 0.023) 5.086 5.583 ( 2.299 1.252 0.290) 2.634 5.836 ( 8.391 -1.395 0.014) 8.506 6.262 ( -8.765 0.461 0.301) 8.782 7.890 ( 1.370 0.949 0.023) 1.667 7.919 ( 1.390 -1.089 0.063) 1.767 8.008 ( -1.067 0.439 -0.119) 1.160 8.752 ( -0.174 -0.082 -0.064) 0.203 8.976 ( 2.956 0.300 0.442) 3.004 9.166 ( -1.769 -0.435 -0.934) 2.047 ======================= Grid point 230 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 18.796 -0.000 -0.782) 18.812 1.101 ( 14.201 -0.000 -1.285) 14.259 1.307 ( 1.228 -0.000 -0.815) 1.473 1.560 ( -4.255 0.000 1.554) 4.530 1.723 ( 0.872 -0.000 0.505) 1.008 1.947 ( 11.843 -0.000 0.366) 11.848 2.053 ( -3.220 0.000 -1.454) 3.533 2.135 ( -8.037 0.000 0.635) 8.062 2.335 ( 8.551 -0.000 0.584) 8.571 2.471 ( -16.809 0.000 -0.405) 16.814 2.991 ( -2.655 0.000 -0.895) 2.802 3.452 ( -13.028 0.000 -0.078) 13.028 3.542 ( 1.058 -0.000 0.051) 1.059 3.820 ( -2.267 0.000 0.005) 2.267 3.923 ( -1.807 0.000 -0.289) 1.829 4.547 ( 0.862 -0.000 0.031) 0.862 4.906 ( 9.709 -0.000 0.082) 9.710 5.506 ( -3.695 0.000 0.021) 3.695 5.543 ( 3.479 -0.000 0.229) 3.487 5.680 ( 9.253 -0.000 -0.014) 9.253 6.419 ( -9.346 0.000 0.281) 9.351 7.863 ( 2.337 -0.000 -0.018) 2.337 7.888 ( 1.756 -0.000 0.036) 1.756 8.027 ( -1.069 0.000 -0.171) 1.083 8.754 ( -0.154 0.000 -0.044) 0.160 8.924 ( 3.697 -0.000 0.354) 3.714 9.188 ( -1.773 0.000 -0.667) 1.895 ======================= Grid point 231 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 18.948 -0.000 0.000) 18.948 1.092 ( 14.253 -0.000 0.000) 14.253 1.302 ( 1.229 -0.000 0.000) 1.229 1.571 ( -4.528 0.000 -0.000) 4.528 1.727 ( 1.068 -0.000 0.000) 1.068 1.950 ( 14.158 -0.000 0.000) 14.158 2.042 ( -3.984 0.000 -0.000) 3.984 2.140 ( -8.112 0.000 -0.000) 8.112 2.340 ( 7.336 -0.000 0.000) 7.336 2.468 ( -16.947 0.000 -0.000) 16.947 2.984 ( -2.701 0.000 -0.000) 2.701 3.451 ( -13.038 0.000 -0.000) 13.038 3.543 ( 1.069 -0.000 0.000) 1.069 3.820 ( -2.251 0.000 -0.000) 2.251 3.921 ( -1.792 0.000 -0.000) 1.792 4.547 ( 0.862 -0.000 0.000) 0.862 4.907 ( 9.746 -0.000 0.000) 9.746 5.506 ( -3.697 0.000 -0.000) 3.697 5.544 ( 3.481 -0.000 0.000) 3.481 5.680 ( 9.266 -0.000 0.000) 9.266 6.421 ( -9.367 0.000 -0.000) 9.367 7.863 ( 2.340 -0.000 0.000) 2.340 7.889 ( 1.769 -0.000 0.000) 1.769 8.026 ( -1.020 0.000 -0.000) 1.020 8.753 ( -0.157 0.000 -0.000) 0.157 8.926 ( 3.716 -0.000 0.000) 3.716 9.183 ( -1.812 0.000 -0.000) 1.812 ======================= Grid point 235 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -0.000 11.414 7.279) 13.538 0.749 ( -0.000 15.492 5.177) 16.334 1.223 ( -0.000 19.761 -1.326) 19.806 1.455 ( -0.000 -0.872 6.530) 6.588 1.795 ( 0.000 2.906 -1.520) 3.279 1.847 ( 0.000 -1.148 -7.024) 7.117 1.898 ( -0.000 1.461 1.841) 2.350 2.235 ( -0.000 -4.237 4.016) 5.838 2.406 ( 0.000 -4.709 -5.112) 6.951 2.839 ( 0.000 -11.634 -0.174) 11.636 3.097 ( 0.000 -1.172 -0.669) 1.349 3.518 ( -0.000 -0.406 0.092) 0.416 3.797 ( 0.000 -7.807 -0.462) 7.821 3.822 ( 0.000 -4.229 0.093) 4.230 4.040 ( -0.000 1.516 0.090) 1.519 4.491 ( 0.000 0.239 -0.029) 0.241 4.676 ( -0.000 7.060 -0.026) 7.060 5.372 ( -0.000 3.316 0.090) 3.318 5.508 ( -0.000 7.454 -0.002) 7.454 5.584 ( 0.000 -0.793 0.072) 0.796 6.636 ( 0.000 -7.711 -0.560) 7.731 7.771 ( -0.000 1.603 -0.001) 1.603 7.836 ( -0.000 1.751 0.189) 1.761 8.054 ( -0.000 -1.244 0.606) 1.384 8.742 ( -0.000 -0.009 0.093) 0.093 8.850 ( -0.000 4.089 -0.203) 4.094 9.230 ( 0.000 -1.451 0.136) 1.457 ======================= Grid point 236 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -4.013 14.499 3.414) 15.426 0.970 ( -4.851 14.103 4.095) 15.466 1.317 ( -0.273 0.837 0.510) 1.018 1.576 ( -2.836 7.418 1.491) 8.081 1.735 ( 3.135 1.310 -3.835) 5.124 1.876 ( -2.563 8.042 -0.400) 8.450 1.933 ( -1.809 -1.802 0.320) 2.573 2.203 ( 1.716 -5.111 2.950) 6.146 2.317 ( 1.363 -2.721 -3.978) 5.008 2.683 ( 3.695 -13.487 -0.727) 14.003 3.074 ( 0.831 -1.436 -0.586) 1.760 3.517 ( -0.229 -0.174 0.108) 0.307 3.647 ( 5.165 -8.934 -0.351) 10.325 3.834 ( -4.013 -4.924 -0.209) 6.355 4.021 ( 3.923 1.518 0.089) 4.207 4.505 ( -1.186 0.315 -0.018) 1.227 4.768 ( -2.351 8.222 -0.095) 8.552 5.423 ( -2.069 3.293 0.074) 3.889 5.561 ( 1.069 -1.661 0.061) 1.977 5.601 ( -1.746 7.879 0.105) 8.070 6.534 ( 2.514 -8.244 -0.534) 8.636 7.797 ( -1.092 1.622 0.046) 1.956 7.862 ( -0.713 2.017 0.198) 2.149 8.042 ( 0.490 -1.141 0.385) 1.300 8.744 ( -0.202 -0.085 0.062) 0.228 8.895 ( -0.726 4.190 -0.351) 4.267 9.213 ( 0.221 -1.850 0.030) 1.863 ======================= Grid point 237 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -7.916 16.093 0.124) 17.935 1.212 ( -6.352 10.498 2.675) 12.558 1.340 ( -1.682 1.201 2.637) 3.351 1.575 ( 2.658 -0.181 -3.519) 4.414 1.723 ( -0.244 0.753 -0.915) 1.210 1.915 ( 0.230 -5.081 -0.324) 5.096 1.978 ( 0.239 0.884 -0.839) 1.242 2.126 ( 3.197 -5.413 1.789) 6.536 2.351 ( -5.369 10.697 -0.675) 11.987 2.464 ( 5.975 -12.563 -1.128) 13.957 3.034 ( 1.319 -2.169 -0.493) 2.586 3.463 ( 5.782 -9.425 -0.204) 11.059 3.530 ( -0.577 0.442 0.008) 0.727 3.838 ( -0.689 -3.283 -0.207) 3.361 3.956 ( 3.822 -0.313 -0.005) 3.834 4.531 ( -1.231 0.732 -0.008) 1.432 4.904 ( -4.524 8.243 -0.109) 9.403 5.494 ( -2.235 2.760 0.119) 3.553 5.509 ( 2.095 -2.886 0.043) 3.566 5.720 ( -3.439 7.567 0.140) 8.313 6.397 ( 4.079 -7.904 -0.376) 8.903 7.834 ( -1.469 1.495 0.131) 2.100 7.898 ( -1.213 1.770 0.131) 2.150 8.023 ( 0.896 -0.922 0.169) 1.297 8.746 ( -0.224 -0.155 0.008) 0.272 8.944 ( -0.877 3.797 -0.465) 3.925 9.190 ( 0.239 -2.200 -0.037) 2.213 ======================= Grid point 238 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -7.655 11.672 0.373) 13.964 1.348 ( -3.319 5.275 1.681) 6.455 1.470 ( -2.318 2.396 0.767) 3.420 1.531 ( -3.452 4.328 -2.273) 5.984 1.721 ( 0.401 -0.409 0.281) 0.638 1.812 ( 3.865 -6.670 -1.747) 7.905 1.926 ( 1.494 -2.943 -0.704) 3.375 2.037 ( 2.136 -4.681 0.794) 5.206 2.209 ( 7.710 -11.463 -0.820) 13.839 2.636 ( -9.838 13.459 0.451) 16.677 2.988 ( 0.773 -2.761 -0.553) 2.920 3.263 ( 7.923 -8.579 -0.264) 11.681 3.556 ( -1.229 1.619 -0.021) 2.033 3.775 ( 5.855 0.661 -0.037) 5.893 3.921 ( -2.166 -4.534 -0.171) 5.028 4.554 ( -0.467 1.062 0.005) 1.160 5.058 ( -4.645 7.174 -0.087) 8.547 5.426 ( 2.890 -4.289 0.101) 5.172 5.558 ( -1.388 2.800 0.149) 3.129 5.853 ( -4.289 6.282 0.135) 7.608 6.252 ( 4.266 -7.023 -0.156) 8.219 7.870 ( -0.940 1.437 0.149) 1.724 7.934 ( -1.426 0.715 0.072) 1.597 7.999 ( 1.160 -0.405 0.020) 1.229 8.748 ( -0.205 -0.181 -0.031) 0.275 8.986 ( -0.310 3.119 -0.345) 3.154 9.164 ( -0.026 -2.388 -0.176) 2.395 ======================= Grid point 239 (101/171) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 2.063 -0.098 1.546) 2.580 1.459 ( -0.930 0.398 -0.863) 1.330 1.525 ( 3.265 6.645 -0.906) 7.459 1.558 ( 7.520 -5.045 -0.815) 9.092 1.748 ( -2.153 1.241 0.795) 2.609 1.785 ( -7.957 3.760 0.064) 8.801 1.900 ( -3.727 -1.140 -0.706) 3.961 1.999 ( -1.310 -2.178 0.327) 2.563 2.031 ( 0.306 -5.754 -0.338) 5.772 2.839 ( 3.079 4.426 0.098) 5.393 2.956 ( -0.663 -2.626 -0.723) 2.803 3.085 ( -0.065 -2.761 -0.245) 2.773 3.586 ( 0.363 1.520 -0.024) 1.563 3.710 ( 2.525 2.970 0.045) 3.899 3.917 ( -3.098 -5.503 -0.172) 6.318 4.564 ( 0.413 0.958 0.016) 1.044 5.149 ( 2.010 3.551 0.010) 4.080 5.368 ( -1.769 -2.639 0.065) 3.178 5.591 ( 0.523 2.219 0.167) 2.286 5.938 ( 1.945 2.381 0.056) 3.074 6.164 ( -2.440 -3.412 0.070) 4.195 7.891 ( 0.169 1.369 0.077) 1.381 7.946 ( 0.071 -1.260 0.056) 1.264 7.989 ( -0.080 0.859 -0.051) 0.864 8.750 ( -0.189 -0.159 -0.040) 0.250 9.003 ( 1.208 1.905 0.031) 2.256 9.148 ( -0.908 -1.831 -0.421) 2.087 ======================= Grid point 240 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 8.117 -0.864 -0.224) 8.166 1.332 ( 12.082 -4.086 -0.549) 12.766 1.371 ( 11.147 -0.116 -0.401) 11.155 1.503 ( -3.330 0.118 0.442) 3.361 1.749 ( 1.528 -0.151 0.437) 1.596 1.972 ( -5.449 0.058 0.243) 5.455 1.978 ( -8.072 2.131 -0.039) 8.349 2.021 ( -1.987 -0.440 0.385) 2.071 2.177 ( -15.895 2.760 -0.422) 16.139 2.603 ( 18.653 -2.296 -0.369) 18.798 2.953 ( -2.150 -1.754 -0.453) 2.812 3.237 ( -12.117 1.553 -0.036) 12.216 3.567 ( 1.993 0.270 0.024) 2.011 3.755 ( -1.882 4.743 0.011) 5.103 3.913 ( -2.619 -4.847 -0.116) 5.511 4.560 ( 0.916 0.520 0.014) 1.054 5.061 ( 8.343 -0.486 0.057) 8.357 5.430 ( -5.072 0.306 0.010) 5.081 5.586 ( 2.297 1.296 0.110) 2.640 5.837 ( 8.403 -1.394 0.005) 8.518 6.265 ( -8.821 0.485 0.115) 8.835 7.890 ( 1.407 0.925 0.008) 1.684 7.920 ( 1.410 -1.047 0.024) 1.757 8.007 ( -1.030 0.418 -0.045) 1.112 8.751 ( -0.176 -0.088 -0.024) 0.198 8.980 ( 2.886 0.379 0.166) 2.915 9.157 ( -1.765 -0.567 -0.355) 1.887 ======================= Grid point 246 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -0.000 6.496 7.547) 9.958 0.826 ( -0.000 14.096 5.522) 15.139 1.201 ( -0.000 17.745 -1.926) 17.849 1.542 ( -0.000 -0.900 5.754) 5.824 1.752 ( 0.000 -1.020 -6.407) 6.487 1.770 ( 0.000 3.334 -1.984) 3.879 1.925 ( -0.000 2.285 2.006) 3.041 2.284 ( -0.000 -4.252 2.869) 5.129 2.334 ( 0.000 -3.732 -4.918) 6.174 2.836 ( 0.000 -12.265 -0.225) 12.267 3.087 ( 0.000 -1.189 -0.669) 1.365 3.519 ( -0.000 -0.358 0.092) 0.370 3.791 ( 0.000 -8.273 -0.413) 8.283 3.824 ( 0.000 -4.264 0.093) 4.265 4.041 ( -0.000 1.527 0.093) 1.530 4.491 ( -0.000 0.252 -0.029) 0.254 4.675 ( -0.000 7.038 -0.127) 7.039 5.373 ( -0.000 3.321 0.089) 3.322 5.508 ( -0.000 7.595 0.036) 7.595 5.585 ( 0.000 -0.780 0.033) 0.781 6.629 ( 0.000 -7.721 -0.530) 7.740 7.771 ( -0.000 1.620 -0.001) 1.620 7.839 ( -0.000 1.813 0.175) 1.821 8.062 ( -0.000 -1.473 0.515) 1.561 8.743 ( -0.000 -0.029 0.093) 0.097 8.847 ( -0.000 3.942 -0.198) 3.947 9.232 ( 0.000 -1.682 0.140) 1.688 ======================= Grid point 247 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -2.416 11.146 3.190) 11.842 1.026 ( -3.969 13.393 3.747) 14.462 1.315 ( -1.489 4.153 -0.624) 4.456 1.590 ( 1.119 1.352 0.075) 1.756 1.692 ( -0.248 1.185 -1.922) 2.271 1.860 ( -4.783 7.603 -1.437) 9.096 1.955 ( 0.212 0.589 2.111) 2.202 2.235 ( 2.303 -4.575 1.565) 5.356 2.265 ( 0.701 -1.767 -3.198) 3.720 2.673 ( 3.723 -14.152 -0.632) 14.648 3.066 ( 0.680 -1.486 -0.486) 1.705 3.519 ( -0.191 -0.119 0.089) 0.241 3.643 ( 4.911 -9.282 -0.284) 10.505 3.832 ( -3.926 -4.958 -0.149) 6.326 4.023 ( 3.967 1.549 0.075) 4.259 4.504 ( -1.189 0.324 -0.014) 1.232 4.766 ( -2.358 8.226 -0.114) 8.558 5.424 ( -2.047 3.313 0.065) 3.895 5.562 ( 1.101 -1.741 0.076) 2.062 5.602 ( -1.774 8.055 0.051) 8.248 6.527 ( 2.482 -8.188 -0.421) 8.566 7.797 ( -1.142 1.644 0.035) 2.002 7.865 ( -0.662 2.066 0.154) 2.175 8.047 ( 0.540 -1.327 0.293) 1.463 8.745 ( -0.171 -0.100 0.049) 0.204 8.890 ( -0.678 4.048 -0.281) 4.114 9.213 ( 0.140 -2.092 0.025) 2.097 ======================= Grid point 248 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -6.879 14.931 0.105) 16.439 1.248 ( -5.890 10.232 2.228) 12.014 1.370 ( -2.489 2.486 1.581) 3.857 1.530 ( 3.152 -0.647 -2.685) 4.191 1.712 ( -1.038 0.086 -0.665) 1.236 1.913 ( 0.643 -5.144 -0.044) 5.184 1.968 ( 1.057 -0.564 -0.537) 1.313 2.144 ( 3.649 -5.611 0.857) 6.748 2.346 ( -6.909 12.910 -0.080) 14.643 2.449 ( 5.998 -13.685 -0.899) 14.969 3.029 ( 1.321 -2.197 -0.307) 2.582 3.461 ( 5.739 -9.569 -0.131) 11.159 3.530 ( -0.598 0.464 0.011) 0.757 3.835 ( -0.812 -3.374 -0.126) 3.473 3.956 ( 4.009 -0.213 0.000) 4.015 4.531 ( -1.231 0.743 -0.005) 1.438 4.903 ( -4.513 8.273 -0.075) 9.424 5.496 ( -2.444 2.982 0.104) 3.857 5.510 ( 2.256 -3.087 -0.003) 3.824 5.721 ( -3.426 7.624 0.084) 8.359 6.393 ( 4.021 -7.805 -0.230) 8.783 7.836 ( -1.519 1.512 0.079) 2.145 7.900 ( -1.150 1.799 0.080) 2.137 8.025 ( 0.946 -1.038 0.104) 1.408 8.747 ( -0.196 -0.167 0.004) 0.257 8.939 ( -0.865 3.720 -0.288) 3.830 9.189 ( 0.167 -2.420 -0.021) 2.426 ======================= Grid point 249 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -9.361 14.900 -0.382) 17.601 1.385 ( -2.062 2.284 2.651) 4.062 1.454 ( 2.680 -0.487 -2.224) 3.517 1.521 ( -7.567 6.857 0.297) 10.216 1.722 ( -0.681 0.082 -0.086) 0.692 1.795 ( 4.637 -7.363 -0.567) 8.720 1.919 ( 1.447 -2.726 -0.269) 3.098 2.044 ( 2.386 -4.506 0.272) 5.106 2.200 ( 7.212 -12.209 -0.333) 14.184 2.640 ( -10.004 13.351 0.176) 16.685 2.983 ( 0.906 -2.792 -0.209) 2.943 3.260 ( 8.053 -8.585 -0.103) 11.771 3.555 ( -1.229 1.574 -0.008) 1.997 3.774 ( 5.773 0.649 -0.015) 5.810 3.920 ( -2.077 -4.494 -0.064) 4.951 4.554 ( -0.470 1.072 0.002) 1.171 5.057 ( -4.642 7.210 -0.034) 8.575 5.427 ( 2.857 -4.304 0.039) 5.166 5.560 ( -1.420 2.840 0.056) 3.176 5.855 ( -4.283 6.305 0.051) 7.622 6.251 ( 4.205 -6.936 -0.059) 8.111 7.872 ( -0.933 1.445 0.057) 1.721 7.934 ( -1.408 0.735 0.027) 1.589 7.999 ( 1.193 -0.462 0.008) 1.279 8.748 ( -0.192 -0.190 -0.012) 0.271 8.982 ( -0.414 3.150 -0.139) 3.180 9.163 ( 0.012 -2.587 -0.060) 2.588 ======================= Grid point 250 (107/171) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 3.664 -0.482 -0.000) 3.695 1.452 ( -2.473 0.826 0.000) 2.608 1.519 ( 3.049 6.677 0.000) 7.341 1.552 ( 8.026 -5.410 -0.000) 9.679 1.753 ( -2.014 1.525 0.000) 2.526 1.786 ( -8.835 3.845 0.000) 9.635 1.895 ( -3.594 -1.067 -0.000) 3.749 2.002 ( -1.001 -2.053 -0.000) 2.284 2.029 ( -0.106 -6.135 -0.000) 6.136 2.840 ( 3.444 4.307 0.000) 5.514 2.951 ( -0.598 -2.768 -0.000) 2.832 3.084 ( -0.229 -2.682 -0.000) 2.692 3.586 ( 0.338 1.512 0.000) 1.549 3.711 ( 2.517 2.974 0.000) 3.896 3.916 ( -3.082 -5.505 -0.000) 6.309 4.564 ( 0.411 0.964 0.000) 1.048 5.149 ( 1.964 3.582 0.000) 4.085 5.369 ( -1.748 -2.657 -0.000) 3.180 5.592 ( 0.514 2.243 0.000) 2.301 5.939 ( 1.980 2.365 0.000) 3.085 6.165 ( -2.510 -3.355 -0.000) 4.190 7.892 ( 0.192 1.368 0.000) 1.381 7.947 ( 0.083 -1.255 -0.000) 1.257 7.988 ( -0.075 0.848 0.000) 0.851 8.749 ( -0.187 -0.164 -0.000) 0.248 9.003 ( 1.092 2.000 0.000) 2.278 9.145 ( -0.832 -1.984 -0.000) 2.152 ======================= Grid point 257 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -0.000 2.387 5.320) 5.831 0.893 ( -0.000 13.185 3.743) 13.706 1.172 ( 0.000 17.171 -2.033) 17.291 1.610 ( -0.000 -0.803 3.938) 4.019 1.677 ( 0.000 -0.946 -4.072) 4.180 1.742 ( 0.000 4.010 -2.030) 4.495 1.951 ( 0.000 3.277 1.518) 3.612 2.277 ( 0.000 -3.586 -3.132) 4.762 2.314 ( 0.000 -4.293 1.477) 4.540 2.833 ( 0.000 -12.776 -0.160) 12.777 3.080 ( -0.000 -1.204 -0.414) 1.273 3.520 ( 0.000 -0.320 0.057) 0.325 3.786 ( -0.000 -8.651 -0.238) 8.654 3.825 ( 0.000 -4.293 0.057) 4.293 4.042 ( -0.000 1.537 0.059) 1.538 4.491 ( 0.000 0.263 -0.018) 0.263 4.673 ( 0.000 7.052 -0.115) 7.053 5.374 ( 0.000 3.324 0.055) 3.324 5.508 ( -0.000 7.741 0.039) 7.742 5.585 ( 0.000 -0.808 0.003) 0.808 6.622 ( 0.000 -7.739 -0.317) 7.745 7.771 ( -0.000 1.634 -0.001) 1.634 7.841 ( 0.000 1.862 0.103) 1.865 8.068 ( -0.000 -1.588 0.285) 1.613 8.744 ( 0.000 -0.046 0.057) 0.073 8.845 ( 0.000 3.822 -0.120) 3.824 9.234 ( -0.000 -1.871 0.088) 1.873 ======================= Grid point 258 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -1.370 8.765 1.363) 8.975 1.065 ( -3.352 13.111 1.596) 13.626 1.306 ( -2.307 6.326 -0.489) 6.752 1.580 ( 3.396 -0.983 -0.830) 3.631 1.683 ( -2.306 -0.378 0.079) 2.338 1.844 ( -5.096 8.442 -0.621) 9.881 1.979 ( 0.519 1.119 1.063) 1.629 2.225 ( 0.506 0.039 -1.380) 1.470 2.256 ( 2.287 -5.353 0.524) 5.845 2.667 ( 3.751 -14.580 -0.253) 15.057 3.061 ( 0.594 -1.512 -0.188) 1.635 3.520 ( -0.168 -0.086 0.034) 0.192 3.640 ( 4.755 -9.497 -0.109) 10.621 3.830 ( -3.865 -4.978 -0.052) 6.302 4.023 ( 3.995 1.569 0.029) 4.292 4.504 ( -1.191 0.330 -0.005) 1.236 4.765 ( -2.366 8.246 -0.052) 8.578 5.425 ( -2.039 3.324 0.026) 3.900 5.563 ( 1.148 -1.870 0.035) 2.195 5.602 ( -1.817 8.241 0.011) 8.438 6.523 ( 2.464 -8.157 -0.159) 8.523 7.798 ( -1.172 1.657 0.013) 2.030 7.866 ( -0.633 2.095 0.057) 2.190 8.050 ( 0.566 -1.427 0.108) 1.539 8.745 ( -0.151 -0.110 0.019) 0.188 8.888 ( -0.649 3.960 -0.107) 4.014 9.214 ( 0.091 -2.242 0.010) 2.244 ======================= Grid point 259 (110/171) ======================= q-point: ( 0.80 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -6.455 14.416 0.000) 15.795 1.265 ( -5.876 10.356 0.000) 11.906 1.381 ( -2.869 3.130 0.000) 4.246 1.510 ( 3.451 -1.005 -0.000) 3.595 1.707 ( -1.234 -0.382 -0.000) 1.292 1.912 ( 0.705 -4.783 -0.000) 4.835 1.964 ( 1.444 -1.365 -0.000) 1.987 2.150 ( 3.815 -5.654 -0.000) 6.821 2.347 ( -7.692 14.024 0.000) 15.995 2.442 ( 6.210 -14.471 -0.000) 15.747 3.026 ( 1.320 -2.205 -0.000) 2.569 3.460 ( 5.717 -9.622 -0.000) 11.193 3.530 ( -0.601 0.470 0.000) 0.763 3.835 ( -0.855 -3.408 -0.000) 3.514 3.956 ( 4.079 -0.175 -0.000) 4.083 4.531 ( -1.231 0.747 0.000) 1.440 4.903 ( -4.509 8.287 0.000) 9.434 5.496 ( -2.596 3.146 0.000) 4.079 5.509 ( 2.391 -3.245 -0.000) 4.030 5.722 ( -3.421 7.647 0.000) 8.377 6.391 ( 3.999 -7.768 -0.000) 8.737 7.837 ( -1.538 1.519 0.000) 2.162 7.900 ( -1.127 1.810 0.000) 2.132 8.025 ( 0.964 -1.081 -0.000) 1.449 8.747 ( -0.185 -0.172 -0.000) 0.252 8.937 ( -0.859 3.689 0.000) 3.787 9.189 ( 0.139 -2.503 -0.000) 2.507 ======================= Grid point 265 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 17.515 -0.000 1.446) 17.574 1.157 ( 14.059 -0.000 2.277) 14.242 1.346 ( 1.205 -0.000 1.828) 2.189 1.489 ( -2.134 0.000 -3.135) 3.792 1.699 ( -0.469 0.000 -1.102) 1.197 1.944 ( 4.140 -0.000 0.193) 4.145 2.090 ( -5.224 0.000 0.592) 5.257 2.111 ( -7.459 0.000 -0.877) 7.510 2.322 ( 16.228 -0.000 -0.054) 16.228 2.486 ( -16.091 0.000 0.558) 16.101 3.027 ( -2.370 0.000 1.376) 2.741 3.455 ( -12.967 0.000 0.121) 12.967 3.540 ( 0.989 -0.000 -0.077) 0.992 3.819 ( -2.365 0.000 0.000) 2.365 3.935 ( -1.896 0.000 0.466) 1.952 4.546 ( 0.862 -0.000 -0.050) 0.863 4.902 ( 9.542 -0.000 -0.181) 9.543 5.505 ( -3.685 0.000 -0.017) 3.685 5.533 ( 3.464 -0.000 -0.375) 3.484 5.681 ( 9.183 -0.000 0.019) 9.183 6.407 ( -9.242 0.000 -0.446) 9.253 7.864 ( 2.322 -0.000 0.030) 2.322 7.887 ( 1.676 -0.000 -0.060) 1.677 8.034 ( -1.330 0.000 0.267) 1.356 8.755 ( -0.136 0.000 0.070) 0.153 8.909 ( 3.583 -0.000 -0.573) 3.629 9.216 ( -1.551 0.000 1.071) 1.884 ======================= Grid point 269 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -0.000 0.372 0.000) 0.372 0.920 ( -0.000 12.897 -0.000) 12.897 1.156 ( -0.000 17.542 0.000) 17.542 1.641 ( 0.000 -1.305 -0.000) 1.305 1.648 ( 0.000 -0.947 0.000) 0.947 1.723 ( -0.000 4.901 0.000) 4.901 1.962 ( -0.000 3.776 0.000) 3.776 2.254 ( 0.000 -3.722 0.000) 3.722 2.324 ( 0.000 -4.310 0.000) 4.310 2.832 ( 0.000 -12.974 0.000) 12.974 3.077 ( 0.000 -1.209 0.000) 1.209 3.521 ( 0.000 -0.305 0.000) 0.305 3.785 ( 0.000 -8.794 0.000) 8.794 3.825 ( 0.000 -4.304 0.000) 4.304 4.042 ( -0.000 1.542 0.000) 1.542 4.491 ( -0.000 0.267 0.000) 0.267 4.672 ( -0.000 7.061 0.000) 7.061 5.375 ( -0.000 3.325 0.000) 3.325 5.509 ( -0.000 7.805 0.000) 7.805 5.585 ( 0.000 -0.828 0.000) 0.828 6.620 ( 0.000 -7.747 0.000) 7.747 7.771 ( -0.000 1.640 0.000) 1.640 7.842 ( -0.000 1.880 0.000) 1.880 8.070 ( 0.000 -1.620 0.000) 1.620 8.744 ( 0.000 -0.052 0.000) 0.052 8.844 ( -0.000 3.776 0.000) 3.776 9.235 ( 0.000 -1.943 0.000) 1.943 ======================= Grid point 276 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 3.104 -0.309 -0.070) 3.120 1.399 ( 11.760 -1.383 1.790) 11.976 1.414 ( 12.104 -1.818 1.126) 12.291 1.473 ( 1.969 -0.219 -0.207) 1.992 1.689 ( -0.051 -1.145 -1.790) 2.126 1.951 ( -8.024 3.092 -0.394) 8.608 1.964 ( -0.289 -0.092 -0.737) 0.797 1.996 ( -5.784 -1.148 -0.267) 5.903 2.216 ( -15.347 2.436 0.787) 15.559 2.646 ( 17.916 -2.018 1.049) 18.060 3.002 ( -2.266 -1.066 1.129) 2.747 3.240 ( -12.040 1.889 0.082) 12.187 3.564 ( 2.076 0.163 -0.066) 2.084 3.753 ( -1.970 4.758 -0.033) 5.150 3.926 ( -2.742 -4.676 0.308) 5.429 4.558 ( 0.928 0.491 -0.037) 1.050 5.055 ( 8.434 -0.543 -0.173) 8.454 5.430 ( -5.100 0.298 -0.007) 5.109 5.573 ( 2.311 1.122 -0.299) 2.586 5.836 ( 8.350 -1.398 -0.015) 8.466 6.253 ( -8.587 0.380 -0.300) 8.601 7.889 ( 1.247 1.028 -0.029) 1.616 7.917 ( 1.329 -1.222 -0.059) 1.807 8.012 ( -1.185 0.505 0.122) 1.294 8.754 ( -0.168 -0.063 0.063) 0.190 8.961 ( 3.160 0.107 -0.457) 3.194 9.196 ( -1.756 -0.074 0.938) 1.993 ======================= Grid point 277 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 16.647 0.000 0.990) 16.676 1.184 ( 14.128 0.000 1.488) 14.207 1.374 ( 1.224 -0.000 2.133) 2.460 1.446 ( -0.903 0.000 -3.029) 3.161 1.685 ( -1.215 -0.000 -0.786) 1.447 1.947 ( 1.633 0.000 0.241) 1.651 2.093 ( -6.626 -0.000 -0.036) 6.626 2.101 ( -7.138 0.000 -0.504) 7.156 2.324 ( 19.239 -0.000 0.234) 19.241 2.493 ( -15.804 -0.000 0.324) 15.808 3.043 ( -2.237 0.000 0.835) 2.388 3.457 ( -12.939 0.000 0.073) 12.939 3.539 ( 0.955 -0.000 -0.047) 0.956 3.819 ( -2.412 -0.000 0.003) 2.412 3.940 ( -1.936 0.000 0.287) 1.957 4.545 ( 0.862 -0.000 -0.031) 0.862 4.900 ( 9.488 0.000 -0.124) 9.489 5.505 ( -3.684 -0.000 -0.005) 3.684 5.529 ( 3.456 -0.000 -0.233) 3.464 5.681 ( 9.156 -0.000 0.010) 9.156 6.402 ( -9.202 -0.000 -0.274) 9.206 7.864 ( 2.315 0.000 0.019) 2.315 7.886 ( 1.639 -0.000 -0.038) 1.640 8.037 ( -1.433 -0.000 0.163) 1.443 8.756 ( -0.128 0.000 0.043) 0.135 8.902 ( 3.531 -0.000 -0.355) 3.549 9.228 ( -1.453 -0.000 0.659) 1.595 ======================= Grid point 287 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -2.204 0.230 -1.171) 2.506 1.501 ( 1.153 0.823 0.687) 1.574 1.578 ( 4.594 6.996 0.811) 8.409 1.623 ( 5.160 -3.151 1.615) 6.258 1.683 ( -1.453 -0.611 -1.531) 2.197 1.789 ( -3.367 2.251 0.058) 4.051 1.942 ( -2.919 -2.656 0.709) 4.010 1.978 ( -2.097 -1.542 -0.448) 2.642 2.041 ( 1.106 -3.787 0.066) 3.946 2.841 ( 0.400 6.152 0.111) 6.166 2.994 ( -1.237 -2.082 0.556) 2.485 3.100 ( 1.054 -3.397 0.250) 3.565 3.587 ( 0.569 1.581 0.019) 1.681 3.707 ( 2.590 2.935 -0.048) 3.914 3.928 ( -3.221 -5.477 0.178) 6.357 4.563 ( 0.432 0.910 -0.016) 1.007 5.148 ( 2.413 3.281 -0.020) 4.073 5.365 ( -1.986 -2.495 -0.053) 3.190 5.581 ( 0.606 2.027 -0.175) 2.123 5.935 ( 1.638 2.516 -0.062) 3.003 6.160 ( -1.849 -3.893 -0.064) 4.311 7.887 ( -0.019 1.370 -0.080) 1.372 7.943 ( -0.017 -1.305 -0.052) 1.306 7.992 ( -0.136 0.953 0.051) 0.964 8.752 ( -0.210 -0.115 0.038) 0.243 8.998 ( 2.097 1.185 -0.128) 2.412 9.177 ( -1.448 -0.626 0.511) 1.658 ======================= Grid point 288 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 1.451 -0.221 -0.100) 1.471 1.416 ( 12.453 0.274 0.595) 12.471 1.427 ( 11.826 -3.091 0.620) 12.239 1.472 ( 3.723 -0.325 0.016) 3.737 1.670 ( -0.669 -1.451 -0.801) 1.787 1.948 ( -8.239 3.391 -0.122) 8.911 1.956 ( 0.250 -0.188 -0.321) 0.448 1.993 ( -5.765 -1.400 -0.089) 5.934 2.223 ( -15.246 2.420 0.286) 15.439 2.656 ( 17.724 -1.949 0.405) 17.836 3.013 ( -2.309 -0.921 0.428) 2.522 3.241 ( -12.022 1.977 0.030) 12.183 3.563 ( 2.093 0.136 -0.026) 2.098 3.753 ( -1.991 4.764 -0.013) 5.163 3.929 ( -2.771 -4.636 0.118) 5.402 4.558 ( 0.930 0.484 -0.014) 1.049 5.053 ( 8.461 -0.557 -0.068) 8.480 5.430 ( -5.110 0.291 -0.001) 5.118 5.570 ( 2.317 1.085 -0.115) 2.561 5.836 ( 8.337 -1.399 -0.006) 8.454 6.250 ( -8.532 0.355 -0.114) 8.541 7.889 ( 1.207 1.052 -0.012) 1.601 7.916 ( 1.312 -1.262 -0.022) 1.821 8.013 ( -1.220 0.524 0.047) 1.329 8.754 ( -0.166 -0.056 0.024) 0.177 8.957 ( 3.217 0.062 -0.176) 3.223 9.205 ( -1.747 0.023 0.358) 1.784 ======================= Grid point 289 (117/171) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 16.249 -0.000 0.000) 16.249 1.195 ( 14.188 -0.000 0.000) 14.188 1.403 ( 4.796 -0.000 -0.000) 4.796 1.409 ( -3.932 0.000 0.000) 3.932 1.679 ( -1.534 0.000 0.000) 1.534 1.949 ( 0.732 -0.000 0.000) 0.732 2.092 ( -7.025 0.000 0.000) 7.025 2.097 ( -7.008 0.000 0.000) 7.008 2.326 ( 20.203 -0.000 0.000) 20.203 2.495 ( -15.699 0.000 0.000) 15.699 3.049 ( -2.185 0.000 0.000) 2.185 3.457 ( -12.929 0.000 -0.000) 12.929 3.539 ( 0.941 -0.000 0.000) 0.941 3.820 ( -2.430 0.000 0.000) 2.430 3.942 ( -1.951 0.000 0.000) 1.951 4.545 ( 0.862 -0.000 0.000) 0.862 4.899 ( 9.471 -0.000 0.000) 9.471 5.505 ( -3.684 0.000 0.000) 3.684 5.527 ( 3.452 -0.000 0.000) 3.452 5.681 ( 9.146 -0.000 0.000) 9.146 6.400 ( -9.187 0.000 0.000) 9.187 7.864 ( 2.312 -0.000 0.000) 2.312 7.886 ( 1.625 -0.000 0.000) 1.625 8.038 ( -1.471 0.000 0.000) 1.471 8.757 ( -0.124 0.000 0.000) 0.124 8.900 ( 3.511 -0.000 0.000) 3.511 9.233 ( -1.416 0.000 0.000) 1.416 ======================= Grid point 298 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -2.113 0.656 -0.654) 2.307 1.385 ( -9.309 15.231 0.486) 17.857 1.404 ( -8.299 8.121 -0.601) 11.626 1.634 ( 1.412 0.586 0.966) 1.809 1.695 ( 1.763 -1.448 -0.365) 2.311 1.895 ( 5.368 -6.244 0.986) 8.293 1.960 ( 0.540 -3.383 0.699) 3.496 1.982 ( 0.181 -3.908 -1.197) 4.092 2.240 ( 10.053 -9.374 0.260) 13.748 2.618 ( -9.364 13.914 -0.157) 16.773 3.012 ( 0.291 -2.525 0.220) 2.551 3.274 ( 7.420 -8.601 0.093) 11.359 3.556 ( -1.221 1.797 0.007) 2.173 3.776 ( 6.176 0.683 0.011) 6.214 3.929 ( -2.500 -4.673 0.072) 5.300 4.554 ( -0.453 1.016 -0.002) 1.113 5.061 ( -4.666 7.039 0.030) 8.446 5.422 ( 3.018 -4.268 -0.036) 5.227 5.552 ( -1.251 2.656 -0.061) 2.937 5.848 ( -4.318 6.187 -0.053) 7.545 6.259 ( 4.522 -7.394 0.061) 8.667 7.864 ( -0.971 1.406 -0.057) 1.710 7.931 ( -1.508 0.630 -0.028) 1.635 7.998 ( 1.019 -0.165 -0.006) 1.033 8.749 ( -0.260 -0.136 0.010) 0.294 8.998 ( 0.265 2.870 0.099) 2.884 9.174 ( -0.313 -1.433 0.100) 1.470 ======================= Grid point 299 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -2.427 0.189 0.000) 2.435 1.506 ( 0.952 1.040 0.000) 1.410 1.584 ( 4.725 7.089 0.000) 8.519 1.637 ( 5.240 -2.669 -0.000) 5.880 1.669 ( -1.294 -1.266 -0.000) 1.810 1.790 ( -3.146 2.115 0.000) 3.791 1.947 ( -2.443 -3.092 -0.000) 3.941 1.975 ( -2.347 -1.245 -0.000) 2.657 2.042 ( 1.038 -3.536 -0.000) 3.685 2.842 ( 0.107 6.400 0.000) 6.400 2.998 ( -1.278 -2.056 -0.000) 2.420 3.102 ( 1.150 -3.468 -0.000) 3.654 3.587 ( 0.593 1.587 0.000) 1.694 3.707 ( 2.597 2.930 0.000) 3.915 3.929 ( -3.234 -5.473 -0.000) 6.357 4.563 ( 0.434 0.904 0.000) 1.003 5.147 ( 2.463 3.248 0.000) 4.076 5.364 ( -2.016 -2.479 -0.000) 3.195 5.579 ( 0.616 2.006 0.000) 2.098 5.934 ( 1.601 2.532 0.000) 2.996 6.160 ( -1.779 -3.950 -0.000) 4.333 7.886 ( -0.040 1.369 0.000) 1.370 7.943 ( -0.028 -1.310 -0.000) 1.310 7.992 ( -0.144 0.964 0.000) 0.975 8.752 ( -0.213 -0.110 -0.000) 0.240 8.997 ( 2.191 1.114 0.000) 2.458 9.180 ( -1.500 -0.499 -0.000) 1.581 ======================= Grid point 308 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -10.187 17.772 0.000) 20.484 1.149 ( -9.058 12.578 0.000) 15.500 1.255 ( 0.173 -0.091 -0.000) 0.196 1.665 ( 0.832 0.960 0.000) 1.270 1.747 ( 3.155 -1.219 -0.000) 3.383 1.946 ( -1.680 4.776 0.000) 5.063 2.016 ( -0.191 -3.304 -0.000) 3.309 2.035 ( 1.706 -4.439 -0.000) 4.756 2.386 ( -3.045 6.518 0.000) 7.194 2.490 ( 7.405 -11.768 -0.000) 13.904 3.049 ( 1.289 -2.029 -0.000) 2.404 3.469 ( 5.784 -9.004 -0.000) 10.701 3.530 ( -0.408 0.337 0.000) 0.530 3.844 ( -0.290 -3.026 -0.000) 3.039 3.957 ( 3.296 -0.586 -0.000) 3.348 4.531 ( -1.230 0.703 0.000) 1.416 4.907 ( -4.582 8.220 0.000) 9.411 5.492 ( -2.497 3.010 0.000) 3.911 5.506 ( 2.482 -3.231 -0.000) 4.074 5.715 ( -3.484 7.433 0.000) 8.209 6.409 ( 4.238 -8.180 -0.000) 9.213 7.830 ( -1.343 1.454 0.000) 1.979 7.894 ( -1.385 1.694 0.000) 2.188 8.017 ( 0.756 -0.594 -0.000) 0.961 8.746 ( -0.293 -0.121 -0.000) 0.317 8.958 ( -0.881 3.975 0.000) 4.071 9.191 ( 0.401 -1.606 -0.000) 1.656 ======================= Grid point 318 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -0.000 21.268 0.000) 21.268 0.997 ( -0.000 16.895 0.000) 16.895 1.265 ( 0.000 -1.633 -0.000) 1.633 1.635 ( -0.000 9.214 0.000) 9.214 1.850 ( 0.000 -2.504 -0.000) 2.504 1.948 ( -0.000 11.129 0.000) 11.129 1.979 ( 0.000 -0.510 -0.000) 0.510 2.016 ( 0.000 -7.693 -0.000) 7.693 2.383 ( 0.000 -1.493 -0.000) 1.493 2.593 ( 0.000 -14.834 -0.000) 14.834 3.087 ( 0.000 -0.955 -0.000) 0.955 3.509 ( 0.000 -0.235 -0.000) 0.235 3.629 ( 0.000 -11.077 -0.000) 11.077 3.737 ( 0.000 -4.289 -0.000) 4.289 4.070 ( -0.000 1.669 0.000) 1.669 4.496 ( -0.000 0.158 0.000) 0.158 4.835 ( -0.000 9.165 0.000) 9.165 5.433 ( -0.000 3.017 0.000) 3.017 5.549 ( 0.000 -2.683 -0.000) 2.683 5.665 ( -0.000 8.763 0.000) 8.763 6.482 ( 0.000 -9.085 -0.000) 9.085 7.803 ( -0.000 1.568 0.000) 1.568 7.870 ( -0.000 2.046 0.000) 2.046 8.030 ( 0.000 -0.512 -0.000) 0.512 8.740 ( 0.000 -0.011 -0.000) 0.011 8.940 ( -0.000 4.644 0.000) 4.644 9.200 ( 0.000 -1.785 -0.000) 1.785 ======================= Grid point 319 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -4.410 17.702 0.346) 18.246 1.186 ( -3.358 15.131 0.688) 15.515 1.264 ( -0.245 1.971 0.548) 2.060 1.686 ( 0.514 1.837 -0.611) 2.003 1.790 ( 3.362 -1.889 -0.172) 3.860 1.919 ( -0.465 -5.872 -3.158) 6.684 1.994 ( 0.118 -2.460 2.741) 3.685 2.028 ( 0.183 -0.153 0.122) 0.268 2.428 ( 0.918 -7.266 -0.844) 7.372 2.435 ( -0.852 4.398 0.095) 4.481 3.062 ( 1.793 -1.043 -0.196) 2.084 3.463 ( 4.493 -10.355 -0.177) 11.289 3.521 ( -0.709 -0.485 -0.011) 0.859 3.740 ( -4.166 -4.964 -0.050) 6.480 4.048 ( 4.382 1.347 0.040) 4.584 4.511 ( -1.504 0.250 -0.002) 1.524 4.938 ( -1.895 8.901 -0.010) 9.100 5.478 ( -2.091 2.468 0.029) 3.234 5.507 ( 1.506 -3.665 0.022) 3.963 5.758 ( -1.075 8.489 0.062) 8.557 6.377 ( 2.038 -8.826 -0.117) 9.059 7.825 ( -0.943 1.347 0.021) 1.644 7.894 ( -0.592 1.652 0.081) 1.757 8.023 ( 0.422 -0.265 0.039) 0.500 8.741 ( -0.167 -0.046 0.013) 0.173 8.987 ( -0.450 4.350 -0.171) 4.377 9.178 ( 0.279 -2.115 -0.097) 2.136 ======================= Grid point 320 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -1.603 1.186 1.768) 2.665 1.391 ( -4.962 11.409 0.834) 12.469 1.404 ( -6.025 15.727 -0.752) 16.859 1.650 ( 2.056 -1.126 -1.847) 2.985 1.730 ( 2.703 -0.300 0.460) 2.758 1.861 ( -0.799 -5.110 -1.985) 5.540 1.954 ( 2.437 -4.715 -0.100) 5.308 1.967 ( 2.529 -4.486 1.231) 5.295 2.244 ( 3.882 -12.500 -1.231) 13.147 2.643 ( -5.361 15.918 0.073) 16.797 3.012 ( 2.327 -1.391 -0.325) 2.731 3.283 ( 4.826 -10.064 -0.188) 11.163 3.547 ( -1.715 1.302 -0.020) 2.154 3.762 ( -3.939 -4.545 -0.130) 6.016 3.960 ( 7.065 0.483 0.069) 7.082 4.543 ( -1.740 0.467 0.004) 1.802 5.063 ( -3.614 7.606 -0.010) 8.421 5.430 ( 2.995 -4.475 0.024) 5.385 5.541 ( -2.667 1.843 0.088) 3.243 5.861 ( -2.193 7.397 0.117) 7.716 6.250 ( 3.473 -7.858 -0.116) 8.592 7.857 ( -1.435 1.170 0.085) 1.854 7.918 ( -0.749 0.620 0.107) 0.978 8.013 ( 0.737 0.063 0.011) 0.739 8.744 ( -0.224 -0.073 -0.004) 0.235 9.030 ( -0.084 3.686 -0.319) 3.701 9.152 ( 0.045 -2.388 -0.250) 2.402 ======================= Grid point 321 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -1.448 0.211 2.357) 2.774 1.520 ( 0.159 2.902 -0.784) 3.011 1.628 ( -4.321 6.027 -0.472) 7.431 1.636 ( -2.570 1.187 -0.788) 2.938 1.706 ( 1.261 6.421 -0.506) 6.563 1.804 ( 2.488 -0.546 -1.315) 2.866 1.870 ( 0.079 -4.203 -0.340) 4.218 1.903 ( -0.590 -6.650 0.812) 6.725 2.061 ( 5.185 -6.454 -1.275) 8.376 2.869 ( -5.875 10.797 -0.012) 12.292 2.967 ( 0.880 -1.244 -0.644) 1.654 3.110 ( 5.799 -7.952 -0.114) 9.843 3.594 ( -1.714 1.712 -0.113) 2.425 3.778 ( -1.015 -0.500 -0.127) 1.139 3.849 ( 4.105 -2.440 0.029) 4.776 4.569 ( -0.734 0.432 0.021) 0.852 5.193 ( -3.455 6.384 -0.001) 7.259 5.329 ( 3.175 -5.303 0.059) 6.181 5.592 ( -1.441 1.109 0.202) 1.829 5.971 ( -2.773 6.382 0.150) 6.960 6.119 ( 3.500 -6.881 -0.009) 7.720 7.892 ( -1.215 1.166 0.151) 1.691 7.928 ( -0.309 -0.698 0.096) 0.769 8.003 ( 0.604 0.347 -0.048) 0.698 8.747 ( -0.221 -0.059 -0.042) 0.232 9.045 ( 1.718 1.857 -0.022) 2.529 9.139 ( -1.411 -1.407 -0.732) 2.123 ======================= Grid point 322 (125/171) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -1.275 0.000 2.007) 2.378 1.495 ( 1.692 -0.000 -1.424) 2.211 1.542 ( 8.475 -0.000 -2.165) 8.747 1.637 ( 12.443 -0.000 -1.525) 12.536 1.706 ( -0.019 -0.000 2.450) 2.450 1.845 ( -6.578 0.000 -0.120) 6.579 1.895 ( -4.094 0.000 0.219) 4.099 1.976 ( 1.240 -0.000 0.206) 1.257 1.980 ( -13.160 0.000 -1.163) 13.211 2.888 ( 12.177 -0.000 -0.775) 12.201 2.961 ( -0.045 0.000 -0.988) 0.989 3.070 ( -9.689 0.000 -0.158) 9.691 3.603 ( 1.805 -0.000 -0.034) 1.806 3.767 ( 1.098 -0.000 0.103) 1.103 3.839 ( -3.803 0.000 -0.315) 3.816 4.573 ( 0.411 -0.000 0.040) 0.413 5.186 ( 7.331 -0.000 0.128) 7.332 5.336 ( -6.198 0.000 0.025) 6.198 5.606 ( 0.603 -0.000 0.329) 0.687 5.963 ( 7.468 -0.000 0.027) 7.468 6.121 ( -7.494 0.000 0.270) 7.499 7.916 ( 0.825 -0.000 0.044) 0.826 7.917 ( -0.342 0.000 0.182) 0.387 8.001 ( -0.261 0.000 -0.109) 0.283 8.750 ( -0.200 0.000 -0.074) 0.213 9.015 ( 2.768 -0.000 0.399) 2.797 9.156 ( -1.993 0.000 -1.150) 2.301 ======================= Grid point 329 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.000 20.656 1.218) 20.692 1.011 ( -0.000 16.530 1.955) 16.645 1.276 ( -0.000 -1.780 1.455) 2.299 1.631 ( -0.000 8.616 -0.472) 8.629 1.856 ( -0.000 -2.453 0.732) 2.560 1.909 ( 0.000 -2.525 -6.385) 6.866 1.949 ( -0.000 10.825 0.164) 10.826 2.076 ( -0.000 -5.576 4.900) 7.423 2.371 ( 0.000 -0.770 -1.686) 1.853 2.588 ( 0.000 -15.034 -0.634) 15.047 3.084 ( 0.000 -0.962 -0.430) 1.054 3.510 ( -0.000 -0.209 0.113) 0.238 3.624 ( 0.000 -11.156 -0.621) 11.174 3.738 ( 0.000 -4.290 0.042) 4.290 4.070 ( -0.000 1.676 0.070) 1.677 4.496 ( -0.000 0.160 -0.009) 0.160 4.835 ( -0.000 9.159 -0.024) 9.159 5.434 ( -0.000 3.021 0.064) 3.022 5.549 ( 0.000 -2.675 0.035) 2.675 5.666 ( -0.000 8.771 0.105) 8.772 6.480 ( 0.000 -9.045 -0.299) 9.050 7.803 ( -0.000 1.572 0.013) 1.572 7.872 ( -0.000 2.056 0.169) 2.063 8.032 ( -0.000 -0.585 0.164) 0.607 8.740 ( -0.000 -0.016 0.041) 0.044 8.938 ( -0.000 4.595 -0.256) 4.602 9.199 ( 0.000 -1.858 -0.118) 1.862 ======================= Grid point 330 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -4.140 18.309 0.723) 18.785 1.204 ( -3.052 14.458 1.878) 14.896 1.279 ( -0.292 0.830 1.693) 1.908 1.669 ( 1.001 1.388 -1.769) 2.462 1.780 ( 3.075 -1.187 -1.541) 3.639 1.875 ( -1.774 -4.939 -2.356) 5.753 2.011 ( 0.741 0.475 -0.479) 1.002 2.051 ( 0.768 -5.167 3.084) 6.066 2.412 ( 1.202 -8.000 -1.433) 8.216 2.432 ( -1.387 5.739 -0.520) 5.927 3.057 ( 1.707 -1.061 -0.514) 2.074 3.458 ( 4.323 -10.750 -0.505) 11.598 3.521 ( -0.747 -0.195 0.013) 0.772 3.739 ( -4.046 -4.884 -0.121) 6.344 4.049 ( 4.391 1.365 0.107) 4.600 4.510 ( -1.507 0.253 -0.006) 1.528 4.938 ( -1.884 8.935 -0.032) 9.131 5.479 ( -2.064 2.464 0.079) 3.216 5.507 ( 1.485 -3.663 0.048) 3.953 5.759 ( -1.074 8.500 0.159) 8.569 6.374 ( 2.009 -8.738 -0.306) 8.971 7.825 ( -0.977 1.350 0.055) 1.667 7.896 ( -0.555 1.662 0.210) 1.765 8.024 ( 0.438 -0.348 0.103) 0.569 8.742 ( -0.151 -0.054 0.033) 0.163 8.983 ( -0.443 4.276 -0.448) 4.322 9.176 ( 0.240 -2.241 -0.252) 2.268 ======================= Grid point 331 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -1.457 1.893 3.039) 3.865 1.388 ( -5.810 15.542 -1.272) 16.641 1.410 ( -4.726 10.043 1.638) 11.219 1.616 ( 2.013 -0.734 -2.954) 3.649 1.736 ( 2.085 -0.165 0.209) 2.102 1.831 ( -0.460 -4.642 -2.202) 5.158 1.946 ( 2.966 -4.178 -0.789) 5.184 1.989 ( 2.111 -5.623 1.718) 6.247 2.221 ( 3.695 -13.015 -2.078) 13.688 2.644 ( -5.567 15.747 0.103) 16.703 3.006 ( 2.356 -1.394 -0.514) 2.786 3.279 ( 4.608 -10.061 -0.312) 11.070 3.547 ( -1.644 1.265 -0.026) 2.075 3.759 ( -3.880 -4.453 -0.204) 5.910 3.961 ( 7.113 0.529 0.115) 7.133 4.543 ( -1.748 0.473 0.006) 1.811 5.063 ( -3.584 7.679 -0.017) 8.474 5.431 ( 2.963 -4.516 0.034) 5.401 5.542 ( -2.704 1.862 0.139) 3.286 5.863 ( -2.188 7.397 0.188) 7.716 6.248 ( 3.411 -7.745 -0.187) 8.465 7.859 ( -1.486 1.161 0.137) 1.891 7.920 ( -0.687 0.634 0.174) 0.951 8.013 ( 0.765 0.009 0.018) 0.766 8.744 ( -0.195 -0.082 -0.008) 0.212 9.024 ( -0.210 3.690 -0.535) 3.734 9.147 ( 0.081 -2.582 -0.386) 2.612 ======================= Grid point 332 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -0.942 0.372 3.308) 3.460 1.505 ( 1.101 1.153 -1.430) 2.142 1.619 ( -4.129 7.686 -0.766) 8.759 1.625 ( -3.232 3.376 -0.762) 4.736 1.700 ( 1.014 3.408 -0.315) 3.570 1.781 ( 0.739 -0.482 -1.964) 2.153 1.867 ( 0.900 -3.284 -0.113) 3.407 1.915 ( 0.020 -7.142 1.004) 7.212 2.039 ( 3.935 -6.519 -1.917) 7.852 2.869 ( -5.850 10.389 0.027) 11.922 2.957 ( 1.143 -1.261 -0.732) 1.853 3.108 ( 5.987 -7.734 -0.198) 9.783 3.592 ( -1.724 1.636 -0.145) 2.381 3.776 ( -1.256 -0.629 -0.166) 1.415 3.850 ( 4.427 -2.204 0.048) 4.946 4.569 ( -0.746 0.439 0.026) 0.866 5.193 ( -3.424 6.467 -0.001) 7.318 5.330 ( 3.095 -5.366 0.068) 6.195 5.595 ( -1.520 1.129 0.247) 1.909 5.974 ( -2.737 6.379 0.184) 6.944 6.118 ( 3.382 -6.801 -0.010) 7.596 7.894 ( -1.223 1.165 0.186) 1.699 7.929 ( -0.270 -0.695 0.120) 0.755 8.002 ( 0.647 0.326 -0.060) 0.727 8.746 ( -0.195 -0.065 -0.053) 0.213 9.044 ( 1.335 2.196 -0.083) 2.572 9.127 ( -1.167 -1.853 -0.851) 2.350 ======================= Grid point 333 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.288 -0.000 2.002) 2.023 1.476 ( 0.608 0.000 -1.240) 1.381 1.515 ( 9.098 -0.000 -1.665) 9.249 1.614 ( 12.067 -0.000 -1.676) 12.183 1.738 ( -0.471 -0.000 2.190) 2.240 1.843 ( -7.032 0.000 -0.269) 7.037 1.899 ( -3.872 0.000 0.317) 3.885 1.963 ( -13.049 0.000 -1.255) 13.109 1.978 ( -0.240 0.000 -0.010) 0.240 2.878 ( 12.527 -0.000 -0.474) 12.536 2.946 ( 0.636 0.000 -1.238) 1.392 3.068 ( -9.697 0.000 -0.162) 9.699 3.603 ( 1.631 -0.000 -0.040) 1.631 3.769 ( 1.154 -0.000 0.106) 1.159 3.835 ( -3.715 0.000 -0.315) 3.728 4.574 ( 0.402 -0.000 0.040) 0.404 5.188 ( 7.237 -0.000 0.119) 7.238 5.336 ( -6.181 0.000 0.032) 6.182 5.611 ( 0.546 -0.000 0.326) 0.636 5.963 ( 7.458 -0.000 0.026) 7.458 6.125 ( -7.574 0.000 0.270) 7.579 7.917 ( 0.879 -0.000 0.046) 0.881 7.919 ( -0.307 0.000 0.181) 0.357 7.999 ( -0.231 0.000 -0.108) 0.256 8.749 ( -0.189 0.000 -0.075) 0.204 9.021 ( 2.565 -0.000 0.399) 2.596 9.140 ( -1.937 0.000 -1.156) 2.255 ======================= Grid point 340 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.000 18.891 2.043) 19.001 1.050 ( -0.000 15.588 3.453) 15.966 1.301 ( -0.000 -1.558 1.922) 2.474 1.624 ( -0.000 6.731 -0.481) 6.748 1.818 ( 0.000 -2.065 -6.629) 6.943 1.867 ( -0.000 -1.460 0.706) 1.622 1.954 ( -0.000 9.068 0.682) 9.094 2.138 ( -0.000 -5.764 3.915) 6.968 2.339 ( 0.000 1.204 -2.754) 3.005 2.576 ( 0.000 -15.552 -1.060) 15.588 3.076 ( 0.000 -0.981 -0.697) 1.203 3.512 ( -0.000 -0.141 0.182) 0.230 3.613 ( 0.000 -11.374 -0.974) 11.415 3.738 ( 0.000 -4.291 0.068) 4.292 4.071 ( -0.000 1.696 0.119) 1.700 4.495 ( -0.000 0.166 -0.015) 0.167 4.835 ( -0.000 9.163 -0.066) 9.163 5.435 ( -0.000 3.033 0.102) 3.034 5.550 ( 0.000 -2.665 0.056) 2.666 5.668 ( -0.000 8.806 0.160) 8.807 6.474 ( 0.000 -8.946 -0.476) 8.959 7.803 ( -0.000 1.584 0.021) 1.584 7.875 ( -0.000 2.087 0.262) 2.104 8.035 ( -0.000 -0.765 0.258) 0.807 8.741 ( -0.000 -0.031 0.066) 0.073 8.934 ( -0.000 4.467 -0.412) 4.486 9.197 ( 0.000 -2.052 -0.190) 2.061 ======================= Grid point 341 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -3.641 18.393 0.592) 18.759 1.236 ( -2.431 13.186 2.707) 13.679 1.309 ( -0.616 0.260 2.492) 2.580 1.638 ( 2.022 0.517 -2.724) 3.432 1.745 ( 0.532 -0.255 -3.230) 3.284 1.861 ( -0.934 -4.795 0.006) 4.885 1.999 ( 0.860 -0.236 -1.092) 1.410 2.092 ( 1.514 -6.165 2.620) 6.868 2.390 ( 1.645 -11.087 -1.578) 11.319 2.422 ( -2.231 9.694 -0.818) 9.981 3.049 ( 1.566 -1.086 -0.638) 2.010 3.450 ( 3.956 -11.223 -0.682) 11.919 3.522 ( -0.711 0.109 0.077) 0.724 3.737 ( -3.853 -4.768 -0.131) 6.132 4.051 ( 4.408 1.394 0.139) 4.625 4.510 ( -1.513 0.257 -0.007) 1.534 4.937 ( -1.869 9.002 -0.050) 9.194 5.480 ( -2.042 2.474 0.107) 3.210 5.508 ( 1.471 -3.679 0.043) 3.962 5.762 ( -1.073 8.521 0.193) 8.590 6.370 ( 1.964 -8.598 -0.376) 8.828 7.826 ( -1.032 1.355 0.067) 1.705 7.900 ( -0.497 1.681 0.254) 1.772 8.026 ( 0.463 -0.481 0.128) 0.680 8.742 ( -0.124 -0.067 0.040) 0.146 8.976 ( -0.430 4.153 -0.553) 4.212 9.172 ( 0.175 -2.444 -0.310) 2.469 ======================= Grid point 342 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -1.674 3.655 3.405) 5.269 1.370 ( -5.189 14.405 -1.142) 15.354 1.436 ( -4.393 8.254 2.102) 9.583 1.571 ( 1.845 -0.048 -3.445) 3.908 1.732 ( 0.495 0.223 -0.810) 0.975 1.805 ( 1.009 -5.141 -1.272) 5.391 1.935 ( 2.651 -3.387 -0.781) 4.371 2.011 ( 2.372 -6.207 1.427) 6.796 2.190 ( 3.537 -13.845 -2.256) 14.467 2.645 ( -5.829 15.548 0.087) 16.605 2.999 ( 2.370 -1.386 -0.500) 2.791 3.275 ( 4.331 -10.062 -0.321) 10.959 3.547 ( -1.542 1.217 -0.019) 1.965 3.756 ( -3.799 -4.344 -0.197) 5.774 3.963 ( 7.172 0.585 0.119) 7.197 4.543 ( -1.758 0.480 0.006) 1.822 5.063 ( -3.548 7.774 -0.019) 8.545 5.431 ( 2.923 -4.573 0.028) 5.428 5.544 ( -2.753 1.888 0.136) 3.341 5.866 ( -2.183 7.399 0.186) 7.716 6.246 ( 3.336 -7.605 -0.187) 8.306 7.861 ( -1.551 1.150 0.136) 1.935 7.922 ( -0.612 0.652 0.174) 0.912 8.013 ( 0.801 -0.059 0.019) 0.803 8.744 ( -0.159 -0.091 -0.009) 0.184 9.016 ( -0.337 3.669 -0.558) 3.726 9.142 ( 0.098 -2.797 -0.363) 2.822 ======================= Grid point 343 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -0.276 0.486 3.562) 3.606 1.481 ( 1.518 0.070 -2.056) 2.557 1.608 ( -5.565 11.508 -0.793) 12.807 1.616 ( -0.977 2.283 -0.397) 2.515 1.699 ( -0.200 0.733 0.104) 0.767 1.753 ( -0.474 -0.461 -1.996) 2.103 1.867 ( 1.366 -2.307 0.048) 2.681 1.931 ( 0.548 -7.453 1.288) 7.583 2.009 ( 2.637 -6.632 -2.233) 7.478 2.870 ( -5.972 10.008 0.064) 11.655 2.948 ( 1.474 -1.220 -0.554) 1.992 3.105 ( 6.229 -7.587 -0.201) 9.819 3.590 ( -1.732 1.558 -0.122) 2.333 3.774 ( -1.461 -0.743 -0.140) 1.645 3.851 ( 4.714 -1.984 0.048) 5.115 4.569 ( -0.757 0.447 0.021) 0.879 5.193 ( -3.389 6.554 -0.000) 7.378 5.331 ( 3.007 -5.433 0.050) 6.210 5.598 ( -1.599 1.149 0.198) 1.978 5.976 ( -2.699 6.376 0.148) 6.925 6.118 ( 3.261 -6.722 -0.007) 7.471 7.897 ( -1.231 1.163 0.151) 1.700 7.931 ( -0.232 -0.690 0.098) 0.734 8.001 ( 0.690 0.305 -0.048) 0.756 8.746 ( -0.170 -0.071 -0.044) 0.190 9.043 ( 0.915 2.580 -0.133) 2.741 9.117 ( -0.885 -2.344 -0.625) 2.582 ======================= Grid point 344 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 2.415 -0.000 1.135) 2.668 1.464 ( -1.122 0.000 -0.524) 1.238 1.497 ( 9.578 -0.000 -0.900) 9.620 1.593 ( 11.667 -0.000 -1.157) 11.724 1.765 ( -0.112 -0.000 1.508) 1.513 1.838 ( -8.300 0.000 -0.396) 8.310 1.903 ( -3.289 0.000 0.264) 3.299 1.947 ( -12.759 0.000 -0.831) 12.786 1.977 ( -1.793 0.000 -0.141) 1.798 2.875 ( 13.647 -0.000 -0.035) 13.647 2.929 ( 0.382 0.000 -0.994) 1.065 3.066 ( -9.704 0.000 -0.102) 9.705 3.602 ( 1.487 -0.000 -0.027) 1.488 3.770 ( 1.199 -0.000 0.067) 1.201 3.831 ( -3.643 0.000 -0.195) 3.648 4.574 ( 0.395 -0.000 0.025) 0.396 5.189 ( 7.160 -0.000 0.069) 7.160 5.337 ( -6.169 0.000 0.023) 6.169 5.615 ( 0.500 -0.000 0.200) 0.538 5.963 ( 7.449 -0.000 0.016) 7.449 6.128 ( -7.639 0.000 0.167) 7.641 7.917 ( 0.924 -0.000 0.029) 0.924 7.921 ( -0.278 0.000 0.112) 0.300 7.998 ( -0.209 0.000 -0.067) 0.219 8.748 ( -0.181 0.000 -0.047) 0.187 9.025 ( 2.401 -0.000 0.247) 2.414 9.126 ( -1.891 0.000 -0.717) 2.022 ======================= Grid point 345 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 3.557 -0.000 0.000) 3.557 1.461 ( -2.123 0.000 -0.000) 2.123 1.491 ( 9.753 -0.000 0.000) 9.753 1.585 ( 11.506 -0.000 0.000) 11.506 1.776 ( 0.677 -0.000 0.000) 0.677 1.834 ( -9.519 0.000 -0.000) 9.519 1.905 ( -2.917 0.000 -0.000) 2.917 1.941 ( -12.556 0.000 -0.000) 12.556 1.975 ( -2.524 0.000 -0.000) 2.524 2.875 ( 14.653 -0.000 0.000) 14.653 2.922 ( -0.284 0.000 -0.000) 0.284 3.065 ( -9.707 0.000 -0.000) 9.707 3.602 ( 1.432 -0.000 0.000) 1.432 3.770 ( 1.216 -0.000 0.000) 1.216 3.830 ( -3.615 0.000 -0.000) 3.615 4.575 ( 0.393 -0.000 0.000) 0.393 5.190 ( 7.130 -0.000 0.000) 7.130 5.337 ( -6.165 0.000 -0.000) 6.165 5.616 ( 0.482 -0.000 0.000) 0.482 5.963 ( 7.446 -0.000 0.000) 7.446 6.129 ( -7.664 0.000 -0.000) 7.664 7.917 ( 0.941 -0.000 0.000) 0.941 7.922 ( -0.267 0.000 -0.000) 0.267 7.998 ( -0.200 0.000 -0.000) 0.200 8.748 ( -0.178 0.000 -0.000) 0.178 9.027 ( 2.339 -0.000 0.000) 2.339 9.121 ( -1.873 0.000 -0.000) 1.873 ======================= Grid point 351 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.000 16.357 2.220) 16.507 1.103 ( 0.000 14.465 4.013) 15.012 1.323 ( 0.000 0.017 1.229) 1.229 1.620 ( -0.000 3.639 -0.075) 3.640 1.729 ( 0.000 -1.445 -5.999) 6.171 1.873 ( -0.000 1.161 0.201) 1.178 1.968 ( 0.000 5.176 1.219) 5.318 2.184 ( -0.000 -6.049 2.700) 6.624 2.299 ( 0.000 3.951 -2.837) 4.864 2.561 ( -0.000 -16.190 -1.104) 16.228 3.066 ( -0.000 -1.005 -0.698) 1.224 3.515 ( -0.000 -0.058 0.181) 0.190 3.599 ( 0.000 -11.657 -0.940) 11.695 3.739 ( -0.000 -4.292 0.068) 4.293 4.073 ( 0.000 1.722 0.126) 1.727 4.495 ( -0.000 0.173 -0.015) 0.174 4.833 ( -0.000 9.202 -0.095) 9.203 5.436 ( -0.000 3.047 0.101) 3.048 5.551 ( -0.000 -2.679 0.057) 2.679 5.670 ( 0.000 8.870 0.149) 8.871 6.467 ( -0.000 -8.835 -0.468) 8.848 7.803 ( 0.000 1.598 0.021) 1.598 7.878 ( -0.000 2.130 0.251) 2.144 8.038 ( 0.000 -0.966 0.250) 0.998 8.742 ( -0.000 -0.049 0.066) 0.082 8.928 ( -0.000 4.306 -0.411) 4.326 9.194 ( 0.000 -2.294 -0.188) 2.301 ======================= Grid point 352 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -3.039 17.546 0.315) 17.810 1.276 ( -1.863 12.000 2.848) 12.473 1.344 ( -1.111 0.959 2.265) 2.699 1.597 ( 3.087 -0.333 -2.995) 4.314 1.702 ( -1.750 0.005 -2.695) 3.213 1.867 ( -0.100 -4.604 0.634) 4.648 1.984 ( 1.066 -1.110 -1.028) 1.851 2.122 ( 1.946 -6.618 1.649) 7.093 2.370 ( 2.034 -14.480 -1.215) 14.672 2.411 ( -3.012 13.776 -0.708) 14.119 3.040 ( 1.426 -1.107 -0.519) 1.878 3.441 ( 3.537 -11.566 -0.582) 12.109 3.523 ( -0.617 0.286 0.094) 0.686 3.736 ( -3.663 -4.663 -0.092) 5.930 4.052 ( 4.427 1.425 0.117) 4.652 4.510 ( -1.518 0.262 -0.006) 1.541 4.937 ( -1.856 9.082 -0.049) 9.270 5.482 ( -2.046 2.505 0.094) 3.236 5.508 ( 1.481 -3.722 0.022) 4.006 5.764 ( -1.073 8.545 0.153) 8.614 6.365 ( 1.919 -8.462 -0.302) 8.683 7.827 ( -1.085 1.362 0.053) 1.742 7.903 ( -0.444 1.705 0.201) 1.773 8.028 ( 0.488 -0.610 0.104) 0.788 8.743 ( -0.097 -0.079 0.032) 0.129 8.969 ( -0.416 4.027 -0.448) 4.073 9.168 ( 0.108 -2.645 -0.250) 2.659 ======================= Grid point 353 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -5.288 14.474 0.397) 15.415 1.369 ( -1.519 4.090 1.856) 4.742 1.465 ( -3.802 6.588 1.837) 7.825 1.524 ( 1.629 0.790 -3.185) 3.664 1.716 ( -1.157 0.282 -1.276) 1.746 1.796 ( 2.645 -5.636 -0.255) 6.232 1.926 ( 2.305 -2.642 -0.462) 3.537 2.028 ( 2.518 -6.162 0.905) 6.718 2.162 ( 3.503 -14.865 -1.569) 15.353 2.646 ( -6.045 15.393 0.047) 16.537 2.993 ( 2.363 -1.372 -0.302) 2.749 3.271 ( 4.102 -10.066 -0.203) 10.871 3.547 ( -1.449 1.177 -0.008) 1.867 3.754 ( -3.729 -4.259 -0.118) 5.662 3.964 ( 7.221 0.629 0.076) 7.248 4.543 ( -1.766 0.486 0.004) 1.832 5.063 ( -3.519 7.855 -0.013) 8.607 5.432 ( 2.891 -4.625 0.015) 5.454 5.546 ( -2.793 1.910 0.082) 3.385 5.868 ( -2.178 7.401 0.114) 7.716 6.243 ( 3.274 -7.492 -0.115) 8.177 7.862 ( -1.603 1.142 0.084) 1.970 7.924 ( -0.553 0.669 0.107) 0.874 8.013 ( 0.830 -0.115 0.012) 0.838 8.744 ( -0.130 -0.099 -0.006) 0.163 9.010 ( -0.417 3.630 -0.356) 3.672 9.137 ( 0.089 -2.951 -0.214) 2.960 ======================= Grid point 354 (140/171) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.403 0.390 3.227) 3.276 1.448 ( 1.333 -0.000 -2.642) 2.960 1.599 ( -5.811 13.199 -0.367) 14.426 1.614 ( 0.349 1.293 -0.048) 1.340 1.702 ( -1.360 -0.492 0.249) 1.468 1.730 ( -1.098 -0.373 -1.016) 1.542 1.868 ( 1.582 -1.697 0.044) 2.320 1.952 ( 1.140 -7.749 1.710) 8.017 1.979 ( 1.536 -6.563 -2.121) 7.066 2.871 ( -6.155 9.800 0.036) 11.573 2.942 ( 1.745 -1.185 -0.205) 2.120 3.103 ( 6.405 -7.526 -0.086) 9.883 3.589 ( -1.735 1.509 -0.047) 2.300 3.773 ( -1.571 -0.807 -0.055) 1.767 3.851 ( 4.876 -1.856 0.020) 5.217 4.570 ( -0.764 0.451 0.008) 0.888 5.193 ( -3.366 6.608 -0.000) 7.416 5.331 ( 2.950 -5.476 0.018) 6.220 5.600 ( -1.647 1.161 0.075) 2.017 5.978 ( -2.674 6.374 0.056) 6.912 6.118 ( 3.184 -6.672 -0.003) 7.393 7.898 ( -1.236 1.161 0.058) 1.697 7.932 ( -0.209 -0.686 0.038) 0.718 8.001 ( 0.717 0.291 -0.018) 0.774 8.745 ( -0.155 -0.075 -0.017) 0.173 9.041 ( 0.640 2.819 -0.071) 2.892 9.111 ( -0.694 -2.650 -0.219) 2.748 ======================= Grid point 362 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 13.957 1.516) 14.039 1.153 ( 0.000 13.639 2.980) 13.961 1.334 ( 0.000 2.358 0.318) 2.379 1.621 ( -0.000 0.540 0.193) 0.573 1.658 ( 0.000 -1.034 -3.927) 4.061 1.874 ( -0.000 3.509 -0.041) 3.509 1.984 ( 0.000 1.269 1.002) 1.617 2.212 ( -0.000 -6.242 1.376) 6.392 2.265 ( 0.000 6.694 -1.843) 6.943 2.548 ( -0.000 -16.710 -0.707) 16.725 3.058 ( -0.000 -1.025 -0.433) 1.112 3.517 ( -0.000 0.009 0.112) 0.112 3.588 ( 0.000 -11.895 -0.565) 11.909 3.740 ( -0.000 -4.293 0.042) 4.293 4.075 ( 0.000 1.745 0.081) 1.747 4.495 ( -0.000 0.179 -0.009) 0.179 4.832 ( -0.000 9.257 -0.072) 9.257 5.438 ( -0.000 3.058 0.062) 3.059 5.551 ( -0.000 -2.708 0.036) 2.708 5.672 ( 0.000 8.938 0.086) 8.938 6.462 ( -0.000 -8.753 -0.286) 8.757 7.803 ( 0.000 1.609 0.013) 1.609 7.881 ( -0.000 2.167 0.150) 2.172 8.041 ( 0.000 -1.115 0.151) 1.125 8.743 ( -0.000 -0.064 0.041) 0.076 8.923 ( -0.000 4.175 -0.253) 4.183 9.192 ( 0.000 -2.490 -0.116) 2.493 ======================= Grid point 363 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -2.619 16.681 0.097) 16.886 1.308 ( -1.614 11.486 1.404) 11.684 1.367 ( -1.495 1.988 0.927) 2.654 1.563 ( 3.594 -0.815 -1.495) 3.977 1.675 ( -2.615 -0.358 -1.022) 2.831 1.874 ( 0.166 -4.480 0.323) 4.495 1.973 ( 1.217 -1.645 -0.439) 2.093 2.137 ( 2.157 -6.778 0.560) 7.135 2.359 ( 2.279 -16.835 -0.455) 16.994 2.404 ( -3.491 16.435 -0.277) 16.804 3.035 ( 1.339 -1.117 -0.199) 1.755 3.435 ( 3.271 -11.742 -0.227) 12.191 3.524 ( -0.547 0.359 0.041) 0.656 3.735 ( -3.547 -4.604 -0.032) 5.812 4.054 ( 4.439 1.445 0.046) 4.668 4.510 ( -1.522 0.264 -0.002) 1.545 4.936 ( -1.849 9.139 -0.021) 9.324 5.483 ( -2.063 2.537 0.037) 3.270 5.508 ( 1.500 -3.765 0.005) 4.053 5.766 ( -1.073 8.562 0.058) 8.629 6.362 ( 1.892 -8.380 -0.115) 8.592 7.828 ( -1.118 1.366 0.020) 1.765 7.905 ( -0.413 1.721 0.076) 1.771 8.029 ( 0.502 -0.689 0.040) 0.854 8.743 ( -0.080 -0.087 0.012) 0.119 8.964 ( -0.406 3.947 -0.171) 3.971 9.165 ( 0.066 -2.768 -0.095) 2.771 ======================= Grid point 364 (143/171) ======================= q-point: ( 0.90 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -5.911 16.655 0.000) 17.673 1.390 ( -1.256 2.181 0.000) 2.517 1.484 ( -5.057 7.789 0.000) 9.287 1.492 ( 3.408 -0.782 -0.000) 3.496 1.705 ( -1.624 0.182 0.000) 1.634 1.795 ( 3.118 -5.779 -0.000) 6.566 1.923 ( 2.159 -2.327 -0.000) 3.174 2.035 ( 2.536 -5.923 -0.000) 6.443 2.150 ( 3.531 -15.458 -0.000) 15.856 2.646 ( -6.128 15.334 0.000) 16.513 2.991 ( 2.356 -1.364 -0.000) 2.723 3.270 ( 4.013 -10.067 -0.000) 10.838 3.547 ( -1.411 1.162 0.000) 1.828 3.753 ( -3.701 -4.227 -0.000) 5.618 3.965 ( 7.239 0.646 0.000) 7.268 4.543 ( -1.769 0.488 0.000) 1.835 5.063 ( -3.508 7.887 0.000) 8.632 5.432 ( 2.878 -4.646 -0.000) 5.465 5.547 ( -2.809 1.920 0.000) 3.402 5.869 ( -2.177 7.402 0.000) 7.715 6.243 ( 3.251 -7.449 -0.000) 8.128 7.863 ( -1.623 1.140 0.000) 1.983 7.925 ( -0.530 0.676 0.000) 0.859 8.013 ( 0.841 -0.136 -0.000) 0.852 8.744 ( -0.118 -0.102 -0.000) 0.156 9.007 ( -0.443 3.611 0.000) 3.638 9.136 ( 0.081 -3.006 -0.000) 3.007 ======================= Grid point 374 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -0.000 12.932 0.000) 12.932 1.176 ( -0.000 13.376 0.000) 13.376 1.335 ( -0.000 3.483 0.000) 3.483 1.623 ( 0.000 -0.741 0.000) 0.741 1.629 ( 0.000 -0.930 0.000) 0.930 1.873 ( -0.000 4.337 0.000) 4.337 1.992 ( 0.000 -0.389 0.000) 0.389 2.222 ( 0.000 -6.308 0.000) 6.308 2.252 ( -0.000 7.973 0.000) 7.973 2.543 ( 0.000 -16.910 0.000) 16.910 3.055 ( 0.000 -1.033 0.000) 1.033 3.518 ( -0.000 0.034 0.000) 0.034 3.584 ( 0.000 -11.988 0.000) 11.988 3.740 ( 0.000 -4.293 0.000) 4.293 4.075 ( -0.000 1.754 0.000) 1.754 4.495 ( -0.000 0.181 0.000) 0.181 4.832 ( -0.000 9.283 0.000) 9.283 5.438 ( -0.000 3.062 0.000) 3.062 5.552 ( 0.000 -2.723 0.000) 2.723 5.672 ( -0.000 8.967 0.000) 8.967 6.460 ( 0.000 -8.723 0.000) 8.723 7.804 ( -0.000 1.613 0.000) 1.613 7.882 ( -0.000 2.181 0.000) 2.181 8.042 ( 0.000 -1.169 0.000) 1.169 8.743 ( 0.000 -0.069 0.000) 0.069 8.921 ( -0.000 4.124 0.000) 4.124 9.191 ( 0.000 -2.565 0.000) 2.565 ======================= Grid point 392 (145/171) ======================= q-point: ( 0.40 0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -2.125 -0.000 -1.220) 2.450 1.512 ( 2.173 -0.000 0.928) 2.363 1.573 ( 8.156 0.000 2.130) 8.430 1.654 ( 12.630 -0.000 0.886) 12.661 1.672 ( 0.364 -0.000 -2.239) 2.268 1.846 ( -6.504 -0.000 0.043) 6.504 1.893 ( -3.995 0.000 -0.091) 3.996 1.973 ( 2.221 0.000 -0.224) 2.232 1.993 ( -13.157 0.000 0.681) 13.174 2.898 ( 12.357 0.000 0.594) 12.371 2.972 ( -1.026 -0.000 0.518) 1.149 3.072 ( -9.684 -0.000 0.096) 9.684 3.604 ( 1.945 0.000 0.018) 1.945 3.766 ( 1.054 -0.000 -0.062) 1.056 3.843 ( -3.874 -0.000 0.194) 3.879 4.573 ( 0.418 -0.000 -0.025) 0.419 5.184 ( 7.407 -0.000 -0.083) 7.408 5.336 ( -6.212 0.000 -0.012) 6.212 5.602 ( 0.650 0.000 -0.205) 0.682 5.962 ( 7.476 -0.000 -0.017) 7.476 6.118 ( -7.429 0.000 -0.166) 7.431 7.915 ( -0.368 -0.000 -0.113) 0.385 7.915 ( 0.781 0.000 -0.027) 0.782 8.002 ( -0.287 0.000 0.068) 0.295 8.751 ( -0.209 -0.000 0.045) 0.214 9.010 ( 2.934 0.000 -0.246) 2.944 9.169 ( -2.037 -0.000 0.708) 2.157 ======================= Grid point 403 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -1.722 0.112 -0.856) 1.927 1.527 ( -0.608 4.145 0.239) 4.196 1.632 ( -4.082 4.824 0.138) 6.320 1.644 ( -1.980 -0.060 0.357) 2.013 1.712 ( 0.978 8.126 0.232) 8.188 1.816 ( 4.068 -0.763 0.449) 4.163 1.876 ( -0.775 -4.648 0.306) 4.722 1.893 ( -1.074 -6.218 -0.448) 6.326 2.073 ( 5.960 -6.430 0.446) 8.779 2.869 ( -5.942 11.055 0.011) 12.551 2.973 ( 0.725 -1.185 0.261) 1.414 3.111 ( 5.712 -8.133 0.031) 9.939 3.595 ( -1.705 1.759 0.042) 2.450 3.780 ( -0.847 -0.413 0.047) 0.944 3.849 ( 3.888 -2.593 -0.009) 4.674 4.568 ( -0.727 0.427 -0.008) 0.843 5.193 ( -3.472 6.335 0.001) 7.224 5.329 ( 3.222 -5.266 -0.024) 6.173 5.590 ( -1.392 1.096 -0.078) 1.773 5.970 ( -2.793 6.384 -0.058) 6.968 6.119 ( 3.572 -6.930 0.004) 7.796 7.890 ( -1.209 1.168 -0.057) 1.682 7.927 ( -0.333 -0.700 -0.036) 0.776 8.003 ( 0.577 0.360 0.019) 0.681 8.748 ( -0.236 -0.055 0.016) 0.243 9.045 ( 1.938 1.675 0.001) 2.562 9.146 ( -1.544 -1.160 0.287) 1.953 ======================= Grid point 404 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -2.394 -0.000 0.000) 2.394 1.519 ( 2.304 -0.000 -0.000) 2.304 1.592 ( 8.730 -0.000 -0.000) 8.730 1.653 ( -0.164 -0.000 0.000) 0.164 1.660 ( 12.671 0.000 -0.000) 12.671 1.847 ( -6.509 -0.000 0.000) 6.509 1.893 ( -3.904 -0.000 0.000) 3.904 1.971 ( 2.559 0.000 -0.000) 2.559 1.998 ( -13.143 -0.000 0.000) 13.143 2.902 ( 12.534 -0.000 -0.000) 12.534 2.976 ( -1.501 -0.000 0.000) 1.501 3.072 ( -9.682 -0.000 0.000) 9.682 3.604 ( 1.998 -0.000 -0.000) 1.998 3.765 ( 1.037 -0.000 -0.000) 1.037 3.845 ( -3.901 -0.000 0.000) 3.901 4.573 ( 0.421 -0.000 -0.000) 0.421 5.184 ( 7.436 0.000 -0.000) 7.436 5.335 ( -6.217 -0.000 0.000) 6.217 5.601 ( 0.668 -0.000 -0.000) 0.668 5.962 ( 7.479 -0.000 -0.000) 7.479 6.116 ( -7.405 -0.000 0.000) 7.405 7.914 ( -0.378 0.000 0.000) 0.378 7.915 ( 0.765 -0.000 -0.000) 0.765 8.003 ( -0.297 -0.000 0.000) 0.297 8.751 ( -0.213 -0.000 0.000) 0.213 9.009 ( 2.997 -0.000 -0.000) 2.997 9.174 ( -2.054 -0.000 0.000) 2.054 ======================= Grid point 414 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -1.684 0.970 0.000) 1.943 1.385 ( -4.986 11.727 0.000) 12.743 1.409 ( -6.150 15.931 0.000) 17.077 1.664 ( 2.006 -1.242 -0.000) 2.360 1.726 ( 2.902 -0.311 -0.000) 2.918 1.877 ( -0.807 -5.920 -0.000) 5.975 1.948 ( 1.039 -3.786 -0.000) 3.926 1.962 ( 3.856 -4.592 -0.000) 5.996 2.253 ( 3.964 -12.328 -0.000) 12.949 2.642 ( -5.285 15.987 0.000) 16.837 3.014 ( 2.312 -1.388 -0.000) 2.697 3.284 ( 4.908 -10.065 -0.000) 11.198 3.548 ( -1.740 1.316 0.000) 2.182 3.763 ( -3.961 -4.580 -0.000) 6.055 3.960 ( 7.047 0.465 0.000) 7.063 4.543 ( -1.737 0.465 0.000) 1.798 5.064 ( -3.626 7.579 0.000) 8.402 5.430 ( 3.007 -4.461 -0.000) 5.380 5.540 ( -2.653 1.836 0.000) 3.226 5.860 ( -2.195 7.397 0.000) 7.715 6.251 ( 3.496 -7.902 -0.000) 8.641 7.857 ( -1.415 1.174 0.000) 1.839 7.917 ( -0.772 0.615 0.000) 0.987 8.013 ( 0.726 0.083 0.000) 0.730 8.744 ( -0.234 -0.070 -0.000) 0.245 9.033 ( -0.031 3.680 0.000) 3.680 9.153 ( 0.026 -2.309 -0.000) 2.310 ======================= Grid point 424 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -0.000 6.247 0.000) 6.247 1.307 ( -0.000 15.193 0.000) 15.193 1.321 ( -0.000 12.715 0.000) 12.715 1.712 ( -0.000 1.614 0.000) 1.614 1.797 ( 0.000 -2.277 -0.000) 2.277 1.844 ( 0.000 -10.229 -0.000) 10.229 1.971 ( 0.000 -0.279 -0.000) 0.279 2.023 ( 0.000 -2.581 -0.000) 2.581 2.289 ( 0.000 -16.122 -0.000) 16.122 2.563 ( -0.000 16.956 0.000) 16.956 3.073 ( 0.000 -0.494 -0.000) 0.494 3.389 ( 0.000 -13.502 -0.000) 13.502 3.509 ( -0.000 0.140 0.000) 0.140 3.666 ( 0.000 -2.908 -0.000) 2.908 4.097 ( -0.000 1.102 0.000) 1.102 4.498 ( -0.000 0.067 0.000) 0.067 5.005 ( -0.000 7.851 0.000) 7.851 5.480 ( -0.000 1.743 0.000) 1.743 5.483 ( 0.000 -3.832 -0.000) 3.832 5.830 ( -0.000 8.011 0.000) 8.011 6.311 ( 0.000 -8.223 -0.000) 8.223 7.828 ( -0.000 0.962 0.000) 0.962 7.904 ( -0.000 1.267 0.000) 1.267 8.025 ( 0.000 -0.021 -0.000) 0.021 8.740 ( 0.000 -0.019 -0.000) 0.019 9.025 ( -0.000 4.119 0.000) 4.119 9.160 ( 0.000 -2.425 -0.000) 2.425 ======================= Grid point 425 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.726 0.508 1.049) 1.373 1.455 ( -1.421 12.314 0.208) 12.397 1.477 ( -2.704 12.304 -0.360) 12.603 1.675 ( 3.008 -4.386 -0.786) 5.376 1.768 ( 1.569 0.398 -0.051) 1.620 1.787 ( -2.874 -4.723 -0.584) 5.559 1.948 ( 2.394 -2.310 0.458) 3.358 1.978 ( 2.161 -2.587 -0.137) 3.374 2.155 ( -0.713 -11.113 -0.721) 11.159 2.733 ( -1.863 13.692 -0.074) 13.818 3.048 ( 2.316 -0.365 -0.204) 2.354 3.243 ( 2.384 -10.489 -0.272) 10.760 3.526 ( -1.698 0.391 0.051) 1.743 3.667 ( -2.688 -2.249 0.003) 3.505 4.067 ( 4.619 0.546 0.049) 4.651 4.514 ( -1.742 0.088 -0.001) 1.745 5.082 ( -1.757 5.012 0.027) 5.311 5.434 ( 1.880 -3.009 -0.006) 3.548 5.511 ( -2.122 0.905 0.042) 2.307 5.903 ( -0.749 5.653 0.059) 5.702 6.227 ( 1.852 -5.791 -0.058) 6.080 7.844 ( -1.039 0.540 0.021) 1.171 7.915 ( -0.257 0.530 0.079) 0.594 8.023 ( 0.380 0.084 0.006) 0.389 8.741 ( -0.132 -0.020 0.008) 0.133 9.065 ( -0.332 3.590 -0.214) 3.611 9.131 ( 0.351 -2.765 -0.160) 2.792 ======================= Grid point 426 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -1.132 -0.000 1.927) 2.234 1.576 ( -3.679 0.000 -0.262) 3.688 1.577 ( 2.492 -0.000 -0.994) 2.683 1.597 ( -4.204 0.000 -0.143) 4.207 1.762 ( 0.066 0.000 -0.423) 0.428 1.803 ( -2.069 0.000 -1.260) 2.422 1.875 ( 3.511 -0.000 0.545) 3.553 1.907 ( 4.539 -0.000 0.001) 4.539 2.092 ( 1.597 -0.000 -1.477) 2.175 2.850 ( -3.862 0.000 -0.130) 3.864 2.998 ( 2.865 -0.000 -0.335) 2.885 3.139 ( 3.466 -0.000 -0.118) 3.468 3.566 ( -2.570 0.000 -0.059) 2.571 3.708 ( -3.832 0.000 -0.047) 3.832 3.966 ( 7.704 -0.000 0.091) 7.704 4.547 ( -1.957 0.000 0.006) 1.957 5.155 ( -3.954 0.000 0.054) 3.954 5.370 ( 3.892 -0.000 -0.021) 3.892 5.559 ( -2.777 0.000 0.098) 2.779 5.958 ( -2.321 0.000 0.110) 2.323 6.149 ( 3.833 -0.000 -0.048) 3.833 7.870 ( -1.695 0.000 0.076) 1.697 7.922 ( -0.172 0.000 0.113) 0.206 8.015 ( 0.609 -0.000 -0.012) 0.609 8.744 ( -0.201 0.000 -0.008) 0.201 9.087 ( 1.684 -0.000 -0.112) 1.687 9.107 ( -1.542 0.000 -0.558) 1.640 ======================= Grid point 436 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.000 6.922 1.797) 7.151 1.314 ( -0.000 14.827 1.007) 14.862 1.318 ( -0.000 11.834 -0.297) 11.838 1.705 ( 0.000 1.527 -1.092) 1.877 1.800 ( -0.000 -2.475 0.471) 2.519 1.814 ( 0.000 -7.829 -3.662) 8.643 1.994 ( -0.000 -2.442 2.609) 3.574 2.018 ( 0.000 -2.515 -0.698) 2.610 2.281 ( 0.000 -16.257 -1.106) 16.295 2.561 ( -0.000 17.061 -0.235) 17.062 3.070 ( 0.000 -0.500 -0.448) 0.671 3.383 ( 0.000 -13.516 -0.740) 13.537 3.510 ( -0.000 0.165 0.185) 0.248 3.666 ( 0.000 -2.905 0.047) 2.906 4.098 ( -0.000 1.106 0.086) 1.110 4.498 ( -0.000 0.068 -0.006) 0.068 5.005 ( -0.000 7.881 0.019) 7.881 5.480 ( -0.000 1.747 0.076) 1.749 5.483 ( 0.000 -3.848 0.017) 3.848 5.831 ( -0.000 8.008 0.117) 8.009 6.310 ( 0.000 -8.179 -0.179) 8.181 7.828 ( -0.000 0.964 0.022) 0.964 7.905 ( -0.000 1.260 0.174) 1.272 8.026 ( -0.000 -0.045 0.037) 0.059 8.740 ( -0.000 -0.022 0.029) 0.036 9.023 ( -0.000 4.084 -0.372) 4.101 9.158 ( 0.000 -2.470 -0.283) 2.486 ======================= Grid point 437 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -0.671 0.510 2.844) 2.966 1.460 ( -1.413 11.478 0.403) 11.572 1.468 ( -2.610 12.454 -0.750) 12.747 1.655 ( 3.049 -3.786 -2.051) 5.277 1.759 ( -1.254 -1.129 -1.569) 2.304 1.779 ( -0.237 -2.578 -0.089) 2.591 1.957 ( 2.718 -2.964 0.491) 4.051 1.977 ( 1.928 -2.752 0.157) 3.364 2.136 ( -0.572 -11.296 -1.903) 11.470 2.731 ( -1.935 13.636 -0.200) 13.774 3.043 ( 2.227 -0.371 -0.535) 2.320 3.236 ( 2.060 -10.517 -0.723) 10.741 3.527 ( -1.553 0.411 0.141) 1.612 3.667 ( -2.624 -2.206 0.009) 3.428 4.068 ( 4.617 0.552 0.131) 4.651 4.514 ( -1.747 0.088 -0.003) 1.750 5.083 ( -1.744 5.065 0.072) 5.357 5.434 ( 1.883 -3.044 -0.019) 3.579 5.512 ( -2.122 0.910 0.109) 2.312 5.905 ( -0.751 5.641 0.152) 5.693 6.226 ( 1.823 -5.736 -0.153) 6.021 7.844 ( -1.065 0.539 0.055) 1.195 7.917 ( -0.234 0.521 0.205) 0.607 8.023 ( 0.390 0.068 0.014) 0.396 8.741 ( -0.116 -0.023 0.022) 0.120 9.059 ( -0.354 3.531 -0.566) 3.594 9.127 ( 0.333 -2.786 -0.414) 2.836 ======================= Grid point 438 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -0.972 -0.000 3.374) 3.512 1.558 ( 2.511 -0.000 -1.708) 3.037 1.571 ( -3.915 0.000 -0.348) 3.930 1.593 ( -4.507 0.000 -0.356) 4.521 1.754 ( 1.053 -0.000 -0.675) 1.251 1.779 ( -1.865 0.000 -2.073) 2.789 1.885 ( 3.312 -0.000 0.839) 3.416 1.907 ( 4.038 -0.000 0.036) 4.038 2.064 ( 1.418 0.000 -2.538) 2.908 2.848 ( -3.898 0.000 -0.214) 3.904 2.992 ( 2.909 -0.000 -0.513) 2.953 3.137 ( 3.086 -0.000 -0.213) 3.093 3.565 ( -2.439 0.000 -0.089) 2.441 3.707 ( -3.743 0.000 -0.075) 3.743 3.967 ( 7.720 -0.000 0.151) 7.721 4.547 ( -1.968 0.000 0.010) 1.969 5.156 ( -3.927 0.000 0.090) 3.928 5.370 ( 3.869 -0.000 -0.044) 3.869 5.561 ( -2.820 0.000 0.157) 2.825 5.960 ( -2.327 0.000 0.178) 2.334 6.148 ( 3.778 -0.000 -0.077) 3.779 7.871 ( -1.740 0.000 0.123) 1.744 7.924 ( -0.126 0.000 0.183) 0.222 8.015 ( 0.635 -0.000 -0.019) 0.635 8.743 ( -0.172 0.000 -0.014) 0.172 9.085 ( 1.483 -0.000 -0.180) 1.494 9.097 ( -1.442 0.000 -0.905) 1.703 ======================= Grid point 448 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 9.815 2.502) 10.129 1.315 ( -0.000 8.461 0.028) 8.461 1.334 ( 0.000 13.812 1.869) 13.938 1.683 ( -0.000 1.224 -1.948) 2.301 1.755 ( 0.000 -4.986 -4.608) 6.789 1.809 ( -0.000 -3.000 0.768) 3.097 2.005 ( 0.000 -2.314 -1.156) 2.587 2.032 ( -0.000 -4.609 2.661) 5.322 2.260 ( -0.000 -16.595 -1.784) 16.690 2.557 ( 0.000 17.326 -0.395) 17.330 3.061 ( -0.000 -0.515 -0.726) 0.890 3.370 ( 0.000 -13.564 -1.187) 13.616 3.513 ( -0.000 0.231 0.299) 0.377 3.667 ( -0.000 -2.899 0.077) 2.900 4.100 ( 0.000 1.117 0.146) 1.127 4.498 ( -0.000 0.069 -0.009) 0.070 5.006 ( -0.000 7.962 0.029) 7.962 5.482 ( -0.000 1.758 0.123) 1.763 5.484 ( -0.000 -3.891 0.018) 3.891 5.833 ( 0.000 7.999 0.187) 8.001 6.307 ( 0.000 -8.064 -0.289) 8.069 7.828 ( 0.000 0.969 0.035) 0.970 7.908 ( -0.000 1.245 0.278) 1.276 8.026 ( -0.000 -0.109 0.061) 0.125 8.741 ( -0.000 -0.030 0.047) 0.056 9.016 ( -0.000 3.990 -0.602) 4.035 9.152 ( 0.000 -2.585 -0.458) 2.625 ======================= Grid point 449 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -0.621 0.557 3.847) 3.937 1.450 ( -2.548 12.464 -1.215) 12.780 1.473 ( -1.303 10.140 0.957) 10.268 1.621 ( 3.053 -2.698 -2.713) 4.894 1.729 ( -2.619 -1.270 -2.495) 3.834 1.781 ( 0.935 -2.067 0.259) 2.283 1.956 ( 2.462 -1.922 -0.488) 3.162 1.987 ( 2.199 -4.458 1.117) 5.095 2.105 ( -0.237 -11.566 -2.419) 11.819 2.728 ( -2.054 13.557 -0.258) 13.714 3.034 ( 2.078 -0.379 -0.660) 2.213 3.224 ( 1.543 -10.566 -0.911) 10.717 3.530 ( -1.325 0.440 0.189) 1.409 3.667 ( -2.523 -2.143 0.014) 3.310 4.070 ( 4.615 0.562 0.169) 4.652 4.514 ( -1.755 0.089 -0.004) 1.758 5.084 ( -1.724 5.153 0.090) 5.434 5.434 ( 1.886 -3.103 -0.033) 3.632 5.514 ( -2.122 0.919 0.131) 2.316 5.907 ( -0.755 5.622 0.186) 5.676 6.223 ( 1.777 -5.647 -0.188) 5.923 7.845 ( -1.107 0.538 0.069) 1.233 7.921 ( -0.198 0.507 0.253) 0.600 8.023 ( 0.406 0.043 0.018) 0.408 8.741 ( -0.090 -0.027 0.026) 0.098 9.050 ( -0.379 3.426 -0.711) 3.519 9.121 ( 0.292 -2.808 -0.503) 2.868 ======================= Grid point 450 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -0.820 -0.000 3.998) 4.082 1.531 ( 2.594 -0.000 -2.066) 3.316 1.567 ( -4.497 0.000 -0.264) 4.505 1.587 ( -4.606 0.000 -0.499) 4.633 1.744 ( 2.220 -0.000 -0.663) 2.317 1.748 ( -1.780 0.000 -2.296) 2.906 1.898 ( 3.084 -0.000 1.098) 3.274 1.908 ( 3.481 -0.000 0.076) 3.481 2.025 ( 1.338 0.000 -2.926) 3.217 2.845 ( -3.944 0.000 -0.219) 3.950 2.985 ( 2.900 -0.000 -0.483) 2.940 3.133 ( 2.637 -0.000 -0.235) 2.648 3.564 ( -2.263 0.000 -0.081) 2.265 3.706 ( -3.633 0.000 -0.074) 3.634 3.970 ( 7.743 -0.000 0.155) 7.745 4.548 ( -1.983 0.000 0.011) 1.983 5.157 ( -3.896 0.000 0.094) 3.897 5.369 ( 3.841 -0.000 -0.056) 3.841 5.563 ( -2.874 0.000 0.154) 2.878 5.962 ( -2.337 0.000 0.177) 2.343 6.147 ( 3.711 -0.000 -0.077) 3.712 7.873 ( -1.795 0.000 0.124) 1.800 7.927 ( -0.070 -0.000 0.184) 0.197 8.014 ( 0.667 -0.000 -0.020) 0.667 8.743 ( -0.135 0.000 -0.016) 0.136 9.083 ( 1.235 -0.000 -0.178) 1.247 9.084 ( -1.318 0.000 -0.908) 1.601 ======================= Grid point 460 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.000 15.384 1.138) 15.426 1.326 ( 0.000 2.474 1.659) 2.979 1.364 ( 0.000 12.404 2.370) 12.629 1.653 ( -0.000 0.650 -2.303) 2.393 1.691 ( 0.000 -2.779 -4.421) 5.222 1.820 ( -0.000 -3.697 0.788) 3.780 1.988 ( 0.000 -1.995 -1.208) 2.332 2.064 ( -0.000 -5.827 1.970) 6.151 2.235 ( -0.000 -16.968 -1.775) 17.061 2.551 ( 0.000 17.637 -0.414) 17.642 3.051 ( -0.000 -0.533 -0.729) 0.903 3.353 ( 0.000 -13.642 -1.175) 13.692 3.518 ( -0.000 0.312 0.297) 0.431 3.668 ( -0.000 -2.891 0.078) 2.892 4.102 ( 0.000 1.132 0.154) 1.142 4.497 ( -0.000 0.071 -0.009) 0.071 5.006 ( -0.000 8.071 0.025) 8.071 5.484 ( -0.000 1.772 0.121) 1.776 5.484 ( -0.000 -3.945 0.008) 3.945 5.836 ( 0.000 7.989 0.185) 7.991 6.303 ( 0.000 -7.923 -0.288) 7.928 7.829 ( 0.000 0.976 0.035) 0.977 7.912 ( -0.000 1.231 0.274) 1.261 8.027 ( -0.000 -0.190 0.061) 0.199 8.741 ( -0.000 -0.040 0.047) 0.062 9.007 ( -0.000 3.871 -0.603) 3.918 9.146 ( 0.000 -2.727 -0.457) 2.765 ======================= Grid point 461 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.663 0.674 3.707) 3.825 1.434 ( -2.551 12.730 -1.040) 13.025 1.488 ( -1.128 8.126 1.152) 8.284 1.583 ( 3.110 -1.395 -2.727) 4.365 1.695 ( -2.953 -0.705 -2.351) 3.840 1.785 ( 1.134 -2.582 0.192) 2.827 1.948 ( 2.049 -1.066 -0.523) 2.368 2.003 ( 2.338 -5.502 1.124) 6.083 2.072 ( 0.362 -11.857 -2.161) 12.058 2.724 ( -2.177 13.490 -0.218) 13.667 3.026 ( 1.924 -0.386 -0.533) 2.033 3.212 ( 1.032 -10.622 -0.749) 10.699 3.532 ( -1.106 0.467 0.164) 1.212 3.668 ( -2.425 -2.085 0.013) 3.198 4.072 ( 4.616 0.573 0.143) 4.653 4.514 ( -1.764 0.090 -0.003) 1.766 5.085 ( -1.704 5.245 0.073) 5.516 5.433 ( 1.888 -3.167 -0.035) 3.687 5.516 ( -2.122 0.929 0.104) 2.319 5.910 ( -0.760 5.604 0.149) 5.657 6.221 ( 1.732 -5.558 -0.152) 5.823 7.846 ( -1.150 0.537 0.055) 1.270 7.924 ( -0.162 0.494 0.204) 0.559 8.023 ( 0.422 0.017 0.014) 0.422 8.742 ( -0.064 -0.032 0.021) 0.074 9.041 ( -0.389 3.309 -0.583) 3.382 9.114 ( 0.236 -2.821 -0.400) 2.859 ======================= Grid point 462 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -0.901 -0.000 3.434) 3.550 1.502 ( 2.880 -0.000 -2.041) 3.530 1.564 ( -5.442 0.000 -0.100) 5.443 1.580 ( -4.210 0.000 -0.400) 4.229 1.720 ( -1.760 0.000 -1.612) 2.387 1.736 ( 3.108 -0.000 -0.404) 3.134 1.909 ( 3.079 -0.000 0.066) 3.080 1.915 ( 2.705 -0.000 1.356) 3.026 1.986 ( 1.507 -0.000 -2.533) 2.947 2.842 ( -3.980 0.000 -0.138) 3.982 2.979 ( 2.850 -0.000 -0.285) 2.864 3.130 ( 2.287 -0.000 -0.155) 2.292 3.563 ( -2.110 0.000 -0.046) 2.110 3.705 ( -3.544 0.000 -0.045) 3.544 3.971 ( 7.765 -0.000 0.098) 7.765 4.548 ( -1.995 0.000 0.007) 1.995 5.158 ( -3.871 0.000 0.060) 3.871 5.368 ( 3.818 -0.000 -0.041) 3.818 5.565 ( -2.917 0.000 0.094) 2.919 5.964 ( -2.345 0.000 0.109) 2.348 6.146 ( 3.658 -0.000 -0.048) 3.658 7.875 ( -1.840 0.000 0.077) 1.842 7.929 ( -0.026 -0.000 0.114) 0.117 8.014 ( 0.693 -0.000 -0.012) 0.693 8.743 ( -0.105 0.000 -0.010) 0.106 9.073 ( -1.217 0.000 -0.563) 1.341 9.081 ( 1.034 -0.000 -0.109) 1.039 ======================= Grid point 464 (161/171) ======================= q-point: ( 1.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -1.410 0.000 -0.000) 1.410 1.484 ( 3.471 -0.000 0.000) 3.471 1.564 ( -6.098 0.000 -0.000) 6.098 1.577 ( -3.761 0.000 -0.000) 3.761 1.708 ( -1.759 0.000 -0.000) 1.759 1.734 ( 3.431 -0.000 0.000) 3.431 1.910 ( 2.937 -0.000 0.000) 2.937 1.929 ( 2.388 -0.000 0.000) 2.388 1.964 ( 1.749 -0.000 0.000) 1.749 2.841 ( -3.993 0.000 -0.000) 3.993 2.977 ( 2.821 -0.000 0.000) 2.821 3.129 ( 2.155 -0.000 0.000) 2.155 3.563 ( -2.048 0.000 -0.000) 2.048 3.705 ( -3.510 0.000 -0.000) 3.510 3.972 ( 7.773 -0.000 0.000) 7.773 4.548 ( -1.999 0.000 -0.000) 1.999 5.159 ( -3.862 0.000 -0.000) 3.862 5.368 ( 3.809 -0.000 0.000) 3.809 5.565 ( -2.934 0.000 -0.000) 2.934 5.965 ( -2.349 0.000 -0.000) 2.349 6.146 ( 3.637 -0.000 0.000) 3.637 7.875 ( -1.858 0.000 -0.000) 1.858 7.930 ( -0.009 0.000 -0.000) 0.009 8.014 ( 0.703 -0.000 0.000) 0.703 8.743 ( -0.093 0.000 -0.000) 0.093 9.069 ( -1.179 0.000 -0.000) 1.179 9.080 ( 0.957 -0.000 0.000) 0.957 ======================= Grid point 475 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.000 17.104 0.020) 17.104 1.355 ( 0.000 0.708 1.998) 2.120 1.396 ( 0.000 11.091 2.000) 11.270 1.623 ( -0.000 -0.126 -1.752) 1.756 1.638 ( 0.000 -1.175 -3.086) 3.302 1.830 ( -0.000 -4.337 0.508) 4.366 1.973 ( 0.000 -1.664 -0.789) 1.842 2.085 ( -0.000 -6.454 1.033) 6.536 2.214 ( -0.000 -17.221 -1.089) 17.255 2.546 ( 0.000 17.876 -0.265) 17.878 3.042 ( -0.000 -0.548 -0.452) 0.710 3.339 ( 0.000 -13.717 -0.720) 13.736 3.521 ( -0.000 0.378 0.183) 0.420 3.669 ( -0.000 -2.885 0.049) 2.885 4.104 ( 0.000 1.144 0.100) 1.148 4.497 ( -0.000 0.072 -0.006) 0.072 5.006 ( -0.000 8.165 0.013) 8.166 5.484 ( -0.000 -3.991 -0.000) 3.991 5.485 ( -0.000 1.783 0.075) 1.784 5.838 ( 0.000 7.981 0.113) 7.982 6.299 ( 0.000 -7.810 -0.178) 7.812 7.829 ( 0.000 0.982 0.021) 0.982 7.915 ( -0.000 1.224 0.167) 1.235 8.028 ( -0.000 -0.255 0.038) 0.258 8.742 ( -0.000 -0.048 0.029) 0.056 9.000 ( -0.000 3.773 -0.373) 3.791 9.140 ( 0.000 -2.841 -0.282) 2.855 ======================= Grid point 476 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -0.834 0.676 1.796) 2.092 1.423 ( -2.561 13.048 -0.445) 13.305 1.503 ( -1.241 6.503 0.788) 6.667 1.551 ( 3.534 -0.468 -1.568) 3.894 1.670 ( -3.119 -0.232 -1.043) 3.297 1.787 ( 1.211 -2.998 0.065) 3.234 1.943 ( 1.763 -0.631 -0.214) 1.884 2.017 ( 2.035 -5.162 0.779) 5.603 2.048 ( 1.139 -12.782 -1.180) 12.887 2.722 ( -2.254 13.455 -0.085) 13.643 3.020 ( 1.826 -0.389 -0.204) 1.878 3.204 ( 0.721 -10.661 -0.289) 10.689 3.534 ( -0.976 0.482 0.065) 1.091 3.668 ( -2.365 -2.052 0.006) 3.131 4.074 ( 4.617 0.580 0.056) 4.653 4.514 ( -1.769 0.090 -0.001) 1.771 5.086 ( -1.692 5.305 0.028) 5.568 5.433 ( 1.890 -3.208 -0.015) 3.723 5.517 ( -2.121 0.936 0.039) 2.319 5.911 ( -0.763 5.592 0.057) 5.644 6.219 ( 1.704 -5.502 -0.058) 5.760 7.846 ( -1.176 0.537 0.021) 1.293 7.926 ( -0.141 0.487 0.078) 0.513 8.023 ( 0.431 0.000 0.005) 0.432 8.742 ( -0.047 -0.035 0.008) 0.059 9.035 ( -0.389 3.232 -0.224) 3.263 9.110 ( 0.195 -2.824 -0.151) 2.835 ======================= Grid point 487 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -0.000 16.973 0.000) 16.973 1.370 ( -0.000 0.971 0.000) 0.971 1.412 ( -0.000 10.546 0.000) 10.546 1.610 ( 0.000 -0.577 0.000) 0.577 1.614 ( 0.000 -0.563 0.000) 0.563 1.833 ( 0.000 -4.611 -0.000) 4.611 1.968 ( 0.000 -1.514 0.000) 1.514 2.092 ( 0.000 -6.649 0.000) 6.649 2.207 ( 0.000 -17.302 0.000) 17.302 2.544 ( -0.000 17.964 0.000) 17.964 3.039 ( 0.000 -0.554 0.000) 0.554 3.334 ( 0.000 -13.749 0.000) 13.749 3.523 ( -0.000 0.403 0.000) 0.403 3.670 ( 0.000 -2.882 0.000) 2.882 4.104 ( -0.000 1.148 0.000) 1.148 4.497 ( -0.000 0.072 0.000) 0.072 5.006 ( -0.000 8.203 0.000) 8.203 5.484 ( 0.000 -4.009 0.000) 4.009 5.486 ( -0.000 1.787 0.000) 1.787 5.839 ( -0.000 7.979 0.000) 7.979 6.298 ( 0.000 -7.767 0.000) 7.767 7.829 ( -0.000 0.984 0.000) 0.984 7.917 ( -0.000 1.221 0.000) 1.221 8.028 ( 0.000 -0.281 0.000) 0.281 8.742 ( 0.000 -0.051 0.000) 0.051 8.997 ( -0.000 3.734 0.000) 3.734 9.138 ( 0.000 -2.884 0.000) 2.884 ======================= Grid point 529 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -1.197 -0.000 0.000) 1.197 1.578 ( -3.635 0.000 0.000) 3.635 1.584 ( 2.492 -0.000 -0.000) 2.492 1.597 ( -4.048 0.000 0.000) 4.048 1.765 ( -0.318 0.000 0.000) 0.318 1.812 ( -2.256 -0.000 0.000) 2.256 1.871 ( 3.677 -0.000 -0.000) 3.677 1.907 ( 4.742 -0.000 -0.000) 4.742 2.103 ( 1.683 -0.000 -0.000) 1.683 2.851 ( -3.847 -0.000 0.000) 3.847 3.001 ( 2.836 -0.000 -0.000) 2.836 3.140 ( 3.616 -0.000 -0.000) 3.616 3.567 ( -2.618 -0.000 0.000) 2.618 3.709 ( -3.866 -0.000 0.000) 3.866 3.965 ( 7.698 -0.000 -0.000) 7.698 4.547 ( -1.952 -0.000 0.000) 1.952 5.154 ( -3.964 0.000 0.000) 3.964 5.370 ( 3.901 -0.000 -0.000) 3.901 5.558 ( -2.761 -0.000 0.000) 2.761 5.957 ( -2.318 -0.000 0.000) 2.318 6.150 ( 3.854 0.000 -0.000) 3.854 7.869 ( -1.678 0.000 0.000) 1.678 7.921 ( -0.190 -0.000 0.000) 0.190 8.015 ( 0.599 0.000 -0.000) 0.599 8.744 ( -0.212 -0.000 0.000) 0.212 9.088 ( 1.760 -0.000 -0.000) 1.760 9.111 ( -1.580 0.000 0.000) 1.580 ======================= Grid point 541 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -0.000 0.000 0.000) 0.000 1.522 ( 0.000 -0.000 -0.000) 0.000 1.524 ( 0.000 -0.000 -0.000) 0.000 1.675 ( -0.000 0.000 0.000) 0.000 1.727 ( -0.000 0.000 0.000) 0.000 1.785 ( -0.000 0.000 0.000) 0.000 1.969 ( -0.000 0.000 0.000) 0.000 1.984 ( -0.000 0.000 0.000) 0.000 2.076 ( -0.000 0.000 0.000) 0.000 2.797 ( -0.000 0.000 0.000) 0.000 3.068 ( -0.000 0.000 0.000) 0.000 3.200 ( -0.000 0.000 0.000) 0.000 3.511 ( 0.000 -0.000 -0.000) 0.000 3.636 ( -0.000 0.000 0.000) 0.000 4.108 ( -0.000 0.000 0.000) 0.000 4.498 ( -0.000 0.000 0.000) 0.000 5.093 ( 0.000 -0.000 0.000) 0.000 5.435 ( -0.000 0.000 0.000) 0.000 5.497 ( -0.000 0.000 0.000) 0.000 5.927 ( -0.000 0.000 0.000) 0.000 6.212 ( 0.000 -0.000 -0.000) 0.000 7.837 ( -0.000 0.000 0.000) 0.000 7.916 ( -0.000 0.000 0.000) 0.000 8.026 ( 0.000 -0.000 0.000) 0.000 8.740 ( -0.000 0.000 0.000) 0.000 9.084 ( -0.000 0.000 0.000) 0.000 9.118 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 553 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -0.000 0.000 2.035) 2.035 1.518 ( 0.000 0.000 -0.631) 0.631 1.524 ( -0.000 0.000 0.072) 0.072 1.669 ( 0.000 -0.000 -0.948) 0.948 1.719 ( 0.000 0.000 -1.248) 1.248 1.785 ( 0.000 0.000 -0.006) 0.006 1.974 ( -0.000 0.000 0.656) 0.656 1.982 ( 0.000 0.000 -0.263) 0.263 2.066 ( 0.000 0.000 -1.446) 1.446 2.795 ( 0.000 0.000 -0.181) 0.181 3.065 ( 0.000 0.000 -0.456) 0.456 3.195 ( 0.000 0.000 -0.780) 0.780 3.513 ( -0.000 0.000 0.225) 0.225 3.636 ( -0.000 0.000 0.049) 0.049 4.109 ( -0.000 0.000 0.092) 0.092 4.498 ( 0.000 0.000 -0.005) 0.005 5.094 ( -0.000 0.000 0.080) 0.080 5.435 ( 0.000 0.000 -0.021) 0.021 5.498 ( -0.000 0.000 0.082) 0.082 5.928 ( -0.000 0.000 0.105) 0.105 6.212 ( 0.000 -0.000 -0.109) 0.109 7.837 ( -0.000 0.000 0.024) 0.024 7.917 ( -0.000 0.000 0.158) 0.158 8.026 ( -0.000 -0.000 0.012) 0.012 8.740 ( -0.000 0.000 0.025) 0.025 9.080 ( 0.000 0.000 -0.456) 0.456 9.116 ( 0.000 0.000 -0.310) 0.310 ======================= Grid point 565 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -0.000 0.000 3.481) 3.481 1.506 ( 0.000 0.000 -1.047) 1.047 1.525 ( -0.000 0.000 0.116) 0.116 1.651 ( 0.000 -0.000 -1.462) 1.462 1.694 ( 0.000 0.000 -2.273) 2.273 1.785 ( 0.000 -0.000 -0.053) 0.053 1.977 ( 0.000 0.000 -0.371) 0.371 1.985 ( -0.000 0.000 0.985) 0.985 2.039 ( 0.000 -0.000 -2.341) 2.341 2.792 ( 0.000 0.000 -0.295) 0.295 3.056 ( 0.000 0.000 -0.740) 0.740 3.180 ( 0.000 0.000 -1.274) 1.274 3.517 ( -0.000 0.000 0.363) 0.363 3.637 ( -0.000 0.000 0.079) 0.079 4.111 ( -0.000 0.000 0.155) 0.155 4.498 ( 0.000 0.000 -0.009) 0.009 5.095 ( -0.000 0.000 0.131) 0.131 5.435 ( 0.000 0.000 -0.044) 0.044 5.499 ( -0.000 0.000 0.133) 0.133 5.930 ( -0.000 0.000 0.167) 0.167 6.210 ( 0.000 -0.000 -0.176) 0.176 7.838 ( -0.000 0.000 0.039) 0.039 7.920 ( -0.000 0.000 0.255) 0.255 8.026 ( -0.000 -0.000 0.018) 0.018 8.740 ( -0.000 0.000 0.040) 0.040 9.072 ( 0.000 -0.000 -0.740) 0.740 9.110 ( 0.000 0.000 -0.500) 0.500 ======================= Grid point 577 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.000 0.000 3.926) 3.926 1.490 ( 0.000 0.000 -1.077) 1.077 1.527 ( -0.000 0.000 0.115) 0.115 1.631 ( 0.000 -0.000 -1.396) 1.396 1.658 ( 0.000 0.000 -2.796) 2.796 1.783 ( 0.000 -0.000 -0.112) 0.112 1.972 ( 0.000 0.000 -0.298) 0.298 1.999 ( -0.000 0.000 0.914) 0.914 2.005 ( 0.000 -0.000 -2.344) 2.344 2.788 ( 0.000 0.000 -0.299) 0.299 3.046 ( 0.000 0.000 -0.742) 0.742 3.161 ( 0.000 0.000 -1.288) 1.288 3.522 ( -0.000 -0.000 0.362) 0.362 3.639 ( -0.000 0.000 0.080) 0.080 4.113 ( -0.000 0.000 0.164) 0.164 4.498 ( 0.000 0.000 -0.009) 0.009 5.097 ( -0.000 0.000 0.134) 0.134 5.434 ( 0.000 0.000 -0.057) 0.057 5.501 ( -0.000 0.000 0.131) 0.131 5.932 ( -0.000 0.000 0.165) 0.165 6.207 ( 0.000 -0.000 -0.174) 0.174 7.838 ( -0.000 0.000 0.039) 0.039 7.924 ( -0.000 0.000 0.254) 0.254 8.027 ( -0.000 -0.000 0.018) 0.018 8.741 ( -0.000 0.000 0.040) 0.040 9.061 ( 0.000 -0.000 -0.743) 0.743 9.103 ( 0.000 0.000 -0.499) 0.499 ======================= Grid point 590 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -0.000 0.000 2.934) 2.934 1.478 ( 0.000 0.000 -0.681) 0.681 1.528 ( -0.000 0.000 0.071) 0.071 1.615 ( 0.000 0.000 -0.838) 0.838 1.621 ( 0.000 0.000 -2.273) 2.273 1.782 ( 0.000 0.000 -0.101) 0.101 1.969 ( 0.000 0.000 -0.146) 0.146 1.978 ( 0.000 -0.000 -1.450) 1.450 2.009 ( -0.000 0.000 0.538) 0.538 2.784 ( 0.000 0.000 -0.186) 0.186 3.037 ( 0.000 0.000 -0.460) 0.460 3.146 ( 0.000 -0.000 -0.803) 0.803 3.526 ( -0.000 -0.000 0.223) 0.223 3.639 ( -0.000 0.000 0.049) 0.049 4.115 ( -0.000 0.000 0.106) 0.106 4.498 ( 0.000 0.000 -0.005) 0.005 5.099 ( -0.000 -0.000 0.084) 0.084 5.433 ( 0.000 0.000 -0.042) 0.042 5.502 ( -0.000 0.000 0.081) 0.081 5.934 ( -0.000 0.000 0.101) 0.101 6.205 ( 0.000 -0.000 -0.107) 0.107 7.839 ( -0.000 0.000 0.024) 0.024 7.927 ( -0.000 0.000 0.156) 0.156 8.027 ( -0.000 0.000 0.011) 0.011 8.741 ( -0.000 0.000 0.025) 0.025 9.053 ( 0.000 -0.000 -0.461) 0.461 9.097 ( 0.000 0.000 -0.308) 0.308 ======================= Grid point 592 (171/171) ======================= q-point: (-1.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.31e-04 4.31e-04 4.31e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.000 -0.000 0.000) 0.000 1.473 ( 0.000 -0.000 0.000) 0.000 1.529 ( -0.000 -0.000 0.000) 0.000 1.603 ( -0.000 -0.000 0.000) 0.000 1.609 ( 0.000 -0.000 0.000) 0.000 1.781 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 -0.000 0.000) 0.000 3.528 ( -0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 -0.000 0.000) 0.000 4.498 ( -0.000 0.000 0.000) 0.000 5.099 ( -0.000 -0.000 0.000) 0.000 5.433 ( -0.000 0.000 0.000) 0.000 5.503 ( -0.000 0.000 0.000) 0.000 5.935 ( -0.000 -0.000 0.000) 0.000 6.204 ( -0.000 -0.000 0.000) 0.000 7.839 ( -0.000 -0.000 0.000) 0.000 7.928 ( 0.000 -0.000 0.000) 0.000 8.027 ( -0.000 -0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 -0.000 0.000) 0.000 9.095 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/27000 10.0 74.402 83.557 33.170 0.000 -0.000 0.000 3/27000 20.0 34.490 35.831 7.319 0.000 -0.000 0.000 3/27000 30.0 21.922 22.487 3.945 0.000 -0.000 -0.000 3/27000 40.0 16.118 16.372 2.713 0.000 -0.000 -0.000 3/27000 50.0 12.780 12.878 2.071 0.000 -0.000 -0.000 3/27000 60.0 10.607 10.622 1.677 0.000 -0.000 -0.000 3/27000 70.0 9.076 9.046 1.410 0.000 -0.000 -0.000 3/27000 80.0 7.939 7.885 1.217 0.000 -0.000 -0.000 3/27000 90.0 7.059 6.992 1.071 0.000 -0.000 -0.000 3/27000 100.0 6.359 6.285 0.956 0.000 -0.000 -0.000 3/27000 110.0 5.787 5.710 0.864 0.000 -0.000 -0.000 3/27000 120.0 5.311 5.234 0.788 0.000 -0.000 -0.000 3/27000 130.0 4.909 4.832 0.725 0.000 -0.000 -0.000 3/27000 140.0 4.564 4.489 0.671 0.000 -0.000 -0.000 3/27000 150.0 4.265 4.192 0.625 0.000 -0.000 -0.000 3/27000 160.0 4.004 3.932 0.585 0.000 -0.000 -0.000 3/27000 170.0 3.773 3.703 0.549 0.000 -0.000 -0.000 3/27000 180.0 3.567 3.500 0.518 0.000 -0.000 -0.000 3/27000 190.0 3.383 3.318 0.490 0.000 -0.000 -0.000 3/27000 200.0 3.217 3.154 0.465 0.000 -0.000 -0.000 3/27000 210.0 3.067 3.006 0.443 0.000 -0.000 -0.000 3/27000 220.0 2.931 2.872 0.422 0.000 -0.000 -0.000 3/27000 230.0 2.806 2.749 0.404 0.000 -0.000 -0.000 3/27000 240.0 2.691 2.636 0.386 0.000 -0.000 -0.000 3/27000 250.0 2.586 2.532 0.371 0.000 -0.000 -0.000 3/27000 260.0 2.488 2.436 0.356 0.000 -0.000 -0.000 3/27000 270.0 2.398 2.347 0.343 0.000 -0.000 -0.000 3/27000 280.0 2.314 2.265 0.331 0.000 -0.000 -0.000 3/27000 290.0 2.236 2.188 0.319 0.000 -0.000 -0.000 3/27000 300.0 2.163 2.116 0.308 0.000 -0.000 -0.000 3/27000 310.0 2.094 2.049 0.298 0.000 -0.000 -0.000 3/27000 320.0 2.030 1.986 0.289 0.000 -0.000 -0.000 3/27000 330.0 1.970 1.927 0.280 0.000 -0.000 -0.000 3/27000 340.0 1.913 1.871 0.272 0.000 -0.000 -0.000 3/27000 350.0 1.859 1.818 0.264 0.000 -0.000 -0.000 3/27000 360.0 1.808 1.769 0.257 0.000 -0.000 -0.000 3/27000 370.0 1.760 1.721 0.250 0.000 -0.000 -0.000 3/27000 380.0 1.715 1.677 0.243 0.000 -0.000 -0.000 3/27000 390.0 1.672 1.635 0.237 0.000 -0.000 -0.000 3/27000 400.0 1.631 1.594 0.231 0.000 -0.000 -0.000 3/27000 410.0 1.591 1.556 0.225 0.000 -0.000 -0.000 3/27000 420.0 1.554 1.519 0.220 0.000 -0.000 -0.000 3/27000 430.0 1.519 1.485 0.215 0.000 -0.000 -0.000 3/27000 440.0 1.485 1.451 0.210 0.000 -0.000 -0.000 3/27000 450.0 1.452 1.420 0.205 0.000 -0.000 -0.000 3/27000 460.0 1.421 1.389 0.201 0.000 -0.000 -0.000 3/27000 470.0 1.391 1.360 0.196 0.000 -0.000 -0.000 3/27000 480.0 1.363 1.332 0.192 0.000 -0.000 -0.000 3/27000 490.0 1.335 1.305 0.188 0.000 -0.000 -0.000 3/27000 500.0 1.309 1.279 0.185 0.000 -0.000 -0.000 3/27000 510.0 1.284 1.255 0.181 0.000 -0.000 -0.000 3/27000 520.0 1.259 1.231 0.177 0.000 -0.000 -0.000 3/27000 530.0 1.236 1.208 0.174 0.000 -0.000 -0.000 3/27000 540.0 1.213 1.186 0.171 0.000 -0.000 -0.000 3/27000 550.0 1.192 1.165 0.168 0.000 -0.000 -0.000 3/27000 560.0 1.171 1.144 0.165 0.000 -0.000 -0.000 3/27000 570.0 1.150 1.124 0.162 0.000 -0.000 -0.000 3/27000 580.0 1.131 1.105 0.159 0.000 -0.000 -0.000 3/27000 590.0 1.112 1.087 0.156 0.000 -0.000 -0.000 3/27000 600.0 1.094 1.069 0.154 0.000 -0.000 -0.000 3/27000 610.0 1.076 1.051 0.151 0.000 -0.000 -0.000 3/27000 620.0 1.059 1.035 0.149 0.000 -0.000 -0.000 3/27000 630.0 1.042 1.018 0.146 0.000 -0.000 -0.000 3/27000 640.0 1.026 1.003 0.144 0.000 -0.000 -0.000 3/27000 650.0 1.011 0.987 0.142 0.000 -0.000 -0.000 3/27000 660.0 0.996 0.973 0.140 0.000 -0.000 -0.000 3/27000 670.0 0.981 0.958 0.138 0.000 -0.000 -0.000 3/27000 680.0 0.967 0.944 0.136 0.000 -0.000 -0.000 3/27000 690.0 0.953 0.931 0.134 0.000 -0.000 -0.000 3/27000 700.0 0.939 0.918 0.132 0.000 -0.000 -0.000 3/27000 710.0 0.926 0.905 0.130 0.000 -0.000 -0.000 3/27000 720.0 0.914 0.892 0.128 0.000 -0.000 -0.000 3/27000 730.0 0.901 0.880 0.126 0.000 -0.000 -0.000 3/27000 740.0 0.889 0.868 0.125 0.000 -0.000 -0.000 3/27000 750.0 0.877 0.857 0.123 0.000 -0.000 -0.000 3/27000 760.0 0.866 0.846 0.121 0.000 -0.000 -0.000 3/27000 770.0 0.855 0.835 0.120 0.000 -0.000 -0.000 3/27000 780.0 0.844 0.824 0.118 0.000 -0.000 -0.000 3/27000 790.0 0.833 0.814 0.117 0.000 -0.000 -0.000 3/27000 800.0 0.823 0.804 0.115 0.000 -0.000 -0.000 3/27000 810.0 0.813 0.794 0.114 0.000 -0.000 -0.000 3/27000 820.0 0.803 0.785 0.112 0.000 -0.000 -0.000 3/27000 830.0 0.794 0.775 0.111 0.000 -0.000 -0.000 3/27000 840.0 0.784 0.766 0.110 0.000 -0.000 -0.000 3/27000 850.0 0.775 0.757 0.108 0.000 -0.000 -0.000 3/27000 860.0 0.766 0.748 0.107 0.000 -0.000 -0.000 3/27000 870.0 0.758 0.740 0.106 0.000 -0.000 -0.000 3/27000 880.0 0.749 0.732 0.105 0.000 -0.000 -0.000 3/27000 890.0 0.741 0.723 0.104 0.000 -0.000 -0.000 3/27000 900.0 0.733 0.715 0.102 0.000 -0.000 -0.000 3/27000 910.0 0.725 0.708 0.101 0.000 -0.000 -0.000 3/27000 920.0 0.717 0.700 0.100 0.000 -0.000 -0.000 3/27000 930.0 0.709 0.693 0.099 0.000 -0.000 -0.000 3/27000 940.0 0.702 0.685 0.098 0.000 -0.000 -0.000 3/27000 950.0 0.694 0.678 0.097 0.000 -0.000 -0.000 3/27000 960.0 0.687 0.671 0.096 0.000 -0.000 -0.000 3/27000 970.0 0.680 0.664 0.095 0.000 -0.000 -0.000 3/27000 980.0 0.673 0.658 0.094 0.000 -0.000 -0.000 3/27000 990.0 0.667 0.651 0.093 0.000 -0.000 -0.000 3/27000 1000.0 0.660 0.645 0.092 0.000 -0.000 -0.000 3/27000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:32:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|