----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:20:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.894356375000000 -7.175722410000000 0.000000000000000 b 1.894356375000000 7.175722410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.966664470000000 Atomic positions (fractional): *1 Cu 0.53647923700076 0.46352076299924 0.75000000000000 63.546 2 Cu 0.46352076299924 0.53647923700076 0.25000000000000 63.546 *3 Se 0.37219180451365 0.62780819548635 0.04849826100884 78.960 4 Se 0.62780819548635 0.37219180451365 0.95150173899116 78.960 5 Se 0.62780819548635 0.37219180451365 0.54849826100884 78.960 6 Se 0.37219180451365 0.62780819548635 0.45150173899116 78.960 *7 Se 0.93143651493371 0.06856348506629 0.75000000000000 78.960 8 Se 0.06856348506629 0.93143651493371 0.25000000000000 78.960 *9 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 10 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 *11 Tl 0.75169548896751 0.24830451103249 0.25000000000000 204.383 12 Tl 0.24830451103249 0.75169548896751 0.75000000000000 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.788712750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.351444819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.966664470000000 Atomic positions (fractional): *1 Cu 0.00000000000000 0.46352076299924 0.75000000000000 63.546 > 1 2 Cu 0.50000000000000 0.03647923700076 0.25000000000000 63.546 > 2 3 Cu 0.50000000000000 0.96352076299924 0.75000000000000 63.546 > 1 4 Cu 0.00000000000000 0.53647923700076 0.25000000000000 63.546 > 2 *5 Se 0.50000000000000 0.12780819548635 0.04849826100884 78.960 > 3 6 Se 0.00000000000000 0.37219180451365 0.95150173899116 78.960 > 4 7 Se 0.00000000000000 0.37219180451365 0.54849826100884 78.960 > 5 8 Se 0.50000000000000 0.12780819548635 0.45150173899116 78.960 > 6 *9 Se 0.00000000000000 0.06856348506629 0.75000000000000 78.960 > 7 10 Se 0.50000000000000 0.43143651493371 0.25000000000000 78.960 > 8 11 Se 0.00000000000000 0.62780819548635 0.04849826100884 78.960 > 3 12 Se 0.50000000000000 0.87219180451365 0.95150173899116 78.960 > 4 13 Se 0.50000000000000 0.87219180451365 0.54849826100884 78.960 > 5 14 Se 0.00000000000000 0.62780819548635 0.45150173899116 78.960 > 6 15 Se 0.50000000000000 0.56856348506629 0.75000000000000 78.960 > 7 16 Se 0.00000000000000 0.93143651493371 0.25000000000000 78.960 > 8 *17 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 9 18 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 10 19 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 9 20 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 10 *21 Tl 0.00000000000000 0.24830451103249 0.25000000000000 204.383 > 11 22 Tl 0.50000000000000 0.25169548896751 0.75000000000000 204.383 > 12 23 Tl 0.50000000000000 0.74830451103249 0.25000000000000 204.383 > 11 24 Tl 0.00000000000000 0.75169548896751 0.75000000000000 204.383 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.366138250000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.351444819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 19.933328939999999 Atomic positions (fractional): *1 Cu 0.00000000000000 0.46352076299924 0.37500000000000 63.546 > 1 2 Cu 0.33333333333333 0.46352076299924 0.37500000000000 63.546 > 1 3 Cu 0.66666666666667 0.46352076299924 0.37500000000000 63.546 > 1 4 Cu 0.00000000000000 0.46352076299924 0.87500000000000 63.546 > 1 5 Cu 0.33333333333333 0.46352076299924 0.87500000000000 63.546 > 1 6 Cu 0.66666666666667 0.46352076299924 0.87500000000000 63.546 > 1 7 Cu 0.16666666666667 0.03647923700076 0.12500000000000 63.546 > 2 8 Cu 0.50000000000000 0.03647923700076 0.12500000000000 63.546 > 2 9 Cu 0.83333333333333 0.03647923700076 0.12500000000000 63.546 > 2 10 Cu 0.16666666666667 0.03647923700076 0.62500000000000 63.546 > 2 11 Cu 0.50000000000000 0.03647923700076 0.62500000000000 63.546 > 2 12 Cu 0.83333333333333 0.03647923700076 0.62500000000000 63.546 > 2 13 Cu 0.16666666666667 0.96352076299924 0.37500000000000 63.546 > 1 14 Cu 0.50000000000000 0.96352076299924 0.37500000000000 63.546 > 1 15 Cu 0.83333333333333 0.96352076299924 0.37500000000000 63.546 > 1 16 Cu 0.16666666666667 0.96352076299924 0.87500000000000 63.546 > 1 17 Cu 0.50000000000000 0.96352076299924 0.87500000000000 63.546 > 1 18 Cu 0.83333333333333 0.96352076299924 0.87500000000000 63.546 > 1 19 Cu 0.00000000000000 0.53647923700076 0.12500000000000 63.546 > 2 20 Cu 0.33333333333333 0.53647923700076 0.12500000000000 63.546 > 2 21 Cu 0.66666666666667 0.53647923700076 0.12500000000000 63.546 > 2 22 Cu 0.00000000000000 0.53647923700076 0.62500000000000 63.546 > 2 23 Cu 0.33333333333333 0.53647923700076 0.62500000000000 63.546 > 2 24 Cu 0.66666666666667 0.53647923700076 0.62500000000000 63.546 > 2 *25 Se 0.16666666666667 0.12780819548635 0.02424913050442 78.960 > 3 26 Se 0.50000000000000 0.12780819548635 0.02424913050442 78.960 > 3 27 Se 0.83333333333333 0.12780819548635 0.02424913050442 78.960 > 3 28 Se 0.16666666666667 0.12780819548635 0.52424913050442 78.960 > 3 29 Se 0.50000000000000 0.12780819548635 0.52424913050442 78.960 > 3 30 Se 0.83333333333333 0.12780819548635 0.52424913050442 78.960 > 3 31 Se 0.00000000000000 0.37219180451365 0.47575086949558 78.960 > 4 32 Se 0.33333333333333 0.37219180451365 0.47575086949558 78.960 > 4 33 Se 0.66666666666667 0.37219180451365 0.47575086949558 78.960 > 4 34 Se 0.00000000000000 0.37219180451365 0.97575086949558 78.960 > 4 35 Se 0.33333333333333 0.37219180451365 0.97575086949558 78.960 > 4 36 Se 0.66666666666667 0.37219180451365 0.97575086949558 78.960 > 4 37 Se 0.00000000000000 0.37219180451365 0.27424913050442 78.960 > 5 38 Se 0.33333333333333 0.37219180451365 0.27424913050442 78.960 > 5 39 Se 0.66666666666667 0.37219180451365 0.27424913050442 78.960 > 5 40 Se 0.00000000000000 0.37219180451365 0.77424913050442 78.960 > 5 41 Se 0.33333333333333 0.37219180451365 0.77424913050442 78.960 > 5 42 Se 0.66666666666667 0.37219180451365 0.77424913050442 78.960 > 5 43 Se 0.16666666666667 0.12780819548635 0.22575086949558 78.960 > 6 44 Se 0.50000000000000 0.12780819548635 0.22575086949558 78.960 > 6 45 Se 0.83333333333333 0.12780819548635 0.22575086949558 78.960 > 6 46 Se 0.16666666666667 0.12780819548635 0.72575086949558 78.960 > 6 47 Se 0.50000000000000 0.12780819548635 0.72575086949558 78.960 > 6 48 Se 0.83333333333333 0.12780819548635 0.72575086949558 78.960 > 6 *49 Se 0.00000000000000 0.06856348506629 0.37500000000000 78.960 > 7 50 Se 0.33333333333333 0.06856348506629 0.37500000000000 78.960 > 7 51 Se 0.66666666666667 0.06856348506629 0.37500000000000 78.960 > 7 52 Se 0.00000000000000 0.06856348506629 0.87500000000000 78.960 > 7 53 Se 0.33333333333333 0.06856348506629 0.87500000000000 78.960 > 7 54 Se 0.66666666666667 0.06856348506629 0.87500000000000 78.960 > 7 55 Se 0.16666666666667 0.43143651493371 0.12500000000000 78.960 > 8 56 Se 0.50000000000000 0.43143651493371 0.12500000000000 78.960 > 8 57 Se 0.83333333333333 0.43143651493371 0.12500000000000 78.960 > 8 58 Se 0.16666666666667 0.43143651493371 0.62500000000000 78.960 > 8 59 Se 0.50000000000000 0.43143651493371 0.62500000000000 78.960 > 8 60 Se 0.83333333333333 0.43143651493371 0.62500000000000 78.960 > 8 61 Se 0.00000000000000 0.62780819548635 0.02424913050442 78.960 > 3 62 Se 0.33333333333333 0.62780819548635 0.02424913050442 78.960 > 3 63 Se 0.66666666666667 0.62780819548635 0.02424913050442 78.960 > 3 64 Se 0.00000000000000 0.62780819548635 0.52424913050442 78.960 > 3 65 Se 0.33333333333333 0.62780819548635 0.52424913050442 78.960 > 3 66 Se 0.66666666666667 0.62780819548635 0.52424913050442 78.960 > 3 67 Se 0.16666666666667 0.87219180451365 0.47575086949558 78.960 > 4 68 Se 0.50000000000000 0.87219180451365 0.47575086949558 78.960 > 4 69 Se 0.83333333333333 0.87219180451365 0.47575086949558 78.960 > 4 70 Se 0.16666666666667 0.87219180451365 0.97575086949558 78.960 > 4 71 Se 0.50000000000000 0.87219180451365 0.97575086949558 78.960 > 4 72 Se 0.83333333333333 0.87219180451365 0.97575086949558 78.960 > 4 73 Se 0.16666666666667 0.87219180451365 0.27424913050442 78.960 > 5 74 Se 0.50000000000000 0.87219180451365 0.27424913050442 78.960 > 5 75 Se 0.83333333333333 0.87219180451365 0.27424913050442 78.960 > 5 76 Se 0.16666666666667 0.87219180451365 0.77424913050442 78.960 > 5 77 Se 0.50000000000000 0.87219180451365 0.77424913050442 78.960 > 5 78 Se 0.83333333333333 0.87219180451365 0.77424913050442 78.960 > 5 79 Se 0.00000000000000 0.62780819548635 0.22575086949558 78.960 > 6 80 Se 0.33333333333333 0.62780819548635 0.22575086949558 78.960 > 6 81 Se 0.66666666666667 0.62780819548635 0.22575086949558 78.960 > 6 82 Se 0.00000000000000 0.62780819548635 0.72575086949558 78.960 > 6 83 Se 0.33333333333333 0.62780819548635 0.72575086949558 78.960 > 6 84 Se 0.66666666666667 0.62780819548635 0.72575086949558 78.960 > 6 85 Se 0.16666666666667 0.56856348506629 0.37500000000000 78.960 > 7 86 Se 0.50000000000000 0.56856348506629 0.37500000000000 78.960 > 7 87 Se 0.83333333333333 0.56856348506629 0.37500000000000 78.960 > 7 88 Se 0.16666666666667 0.56856348506629 0.87500000000000 78.960 > 7 89 Se 0.50000000000000 0.56856348506629 0.87500000000000 78.960 > 7 90 Se 0.83333333333333 0.56856348506629 0.87500000000000 78.960 > 7 91 Se 0.00000000000000 0.93143651493371 0.12500000000000 78.960 > 8 92 Se 0.33333333333333 0.93143651493371 0.12500000000000 78.960 > 8 93 Se 0.66666666666667 0.93143651493371 0.12500000000000 78.960 > 8 94 Se 0.00000000000000 0.93143651493371 0.62500000000000 78.960 > 8 95 Se 0.33333333333333 0.93143651493371 0.62500000000000 78.960 > 8 96 Se 0.66666666666667 0.93143651493371 0.62500000000000 78.960 > 8 *97 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 9 98 Hf 0.33333333333333 0.00000000000000 0.25000000000000 178.490 > 9 99 Hf 0.66666666666667 0.00000000000000 0.25000000000000 178.490 > 9 100 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 9 101 Hf 0.33333333333333 0.00000000000000 0.75000000000000 178.490 > 9 102 Hf 0.66666666666667 0.00000000000000 0.75000000000000 178.490 > 9 103 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 10 104 Hf 0.33333333333333 0.00000000000000 0.00000000000000 178.490 > 10 105 Hf 0.66666666666667 0.00000000000000 0.00000000000000 178.490 > 10 106 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 10 107 Hf 0.33333333333333 0.00000000000000 0.50000000000000 178.490 > 10 108 Hf 0.66666666666667 0.00000000000000 0.50000000000000 178.490 > 10 109 Hf 0.16666666666667 0.50000000000000 0.25000000000000 178.490 > 9 110 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 9 111 Hf 0.83333333333333 0.50000000000000 0.25000000000000 178.490 > 9 112 Hf 0.16666666666667 0.50000000000000 0.75000000000000 178.490 > 9 113 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 9 114 Hf 0.83333333333333 0.50000000000000 0.75000000000000 178.490 > 9 115 Hf 0.16666666666667 0.50000000000000 0.00000000000000 178.490 > 10 116 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 10 117 Hf 0.83333333333333 0.50000000000000 0.00000000000000 178.490 > 10 118 Hf 0.16666666666667 0.50000000000000 0.50000000000000 178.490 > 10 119 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 10 120 Hf 0.83333333333333 0.50000000000000 0.50000000000000 178.490 > 10 *121 Tl 0.00000000000000 0.24830451103249 0.12500000000000 204.383 > 11 122 Tl 0.33333333333333 0.24830451103249 0.12500000000000 204.383 > 11 123 Tl 0.66666666666667 0.24830451103249 0.12500000000000 204.383 > 11 124 Tl 0.00000000000000 0.24830451103249 0.62500000000000 204.383 > 11 125 Tl 0.33333333333333 0.24830451103249 0.62500000000000 204.383 > 11 126 Tl 0.66666666666667 0.24830451103249 0.62500000000000 204.383 > 11 127 Tl 0.16666666666667 0.25169548896751 0.37500000000000 204.383 > 12 128 Tl 0.50000000000000 0.25169548896751 0.37500000000000 204.383 > 12 129 Tl 0.83333333333333 0.25169548896751 0.37500000000000 204.383 > 12 130 Tl 0.16666666666667 0.25169548896751 0.87500000000000 204.383 > 12 131 Tl 0.50000000000000 0.25169548896751 0.87500000000000 204.383 > 12 132 Tl 0.83333333333333 0.25169548896751 0.87500000000000 204.383 > 12 133 Tl 0.16666666666667 0.74830451103249 0.12500000000000 204.383 > 11 134 Tl 0.50000000000000 0.74830451103249 0.12500000000000 204.383 > 11 135 Tl 0.83333333333333 0.74830451103249 0.12500000000000 204.383 > 11 136 Tl 0.16666666666667 0.74830451103249 0.62500000000000 204.383 > 11 137 Tl 0.50000000000000 0.74830451103249 0.62500000000000 204.383 > 11 138 Tl 0.83333333333333 0.74830451103249 0.62500000000000 204.383 > 11 139 Tl 0.00000000000000 0.75169548896751 0.37500000000000 204.383 > 12 140 Tl 0.33333333333333 0.75169548896751 0.37500000000000 204.383 > 12 141 Tl 0.66666666666667 0.75169548896751 0.37500000000000 204.383 > 12 142 Tl 0.00000000000000 0.75169548896751 0.87500000000000 204.383 > 12 143 Tl 0.33333333333333 0.75169548896751 0.87500000000000 204.383 > 12 144 Tl 0.66666666666667 0.75169548896751 0.87500000000000 204.383 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 35.7033861 0.0000000 0.0000000 0.0000000 10.9683323 0.0000000 0.0000000 0.0000000 18.4728862 -------------------------- Born effective charges -------------------------- 1 Cu 1.6518932 0.0000000 0.0000000 0.0000000 0.2820717 0.0000000 0.0000000 0.0000000 -0.0383787 2 Cu 1.6518932 0.0000000 0.0000000 0.0000000 0.2820717 0.0000000 0.0000000 0.0000000 -0.0383787 3 Se -8.3808001 0.0000000 0.0000000 0.0000000 -2.5224063 -0.1710205 0.0000000 -0.7590397 -2.2201287 4 Se -8.3808001 0.0000000 0.0000000 0.0000000 -2.5224063 -0.1710205 0.0000000 -0.7590397 -2.2201287 5 Se -8.3808001 0.0000000 0.0000000 0.0000000 -2.5224063 0.1710205 0.0000000 0.7590397 -2.2201287 6 Se -8.3808001 0.0000000 0.0000000 0.0000000 -2.5224063 0.1710205 0.0000000 0.7590397 -2.2201287 7 Se 0.1933144 0.0000000 0.0000000 0.0000000 -1.8587987 0.0000000 0.0000000 0.0000000 -6.5756962 8 Se 0.1933144 0.0000000 0.0000000 0.0000000 -1.8587987 0.0000000 0.0000000 0.0000000 -6.5756962 9 Hf 12.7198334 0.0000000 0.0000000 0.0000000 3.2950159 0.4411207 0.0000000 0.0592815 8.8230478 10 Hf 12.7198334 0.0000000 0.0000000 0.0000000 3.2950159 -0.4411207 0.0000000 -0.0592815 8.8230478 11 Tl 2.1965592 0.0000000 0.0000000 0.0000000 3.3265238 0.0000000 0.0000000 0.0000000 2.2312845 12 Tl 2.1965592 0.0000000 0.0000000 0.0000000 3.3265238 0.0000000 0.0000000 0.0000000 2.2312845 ---------------------------------------------------------------------------- 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: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 1.625 Solver_block: 200 / 240 - Time: 1.595 Solver_block: 240 / 240 - Time: 0.715 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.961 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:20:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:20:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.894356375000000 -7.175722410000000 0.000000000000000 b 1.894356375000000 7.175722410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.966664470000000 Atomic positions (fractional): 1 Cu 0.53647923700076 0.46352076299924 0.75000000000000 63.546 2 Cu 0.46352076299924 0.53647923700076 0.25000000000000 63.546 3 Se 0.37219180451365 0.62780819548635 0.04849826100884 78.960 4 Se 0.62780819548635 0.37219180451365 0.95150173899116 78.960 5 Se 0.62780819548635 0.37219180451365 0.54849826100884 78.960 6 Se 0.37219180451365 0.62780819548635 0.45150173899116 78.960 7 Se 0.93143651493371 0.06856348506629 0.75000000000000 78.960 8 Se 0.06856348506629 0.93143651493371 0.25000000000000 78.960 9 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 10 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 11 Tl 0.75169548896751 0.24830451103249 0.25000000000000 204.383 12 Tl 0.24830451103249 0.75169548896751 0.75000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.366138250000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.351444819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 19.933328939999999 Atomic positions (fractional): 1 Cu 0.00000000000000 0.46352076299924 0.37500000000000 63.546 > 1 2 Cu 0.33333333333333 0.46352076299924 0.37500000000000 63.546 > 1 3 Cu 0.66666666666667 0.46352076299924 0.37500000000000 63.546 > 1 4 Cu 0.00000000000000 0.46352076299924 0.87500000000000 63.546 > 1 5 Cu 0.33333333333333 0.46352076299924 0.87500000000000 63.546 > 1 6 Cu 0.66666666666667 0.46352076299924 0.87500000000000 63.546 > 1 7 Cu 0.16666666666667 0.03647923700076 0.12500000000000 63.546 > 7 8 Cu 0.50000000000000 0.03647923700076 0.12500000000000 63.546 > 7 9 Cu 0.83333333333333 0.03647923700076 0.12500000000000 63.546 > 7 10 Cu 0.16666666666667 0.03647923700076 0.62500000000000 63.546 > 7 11 Cu 0.50000000000000 0.03647923700076 0.62500000000000 63.546 > 7 12 Cu 0.83333333333333 0.03647923700076 0.62500000000000 63.546 > 7 13 Cu 0.16666666666667 0.96352076299924 0.37500000000000 63.546 > 1 14 Cu 0.50000000000000 0.96352076299924 0.37500000000000 63.546 > 1 15 Cu 0.83333333333333 0.96352076299924 0.37500000000000 63.546 > 1 16 Cu 0.16666666666667 0.96352076299924 0.87500000000000 63.546 > 1 17 Cu 0.50000000000000 0.96352076299924 0.87500000000000 63.546 > 1 18 Cu 0.83333333333333 0.96352076299924 0.87500000000000 63.546 > 1 19 Cu 0.00000000000000 0.53647923700076 0.12500000000000 63.546 > 7 20 Cu 0.33333333333333 0.53647923700076 0.12500000000000 63.546 > 7 21 Cu 0.66666666666667 0.53647923700076 0.12500000000000 63.546 > 7 22 Cu 0.00000000000000 0.53647923700076 0.62500000000000 63.546 > 7 23 Cu 0.33333333333333 0.53647923700076 0.62500000000000 63.546 > 7 24 Cu 0.66666666666667 0.53647923700076 0.62500000000000 63.546 > 7 25 Se 0.16666666666667 0.12780819548635 0.02424913050442 78.960 > 25 26 Se 0.50000000000000 0.12780819548635 0.02424913050442 78.960 > 25 27 Se 0.83333333333333 0.12780819548635 0.02424913050442 78.960 > 25 28 Se 0.16666666666667 0.12780819548635 0.52424913050442 78.960 > 25 29 Se 0.50000000000000 0.12780819548635 0.52424913050442 78.960 > 25 30 Se 0.83333333333333 0.12780819548635 0.52424913050442 78.960 > 25 31 Se 0.00000000000000 0.37219180451365 0.47575086949558 78.960 > 31 32 Se 0.33333333333333 0.37219180451365 0.47575086949558 78.960 > 31 33 Se 0.66666666666667 0.37219180451365 0.47575086949558 78.960 > 31 34 Se 0.00000000000000 0.37219180451365 0.97575086949558 78.960 > 31 35 Se 0.33333333333333 0.37219180451365 0.97575086949558 78.960 > 31 36 Se 0.66666666666667 0.37219180451365 0.97575086949558 78.960 > 31 37 Se 0.00000000000000 0.37219180451365 0.27424913050442 78.960 > 37 38 Se 0.33333333333333 0.37219180451365 0.27424913050442 78.960 > 37 39 Se 0.66666666666667 0.37219180451365 0.27424913050442 78.960 > 37 40 Se 0.00000000000000 0.37219180451365 0.77424913050442 78.960 > 37 41 Se 0.33333333333333 0.37219180451365 0.77424913050442 78.960 > 37 42 Se 0.66666666666667 0.37219180451365 0.77424913050442 78.960 > 37 43 Se 0.16666666666667 0.12780819548635 0.22575086949558 78.960 > 43 44 Se 0.50000000000000 0.12780819548635 0.22575086949558 78.960 > 43 45 Se 0.83333333333333 0.12780819548635 0.22575086949558 78.960 > 43 46 Se 0.16666666666667 0.12780819548635 0.72575086949558 78.960 > 43 47 Se 0.50000000000000 0.12780819548635 0.72575086949558 78.960 > 43 48 Se 0.83333333333333 0.12780819548635 0.72575086949558 78.960 > 43 49 Se 0.00000000000000 0.06856348506629 0.37500000000000 78.960 > 49 50 Se 0.33333333333333 0.06856348506629 0.37500000000000 78.960 > 49 51 Se 0.66666666666667 0.06856348506629 0.37500000000000 78.960 > 49 52 Se 0.00000000000000 0.06856348506629 0.87500000000000 78.960 > 49 53 Se 0.33333333333333 0.06856348506629 0.87500000000000 78.960 > 49 54 Se 0.66666666666667 0.06856348506629 0.87500000000000 78.960 > 49 55 Se 0.16666666666667 0.43143651493371 0.12500000000000 78.960 > 55 56 Se 0.50000000000000 0.43143651493371 0.12500000000000 78.960 > 55 57 Se 0.83333333333333 0.43143651493371 0.12500000000000 78.960 > 55 58 Se 0.16666666666667 0.43143651493371 0.62500000000000 78.960 > 55 59 Se 0.50000000000000 0.43143651493371 0.62500000000000 78.960 > 55 60 Se 0.83333333333333 0.43143651493371 0.62500000000000 78.960 > 55 61 Se 0.00000000000000 0.62780819548635 0.02424913050442 78.960 > 25 62 Se 0.33333333333333 0.62780819548635 0.02424913050442 78.960 > 25 63 Se 0.66666666666667 0.62780819548635 0.02424913050442 78.960 > 25 64 Se 0.00000000000000 0.62780819548635 0.52424913050442 78.960 > 25 65 Se 0.33333333333333 0.62780819548635 0.52424913050442 78.960 > 25 66 Se 0.66666666666667 0.62780819548635 0.52424913050442 78.960 > 25 67 Se 0.16666666666667 0.87219180451365 0.47575086949558 78.960 > 31 68 Se 0.50000000000000 0.87219180451365 0.47575086949558 78.960 > 31 69 Se 0.83333333333333 0.87219180451365 0.47575086949558 78.960 > 31 70 Se 0.16666666666667 0.87219180451365 0.97575086949558 78.960 > 31 71 Se 0.50000000000000 0.87219180451365 0.97575086949558 78.960 > 31 72 Se 0.83333333333333 0.87219180451365 0.97575086949558 78.960 > 31 73 Se 0.16666666666667 0.87219180451365 0.27424913050442 78.960 > 37 74 Se 0.50000000000000 0.87219180451365 0.27424913050442 78.960 > 37 75 Se 0.83333333333333 0.87219180451365 0.27424913050442 78.960 > 37 76 Se 0.16666666666667 0.87219180451365 0.77424913050442 78.960 > 37 77 Se 0.50000000000000 0.87219180451365 0.77424913050442 78.960 > 37 78 Se 0.83333333333333 0.87219180451365 0.77424913050442 78.960 > 37 79 Se 0.00000000000000 0.62780819548635 0.22575086949558 78.960 > 43 80 Se 0.33333333333333 0.62780819548635 0.22575086949558 78.960 > 43 81 Se 0.66666666666667 0.62780819548635 0.22575086949558 78.960 > 43 82 Se 0.00000000000000 0.62780819548635 0.72575086949558 78.960 > 43 83 Se 0.33333333333333 0.62780819548635 0.72575086949558 78.960 > 43 84 Se 0.66666666666667 0.62780819548635 0.72575086949558 78.960 > 43 85 Se 0.16666666666667 0.56856348506629 0.37500000000000 78.960 > 49 86 Se 0.50000000000000 0.56856348506629 0.37500000000000 78.960 > 49 87 Se 0.83333333333333 0.56856348506629 0.37500000000000 78.960 > 49 88 Se 0.16666666666667 0.56856348506629 0.87500000000000 78.960 > 49 89 Se 0.50000000000000 0.56856348506629 0.87500000000000 78.960 > 49 90 Se 0.83333333333333 0.56856348506629 0.87500000000000 78.960 > 49 91 Se 0.00000000000000 0.93143651493371 0.12500000000000 78.960 > 55 92 Se 0.33333333333333 0.93143651493371 0.12500000000000 78.960 > 55 93 Se 0.66666666666667 0.93143651493371 0.12500000000000 78.960 > 55 94 Se 0.00000000000000 0.93143651493371 0.62500000000000 78.960 > 55 95 Se 0.33333333333333 0.93143651493371 0.62500000000000 78.960 > 55 96 Se 0.66666666666667 0.93143651493371 0.62500000000000 78.960 > 55 97 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 97 98 Hf 0.33333333333333 0.00000000000000 0.25000000000000 178.490 > 97 99 Hf 0.66666666666667 0.00000000000000 0.25000000000000 178.490 > 97 100 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 97 101 Hf 0.33333333333333 0.00000000000000 0.75000000000000 178.490 > 97 102 Hf 0.66666666666667 0.00000000000000 0.75000000000000 178.490 > 97 103 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 103 104 Hf 0.33333333333333 0.00000000000000 0.00000000000000 178.490 > 103 105 Hf 0.66666666666667 0.00000000000000 0.00000000000000 178.490 > 103 106 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 103 107 Hf 0.33333333333333 0.00000000000000 0.50000000000000 178.490 > 103 108 Hf 0.66666666666667 0.00000000000000 0.50000000000000 178.490 > 103 109 Hf 0.16666666666667 0.50000000000000 0.25000000000000 178.490 > 97 110 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 97 111 Hf 0.83333333333333 0.50000000000000 0.25000000000000 178.490 > 97 112 Hf 0.16666666666667 0.50000000000000 0.75000000000000 178.490 > 97 113 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 97 114 Hf 0.83333333333333 0.50000000000000 0.75000000000000 178.490 > 97 115 Hf 0.16666666666667 0.50000000000000 0.00000000000000 178.490 > 103 116 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 103 117 Hf 0.83333333333333 0.50000000000000 0.00000000000000 178.490 > 103 118 Hf 0.16666666666667 0.50000000000000 0.50000000000000 178.490 > 103 119 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 103 120 Hf 0.83333333333333 0.50000000000000 0.50000000000000 178.490 > 103 121 Tl 0.00000000000000 0.24830451103249 0.12500000000000 204.383 > 121 122 Tl 0.33333333333333 0.24830451103249 0.12500000000000 204.383 > 121 123 Tl 0.66666666666667 0.24830451103249 0.12500000000000 204.383 > 121 124 Tl 0.00000000000000 0.24830451103249 0.62500000000000 204.383 > 121 125 Tl 0.33333333333333 0.24830451103249 0.62500000000000 204.383 > 121 126 Tl 0.66666666666667 0.24830451103249 0.62500000000000 204.383 > 121 127 Tl 0.16666666666667 0.25169548896751 0.37500000000000 204.383 > 127 128 Tl 0.50000000000000 0.25169548896751 0.37500000000000 204.383 > 127 129 Tl 0.83333333333333 0.25169548896751 0.37500000000000 204.383 > 127 130 Tl 0.16666666666667 0.25169548896751 0.87500000000000 204.383 > 127 131 Tl 0.50000000000000 0.25169548896751 0.87500000000000 204.383 > 127 132 Tl 0.83333333333333 0.25169548896751 0.87500000000000 204.383 > 127 133 Tl 0.16666666666667 0.74830451103249 0.12500000000000 204.383 > 121 134 Tl 0.50000000000000 0.74830451103249 0.12500000000000 204.383 > 121 135 Tl 0.83333333333333 0.74830451103249 0.12500000000000 204.383 > 121 136 Tl 0.16666666666667 0.74830451103249 0.62500000000000 204.383 > 121 137 Tl 0.50000000000000 0.74830451103249 0.62500000000000 204.383 > 121 138 Tl 0.83333333333333 0.74830451103249 0.62500000000000 204.383 > 121 139 Tl 0.00000000000000 0.75169548896751 0.37500000000000 204.383 > 127 140 Tl 0.33333333333333 0.75169548896751 0.37500000000000 204.383 > 127 141 Tl 0.66666666666667 0.75169548896751 0.37500000000000 204.383 > 127 142 Tl 0.00000000000000 0.75169548896751 0.87500000000000 204.383 > 127 143 Tl 0.33333333333333 0.75169548896751 0.87500000000000 204.383 > 127 144 Tl 0.66666666666667 0.75169548896751 0.87500000000000 204.383 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 35.7033861 0.0000000 0.0000000 0.0000000 10.9683323 0.0000000 0.0000000 0.0000000 18.4728862 -------------------------- Born effective charges -------------------------- 1 Cu 1.6518932 0.0000000 0.0000000 0.0000000 0.2820717 0.0000000 0.0000000 0.0000000 -0.0383787 2 Cu 1.6518932 0.0000000 0.0000000 0.0000000 0.2820717 0.0000000 0.0000000 0.0000000 -0.0383787 3 Se -8.3808001 0.0000000 0.0000000 0.0000000 -2.5224063 -0.1710205 0.0000000 -0.7590397 -2.2201287 4 Se -8.3808001 0.0000000 0.0000000 0.0000000 -2.5224063 -0.1710205 0.0000000 -0.7590397 -2.2201287 5 Se -8.3808001 0.0000000 0.0000000 0.0000000 -2.5224063 0.1710205 0.0000000 0.7590397 -2.2201287 6 Se -8.3808001 0.0000000 0.0000000 0.0000000 -2.5224063 0.1710205 0.0000000 0.7590397 -2.2201287 7 Se 0.1933144 0.0000000 0.0000000 0.0000000 -1.8587987 0.0000000 0.0000000 0.0000000 -6.5756962 8 Se 0.1933144 0.0000000 0.0000000 0.0000000 -1.8587987 0.0000000 0.0000000 0.0000000 -6.5756962 9 Hf 12.7198334 0.0000000 0.0000000 0.0000000 3.2950159 0.4411207 0.0000000 0.0592815 8.8230478 10 Hf 12.7198334 0.0000000 0.0000000 0.0000000 3.2950159 -0.4411207 0.0000000 -0.0592815 8.8230478 11 Tl 2.1965592 0.0000000 0.0000000 0.0000000 3.3265238 0.0000000 0.0000000 0.0000000 2.2312845 12 Tl 2.1965592 0.0000000 0.0000000 0.0000000 3.3265238 0.0000000 0.0000000 0.0000000 2.2312845 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:20:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:20:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.894356375000000 -7.175722410000000 0.000000000000000 b 1.894356375000000 7.175722410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.966664470000000 Atomic positions (fractional): 1 Cu 0.53647923700076 0.46352076299924 0.75000000000000 63.546 2 Cu 0.46352076299924 0.53647923700076 0.25000000000000 63.546 3 Se 0.37219180451365 0.62780819548635 0.04849826100884 78.960 4 Se 0.62780819548635 0.37219180451365 0.95150173899116 78.960 5 Se 0.62780819548635 0.37219180451365 0.54849826100884 78.960 6 Se 0.37219180451365 0.62780819548635 0.45150173899116 78.960 7 Se 0.93143651493371 0.06856348506629 0.75000000000000 78.960 8 Se 0.06856348506629 0.93143651493371 0.25000000000000 78.960 9 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 10 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 11 Tl 0.75169548896751 0.24830451103249 0.25000000000000 204.383 12 Tl 0.24830451103249 0.75169548896751 0.75000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.366138250000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.351444819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 19.933328939999999 Atomic positions (fractional): 1 Cu 0.00000000000000 0.46352076299924 0.37500000000000 63.546 > 1 2 Cu 0.33333333333333 0.46352076299924 0.37500000000000 63.546 > 1 3 Cu 0.66666666666667 0.46352076299924 0.37500000000000 63.546 > 1 4 Cu 0.00000000000000 0.46352076299924 0.87500000000000 63.546 > 1 5 Cu 0.33333333333333 0.46352076299924 0.87500000000000 63.546 > 1 6 Cu 0.66666666666667 0.46352076299924 0.87500000000000 63.546 > 1 7 Cu 0.16666666666667 0.03647923700076 0.12500000000000 63.546 > 7 8 Cu 0.50000000000000 0.03647923700076 0.12500000000000 63.546 > 7 9 Cu 0.83333333333333 0.03647923700076 0.12500000000000 63.546 > 7 10 Cu 0.16666666666667 0.03647923700076 0.62500000000000 63.546 > 7 11 Cu 0.50000000000000 0.03647923700076 0.62500000000000 63.546 > 7 12 Cu 0.83333333333333 0.03647923700076 0.62500000000000 63.546 > 7 13 Cu 0.16666666666667 0.96352076299924 0.37500000000000 63.546 > 1 14 Cu 0.50000000000000 0.96352076299924 0.37500000000000 63.546 > 1 15 Cu 0.83333333333333 0.96352076299924 0.37500000000000 63.546 > 1 16 Cu 0.16666666666667 0.96352076299924 0.87500000000000 63.546 > 1 17 Cu 0.50000000000000 0.96352076299924 0.87500000000000 63.546 > 1 18 Cu 0.83333333333333 0.96352076299924 0.87500000000000 63.546 > 1 19 Cu 0.00000000000000 0.53647923700076 0.12500000000000 63.546 > 7 20 Cu 0.33333333333333 0.53647923700076 0.12500000000000 63.546 > 7 21 Cu 0.66666666666667 0.53647923700076 0.12500000000000 63.546 > 7 22 Cu 0.00000000000000 0.53647923700076 0.62500000000000 63.546 > 7 23 Cu 0.33333333333333 0.53647923700076 0.62500000000000 63.546 > 7 24 Cu 0.66666666666667 0.53647923700076 0.62500000000000 63.546 > 7 25 Se 0.16666666666667 0.12780819548635 0.02424913050442 78.960 > 25 26 Se 0.50000000000000 0.12780819548635 0.02424913050442 78.960 > 25 27 Se 0.83333333333333 0.12780819548635 0.02424913050442 78.960 > 25 28 Se 0.16666666666667 0.12780819548635 0.52424913050442 78.960 > 25 29 Se 0.50000000000000 0.12780819548635 0.52424913050442 78.960 > 25 30 Se 0.83333333333333 0.12780819548635 0.52424913050442 78.960 > 25 31 Se 0.00000000000000 0.37219180451365 0.47575086949558 78.960 > 31 32 Se 0.33333333333333 0.37219180451365 0.47575086949558 78.960 > 31 33 Se 0.66666666666667 0.37219180451365 0.47575086949558 78.960 > 31 34 Se 0.00000000000000 0.37219180451365 0.97575086949558 78.960 > 31 35 Se 0.33333333333333 0.37219180451365 0.97575086949558 78.960 > 31 36 Se 0.66666666666667 0.37219180451365 0.97575086949558 78.960 > 31 37 Se 0.00000000000000 0.37219180451365 0.27424913050442 78.960 > 37 38 Se 0.33333333333333 0.37219180451365 0.27424913050442 78.960 > 37 39 Se 0.66666666666667 0.37219180451365 0.27424913050442 78.960 > 37 40 Se 0.00000000000000 0.37219180451365 0.77424913050442 78.960 > 37 41 Se 0.33333333333333 0.37219180451365 0.77424913050442 78.960 > 37 42 Se 0.66666666666667 0.37219180451365 0.77424913050442 78.960 > 37 43 Se 0.16666666666667 0.12780819548635 0.22575086949558 78.960 > 43 44 Se 0.50000000000000 0.12780819548635 0.22575086949558 78.960 > 43 45 Se 0.83333333333333 0.12780819548635 0.22575086949558 78.960 > 43 46 Se 0.16666666666667 0.12780819548635 0.72575086949558 78.960 > 43 47 Se 0.50000000000000 0.12780819548635 0.72575086949558 78.960 > 43 48 Se 0.83333333333333 0.12780819548635 0.72575086949558 78.960 > 43 49 Se 0.00000000000000 0.06856348506629 0.37500000000000 78.960 > 49 50 Se 0.33333333333333 0.06856348506629 0.37500000000000 78.960 > 49 51 Se 0.66666666666667 0.06856348506629 0.37500000000000 78.960 > 49 52 Se 0.00000000000000 0.06856348506629 0.87500000000000 78.960 > 49 53 Se 0.33333333333333 0.06856348506629 0.87500000000000 78.960 > 49 54 Se 0.66666666666667 0.06856348506629 0.87500000000000 78.960 > 49 55 Se 0.16666666666667 0.43143651493371 0.12500000000000 78.960 > 55 56 Se 0.50000000000000 0.43143651493371 0.12500000000000 78.960 > 55 57 Se 0.83333333333333 0.43143651493371 0.12500000000000 78.960 > 55 58 Se 0.16666666666667 0.43143651493371 0.62500000000000 78.960 > 55 59 Se 0.50000000000000 0.43143651493371 0.62500000000000 78.960 > 55 60 Se 0.83333333333333 0.43143651493371 0.62500000000000 78.960 > 55 61 Se 0.00000000000000 0.62780819548635 0.02424913050442 78.960 > 25 62 Se 0.33333333333333 0.62780819548635 0.02424913050442 78.960 > 25 63 Se 0.66666666666667 0.62780819548635 0.02424913050442 78.960 > 25 64 Se 0.00000000000000 0.62780819548635 0.52424913050442 78.960 > 25 65 Se 0.33333333333333 0.62780819548635 0.52424913050442 78.960 > 25 66 Se 0.66666666666667 0.62780819548635 0.52424913050442 78.960 > 25 67 Se 0.16666666666667 0.87219180451365 0.47575086949558 78.960 > 31 68 Se 0.50000000000000 0.87219180451365 0.47575086949558 78.960 > 31 69 Se 0.83333333333333 0.87219180451365 0.47575086949558 78.960 > 31 70 Se 0.16666666666667 0.87219180451365 0.97575086949558 78.960 > 31 71 Se 0.50000000000000 0.87219180451365 0.97575086949558 78.960 > 31 72 Se 0.83333333333333 0.87219180451365 0.97575086949558 78.960 > 31 73 Se 0.16666666666667 0.87219180451365 0.27424913050442 78.960 > 37 74 Se 0.50000000000000 0.87219180451365 0.27424913050442 78.960 > 37 75 Se 0.83333333333333 0.87219180451365 0.27424913050442 78.960 > 37 76 Se 0.16666666666667 0.87219180451365 0.77424913050442 78.960 > 37 77 Se 0.50000000000000 0.87219180451365 0.77424913050442 78.960 > 37 78 Se 0.83333333333333 0.87219180451365 0.77424913050442 78.960 > 37 79 Se 0.00000000000000 0.62780819548635 0.22575086949558 78.960 > 43 80 Se 0.33333333333333 0.62780819548635 0.22575086949558 78.960 > 43 81 Se 0.66666666666667 0.62780819548635 0.22575086949558 78.960 > 43 82 Se 0.00000000000000 0.62780819548635 0.72575086949558 78.960 > 43 83 Se 0.33333333333333 0.62780819548635 0.72575086949558 78.960 > 43 84 Se 0.66666666666667 0.62780819548635 0.72575086949558 78.960 > 43 85 Se 0.16666666666667 0.56856348506629 0.37500000000000 78.960 > 49 86 Se 0.50000000000000 0.56856348506629 0.37500000000000 78.960 > 49 87 Se 0.83333333333333 0.56856348506629 0.37500000000000 78.960 > 49 88 Se 0.16666666666667 0.56856348506629 0.87500000000000 78.960 > 49 89 Se 0.50000000000000 0.56856348506629 0.87500000000000 78.960 > 49 90 Se 0.83333333333333 0.56856348506629 0.87500000000000 78.960 > 49 91 Se 0.00000000000000 0.93143651493371 0.12500000000000 78.960 > 55 92 Se 0.33333333333333 0.93143651493371 0.12500000000000 78.960 > 55 93 Se 0.66666666666667 0.93143651493371 0.12500000000000 78.960 > 55 94 Se 0.00000000000000 0.93143651493371 0.62500000000000 78.960 > 55 95 Se 0.33333333333333 0.93143651493371 0.62500000000000 78.960 > 55 96 Se 0.66666666666667 0.93143651493371 0.62500000000000 78.960 > 55 97 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 97 98 Hf 0.33333333333333 0.00000000000000 0.25000000000000 178.490 > 97 99 Hf 0.66666666666667 0.00000000000000 0.25000000000000 178.490 > 97 100 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 97 101 Hf 0.33333333333333 0.00000000000000 0.75000000000000 178.490 > 97 102 Hf 0.66666666666667 0.00000000000000 0.75000000000000 178.490 > 97 103 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 103 104 Hf 0.33333333333333 0.00000000000000 0.00000000000000 178.490 > 103 105 Hf 0.66666666666667 0.00000000000000 0.00000000000000 178.490 > 103 106 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 103 107 Hf 0.33333333333333 0.00000000000000 0.50000000000000 178.490 > 103 108 Hf 0.66666666666667 0.00000000000000 0.50000000000000 178.490 > 103 109 Hf 0.16666666666667 0.50000000000000 0.25000000000000 178.490 > 97 110 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 97 111 Hf 0.83333333333333 0.50000000000000 0.25000000000000 178.490 > 97 112 Hf 0.16666666666667 0.50000000000000 0.75000000000000 178.490 > 97 113 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 97 114 Hf 0.83333333333333 0.50000000000000 0.75000000000000 178.490 > 97 115 Hf 0.16666666666667 0.50000000000000 0.00000000000000 178.490 > 103 116 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 103 117 Hf 0.83333333333333 0.50000000000000 0.00000000000000 178.490 > 103 118 Hf 0.16666666666667 0.50000000000000 0.50000000000000 178.490 > 103 119 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 103 120 Hf 0.83333333333333 0.50000000000000 0.50000000000000 178.490 > 103 121 Tl 0.00000000000000 0.24830451103249 0.12500000000000 204.383 > 121 122 Tl 0.33333333333333 0.24830451103249 0.12500000000000 204.383 > 121 123 Tl 0.66666666666667 0.24830451103249 0.12500000000000 204.383 > 121 124 Tl 0.00000000000000 0.24830451103249 0.62500000000000 204.383 > 121 125 Tl 0.33333333333333 0.24830451103249 0.62500000000000 204.383 > 121 126 Tl 0.66666666666667 0.24830451103249 0.62500000000000 204.383 > 121 127 Tl 0.16666666666667 0.25169548896751 0.37500000000000 204.383 > 127 128 Tl 0.50000000000000 0.25169548896751 0.37500000000000 204.383 > 127 129 Tl 0.83333333333333 0.25169548896751 0.37500000000000 204.383 > 127 130 Tl 0.16666666666667 0.25169548896751 0.87500000000000 204.383 > 127 131 Tl 0.50000000000000 0.25169548896751 0.87500000000000 204.383 > 127 132 Tl 0.83333333333333 0.25169548896751 0.87500000000000 204.383 > 127 133 Tl 0.16666666666667 0.74830451103249 0.12500000000000 204.383 > 121 134 Tl 0.50000000000000 0.74830451103249 0.12500000000000 204.383 > 121 135 Tl 0.83333333333333 0.74830451103249 0.12500000000000 204.383 > 121 136 Tl 0.16666666666667 0.74830451103249 0.62500000000000 204.383 > 121 137 Tl 0.50000000000000 0.74830451103249 0.62500000000000 204.383 > 121 138 Tl 0.83333333333333 0.74830451103249 0.62500000000000 204.383 > 121 139 Tl 0.00000000000000 0.75169548896751 0.37500000000000 204.383 > 127 140 Tl 0.33333333333333 0.75169548896751 0.37500000000000 204.383 > 127 141 Tl 0.66666666666667 0.75169548896751 0.37500000000000 204.383 > 127 142 Tl 0.00000000000000 0.75169548896751 0.87500000000000 204.383 > 127 143 Tl 0.33333333333333 0.75169548896751 0.87500000000000 204.383 > 127 144 Tl 0.66666666666667 0.75169548896751 0.87500000000000 204.383 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 35.7033861 0.0000000 0.0000000 0.0000000 10.9683323 0.0000000 0.0000000 0.0000000 18.4728862 -------------------------- Born effective charges -------------------------- 1 Cu 1.6518932 0.0000000 0.0000000 0.0000000 0.2820717 0.0000000 0.0000000 0.0000000 -0.0383787 2 Cu 1.6518932 0.0000000 0.0000000 0.0000000 0.2820717 0.0000000 0.0000000 0.0000000 -0.0383787 3 Se -8.3808001 0.0000000 0.0000000 0.0000000 -2.5224063 -0.1710205 0.0000000 -0.7590397 -2.2201287 4 Se -8.3808001 0.0000000 0.0000000 0.0000000 -2.5224063 -0.1710205 0.0000000 -0.7590397 -2.2201287 5 Se -8.3808001 0.0000000 0.0000000 0.0000000 -2.5224063 0.1710205 0.0000000 0.7590397 -2.2201287 6 Se -8.3808001 0.0000000 0.0000000 0.0000000 -2.5224063 0.1710205 0.0000000 0.7590397 -2.2201287 7 Se 0.1933144 0.0000000 0.0000000 0.0000000 -1.8587987 0.0000000 0.0000000 0.0000000 -6.5756962 8 Se 0.1933144 0.0000000 0.0000000 0.0000000 -1.8587987 0.0000000 0.0000000 0.0000000 -6.5756962 9 Hf 12.7198334 0.0000000 0.0000000 0.0000000 3.2950159 0.4411207 0.0000000 0.0592815 8.8230478 10 Hf 12.7198334 0.0000000 0.0000000 0.0000000 3.2950159 -0.4411207 0.0000000 -0.0592815 8.8230478 11 Tl 2.1965592 0.0000000 0.0000000 0.0000000 3.3265238 0.0000000 0.0000000 0.0000000 2.2312845 12 Tl 2.1965592 0.0000000 0.0000000 0.0000000 3.3265238 0.0000000 0.0000000 0.0000000 2.2312845 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 14 14 5 ] 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: 0.64, Number of G-points: 307, Lambda: 0.31 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: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.865 ( 0.000 0.000 0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.155 ( 0.000 0.000 0.000) 0.000 1.261 ( 0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 1.368 ( 0.000 0.000 0.000) 0.000 1.453 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.698 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 5.985 ( 0.000 0.000 0.000) 0.000 6.321 ( 0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 13.934 -1.780 0.000) 14.047 0.296 ( 16.045 -0.439 0.000) 16.051 0.681 ( 27.477 -5.390 0.000) 28.001 0.871 ( 0.639 -0.352 0.000) 0.729 1.043 ( 4.452 0.980 0.000) 4.558 1.203 ( -3.730 0.978 0.000) 3.856 1.236 ( 0.506 0.166 0.000) 0.533 1.372 ( 13.699 0.768 0.000) 13.721 1.570 ( 18.292 2.185 0.000) 18.422 1.636 ( -3.762 0.600 0.000) 3.810 1.675 ( 16.138 0.155 0.000) 16.138 1.691 ( 2.754 -1.973 0.000) 3.388 1.983 ( 3.981 -0.876 0.000) 4.077 1.997 ( 8.269 0.375 0.000) 8.278 2.126 ( 0.505 0.007 0.000) 0.505 2.535 ( 13.360 0.032 0.000) 13.360 2.593 ( -1.085 -1.031 0.000) 1.496 2.648 ( 22.153 0.450 0.000) 22.158 3.646 ( -6.468 0.066 0.000) 6.469 4.141 ( -1.162 0.180 0.000) 1.175 4.248 ( 9.501 1.072 0.000) 9.561 4.435 ( 3.751 -0.151 0.000) 3.754 4.686 ( -1.148 0.067 0.000) 1.150 4.971 ( -0.207 6.823 0.000) 6.826 4.994 ( -3.079 0.214 0.000) 3.086 5.209 ( -3.156 0.017 0.000) 3.156 5.368 ( 4.385 16.098 0.000) 16.685 5.450 ( 0.120 -1.385 0.000) 1.391 5.492 ( 2.996 4.179 0.000) 5.142 5.559 ( -4.435 -5.109 0.000) 6.765 5.630 ( -1.649 0.218 0.000) 1.664 5.959 ( 0.277 0.491 0.000) 0.564 5.990 ( 0.620 0.019 0.000) 0.620 6.314 ( -4.726 -7.414 0.000) 8.792 6.386 ( -1.635 0.100 0.000) 1.639 6.396 ( -1.532 -0.028 0.000) 1.532 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 13.215 -0.654 0.000) 13.231 0.605 ( 16.957 2.363 0.000) 17.121 0.894 ( 1.797 0.201 0.000) 1.808 1.052 ( 9.383 -3.237 0.000) 9.925 1.130 ( -3.344 0.596 0.000) 3.396 1.132 ( 5.694 1.594 0.000) 5.913 1.224 ( 1.568 -0.835 0.000) 1.777 1.569 ( -0.944 1.455 0.000) 1.734 1.733 ( 17.474 -0.536 0.000) 17.482 1.750 ( 5.034 0.364 0.000) 5.047 1.973 ( 20.464 0.769 0.000) 20.478 2.071 ( 23.841 1.652 0.000) 23.898 2.089 ( 6.403 -1.918 0.000) 6.685 2.149 ( 6.473 1.013 0.000) 6.552 2.172 ( 6.628 -0.998 0.000) 6.703 2.518 ( -3.130 -0.159 0.000) 3.134 2.576 ( -1.421 -1.680 0.000) 2.200 3.384 ( 40.581 0.639 0.000) 40.586 3.523 ( -5.395 -0.271 0.000) 5.401 4.117 ( -1.245 0.258 0.000) 1.271 4.430 ( 8.722 0.695 0.000) 8.750 4.505 ( 2.730 -0.533 0.000) 2.781 4.661 ( -1.157 0.031 0.000) 1.157 4.909 ( -4.188 2.272 0.000) 4.765 4.919 ( -4.312 0.643 0.000) 4.360 5.130 ( -4.894 0.026 0.000) 4.894 5.343 ( -1.886 4.626 0.000) 4.996 5.433 ( -1.052 1.026 0.000) 1.469 5.501 ( -2.678 0.358 0.000) 2.702 5.561 ( 4.037 -0.017 0.000) 4.037 5.604 ( -0.004 0.625 0.000) 0.625 5.978 ( 2.362 1.155 0.000) 2.629 6.008 ( 1.223 0.071 0.000) 1.225 6.243 ( -5.491 -3.368 0.000) 6.442 6.346 ( -2.310 0.087 0.000) 2.311 6.358 ( -2.457 -0.015 0.000) 2.457 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 9.543 -0.393 0.000) 9.551 0.897 ( 15.051 3.316 0.000) 15.412 0.937 ( 3.407 2.843 0.000) 4.437 1.087 ( -0.964 -2.739 0.000) 2.903 1.099 ( 0.407 1.698 0.000) 1.746 1.249 ( 4.382 -2.098 0.000) 4.859 1.310 ( 5.120 1.910 0.000) 5.464 1.582 ( 2.412 -1.920 0.000) 3.083 1.857 ( 6.212 -0.148 0.000) 6.213 1.966 ( 7.524 1.186 0.000) 7.617 2.172 ( 3.940 0.488 0.000) 3.970 2.272 ( 4.116 0.288 0.000) 4.126 2.275 ( 7.061 1.012 0.000) 7.133 2.315 ( 9.093 -1.371 0.000) 9.196 2.511 ( 19.562 1.051 0.000) 19.590 2.528 ( 7.967 -0.563 0.000) 7.987 2.552 ( -1.424 -1.353 0.000) 1.964 3.478 ( 0.818 -0.194 0.000) 0.841 4.055 ( 29.695 0.180 0.000) 29.695 4.094 ( -0.857 0.120 0.000) 0.866 4.526 ( -0.882 -0.873 0.000) 1.241 4.533 ( 2.242 0.767 0.000) 2.369 4.655 ( 0.993 0.078 0.000) 0.996 4.782 ( -8.587 -0.384 0.000) 8.596 4.840 ( -3.213 1.201 0.000) 3.431 5.038 ( -4.549 -0.036 0.000) 4.549 5.291 ( -1.450 -0.126 0.000) 1.456 5.413 ( -1.321 3.684 0.000) 3.914 5.428 ( -3.155 -0.780 0.000) 3.250 5.619 ( 2.744 1.151 0.000) 2.976 5.654 ( 4.112 -0.592 0.000) 4.154 6.033 ( 3.977 1.728 0.000) 4.336 6.035 ( 1.703 0.081 0.000) 1.705 6.151 ( -5.254 -1.509 0.000) 5.466 6.304 ( -2.113 0.131 0.000) 2.117 6.310 ( -2.229 -0.179 0.000) 2.236 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 2.604 -0.538 0.000) 2.659 0.972 ( 1.180 1.660 0.000) 2.037 1.110 ( 3.766 1.240 0.000) 3.965 1.133 ( 9.276 2.289 0.000) 9.555 1.160 ( 6.599 -2.850 0.000) 7.188 1.317 ( 1.908 -0.414 0.000) 1.952 1.359 ( 2.309 3.900 0.000) 4.533 1.653 ( 2.619 -3.902 0.000) 4.699 1.957 ( 2.723 -0.027 0.000) 2.723 2.062 ( 4.502 1.760 0.000) 4.834 2.203 ( 0.664 0.824 0.000) 1.058 2.222 ( -5.227 0.505 0.000) 5.251 2.333 ( -0.440 -0.763 0.000) 0.881 2.484 ( -1.601 0.668 0.000) 1.735 2.526 ( 7.720 -0.976 0.000) 7.782 2.740 ( 10.617 0.353 0.000) 10.623 2.820 ( 12.588 0.883 0.000) 12.618 3.549 ( 6.059 0.077 0.000) 6.060 4.081 ( -0.276 -0.142 0.000) 0.311 4.479 ( 14.438 -0.414 0.000) 14.444 4.494 ( -2.397 -1.102 0.000) 2.638 4.510 ( -3.550 1.231 0.000) 3.757 4.616 ( -8.631 -1.008 0.000) 8.689 4.726 ( 7.468 0.318 0.000) 7.475 4.795 ( -0.659 1.731 0.000) 1.853 4.961 ( -3.759 -0.126 0.000) 3.761 5.295 ( 0.883 -0.464 0.000) 0.998 5.318 ( -4.558 1.312 0.000) 4.743 5.439 ( 1.847 -1.187 0.000) 2.196 5.667 ( 2.703 1.183 0.000) 2.950 5.720 ( 2.135 -0.726 0.000) 2.254 6.060 ( -2.741 0.243 0.000) 2.751 6.070 ( 2.038 -0.038 0.000) 2.038 6.112 ( 3.419 1.420 0.000) 3.702 6.260 ( -2.261 0.081 0.000) 2.262 6.288 ( -0.509 -0.317 0.000) 0.600 ======================= Grid point 5 (6/171) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.408 0.144 0.000) 0.433 0.976 ( -0.758 -1.816 0.000) 1.968 1.166 ( 3.067 0.588 0.000) 3.123 1.247 ( 0.310 1.261 0.000) 1.299 1.300 ( 6.063 -1.146 0.000) 6.170 1.320 ( 2.125 4.875 0.000) 5.318 1.396 ( 2.480 -0.568 0.000) 2.544 1.694 ( -0.661 -4.119 0.000) 4.172 1.896 ( -8.030 1.455 0.000) 8.161 2.118 ( -4.919 0.413 0.000) 4.936 2.129 ( 3.347 1.737 0.000) 3.771 2.254 ( 4.716 0.307 0.000) 4.726 2.273 ( -4.372 0.041 0.000) 4.372 2.424 ( -2.786 1.008 0.000) 2.963 2.672 ( 5.909 -0.014 0.000) 5.909 2.887 ( 5.432 0.739 0.000) 5.482 2.991 ( 6.275 0.378 0.000) 6.287 3.677 ( 6.913 0.169 0.000) 6.915 4.084 ( 0.258 -0.401 0.000) 0.477 4.426 ( -4.158 0.820 0.000) 4.238 4.462 ( -1.222 -0.871 0.000) 1.501 4.477 ( -6.077 -0.282 0.000) 6.083 4.656 ( 6.616 0.027 0.000) 6.616 4.796 ( 1.537 1.922 0.000) 2.461 4.889 ( 4.253 -0.185 0.000) 4.257 4.900 ( 0.500 -0.314 0.000) 0.590 5.212 ( -4.675 1.311 0.000) 4.855 5.353 ( 3.448 -1.567 0.000) 3.787 5.498 ( 3.206 -2.151 0.000) 3.861 5.698 ( 0.627 0.695 0.000) 0.936 5.731 ( -1.014 -0.019 0.000) 1.014 6.026 ( -0.354 0.345 0.000) 0.495 6.111 ( 2.177 -0.152 0.000) 2.183 6.172 ( 3.161 1.518 0.000) 3.507 6.222 ( -1.643 0.015 0.000) 1.643 6.288 ( 0.212 -0.384 0.000) 0.439 ======================= Grid point 6 (7/171) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -1.253 -0.062 0.000) 1.255 0.963 ( -1.314 -1.890 0.000) 2.301 1.110 ( -7.310 4.204 0.000) 8.432 1.249 ( 2.198 -0.687 0.000) 2.303 1.335 ( -0.504 -0.149 0.000) 0.525 1.376 ( 1.499 -0.273 0.000) 1.523 1.451 ( 2.939 0.980 0.000) 3.098 1.680 ( -2.077 -3.549 0.000) 4.112 1.733 ( -6.271 1.648 0.000) 6.484 2.042 ( -2.778 0.158 0.000) 2.782 2.158 ( 1.466 2.036 0.000) 2.509 2.246 ( 1.229 0.551 0.000) 1.347 2.337 ( 3.468 0.049 0.000) 3.468 2.360 ( -3.533 0.363 0.000) 3.551 2.747 ( 2.301 0.326 0.000) 2.324 2.950 ( 1.930 0.536 0.000) 2.003 3.069 ( 2.495 0.008 0.000) 2.495 3.784 ( 4.114 0.128 0.000) 4.116 4.088 ( -0.026 -0.356 0.000) 0.357 4.343 ( -3.482 1.374 0.000) 3.743 4.414 ( -1.509 -1.015 0.000) 1.818 4.458 ( 0.237 -0.414 0.000) 0.477 4.762 ( 4.521 0.318 0.000) 4.533 4.824 ( 1.935 1.388 0.000) 2.381 4.849 ( -1.777 -0.086 0.000) 1.779 4.993 ( 2.659 -0.618 0.000) 2.730 5.132 ( -3.137 0.428 0.000) 3.166 5.437 ( 4.423 -1.550 0.000) 4.687 5.562 ( 1.622 -1.430 0.000) 2.162 5.670 ( -2.072 0.004 0.000) 2.072 5.713 ( -0.841 1.012 0.000) 1.316 6.032 ( 0.712 0.184 0.000) 0.736 6.149 ( 1.576 -0.104 0.000) 1.579 6.199 ( -0.847 -0.016 0.000) 0.847 6.212 ( 1.682 0.885 0.000) 1.901 6.294 ( 0.160 -0.293 0.000) 0.334 ======================= Grid point 7 (8/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 0.000 -0.000 0.000) 0.000 0.955 ( 0.000 0.000 0.000) 0.000 1.005 ( 0.000 -0.000 0.000) 0.000 1.275 ( 0.000 -0.000 0.000) 0.000 1.325 ( 0.000 -0.000 0.000) 0.000 1.382 ( 0.000 -0.000 0.000) 0.000 1.479 ( 0.000 -0.000 0.000) 0.000 1.669 ( 0.000 -0.000 0.000) 0.000 1.673 ( 0.000 -0.000 0.000) 0.000 2.015 ( 0.000 -0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.261 ( 0.000 -0.000 0.000) 0.000 2.315 ( -0.000 -0.000 0.000) 0.000 2.371 ( 0.000 -0.000 0.000) 0.000 2.766 ( -0.000 -0.000 0.000) 0.000 2.965 ( 0.000 -0.000 0.000) 0.000 3.092 ( 0.000 -0.000 0.000) 0.000 3.823 ( 0.000 -0.000 0.000) 0.000 4.088 ( -0.000 0.000 0.000) 0.000 4.305 ( 0.000 -0.000 0.000) 0.000 4.405 ( 0.000 -0.000 0.000) 0.000 4.463 ( 0.000 -0.000 0.000) 0.000 4.805 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 -0.000 0.000) 0.000 4.841 ( -0.000 -0.000 0.000) 0.000 5.015 ( 0.000 -0.000 0.000) 0.000 5.099 ( 0.000 -0.000 0.000) 0.000 5.517 ( 0.000 -0.000 0.000) 0.000 5.541 ( -0.000 -0.000 0.000) 0.000 5.677 ( 0.000 -0.000 0.000) 0.000 5.682 ( -0.000 0.000 0.000) 0.000 6.039 ( 0.000 -0.000 0.000) 0.000 6.165 ( 0.000 -0.000 0.000) 0.000 6.191 ( 0.000 -0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 16 (9/171) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 13.522 0.000 0.000) 13.522 0.619 ( 17.279 0.000 0.000) 17.279 0.896 ( 2.167 0.000 0.000) 2.167 1.033 ( 11.400 0.000 0.000) 11.400 1.133 ( -3.932 -0.000 0.000) 3.932 1.142 ( 5.237 0.000 0.000) 5.237 1.219 ( 0.936 0.000 0.000) 0.936 1.576 ( -1.996 -0.000 0.000) 1.996 1.730 ( 18.225 0.000 0.000) 18.225 1.752 ( 4.633 0.000 0.000) 4.633 1.978 ( 21.678 0.000 0.000) 21.678 2.079 ( 5.902 0.000 0.000) 5.902 2.080 ( 24.506 0.000 0.000) 24.506 2.158 ( 3.838 0.000 0.000) 3.838 2.163 ( 8.402 0.000 0.000) 8.402 2.517 ( -3.186 -0.000 0.000) 3.186 2.567 ( -1.293 -0.000 0.000) 1.293 3.387 ( 40.446 0.000 0.000) 40.446 3.522 ( -5.404 -0.000 0.000) 5.404 4.118 ( -1.281 -0.000 0.000) 1.281 4.433 ( 8.496 0.000 0.000) 8.496 4.502 ( 2.698 0.000 0.000) 2.698 4.661 ( -1.186 -0.000 0.000) 1.186 4.920 ( -5.309 -0.000 0.000) 5.309 4.922 ( -4.248 -0.000 0.000) 4.248 5.130 ( -4.901 -0.000 0.000) 4.901 5.366 ( -5.486 -0.000 0.000) 5.486 5.438 ( 0.262 0.000 0.000) 0.262 5.503 ( -2.127 -0.000 0.000) 2.127 5.561 ( 3.829 0.000 0.000) 3.829 5.607 ( -0.014 -0.000 0.000) 0.014 5.984 ( 2.433 0.000 0.000) 2.433 6.008 ( 1.229 0.000 0.000) 1.229 6.224 ( -4.445 -0.000 0.000) 4.445 6.346 ( -2.333 -0.000 0.000) 2.333 6.357 ( -2.458 -0.000 0.000) 2.458 ======================= Grid point 17 (10/171) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 9.345 -0.220 0.000) 9.348 0.922 ( 14.738 1.457 0.000) 14.810 0.962 ( 5.487 1.696 0.000) 5.743 1.063 ( -3.237 -1.599 0.000) 3.611 1.111 ( 0.438 0.678 0.000) 0.807 1.231 ( 3.845 -1.109 0.000) 4.002 1.325 ( 7.392 0.837 0.000) 7.439 1.568 ( 0.973 -0.804 0.000) 1.262 1.856 ( 6.163 -0.026 0.000) 6.163 1.974 ( 7.828 0.402 0.000) 7.839 2.176 ( 3.788 0.204 0.000) 3.794 2.273 ( 4.638 0.071 0.000) 4.638 2.286 ( 6.246 1.178 0.000) 6.356 2.301 ( 9.356 -1.299 0.000) 9.445 2.520 ( 19.986 0.570 0.000) 19.995 2.524 ( 8.160 -0.214 0.000) 8.163 2.542 ( -1.350 -0.662 0.000) 1.503 3.476 ( 0.936 -0.069 0.000) 0.938 4.056 ( 29.552 0.067 0.000) 29.552 4.095 ( -1.074 0.042 0.000) 1.075 4.520 ( -0.917 -0.304 0.000) 0.966 4.539 ( 2.438 0.285 0.000) 2.454 4.655 ( 1.085 0.019 0.000) 1.085 4.780 ( -9.222 -0.121 0.000) 9.223 4.848 ( -3.106 0.452 0.000) 3.139 5.038 ( -4.583 -0.013 0.000) 4.583 5.289 ( -2.121 -0.115 0.000) 2.124 5.422 ( -2.038 -0.286 0.000) 2.058 5.439 ( -3.333 1.284 0.000) 3.571 5.632 ( 3.096 1.381 0.000) 3.391 5.645 ( 3.742 -1.091 0.000) 3.898 6.036 ( 1.675 0.029 0.000) 1.676 6.046 ( 4.077 0.789 0.000) 4.152 6.139 ( -4.666 -0.740 0.000) 4.724 6.306 ( -1.882 0.109 0.000) 1.885 6.309 ( -2.518 -0.126 0.000) 2.521 ======================= Grid point 18 (11/171) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 3.027 -0.295 0.000) 3.041 0.987 ( -1.489 1.318 0.000) 1.988 1.122 ( 2.178 0.994 0.000) 2.394 1.135 ( 8.352 -1.995 0.000) 8.587 1.150 ( 9.192 1.036 0.000) 9.250 1.297 ( 2.482 -1.981 0.000) 3.176 1.413 ( 3.407 5.238 0.000) 6.249 1.615 ( 2.134 -3.629 0.000) 4.210 1.958 ( 3.055 0.031 0.000) 3.055 2.076 ( 4.523 1.043 0.000) 4.641 2.209 ( 0.690 0.490 0.000) 0.846 2.226 ( -5.316 0.225 0.000) 5.321 2.327 ( -1.032 -0.535 0.000) 1.162 2.491 ( -1.272 0.677 0.000) 1.441 2.516 ( 8.585 -0.898 0.000) 8.632 2.743 ( 10.900 0.188 0.000) 10.902 2.828 ( 12.378 0.550 0.000) 12.391 3.549 ( 6.138 0.049 0.000) 6.138 4.080 ( -0.400 -0.080 0.000) 0.408 4.476 ( 14.426 -0.223 0.000) 14.427 4.486 ( -2.303 -0.607 0.000) 2.382 4.519 ( -3.955 0.645 0.000) 4.007 4.609 ( -8.061 -0.476 0.000) 8.075 4.728 ( 7.344 0.164 0.000) 7.346 4.809 ( -0.592 1.020 0.000) 1.179 4.960 ( -3.772 -0.070 0.000) 3.773 5.287 ( 1.383 -0.686 0.000) 1.544 5.331 ( -5.476 1.035 0.000) 5.573 5.430 ( 1.177 -0.638 0.000) 1.339 5.680 ( 2.546 1.308 0.000) 2.862 5.711 ( 2.152 -1.041 0.000) 2.391 6.061 ( -2.972 0.104 0.000) 2.974 6.070 ( 1.975 -0.021 0.000) 1.975 6.124 ( 3.904 0.808 0.000) 3.986 6.260 ( -2.301 0.054 0.000) 2.302 6.285 ( -0.528 -0.185 0.000) 0.559 ======================= Grid point 19 (12/171) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.475 0.125 0.000) 0.491 0.960 ( -1.428 -1.316 0.000) 1.942 1.168 ( 3.061 0.051 0.000) 3.061 1.254 ( 1.069 0.281 0.000) 1.105 1.290 ( 6.588 -0.764 0.000) 6.632 1.343 ( 1.382 -0.082 0.000) 1.384 1.425 ( 1.958 5.560 0.000) 5.895 1.651 ( -0.957 -4.512 0.000) 4.612 1.909 ( -7.474 1.012 0.000) 7.542 2.121 ( -5.079 0.260 0.000) 5.086 2.147 ( 3.577 1.738 0.000) 3.977 2.256 ( 4.467 0.217 0.000) 4.472 2.266 ( -4.255 -1.166 0.000) 4.412 2.437 ( -2.666 1.255 0.000) 2.946 2.672 ( 6.245 -0.012 0.000) 6.245 2.894 ( 5.420 0.510 0.000) 5.444 2.994 ( 6.000 0.291 0.000) 6.007 3.678 ( 6.862 0.074 0.000) 6.862 4.080 ( 0.214 -0.276 0.000) 0.350 4.429 ( -4.181 -0.082 0.000) 4.182 4.455 ( -0.991 -0.602 0.000) 1.159 4.479 ( -6.023 0.520 0.000) 6.045 4.656 ( 6.841 0.008 0.000) 6.841 4.813 ( 1.385 1.373 0.000) 1.950 4.887 ( 5.588 -0.062 0.000) 5.589 4.897 ( -1.086 -0.280 0.000) 1.122 5.223 ( -5.185 0.933 0.000) 5.268 5.340 ( 3.585 -0.943 0.000) 3.707 5.479 ( 3.161 -1.615 0.000) 3.550 5.705 ( 0.111 0.715 0.000) 0.724 5.729 ( -0.348 -0.389 0.000) 0.522 6.028 ( -0.393 0.212 0.000) 0.447 6.110 ( 2.169 -0.104 0.000) 2.171 6.185 ( 2.916 1.092 0.000) 3.114 6.222 ( -1.667 0.015 0.000) 1.667 6.285 ( 0.227 -0.270 0.000) 0.353 ======================= Grid point 20 (13/171) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -1.294 0.097 0.000) 1.298 0.944 ( -0.817 -1.738 0.000) 1.920 1.150 ( -7.742 3.498 0.000) 8.496 1.240 ( 2.057 -1.046 0.000) 2.308 1.346 ( 0.094 2.460 0.000) 2.462 1.374 ( 1.875 -0.225 0.000) 1.888 1.460 ( 2.486 0.784 0.000) 2.606 1.635 ( -2.273 -5.347 0.000) 5.810 1.749 ( -6.692 1.515 0.000) 6.861 2.043 ( -2.949 -0.000 0.000) 2.949 2.175 ( 0.676 1.382 0.000) 1.538 2.244 ( 1.076 -0.643 0.000) 1.253 2.337 ( 3.422 0.043 0.000) 3.422 2.375 ( -2.854 2.184 0.000) 3.593 2.750 ( 2.186 0.186 0.000) 2.194 2.955 ( 1.691 0.397 0.000) 1.737 3.069 ( 2.393 -0.036 0.000) 2.393 3.785 ( 3.982 -0.080 0.000) 3.983 4.085 ( 0.099 -0.280 0.000) 0.297 4.354 ( -3.845 0.973 0.000) 3.966 4.406 ( -1.303 -0.602 0.000) 1.436 4.454 ( 0.476 -0.316 0.000) 0.571 4.765 ( 4.536 0.259 0.000) 4.544 4.836 ( 1.409 1.109 0.000) 1.793 4.849 ( -1.772 -0.076 0.000) 1.773 4.987 ( 2.774 -0.505 0.000) 2.819 5.135 ( -3.517 0.300 0.000) 3.530 5.424 ( 4.652 -0.929 0.000) 4.744 5.549 ( 2.852 -1.126 0.000) 3.066 5.669 ( -2.723 -0.157 0.000) 2.727 5.721 ( -0.736 0.629 0.000) 0.969 6.033 ( 0.613 0.132 0.000) 0.627 6.148 ( 1.629 -0.083 0.000) 1.631 6.199 ( -0.853 -0.013 0.000) 0.853 6.220 ( 1.281 0.759 0.000) 1.489 6.292 ( 0.266 -0.235 0.000) 0.355 ======================= Grid point 21 (14/171) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.464 0.687 0.000) 0.829 0.950 ( 0.735 -0.931 0.000) 1.186 1.014 ( -2.112 1.684 0.000) 2.701 1.272 ( 0.255 -0.672 0.000) 0.719 1.339 ( 0.897 2.761 0.000) 2.903 1.382 ( -0.072 0.043 0.000) 0.084 1.476 ( -0.984 -0.482 0.000) 1.096 1.648 ( 1.157 -4.133 0.000) 4.292 1.676 ( -0.792 0.431 0.000) 0.902 2.014 ( -0.126 -0.210 0.000) 0.245 2.170 ( -1.806 -1.082 0.000) 2.105 2.261 ( -0.099 -0.008 0.000) 0.100 2.332 ( 0.627 2.958 0.000) 3.023 2.371 ( -0.012 0.008 0.000) 0.014 2.765 ( -0.319 -0.264 0.000) 0.414 2.965 ( -0.322 -0.065 0.000) 0.328 3.092 ( 0.027 -0.049 0.000) 0.056 3.822 ( -0.164 -0.286 0.000) 0.330 4.088 ( 0.215 0.006 0.000) 0.215 4.305 ( -0.824 -0.021 0.000) 0.824 4.405 ( 0.665 0.094 0.000) 0.672 4.464 ( 0.213 0.038 0.000) 0.216 4.805 ( -0.239 0.087 0.000) 0.254 4.834 ( 0.002 -0.132 0.000) 0.132 4.841 ( -0.849 -0.048 0.000) 0.850 5.016 ( 0.459 0.026 0.000) 0.460 5.099 ( -0.143 -0.068 0.000) 0.159 5.514 ( 3.011 -0.446 0.000) 3.044 5.549 ( -1.604 1.524 0.000) 2.212 5.664 ( 1.645 -1.778 0.000) 2.423 5.690 ( -1.957 0.793 0.000) 2.112 6.039 ( -0.092 -0.007 0.000) 0.092 6.165 ( 0.050 0.005 0.000) 0.050 6.191 ( 0.013 -0.011 0.000) 0.017 6.226 ( -0.460 0.045 0.000) 0.462 6.297 ( 0.178 0.005 0.000) 0.178 ======================= Grid point 22 (15/171) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.891 0.171 0.000) 0.907 0.981 ( 2.264 1.662 0.000) 2.809 1.071 ( 5.609 -3.407 0.000) 6.562 1.253 ( -2.132 0.135 0.000) 2.136 1.345 ( -0.328 1.500 0.000) 1.535 1.379 ( -1.055 0.261 0.000) 1.087 1.442 ( -2.006 -0.533 0.000) 2.075 1.703 ( 3.212 0.833 0.000) 3.318 1.717 ( 5.605 -1.375 0.000) 5.771 2.040 ( 2.650 -0.321 0.000) 2.669 2.136 ( -1.440 -2.178 0.000) 2.611 2.235 ( -2.310 -1.396 0.000) 2.699 2.336 ( -3.521 -0.043 0.000) 3.521 2.368 ( 3.447 1.712 0.000) 3.849 2.743 ( -2.312 -0.463 0.000) 2.357 2.944 ( -2.170 -0.580 0.000) 2.247 3.069 ( -2.583 -0.045 0.000) 2.584 3.782 ( -4.187 -0.369 0.000) 4.203 4.092 ( 0.164 0.364 0.000) 0.399 4.328 ( 2.918 -1.438 0.000) 3.253 4.425 ( 1.919 1.187 0.000) 2.256 4.462 ( 0.012 0.436 0.000) 0.436 4.758 ( -4.527 -0.316 0.000) 4.538 4.810 ( -2.488 -1.400 0.000) 2.855 4.850 ( 1.828 0.079 0.000) 1.830 4.999 ( -2.552 0.605 0.000) 2.623 5.127 ( 2.761 -0.467 0.000) 2.800 5.455 ( -4.184 2.009 0.000) 4.641 5.577 ( -0.366 1.618 0.000) 1.659 5.668 ( 1.303 -0.350 0.000) 1.350 5.701 ( 1.010 -1.343 0.000) 1.680 6.030 ( -0.834 -0.204 0.000) 0.859 6.150 ( -1.517 0.105 0.000) 1.520 6.199 ( 0.847 0.016 0.000) 0.847 6.203 ( -2.109 -0.815 0.000) 2.261 6.297 ( -0.046 0.293 0.000) 0.296 ======================= Grid point 23 (16/171) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -0.290 -0.138 0.000) 0.321 0.995 ( -0.104 1.925 0.000) 1.928 1.151 ( -1.571 -2.931 0.000) 3.325 1.229 ( 0.739 -2.147 0.000) 2.271 1.272 ( -7.244 -3.876 0.000) 8.216 1.312 ( -5.421 1.334 0.000) 5.583 1.418 ( -0.833 2.962 0.000) 3.077 1.732 ( 0.530 3.527 0.000) 3.566 1.881 ( 8.704 -1.605 0.000) 8.851 2.113 ( 4.747 -0.509 0.000) 4.774 2.114 ( -3.406 -1.314 0.000) 3.651 2.250 ( -5.019 -0.333 0.000) 5.031 2.262 ( 5.313 -2.118 0.000) 5.720 2.419 ( 2.330 0.067 0.000) 2.331 2.673 ( -5.515 0.021 0.000) 5.515 2.879 ( -5.440 -0.824 0.000) 5.502 2.987 ( -6.543 -0.359 0.000) 6.553 3.675 ( -6.899 -0.267 0.000) 6.904 4.088 ( -0.316 0.449 0.000) 0.549 4.413 ( 4.393 -1.700 0.000) 4.710 4.471 ( 1.513 0.969 0.000) 1.797 4.486 ( 5.897 1.259 0.000) 6.030 4.655 ( -6.344 -0.051 0.000) 6.344 4.776 ( -1.705 -2.106 0.000) 2.709 4.891 ( -3.219 0.302 0.000) 3.233 4.903 ( -1.839 0.260 0.000) 1.858 5.198 ( 4.063 -1.403 0.000) 4.298 5.371 ( -3.378 2.051 0.000) 3.952 5.520 ( -3.343 2.173 0.000) 3.987 5.691 ( -0.877 -0.664 0.000) 1.100 5.729 ( 1.568 -0.424 0.000) 1.624 6.022 ( 0.288 -0.437 0.000) 0.523 6.113 ( -2.188 0.170 0.000) 2.194 6.156 ( -3.467 -1.587 0.000) 3.813 6.222 ( 1.615 -0.010 0.000) 1.615 6.292 ( -0.195 0.419 0.000) 0.463 ======================= Grid point 24 (17/171) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -1.976 0.685 0.000) 2.091 0.956 ( -3.649 -1.437 0.000) 3.922 1.097 ( -9.106 -1.861 0.000) 9.295 1.105 ( -5.472 -2.856 0.000) 6.172 1.189 ( -5.495 2.858 0.000) 6.194 1.276 ( -0.389 -5.894 0.000) 5.906 1.369 ( -2.570 3.185 0.000) 4.093 1.690 ( -2.965 3.327 0.000) 4.457 1.958 ( -2.176 0.202 0.000) 2.185 2.042 ( -4.693 -2.136 0.000) 5.157 2.194 ( -0.659 -0.958 0.000) 1.163 2.216 ( 5.127 -0.789 0.000) 5.187 2.341 ( 0.004 0.718 0.000) 0.718 2.478 ( 2.990 -0.591 0.000) 3.048 2.535 ( -7.577 0.823 0.000) 7.622 2.736 ( -10.237 -0.468 0.000) 10.248 2.811 ( -12.855 -0.916 0.000) 12.887 3.548 ( -5.933 -0.073 0.000) 5.933 4.083 ( 0.098 0.175 0.000) 0.201 4.484 ( -14.452 0.521 0.000) 14.462 4.496 ( 3.284 -1.583 0.000) 3.646 4.507 ( 2.569 1.415 0.000) 2.933 4.629 ( 9.171 1.493 0.000) 9.291 4.722 ( -7.683 -0.445 0.000) 7.696 4.776 ( 0.811 -2.036 0.000) 2.192 4.962 ( 3.739 0.158 0.000) 3.742 5.282 ( 2.473 -2.679 0.000) 3.646 5.320 ( 0.044 1.426 0.000) 1.426 5.452 ( -2.488 1.389 0.000) 2.850 5.657 ( -2.731 -0.841 0.000) 2.857 5.726 ( -2.144 0.284 0.000) 2.163 6.056 ( 2.121 -0.412 0.000) 2.161 6.071 ( -2.129 0.049 0.000) 2.129 6.097 ( -2.466 -1.687 0.000) 2.988 6.259 ( 2.219 -0.081 0.000) 2.220 6.291 ( 0.467 0.376 0.000) 0.599 ======================= Grid point 25 (18/171) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -10.137 -0.191 0.000) 10.139 0.863 ( -14.849 -3.235 0.000) 15.197 0.912 ( -1.744 -1.966 0.000) 2.628 1.079 ( -0.606 -2.096 0.000) 2.182 1.113 ( -0.872 2.431 0.000) 2.583 1.257 ( -4.217 -1.413 0.000) 4.447 1.299 ( -3.392 0.589 0.000) 3.443 1.603 ( -4.041 2.189 0.000) 4.596 1.860 ( -6.269 0.395 0.000) 6.282 1.950 ( -7.076 -1.933 0.000) 7.335 2.167 ( -4.079 -0.478 0.000) 4.107 2.266 ( -7.445 -0.586 0.000) 7.468 2.267 ( -3.359 -0.646 0.000) 3.420 2.328 ( -9.553 1.243 0.000) 9.634 2.500 ( -20.049 -1.180 0.000) 20.083 2.534 ( -7.592 0.722 0.000) 7.627 2.568 ( 2.801 1.691 0.000) 3.272 3.480 ( -0.616 0.281 0.000) 0.677 4.053 ( -30.030 -0.240 0.000) 30.031 4.093 ( 0.549 -0.181 0.000) 0.578 4.524 ( -1.824 -1.005 0.000) 2.082 4.537 ( 0.828 1.330 0.000) 1.567 4.654 ( -0.839 -0.191 0.000) 0.861 4.787 ( 7.287 0.498 0.000) 7.304 4.826 ( 3.467 -1.335 0.000) 3.715 5.039 ( 4.489 0.052 0.000) 4.490 5.288 ( -0.267 -1.315 0.000) 1.342 5.369 ( 0.801 -4.510 0.000) 4.581 5.439 ( 2.648 1.228 0.000) 2.919 5.610 ( -2.284 -0.619 0.000) 2.366 5.657 ( -4.491 0.156 0.000) 4.494 6.014 ( -3.890 -1.954 0.000) 4.353 6.034 ( -1.753 -0.116 0.000) 1.757 6.166 ( 6.277 1.456 0.000) 6.443 6.303 ( 2.222 -0.103 0.000) 2.225 6.312 ( 2.015 0.173 0.000) 2.023 ======================= Grid point 26 (19/171) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -12.419 0.512 0.000) 12.429 0.585 ( -15.193 -1.089 0.000) 15.232 0.893 ( -0.901 0.022 0.000) 0.901 1.076 ( -2.580 0.271 0.000) 2.594 1.122 ( 1.788 -1.114 0.000) 2.107 1.126 ( -9.194 1.421 0.000) 9.303 1.231 ( -2.633 0.396 0.000) 2.662 1.550 ( -1.559 -2.232 0.000) 2.722 1.739 ( -15.865 0.579 0.000) 15.875 1.747 ( -5.803 -0.204 0.000) 5.806 1.964 ( -18.606 -1.086 0.000) 18.638 2.050 ( -22.721 -2.440 0.000) 22.852 2.113 ( -6.607 2.753 0.000) 7.158 2.140 ( -8.228 -0.813 0.000) 8.268 2.180 ( -6.550 0.680 0.000) 6.585 2.520 ( 2.966 0.298 0.000) 2.981 2.599 ( 1.766 2.853 0.000) 3.355 3.374 ( -40.960 -1.148 0.000) 40.976 3.527 ( 5.388 0.510 0.000) 5.412 4.113 ( 1.145 -0.450 0.000) 1.230 4.420 ( -9.497 -1.171 0.000) 9.568 4.512 ( -2.825 1.001 0.000) 2.997 4.660 ( 1.078 -0.116 0.000) 1.084 4.873 ( 0.154 -5.248 0.000) 5.250 4.910 ( 4.498 -1.043 0.000) 4.617 5.129 ( 4.874 -0.045 0.000) 4.874 5.280 ( -3.676 -7.419 0.000) 8.280 5.418 ( 3.459 -1.692 0.000) 3.851 5.499 ( 2.810 0.189 0.000) 2.817 5.561 ( -4.516 -0.087 0.000) 4.516 5.598 ( 0.173 -0.541 0.000) 0.568 5.965 ( -2.013 -1.379 0.000) 2.440 6.007 ( -1.207 -0.125 0.000) 1.213 6.283 ( 7.488 4.304 0.000) 8.637 6.345 ( 2.253 -0.109 0.000) 2.256 6.358 ( 2.445 -0.021 0.000) 2.445 ======================= Grid point 27 (20/171) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -11.544 4.008 0.000) 12.220 0.324 ( -10.646 6.035 0.000) 12.237 0.771 ( -23.675 11.514 0.000) 26.326 0.878 ( -0.320 1.078 0.000) 1.125 1.025 ( -4.829 -2.353 0.000) 5.372 1.183 ( 3.541 -2.973 0.000) 4.623 1.231 ( 0.289 -1.026 0.000) 1.066 1.358 ( -14.553 -1.919 0.000) 14.679 1.541 ( -17.568 -2.950 0.000) 17.813 1.625 ( 1.542 -1.652 0.000) 2.259 1.673 ( -13.492 -0.413 0.000) 13.498 1.717 ( -3.712 2.491 0.000) 4.471 1.990 ( -7.986 -0.958 0.000) 8.044 2.000 ( -3.928 2.574 0.000) 4.696 2.126 ( -0.684 -0.028 0.000) 0.684 2.534 ( -14.794 -0.115 0.000) 14.795 2.613 ( 1.161 2.751 0.000) 2.986 2.640 ( -20.811 -1.233 0.000) 20.847 3.644 ( 5.874 -0.229 0.000) 5.879 4.138 ( 1.140 -0.498 0.000) 1.244 4.222 ( -11.376 -4.753 0.000) 12.329 4.438 ( -3.912 0.428 0.000) 3.935 4.684 ( 1.108 -0.205 0.000) 1.127 4.797 ( -22.625 -27.896 0.000) 35.918 4.990 ( 3.186 -0.531 0.000) 3.230 5.207 ( -8.820 -10.637 0.000) 13.818 5.209 ( 3.159 -0.046 0.000) 3.160 5.456 ( -0.442 0.170 0.000) 0.473 5.474 ( -3.700 -0.797 0.000) 3.785 5.578 ( 5.027 -0.443 0.000) 5.047 5.627 ( 1.760 -0.313 0.000) 1.788 5.954 ( 0.197 -0.357 0.000) 0.408 5.990 ( -0.601 -0.049 0.000) 0.603 6.384 ( 1.596 -0.215 0.000) 1.611 6.397 ( 1.548 0.014 0.000) 1.548 6.412 ( 10.958 9.921 0.000) 14.782 ======================= Grid point 28 (21/171) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.114 ( 0.000 11.076 0.000) 11.076 0.174 ( 0.000 17.239 0.000) 17.239 0.246 ( 0.000 24.537 0.000) 24.537 0.870 ( 0.000 1.052 0.000) 1.052 0.983 ( -0.000 -3.073 0.000) 3.073 1.162 ( 0.000 1.138 0.000) 1.138 1.264 ( 0.000 0.549 0.000) 0.549 1.323 ( -0.000 -2.826 0.000) 2.826 1.338 ( -0.000 -5.725 0.000) 5.725 1.459 ( 0.000 1.184 0.000) 1.184 1.677 ( 0.000 2.246 0.000) 2.246 1.899 ( -0.000 -0.215 0.000) 0.215 1.950 ( 0.000 1.799 0.000) 1.799 2.102 ( -0.000 -4.091 0.000) 4.091 2.176 ( -0.000 -0.779 0.000) 0.779 2.210 ( 0.000 0.483 0.000) 0.483 2.290 ( 0.000 0.801 0.000) 0.801 2.609 ( -0.000 -0.133 0.000) 0.133 2.613 ( 0.000 2.002 0.000) 2.002 3.744 ( -0.000 -0.002 0.000) 0.002 4.147 ( 0.000 0.082 0.000) 0.082 4.153 ( -0.000 -0.358 0.000) 0.358 4.393 ( 0.000 0.100 0.000) 0.100 4.697 ( -0.000 -0.174 0.000) 0.174 5.024 ( -0.000 -0.286 0.000) 0.286 5.124 ( -0.000 -0.207 0.000) 0.207 5.240 ( -0.000 -0.028 0.000) 0.028 5.435 ( -0.000 -0.221 0.000) 0.221 5.448 ( -0.000 -0.031 0.000) 0.031 5.647 ( -0.000 -0.482 0.000) 0.482 5.650 ( -0.000 -1.524 0.000) 1.524 5.961 ( 0.000 0.155 0.000) 0.155 5.985 ( -0.000 -0.014 0.000) 0.014 6.401 ( -0.000 -0.218 0.000) 0.218 6.412 ( 0.000 0.056 0.000) 0.056 6.685 ( -0.000 -0.151 0.000) 0.151 ======================= Grid point 31 (22/171) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 3.176 0.000 0.000) 3.176 0.995 ( -2.948 -0.000 0.000) 2.948 1.124 ( 9.490 0.000 0.000) 9.490 1.127 ( 1.468 0.000 0.000) 1.468 1.155 ( 9.196 0.000 0.000) 9.196 1.287 ( 2.650 0.000 0.000) 2.650 1.443 ( 4.249 0.000 0.000) 4.249 1.593 ( 1.648 0.000 0.000) 1.648 1.958 ( 3.164 0.000 0.000) 3.164 2.081 ( 4.568 0.000 0.000) 4.568 2.212 ( 0.732 0.000 0.000) 0.732 2.227 ( -5.380 -0.000 0.000) 5.380 2.324 ( -1.305 -0.000 0.000) 1.305 2.495 ( -2.728 -0.000 0.000) 2.728 2.510 ( 10.492 0.000 0.000) 10.492 2.743 ( 11.005 0.000 0.000) 11.005 2.831 ( 12.299 0.000 0.000) 12.299 3.549 ( 6.164 0.000 0.000) 6.164 4.080 ( -0.444 -0.000 0.000) 0.444 4.475 ( 14.478 0.000 0.000) 14.478 4.482 ( -2.331 -0.000 0.000) 2.331 4.523 ( -4.162 -0.000 0.000) 4.162 4.607 ( -7.800 -0.000 0.000) 7.800 4.729 ( 7.304 0.000 0.000) 7.304 4.814 ( -0.572 -0.000 0.000) 0.572 4.960 ( -3.777 -0.000 0.000) 3.777 5.283 ( 1.379 0.000 0.000) 1.379 5.336 ( -5.509 -0.000 0.000) 5.509 5.427 ( 0.856 0.000 0.000) 0.856 5.689 ( 2.422 0.000 0.000) 2.422 5.704 ( 2.200 0.000 0.000) 2.200 6.062 ( -3.027 -0.000 0.000) 3.027 6.070 ( 1.952 0.000 0.000) 1.952 6.128 ( 4.054 0.000 0.000) 4.054 6.261 ( -2.320 -0.000 0.000) 2.320 6.284 ( -0.530 -0.000 0.000) 0.530 ======================= Grid point 32 (23/171) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.498 0.055 0.000) 0.502 0.951 ( -1.788 -0.487 0.000) 1.853 1.169 ( 2.811 -0.009 0.000) 2.811 1.255 ( 1.027 -0.018 0.000) 1.027 1.285 ( 6.881 -0.267 0.000) 6.886 1.339 ( 2.817 -0.311 0.000) 2.834 1.478 ( 0.743 3.828 0.000) 3.899 1.610 ( -1.314 -3.049 0.000) 3.320 1.916 ( -7.157 0.362 0.000) 7.166 2.123 ( -5.178 0.087 0.000) 5.179 2.161 ( 4.054 0.845 0.000) 4.142 2.255 ( -4.689 -0.739 0.000) 4.747 2.258 ( 4.326 0.078 0.000) 4.327 2.446 ( -2.415 0.530 0.000) 2.472 2.672 ( 6.449 -0.005 0.000) 6.449 2.897 ( 5.410 0.181 0.000) 5.413 2.996 ( 5.820 0.110 0.000) 5.821 3.679 ( 6.809 0.017 0.000) 6.809 4.078 ( 0.191 -0.098 0.000) 0.215 4.428 ( -4.296 -0.126 0.000) 4.298 4.450 ( -0.862 -0.215 0.000) 0.888 4.484 ( -5.890 0.294 0.000) 5.897 4.656 ( 6.968 0.001 0.000) 6.968 4.822 ( 1.286 0.503 0.000) 1.380 4.887 ( 7.094 0.002 0.000) 7.094 4.895 ( -2.733 -0.123 0.000) 2.736 5.230 ( -5.479 0.338 0.000) 5.489 5.334 ( 3.704 -0.308 0.000) 3.717 5.467 ( 3.147 -0.606 0.000) 3.205 5.712 ( -0.817 0.507 0.000) 0.962 5.724 ( 0.635 -0.416 0.000) 0.759 6.030 ( -0.410 0.070 0.000) 0.416 6.109 ( 2.164 -0.037 0.000) 2.165 6.193 ( 2.782 0.397 0.000) 2.810 6.223 ( -1.682 0.006 0.000) 1.682 6.283 ( 0.238 -0.097 0.000) 0.257 ======================= Grid point 33 (24/171) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.992 0.209 0.000) 1.014 0.929 ( -0.836 -1.147 0.000) 1.419 1.178 ( -7.232 2.046 0.000) 7.516 1.229 ( 2.064 -1.097 0.000) 2.338 1.372 ( 2.121 -0.126 0.000) 2.125 1.379 ( 1.679 3.486 0.000) 3.869 1.469 ( 0.834 1.321 0.000) 1.562 1.579 ( -3.245 -5.636 0.000) 6.503 1.761 ( -6.886 0.917 0.000) 6.947 2.043 ( -3.102 -0.054 0.000) 3.102 2.186 ( -0.915 0.709 0.000) 1.158 2.237 ( 2.130 -0.679 0.000) 2.235 2.338 ( 3.391 0.025 0.000) 3.391 2.396 ( -2.144 1.766 0.000) 2.778 2.751 ( 2.040 0.076 0.000) 2.041 2.958 ( 1.514 0.208 0.000) 1.528 3.069 ( 2.310 -0.042 0.000) 2.311 3.783 ( 3.855 -0.118 0.000) 3.857 4.083 ( 0.186 -0.153 0.000) 0.241 4.361 ( -3.827 0.425 0.000) 3.851 4.402 ( -1.438 -0.185 0.000) 1.450 4.452 ( 0.649 -0.169 0.000) 0.671 4.767 ( 4.561 0.146 0.000) 4.563 4.845 ( 1.024 0.616 0.000) 1.194 4.848 ( -1.796 -0.046 0.000) 1.797 4.983 ( 2.865 -0.284 0.000) 2.879 5.138 ( -3.801 0.146 0.000) 3.803 5.418 ( 4.809 -0.389 0.000) 4.825 5.540 ( 3.785 -0.643 0.000) 3.839 5.667 ( -3.190 -0.136 0.000) 3.193 5.725 ( -0.667 0.292 0.000) 0.728 6.034 ( 0.549 0.067 0.000) 0.553 6.147 ( 1.666 -0.046 0.000) 1.667 6.198 ( -0.860 -0.007 0.000) 0.860 6.226 ( 0.997 0.439 0.000) 1.090 6.290 ( 0.342 -0.131 0.000) 0.366 ======================= Grid point 34 (25/171) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.824 1.287 0.000) 1.528 0.938 ( 1.314 -1.587 0.000) 2.060 1.035 ( -3.633 2.274 0.000) 4.286 1.263 ( 0.390 -1.023 0.000) 1.095 1.379 ( 1.337 5.214 0.000) 5.382 1.383 ( -0.117 0.051 0.000) 0.128 1.470 ( -1.705 -0.584 0.000) 1.802 1.592 ( 2.020 -6.848 0.000) 7.140 1.681 ( -1.423 0.542 0.000) 1.523 2.012 ( -0.222 -0.269 0.000) 0.349 2.160 ( -2.389 -0.827 0.000) 2.528 2.261 ( -0.318 -0.026 0.000) 0.319 2.364 ( 0.642 3.129 0.000) 3.194 2.371 ( -0.021 0.010 0.000) 0.023 2.761 ( -0.605 -0.365 0.000) 0.706 2.964 ( -0.579 -0.081 0.000) 0.585 3.091 ( 0.058 -0.061 0.000) 0.085 3.818 ( -0.290 -0.357 0.000) 0.460 4.088 ( 0.387 0.007 0.000) 0.387 4.304 ( -1.479 -0.025 0.000) 1.479 4.407 ( 1.185 0.116 0.000) 1.191 4.464 ( 0.383 0.047 0.000) 0.386 4.806 ( -0.463 0.123 0.000) 0.479 4.833 ( 0.039 -0.178 0.000) 0.182 4.840 ( -1.527 -0.060 0.000) 1.528 5.016 ( 0.824 0.032 0.000) 0.825 5.098 ( -0.249 -0.083 0.000) 0.263 5.510 ( 3.921 -0.297 0.000) 3.932 5.568 ( -1.373 2.222 0.000) 2.612 5.643 ( 1.515 -2.244 0.000) 2.707 5.696 ( -2.100 0.432 0.000) 2.144 6.039 ( -0.164 -0.008 0.000) 0.164 6.165 ( 0.090 0.006 0.000) 0.091 6.191 ( 0.024 -0.014 0.000) 0.028 6.226 ( -0.829 0.055 0.000) 0.831 6.297 ( 0.321 0.007 0.000) 0.321 ======================= Grid point 35 (26/171) ======================= q-point: (-0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.358 0.197 0.000) 0.409 0.995 ( 3.415 1.175 0.000) 3.612 1.045 ( 3.305 -1.812 0.000) 3.769 1.251 ( -1.914 -0.555 0.000) 1.993 1.356 ( -3.642 0.528 0.000) 3.680 1.381 ( -0.635 0.198 0.000) 0.665 1.448 ( 0.856 1.855 0.000) 2.043 1.697 ( 5.727 -1.947 0.000) 6.049 1.706 ( 4.816 -0.893 0.000) 4.898 2.036 ( 2.591 -0.371 0.000) 2.617 2.118 ( -1.391 -1.441 0.000) 2.002 2.222 ( -3.547 -1.141 0.000) 3.726 2.336 ( -3.572 -0.031 0.000) 3.572 2.389 ( 2.732 2.199 0.000) 3.508 2.738 ( -2.210 -0.514 0.000) 2.269 2.939 ( -2.365 -0.496 0.000) 2.417 3.069 ( -2.638 -0.049 0.000) 2.639 3.778 ( -4.188 -0.463 0.000) 4.213 4.095 ( 0.290 0.297 0.000) 0.415 4.315 ( 2.373 -1.170 0.000) 2.646 4.436 ( 2.352 1.043 0.000) 2.573 4.466 ( 0.222 0.365 0.000) 0.427 4.756 ( -4.546 -0.253 0.000) 4.554 4.797 ( -2.975 -1.138 0.000) 3.185 4.851 ( 1.907 0.060 0.000) 1.908 5.004 ( -2.471 0.476 0.000) 2.516 5.123 ( 2.460 -0.393 0.000) 2.491 5.475 ( -3.970 2.017 0.000) 4.453 5.594 ( 0.709 1.750 0.000) 1.888 5.662 ( 0.476 -0.908 0.000) 1.025 5.687 ( 1.251 -1.341 0.000) 1.834 6.028 ( -0.955 -0.176 0.000) 0.971 6.151 ( -1.464 0.085 0.000) 1.466 6.196 ( -2.476 -0.601 0.000) 2.548 6.199 ( 0.852 0.013 0.000) 0.852 6.300 ( 0.052 0.234 0.000) 0.240 ======================= Grid point 36 (27/171) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.145 -0.115 0.000) 0.185 1.013 ( -0.974 1.663 0.000) 1.927 1.107 ( -0.212 -5.406 0.000) 5.411 1.213 ( -1.545 -0.900 0.000) 1.788 1.244 ( -8.134 -2.076 0.000) 8.395 1.326 ( -4.805 1.263 0.000) 4.969 1.449 ( -0.321 3.167 0.000) 3.183 1.764 ( 0.740 2.853 0.000) 2.948 1.866 ( 9.367 -1.439 0.000) 9.476 2.104 ( -3.831 -0.725 0.000) 3.899 2.108 ( 4.601 -0.506 0.000) 4.628 2.234 ( 6.718 -3.386 0.000) 7.523 2.247 ( -5.315 -0.294 0.000) 5.323 2.424 ( 1.536 0.734 0.000) 1.702 2.673 ( -5.119 0.026 0.000) 5.119 2.871 ( -5.437 -0.746 0.000) 5.488 2.984 ( -6.743 -0.265 0.000) 6.748 3.672 ( -6.804 -0.305 0.000) 6.811 4.092 ( -0.379 0.407 0.000) 0.556 4.395 ( 4.579 -1.771 0.000) 4.909 4.481 ( 1.807 0.876 0.000) 2.008 4.500 ( 5.815 1.555 0.000) 6.020 4.655 ( -6.083 -0.066 0.000) 6.083 4.755 ( -1.893 -1.940 0.000) 2.711 4.895 ( -2.203 0.367 0.000) 2.233 4.905 ( -3.155 0.146 0.000) 3.158 5.185 ( 3.472 -1.216 0.000) 3.679 5.393 ( -3.391 2.213 0.000) 4.049 5.540 ( -3.644 1.742 0.000) 4.039 5.685 ( -0.892 -0.590 0.000) 1.070 5.723 ( 2.076 -0.750 0.000) 2.207 6.017 ( 0.201 -0.441 0.000) 0.484 6.115 ( -2.198 0.154 0.000) 2.204 6.141 ( -3.765 -1.328 0.000) 3.992 6.222 ( 1.590 -0.003 0.000) 1.590 6.296 ( -0.181 0.372 0.000) 0.414 ======================= Grid point 37 (28/171) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -1.234 0.706 0.000) 1.422 0.944 ( -5.711 -1.051 0.000) 5.807 1.058 ( -10.213 -4.846 0.000) 11.304 1.093 ( -4.309 -0.480 0.000) 4.335 1.215 ( -5.031 2.389 0.000) 5.570 1.222 ( -0.239 -4.687 0.000) 4.693 1.401 ( -2.939 3.027 0.000) 4.219 1.719 ( -3.360 2.667 0.000) 4.290 1.962 ( -1.475 0.419 0.000) 1.533 2.020 ( -5.148 -2.245 0.000) 5.616 2.184 ( -0.565 -0.884 0.000) 1.049 2.207 ( 4.919 -0.987 0.000) 5.018 2.347 ( 0.096 0.581 0.000) 0.589 2.472 ( 4.570 -0.510 0.000) 4.599 2.542 ( -7.765 0.600 0.000) 7.788 2.731 ( -9.853 -0.497 0.000) 9.866 2.803 ( -13.108 -0.736 0.000) 13.128 3.547 ( -5.778 -0.046 0.000) 5.778 4.084 ( -0.098 0.173 0.000) 0.199 4.480 ( 3.257 -1.580 0.000) 3.620 4.489 ( -14.409 0.520 0.000) 14.419 4.522 ( 2.777 1.482 0.000) 3.148 4.646 ( 9.526 1.800 0.000) 9.695 4.717 ( -7.992 -0.515 0.000) 8.009 4.756 ( 1.127 -2.017 0.000) 2.311 4.964 ( 3.716 0.159 0.000) 3.719 5.252 ( 1.645 -3.165 0.000) 3.567 5.337 ( -0.977 1.841 0.000) 2.084 5.466 ( -2.955 1.163 0.000) 3.176 5.651 ( -2.610 -0.481 0.000) 2.654 5.726 ( -2.119 -0.087 0.000) 2.120 6.052 ( 0.754 -0.552 0.000) 0.935 6.071 ( -2.229 0.051 0.000) 2.230 6.080 ( -0.776 -1.557 0.000) 1.739 6.258 ( 2.184 -0.067 0.000) 2.185 6.295 ( 0.408 0.361 0.000) 0.545 ======================= Grid point 38 (29/171) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -11.032 -1.352 0.000) 11.114 0.837 ( -13.415 -1.608 0.000) 13.511 0.901 ( -0.463 -0.298 0.000) 0.551 1.059 ( -0.900 -1.942 0.000) 2.140 1.134 ( -2.325 1.766 0.000) 2.919 1.226 ( -2.091 -4.147 0.000) 4.644 1.315 ( -4.655 1.836 0.000) 5.004 1.624 ( -5.226 1.910 0.000) 5.565 1.865 ( -6.318 0.652 0.000) 6.352 1.928 ( -6.699 -2.557 0.000) 7.171 2.164 ( -4.100 -0.146 0.000) 4.103 2.258 ( -2.620 -1.090 0.000) 2.838 2.263 ( -7.738 -0.027 0.000) 7.738 2.340 ( -10.012 1.111 0.000) 10.073 2.488 ( -20.404 -1.146 0.000) 20.436 2.541 ( -7.095 0.680 0.000) 7.128 2.585 ( 4.212 1.728 0.000) 4.553 3.483 ( -0.387 0.305 0.000) 0.493 4.051 ( -30.573 -0.241 0.000) 30.574 4.091 ( 0.298 -0.210 0.000) 0.364 4.514 ( -1.168 -0.938 0.000) 1.498 4.552 ( 0.778 1.621 0.000) 1.798 4.651 ( -0.673 -0.368 0.000) 0.767 4.787 ( 4.950 -0.779 0.000) 5.011 4.820 ( 4.391 0.556 0.000) 4.426 5.039 ( 4.416 0.058 0.000) 4.416 5.250 ( -3.537 -6.291 0.000) 7.217 5.340 ( 0.950 -0.967 0.000) 1.355 5.452 ( 2.580 1.349 0.000) 2.912 5.606 ( -1.951 -0.219 0.000) 1.963 5.658 ( -4.747 -0.118 0.000) 4.748 5.995 ( -3.771 -1.831 0.000) 4.193 6.033 ( -1.814 -0.125 0.000) 1.818 6.179 ( 7.354 1.074 0.000) 7.432 6.302 ( 2.307 -0.071 0.000) 2.309 6.314 ( 1.801 0.149 0.000) 1.807 ======================= Grid point 39 (30/171) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -11.433 -0.653 0.000) 11.452 0.593 ( -11.352 2.854 0.000) 11.705 0.897 ( 0.056 0.770 0.000) 0.772 1.062 ( -0.934 -2.089 0.000) 2.288 1.109 ( -0.202 -1.370 0.000) 1.385 1.150 ( -7.137 2.090 0.000) 7.436 1.231 ( -3.584 -0.602 0.000) 3.634 1.528 ( -4.564 -1.973 0.000) 4.972 1.742 ( -14.154 0.004 0.000) 14.154 1.747 ( -6.283 0.339 0.000) 6.292 1.952 ( -17.628 -1.176 0.000) 17.667 2.027 ( -22.222 -2.117 0.000) 22.323 2.133 ( -9.589 -0.666 0.000) 9.612 2.141 ( -5.836 2.695 0.000) 6.428 2.186 ( -6.521 0.421 0.000) 6.534 2.524 ( 2.721 0.388 0.000) 2.749 2.630 ( 2.221 3.297 0.000) 3.975 3.361 ( -41.510 -1.426 0.000) 41.534 3.533 ( 5.439 0.673 0.000) 5.480 4.108 ( 1.006 -0.535 0.000) 1.139 4.408 ( -11.088 -1.207 0.000) 11.154 4.524 ( -2.984 1.345 0.000) 3.273 4.658 ( 0.978 -0.274 0.000) 1.016 4.804 ( -7.241 -8.476 0.000) 11.148 4.899 ( 4.720 -1.087 0.000) 4.843 5.129 ( 4.847 -0.051 0.000) 4.847 5.207 ( -4.560 -6.905 0.000) 8.275 5.401 ( 4.461 -1.751 0.000) 4.793 5.504 ( 2.166 0.656 0.000) 2.263 5.560 ( -4.969 -0.231 0.000) 4.975 5.593 ( 0.373 -0.401 0.000) 0.548 5.951 ( -1.469 -1.243 0.000) 1.924 6.005 ( -1.182 -0.152 0.000) 1.192 6.323 ( 9.136 3.669 0.000) 9.845 6.344 ( 2.188 -0.065 0.000) 2.189 6.357 ( 2.409 -0.096 0.000) 2.411 ======================= Grid point 40 (31/171) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -8.521 3.807 0.000) 9.333 0.417 ( -2.914 12.104 0.000) 12.449 0.890 ( -18.778 11.231 0.000) 21.880 0.893 ( 0.216 1.832 0.000) 1.844 1.003 ( -5.518 -1.351 0.000) 5.681 1.145 ( 2.651 -4.527 0.000) 5.246 1.213 ( 0.644 -2.585 0.000) 2.663 1.335 ( -14.975 -2.542 0.000) 15.189 1.518 ( -17.598 -1.402 0.000) 17.654 1.605 ( 0.214 -2.160 0.000) 2.170 1.667 ( -11.592 -0.630 0.000) 11.610 1.735 ( -3.745 0.996 0.000) 3.875 1.979 ( -7.591 -1.139 0.000) 7.676 2.032 ( -3.696 3.803 0.000) 5.303 2.125 ( -0.916 -0.068 0.000) 0.918 2.532 ( -17.956 -0.270 0.000) 17.958 2.625 ( -17.813 -1.676 0.000) 17.891 2.645 ( 1.272 3.654 0.000) 3.869 3.641 ( 4.019 -0.593 0.000) 4.063 4.128 ( -25.041 -15.947 0.000) 29.688 4.132 ( 1.091 -0.706 0.000) 1.300 4.443 ( -4.213 0.636 0.000) 4.261 4.518 ( -36.696 -22.421 0.000) 43.004 4.682 ( 1.053 -0.342 0.000) 1.107 4.984 ( 3.409 -0.553 0.000) 3.454 5.149 ( -3.607 -3.022 0.000) 4.706 5.208 ( 3.165 -0.061 0.000) 3.166 5.456 ( -0.192 -0.222 0.000) 0.294 5.468 ( -3.774 -0.459 0.000) 3.802 5.562 ( 3.795 -2.486 0.000) 4.537 5.624 ( 1.794 -0.318 0.000) 1.822 5.951 ( 0.759 -0.175 0.000) 0.779 5.990 ( -0.564 -0.064 0.000) 0.568 6.382 ( 1.549 -0.210 0.000) 1.563 6.396 ( 1.553 -0.084 0.000) 1.555 6.493 ( 12.116 6.289 0.000) 13.651 ======================= Grid point 41 (32/171) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.217 ( 0.000 9.339 0.000) 9.339 0.341 ( 0.000 16.209 0.000) 16.209 0.487 ( 0.000 23.766 0.000) 23.766 0.885 ( 0.000 2.032 0.000) 2.032 0.945 ( -0.000 -4.225 0.000) 4.225 1.171 ( 0.000 0.626 0.000) 0.626 1.265 ( -0.000 -8.337 0.000) 8.337 1.272 ( 0.000 0.970 0.000) 0.970 1.283 ( -0.000 -4.865 0.000) 4.865 1.476 ( 0.000 2.125 0.000) 2.125 1.699 ( 0.000 1.798 0.000) 1.798 1.896 ( -0.000 -0.381 0.000) 0.381 1.977 ( 0.000 3.506 0.000) 3.506 2.047 ( -0.000 -6.666 0.000) 6.666 2.165 ( -0.000 -1.394 0.000) 1.394 2.217 ( 0.000 0.889 0.000) 0.889 2.296 ( 0.000 0.238 0.000) 0.238 2.607 ( -0.000 -0.240 0.000) 0.240 2.640 ( 0.000 3.387 0.000) 3.387 3.744 ( 0.000 0.047 0.000) 0.047 4.148 ( -0.000 -0.650 0.000) 0.650 4.149 ( 0.000 0.149 0.000) 0.149 4.395 ( 0.000 0.183 0.000) 0.183 4.694 ( -0.000 -0.328 0.000) 0.328 5.021 ( -0.000 -0.344 0.000) 0.344 5.121 ( -0.000 -0.390 0.000) 0.390 5.239 ( -0.000 -0.046 0.000) 0.046 5.432 ( -0.000 -0.370 0.000) 0.370 5.447 ( -0.000 -0.088 0.000) 0.088 5.623 ( -0.000 -3.374 0.000) 3.374 5.645 ( -0.000 -0.345 0.000) 0.345 5.963 ( 0.000 0.235 0.000) 0.235 5.984 ( -0.000 -0.020 0.000) 0.020 6.398 ( -0.000 -0.273 0.000) 0.273 6.412 ( -0.000 -0.021 0.000) 0.021 6.683 ( -0.000 -0.270 0.000) 0.270 ======================= Grid point 46 (33/171) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.703 -0.000 0.000) 0.703 0.923 ( -1.031 -0.000 0.000) 1.031 1.189 ( -7.374 -0.000 0.000) 7.374 1.222 ( 2.598 0.000 0.000) 2.598 1.371 ( 2.206 0.000 0.000) 2.206 1.399 ( 3.601 0.000 0.000) 3.601 1.482 ( -0.764 -0.000 0.000) 0.764 1.541 ( -4.157 -0.000 0.000) 4.157 1.766 ( -6.936 -0.000 0.000) 6.936 2.042 ( -3.163 -0.000 0.000) 3.163 2.189 ( -1.914 -0.000 0.000) 1.914 2.233 ( 2.975 0.000 0.000) 2.975 2.338 ( 3.380 0.000 0.000) 3.380 2.405 ( -1.864 -0.000 0.000) 1.864 2.751 ( 1.971 0.000 0.000) 1.971 2.959 ( 1.448 0.000 0.000) 1.448 3.069 ( 2.278 0.000 0.000) 2.278 3.783 ( 3.803 0.000 0.000) 3.803 4.082 ( 0.217 0.000 0.000) 0.217 4.363 ( -3.712 -0.000 0.000) 3.712 4.401 ( -1.596 -0.000 0.000) 1.596 4.451 ( 0.713 0.000 0.000) 0.713 4.767 ( 4.573 0.000 0.000) 4.573 4.848 ( -1.812 -0.000 0.000) 1.812 4.848 ( 0.881 0.000 0.000) 0.881 4.982 ( 2.901 0.000 0.000) 2.901 5.138 ( -3.905 -0.000 0.000) 3.905 5.416 ( 4.862 0.000 0.000) 4.862 5.537 ( 4.139 0.000 0.000) 4.139 5.667 ( -3.364 -0.000 0.000) 3.364 5.727 ( -0.642 -0.000 0.000) 0.642 6.035 ( 0.528 0.000 0.000) 0.528 6.147 ( 1.679 0.000 0.000) 1.679 6.198 ( -0.863 -0.000 0.000) 0.863 6.228 ( 0.895 0.000 0.000) 0.895 6.289 ( 0.370 0.000 0.000) 0.370 ======================= Grid point 47 (34/171) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.777 1.654 0.000) 1.827 0.920 ( 1.868 -1.786 0.000) 2.585 1.053 ( -4.348 1.103 0.000) 4.486 1.254 ( 0.411 -0.551 0.000) 0.688 1.383 ( -0.134 0.022 0.000) 0.136 1.439 ( -0.056 6.439 0.000) 6.439 1.467 ( -1.153 0.173 0.000) 1.166 1.518 ( 3.024 -7.567 0.000) 8.149 1.685 ( -1.771 0.243 0.000) 1.788 2.010 ( -0.271 -0.122 0.000) 0.298 2.155 ( -2.436 -0.268 0.000) 2.451 2.261 ( -0.456 -0.013 0.000) 0.456 2.371 ( -0.026 0.004 0.000) 0.027 2.387 ( 0.523 1.280 0.000) 1.383 2.758 ( -0.787 -0.177 0.000) 0.806 2.964 ( -0.721 -0.036 0.000) 0.722 3.091 ( 0.084 -0.028 0.000) 0.088 3.816 ( -0.356 -0.159 0.000) 0.390 4.088 ( 0.483 0.003 0.000) 0.483 4.304 ( -1.838 -0.011 0.000) 1.838 4.407 ( 1.465 0.051 0.000) 1.466 4.464 ( 0.477 0.021 0.000) 0.478 4.807 ( -0.619 0.061 0.000) 0.622 4.831 ( 0.094 -0.086 0.000) 0.127 4.840 ( -1.902 -0.027 0.000) 1.902 5.016 ( 1.025 0.014 0.000) 1.025 5.097 ( -0.302 -0.037 0.000) 0.304 5.508 ( 4.196 -0.095 0.000) 4.197 5.592 ( -1.456 2.340 0.000) 2.756 5.620 ( 1.863 -2.329 0.000) 2.982 5.699 ( -2.167 0.134 0.000) 2.172 6.039 ( -0.203 -0.004 0.000) 0.203 6.165 ( 0.113 0.003 0.000) 0.113 6.191 ( 0.030 -0.006 0.000) 0.030 6.227 ( -1.034 0.025 0.000) 1.034 6.297 ( 0.400 0.003 0.000) 0.400 ======================= Grid point 48 (35/171) ======================= q-point: (-0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.121 0.132 0.000) 0.179 1.004 ( 4.376 0.589 0.000) 4.415 1.034 ( 1.223 -0.511 0.000) 1.326 1.244 ( -1.707 -0.778 0.000) 1.876 1.356 ( -5.905 -0.309 0.000) 5.913 1.383 ( -0.338 0.105 0.000) 0.354 1.475 ( 1.835 3.110 0.000) 3.611 1.670 ( 8.988 -2.936 0.000) 9.455 1.700 ( 4.161 -0.410 0.000) 4.181 2.033 ( 2.583 -0.250 0.000) 2.595 2.108 ( -1.545 -0.550 0.000) 1.640 2.213 ( -4.396 -0.588 0.000) 4.435 2.336 ( -3.608 -0.016 0.000) 3.608 2.408 ( 1.968 1.447 0.000) 2.443 2.733 ( -2.061 -0.362 0.000) 2.092 2.935 ( -2.488 -0.288 0.000) 2.505 3.068 ( -2.661 -0.028 0.000) 2.662 3.774 ( -4.151 -0.320 0.000) 4.164 4.098 ( 0.376 0.167 0.000) 0.412 4.306 ( 1.990 -0.652 0.000) 2.094 4.445 ( 2.678 0.610 0.000) 2.747 4.469 ( 0.359 0.209 0.000) 0.415 4.754 ( -4.566 -0.141 0.000) 4.568 4.788 ( -3.313 -0.640 0.000) 3.374 4.851 ( 1.977 0.032 0.000) 1.977 5.008 ( -2.422 0.261 0.000) 2.436 5.120 ( 2.272 -0.222 0.000) 2.283 5.492 ( -3.788 1.331 0.000) 4.015 5.612 ( 1.525 1.847 0.000) 2.395 5.650 ( -0.021 -1.600 0.000) 1.600 5.676 ( 1.181 -0.752 0.000) 1.400 6.027 ( -1.044 -0.102 0.000) 1.049 6.152 ( -1.428 0.047 0.000) 1.428 6.191 ( -2.717 -0.313 0.000) 2.735 6.199 ( 0.858 0.007 0.000) 0.858 6.302 ( 0.119 0.130 0.000) 0.176 ======================= Grid point 49 (36/171) ======================= q-point: (-0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -0.016 -0.077 0.000) 0.078 1.027 ( -1.667 1.113 0.000) 2.005 1.055 ( -1.066 -4.458 0.000) 4.584 1.207 ( -2.261 -0.637 0.000) 2.349 1.229 ( -7.746 -0.921 0.000) 7.801 1.337 ( -4.340 0.911 0.000) 4.435 1.477 ( -0.577 2.389 0.000) 2.458 1.789 ( 1.317 1.967 0.000) 2.367 1.853 ( 9.897 -0.993 0.000) 9.946 2.099 ( -4.853 -0.179 0.000) 4.856 2.104 ( 4.500 -0.376 0.000) 4.515 2.200 ( 8.334 -3.119 0.000) 8.899 2.245 ( -5.548 -0.201 0.000) 5.551 2.432 ( 0.842 0.680 0.000) 1.082 2.673 ( -4.780 0.022 0.000) 4.780 2.865 ( -5.429 -0.519 0.000) 5.454 2.982 ( -6.865 -0.149 0.000) 6.867 3.669 ( -6.669 -0.244 0.000) 6.674 4.096 ( -0.432 0.284 0.000) 0.517 4.380 ( 4.673 -1.277 0.000) 4.845 4.488 ( 2.046 0.608 0.000) 2.134 4.515 ( 5.882 1.265 0.000) 6.017 4.654 ( -5.883 -0.057 0.000) 5.883 4.738 ( -2.105 -1.415 0.000) 2.536 4.898 ( -0.764 0.351 0.000) 0.841 4.906 ( -4.828 0.007 0.000) 4.828 5.174 ( 3.012 -0.815 0.000) 3.120 5.413 ( -3.450 1.827 0.000) 3.904 5.554 ( -4.078 1.001 0.000) 4.199 5.680 ( -0.786 -0.358 0.000) 0.863 5.715 ( 2.572 -0.777 0.000) 2.686 6.013 ( 0.115 -0.331 0.000) 0.350 6.116 ( -2.207 0.107 0.000) 2.209 6.130 ( -3.993 -0.856 0.000) 4.084 6.222 ( 1.570 0.000 0.000) 1.570 6.300 ( -0.171 0.255 0.000) 0.307 ======================= Grid point 50 (37/171) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.459 0.592 0.000) 0.749 0.935 ( -7.368 -0.673 0.000) 7.399 1.010 ( -7.475 -4.562 0.000) 8.758 1.091 ( -5.334 0.007 0.000) 5.334 1.183 ( -1.297 -3.166 0.000) 3.421 1.235 ( -4.952 1.671 0.000) 5.226 1.427 ( -3.468 2.153 0.000) 4.082 1.743 ( -3.839 1.981 0.000) 4.320 1.966 ( -0.763 0.521 0.000) 0.924 1.998 ( -5.726 -2.005 0.000) 6.067 2.177 ( -0.297 -0.619 0.000) 0.686 2.197 ( 4.542 -0.996 0.000) 4.650 2.352 ( 0.729 0.437 0.000) 0.850 2.468 ( 5.850 -0.393 0.000) 5.864 2.547 ( -8.107 0.388 0.000) 8.117 2.726 ( -9.540 -0.419 0.000) 9.549 2.797 ( -13.311 -0.486 0.000) 13.320 3.547 ( -5.629 -0.015 0.000) 5.629 4.086 ( -0.273 0.138 0.000) 0.306 4.465 ( 3.389 -1.243 0.000) 3.610 4.494 ( -14.337 0.416 0.000) 14.343 4.535 ( 3.032 1.254 0.000) 3.282 4.664 ( 9.656 1.859 0.000) 9.834 4.712 ( -8.367 -0.481 0.000) 8.381 4.736 ( 1.666 -1.819 0.000) 2.467 4.965 ( 3.695 0.128 0.000) 3.697 5.222 ( 0.031 -2.694 0.000) 2.694 5.355 ( -1.530 1.665 0.000) 2.261 5.475 ( -3.185 0.678 0.000) 3.256 5.647 ( -2.426 -0.198 0.000) 2.435 5.724 ( -2.035 -0.271 0.000) 2.053 6.046 ( -1.524 -0.568 0.000) 1.627 6.067 ( 1.750 -1.117 0.000) 2.076 6.072 ( -2.319 0.042 0.000) 2.319 6.258 ( 2.157 -0.046 0.000) 2.158 6.298 ( 0.350 0.282 0.000) 0.449 ======================= Grid point 51 (38/171) ======================= q-point: (-0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -11.878 -1.927 0.000) 12.033 0.833 ( -10.674 0.638 0.000) 10.693 0.904 ( 0.334 0.760 0.000) 0.830 1.042 ( -1.145 -1.442 0.000) 1.841 1.149 ( -3.453 1.111 0.000) 3.628 1.181 ( -1.318 -4.792 0.000) 4.970 1.330 ( -5.777 1.156 0.000) 5.892 1.640 ( -5.976 1.416 0.000) 6.142 1.872 ( -6.382 0.736 0.000) 6.425 1.901 ( -6.509 -2.744 0.000) 7.063 2.165 ( -4.050 0.433 0.000) 4.074 2.245 ( -1.971 -1.513 0.000) 2.485 2.266 ( -7.793 0.476 0.000) 7.808 2.350 ( -10.341 0.944 0.000) 10.384 2.478 ( -20.677 -1.009 0.000) 20.702 2.547 ( -6.583 0.509 0.000) 6.602 2.601 ( 5.424 1.460 0.000) 5.617 3.486 ( -0.188 0.260 0.000) 0.321 4.048 ( -31.241 -0.196 0.000) 31.242 4.088 ( 0.183 -0.196 0.000) 0.268 4.506 ( -0.327 -0.652 0.000) 0.730 4.568 ( 0.763 1.704 0.000) 1.867 4.646 ( -0.550 -0.585 0.000) 0.803 4.774 ( 3.601 -1.579 0.000) 3.932 4.837 ( 4.428 2.619 0.000) 5.145 5.040 ( 4.344 0.053 0.000) 4.344 5.175 ( -6.231 -8.227 0.000) 10.320 5.340 ( 0.441 0.433 0.000) 0.618 5.465 ( 2.610 1.200 0.000) 2.872 5.605 ( -1.829 -0.029 0.000) 1.829 5.656 ( -4.871 -0.236 0.000) 4.877 5.979 ( -3.636 -1.485 0.000) 3.928 6.032 ( -1.875 -0.110 0.000) 1.878 6.187 ( 8.256 0.653 0.000) 8.282 6.302 ( 2.388 -0.042 0.000) 2.389 6.315 ( 1.592 0.113 0.000) 1.596 ======================= Grid point 52 (39/171) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -10.654 -2.114 0.000) 10.861 0.642 ( -6.524 6.736 0.000) 9.378 0.908 ( 0.762 1.556 0.000) 1.732 1.043 ( -0.595 -1.536 0.000) 1.647 1.096 ( -2.032 -1.261 0.000) 2.392 1.156 ( -4.133 -0.925 0.000) 4.235 1.219 ( -4.622 -1.622 0.000) 4.898 1.513 ( -7.121 -0.881 0.000) 7.176 1.738 ( -12.581 -0.907 0.000) 12.614 1.753 ( -6.235 0.794 0.000) 6.285 1.941 ( -17.640 -1.123 0.000) 17.675 2.010 ( -22.511 -1.050 0.000) 22.536 2.126 ( -10.229 -0.587 0.000) 10.246 2.165 ( -4.524 2.160 0.000) 5.013 2.189 ( -6.513 0.310 0.000) 6.520 2.528 ( 2.443 0.400 0.000) 2.476 2.662 ( 2.657 3.054 0.000) 4.048 3.347 ( -42.122 -1.420 0.000) 42.146 3.540 ( 5.600 0.713 0.000) 5.645 4.103 ( 0.858 -0.507 0.000) 0.997 4.398 ( -13.874 -0.615 0.000) 13.888 4.539 ( -3.212 1.505 0.000) 3.547 4.655 ( 0.908 -0.469 0.000) 1.022 4.709 ( -15.091 -10.134 0.000) 18.178 4.890 ( 4.950 -0.827 0.000) 5.018 5.128 ( 4.819 -0.046 0.000) 4.819 5.147 ( -1.645 -5.118 0.000) 5.376 5.385 ( 4.094 -1.379 0.000) 4.320 5.511 ( 1.370 0.794 0.000) 1.583 5.557 ( -5.249 -0.314 0.000) 5.258 5.589 ( 0.436 -0.362 0.000) 0.567 5.940 ( -0.913 -1.018 0.000) 1.367 6.004 ( -1.153 -0.147 0.000) 1.162 6.344 ( 2.135 0.018 0.000) 2.135 6.355 ( 10.159 2.589 0.000) 10.483 6.356 ( 2.350 -0.178 0.000) 2.357 ======================= Grid point 53 (40/171) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -5.824 1.855 0.000) 6.112 0.551 ( 1.993 14.356 0.000) 14.494 0.915 ( 0.811 2.466 0.000) 2.596 0.945 ( -10.901 -0.462 0.000) 10.911 1.042 ( -8.251 9.053 0.000) 12.249 1.097 ( 1.082 -4.793 0.000) 4.914 1.181 ( -0.149 -3.755 0.000) 3.758 1.308 ( -14.733 -2.816 0.000) 15.000 1.512 ( -17.721 0.115 0.000) 17.722 1.583 ( 0.241 -2.399 0.000) 2.411 1.661 ( -11.268 -0.515 0.000) 11.280 1.737 ( -3.502 -0.424 0.000) 3.528 1.968 ( -7.265 -0.937 0.000) 7.325 2.072 ( -3.237 4.111 0.000) 5.232 2.124 ( -1.098 -0.101 0.000) 1.102 2.528 ( -23.084 -0.541 0.000) 23.090 2.608 ( -12.885 -1.620 0.000) 12.986 2.682 ( 1.358 3.658 0.000) 3.902 3.629 ( -3.081 -2.115 0.000) 3.737 3.919 ( -44.931 -22.517 0.000) 50.257 4.124 ( 1.015 -0.765 0.000) 1.271 4.383 ( -22.872 -6.929 0.000) 23.898 4.450 ( -4.613 0.736 0.000) 4.672 4.678 ( 1.016 -0.448 0.000) 1.110 4.980 ( 3.760 -0.234 0.000) 3.768 5.128 ( -1.628 -1.528 0.000) 2.233 5.208 ( 3.173 -0.060 0.000) 3.174 5.452 ( 0.463 -0.608 0.000) 0.764 5.464 ( -3.820 -0.388 0.000) 3.839 5.533 ( 1.956 -3.015 0.000) 3.593 5.621 ( 1.751 -0.337 0.000) 1.783 5.950 ( 1.204 -0.114 0.000) 1.209 5.989 ( -0.516 -0.062 0.000) 0.520 6.380 ( 1.505 -0.127 0.000) 1.511 6.395 ( 1.541 -0.202 0.000) 1.554 6.540 ( 11.018 3.421 0.000) 11.536 ======================= Grid point 54 (41/171) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 0.000 6.566 0.000) 6.566 0.494 ( 0.000 14.385 0.000) 14.385 0.717 ( 0.000 22.425 0.000) 22.425 0.904 ( -0.000 -3.838 0.000) 3.838 0.910 ( 0.000 2.821 0.000) 2.821 1.171 ( -0.000 -0.725 0.000) 0.725 1.179 ( -0.000 -8.590 0.000) 8.590 1.230 ( -0.000 -5.700 0.000) 5.700 1.283 ( 0.000 1.169 0.000) 1.169 1.500 ( 0.000 2.573 0.000) 2.573 1.710 ( 0.000 0.365 0.000) 0.365 1.892 ( -0.000 -0.465 0.000) 0.465 1.972 ( -0.000 -8.222 0.000) 8.222 2.018 ( 0.000 4.514 0.000) 4.514 2.150 ( -0.000 -1.717 0.000) 1.717 2.228 ( 0.000 1.143 0.000) 1.143 2.293 ( -0.000 -0.914 0.000) 0.914 2.604 ( -0.000 -0.301 0.000) 0.301 2.677 ( 0.000 3.838 0.000) 3.838 3.745 ( 0.000 0.161 0.000) 0.161 4.141 ( -0.000 -0.821 0.000) 0.821 4.150 ( 0.000 0.190 0.000) 0.190 4.397 ( 0.000 0.235 0.000) 0.235 4.690 ( -0.000 -0.437 0.000) 0.437 5.018 ( -0.000 -0.049 0.000) 0.049 5.117 ( -0.000 -0.544 0.000) 0.544 5.239 ( -0.000 -0.051 0.000) 0.051 5.428 ( -0.000 -0.432 0.000) 0.432 5.446 ( -0.000 -0.145 0.000) 0.145 5.584 ( -0.000 -4.461 0.000) 4.461 5.641 ( -0.000 -0.425 0.000) 0.425 5.965 ( 0.000 0.233 0.000) 0.233 5.984 ( -0.000 -0.013 0.000) 0.013 6.396 ( -0.000 -0.217 0.000) 0.217 6.411 ( -0.000 -0.155 0.000) 0.155 6.680 ( -0.000 -0.333 0.000) 0.333 ======================= Grid point 61 (42/171) ======================= q-point: (-0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -0.314 -0.000 0.000) 0.314 1.007 ( 4.753 0.000 0.000) 4.753 1.032 ( 0.348 0.000 0.000) 0.348 1.239 ( -1.614 -0.000 0.000) 1.614 1.354 ( -6.328 -0.000 0.000) 6.328 1.383 ( -0.231 -0.000 0.000) 0.231 1.494 ( 0.963 0.000 0.000) 0.963 1.652 ( 11.099 0.000 0.000) 11.099 1.698 ( 3.905 0.000 0.000) 3.905 2.032 ( 2.587 0.000 0.000) 2.587 2.106 ( -1.630 -0.000 0.000) 1.630 2.210 ( -4.685 -0.000 0.000) 4.685 2.336 ( -3.622 -0.000 0.000) 3.622 2.415 ( 1.643 0.000 0.000) 1.643 2.732 ( -1.987 -0.000 0.000) 1.987 2.933 ( -2.530 -0.000 0.000) 2.530 3.068 ( -2.667 -0.000 0.000) 2.667 3.772 ( -4.131 -0.000 0.000) 4.131 4.099 ( 0.407 0.000 0.000) 0.407 4.302 ( 1.853 0.000 0.000) 1.853 4.448 ( 2.800 0.000 0.000) 2.800 4.470 ( 0.406 0.000 0.000) 0.406 4.753 ( -4.574 -0.000 0.000) 4.574 4.784 ( -3.436 -0.000 0.000) 3.436 4.852 ( 2.005 0.000 0.000) 2.005 5.009 ( -2.406 -0.000 0.000) 2.406 5.118 ( 2.208 0.000 0.000) 2.208 5.499 ( -3.701 -0.000 0.000) 3.701 5.628 ( 4.637 0.000 0.000) 4.637 5.634 ( -2.850 -0.000 0.000) 2.850 5.672 ( 0.954 0.000 0.000) 0.954 6.026 ( -1.078 -0.000 0.000) 1.078 6.152 ( -1.415 -0.000 0.000) 1.415 6.190 ( -2.800 -0.000 0.000) 2.800 6.199 ( 0.861 0.000 0.000) 0.861 6.303 ( 0.142 0.000 0.000) 0.142 ======================= Grid point 63 (43/171) ======================= q-point: (-0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.060 -0.027 0.000) 0.066 1.024 ( -1.929 -1.674 0.000) 2.554 1.035 ( -2.047 0.390 0.000) 2.084 1.201 ( -2.396 -0.361 0.000) 2.423 1.224 ( -7.353 -0.165 0.000) 7.355 1.343 ( -4.097 0.332 0.000) 4.111 1.494 ( -0.984 0.891 0.000) 1.327 1.802 ( 1.885 0.727 0.000) 2.020 1.846 ( 10.193 -0.354 0.000) 10.199 2.099 ( -6.291 0.050 0.000) 6.291 2.101 ( 4.449 -0.140 0.000) 4.451 2.177 ( 9.971 -1.322 0.000) 10.058 2.243 ( -5.675 -0.071 0.000) 5.675 2.436 ( 0.449 0.259 0.000) 0.518 2.673 ( -4.579 0.009 0.000) 4.579 2.861 ( -5.423 -0.186 0.000) 5.426 2.981 ( -6.923 -0.046 0.000) 6.923 3.668 ( -6.572 -0.093 0.000) 6.573 4.098 ( -0.463 0.102 0.000) 0.474 4.371 ( 4.713 -0.461 0.000) 4.735 4.492 ( 2.181 0.218 0.000) 2.192 4.524 ( 5.988 0.493 0.000) 6.009 4.653 ( -5.777 -0.023 0.000) 5.777 4.728 ( -2.272 -0.529 0.000) 2.333 4.901 ( 2.031 0.195 0.000) 2.041 4.906 ( -7.751 -0.066 0.000) 7.751 5.169 ( 2.761 -0.286 0.000) 2.775 5.427 ( -3.503 0.737 0.000) 3.579 5.560 ( -4.412 0.282 0.000) 4.420 5.678 ( -0.784 -0.078 0.000) 0.788 5.709 ( 3.001 -0.359 0.000) 3.023 6.011 ( 0.061 -0.123 0.000) 0.138 6.117 ( -2.211 0.038 0.000) 2.212 6.124 ( -4.114 -0.292 0.000) 4.124 6.222 ( 1.560 0.001 0.000) 1.560 6.301 ( -0.165 0.091 0.000) 0.188 ======================= Grid point 64 (44/171) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.252 0.347 0.000) 0.429 0.930 ( -8.586 -0.334 0.000) 8.592 0.972 ( -5.168 -2.720 0.000) 5.840 1.093 ( -5.757 0.222 0.000) 5.761 1.159 ( -2.429 -1.715 0.000) 2.973 1.248 ( -5.015 0.849 0.000) 5.086 1.443 ( -3.932 1.082 0.000) 4.078 1.758 ( -4.281 1.117 0.000) 4.424 1.971 ( -0.230 0.373 0.000) 0.438 1.982 ( -6.182 -1.243 0.000) 6.305 2.172 ( 0.103 -0.259 0.000) 0.279 2.188 ( 4.063 -0.693 0.000) 4.122 2.356 ( 1.504 0.250 0.000) 1.524 2.465 ( 6.596 -0.217 0.000) 6.600 2.549 ( -8.407 0.193 0.000) 8.409 2.723 ( -9.341 -0.240 0.000) 9.344 2.793 ( -13.450 -0.240 0.000) 13.452 3.547 ( -5.522 0.000 0.000) 5.522 4.087 ( -0.394 0.076 0.000) 0.401 4.456 ( 3.546 -0.676 0.000) 3.610 4.497 ( -14.275 0.230 0.000) 14.276 4.545 ( 3.284 0.730 0.000) 3.364 4.682 ( 9.811 1.632 0.000) 9.945 4.708 ( -8.711 -0.301 0.000) 8.716 4.720 ( 2.077 -1.528 0.000) 2.579 4.966 ( 3.679 0.071 0.000) 3.680 5.200 ( -1.354 -1.551 0.000) 2.059 5.368 ( -1.992 1.027 0.000) 2.241 5.479 ( -3.191 0.234 0.000) 3.200 5.646 ( -2.286 -0.043 0.000) 2.287 5.722 ( -1.936 -0.220 0.000) 1.949 6.041 ( -3.773 -0.368 0.000) 3.791 6.058 ( 4.143 -0.560 0.000) 4.181 6.072 ( -2.381 0.024 0.000) 2.381 6.257 ( 2.141 -0.024 0.000) 2.141 6.301 ( 0.308 0.154 0.000) 0.344 ======================= Grid point 65 (45/171) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -12.630 -1.553 0.000) 12.725 0.848 ( -7.287 2.133 0.000) 7.592 0.912 ( 0.831 0.842 0.000) 1.183 1.030 ( -1.303 -0.830 0.000) 1.545 1.134 ( -1.657 -4.367 0.000) 4.671 1.157 ( -4.222 0.587 0.000) 4.262 1.338 ( -6.694 0.457 0.000) 6.709 1.652 ( -6.428 0.869 0.000) 6.486 1.876 ( -6.457 -2.161 0.000) 6.809 1.879 ( -6.471 0.563 0.000) 6.496 2.173 ( -4.178 1.054 0.000) 4.309 2.229 ( -1.274 -1.765 0.000) 2.177 2.272 ( -7.607 0.623 0.000) 7.633 2.358 ( -10.555 0.652 0.000) 10.575 2.469 ( -20.987 -0.736 0.000) 21.000 2.551 ( -6.169 0.297 0.000) 6.176 2.613 ( 6.344 0.962 0.000) 6.416 3.488 ( -0.054 0.168 0.000) 0.176 4.047 ( -31.867 -0.124 0.000) 31.868 4.087 ( 0.188 -0.139 0.000) 0.234 4.502 ( 0.515 -0.328 0.000) 0.610 4.585 ( 0.829 1.510 0.000) 1.723 4.640 ( -0.536 -0.741 0.000) 0.915 4.759 ( 3.158 -1.207 0.000) 3.381 4.870 ( 4.758 3.878 0.000) 6.138 5.040 ( 4.287 0.037 0.000) 4.287 5.094 ( -9.258 -7.841 0.000) 12.132 5.345 ( -0.061 0.488 0.000) 0.492 5.475 ( 2.685 0.822 0.000) 2.808 5.605 ( -1.851 0.026 0.000) 1.851 5.653 ( -4.907 -0.214 0.000) 4.912 5.966 ( -3.526 -0.967 0.000) 3.656 6.031 ( -1.923 -0.075 0.000) 1.925 6.192 ( 8.885 0.322 0.000) 8.891 6.302 ( 2.457 -0.021 0.000) 2.457 6.316 ( 1.420 0.071 0.000) 1.422 ======================= Grid point 66 (46/171) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -10.395 -2.718 0.000) 10.744 0.720 ( -2.328 8.581 0.000) 8.891 0.925 ( 1.232 1.719 0.000) 2.115 1.033 ( 0.249 -0.585 0.000) 0.636 1.085 ( -3.341 -0.896 0.000) 3.459 1.131 ( -2.053 -3.917 0.000) 4.422 1.201 ( -6.664 -1.988 0.000) 6.954 1.510 ( -8.334 0.068 0.000) 8.335 1.726 ( -11.356 -1.432 0.000) 11.446 1.762 ( -5.757 0.864 0.000) 5.821 1.931 ( -18.337 -0.895 0.000) 18.359 2.005 ( -23.293 -0.083 0.000) 23.293 2.121 ( -10.096 -0.503 0.000) 10.109 2.183 ( -3.179 1.446 0.000) 3.492 2.192 ( -6.592 0.263 0.000) 6.597 2.531 ( 2.194 0.325 0.000) 2.218 2.689 ( 2.979 2.294 0.000) 3.760 3.334 ( -42.675 -1.134 0.000) 42.690 3.547 ( 5.868 0.600 0.000) 5.899 4.098 ( 0.730 -0.387 0.000) 0.827 4.398 ( -18.254 0.682 0.000) 18.267 4.553 ( -3.521 1.406 0.000) 3.792 4.610 ( -19.341 -9.541 0.000) 21.567 4.649 ( 0.941 -0.599 0.000) 1.115 4.883 ( 5.188 -0.423 0.000) 5.205 5.104 ( 1.521 -3.519 0.000) 3.834 5.128 ( 4.796 -0.033 0.000) 4.796 5.374 ( 3.240 -0.849 0.000) 3.350 5.519 ( 0.631 0.677 0.000) 0.925 5.554 ( -5.401 -0.302 0.000) 5.409 5.586 ( 0.454 -0.311 0.000) 0.550 5.931 ( -0.447 -0.727 0.000) 0.854 6.003 ( -1.125 -0.114 0.000) 1.131 6.344 ( 2.104 0.114 0.000) 2.107 6.353 ( 2.278 -0.242 0.000) 2.291 6.375 ( 10.708 1.567 0.000) 10.822 ======================= Grid point 67 (47/171) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( -3.728 -0.471 0.000) 3.757 0.694 ( 4.266 13.977 0.000) 14.613 0.932 ( -10.734 -1.167 0.000) 10.797 0.941 ( 1.341 2.652 0.000) 2.972 1.054 ( -0.573 -3.787 0.000) 3.830 1.112 ( -0.046 1.618 0.000) 1.618 1.150 ( -2.750 -0.792 0.000) 2.862 1.288 ( -15.455 -0.124 0.000) 15.455 1.518 ( -18.032 0.908 0.000) 18.055 1.557 ( -0.111 -2.904 0.000) 2.906 1.658 ( -11.217 -0.018 0.000) 11.217 1.728 ( -3.157 -1.203 0.000) 3.379 1.961 ( -7.095 -0.565 0.000) 7.118 2.111 ( -2.666 3.537 0.000) 4.429 2.123 ( -1.206 -0.097 0.000) 1.210 2.522 ( -29.092 -0.823 0.000) 29.103 2.594 ( -7.069 -1.127 0.000) 7.159 2.716 ( 1.392 2.970 0.000) 3.280 3.579 ( -36.399 -9.074 0.000) 37.513 3.745 ( -22.298 -10.356 0.000) 24.585 4.117 ( 0.921 -0.673 0.000) 1.141 4.341 ( -15.847 -2.549 0.000) 16.050 4.457 ( -5.050 0.697 0.000) 5.098 4.673 ( 1.021 -0.474 0.000) 1.126 4.981 ( 4.239 0.285 0.000) 4.249 5.115 ( -0.782 -1.248 0.000) 1.473 5.207 ( 3.181 -0.047 0.000) 3.181 5.443 ( 1.667 -1.151 0.000) 2.026 5.460 ( -3.874 -0.317 0.000) 3.887 5.505 ( -0.510 -2.418 0.000) 2.471 5.618 ( 1.680 -0.294 0.000) 1.705 5.949 ( 1.540 -0.083 0.000) 1.543 5.988 ( -0.465 -0.047 0.000) 0.467 6.379 ( 1.472 -0.005 0.000) 1.472 6.392 ( 1.517 -0.295 0.000) 1.546 6.565 ( 9.784 1.748 0.000) 9.939 ======================= Grid point 68 (48/171) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 0.000 3.215 0.000) 3.215 0.623 ( 0.000 11.129 0.000) 11.129 0.874 ( -0.000 -1.689 0.000) 1.689 0.931 ( 0.000 20.220 0.000) 20.220 0.940 ( 0.000 3.161 0.000) 3.161 1.100 ( -0.000 -7.193 0.000) 7.193 1.156 ( -0.000 -2.284 0.000) 2.284 1.175 ( -0.000 -5.103 0.000) 5.103 1.294 ( 0.000 1.121 0.000) 1.121 1.526 ( 0.000 2.444 0.000) 2.444 1.708 ( -0.000 -0.699 0.000) 0.699 1.885 ( -0.000 -9.214 0.000) 9.214 1.887 ( -0.000 -0.453 0.000) 0.453 2.063 ( 0.000 4.458 0.000) 4.458 2.132 ( -0.000 -1.690 0.000) 1.690 2.239 ( 0.000 1.184 0.000) 1.184 2.279 ( -0.000 -1.857 0.000) 1.857 2.601 ( -0.000 -0.304 0.000) 0.304 2.714 ( 0.000 3.420 0.000) 3.420 3.748 ( 0.000 0.289 0.000) 0.289 4.132 ( -0.000 -0.831 0.000) 0.831 4.152 ( 0.000 0.194 0.000) 0.194 4.399 ( 0.000 0.244 0.000) 0.244 4.686 ( -0.000 -0.470 0.000) 0.470 5.021 ( 0.000 0.544 0.000) 0.544 5.110 ( -0.000 -0.689 0.000) 0.689 5.238 ( -0.000 -0.043 0.000) 0.043 5.423 ( -0.000 -0.413 0.000) 0.413 5.444 ( -0.000 -0.172 0.000) 0.172 5.537 ( -0.000 -4.833 0.000) 4.833 5.637 ( -0.000 -0.433 0.000) 0.433 5.967 ( 0.000 0.183 0.000) 0.183 5.984 ( 0.000 0.000 0.000) 0.000 6.394 ( -0.000 -0.101 0.000) 0.101 6.409 ( -0.000 -0.278 0.000) 0.278 6.676 ( -0.000 -0.329 0.000) 0.329 ======================= Grid point 77 (49/171) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.592 0.000 0.000) 0.592 0.928 ( -9.092 -0.000 0.000) 9.092 0.958 ( -4.276 -0.000 0.000) 4.276 1.094 ( -5.856 -0.000 0.000) 5.856 1.150 ( -2.886 -0.000 0.000) 2.886 1.252 ( -5.055 -0.000 0.000) 5.055 1.448 ( -4.116 -0.000 0.000) 4.116 1.764 ( -4.468 -0.000 0.000) 4.468 1.973 ( -0.032 -0.000 0.000) 0.032 1.975 ( -6.346 -0.000 0.000) 6.346 2.171 ( 0.329 0.000 0.000) 0.329 2.185 ( 3.809 0.000 0.000) 3.809 2.357 ( 1.852 0.000 0.000) 1.852 2.464 ( 6.825 0.000 0.000) 6.825 2.550 ( -8.523 -0.000 0.000) 8.523 2.722 ( -9.273 -0.000 0.000) 9.273 2.792 ( -13.501 -0.000 0.000) 13.501 3.547 ( -5.484 -0.000 0.000) 5.484 4.087 ( -0.437 -0.000 0.000) 0.437 4.452 ( 3.614 0.000 0.000) 3.614 4.498 ( -14.251 -0.000 0.000) 14.251 4.549 ( 3.396 0.000 0.000) 3.396 4.693 ( 11.475 0.000 0.000) 11.475 4.706 ( -8.857 -0.000 0.000) 8.857 4.709 ( 0.645 0.000 0.000) 0.645 4.967 ( 3.674 0.000 0.000) 3.674 5.192 ( -1.902 -0.000 0.000) 1.902 5.374 ( -2.193 -0.000 0.000) 2.193 5.480 ( -3.148 -0.000 0.000) 3.148 5.646 ( -2.239 -0.000 0.000) 2.239 5.721 ( -1.892 -0.000 0.000) 1.892 6.039 ( -4.653 -0.000 0.000) 4.653 6.056 ( 5.070 0.000 0.000) 5.070 6.072 ( -2.403 -0.000 0.000) 2.403 6.257 ( 2.135 0.000 0.000) 2.135 6.301 ( 0.293 0.000 0.000) 0.293 ======================= Grid point 79 (50/171) ======================= q-point: (-0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -13.112 -0.583 0.000) 13.125 0.867 ( -4.590 1.330 0.000) 4.779 0.919 ( 1.100 0.341 0.000) 1.152 1.025 ( -1.397 -0.261 0.000) 1.421 1.101 ( -2.520 -1.998 0.000) 3.216 1.161 ( -4.606 0.181 0.000) 4.610 1.340 ( -7.230 0.089 0.000) 7.230 1.658 ( -6.652 0.296 0.000) 6.658 1.860 ( -6.451 -0.824 0.000) 6.503 1.883 ( -6.541 0.207 0.000) 6.545 2.185 ( -5.327 1.105 0.000) 5.441 2.212 ( 0.199 -1.349 0.000) 1.364 2.277 ( -7.388 0.285 0.000) 7.393 2.363 ( -10.673 0.233 0.000) 10.675 2.464 ( -21.235 -0.278 0.000) 21.237 2.553 ( -5.940 0.095 0.000) 5.941 2.620 ( 6.852 0.334 0.000) 6.860 3.489 ( 0.009 0.057 0.000) 0.057 4.046 ( -32.250 -0.042 0.000) 32.250 4.086 ( 0.229 -0.050 0.000) 0.234 4.500 ( 1.057 -0.090 0.000) 1.061 4.597 ( 1.023 0.744 0.000) 1.265 4.633 ( -0.688 -0.471 0.000) 0.834 4.751 ( 2.960 -0.441 0.000) 2.993 4.909 ( 8.783 3.256 0.000) 9.367 5.027 ( -14.871 -4.682 0.000) 15.590 5.041 ( 4.256 0.013 0.000) 4.256 5.348 ( -0.324 0.193 0.000) 0.377 5.481 ( 2.747 0.292 0.000) 2.763 5.606 ( -1.903 0.015 0.000) 1.903 5.652 ( -4.907 -0.086 0.000) 4.908 5.960 ( -3.467 -0.335 0.000) 3.483 6.030 ( -1.950 -0.026 0.000) 1.950 6.194 ( 9.206 0.093 0.000) 9.206 6.301 ( 2.498 -0.006 0.000) 2.498 6.316 ( 1.323 0.024 0.000) 1.323 ======================= Grid point 80 (51/171) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -10.552 -1.896 0.000) 10.721 0.802 ( 0.647 7.188 0.000) 7.218 0.940 ( 1.531 1.100 0.000) 1.885 1.031 ( 1.365 0.133 0.000) 1.371 1.078 ( -4.070 -0.448 0.000) 4.095 1.085 ( -1.319 -4.788 0.000) 4.966 1.183 ( -8.939 -1.404 0.000) 9.049 1.512 ( -8.496 0.281 0.000) 8.500 1.712 ( -10.646 -1.063 0.000) 10.699 1.769 ( -5.159 0.542 0.000) 5.187 1.924 ( -19.198 -0.496 0.000) 19.204 2.007 ( -24.139 0.220 0.000) 24.140 2.117 ( -9.525 -0.311 0.000) 9.530 2.194 ( -2.195 0.712 0.000) 2.307 2.194 ( -6.711 0.167 0.000) 6.713 2.534 ( 2.026 0.180 0.000) 2.034 2.707 ( 3.160 1.217 0.000) 3.387 3.325 ( -43.058 -0.627 0.000) 43.062 3.551 ( 6.140 0.343 0.000) 6.149 4.095 ( 0.645 -0.208 0.000) 0.678 4.413 ( -25.248 2.450 0.000) 25.367 4.524 ( -17.606 -7.353 0.000) 19.080 4.565 ( -3.891 0.922 0.000) 3.999 4.644 ( 1.113 -0.483 0.000) 1.214 4.881 ( 5.388 -0.110 0.000) 5.389 5.077 ( 3.480 -1.899 0.000) 3.965 5.128 ( 4.782 -0.017 0.000) 4.782 5.368 ( 2.533 -0.375 0.000) 2.560 5.524 ( 0.085 0.386 0.000) 0.395 5.551 ( -5.499 -0.190 0.000) 5.503 5.583 ( 0.508 -0.183 0.000) 0.540 5.926 ( -0.139 -0.379 0.000) 0.404 6.002 ( -1.105 -0.062 0.000) 1.106 6.346 ( 2.103 0.199 0.000) 2.112 6.351 ( 2.208 -0.270 0.000) 2.224 6.386 ( 10.965 0.722 0.000) 10.989 ======================= Grid point 81 (52/171) ======================= q-point: (-0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -2.381 -1.622 0.000) 2.881 0.824 ( 5.380 11.891 0.000) 13.051 0.926 ( -12.821 -0.117 0.000) 12.822 0.965 ( 1.764 2.101 0.000) 2.744 1.024 ( -1.833 -2.259 0.000) 2.909 1.087 ( 1.277 -3.598 0.000) 3.818 1.138 ( -0.641 -3.620 0.000) 3.676 1.318 ( -11.789 5.158 0.000) 12.868 1.525 ( -1.906 -3.306 0.000) 3.816 1.528 ( -18.591 0.970 0.000) 18.617 1.660 ( -10.832 0.291 0.000) 10.836 1.716 ( -2.698 -1.230 0.000) 2.965 1.957 ( -7.060 -0.236 0.000) 7.064 2.122 ( -1.261 -0.063 0.000) 1.263 2.141 ( -2.157 2.354 0.000) 3.193 2.513 ( -33.427 -0.792 0.000) 33.437 2.586 ( -2.884 -0.561 0.000) 2.938 2.740 ( 1.391 1.886 0.000) 2.344 3.473 ( -63.762 -9.898 0.000) 64.526 3.695 ( 2.257 -1.795 0.000) 2.883 4.111 ( 0.834 -0.457 0.000) 0.951 4.323 ( -13.163 -1.143 0.000) 13.212 4.463 ( -5.435 0.506 0.000) 5.458 4.669 ( 1.065 -0.372 0.000) 1.128 4.985 ( 4.803 0.640 0.000) 4.845 5.103 ( -0.351 -1.096 0.000) 1.151 5.207 ( 3.187 -0.028 0.000) 3.187 5.430 ( 2.534 -1.372 0.000) 2.881 5.458 ( -3.928 -0.209 0.000) 3.934 5.487 ( -2.522 -1.242 0.000) 2.812 5.615 ( 1.604 -0.196 0.000) 1.616 5.948 ( 1.767 -0.053 0.000) 1.768 5.988 ( -0.422 -0.027 0.000) 0.423 6.380 ( 1.450 0.117 0.000) 1.455 6.389 ( 1.490 -0.327 0.000) 1.526 6.578 ( 8.945 0.807 0.000) 8.981 ======================= Grid point 82 (53/171) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 0.000 0.352 0.000) 0.352 0.705 ( 0.000 4.931 0.000) 4.931 0.882 ( 0.000 3.579 0.000) 3.579 0.970 ( 0.000 2.561 0.000) 2.561 1.040 ( -0.000 -4.562 0.000) 4.562 1.093 ( 0.000 5.700 0.000) 5.700 1.126 ( -0.000 -3.853 0.000) 3.853 1.155 ( 0.000 7.929 0.000) 7.929 1.304 ( 0.000 0.860 0.000) 0.860 1.547 ( 0.000 1.856 0.000) 1.856 1.698 ( -0.000 -1.065 0.000) 1.065 1.790 ( -0.000 -9.736 0.000) 9.736 1.883 ( -0.000 -0.355 0.000) 0.355 2.104 ( 0.000 3.490 0.000) 3.490 2.117 ( -0.000 -1.332 0.000) 1.332 2.250 ( 0.000 0.980 0.000) 0.980 2.258 ( -0.000 -2.084 0.000) 2.084 2.599 ( -0.000 -0.248 0.000) 0.248 2.743 ( 0.000 2.449 0.000) 2.449 3.751 ( 0.000 0.334 0.000) 0.334 4.125 ( -0.000 -0.675 0.000) 0.675 4.154 ( 0.000 0.158 0.000) 0.158 4.402 ( 0.000 0.203 0.000) 0.203 4.681 ( -0.000 -0.403 0.000) 0.403 5.029 ( 0.000 1.155 0.000) 1.155 5.103 ( -0.000 -0.843 0.000) 0.843 5.238 ( -0.000 -0.029 0.000) 0.029 5.420 ( -0.000 -0.322 0.000) 0.322 5.443 ( -0.000 -0.152 0.000) 0.152 5.491 ( -0.000 -4.253 0.000) 4.253 5.633 ( -0.000 -0.355 0.000) 0.355 5.969 ( 0.000 0.119 0.000) 0.119 5.984 ( 0.000 0.010 0.000) 0.010 6.394 ( 0.000 0.041 0.000) 0.041 6.406 ( -0.000 -0.348 0.000) 0.348 6.673 ( -0.000 -0.262 0.000) 0.262 ======================= Grid point 93 (54/171) ======================= q-point: (-0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -10.688 -0.000 0.000) 10.688 0.843 ( 2.074 0.000 0.000) 2.074 0.946 ( 1.639 0.000 0.000) 1.639 1.033 ( 2.075 0.000 0.000) 2.075 1.055 ( -1.712 -0.000 0.000) 1.712 1.076 ( -4.298 -0.000 0.000) 4.298 1.175 ( -9.945 -0.000 0.000) 9.945 1.514 ( -8.435 -0.000 0.000) 8.435 1.707 ( -10.428 -0.000 0.000) 10.428 1.772 ( -4.882 -0.000 0.000) 4.882 1.921 ( -19.589 -0.000 0.000) 19.589 2.008 ( -24.525 -0.000 0.000) 24.525 2.115 ( -9.199 -0.000 0.000) 9.199 2.195 ( -6.768 -0.000 0.000) 6.768 2.198 ( -1.835 -0.000 0.000) 1.835 2.535 ( 1.968 0.000 0.000) 1.968 2.713 ( 3.216 0.000 0.000) 3.216 3.322 ( -43.194 -0.000 0.000) 43.194 3.553 ( 6.257 0.000 0.000) 6.257 4.094 ( 0.615 0.000 0.000) 0.615 4.437 ( -40.249 -0.000 0.000) 40.249 4.476 ( -4.352 -0.000 0.000) 4.352 4.570 ( -4.099 -0.000 0.000) 4.099 4.641 ( 1.249 0.000 0.000) 1.249 4.880 ( 5.469 0.000 0.000) 5.469 5.067 ( 4.114 0.000 0.000) 4.114 5.128 ( 4.777 0.000 0.000) 4.777 5.366 ( 2.271 0.000 0.000) 2.271 5.526 ( -0.118 -0.000 0.000) 0.118 5.550 ( -5.544 -0.000 0.000) 5.544 5.582 ( 0.546 0.000 0.000) 0.546 5.924 ( -0.031 -0.000 0.000) 0.031 6.001 ( -1.097 -0.000 0.000) 1.097 6.348 ( 1.923 0.000 0.000) 1.923 6.348 ( 2.362 0.000 0.000) 2.362 6.390 ( 11.040 0.000 0.000) 11.040 ======================= Grid point 95 (55/171) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( -1.771 -0.863 0.000) 1.971 0.919 ( -0.090 4.716 0.000) 4.716 0.930 ( -7.486 2.198 0.000) 7.802 0.980 ( 2.135 0.839 0.000) 2.294 1.009 ( -2.601 -0.766 0.000) 2.711 1.058 ( -0.993 -2.092 0.000) 2.316 1.094 ( 0.822 -3.774 0.000) 3.862 1.365 ( -5.789 3.182 0.000) 6.606 1.496 ( -4.852 -2.099 0.000) 5.287 1.535 ( -19.116 0.417 0.000) 19.121 1.663 ( -10.512 0.161 0.000) 10.514 1.706 ( -2.282 -0.526 0.000) 2.342 1.956 ( -7.076 -0.052 0.000) 7.076 2.122 ( -1.288 -0.021 0.000) 1.288 2.157 ( -1.858 0.823 0.000) 2.032 2.507 ( -35.251 -0.326 0.000) 35.253 2.583 ( -1.141 -0.158 0.000) 1.152 2.753 ( 1.389 0.641 0.000) 1.530 3.404 ( -68.316 -3.581 0.000) 68.410 3.687 ( 6.221 -0.298 0.000) 6.228 4.108 ( 0.782 -0.162 0.000) 0.798 4.316 ( -12.127 -0.344 0.000) 12.132 4.467 ( -5.666 0.186 0.000) 5.669 4.666 ( 1.108 -0.142 0.000) 1.117 4.991 ( 5.269 0.371 0.000) 5.282 5.094 ( -0.213 -0.500 0.000) 0.543 5.206 ( 3.191 -0.009 0.000) 3.191 5.419 ( 2.514 -0.610 0.000) 2.587 5.456 ( -3.960 -0.073 0.000) 3.961 5.480 ( -3.220 -0.349 0.000) 3.239 5.614 ( 1.553 -0.068 0.000) 1.555 5.948 ( 1.881 -0.019 0.000) 1.881 5.988 ( -0.398 -0.009 0.000) 0.398 6.381 ( 1.442 0.143 0.000) 1.449 6.386 ( 1.471 -0.218 0.000) 1.487 6.583 ( 8.540 0.232 0.000) 8.543 ======================= Grid point 96 (56/171) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( -0.000 -0.742 0.000) 0.742 0.728 ( 0.000 0.593 0.000) 0.593 0.939 ( 0.000 6.902 0.000) 6.902 0.984 ( -0.000 -0.080 0.000) 0.080 1.014 ( -0.000 -0.523 0.000) 0.523 1.080 ( -0.000 -5.204 0.000) 5.204 1.083 ( -0.000 -1.980 0.000) 1.980 1.289 ( 0.000 12.636 0.000) 12.636 1.311 ( 0.000 0.461 0.000) 0.461 1.562 ( 0.000 0.990 0.000) 0.990 1.689 ( -0.000 -0.754 0.000) 0.754 1.696 ( -0.000 -8.659 0.000) 8.659 1.880 ( -0.000 -0.194 0.000) 0.194 2.107 ( -0.000 -0.729 0.000) 0.729 2.131 ( 0.000 1.903 0.000) 1.903 2.240 ( -0.000 -1.383 0.000) 1.383 2.258 ( 0.000 0.556 0.000) 0.556 2.597 ( -0.000 -0.139 0.000) 0.139 2.762 ( 0.000 1.248 0.000) 1.248 3.754 ( 0.000 0.227 0.000) 0.227 4.119 ( -0.000 -0.378 0.000) 0.378 4.155 ( 0.000 0.089 0.000) 0.089 4.403 ( 0.000 0.116 0.000) 0.116 4.678 ( -0.000 -0.234 0.000) 0.234 5.042 ( 0.000 1.244 0.000) 1.244 5.094 ( -0.000 -0.854 0.000) 0.854 5.238 ( -0.000 -0.014 0.000) 0.014 5.417 ( -0.000 -0.176 0.000) 0.176 5.441 ( -0.000 -0.089 0.000) 0.089 5.456 ( -0.000 -2.558 0.000) 2.558 5.630 ( -0.000 -0.200 0.000) 0.200 5.970 ( 0.000 0.057 0.000) 0.057 5.984 ( 0.000 0.009 0.000) 0.009 6.395 ( 0.000 0.156 0.000) 0.156 6.402 ( -0.000 -0.328 0.000) 0.328 6.671 ( -0.000 -0.144 0.000) 0.144 ======================= Grid point 110 (57/171) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 0.000 0.000 0.000) 0.000 0.729 ( 0.000 0.000 0.000) 0.000 0.980 ( 0.000 0.000 0.000) 0.000 0.992 ( 0.000 0.000 0.000) 0.000 1.015 ( 0.000 0.000 0.000) 0.000 1.037 ( -0.000 -0.000 0.000) 0.000 1.073 ( 0.000 0.000 0.000) 0.000 1.313 ( 0.000 0.000 0.000) 0.000 1.362 ( 0.000 0.000 0.000) 0.000 1.567 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.685 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.261 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 5.049 ( -0.000 -0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.396 ( -0.000 -0.000 0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 6.671 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 205 (58/171) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( 0.000 0.000 12.630) 12.630 0.372 ( 0.000 0.000 17.330) 17.330 0.654 ( 0.000 0.000 17.395) 17.395 0.973 ( 0.000 0.000 -2.854) 2.854 0.988 ( 0.000 0.000 12.690) 12.690 1.164 ( 0.000 0.000 0.911) 0.911 1.249 ( 0.000 0.000 -1.167) 1.167 1.340 ( 0.000 0.000 -2.815) 2.815 1.368 ( 0.000 0.000 7.244) 7.244 1.501 ( 0.000 0.000 4.559) 4.559 1.687 ( 0.000 0.000 -0.707) 0.707 1.815 ( 0.000 0.000 -0.862) 0.862 1.861 ( 0.000 0.000 -3.723) 3.723 2.162 ( 0.000 0.000 4.390) 4.390 2.216 ( 0.000 0.000 3.029) 3.029 2.235 ( 0.000 0.000 2.335) 2.335 2.551 ( 0.000 0.000 -4.900) 4.900 2.574 ( 0.000 0.000 -4.160) 4.160 2.662 ( 0.000 0.000 9.106) 9.106 3.574 ( 0.000 0.000 -13.687) 13.687 4.142 ( 0.000 0.000 -0.450) 0.450 4.149 ( 0.000 0.000 -0.548) 0.548 4.716 ( 0.000 0.000 2.024) 2.024 4.977 ( 0.000 0.000 -4.085) 4.085 5.040 ( 0.000 0.000 3.096) 3.096 5.180 ( 0.000 0.000 0.809) 0.809 5.441 ( 0.000 0.000 0.427) 0.427 5.450 ( 0.000 0.000 0.210) 0.210 5.558 ( 0.000 0.000 -0.095) 0.095 5.618 ( 0.000 0.000 -2.496) 2.496 5.958 ( 0.000 0.000 0.196) 0.196 5.980 ( 0.000 0.000 -0.366) 0.366 6.029 ( 0.000 0.000 3.936) 3.936 6.294 ( 0.000 0.000 -2.531) 2.531 6.420 ( 0.000 0.000 1.504) 1.504 6.499 ( 0.000 0.000 -0.460) 0.460 ======================= Grid point 206 (59/171) ======================= q-point: ( 0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 12.525 -0.866 8.670) 15.258 0.545 ( 8.460 -2.418 12.694) 15.445 0.810 ( 11.828 -2.136 5.059) 13.041 1.016 ( 4.150 0.578 -2.560) 4.910 1.027 ( 4.248 -0.166 12.397) 13.105 1.196 ( -3.028 1.326 -0.722) 3.384 1.301 ( 2.592 0.058 11.536) 11.824 1.385 ( 15.393 0.621 1.347) 15.464 1.549 ( 18.617 1.274 -2.041) 18.772 1.624 ( -3.093 0.520 -1.070) 3.314 1.673 ( 9.146 -1.221 1.810) 9.403 1.841 ( 6.775 -0.796 6.602) 9.493 1.937 ( -0.528 0.086 3.979) 4.015 1.966 ( 8.278 0.163 -2.815) 8.745 2.280 ( 1.025 -0.367 11.143) 11.196 2.501 ( 6.342 -0.063 -3.780) 7.383 2.549 ( 0.255 -1.077 -4.476) 4.611 2.671 ( 27.268 0.476 1.906) 27.338 3.521 ( -3.942 0.755 -11.849) 12.510 3.748 ( 36.797 1.970 -33.883) 50.060 4.199 ( 6.572 0.712 -1.726) 6.832 4.229 ( 8.143 -0.729 -2.066) 8.432 4.710 ( -0.535 0.114 2.420) 2.482 4.951 ( -2.612 0.580 -3.582) 4.471 5.013 ( -2.457 1.316 3.035) 4.121 5.156 ( -2.486 0.087 -0.453) 2.528 5.445 ( -0.843 1.013 0.755) 1.519 5.459 ( 0.631 -0.085 0.436) 0.772 5.525 ( -1.086 1.438 0.302) 1.827 5.597 ( -2.098 0.078 -2.403) 3.191 5.789 ( -9.173 6.444 12.988) 17.157 5.980 ( 0.142 0.962 1.419) 1.720 5.992 ( 0.021 -1.261 0.971) 1.592 6.276 ( -3.366 -3.665 -3.101) 5.863 6.403 ( -1.857 -0.391 1.280) 2.290 6.427 ( -3.772 -0.481 1.824) 4.217 ======================= Grid point 207 (60/171) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 14.744 1.804 5.447) 15.821 0.703 ( 7.627 -1.995 7.743) 11.050 0.973 ( 5.911 0.355 4.654) 7.532 1.072 ( 0.460 1.098 -2.875) 3.111 1.101 ( 1.238 -0.532 1.817) 2.262 1.170 ( 2.664 0.480 0.324) 2.726 1.339 ( 5.313 -0.247 14.903) 15.824 1.558 ( -0.775 1.019 -0.909) 1.570 1.723 ( 8.150 -1.221 4.223) 9.260 1.862 ( 16.141 0.276 4.985) 16.896 1.964 ( 14.014 0.364 -0.625) 14.033 1.983 ( 11.540 -1.119 -3.448) 12.096 2.110 ( 13.315 1.556 0.407) 13.412 2.130 ( 14.656 -0.196 0.730) 14.675 2.320 ( 3.314 -0.632 10.554) 11.080 2.490 ( -1.457 -0.214 -2.756) 3.125 2.553 ( -0.328 -1.482 -2.752) 3.143 3.266 ( 15.515 -0.178 -11.926) 19.570 3.545 ( 19.007 0.774 2.628) 19.204 4.050 ( 5.810 0.848 -7.645) 9.640 4.375 ( 9.566 1.605 -4.572) 10.723 4.406 ( 8.324 -1.359 -5.516) 10.078 4.697 ( -0.830 -0.025 2.852) 2.971 4.880 ( -4.310 0.690 -2.922) 5.253 4.935 ( -5.357 1.017 2.237) 5.894 5.091 ( -4.061 0.110 -2.164) 4.603 5.370 ( -4.711 0.840 1.200) 4.933 5.450 ( -1.829 0.392 0.038) 1.871 5.559 ( 3.205 0.184 0.068) 3.211 5.566 ( -0.449 -0.031 -0.084) 0.458 5.657 ( -3.105 3.436 10.211) 11.212 5.991 ( 1.816 1.077 1.194) 2.426 6.010 ( 1.345 -0.237 0.106) 1.370 6.211 ( -4.884 -2.379 -2.985) 6.198 6.359 ( -2.738 -0.425 0.978) 2.939 6.367 ( -2.988 -0.020 0.792) 3.091 ======================= Grid point 208 (61/171) ======================= q-point: ( 0.21 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 4.780 -1.460 3.207) 5.938 0.923 ( 13.369 2.536 2.257) 13.793 1.015 ( -0.733 2.939 1.662) 3.455 1.085 ( 1.582 1.092 -0.052) 1.923 1.131 ( 4.781 0.050 3.450) 5.896 1.249 ( 3.994 -1.493 -0.387) 4.281 1.460 ( 6.170 1.602 15.890) 17.121 1.583 ( 3.435 -2.283 0.555) 4.162 1.831 ( 4.595 -0.598 0.484) 4.659 2.019 ( 4.350 0.542 2.059) 4.843 2.147 ( 8.317 -0.333 1.286) 8.422 2.200 ( 1.561 0.347 -4.680) 4.945 2.288 ( 7.841 -0.148 -1.356) 7.958 2.417 ( 7.059 -0.315 8.229) 10.847 2.508 ( 14.865 1.614 0.068) 14.952 2.541 ( 10.232 -0.342 0.595) 10.255 2.555 ( 2.335 -1.290 0.120) 2.670 3.333 ( 1.969 -0.074 -13.680) 13.821 4.080 ( 26.800 0.387 2.002) 26.878 4.118 ( 2.681 0.307 1.916) 3.310 4.502 ( 4.469 0.281 -2.130) 4.959 4.509 ( 1.820 -0.799 -1.480) 2.478 4.678 ( -1.327 0.079 1.665) 2.131 4.795 ( -4.799 0.866 -1.841) 5.213 4.805 ( -6.341 -0.396 0.799) 6.403 5.020 ( -2.814 0.496 -2.288) 3.661 5.304 ( -1.858 -0.705 1.035) 2.241 5.413 ( -1.227 -0.139 -1.177) 1.706 5.503 ( -5.146 1.508 7.068) 8.872 5.623 ( 3.213 1.091 0.473) 3.426 5.659 ( 3.108 0.111 1.592) 3.494 6.035 ( 3.081 1.370 0.033) 3.372 6.041 ( 1.923 0.196 0.230) 1.947 6.127 ( -4.536 -1.163 -2.272) 5.205 6.312 ( -2.485 0.016 0.562) 2.547 6.315 ( -2.192 -0.247 0.420) 2.246 ======================= Grid point 209 (62/171) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 1.764 -0.602 1.354) 2.304 0.988 ( -0.896 0.029 0.088) 0.901 1.110 ( 3.438 0.936 0.135) 3.566 1.132 ( 8.179 1.737 -0.213) 8.364 1.239 ( 6.217 3.287 2.858) 7.591 1.321 ( 2.672 -2.134 -0.134) 3.422 1.548 ( 4.491 1.823 16.826) 17.510 1.683 ( 4.738 -3.090 5.715) 8.041 1.899 ( 1.617 -0.038 -2.971) 3.383 2.102 ( 4.743 0.729 1.402) 4.999 2.173 ( -3.255 -0.007 -3.613) 4.863 2.214 ( 0.088 0.362 2.350) 2.380 2.325 ( -1.988 -0.305 -1.584) 2.560 2.509 ( -2.025 0.393 1.799) 2.737 2.570 ( 7.287 -0.435 4.147) 8.395 2.749 ( 10.623 0.717 0.802) 10.677 2.821 ( 12.237 0.870 -0.000) 12.268 3.408 ( 5.747 0.262 -13.424) 14.605 4.158 ( 1.715 0.017 6.503) 6.725 4.423 ( 7.064 0.803 -3.048) 7.735 4.499 ( -2.392 -1.158 0.494) 2.703 4.562 ( 3.512 -0.098 1.693) 3.900 4.599 ( -6.860 -1.018 -0.219) 6.939 4.748 ( 1.200 1.214 -1.416) 2.218 4.769 ( 3.671 0.129 1.635) 4.021 4.981 ( -1.340 0.568 0.181) 1.466 5.306 ( 1.263 -1.446 0.783) 2.073 5.389 ( -5.686 1.647 7.508) 9.561 5.420 ( 1.638 -1.437 -1.518) 2.656 5.672 ( 2.244 0.893 0.275) 2.431 5.713 ( 1.862 -0.487 -0.145) 1.930 6.051 ( -2.175 0.273 -0.775) 2.325 6.076 ( 2.013 0.002 -0.378) 2.048 6.099 ( 2.606 1.215 -1.175) 3.106 6.270 ( -1.695 0.142 0.834) 1.895 6.291 ( -0.589 -0.266 0.222) 0.684 ======================= Grid point 210 (63/171) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.304 -0.082 0.928) 0.980 0.976 ( -1.089 -1.765 -0.244) 2.088 1.168 ( 3.030 0.697 0.253) 3.120 1.218 ( 1.021 1.851 -1.132) 2.398 1.322 ( 4.188 3.066 1.325) 5.357 1.379 ( 2.692 -1.770 0.213) 3.229 1.597 ( 0.238 -0.088 13.006) 13.008 1.766 ( 0.952 -1.911 12.224) 12.409 1.865 ( -3.569 0.820 -2.084) 4.213 2.107 ( -2.917 0.216 -0.528) 2.972 2.158 ( 0.825 1.679 2.923) 3.470 2.229 ( 1.791 0.200 -1.666) 2.454 2.258 ( -1.922 -0.060 -1.647) 2.532 2.459 ( -2.966 0.661 2.903) 4.203 2.684 ( 4.384 0.155 1.153) 4.536 2.896 ( 5.523 0.926 0.792) 5.655 2.985 ( 6.034 0.552 -0.532) 6.083 3.527 ( 6.443 0.322 -14.246) 15.638 4.182 ( 0.627 -0.276 7.811) 7.841 4.410 ( -3.512 0.942 -1.258) 3.847 4.461 ( -1.738 -0.803 -0.053) 1.916 4.473 ( -5.391 -0.649 -0.342) 5.440 4.671 ( 5.838 0.127 1.225) 5.966 4.761 ( 1.911 1.258 -2.164) 3.149 4.907 ( 6.899 -0.443 1.318) 7.038 4.955 ( -1.303 0.407 3.170) 3.451 5.282 ( -4.730 0.982 7.920) 9.277 5.358 ( 3.289 -1.636 0.609) 3.724 5.481 ( 3.492 -2.066 -1.340) 4.273 5.686 ( -0.723 0.326 -1.426) 1.632 5.728 ( -0.003 0.186 0.561) 0.591 6.027 ( -0.053 0.358 0.202) 0.415 6.116 ( 2.212 -0.004 -0.693) 2.318 6.136 ( 1.540 0.933 -2.472) 3.058 6.250 ( -0.182 0.392 1.759) 1.811 6.291 ( 0.221 -0.293 0.143) 0.394 ======================= Grid point 211 (64/171) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -1.120 -0.358 1.011) 1.551 0.959 ( -1.456 -1.626 -0.348) 2.210 1.132 ( -5.328 3.140 2.063) 6.520 1.239 ( 1.981 -0.356 -0.784) 2.160 1.352 ( -0.029 -0.376 1.664) 1.706 1.441 ( 3.081 0.029 -0.105) 3.083 1.550 ( -4.440 0.075 5.946) 7.421 1.671 ( -6.019 0.460 -1.293) 6.173 1.885 ( 2.615 -0.617 19.788) 19.970 2.070 ( -1.093 -0.286 2.645) 2.876 2.153 ( 0.995 1.942 -0.261) 2.197 2.227 ( 0.915 0.501 -1.228) 1.611 2.314 ( 3.134 -0.122 -2.271) 3.872 2.390 ( -3.827 0.406 2.735) 4.721 2.735 ( 1.458 0.357 -0.736) 1.672 2.960 ( 2.015 0.617 0.942) 2.309 3.059 ( 2.311 0.199 -1.025) 2.536 3.628 ( 4.004 0.187 -14.891) 15.421 4.184 ( -0.390 -0.279 7.075) 7.091 4.331 ( -3.494 1.173 -0.686) 3.749 4.415 ( -1.425 -0.923 0.127) 1.702 4.450 ( -0.065 -0.422 -0.686) 0.808 4.769 ( 4.371 0.430 0.627) 4.436 4.803 ( 2.863 1.048 -0.794) 3.150 4.925 ( -1.683 0.107 4.622) 4.920 4.995 ( 2.326 -0.686 0.107) 2.428 5.207 ( -2.714 0.348 8.905) 9.316 5.438 ( 4.166 -1.607 0.226) 4.471 5.551 ( 1.895 -1.256 -0.907) 2.447 5.652 ( -1.665 0.040 -1.675) 2.362 5.716 ( -1.162 0.775 0.865) 1.643 6.035 ( 0.675 0.191 0.396) 0.805 6.147 ( 0.337 0.337 -2.820) 2.860 6.155 ( 1.553 0.006 -0.835) 1.763 6.255 ( 0.586 0.426 2.032) 2.158 6.297 ( 0.173 -0.231 0.144) 0.323 ======================= Grid point 212 (65/171) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.000 -0.000 1.246) 1.246 0.946 ( 0.000 -0.000 -0.528) 0.528 1.053 ( 0.000 -0.000 4.005) 4.005 1.260 ( 0.000 -0.000 -1.448) 1.448 1.349 ( 0.000 -0.000 2.376) 2.376 1.483 ( -0.000 -0.000 0.488) 0.488 1.485 ( 0.000 -0.000 2.672) 2.672 1.615 ( 0.000 -0.000 -2.830) 2.830 1.913 ( 0.000 -0.000 23.621) 23.621 2.061 ( 0.000 -0.000 3.971) 3.971 2.172 ( 0.000 -0.000 -0.214) 0.214 2.238 ( 0.000 -0.000 -2.213) 2.213 2.334 ( -0.000 -0.000 0.567) 0.567 2.352 ( 0.000 -0.000 -0.488) 0.488 2.746 ( -0.000 -0.000 -1.368) 1.368 2.976 ( 0.000 -0.000 1.025) 1.025 3.079 ( 0.000 -0.000 -1.263) 1.263 3.667 ( 0.000 -0.000 -15.043) 15.043 4.179 ( -0.000 0.000 6.498) 6.498 4.292 ( 0.000 -0.000 -0.604) 0.604 4.406 ( 0.000 -0.000 0.160) 0.160 4.453 ( 0.000 -0.000 -0.958) 0.958 4.813 ( 0.000 -0.000 0.499) 0.499 4.837 ( -0.000 -0.000 -0.347) 0.347 4.901 ( 0.000 -0.000 5.014) 5.014 5.015 ( 0.000 -0.000 -0.232) 0.232 5.180 ( 0.000 -0.000 9.573) 9.573 5.520 ( 0.000 -0.000 0.444) 0.444 5.526 ( -0.000 0.000 -1.295) 1.295 5.659 ( 0.000 -0.000 -2.092) 2.092 5.687 ( -0.000 -0.000 1.606) 1.606 6.042 ( 0.000 -0.000 0.357) 0.357 6.148 ( 0.000 -0.000 -2.767) 2.767 6.171 ( 0.000 -0.000 -0.808) 0.808 6.260 ( 0.000 -0.000 1.939) 1.939 6.299 ( 0.000 -0.000 0.156) 0.156 ======================= Grid point 221 (66/171) ======================= q-point: ( 0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 15.367 0.000 4.806) 16.101 0.691 ( 7.739 0.000 7.911) 11.066 0.974 ( 7.003 0.000 4.485) 8.316 1.078 ( 0.205 0.000 -3.276) 3.283 1.097 ( 1.812 0.000 2.450) 3.048 1.173 ( 1.668 0.000 0.782) 1.842 1.338 ( 5.232 0.000 15.377) 16.243 1.563 ( -1.733 -0.000 -1.124) 2.065 1.717 ( 8.846 0.000 3.941) 9.684 1.864 ( 15.448 0.000 4.945) 16.221 1.967 ( 22.041 0.000 -1.041) 22.066 1.975 ( 4.183 0.000 -3.248) 5.296 2.123 ( 7.266 0.000 -3.649) 8.131 2.126 ( 20.851 0.000 4.624) 21.357 2.317 ( 3.383 0.000 10.684) 11.207 2.489 ( -1.438 -0.000 -2.800) 3.147 2.546 ( -0.208 -0.000 -2.692) 2.700 3.265 ( 15.262 0.000 -12.048) 19.444 3.549 ( 19.084 0.000 2.836) 19.294 4.054 ( 5.431 0.000 -7.391) 9.172 4.388 ( 7.939 0.000 -3.308) 8.601 4.394 ( 9.765 0.000 -7.009) 12.019 4.697 ( -0.858 -0.000 2.858) 2.984 4.883 ( -4.348 -0.000 -2.893) 5.222 4.940 ( -5.821 -0.000 1.871) 6.114 5.091 ( -4.001 -0.000 -2.236) 4.583 5.374 ( -5.302 -0.000 0.765) 5.357 5.452 ( -1.881 -0.000 -0.109) 1.885 5.560 ( 3.654 0.000 -0.162) 3.657 5.566 ( -0.815 -0.000 -0.126) 0.824 5.675 ( -4.066 -0.000 10.446) 11.209 5.997 ( 1.872 0.000 1.279) 2.267 6.009 ( 1.482 0.000 -0.140) 1.489 6.198 ( -4.259 -0.000 -2.631) 5.006 6.357 ( -2.618 -0.000 0.908) 2.771 6.367 ( -2.973 -0.000 0.730) 3.061 ======================= Grid point 222 (67/171) ======================= q-point: ( 0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 5.120 -0.524 3.090) 6.004 0.941 ( 12.978 1.039 1.604) 13.118 1.037 ( -2.385 1.251 -0.954) 2.857 1.092 ( 2.424 0.288 1.571) 2.903 1.130 ( 5.717 -0.068 5.030) 7.615 1.238 ( 3.661 -0.647 0.375) 3.737 1.473 ( 7.701 0.811 16.144) 17.905 1.565 ( 1.825 -1.106 0.062) 2.135 1.827 ( 4.824 -0.202 0.082) 4.829 2.023 ( 4.350 0.195 1.583) 4.633 2.145 ( 8.532 -0.077 1.269) 8.626 2.202 ( 1.108 0.105 -5.049) 5.170 2.286 ( 8.145 -0.100 -1.565) 8.294 2.415 ( 7.107 -0.087 8.625) 11.176 2.524 ( 14.738 1.474 0.442) 14.818 2.537 ( 10.568 -0.643 0.669) 10.609 2.543 ( 2.704 -0.829 -0.006) 2.828 3.333 ( 2.115 -0.027 -13.625) 13.788 4.083 ( 26.586 0.137 2.138) 26.672 4.120 ( 2.538 0.104 2.033) 3.253 4.502 ( 2.160 -0.153 -1.711) 2.760 4.505 ( 3.989 -0.010 -2.188) 4.550 4.679 ( -1.316 0.022 1.652) 2.112 4.799 ( -7.691 0.045 1.629) 7.861 4.804 ( -3.749 0.138 -2.821) 4.694 5.024 ( -2.752 0.170 -2.122) 3.479 5.299 ( -2.224 -0.262 0.935) 2.427 5.411 ( -1.640 -0.143 -1.269) 2.079 5.514 ( -4.967 0.510 5.919) 7.744 5.632 ( 3.640 0.555 -0.417) 3.706 5.659 ( 2.016 0.010 3.052) 3.657 6.040 ( 1.831 0.070 -0.031) 1.833 6.048 ( 3.295 0.649 0.166) 3.363 6.118 ( -4.114 -0.596 -2.065) 4.641 6.312 ( -2.190 0.050 0.492) 2.245 6.313 ( -2.418 -0.134 0.395) 2.454 ======================= Grid point 223 (68/171) ======================= q-point: ( 0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 2.225 -0.338 1.324) 2.611 0.988 ( -1.959 -0.029 -0.482) 2.017 1.119 ( 2.589 0.751 0.033) 2.696 1.145 ( 8.036 0.891 -0.484) 8.100 1.264 ( 6.949 1.605 4.721) 8.553 1.303 ( 2.636 -1.435 0.425) 3.031 1.574 ( 4.161 3.217 12.714) 13.759 1.650 ( 5.009 -3.640 8.945) 10.879 1.899 ( 1.949 0.014 -3.327) 3.856 2.108 ( 4.927 0.463 0.794) 5.012 2.173 ( -3.181 -0.068 -3.862) 5.004 2.217 ( 0.263 0.225 2.192) 2.219 2.322 ( -2.233 -0.255 -1.407) 2.652 2.513 ( -1.817 0.254 1.569) 2.414 2.566 ( 7.663 -0.285 4.574) 8.929 2.754 ( 10.788 0.388 0.992) 10.840 2.828 ( 12.123 0.522 0.001) 12.134 3.410 ( 5.820 0.151 -13.319) 14.536 4.159 ( 1.587 0.009 6.641) 6.828 4.429 ( 7.560 0.409 -2.820) 8.079 4.490 ( -2.280 -0.636 0.457) 2.410 4.561 ( 2.991 -0.007 1.121) 3.194 4.591 ( -6.764 -0.543 0.017) 6.786 4.759 ( 1.685 0.894 -0.976) 2.143 4.769 ( 3.156 -0.151 0.866) 3.276 4.986 ( -1.386 0.363 0.488) 1.513 5.294 ( 1.226 -0.829 0.719) 1.645 5.401 ( -5.125 0.565 7.112) 8.785 5.410 ( 0.417 -0.509 -1.693) 1.816 5.681 ( 1.974 1.001 -0.384) 2.246 5.706 ( 1.901 -0.756 0.512) 2.109 6.053 ( -2.296 0.128 -0.770) 2.425 6.076 ( 1.972 0.002 -0.309) 1.996 6.108 ( 2.843 0.674 -1.307) 3.201 6.271 ( -1.621 0.105 0.857) 1.837 6.289 ( -0.585 -0.167 0.258) 0.661 ======================= Grid point 224 (69/171) ======================= q-point: ( 0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.321 -0.001 0.770) 0.834 0.961 ( -1.384 -1.237 -0.053) 1.857 1.172 ( 3.091 0.147 0.334) 3.112 1.234 ( 1.281 1.220 -1.237) 2.159 1.343 ( 1.870 0.828 0.977) 2.267 1.368 ( 4.084 -0.213 0.807) 4.168 1.605 ( -0.171 1.531 9.169) 9.297 1.744 ( 1.988 -2.387 16.824) 17.108 1.872 ( -3.745 0.658 -2.827) 4.738 2.109 ( -3.036 0.078 -0.702) 3.117 2.175 ( 1.324 1.692 2.793) 3.523 2.231 ( 2.131 0.132 -1.900) 2.858 2.253 ( -2.479 -0.930 -1.547) 3.067 2.467 ( -2.825 0.724 2.537) 3.865 2.685 ( 4.596 0.107 1.284) 4.773 2.904 ( 5.457 0.668 0.921) 5.574 2.990 ( 5.816 0.401 -0.391) 5.843 3.530 ( 6.359 0.189 -14.130) 15.497 4.180 ( 0.556 -0.179 7.943) 7.964 4.416 ( -3.567 0.239 -1.155) 3.757 4.454 ( -1.405 -0.594 -0.026) 1.525 4.470 ( -5.404 0.033 -0.628) 5.440 4.672 ( 6.111 0.086 1.311) 6.250 4.772 ( 1.842 0.858 -2.393) 3.139 4.903 ( 6.634 -0.319 1.283) 6.764 4.959 ( -1.402 0.374 3.269) 3.576 5.291 ( -5.111 0.701 7.599) 9.184 5.345 ( 3.411 -1.033 0.523) 3.602 5.463 ( 3.528 -1.531 -1.189) 4.026 5.689 ( -0.962 0.293 -1.697) 1.973 5.729 ( 0.378 -0.052 0.735) 0.828 6.030 ( -0.103 0.225 0.220) 0.331 6.116 ( 2.240 -0.014 -0.581) 2.315 6.144 ( 1.148 0.627 -2.679) 2.982 6.254 ( -0.053 0.342 1.792) 1.825 6.288 ( 0.233 -0.218 0.217) 0.386 ======================= Grid point 225 (70/171) ======================= q-point: ( 0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -1.194 -0.185 0.751) 1.423 0.943 ( -1.036 -1.467 -0.132) 1.801 1.162 ( -5.736 2.778 1.254) 6.495 1.234 ( 1.867 -0.658 -0.495) 2.041 1.356 ( 0.331 1.221 1.332) 1.837 1.437 ( 2.872 -0.981 -0.296) 3.050 1.553 ( -3.995 0.536 4.920) 6.360 1.672 ( -6.511 -0.201 0.948) 6.583 1.877 ( 2.494 -0.897 19.816) 19.993 2.067 ( -1.348 -0.321 2.336) 2.716 2.170 ( 0.343 1.415 -0.294) 1.486 2.229 ( 0.795 -0.093 -1.108) 1.367 2.312 ( 3.195 -0.174 -2.379) 3.987 2.400 ( -3.365 1.451 2.365) 4.362 2.738 ( 1.323 0.210 -0.698) 1.511 2.965 ( 1.746 0.509 1.019) 2.084 3.061 ( 2.169 0.146 -0.850) 2.335 3.629 ( 3.845 0.005 -14.819) 15.310 4.182 ( -0.292 -0.209 7.177) 7.186 4.341 ( -3.820 0.812 -0.865) 4.000 4.407 ( -1.213 -0.575 0.188) 1.355 4.447 ( 0.166 -0.326 -0.699) 0.789 4.773 ( 4.336 0.354 0.730) 4.411 4.813 ( 2.606 0.829 -0.770) 2.841 4.927 ( -1.896 0.114 4.433) 4.823 4.989 ( 2.450 -0.567 0.059) 2.515 5.210 ( -2.990 0.228 8.813) 9.309 5.425 ( 4.413 -0.998 0.154) 4.527 5.539 ( 3.139 -0.979 -0.695) 3.360 5.651 ( -2.354 -0.138 -1.616) 2.859 5.722 ( -1.018 0.480 0.654) 1.302 6.037 ( 0.572 0.138 0.407) 0.715 6.150 ( 0.086 0.261 -2.839) 2.853 6.155 ( 1.612 0.023 -0.740) 1.774 6.259 ( 0.435 0.372 1.934) 2.017 6.294 ( 0.256 -0.186 0.205) 0.377 ======================= Grid point 226 (71/171) ======================= q-point: ( 0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.556 0.279 1.075) 1.242 0.943 ( 0.623 -0.745 -0.504) 1.094 1.060 ( -1.484 1.427 3.922) 4.430 1.257 ( 0.105 -0.425 -1.322) 1.392 1.358 ( 0.946 1.808 2.139) 2.956 1.480 ( 0.383 -0.482 0.510) 0.799 1.485 ( -1.193 0.027 2.465) 2.739 1.608 ( -0.488 -1.471 -2.428) 2.880 1.909 ( 0.046 -0.872 23.795) 23.811 2.059 ( 0.245 -0.349 3.916) 3.939 2.168 ( -1.547 -0.658 0.014) 1.681 2.238 ( -0.219 0.009 -2.189) 2.200 2.341 ( 0.457 0.881 -1.176) 1.539 2.357 ( 0.023 1.259 0.836) 1.512 2.745 ( -0.319 -0.232 -1.343) 1.400 2.976 ( -0.347 -0.014 1.047) 1.103 3.079 ( -0.082 -0.005 -1.241) 1.243 3.666 ( -0.166 -0.228 -15.020) 15.023 4.179 ( 0.167 0.008 6.496) 6.499 4.292 ( -0.728 -0.046 -0.613) 0.952 4.407 ( 0.601 0.065 0.149) 0.623 4.453 ( 0.227 0.037 -0.959) 0.986 4.813 ( -0.351 -0.026 0.489) 0.603 4.837 ( -0.853 -0.007 -0.331) 0.915 4.901 ( 0.172 -0.024 5.025) 5.028 5.016 ( 0.506 0.017 -0.235) 0.558 5.180 ( -0.153 -0.070 9.569) 9.570 5.513 ( 3.917 -0.649 -0.102) 3.972 5.538 ( -2.607 1.692 -0.771) 3.202 5.651 ( 1.276 -1.465 -1.567) 2.496 5.690 ( -1.444 0.513 1.104) 1.889 6.042 ( -0.097 -0.010 0.357) 0.370 6.148 ( -0.125 0.008 -2.768) 2.771 6.171 ( -0.020 0.045 -0.796) 0.798 6.260 ( -0.270 -0.031 1.921) 1.940 6.299 ( 0.150 0.017 0.162) 0.221 ======================= Grid point 227 (72/171) ======================= q-point: (-0.50 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.881 0.363 1.231) 1.557 0.975 ( 2.324 1.481 -0.517) 2.804 1.103 ( 4.083 -2.424 2.896) 5.562 1.240 ( -2.024 -0.091 -0.976) 2.249 1.360 ( -0.889 1.157 1.648) 2.201 1.438 ( -2.425 -0.383 0.254) 2.468 1.551 ( 5.456 0.387 6.068) 8.170 1.664 ( 5.798 -0.928 -2.308) 6.309 1.886 ( -2.529 -0.391 19.519) 19.686 2.073 ( 0.838 0.234 3.027) 3.149 2.133 ( -1.104 -2.046 -0.227) 2.336 2.220 ( -1.476 -0.868 -0.780) 1.882 2.314 ( -3.244 -0.039 -2.229) 3.937 2.393 ( 3.732 1.005 2.453) 4.578 2.731 ( -1.512 -0.489 -0.768) 1.765 2.953 ( -2.292 -0.609 0.898) 2.536 3.057 ( -2.459 -0.200 -1.182) 2.736 3.626 ( -4.121 -0.379 -14.937) 15.500 4.187 ( 0.508 0.301 6.965) 6.990 4.318 ( 3.022 -1.267 -0.497) 3.314 4.425 ( 1.788 1.063 0.025) 2.080 4.455 ( 0.300 0.434 -0.674) 0.856 4.765 ( -4.398 -0.420 0.526) 4.449 4.793 ( -3.167 -1.056 -0.744) 3.420 4.924 ( 1.516 -0.080 4.781) 5.016 5.002 ( -2.202 0.667 0.150) 2.306 5.204 ( 2.444 -0.394 8.991) 9.325 5.457 ( -3.951 2.030 0.275) 4.451 5.564 ( -0.609 1.431 -1.133) 1.924 5.649 ( 0.974 -0.430 -1.757) 2.054 5.707 ( 1.295 -0.999 1.163) 2.007 6.033 ( -0.798 -0.210 0.386) 0.911 6.144 ( -0.602 -0.338 -2.813) 2.896 6.155 ( -1.538 0.016 -0.901) 1.783 6.250 ( -0.693 -0.393 2.099) 2.245 6.299 ( -0.095 0.232 0.079) 0.263 ======================= Grid point 228 (73/171) ======================= q-point: (-0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -0.252 0.167 1.169) 1.208 0.995 ( 0.659 1.980 -0.412) 2.127 1.154 ( -1.780 -2.364 0.471) 2.997 1.200 ( -1.643 -1.496 -0.932) 2.410 1.289 ( -6.672 -3.342 1.745) 7.663 1.399 ( -1.885 2.060 -0.079) 2.793 1.606 ( -0.417 1.651 15.112) 15.208 1.781 ( 0.617 1.116 8.079) 8.179 1.857 ( 3.044 -0.699 -0.884) 3.246 2.104 ( 2.865 -0.471 -0.475) 2.942 2.143 ( -0.623 -1.235 3.229) 3.512 2.226 ( -0.687 -0.476 -1.403) 1.633 2.253 ( 1.099 -0.991 -1.424) 2.053 2.455 ( 2.761 -0.199 3.014) 4.093 2.682 ( -4.120 -0.171 0.986) 4.239 2.886 ( -5.604 -0.981 0.653) 5.726 2.980 ( -6.265 -0.571 -0.713) 6.332 3.524 ( -6.486 -0.417 -14.378) 15.779 4.185 ( -0.721 0.333 7.660) 7.701 4.397 ( 3.618 -1.500 -1.127) 4.075 4.470 ( 2.156 0.889 -0.102) 2.334 4.483 ( 5.211 1.249 -0.282) 5.366 4.670 ( -5.515 -0.143 1.131) 5.632 4.748 ( -1.990 -1.435 -1.848) 3.071 4.911 ( -7.225 0.479 1.366) 7.368 4.951 ( 1.209 -0.311 3.043) 3.289 5.272 ( 4.304 -1.045 8.300) 9.408 5.377 ( -3.245 2.053 0.641) 3.893 5.502 ( -3.527 2.113 -1.470) 4.367 5.683 ( 0.678 -0.272 -1.175) 1.384 5.725 ( 0.334 -0.566 0.481) 0.815 6.023 ( -0.022 -0.442 0.188) 0.481 6.116 ( -2.165 -0.089 -0.937) 2.361 6.126 ( -2.031 -0.971 -2.105) 3.083 6.247 ( 0.334 -0.326 1.695) 1.758 6.294 ( -0.213 0.308 0.044) 0.377 ======================= Grid point 229 (74/171) ======================= q-point: (-0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -1.165 0.700 1.374) 1.933 0.987 ( -0.709 -0.124 0.785) 1.065 1.102 ( -3.509 -0.854 0.102) 3.613 1.110 ( -9.452 -2.461 0.514) 9.781 1.201 ( -4.526 -4.110 1.159) 6.223 1.342 ( -2.949 1.936 -0.558) 3.572 1.538 ( -5.203 -0.316 18.945) 19.649 1.711 ( -4.491 2.497 3.532) 6.235 1.900 ( -1.163 0.157 -2.442) 2.709 2.094 ( -4.580 -0.792 2.200) 5.142 2.172 ( 3.378 -0.172 -3.218) 4.669 2.210 ( 0.201 -0.430 2.577) 2.620 2.327 ( 1.848 0.197 -1.840) 2.615 2.505 ( 2.476 -0.417 2.015) 3.219 2.574 ( -6.906 0.428 3.721) 7.856 2.740 ( -10.441 -0.895 0.516) 10.492 2.811 ( -12.383 -0.979 -0.045) 12.422 3.405 ( -5.635 -0.309 -13.582) 14.708 4.158 ( -1.916 -0.025 6.305) 6.590 4.414 ( -6.372 -1.089 -3.287) 7.252 4.512 ( 2.589 1.472 0.539) 3.026 4.563 ( -4.121 0.248 2.367) 4.759 4.611 ( 6.885 1.354 -0.520) 7.036 4.735 ( -0.856 -1.379 -1.553) 2.246 4.767 ( -3.995 -0.311 2.223) 4.583 4.975 ( 1.188 -0.618 -0.246) 1.362 5.322 ( -1.403 1.729 0.977) 2.432 5.370 ( 4.964 -2.064 7.937) 9.586 5.436 ( -1.926 1.664 -1.196) 2.813 5.664 ( -2.427 -0.579 0.691) 2.589 5.716 ( -1.858 0.106 -0.536) 1.937 6.048 ( 1.856 -0.411 -0.769) 2.050 6.076 ( -2.116 -0.015 -0.446) 2.162 6.085 ( -2.065 -1.489 -1.040) 2.750 6.269 ( 1.783 -0.124 0.816) 1.965 6.294 ( 0.584 0.298 0.162) 0.676 ======================= Grid point 230 (75/171) ======================= q-point: (-0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -4.223 1.860 3.389) 5.725 0.896 ( -13.479 -2.571 3.056) 14.058 0.982 ( -0.770 -3.546 3.479) 5.027 1.071 ( -1.252 -1.650 -0.508) 2.133 1.128 ( -3.677 -0.651 1.127) 3.901 1.265 ( -4.483 1.442 -1.273) 4.878 1.444 ( -5.294 -1.644 16.020) 16.952 1.607 ( -4.706 2.367 0.631) 5.305 1.839 ( -4.192 0.909 1.180) 4.449 2.012 ( -4.368 -0.772 2.912) 5.306 2.152 ( -7.819 0.690 1.425) 7.978 2.195 ( -2.339 -0.548 -4.208) 4.846 2.288 ( -7.427 -0.090 -0.982) 7.492 2.421 ( -6.904 0.599 7.672) 10.338 2.493 ( -16.270 -1.380 -0.147) 16.329 2.544 ( -9.906 0.140 0.332) 9.912 2.568 ( -0.223 1.342 -0.041) 1.361 3.334 ( -1.714 0.100 -13.786) 13.893 4.075 ( -27.178 -0.563 1.759) 27.240 4.114 ( -2.955 -0.482 1.683) 3.435 4.498 ( -4.435 -0.361 -1.615) 4.734 4.520 ( -2.069 1.296 -1.477) 2.853 4.677 ( 1.339 -0.167 1.697) 2.168 4.784 ( 4.023 -1.390 -2.306) 4.841 4.812 ( 6.516 0.871 1.465) 6.735 5.014 ( 2.882 -0.848 -2.595) 3.969 5.312 ( 1.239 0.932 1.289) 2.016 5.410 ( 0.366 -1.043 0.099) 1.110 5.487 ( 5.145 -1.529 7.880) 9.535 5.613 ( -2.988 -0.802 0.664) 3.164 5.657 ( -3.941 -0.230 0.496) 3.978 6.019 ( -3.185 -1.695 0.366) 3.627 6.040 ( -1.708 -0.082 0.099) 1.713 6.139 ( 5.312 1.071 -2.580) 6.002 6.312 ( 2.634 0.004 0.650) 2.713 6.318 ( 2.170 0.319 0.493) 2.248 ======================= Grid point 231 (76/171) ======================= q-point: (-0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -13.491 -0.804 5.715) 14.673 0.727 ( -6.548 2.705 8.396) 10.986 0.964 ( -3.454 -1.578 4.977) 6.260 1.058 ( -0.776 -1.528 -2.355) 2.913 1.103 ( -0.417 -0.421 0.622) 0.859 1.166 ( -4.738 -0.086 -0.618) 4.779 1.342 ( -5.353 0.129 13.733) 14.740 1.545 ( -1.441 -1.435 -0.336) 2.061 1.739 ( -6.834 1.872 4.917) 8.624 1.861 ( -17.016 0.163 5.406) 17.854 1.961 ( -11.068 -0.327 -0.007) 11.073 1.993 ( -13.630 0.763 -3.578) 14.113 2.096 ( -13.588 -1.272 1.112) 13.692 2.129 ( -13.864 -0.475 0.290) 13.875 2.329 ( -3.141 1.103 10.273) 10.799 2.492 ( 1.460 0.221 -2.737) 3.110 2.574 ( 0.710 2.638 -2.867) 3.960 3.269 ( -16.282 0.315 -11.554) 19.968 3.534 ( -18.701 -1.346 2.024) 18.859 4.037 ( -7.004 -1.716 -8.387) 11.061 4.359 ( -10.684 -1.432 -4.119) 11.540 4.418 ( -7.735 1.084 -5.298) 9.438 4.697 ( 0.767 0.036 2.852) 2.954 4.869 ( 4.108 -1.415 -2.929) 5.240 4.920 ( 4.059 -1.849 3.334) 5.568 5.089 ( 4.195 -0.275 -1.987) 4.650 5.358 ( 3.104 -1.448 2.559) 4.276 5.442 ( 1.846 -1.286 0.725) 2.364 5.556 ( -1.976 -0.359 0.947) 2.220 5.566 ( -0.474 -0.105 0.202) 0.526 5.616 ( 1.148 -4.132 8.405) 9.435 5.979 ( -1.552 -1.219 1.251) 2.336 6.013 ( -1.062 0.228 0.395) 1.156 6.238 ( 5.924 2.846 -3.694) 7.539 6.366 ( 2.875 0.650 0.876) 3.075 6.367 ( 3.332 0.263 1.207) 3.553 ======================= Grid point 232 (77/171) ======================= q-point: (-0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -8.432 4.644 8.310) 12.717 0.586 ( -6.732 5.152 12.360) 14.988 0.847 ( -9.702 4.698 2.378) 11.039 1.006 ( -4.574 -1.399 -1.870) 5.136 1.032 ( -5.220 0.947 12.332) 13.425 1.170 ( 2.942 -3.836 -0.831) 4.905 1.299 ( -1.320 -0.601 10.817) 10.914 1.374 ( -16.525 -1.473 1.676) 16.675 1.530 ( -17.347 -2.049 -1.240) 17.512 1.618 ( -0.428 -0.562 -0.560) 0.901 1.687 ( -8.756 1.213 2.575) 9.207 1.857 ( -5.531 2.345 5.432) 8.099 1.935 ( -0.090 -0.284 3.420) 3.433 1.963 ( -7.176 -0.356 -1.698) 7.383 2.287 ( -1.008 1.016 11.221) 11.312 2.503 ( -6.541 0.184 -3.672) 7.503 2.569 ( -0.137 2.868 -4.355) 5.216 2.662 ( -27.307 -1.351 1.977) 27.411 3.506 ( -0.144 -2.459 -13.576) 13.797 3.710 ( -35.646 -5.305 -30.567) 47.256 4.189 ( -5.633 -1.140 -0.622) 5.780 4.240 ( -8.945 1.190 -2.936) 9.490 4.708 ( 0.367 -0.322 2.454) 2.502 4.937 ( 1.769 -2.669 -2.714) 4.197 4.989 ( 2.115 -3.095 4.786) 6.079 5.154 ( 2.245 -0.427 0.012) 2.286 5.422 ( 1.763 -3.744 3.792) 5.613 5.459 ( -0.517 -0.087 0.230) 0.573 5.502 ( -2.012 -2.650 1.744) 3.756 5.595 ( 2.068 -0.386 -2.439) 3.221 5.701 ( 3.911 -8.974 12.131) 15.588 5.970 ( -0.284 -0.914 0.817) 1.259 6.005 ( 0.762 1.209 2.091) 2.533 6.322 ( 4.489 4.186 -4.388) 7.545 6.409 ( 1.842 0.585 1.109) 2.228 6.440 ( 5.425 2.476 1.211) 6.085 ======================= Grid point 233 (78/171) ======================= q-point: (-0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 0.000 12.069 8.552) 14.792 0.407 ( 0.000 6.573 15.458) 16.797 0.677 ( 0.000 4.592 16.387) 17.018 0.962 ( -0.000 -2.020 -2.343) 3.094 0.984 ( -0.000 -0.704 12.733) 12.752 1.169 ( 0.000 0.830 0.747) 1.117 1.251 ( 0.000 0.406 -1.226) 1.291 1.298 ( -0.000 -6.389 -0.372) 6.400 1.377 ( -0.000 -0.046 5.543) 5.543 1.506 ( 0.000 0.893 4.426) 4.515 1.681 ( -0.000 -0.802 -0.425) 0.908 1.826 ( 0.000 1.966 -1.565) 2.513 1.861 ( -0.000 -0.171 -3.700) 3.704 2.176 ( 0.000 2.685 4.000) 4.818 2.213 ( -0.000 -0.614 3.108) 3.168 2.237 ( 0.000 0.435 2.307) 2.348 2.552 ( -0.000 -1.609 -1.745) 2.373 2.569 ( 0.000 0.670 -4.066) 4.121 2.644 ( -0.000 -3.143 8.098) 8.687 3.577 ( 0.000 0.576 -13.903) 13.915 4.142 ( 0.000 0.024 -0.478) 0.478 4.147 ( -0.000 -0.334 -0.536) 0.631 4.714 ( -0.000 -0.424 2.049) 2.092 4.967 ( -0.000 -2.602 -3.161) 4.094 5.025 ( -0.000 -2.703 4.443) 5.201 5.177 ( -0.000 -0.587 1.279) 1.408 5.440 ( -0.000 -0.220 0.428) 0.482 5.450 ( -0.000 -0.067 0.193) 0.204 5.525 ( -0.000 -6.896 3.519) 7.742 5.617 ( -0.000 -0.240 -2.523) 2.535 5.835 ( -0.000 -18.850 9.691) 21.195 5.972 ( -0.000 -1.058 0.207) 1.078 6.018 ( 0.000 0.540 4.159) 4.194 6.347 ( 0.000 5.272 -4.801) 7.131 6.424 ( 0.000 0.606 1.322) 1.454 6.521 ( 0.000 3.904 -3.340) 5.138 ======================= Grid point 236 (79/171) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 2.395 0.000 1.311) 2.730 0.987 ( -2.320 -0.000 -0.703) 2.424 1.123 ( 2.094 0.000 -0.033) 2.094 1.149 ( 8.169 0.000 -0.568) 8.188 1.272 ( 7.072 0.000 5.566) 9.000 1.295 ( 2.668 0.000 0.703) 2.759 1.605 ( 2.465 0.000 1.390) 2.830 1.617 ( 6.767 0.000 19.737) 20.865 1.899 ( 2.069 0.000 -3.452) 4.025 2.111 ( 5.020 0.000 0.560) 5.051 2.172 ( -3.171 -0.000 -3.945) 5.062 2.218 ( 0.326 0.000 2.140) 2.164 2.320 ( -2.351 -0.000 -1.342) 2.707 2.514 ( -1.777 -0.000 1.457) 2.298 2.565 ( 7.832 0.000 4.767) 9.168 2.756 ( 10.856 0.000 1.057) 10.908 2.830 ( 12.078 0.000 -0.005) 12.078 3.411 ( 5.845 0.000 -13.282) 14.512 4.159 ( 1.542 0.000 6.690) 6.866 4.431 ( 7.737 0.000 -2.727) 8.204 4.487 ( -2.243 -0.000 0.443) 2.286 4.561 ( 2.785 0.000 0.889) 2.924 4.588 ( -6.712 -0.000 0.114) 6.713 4.766 ( -0.613 -0.000 -3.524) 3.577 4.766 ( 5.437 0.000 3.292) 6.356 4.988 ( -1.392 -0.000 0.601) 1.516 5.290 ( 1.225 0.000 0.699) 1.411 5.402 ( -1.266 -0.000 3.111) 3.359 5.409 ( -3.666 -0.000 2.105) 4.228 5.688 ( 1.712 0.000 -1.472) 2.258 5.701 ( 2.058 0.000 1.600) 2.607 6.054 ( -2.324 -0.000 -0.767) 2.447 6.076 ( 1.959 0.000 -0.282) 1.979 6.112 ( 2.910 0.000 -1.359) 3.211 6.272 ( -1.593 -0.000 0.868) 1.814 6.288 ( -0.580 -0.000 0.268) 0.639 ======================= Grid point 237 (80/171) ======================= q-point: ( 0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.316 0.018 0.698) 0.767 0.952 ( -1.525 -0.453 0.070) 1.592 1.172 ( 2.909 0.021 0.396) 2.936 1.242 ( 1.347 0.397 -1.230) 1.866 1.343 ( 2.413 -0.210 0.563) 2.486 1.371 ( 3.458 0.314 1.754) 3.890 1.621 ( -0.930 1.295 3.632) 3.966 1.723 ( 2.867 -1.442 22.231) 22.461 1.877 ( -3.752 0.249 -3.155) 4.909 2.109 ( -3.124 0.017 -0.834) 3.233 2.189 ( 2.085 0.878 2.908) 3.685 2.232 ( 2.819 0.176 -2.151) 3.550 2.243 ( -3.830 -0.802 -1.449) 4.172 2.472 ( -2.633 0.306 2.244) 3.473 2.686 ( 4.718 0.038 1.357) 4.909 2.908 ( 5.423 0.244 1.001) 5.520 2.993 ( 5.679 0.146 -0.315) 5.690 3.531 ( 6.292 0.061 -14.063) 15.407 4.178 ( 0.518 -0.062 8.020) 8.037 4.416 ( -3.693 -0.007 -1.007) 3.828 4.450 ( -1.264 -0.217 -0.021) 1.283 4.471 ( -5.273 0.115 -0.879) 5.347 4.673 ( 6.268 0.030 1.363) 6.414 4.778 ( 1.795 0.305 -2.511) 3.101 4.900 ( 6.486 -0.117 1.267) 6.610 4.962 ( -1.469 0.155 3.318) 3.632 5.296 ( -5.358 0.255 7.420) 9.156 5.338 ( 3.541 -0.350 0.439) 3.585 5.452 ( 3.563 -0.570 -1.078) 3.766 5.692 ( -1.214 0.127 -1.914) 2.270 5.728 ( 0.681 -0.060 0.911) 1.139 6.032 ( -0.127 0.076 0.232) 0.275 6.116 ( 2.255 -0.006 -0.527) 2.315 6.148 ( 0.933 0.217 -2.780) 2.940 6.257 ( 0.017 0.139 1.802) 1.808 6.287 ( 0.243 -0.083 0.252) 0.359 ======================= Grid point 238 (81/171) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -1.009 -0.000 0.523) 1.137 0.931 ( -1.079 -0.933 0.077) 1.428 1.185 ( -5.608 1.709 0.708) 5.905 1.227 ( 1.840 -0.712 -0.192) 1.982 1.374 ( 1.179 2.382 0.643) 2.734 1.422 ( 2.364 -1.885 -0.239) 3.033 1.559 ( -4.259 0.616 3.147) 5.331 1.668 ( -6.801 -0.583 4.240) 8.035 1.869 ( 2.275 -0.532 19.304) 19.445 2.064 ( -1.539 -0.229 2.140) 2.645 2.181 ( -0.693 0.774 -0.353) 1.097 2.227 ( 1.193 -0.292 -0.675) 1.402 2.311 ( 3.383 -0.090 -2.521) 4.220 2.414 ( -2.824 1.180 1.785) 3.543 2.740 ( 1.177 0.090 -0.669) 1.356 2.969 ( 1.547 0.292 1.094) 1.917 3.062 ( 2.068 0.071 -0.708) 2.187 3.629 ( 3.707 -0.055 -14.751) 15.210 4.180 ( -0.228 -0.111 7.248) 7.253 4.347 ( -3.904 0.365 -0.976) 4.040 4.403 ( -1.215 -0.218 0.195) 1.250 4.444 ( 0.334 -0.176 -0.708) 0.803 4.776 ( 4.307 0.201 0.808) 4.386 4.819 ( 2.439 0.452 -0.708) 2.579 4.928 ( -2.085 0.078 4.273) 4.755 4.984 ( 2.543 -0.322 0.017) 2.564 5.212 ( -3.194 0.100 8.736) 9.302 5.418 ( 4.599 -0.437 0.088) 4.621 5.532 ( 4.070 -0.552 -0.532) 4.142 5.649 ( -2.874 -0.126 -1.581) 3.283 5.725 ( -0.912 0.219 0.531) 1.078 6.038 ( 0.505 0.071 0.416) 0.658 6.152 ( -0.105 0.138 -2.869) 2.875 6.155 ( 1.690 0.021 -0.644) 1.809 6.262 ( 0.297 0.220 1.844) 1.881 6.293 ( 0.322 -0.104 0.248) 0.420 ======================= Grid point 239 (82/171) ======================= q-point: ( 0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.836 0.726 0.665) 1.291 0.932 ( 1.232 -1.298 -0.389) 1.831 1.078 ( -2.497 1.912 3.679) 4.840 1.252 ( 0.156 -0.668 -1.015) 1.225 1.383 ( 1.571 3.005 1.525) 3.718 1.475 ( -0.174 -0.566 0.332) 0.679 1.484 ( -0.747 -0.330 1.868) 2.039 1.587 ( -1.374 -2.375 -0.929) 2.897 1.899 ( -0.026 -0.909 24.020) 24.037 2.055 ( 0.375 -0.428 3.799) 3.841 2.161 ( -2.271 -0.560 0.357) 2.366 2.238 ( -0.373 0.010 -2.140) 2.172 2.345 ( 0.196 0.161 -2.331) 2.344 2.377 ( 0.351 2.200 1.216) 2.538 2.742 ( -0.598 -0.311 -1.280) 1.447 2.975 ( -0.629 -0.015 1.098) 1.265 3.079 ( -0.139 -0.008 -1.192) 1.200 3.663 ( -0.295 -0.286 -14.970) 14.976 4.180 ( 0.302 0.010 6.492) 6.499 4.292 ( -1.301 -0.057 -0.633) 1.448 4.407 ( 1.070 0.080 0.125) 1.080 4.454 ( 0.409 0.046 -0.959) 1.044 4.813 ( -0.635 -0.032 0.468) 0.789 4.837 ( -1.534 -0.008 -0.295) 1.562 4.901 ( 0.313 -0.029 5.048) 5.058 5.016 ( 0.910 0.021 -0.241) 0.942 5.179 ( -0.266 -0.086 9.559) 9.563 5.509 ( 4.331 -0.332 -0.148) 4.347 5.557 ( -2.033 2.165 -0.804) 3.077 5.633 ( 1.596 -2.092 -1.087) 2.847 5.695 ( -1.849 0.371 0.706) 2.014 6.042 ( -0.173 -0.012 0.356) 0.396 6.148 ( -0.224 0.010 -2.771) 2.780 6.172 ( -0.031 0.056 -0.771) 0.773 6.260 ( -0.489 -0.038 1.880) 1.943 6.299 ( 0.267 0.021 0.175) 0.320 ======================= Grid point 240 (83/171) ======================= q-point: (-0.57 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.680 0.180 1.325) 1.500 0.988 ( 3.357 1.136 -0.613) 3.597 1.086 ( 2.330 -1.095 3.545) 4.382 1.237 ( -2.037 -0.553 -0.967) 2.321 1.369 ( -3.734 0.341 1.473) 4.029 1.438 ( -0.303 0.612 0.626) 0.926 1.557 ( 6.439 0.875 5.368) 8.428 1.653 ( 6.558 -1.343 -2.578) 7.173 1.877 ( -2.510 -1.349 19.605) 19.811 2.075 ( 0.754 0.196 3.403) 3.491 2.114 ( -1.080 -1.496 -0.233) 1.860 2.212 ( -2.238 -0.756 -0.181) 2.369 2.313 ( -3.343 -0.080 -2.241) 4.026 2.407 ( 3.119 1.529 1.853) 3.937 2.726 ( -1.469 -0.518 -0.779) 1.742 2.948 ( -2.524 -0.487 0.892) 2.721 3.055 ( -2.582 -0.151 -1.295) 2.893 3.621 ( -4.174 -0.438 -14.948) 15.526 4.190 ( 0.625 0.260 6.871) 6.905 4.307 ( 2.563 -1.057 -0.345) 2.794 4.435 ( 2.176 0.931 -0.085) 2.368 4.459 ( 0.484 0.347 -0.669) 0.896 4.761 ( -4.412 -0.330 0.446) 4.447 4.783 ( -3.457 -0.851 -0.641) 3.618 4.924 ( 1.414 -0.050 4.890) 5.091 5.008 ( -2.100 0.524 0.181) 2.172 5.200 ( 2.234 -0.336 9.061) 9.338 5.477 ( -3.816 1.998 0.286) 4.317 5.579 ( 0.501 1.565 -1.353) 2.129 5.642 ( 0.453 -0.989 -1.830) 2.129 5.697 ( 1.328 -0.970 1.497) 2.223 6.031 ( -0.916 -0.180 0.379) 1.008 6.141 ( -0.835 -0.263 -2.810) 2.944 6.155 ( -1.561 0.028 -0.935) 1.820 6.247 ( -0.741 -0.297 2.123) 2.268 6.301 ( -0.033 0.187 0.022) 0.192 ======================= Grid point 241 (84/171) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -0.184 0.214 1.460) 1.487 1.014 ( 0.180 1.825 -0.481) 1.895 1.122 ( -0.740 -3.688 1.507) 4.052 1.189 ( -2.858 -0.920 -0.995) 3.163 1.260 ( -7.852 -2.371 1.844) 8.407 1.418 ( -1.826 1.685 -0.284) 2.501 1.627 ( -0.650 2.486 16.627) 16.824 1.789 ( 2.536 0.470 4.203) 4.931 1.851 ( 2.539 -0.543 0.309) 2.615 2.098 ( 2.967 -0.736 -0.615) 3.119 2.134 ( -0.867 -0.528 3.647) 3.786 2.218 ( 2.738 -1.387 -0.916) 3.204 2.242 ( -1.675 -0.976 -1.043) 2.201 2.455 ( 2.223 0.206 2.800) 3.581 2.680 ( -3.838 -0.153 0.811) 3.925 2.877 ( -5.675 -0.848 0.540) 5.764 2.974 ( -6.463 -0.472 -0.901) 6.543 3.519 ( -6.461 -0.424 -14.498) 15.878 4.188 ( -0.823 0.329 7.526) 7.578 4.382 ( 3.746 -1.536 -0.891) 4.146 4.478 ( 2.384 0.825 -0.148) 2.528 4.496 ( 5.235 1.366 -0.402) 5.425 4.668 ( -5.211 -0.131 1.055) 5.318 4.733 ( -2.089 -1.350 -1.490) 2.899 4.916 ( -7.540 0.428 1.410) 7.683 4.949 ( 1.142 -0.187 2.926) 3.147 5.262 ( 3.907 -0.902 8.658) 9.541 5.398 ( -3.279 2.135 0.600) 3.959 5.522 ( -3.704 1.725 -1.551) 4.371 5.681 ( 0.898 -0.117 -0.953) 1.315 5.717 ( 0.568 -0.927 0.497) 1.195 6.019 ( -0.114 -0.437 0.183) 0.487 6.112 ( -2.297 -0.656 -1.756) 2.965 6.119 ( -2.328 -0.296 -1.179) 2.627 6.244 ( 0.470 -0.220 1.618) 1.699 6.297 ( -0.209 0.268 -0.058) 0.345 ======================= Grid point 242 (85/171) ======================= q-point: (-0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.720 0.517 1.321) 1.591 0.985 ( -2.485 -0.152 1.403) 2.857 1.079 ( -7.018 -3.327 1.340) 7.881 1.097 ( -6.574 -0.418 0.557) 6.611 1.163 ( -2.819 -3.424 -0.206) 4.440 1.357 ( -3.548 1.101 -0.536) 3.753 1.541 ( -6.100 0.708 19.158) 20.118 1.733 ( -4.306 1.984 2.009) 5.149 1.902 ( -0.735 0.271 -1.822) 1.983 2.087 ( -4.429 -0.730 3.026) 5.413 2.170 ( 3.453 -0.348 -2.746) 4.426 2.206 ( 0.585 -0.460 2.797) 2.895 2.329 ( 2.019 0.088 -2.137) 2.942 2.501 ( 3.100 -0.372 2.191) 3.814 2.578 ( -6.662 0.319 3.407) 7.490 2.731 ( -10.276 -0.855 0.191) 10.313 2.802 ( -12.548 -0.898 -0.153) 12.581 3.402 ( -5.505 -0.286 -13.765) 14.828 4.158 ( -2.162 -0.032 6.087) 6.460 4.402 ( -5.655 -1.145 -3.447) 6.721 4.527 ( 2.871 1.515 0.574) 3.296 4.566 ( -4.597 0.353 2.956) 5.477 4.625 ( 6.716 1.483 -0.843) 6.929 4.721 ( -0.578 -1.350 -1.471) 2.078 4.763 ( -4.082 -0.385 2.621) 4.866 4.969 ( 0.864 -0.588 -0.697) 1.257 5.336 ( -0.670 0.549 3.814) 3.911 5.352 ( 3.014 -0.843 5.964) 6.735 5.452 ( -2.148 1.456 -0.969) 2.770 5.660 ( -2.520 -0.245 1.027) 2.732 5.715 ( -1.789 -0.220 -0.817) 1.979 6.043 ( 1.157 -0.480 -0.733) 1.451 6.069 ( -1.516 -1.447 -0.771) 2.233 6.076 ( -1.831 -0.034 -0.694) 1.958 6.267 ( 1.855 -0.087 0.807) 2.024 6.297 ( 0.571 0.276 0.090) 0.641 ======================= Grid point 243 (86/171) ======================= q-point: (-0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -6.881 -0.819 2.819) 7.481 0.884 ( -9.768 0.953 4.621) 10.848 0.947 ( -1.580 -3.103 3.849) 5.191 1.054 ( -1.217 -1.729 -0.448) 2.162 1.117 ( -2.978 -1.424 -0.679) 3.370 1.275 ( -4.959 0.481 -1.544) 5.216 1.429 ( -5.420 -1.241 15.817) 16.766 1.629 ( -5.476 1.986 0.545) 5.851 1.849 ( -3.735 0.967 2.040) 4.365 2.004 ( -4.423 -0.813 3.977) 6.004 2.160 ( -6.889 0.823 1.656) 7.133 2.190 ( -3.282 -0.422 -3.872) 5.093 2.285 ( -7.208 -0.445 -0.583) 7.245 2.428 ( -6.634 0.810 7.260) 9.868 2.481 ( -17.591 -0.919 -0.194) 17.616 2.543 ( -9.350 -0.179 -0.118) 9.353 2.582 ( 1.853 1.309 -0.391) 2.302 3.335 ( -1.413 0.094 -13.930) 14.002 4.069 ( -27.627 -0.628 1.457) 27.672 4.109 ( -3.332 -0.588 1.358) 3.645 4.495 ( -4.129 -0.255 -0.964) 4.248 4.534 ( -2.570 1.609 -1.503) 3.385 4.675 ( 1.340 -0.285 1.762) 2.232 4.769 ( 3.726 -1.586 -2.061) 4.543 4.823 ( 5.953 1.389 1.315) 6.252 5.003 ( 2.875 -1.365 -2.970) 4.354 5.321 ( 0.449 0.766 2.053) 2.237 5.388 ( -0.362 -3.034 3.982) 5.020 5.479 ( 4.596 -0.000 5.851) 7.441 5.608 ( -2.801 -0.348 0.512) 2.868 5.654 ( -4.357 -0.296 -0.068) 4.367 6.002 ( -3.058 -1.587 0.646) 3.506 6.039 ( -1.677 -0.087 0.035) 1.680 6.148 ( 6.129 0.758 -2.872) 6.811 6.312 ( 2.717 0.008 0.736) 2.815 6.321 ( 2.247 0.330 0.593) 2.347 ======================= Grid point 244 (87/171) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -10.553 1.653 5.062) 11.820 0.754 ( -5.702 2.489 9.901) 11.693 0.944 ( -1.160 -2.221 4.353) 5.023 1.043 ( -1.080 -1.378 -1.792) 2.505 1.091 ( -0.775 -1.910 -0.577) 2.140 1.167 ( -5.659 0.100 -1.269) 5.801 1.340 ( -4.996 -0.612 12.408) 13.390 1.531 ( -4.028 -1.122 0.380) 4.199 1.759 ( -5.868 1.940 5.729) 8.427 1.866 ( -16.608 0.683 6.382) 17.805 1.958 ( -12.139 -0.402 0.569) 12.159 1.997 ( -12.860 0.155 -3.377) 13.297 2.087 ( -12.924 -0.373 1.122) 12.978 2.122 ( -13.564 -0.845 0.226) 13.593 2.341 ( -2.917 1.302 10.017) 10.514 2.494 ( 1.441 0.175 -2.850) 3.198 2.604 ( 1.258 3.119 -2.981) 4.494 3.272 ( -17.554 0.378 -10.930) 20.682 3.519 ( -17.994 -1.582 1.083) 18.096 4.016 ( -9.072 -2.478 -9.499) 13.367 4.347 ( -11.867 -0.948 -3.279) 12.348 4.427 ( -7.356 0.679 -5.118) 8.986 4.698 ( 0.729 0.023 2.898) 2.989 4.851 ( 3.248 -2.349 -2.176) 4.561 4.900 ( 2.599 -1.958 4.483) 5.539 5.085 ( 4.309 -0.555 -1.789) 4.698 5.342 ( 1.107 -1.830 5.009) 5.446 5.423 ( 2.407 -2.411 1.953) 3.927 5.552 ( 0.180 -0.464 3.026) 3.067 5.563 ( -2.526 -0.435 0.893) 2.715 5.584 ( -0.339 -2.142 3.261) 3.917 5.968 ( -1.067 -0.946 1.467) 2.046 6.014 ( -0.840 0.091 0.565) 1.016 6.263 ( 6.385 2.111 -4.204) 7.931 6.367 ( 2.886 0.022 1.039) 3.068 6.377 ( 4.226 1.255 1.320) 4.601 ======================= Grid point 245 (88/171) ======================= q-point: (-0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -2.983 8.807 6.149) 11.148 0.641 ( -4.509 5.608 12.804) 14.688 0.891 ( -5.437 3.655 -0.176) 6.554 0.990 ( -5.287 -1.880 -0.174) 5.615 1.050 ( -6.210 2.613 9.832) 11.919 1.124 ( 2.118 -5.050 -1.425) 5.658 1.287 ( -0.381 -1.816 9.871) 10.043 1.358 ( -17.190 -1.606 2.568) 17.454 1.515 ( -17.157 -0.914 -0.407) 17.186 1.613 ( -3.318 -0.608 0.709) 3.447 1.695 ( -8.424 0.375 3.696) 9.207 1.885 ( -4.286 3.141 4.343) 6.862 1.931 ( -1.698 -0.495 1.749) 2.487 1.960 ( -4.774 -0.255 0.662) 4.827 2.299 ( -0.971 1.427 11.320) 11.451 2.505 ( -6.835 0.303 -3.488) 7.679 2.603 ( -0.165 3.792 -4.126) 5.607 2.645 ( -27.185 -1.989 2.033) 27.334 3.470 ( -11.956 -4.932 -16.872) 21.259 3.650 ( -28.365 -6.365 -23.856) 37.606 4.178 ( -4.861 -1.065 0.305) 4.985 4.251 ( -9.590 1.114 -3.444) 10.251 4.704 ( 0.015 -0.485 2.670) 2.713 4.889 ( -1.043 -6.636 4.399) 8.030 4.963 ( 2.692 -1.835 2.824) 4.312 5.147 ( 1.746 -0.989 0.627) 2.102 5.377 ( 1.118 -4.515 8.303) 9.517 5.457 ( -0.223 -0.369 0.100) 0.443 5.481 ( -3.811 -1.388 1.343) 4.272 5.587 ( 2.103 -1.427 -1.851) 3.144 5.631 ( 1.785 -4.942 7.638) 9.271 5.963 ( -0.196 -0.420 0.546) 0.716 6.015 ( 1.092 0.741 2.733) 3.035 6.350 ( 3.531 1.641 -3.468) 5.214 6.412 ( 1.847 0.213 1.383) 2.317 6.474 ( 7.287 3.762 -1.001) 8.262 ======================= Grid point 246 (89/171) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 0.000 14.041 4.588) 14.771 0.492 ( 0.000 10.025 11.845) 15.518 0.743 ( 0.000 8.433 12.727) 15.267 0.936 ( -0.000 -2.915 -1.218) 3.160 0.977 ( -0.000 -0.427 12.954) 12.961 1.177 ( 0.000 0.540 0.564) 0.781 1.225 ( -0.000 -7.934 -0.176) 7.936 1.257 ( 0.000 0.852 -1.354) 1.600 1.360 ( -0.000 -3.278 6.984) 7.715 1.519 ( 0.000 1.605 4.060) 4.365 1.675 ( -0.000 -0.568 -0.149) 0.588 1.849 ( 0.000 2.533 -2.566) 3.606 1.858 ( -0.000 -0.301 -3.636) 3.649 2.204 ( -0.000 -1.091 3.334) 3.508 2.211 ( 0.000 4.035 3.372) 5.259 2.243 ( 0.000 0.790 2.223) 2.360 2.505 ( -0.000 -7.071 9.015) 11.457 2.594 ( 0.000 3.395 -4.801) 5.880 2.614 ( -0.000 -2.381 2.453) 3.419 3.584 ( 0.000 0.634 -14.265) 14.279 4.142 ( -0.000 -0.268 -0.540) 0.603 4.143 ( -0.000 -0.293 -0.516) 0.593 4.708 ( -0.000 -0.883 2.321) 2.483 4.912 ( -0.000 -8.335 5.791) 10.149 5.000 ( -0.000 -1.884 2.857) 3.422 5.168 ( -0.000 -1.361 2.272) 2.648 5.435 ( -0.000 -9.081 11.279) 14.480 5.437 ( -0.000 -0.373 0.430) 0.569 5.449 ( -0.000 -0.146 0.149) 0.209 5.613 ( -0.000 -0.573 -2.672) 2.733 5.692 ( -0.000 -9.541 8.679) 12.898 5.963 ( -0.000 -0.645 -0.096) 0.652 6.028 ( 0.000 0.983 4.099) 4.215 6.377 ( 0.000 1.466 -2.804) 3.164 6.429 ( 0.000 0.390 1.435) 1.487 6.561 ( 0.000 3.635 -6.172) 7.163 ======================= Grid point 251 (90/171) ======================= q-point: ( 0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.821 -0.000 0.416) 0.920 0.926 ( -1.232 -0.000 0.180) 1.245 1.194 ( -5.772 -0.000 0.484) 5.792 1.222 ( 2.150 0.000 -0.011) 2.150 1.397 ( 3.192 0.000 -0.221) 3.199 1.403 ( 0.539 0.000 0.306) 0.620 1.563 ( -4.551 -0.000 2.027) 4.983 1.664 ( -6.843 -0.000 6.128) 9.186 1.867 ( 2.169 0.000 18.941) 19.065 2.063 ( -1.612 -0.000 2.072) 2.626 2.185 ( -1.290 -0.000 -0.398) 1.350 2.225 ( 1.558 0.000 -0.455) 1.623 2.310 ( 3.468 0.000 -2.582) 4.324 2.420 ( -2.597 -0.000 1.532) 3.015 2.740 ( 1.113 0.000 -0.657) 1.292 2.971 ( 1.474 0.000 1.127) 1.855 3.062 ( 2.031 0.000 -0.652) 2.133 3.629 ( 3.651 0.000 -14.723) 15.169 4.180 ( -0.205 -0.000 7.274) 7.277 4.348 ( -3.884 -0.000 -1.007) 4.012 4.402 ( -1.267 -0.000 0.185) 1.281 4.443 ( 0.396 0.000 -0.711) 0.814 4.777 ( 4.295 0.000 0.838) 4.376 4.822 ( 2.381 0.000 -0.677) 2.475 4.928 ( -2.162 -0.000 4.210) 4.732 4.983 ( 2.579 0.000 -0.001) 2.579 5.212 ( -3.268 -0.000 8.705) 9.298 5.416 ( 4.666 0.000 0.062) 4.666 5.529 ( 4.421 0.000 -0.468) 4.445 5.649 ( -3.070 -0.000 -1.570) 3.448 5.726 ( -0.874 -0.000 0.490) 1.002 6.038 ( 0.481 0.000 0.419) 0.638 6.153 ( -0.179 -0.000 -2.886) 2.891 6.155 ( 1.728 0.000 -0.601) 1.830 6.263 ( 0.241 0.000 1.808) 1.824 6.292 ( 0.348 0.000 0.264) 0.437 ======================= Grid point 252 (91/171) ======================= q-point: ( 0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.523 1.082 0.202) 1.219 0.918 ( 1.991 -1.331 -0.140) 2.399 1.093 ( -2.918 0.918 3.433) 4.598 1.246 ( 0.151 -0.369 -0.738) 0.839 1.411 ( 1.629 2.100 1.001) 2.840 1.470 ( -0.036 -0.255 0.149) 0.298 1.478 ( 0.103 -0.692 0.525) 0.875 1.567 ( -2.691 -1.313 1.362) 3.289 1.892 ( -0.123 -0.342 24.045) 24.048 2.052 ( 0.418 -0.189 3.710) 3.739 2.158 ( -2.459 -0.192 0.534) 2.524 2.238 ( -0.453 0.004 -2.104) 2.152 2.346 ( 0.095 0.027 -2.379) 2.381 2.393 ( 0.388 0.952 0.735) 1.263 2.740 ( -0.771 -0.147 -1.219) 1.450 2.975 ( -0.788 -0.006 1.140) 1.386 3.079 ( -0.166 -0.004 -1.153) 1.164 3.661 ( -0.365 -0.128 -14.930) 14.935 4.180 ( 0.376 0.005 6.489) 6.500 4.291 ( -1.613 -0.025 -0.649) 1.739 4.408 ( 1.321 0.036 0.105) 1.325 4.454 ( 0.510 0.021 -0.960) 1.087 4.813 ( -0.793 -0.014 0.451) 0.912 4.837 ( -1.909 -0.004 -0.266) 1.928 4.901 ( 0.394 -0.013 5.067) 5.083 5.016 ( 1.134 0.009 -0.246) 1.160 5.179 ( -0.321 -0.038 9.552) 9.557 5.506 ( 4.480 -0.098 -0.144) 4.483 5.579 ( -2.328 1.961 -1.022) 3.210 5.612 ( 2.350 -1.937 -0.729) 3.131 5.697 ( -1.964 0.124 0.565) 2.047 6.042 ( -0.214 -0.005 0.355) 0.415 6.148 ( -0.279 0.004 -2.773) 2.787 6.172 ( -0.035 0.025 -0.750) 0.751 6.259 ( -0.613 -0.017 1.848) 1.947 6.299 ( 0.331 0.009 0.184) 0.379 ======================= Grid point 253 (92/171) ======================= q-point: (-0.64 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.585 0.017 1.304) 1.430 0.997 ( 4.187 0.623 -0.667) 4.286 1.080 ( 0.724 -0.110 3.969) 4.036 1.231 ( -2.037 -0.642 -0.785) 2.276 1.368 ( -5.900 -0.361 1.308) 6.054 1.448 ( 0.970 1.042 1.024) 1.754 1.569 ( 6.451 1.286 3.944) 7.670 1.638 ( 8.768 -1.552 -2.311) 9.199 1.863 ( -2.911 -1.216 20.056) 20.302 2.077 ( 1.026 0.105 3.708) 3.849 2.104 ( -1.306 -0.687 -0.334) 1.513 2.206 ( -2.854 -0.410 0.228) 2.892 2.313 ( -3.394 -0.047 -2.275) 4.086 2.420 ( 2.464 1.059 1.366) 3.010 2.721 ( -1.376 -0.351 -0.768) 1.615 2.944 ( -2.677 -0.270 0.905) 2.839 3.054 ( -2.660 -0.077 -1.360) 2.989 3.618 ( -4.181 -0.294 -14.940) 15.517 4.192 ( 0.714 0.153 6.813) 6.852 4.298 ( 2.235 -0.599 -0.252) 2.328 4.442 ( 2.489 0.550 -0.166) 2.555 4.461 ( 0.575 0.183 -0.674) 0.905 4.759 ( -4.416 -0.180 0.397) 4.438 4.776 ( -3.669 -0.475 -0.540) 3.739 4.923 ( 1.365 -0.024 4.950) 5.135 5.012 ( -2.033 0.286 0.200) 2.063 5.197 ( 2.106 -0.191 9.107) 9.349 5.494 ( -3.734 1.295 0.264) 3.961 5.595 ( 1.323 1.693 -1.545) 2.646 5.630 ( 0.159 -1.520 -1.817) 2.374 5.689 ( 1.193 -0.592 1.737) 2.189 6.030 ( -1.002 -0.104 0.376) 1.076 6.138 ( -0.994 -0.141 -2.810) 2.984 6.155 ( -1.595 0.022 -0.947) 1.855 6.245 ( -0.747 -0.159 2.121) 2.254 6.303 ( 0.006 0.104 -0.015) 0.106 ======================= Grid point 254 (93/171) ======================= q-point: (-0.57 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.123 0.189 1.736) 1.751 1.030 ( -0.229 1.287 -0.449) 1.383 1.087 ( -1.270 -3.103 2.768) 4.348 1.180 ( -3.316 -0.767 -1.119) 3.583 1.242 ( -7.753 -1.192 1.582) 8.002 1.431 ( -2.147 1.012 -0.376) 2.403 1.652 ( -1.069 2.331 18.217) 18.396 1.792 ( 3.670 0.260 1.199) 3.869 1.845 ( 3.073 -0.607 0.643) 3.197 2.090 ( 3.163 -0.675 -0.850) 3.344 2.132 ( -1.787 0.073 4.129) 4.499 2.200 ( 5.870 -1.933 -0.178) 6.183 2.236 ( -3.821 -0.348 -0.958) 3.954 2.458 ( 1.647 0.287 2.497) 3.005 2.679 ( -3.588 -0.105 0.664) 3.650 2.870 ( -5.722 -0.569 0.467) 5.769 2.971 ( -6.607 -0.300 -1.057) 6.698 3.516 ( -6.393 -0.318 -14.587) 15.930 4.191 ( -0.913 0.248 7.435) 7.495 4.368 ( 3.838 -1.122 -0.692) 4.058 4.486 ( 2.530 0.580 -0.180) 2.602 4.508 ( 5.356 1.054 -0.583) 5.490 4.667 ( -4.979 -0.091 1.007) 5.081 4.722 ( -2.211 -0.984 -1.161) 2.684 4.919 ( -7.792 0.298 1.434) 7.928 4.948 ( 1.109 -0.090 2.851) 3.060 5.255 ( 3.604 -0.602 8.931) 9.650 5.418 ( -3.355 1.709 0.501) 3.798 5.536 ( -3.995 1.041 -1.571) 4.417 5.681 ( 1.374 0.201 -0.835) 1.621 5.707 ( 0.624 -1.099 0.620) 1.408 6.015 ( -0.199 -0.324 0.184) 0.423 6.105 ( -2.692 -0.612 -1.910) 3.357 6.118 ( -2.261 -0.032 -0.961) 2.457 6.242 ( 0.567 -0.119 1.553) 1.658 6.299 ( -0.209 0.181 -0.141) 0.311 ======================= Grid point 255 (94/171) ======================= q-point: (-0.50 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -0.833 0.008 1.146) 1.417 0.984 ( -4.019 -0.105 1.860) 4.430 1.046 ( -5.686 -2.975 2.856) 7.024 1.095 ( -6.405 -0.030 0.471) 6.422 1.135 ( -2.560 -2.273 -1.162) 3.615 1.364 ( -4.378 0.251 -0.157) 4.388 1.550 ( -6.842 1.053 18.346) 19.609 1.751 ( -4.241 1.455 0.996) 4.593 1.905 ( -0.479 0.283 -1.196) 1.319 2.080 ( -4.215 -0.575 3.732) 5.659 2.166 ( 3.460 -0.399 -2.312) 4.180 2.201 ( 0.936 -0.413 2.960) 3.132 2.329 ( 2.514 0.044 -2.430) 3.497 2.498 ( 3.735 -0.283 2.334) 4.414 2.581 ( -6.604 0.185 3.210) 7.345 2.724 ( -10.110 -0.629 -0.094) 10.130 2.794 ( -12.733 -0.687 -0.301) 12.755 3.400 ( -5.385 -0.211 -13.937) 14.943 4.158 ( -2.407 -0.033 5.891) 6.363 4.392 ( -5.051 -0.934 -3.519) 6.227 4.541 ( 3.210 1.259 0.589) 3.497 4.570 ( -4.852 0.338 3.380) 5.923 4.640 ( 6.246 1.341 -1.158) 6.492 4.709 ( -0.231 -1.134 -1.289) 1.732 4.759 ( -3.936 -0.346 2.876) 4.887 4.964 ( 0.377 -0.495 -1.084) 1.250 5.326 ( 2.224 -1.587 9.726) 10.102 5.361 ( -1.203 1.456 0.854) 2.073 5.464 ( -2.233 0.975 -0.742) 2.547 5.659 ( -2.579 -0.001 1.334) 2.903 5.712 ( -1.617 -0.381 -1.049) 1.965 6.039 ( -0.161 -0.414 -0.640) 0.779 6.056 ( 0.069 -1.186 -0.823) 1.445 6.076 ( -1.981 0.007 -0.707) 2.103 6.267 ( 1.900 -0.051 0.806) 2.065 6.299 ( 0.556 0.210 0.021) 0.595 ======================= Grid point 256 (95/171) ======================= q-point: (-0.43 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -8.047 -1.013 2.162) 8.394 0.892 ( -7.336 -0.896 6.641) 9.936 0.932 ( -1.485 1.049 2.667) 3.228 1.038 ( -1.305 -1.424 -0.400) 1.972 1.100 ( -2.583 -2.082 -1.664) 3.711 1.273 ( -5.447 -0.934 -0.668) 5.567 1.420 ( -6.215 -0.480 14.654) 15.925 1.646 ( -5.955 1.441 0.471) 6.145 1.857 ( -3.383 0.678 3.000) 4.573 1.997 ( -4.494 -0.611 4.996) 6.748 2.166 ( -5.478 0.410 1.117) 5.606 2.189 ( -4.191 0.205 -2.973) 5.142 2.280 ( -7.413 -0.640 -0.350) 7.449 2.437 ( -6.386 0.817 7.172) 9.638 2.475 ( -18.664 -0.429 -0.023) 18.668 2.540 ( -8.577 -0.429 -0.753) 8.620 2.594 ( 3.555 1.112 -0.792) 3.808 3.336 ( -1.135 0.063 -14.087) 14.133 4.063 ( -28.052 -0.564 1.155) 28.082 4.103 ( -3.742 -0.578 1.005) 3.917 4.493 ( -3.730 -0.082 -0.366) 3.749 4.551 ( -3.065 1.670 -1.532) 3.812 4.672 ( 1.329 -0.398 1.881) 2.337 4.753 ( 3.474 -1.452 -1.724) 4.141 4.840 ( 5.223 2.015 0.811) 5.656 4.986 ( 2.705 -2.132 -3.233) 4.724 5.323 ( -0.846 -0.825 5.970) 6.086 5.359 ( -0.317 -2.033 4.385) 4.844 5.484 ( 3.969 0.728 3.922) 5.627 5.606 ( -2.712 -0.091 0.392) 2.742 5.651 ( -4.517 -0.294 -0.319) 4.538 5.988 ( -2.862 -1.281 0.898) 3.262 6.039 ( -1.678 -0.080 -0.024) 1.681 6.154 ( 6.809 0.447 -3.089) 7.490 6.312 ( 2.762 0.004 0.811) 2.879 6.324 ( 2.358 0.280 0.691) 2.473 ======================= Grid point 257 (96/171) ======================= q-point: (-0.36 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -6.807 3.795 3.427) 8.514 0.771 ( -5.067 0.786 12.180) 13.216 0.927 ( 0.030 -0.739 2.157) 2.280 1.032 ( -0.857 -0.793 -1.182) 1.661 1.068 ( -1.551 -2.493 -1.370) 3.240 1.164 ( -6.021 -0.835 -1.249) 6.206 1.328 ( -4.588 -1.755 11.452) 12.461 1.524 ( -6.230 -0.387 0.918) 6.310 1.776 ( -5.348 1.563 6.618) 8.651 1.873 ( -14.746 0.679 7.418) 16.521 1.952 ( -15.157 -0.825 0.938) 15.208 2.001 ( -11.488 0.945 -2.906) 11.887 2.086 ( -11.875 0.048 0.845) 11.905 2.113 ( -13.402 -1.005 0.355) 13.444 2.354 ( -2.689 1.222 9.861) 10.294 2.496 ( 1.439 0.150 -3.065) 3.389 2.634 ( 1.789 2.918 -3.088) 4.610 3.276 ( -19.237 0.353 -10.087) 21.724 3.504 ( -16.763 -1.457 -0.084) 16.827 3.989 ( -11.845 -2.836 -10.710) 16.219 4.341 ( -13.182 -0.281 -2.388) 13.399 4.431 ( -7.048 0.156 -4.834) 8.548 4.698 ( 0.800 -0.009 3.022) 3.126 4.823 ( 1.237 -3.083 0.348) 3.340 4.884 ( 2.058 -1.292 4.339) 4.974 5.078 ( 4.375 -0.923 -1.629) 4.759 5.322 ( 0.033 -2.037 8.287) 8.534 5.399 ( 3.133 -2.253 1.990) 4.342 5.548 ( 1.291 -0.161 4.454) 4.640 5.558 ( -4.884 -0.491 0.530) 4.938 5.571 ( -0.272 -0.736 -0.458) 0.909 5.961 ( -0.433 -0.577 1.858) 1.993 6.014 ( -0.775 -0.075 0.560) 0.959 6.280 ( 6.246 1.238 -4.326) 7.698 6.367 ( 2.903 0.005 1.266) 3.168 6.390 ( 5.304 1.310 1.213) 5.596 ======================= Grid point 258 (97/171) ======================= q-point: (-0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 1.019 10.256 3.426) 10.861 0.693 ( -2.266 4.872 13.963) 14.961 0.918 ( -1.859 1.883 -0.356) 2.670 0.970 ( -6.318 -1.962 1.350) 6.752 1.053 ( -1.431 -3.630 0.442) 3.927 1.099 ( -1.923 1.599 1.396) 2.864 1.264 ( -1.703 -2.711 8.832) 9.395 1.344 ( -16.110 -0.883 4.179) 16.667 1.513 ( -17.617 0.374 0.397) 17.625 1.607 ( -5.624 -0.538 2.395) 6.136 1.696 ( -7.916 -0.109 4.714) 9.214 1.916 ( -3.311 2.820 5.516) 7.024 1.926 ( -3.722 -0.385 -1.748) 4.130 1.958 ( -2.100 -0.076 3.254) 3.874 2.314 ( -0.922 1.525 11.341) 11.480 2.509 ( -7.247 0.407 -3.231) 7.945 2.624 ( -27.878 -2.229 2.371) 28.067 2.642 ( 0.725 3.762 -4.222) 5.701 3.406 ( -31.344 -7.682 -19.038) 37.469 3.594 ( -13.166 -4.571 -17.111) 22.069 4.168 ( -4.462 -0.881 0.975) 4.651 4.261 ( -9.961 0.873 -3.558) 10.613 4.699 ( -0.627 -0.632 3.468) 3.580 4.818 ( -3.030 -6.991 10.550) 13.014 4.950 ( 3.140 -0.909 0.609) 3.325 5.134 ( 1.214 -1.428 0.874) 2.068 5.344 ( 1.074 -2.027 8.958) 9.247 5.452 ( 0.400 -0.731 0.012) 0.834 5.471 ( -3.913 -0.757 0.770) 4.060 5.561 ( 1.264 -3.490 1.475) 3.994 5.603 ( 1.222 -1.222 1.785) 2.484 5.962 ( 0.008 0.205 0.551) 0.588 6.019 ( 1.270 0.185 3.093) 3.349 6.361 ( 2.886 0.613 -2.490) 3.861 6.414 ( 1.877 0.063 1.759) 2.573 6.508 ( 7.631 3.050 -2.248) 8.520 ======================= Grid point 259 (98/171) ======================= q-point: (-0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 11.400 5.068) 12.476 0.597 ( 0.000 10.615 8.622) 13.675 0.837 ( 0.000 9.729 4.574) 10.751 0.908 ( -0.000 -2.581 0.017) 2.581 0.979 ( 0.000 0.904 14.085) 14.114 1.149 ( -0.000 -6.727 -0.239) 6.732 1.177 ( -0.000 -0.654 0.585) 0.878 1.268 ( 0.000 1.233 -1.421) 1.882 1.317 ( -0.000 -5.033 8.676) 10.030 1.537 ( 0.000 1.971 3.554) 4.064 1.666 ( -0.000 -1.307 0.649) 1.459 1.855 ( -0.000 -0.364 -3.544) 3.562 1.876 ( 0.000 2.828 -3.320) 4.361 2.192 ( -0.000 -1.343 3.662) 3.901 2.252 ( 0.000 3.983 3.063) 5.025 2.253 ( 0.000 1.010 2.093) 2.324 2.424 ( -0.000 -8.529 16.388) 18.474 2.595 ( -0.000 -1.657 -1.233) 2.066 2.631 ( 0.000 3.882 -4.804) 6.176 3.589 ( 0.000 0.387 -14.506) 14.511 4.135 ( -0.000 -0.765 -0.456) 0.891 4.143 ( 0.000 0.061 -0.659) 0.662 4.696 ( -0.000 -1.645 3.872) 4.207 4.821 ( -0.000 -8.716 13.530) 16.094 4.987 ( -0.000 -0.919 0.371) 0.991 5.152 ( -0.000 -1.767 2.582) 3.129 5.372 ( -0.000 -3.516 10.444) 11.020 5.432 ( -0.000 -0.442 0.427) 0.615 5.447 ( -0.000 -0.211 0.092) 0.231 5.601 ( -0.000 -2.901 -1.709) 3.366 5.626 ( -0.000 -3.747 4.092) 5.548 5.960 ( 0.000 0.037 -0.314) 0.316 6.035 ( 0.000 0.564 4.410) 4.446 6.385 ( 0.000 0.498 -1.655) 1.729 6.432 ( 0.000 0.146 1.849) 1.855 6.590 ( 0.000 2.298 -6.077) 6.497 ======================= Grid point 266 (99/171) ======================= q-point: (-0.71 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.554 0.000 1.277) 1.392 1.000 ( 4.514 0.000 -0.691) 4.567 1.080 ( 0.048 0.000 4.125) 4.125 1.227 ( -2.027 -0.000 -0.670) 2.135 1.365 ( -6.396 -0.000 1.239) 6.515 1.454 ( 1.067 0.000 1.271) 1.660 1.577 ( 5.409 0.000 2.954) 6.163 1.628 ( 10.899 0.000 -1.937) 11.070 1.857 ( -3.235 -0.000 20.313) 20.569 2.077 ( 1.272 0.000 3.833) 4.039 2.100 ( -1.514 -0.000 -0.406) 1.567 2.204 ( -3.083 -0.000 0.367) 3.105 2.312 ( -3.409 -0.000 -2.289) 4.107 2.426 ( 2.189 0.000 1.183) 2.488 2.720 ( -1.328 -0.000 -0.758) 1.529 2.943 ( -2.730 -0.000 0.913) 2.879 3.054 ( -2.687 -0.000 -1.380) 3.021 3.616 ( -4.177 -0.000 -14.934) 15.507 4.193 ( 0.748 0.000 6.794) 6.835 4.295 ( 2.116 0.000 -0.222) 2.128 4.445 ( 2.620 0.000 -0.195) 2.627 4.462 ( 0.591 0.000 -0.679) 0.900 4.758 ( -4.416 -0.000 0.381) 4.433 4.774 ( -3.747 -0.000 -0.499) 3.780 4.923 ( 1.352 0.000 4.969) 5.150 5.014 ( -2.010 -0.000 0.206) 2.021 5.196 ( 2.064 0.000 9.123) 9.354 5.501 ( -3.695 -0.000 0.247) 3.703 5.610 ( 4.530 0.000 -1.638) 4.817 5.615 ( -2.819 -0.000 -1.768) 3.328 5.686 ( 1.084 0.000 1.814) 2.113 6.029 ( -1.034 -0.000 0.376) 1.100 6.138 ( -1.049 -0.000 -2.810) 2.999 6.156 ( -1.610 -0.000 -0.950) 1.869 6.244 ( -0.744 -0.000 2.117) 2.244 6.303 ( 0.020 0.000 -0.028) 0.034 ======================= Grid point 268 (100/171) ======================= q-point: (-0.64 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -0.084 0.077 1.910) 1.913 1.039 ( -0.459 0.464 -0.395) 0.762 1.065 ( -1.991 -1.189 3.543) 4.234 1.175 ( -3.364 -0.328 -1.140) 3.567 1.235 ( -7.437 -0.337 1.306) 7.559 1.438 ( -2.434 0.324 -0.404) 2.489 1.670 ( -1.458 0.984 19.617) 19.695 1.794 ( 3.443 0.178 -0.503) 3.484 1.840 ( 4.546 -0.389 0.282) 4.572 2.086 ( 3.291 -0.265 -1.040) 3.461 2.134 ( -3.271 0.199 4.649) 5.688 2.184 ( 7.668 -0.942 0.111) 7.727 2.234 ( -4.264 -0.087 -0.930) 4.365 2.460 ( 1.295 0.122 2.308) 2.650 2.678 ( -3.436 -0.038 0.580) 3.485 2.866 ( -5.743 -0.200 0.433) 5.763 2.969 ( -6.683 -0.102 -1.146) 6.782 3.513 ( -6.336 -0.118 -14.633) 15.947 4.193 ( -0.967 0.093 7.394) 7.457 4.361 ( 3.887 -0.410 -0.586) 3.952 4.490 ( 2.613 0.208 -0.197) 2.628 4.516 ( 5.459 0.399 -0.717) 5.520 4.666 ( -4.856 -0.033 0.985) 4.955 4.715 ( -2.309 -0.365 -0.954) 2.524 4.922 ( -7.935 0.107 1.440) 8.065 4.947 ( 1.102 -0.026 2.819) 3.027 5.250 ( 3.442 -0.210 9.077) 9.710 5.430 ( -3.416 0.675 0.409) 3.506 5.542 ( -4.226 0.320 -1.548) 4.512 5.685 ( 2.306 0.502 -1.275) 2.683 5.696 ( 0.067 -0.856 1.208) 1.482 6.013 ( -0.251 -0.120 0.188) 0.336 6.101 ( -2.893 -0.221 -1.864) 3.449 6.118 ( -2.235 -0.004 -0.983) 2.442 6.242 ( 0.616 -0.037 1.518) 1.639 6.300 ( -0.209 0.064 -0.188) 0.288 ======================= Grid point 269 (101/171) ======================= q-point: (-0.57 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -1.495 -0.361 0.954) 1.809 0.983 ( -5.033 -0.045 2.144) 5.471 1.024 ( -3.151 -1.451 3.901) 5.221 1.096 ( -6.391 0.244 0.494) 6.414 1.117 ( -3.156 -1.334 -1.716) 3.832 1.364 ( -5.115 -0.103 0.182) 5.120 1.559 ( -7.306 0.727 17.538) 19.013 1.762 ( -4.265 0.795 0.385) 4.356 1.907 ( -0.420 0.171 -0.685) 0.821 2.076 ( -3.950 -0.322 4.188) 5.766 2.163 ( 3.442 -0.269 -2.010) 3.996 2.198 ( 1.140 -0.246 3.056) 3.271 2.330 ( 3.072 0.026 -2.653) 4.059 2.496 ( 4.198 -0.155 2.436) 4.856 2.582 ( -6.661 0.078 3.097) 7.347 2.719 ( -9.958 -0.320 -0.279) 9.967 2.788 ( -12.901 -0.377 -0.428) 12.913 3.398 ( -5.303 -0.110 -14.060) 15.027 4.157 ( -2.591 -0.022 5.754) 6.310 4.384 ( -4.650 -0.518 -3.539) 5.866 4.551 ( 3.511 0.722 0.586) 3.633 4.573 ( -4.934 0.204 3.627) 6.128 4.651 ( 5.531 0.865 -1.428) 5.777 4.699 ( 0.244 -0.714 -1.091) 1.326 4.757 ( -3.664 -0.204 3.021) 4.753 4.959 ( -0.110 -0.298 -1.338) 1.376 5.313 ( 1.855 -0.931 10.567) 10.769 5.373 ( -1.896 0.929 0.554) 2.183 5.471 ( -2.188 0.444 -0.539) 2.296 5.659 ( -2.655 0.080 1.598) 3.099 5.708 ( -1.401 -0.298 -1.250) 1.901 6.036 ( -2.234 -0.210 -0.477) 2.294 6.047 ( 2.246 -0.684 -0.941) 2.529 6.076 ( -2.012 0.006 -0.748) 2.147 6.266 ( 1.923 -0.023 0.808) 2.086 6.301 ( 0.543 0.113 -0.027) 0.555 ======================= Grid point 270 (102/171) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -6.532 -0.028 1.423) 6.685 0.873 ( -6.581 -2.114 6.069) 9.199 0.958 ( -1.854 3.294 3.537) 5.176 1.026 ( -1.387 -0.877 -0.439) 1.699 1.076 ( -2.406 -2.517 -2.018) 4.025 1.259 ( -6.135 -1.589 0.704) 6.376 1.419 ( -7.066 0.049 13.096) 14.881 1.657 ( -6.257 0.861 0.428) 6.330 1.862 ( -3.226 0.251 3.963) 5.116 1.992 ( -4.528 -0.278 5.690) 7.277 2.169 ( -4.569 0.140 -0.548) 4.604 2.193 ( -4.170 0.426 -1.070) 4.326 2.274 ( -7.999 -0.523 -0.413) 8.027 2.444 ( -6.466 0.571 7.306) 9.773 2.473 ( -19.322 -0.061 0.384) 19.326 2.536 ( -7.729 -0.466 -1.490) 7.885 2.603 ( 4.785 0.748 -1.122) 4.972 3.337 ( -0.934 0.027 -14.222) 14.252 4.059 ( -28.385 -0.384 0.911) 28.402 4.098 ( -4.082 -0.428 0.707) 4.165 4.493 ( -3.352 0.030 0.062) 3.353 4.566 ( -3.433 1.348 -1.589) 4.016 4.667 ( 1.322 -0.410 2.057) 2.480 4.741 ( 3.260 -1.016 -1.443) 3.707 4.863 ( 4.649 2.702 -0.007) 5.377 4.960 ( 2.273 -2.955 -3.080) 4.836 5.304 ( -1.977 -2.186 11.851) 12.212 5.353 ( -0.072 0.137 1.112) 1.123 5.491 ( 3.639 0.653 3.091) 4.819 5.605 ( -2.730 0.001 0.339) 2.751 5.649 ( -4.551 -0.221 -0.411) 4.575 5.977 ( -2.673 -0.830 1.091) 3.004 6.038 ( -1.694 -0.057 -0.072) 1.696 6.157 ( 7.283 0.217 -3.223) 7.967 6.312 ( 2.785 0.001 0.866) 2.916 6.327 ( 2.455 0.185 0.765) 2.578 ======================= Grid point 271 (103/171) ======================= q-point: (-0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -4.180 3.074 3.670) 6.355 0.772 ( -3.731 0.029 10.645) 11.280 0.933 ( 0.024 1.900 0.634) 2.003 1.027 ( 0.324 -0.312 -0.570) 0.726 1.044 ( -2.131 -2.199 -1.780) 3.542 1.150 ( -6.399 -1.967 -0.454) 6.710 1.307 ( -5.133 -2.367 11.027) 12.392 1.523 ( -7.446 0.136 1.107) 7.529 1.788 ( -4.986 0.840 7.745) 9.249 1.879 ( -12.490 0.573 7.785) 14.729 1.942 ( -17.274 -0.940 0.945) 17.326 2.016 ( -11.614 1.904 -2.253) 11.983 2.087 ( -10.769 -0.041 0.517) 10.782 2.102 ( -13.243 -1.074 0.807) 13.311 2.365 ( -2.495 0.929 9.793) 10.148 2.497 ( 1.462 0.125 -3.298) 3.610 2.660 ( 2.177 2.203 -3.177) 4.436 3.279 ( -21.044 0.256 -9.159) 22.952 3.491 ( -15.158 -1.060 -1.278) 15.249 3.962 ( -14.770 -2.512 -11.728) 19.026 4.341 ( -14.734 0.298 -1.783) 14.844 4.430 ( -6.585 -0.347 -4.319) 7.882 4.697 ( 1.040 -0.043 3.215) 3.379 4.793 ( -0.839 -2.750 3.120) 4.243 4.874 ( 2.069 -0.621 3.697) 4.281 5.067 ( 4.471 -1.136 -1.496) 4.849 5.303 ( 0.655 -1.738 10.814) 10.972 5.381 ( 2.868 -1.239 1.076) 3.304 5.548 ( 0.464 0.127 4.007) 4.036 5.554 ( -5.240 -0.317 0.011) 5.250 5.566 ( -0.065 -0.422 -1.024) 1.110 5.957 ( 0.254 -0.255 2.375) 2.403 6.013 ( -0.872 -0.174 0.386) 0.970 6.289 ( 5.946 0.636 -4.246) 7.333 6.367 ( 2.902 -0.005 1.454) 3.246 6.402 ( 6.198 1.021 1.084) 6.374 ======================= Grid point 272 (104/171) ======================= q-point: (-0.36 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 1.762 5.677 6.184) 8.577 0.743 ( 1.399 6.151 10.182) 11.978 0.934 ( 0.789 1.396 -0.429) 1.660 0.954 ( -8.701 -1.047 1.803) 8.947 1.018 ( -1.199 -2.364 -1.720) 3.160 1.108 ( 0.593 -0.898 -0.524) 1.196 1.234 ( -4.065 -3.362 6.975) 8.745 1.346 ( -13.289 1.411 5.322) 14.384 1.521 ( -18.180 1.162 1.218) 18.258 1.601 ( -7.597 -0.576 4.352) 8.774 1.693 ( -7.576 -0.281 5.418) 9.318 1.922 ( -4.876 -0.218 -0.071) 4.881 1.942 ( -2.874 2.171 3.322) 4.900 1.958 ( -0.345 -0.047 4.464) 4.477 2.328 ( -0.882 1.318 11.210) 11.322 2.513 ( -7.904 0.443 -2.878) 8.423 2.602 ( -27.004 -2.079 2.180) 27.171 2.676 ( 0.358 3.093 -3.937) 5.020 3.325 ( -45.627 -7.998 -17.375) 49.473 3.559 ( -1.618 -2.563 -14.472) 14.786 4.160 ( -4.362 -0.661 1.443) 4.642 4.269 ( -10.096 0.577 -3.410) 10.672 4.691 ( -1.942 -0.902 5.891) 6.268 4.759 ( -2.800 -4.685 10.996) 12.276 4.944 ( 3.441 -0.316 -0.398) 3.478 5.119 ( 0.880 -1.547 0.661) 1.899 5.334 ( 1.780 -0.196 8.596) 8.781 5.442 ( 1.420 -1.210 0.003) 1.866 5.465 ( -3.857 -0.492 0.490) 3.919 5.527 ( -0.756 -3.012 2.044) 3.718 5.596 ( 1.196 -0.435 0.066) 1.274 5.967 ( 0.272 0.767 0.824) 1.158 6.018 ( 1.347 -0.374 3.202) 3.494 6.365 ( 2.622 0.256 -1.992) 3.302 6.414 ( 1.884 0.006 2.078) 2.805 6.533 ( 7.385 2.046 -2.475) 8.053 ======================= Grid point 273 (105/171) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 0.000 7.172 9.219) 11.680 0.695 ( 0.000 8.697 6.222) 10.694 0.890 ( -0.000 -0.588 1.118) 1.263 0.916 ( 0.000 5.428 -4.673) 7.163 0.988 ( -0.000 -0.272 10.557) 10.561 1.116 ( 0.000 1.575 1.847) 2.427 1.163 ( -0.000 -2.130 0.766) 2.263 1.267 ( -0.000 -4.389 10.960) 11.806 1.281 ( 0.000 1.301 -1.370) 1.889 1.556 ( 0.000 1.916 3.043) 3.596 1.648 ( -0.000 -2.505 2.124) 3.284 1.851 ( -0.000 -0.353 -3.440) 3.458 1.904 ( 0.000 2.607 -3.783) 4.594 2.178 ( -0.000 -1.324 4.023) 4.235 2.263 ( 0.000 1.042 1.941) 2.203 2.285 ( 0.000 2.071 2.890) 3.556 2.344 ( -0.000 -6.776 20.566) 21.654 2.580 ( -0.000 -1.370 -2.778) 3.097 2.668 ( 0.000 3.446 -4.680) 5.812 3.592 ( 0.000 0.173 -14.674) 14.675 4.128 ( -0.000 -0.776 -0.397) 0.872 4.144 ( 0.000 0.067 -0.782) 0.785 4.672 ( -0.000 -3.021 9.254) 9.734 4.755 ( -0.000 -4.428 10.621) 11.507 4.981 ( -0.000 -0.290 -0.836) 0.885 5.134 ( -0.000 -1.771 2.057) 2.714 5.356 ( -0.000 -0.254 8.528) 8.532 5.428 ( -0.000 -0.427 0.419) 0.598 5.445 ( -0.000 -0.233 0.034) 0.235 5.554 ( -0.000 -5.311 1.685) 5.571 5.610 ( -0.000 -0.677 -0.463) 0.820 5.964 ( 0.000 0.669 -0.300) 0.733 6.038 ( 0.000 0.002 4.673) 4.673 6.389 ( 0.000 0.204 -1.158) 1.176 6.432 ( 0.000 0.031 2.241) 2.241 6.609 ( 0.000 1.484 -5.191) 5.399 ======================= Grid point 282 (106/171) ======================= q-point: (-0.64 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -1.863 -0.000 0.897) 2.067 0.983 ( -5.385 -0.000 2.242) 5.833 1.017 ( -1.986 -0.000 4.260) 4.701 1.098 ( -6.464 -0.000 0.874) 6.523 1.109 ( -3.382 -0.000 -2.268) 4.073 1.363 ( -5.409 -0.000 0.298) 5.417 1.563 ( -7.465 -0.000 17.236) 18.783 1.766 ( -4.290 -0.000 0.173) 4.294 1.908 ( -0.431 -0.000 -0.477) 0.643 2.074 ( -3.817 -0.000 4.339) 5.779 2.161 ( 3.433 0.000 -1.903) 3.925 2.196 ( 1.200 0.000 3.088) 3.312 2.330 ( 3.318 0.000 -2.737) 4.301 2.495 ( 4.365 0.000 2.473) 5.017 2.582 ( -6.702 -0.000 3.059) 7.367 2.718 ( -9.892 -0.000 -0.340) 9.898 2.787 ( -12.971 -0.000 -0.478) 12.980 3.398 ( -5.274 -0.000 -14.105) 15.058 4.157 ( -2.660 -0.000 5.704) 6.294 4.382 ( -4.508 -0.000 -3.542) 5.733 4.555 ( 3.636 0.000 0.583) 3.683 4.574 ( -4.944 -0.000 3.708) 6.180 4.655 ( 5.111 0.000 -1.556) 5.343 4.696 ( 0.535 0.000 -0.986) 1.121 4.756 ( -3.519 -0.000 3.069) 4.669 4.958 ( -0.323 -0.000 -1.426) 1.462 5.308 ( 1.653 0.000 10.819) 10.944 5.378 ( -2.111 -0.000 0.488) 2.166 5.473 ( -2.140 -0.000 -0.452) 2.187 5.660 ( -2.701 -0.000 1.714) 3.199 5.707 ( -1.294 -0.000 -1.343) 1.865 6.035 ( -3.793 -0.000 -0.350) 3.809 6.043 ( 3.838 0.000 -1.054) 3.980 6.076 ( -2.020 -0.000 -0.763) 2.160 6.266 ( 1.929 0.000 0.810) 2.092 6.301 ( 0.538 0.000 -0.045) 0.540 ======================= Grid point 284 (107/171) ======================= q-point: (-0.57 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -4.823 0.530 0.281) 4.861 0.856 ( -7.233 -1.244 6.280) 9.659 0.989 ( -1.289 2.245 4.488) 5.181 1.021 ( -1.106 -0.164 -0.327) 1.165 1.052 ( -2.856 -1.979 -2.659) 4.375 1.246 ( -6.780 -0.777 1.484) 6.983 1.420 ( -7.552 0.082 12.183) 14.334 1.663 ( -6.412 0.285 0.406) 6.431 1.863 ( -3.202 0.029 4.614) 5.616 1.991 ( -4.524 -0.057 5.994) 7.510 2.170 ( -4.289 0.079 -1.690) 4.610 2.196 ( -3.670 0.142 0.274) 3.682 2.270 ( -8.534 -0.187 -0.639) 8.560 2.448 ( -6.910 0.189 7.367) 10.103 2.473 ( -19.433 0.045 0.886) 19.453 2.532 ( -7.087 -0.209 -2.069) 7.386 2.608 ( 5.436 0.264 -1.305) 5.597 3.337 ( -0.832 0.006 -14.300) 14.324 4.056 ( -28.574 -0.135 0.775) 28.584 4.095 ( -4.268 -0.159 0.538) 4.305 4.493 ( -3.122 0.029 0.274) 3.134 4.576 ( -3.631 0.539 -1.668) 4.032 4.664 ( 1.336 -0.191 2.225) 2.602 4.734 ( 3.135 -0.365 -1.286) 3.408 4.893 ( 5.378 3.145 -1.000) 6.310 4.928 ( 0.834 -3.288 -2.416) 4.165 5.288 ( -2.207 -0.864 13.508) 13.714 5.355 ( -0.238 0.151 0.650) 0.709 5.495 ( 3.509 0.248 2.790) 4.489 5.605 ( -2.772 0.009 0.323) 2.790 5.647 ( -4.545 -0.083 -0.435) 4.566 5.972 ( -2.558 -0.287 1.196) 2.838 6.038 ( -1.707 -0.021 -0.100) 1.710 6.159 ( 7.527 0.062 -3.284) 8.212 6.312 ( 2.794 -0.000 0.895) 2.934 6.328 ( 2.509 0.064 0.805) 2.635 ======================= Grid point 285 (108/171) ======================= q-point: (-0.50 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -4.774 -0.480 11.019) 12.019 0.785 ( -0.629 2.030 0.469) 2.176 0.960 ( -0.367 3.109 0.168) 3.135 1.015 ( -0.573 -2.197 -1.798) 2.896 1.035 ( 0.244 0.422 0.215) 0.533 1.128 ( -6.597 -2.287 0.851) 7.034 1.285 ( -6.664 -1.709 10.824) 12.826 1.525 ( -7.856 0.200 1.088) 7.933 1.793 ( -4.775 0.215 8.829) 10.040 1.885 ( -10.516 0.491 7.646) 13.012 1.934 ( -18.806 -0.607 0.886) 18.837 2.035 ( -12.389 1.765 -1.880) 12.655 2.085 ( -9.522 -0.267 -1.168) 9.597 2.092 ( -13.274 -0.862 2.791) 13.592 2.372 ( -2.368 0.498 9.775) 10.070 2.498 ( 1.493 0.075 -3.468) 3.777 2.677 ( 2.388 1.171 -3.233) 4.187 3.281 ( -22.478 0.127 -8.407) 23.999 3.483 ( -13.716 -0.540 -2.198) 13.901 3.942 ( -17.031 -1.477 -12.381) 21.108 4.345 ( -16.425 0.448 -1.607) 16.509 4.426 ( -5.783 -0.480 -3.634) 6.846 4.697 ( 1.383 -0.044 3.412) 3.682 4.771 ( -2.144 -1.544 4.796) 5.475 4.871 ( 2.110 -0.198 3.326) 3.944 5.057 ( 4.621 -0.833 -1.384) 4.895 5.289 ( 1.710 -0.932 11.847) 12.005 5.373 ( 2.191 -0.474 0.575) 2.315 5.550 ( -1.562 0.105 2.688) 3.111 5.552 ( -4.418 -0.157 0.419) 4.440 5.563 ( 0.489 -0.202 -0.801) 0.960 5.955 ( 0.824 -0.065 2.858) 2.976 6.011 ( -1.047 -0.145 0.146) 1.067 6.293 ( 5.733 0.265 -4.155) 7.086 6.367 ( 2.898 -0.006 1.581) 3.301 6.410 ( 6.734 0.543 1.019) 6.832 ======================= Grid point 286 (109/171) ======================= q-point: (-0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 1.082 -0.213 14.232) 14.275 0.814 ( 4.953 6.729 -0.123) 8.356 0.936 ( -5.635 -0.696 -0.068) 5.678 0.960 ( -2.736 2.145 0.692) 3.545 1.015 ( -1.975 1.821 0.018) 2.686 1.083 ( 1.904 -3.515 -0.753) 4.068 1.194 ( -5.321 -4.702 5.866) 9.210 1.368 ( -8.849 2.550 3.656) 9.908 1.534 ( -18.493 1.436 1.902) 18.646 1.594 ( -9.513 -0.835 6.634) 11.628 1.691 ( -7.318 -0.224 5.649) 9.248 1.921 ( -6.094 0.071 -1.862) 6.373 1.956 ( 1.597 -0.025 13.341) 13.437 1.960 ( -3.190 1.184 -3.034) 4.559 2.339 ( -0.870 0.878 10.973) 11.042 2.517 ( -8.963 0.347 -2.432) 9.293 2.584 ( -25.858 -1.446 1.948) 25.971 2.702 ( 0.227 1.978 -3.802) 4.292 3.255 ( -52.173 -5.702 -14.609) 54.478 3.540 ( 3.532 -1.302 -14.189) 14.680 4.155 ( -4.410 -0.411 1.750) 4.763 4.273 ( -10.081 0.305 -3.175) 10.573 4.680 ( -4.066 -1.174 10.721) 11.526 4.726 ( -0.931 -2.002 6.844) 7.192 4.943 ( 3.748 0.096 -0.968) 3.872 5.105 ( 0.702 -1.288 0.308) 1.499 5.336 ( 2.575 0.551 8.725) 9.114 5.428 ( 2.219 -1.489 0.010) 2.672 5.461 ( -3.836 -0.293 0.348) 3.863 5.503 ( -2.654 -1.735 1.677) 3.587 5.593 ( 1.115 -0.206 -0.261) 1.164 5.977 ( 0.523 1.146 1.256) 1.779 6.012 ( 1.349 -0.854 3.099) 3.486 6.366 ( 2.505 0.103 -1.756) 3.061 6.414 ( 1.882 -0.011 2.313) 2.982 6.549 ( 7.120 1.167 -2.335) 7.584 ======================= Grid point 287 (110/171) ======================= q-point: (-0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 2.525 14.456) 14.675 0.758 ( 0.000 3.615 4.646) 5.887 0.906 ( 0.000 4.141 1.795) 4.514 0.950 ( 0.000 1.653 -6.138) 6.357 0.976 ( -0.000 -0.337 3.007) 3.026 1.135 ( -0.000 -3.610 1.131) 3.783 1.142 ( -0.000 -0.505 -0.533) 0.734 1.261 ( 0.000 5.288 13.448) 14.450 1.292 ( 0.000 1.036 -1.269) 1.638 1.574 ( 0.000 1.488 2.632) 3.023 1.617 ( -0.000 -3.605 4.045) 5.418 1.848 ( -0.000 -0.276 -3.347) 3.358 1.926 ( 0.000 1.834 -4.110) 4.500 2.166 ( -0.000 -1.046 4.342) 4.467 2.256 ( -0.000 -5.898 16.791) 17.797 2.273 ( 0.000 0.859 1.797) 1.992 2.328 ( 0.000 1.839 9.543) 9.719 2.568 ( -0.000 -1.030 -3.538) 3.685 2.698 ( 0.000 2.457 -4.612) 5.225 3.593 ( 0.000 0.077 -14.836) 14.837 4.120 ( -0.000 -0.629 -0.343) 0.717 4.144 ( 0.000 0.057 -0.893) 0.894 4.641 ( -0.000 -2.874 14.162) 14.450 4.727 ( -0.000 -1.514 5.370) 5.579 4.981 ( 0.000 0.279 -1.616) 1.640 5.117 ( -0.000 -1.602 1.378) 2.113 5.361 ( 0.000 1.178 7.993) 8.079 5.424 ( -0.000 -0.335 0.410) 0.529 5.443 ( -0.000 -0.199 -0.014) 0.199 5.502 ( -0.000 -4.946 1.830) 5.274 5.605 ( -0.000 -0.387 -0.989) 1.062 5.973 ( 0.000 1.052 -0.172) 1.066 6.036 ( -0.000 -0.488 4.873) 4.897 6.390 ( 0.000 0.077 -0.920) 0.924 6.432 ( -0.000 -0.012 2.547) 2.547 6.621 ( 0.000 0.949 -4.322) 4.424 ======================= Grid point 298 (111/171) ======================= q-point: (-0.57 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -5.068 -0.000 12.785) 13.753 0.797 ( 0.459 0.000 -2.610) 2.650 0.988 ( 0.884 0.000 1.784) 1.991 0.992 ( -2.451 -0.000 -4.207) 4.869 1.040 ( 1.861 0.000 1.219) 2.225 1.114 ( -6.921 -0.000 1.576) 7.098 1.276 ( -7.583 -0.000 10.718) 13.130 1.526 ( -7.930 -0.000 1.057) 8.000 1.794 ( -4.720 -0.000 9.266) 10.399 1.887 ( -9.508 -0.000 7.578) 12.159 1.931 ( -19.660 -0.000 0.829) 19.678 2.046 ( -12.984 -0.000 -1.843) 13.114 2.082 ( -9.276 -0.000 -3.023) 9.756 2.088 ( -12.750 -0.000 4.855) 13.643 2.375 ( -2.324 -0.000 9.774) 10.047 2.499 ( 1.508 0.000 -3.529) 3.838 2.683 ( 2.452 0.000 -3.253) 4.073 3.282 ( -23.028 -0.000 -8.114) 24.416 3.481 ( -13.127 -0.000 -2.546) 13.372 3.934 ( -17.887 -0.000 -12.603) 21.881 4.348 ( -17.321 -0.000 -1.637) 17.398 4.423 ( -5.233 -0.000 -3.267) 6.169 4.697 ( 1.563 0.000 3.501) 3.834 4.763 ( -2.585 -0.000 5.308) 5.904 4.870 ( 2.120 0.000 3.219) 3.854 5.052 ( 4.701 0.000 -1.339) 4.888 5.285 ( 2.130 0.000 12.069) 12.256 5.371 ( 1.905 0.000 0.457) 1.959 5.550 ( -5.373 -0.000 0.008) 5.373 5.551 ( -1.259 -0.000 2.633) 2.919 5.562 ( 0.913 0.000 -0.529) 1.055 5.955 ( 1.054 0.000 3.064) 3.240 6.011 ( -1.137 -0.000 0.029) 1.137 6.295 ( 5.662 0.000 -4.122) 7.003 6.367 ( 2.897 0.000 1.625) 3.321 6.413 ( 6.908 0.000 1.003) 6.980 ======================= Grid point 300 (112/171) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 1.254 -0.599 15.885) 15.945 0.861 ( 6.025 2.434 -4.198) 7.736 0.930 ( -7.838 -0.406 0.131) 7.850 0.987 ( -1.275 2.981 -0.110) 3.244 1.030 ( 0.240 -1.705 1.156) 2.074 1.063 ( 0.791 1.726 -0.571) 1.983 1.146 ( -6.565 -4.218 7.063) 10.525 1.388 ( -5.713 1.126 1.607) 6.041 1.547 ( -18.374 0.870 1.650) 18.468 1.586 ( -11.023 -0.636 9.048) 14.276 1.689 ( -7.125 -0.077 5.612) 9.070 1.922 ( -6.984 0.102 -2.913) 7.568 1.955 ( 1.922 -0.095 10.290) 10.469 1.968 ( -2.600 0.419 1.520) 3.041 2.345 ( -0.878 0.305 10.786) 10.826 2.519 ( -10.077 0.128 -2.051) 10.284 2.574 ( -24.646 -0.512 1.695) 24.710 2.715 ( 0.154 0.677 -3.733) 3.797 3.216 ( -54.599 -2.038 -12.918) 56.143 3.532 ( 5.397 -0.402 -14.355) 15.342 4.152 ( -4.472 -0.140 1.905) 4.863 4.275 ( -10.030 0.092 -3.010) 10.473 4.671 ( -5.228 -0.548 13.790) 14.758 4.715 ( 0.213 -0.465 3.795) 3.829 4.945 ( 3.983 0.118 -1.257) 4.178 5.095 ( 0.600 -0.527 0.077) 0.802 5.342 ( 3.257 0.381 9.251) 9.815 5.416 ( 2.163 -0.764 -0.233) 2.306 5.459 ( -3.836 -0.098 0.286) 3.848 5.492 ( -3.507 -0.525 1.348) 3.793 5.591 ( 1.051 -0.063 -0.323) 1.101 5.989 ( 0.576 1.264 1.501) 2.045 6.002 ( 1.429 -1.156 3.045) 3.557 6.367 ( 2.456 0.027 -1.663) 2.966 6.414 ( 1.879 -0.006 2.440) 3.080 6.557 ( 6.978 0.380 -2.188) 7.323 ======================= Grid point 301 (113/171) ======================= q-point: (-0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -0.000 -0.236 17.484) 17.486 0.775 ( 0.000 0.429 4.189) 4.211 0.957 ( 0.000 0.608 -4.462) 4.503 0.964 ( 0.000 6.632 1.295) 6.757 0.990 ( 0.000 2.088 0.029) 2.088 1.092 ( -0.000 -4.945 1.881) 5.291 1.111 ( -0.000 -3.893 0.413) 3.915 1.301 ( 0.000 0.564 -1.185) 1.312 1.341 ( 0.000 8.225 7.265) 10.974 1.578 ( -0.000 -4.039 6.559) 7.703 1.585 ( 0.000 0.806 2.375) 2.508 1.846 ( -0.000 -0.151 -3.282) 3.286 1.940 ( 0.000 0.873 -4.524) 4.608 2.158 ( -0.000 -0.573 4.560) 4.596 2.206 ( -0.000 -3.723 20.839) 21.169 2.279 ( 0.000 0.486 1.694) 1.763 2.345 ( 0.000 1.264 7.761) 7.863 2.560 ( -0.000 -0.556 -3.958) 3.997 2.716 ( 0.000 1.247 -4.581) 4.748 3.594 ( 0.000 0.037 -14.971) 14.971 4.115 ( -0.000 -0.352 -0.305) 0.465 4.145 ( 0.000 0.033 -0.969) 0.970 4.619 ( -0.000 -1.469 15.391) 15.461 4.718 ( -0.000 -0.516 3.460) 3.498 4.985 ( 0.000 0.458 -2.140) 2.188 5.103 ( -0.000 -1.080 0.890) 1.400 5.377 ( 0.000 1.787 8.642) 8.825 5.422 ( -0.000 -0.184 0.402) 0.442 5.441 ( -0.000 -0.114 -0.046) 0.123 5.458 ( -0.000 -3.775 1.203) 3.963 5.602 ( -0.000 -0.196 -1.074) 1.091 5.983 ( 0.000 0.958 -0.207) 0.980 6.030 ( -0.000 -0.639 5.164) 5.203 6.390 ( 0.000 0.021 -0.815) 0.815 6.432 ( -0.000 -0.015 2.746) 2.746 6.628 ( 0.000 0.477 -3.723) 3.754 ======================= Grid point 315 (114/171) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.000 0.000 18.105) 18.105 0.776 ( 0.000 0.000 4.187) 4.187 0.961 ( 0.000 0.000 -4.101) 4.101 1.004 ( 0.000 0.000 0.394) 0.394 1.018 ( 0.000 0.000 -1.890) 1.890 1.047 ( 0.000 0.000 5.019) 5.019 1.087 ( 0.000 0.000 0.078) 0.078 1.303 ( 0.000 0.000 -1.153) 1.153 1.390 ( 0.000 0.000 3.610) 3.610 1.552 ( 0.000 0.000 8.861) 8.861 1.589 ( 0.000 0.000 2.289) 2.289 1.845 ( 0.000 0.000 -3.260) 3.260 1.944 ( 0.000 0.000 -4.776) 4.776 2.155 ( 0.000 0.000 4.637) 4.637 2.187 ( 0.000 0.000 21.952) 21.952 2.282 ( 0.000 0.000 1.657) 1.657 2.352 ( 0.000 0.000 7.624) 7.624 2.557 ( 0.000 0.000 -4.101) 4.101 2.723 ( 0.000 0.000 -4.574) 4.574 3.594 ( 0.000 0.000 -15.024) 15.024 4.114 ( 0.000 0.000 -0.291) 0.291 4.145 ( 0.000 0.000 -0.997) 0.997 4.612 ( 0.000 0.000 15.548) 15.548 4.716 ( 0.000 0.000 3.029) 3.029 4.987 ( 0.000 0.000 -2.340) 2.340 5.097 ( 0.000 0.000 0.723) 0.723 5.389 ( 0.000 0.000 10.545) 10.545 5.421 ( 0.000 0.000 0.399) 0.399 5.435 ( 0.000 0.000 -0.633) 0.633 5.441 ( 0.000 0.000 -0.057) 0.057 5.601 ( 0.000 0.000 -1.083) 1.083 5.989 ( 0.000 0.000 -0.430) 0.430 6.026 ( 0.000 0.000 5.483) 5.483 6.391 ( 0.000 0.000 -0.786) 0.786 6.432 ( 0.000 0.000 2.816) 2.816 6.630 ( 0.000 0.000 -3.512) 3.512 ======================= Grid point 410 (115/171) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 0.000 0.000 12.490) 12.490 0.676 ( 0.000 0.000 12.670) 12.670 0.708 ( 0.000 0.000 -6.433) 6.433 0.875 ( 0.000 0.000 -7.177) 7.177 1.158 ( 0.000 0.000 4.985) 4.985 1.188 ( 0.000 0.000 1.406) 1.406 1.219 ( 0.000 0.000 -1.630) 1.630 1.260 ( 0.000 0.000 -4.884) 4.884 1.621 ( 0.000 0.000 6.868) 6.868 1.637 ( 0.000 0.000 6.216) 6.216 1.673 ( 0.000 0.000 -0.644) 0.644 1.758 ( 0.000 0.000 -6.345) 6.345 1.958 ( 0.000 0.000 20.925) 20.925 2.273 ( 0.000 0.000 1.957) 1.957 2.278 ( 0.000 0.000 1.354) 1.354 2.291 ( 0.000 0.000 7.791) 7.791 2.369 ( 0.000 0.000 -14.975) 14.975 2.449 ( 0.000 0.000 -7.493) 7.493 2.893 ( 0.000 0.000 13.855) 13.855 3.226 ( 0.000 0.000 -18.822) 18.822 4.134 ( 0.000 0.000 -0.181) 0.181 4.137 ( 0.000 0.000 -0.470) 0.470 4.782 ( 0.000 0.000 4.400) 4.400 4.881 ( 0.000 0.000 -5.177) 5.177 5.113 ( 0.000 0.000 3.761) 3.761 5.173 ( 0.000 0.000 -1.777) 1.777 5.450 ( 0.000 0.000 0.373) 0.373 5.453 ( 0.000 0.000 0.019) 0.019 5.557 ( 0.000 0.000 0.120) 0.120 5.572 ( 0.000 0.000 -1.613) 1.613 5.965 ( 0.000 0.000 0.388) 0.388 5.972 ( 0.000 0.000 -0.393) 0.393 6.125 ( 0.000 0.000 5.190) 5.190 6.224 ( 0.000 0.000 -4.413) 4.413 6.454 ( 0.000 0.000 1.690) 1.690 6.483 ( 0.000 0.000 -1.164) 1.164 ======================= Grid point 411 (116/171) ======================= q-point: ( 0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 8.406 -0.531 9.981) 13.059 0.717 ( 3.789 -0.773 1.761) 4.249 0.842 ( 9.869 -0.787 1.654) 10.037 0.938 ( 5.087 -0.312 -5.129) 7.230 1.124 ( -0.671 0.034 2.123) 2.227 1.169 ( -2.045 0.689 -2.012) 2.951 1.427 ( 18.106 0.345 2.869) 18.335 1.492 ( 19.126 0.512 -3.298) 19.415 1.557 ( 1.170 0.306 4.241) 4.410 1.599 ( -2.493 0.232 -1.391) 2.865 1.819 ( 11.031 0.240 4.928) 12.084 1.891 ( 9.041 0.820 -3.604) 9.767 1.982 ( 2.379 -1.525 20.663) 20.856 2.172 ( 0.053 -0.614 12.459) 12.474 2.367 ( 2.542 -0.348 -11.666) 11.944 2.391 ( 0.530 -1.101 -10.399) 10.471 2.517 ( 5.136 -0.376 11.687) 12.772 2.683 ( 23.834 0.076 -2.884) 24.008 3.257 ( 13.011 2.472 -9.601) 16.357 3.285 ( 28.466 -0.751 -12.321) 31.028 4.187 ( 5.155 0.093 -0.025) 5.156 4.197 ( 6.113 -0.145 -1.082) 6.209 4.778 ( -0.457 0.227 4.133) 4.164 4.867 ( -1.460 0.494 -4.524) 4.780 5.082 ( -3.269 0.208 3.503) 4.796 5.139 ( -3.577 -0.076 -1.830) 4.018 5.457 ( -0.304 0.235 0.515) 0.642 5.463 ( 0.511 0.101 -0.043) 0.522 5.529 ( -1.444 0.459 0.348) 1.554 5.549 ( -1.789 0.180 -1.827) 2.564 5.936 ( -1.948 2.821 3.211) 4.697 5.973 ( 0.459 0.831 -1.049) 1.415 6.080 ( -3.585 -0.968 6.095) 7.137 6.195 ( -3.314 -1.625 -5.010) 6.223 6.430 ( -2.377 -0.195 1.228) 2.683 6.444 ( -3.329 -0.304 -0.066) 3.344 ======================= Grid point 412 (117/171) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 10.355 0.576 5.247) 11.623 0.807 ( 4.777 -1.158 2.737) 5.626 1.007 ( 6.051 0.239 -1.010) 6.139 1.018 ( 2.501 -0.463 -1.945) 3.202 1.119 ( 0.702 0.510 1.462) 1.700 1.155 ( 2.237 1.881 -1.533) 3.300 1.532 ( 3.662 0.243 1.941) 4.152 1.542 ( 0.325 0.175 -0.403) 0.546 1.891 ( 17.937 0.081 1.811) 18.028 1.933 ( 20.612 0.087 -1.359) 20.657 1.977 ( 6.453 -0.529 3.581) 7.398 2.031 ( 6.609 1.248 0.262) 6.731 2.077 ( 7.347 -2.387 16.879) 18.563 2.263 ( 9.761 0.406 7.823) 12.516 2.405 ( 2.652 0.025 -5.630) 6.223 2.429 ( 2.905 -1.720 -10.777) 11.294 2.571 ( 2.266 -0.506 14.685) 14.867 2.930 ( 3.417 -0.305 -19.805) 20.100 3.641 ( 28.606 1.110 7.158) 29.508 3.833 ( 22.893 1.256 -11.613) 25.701 4.320 ( 8.533 0.032 -0.445) 8.544 4.338 ( 7.890 -0.660 -1.990) 8.164 4.758 ( -1.624 0.224 3.108) 3.514 4.820 ( -3.229 0.638 -3.020) 4.467 4.989 ( -6.362 0.081 2.999) 7.034 5.046 ( -5.848 -0.097 -2.513) 6.366 5.396 ( -4.421 0.237 1.559) 4.694 5.431 ( -3.413 0.187 -1.695) 3.815 5.553 ( 2.154 -0.059 -0.245) 2.168 5.555 ( 3.201 -0.050 -0.259) 3.212 5.874 ( -3.194 2.312 9.029) 9.852 5.984 ( 1.060 0.990 -2.436) 2.835 6.040 ( -0.727 -0.554 3.116) 3.247 6.128 ( -4.107 -1.374 -4.996) 6.612 6.376 ( -3.183 -0.345 0.597) 3.257 6.380 ( -3.518 -0.332 0.297) 3.546 ======================= Grid point 413 (118/171) ======================= q-point: ( 0.21 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 3.097 -1.180 3.314) 4.687 0.946 ( 5.937 0.079 -1.296) 6.078 1.027 ( 1.964 1.044 1.815) 2.870 1.068 ( 1.741 1.033 -1.603) 2.582 1.184 ( 5.900 2.458 2.147) 6.742 1.227 ( 4.890 0.960 -1.847) 5.315 1.591 ( 3.967 -1.532 1.838) 4.633 1.635 ( 6.570 -0.265 -1.354) 6.713 2.038 ( 2.732 -0.543 2.750) 3.914 2.063 ( 4.375 -0.007 14.996) 15.621 2.102 ( 1.540 -0.359 -4.227) 4.513 2.233 ( 7.121 -0.325 -4.102) 8.224 2.262 ( 7.396 -0.654 10.213) 12.627 2.471 ( 5.123 0.976 -5.502) 7.580 2.534 ( 10.943 -0.154 0.490) 10.955 2.542 ( 13.202 0.298 -0.289) 13.208 2.640 ( 5.707 -0.286 11.875) 13.179 2.976 ( 3.033 -0.032 -20.035) 20.263 4.121 ( 20.466 0.784 1.868) 20.566 4.143 ( 11.497 0.746 0.049) 11.522 4.472 ( 6.569 -0.579 -0.568) 6.619 4.479 ( 5.778 -1.005 -1.134) 5.973 4.711 ( -3.621 0.107 1.548) 3.939 4.745 ( -4.086 0.429 -2.037) 4.586 4.863 ( -5.577 -0.074 3.856) 6.780 4.949 ( -3.245 0.494 -4.363) 5.460 5.332 ( -2.012 -0.679 1.871) 2.830 5.376 ( -1.904 -0.466 -2.263) 2.993 5.589 ( 0.688 -0.337 1.810) 1.965 5.616 ( 2.757 -0.193 -1.029) 2.949 5.806 ( -2.295 1.439 10.993) 11.321 5.991 ( -0.282 0.540 -5.947) 5.978 6.050 ( 1.334 0.592 0.788) 1.658 6.075 ( -1.547 -0.307 -1.995) 2.544 6.321 ( -2.668 -0.157 0.308) 2.690 6.322 ( -2.448 -0.277 0.191) 2.471 ======================= Grid point 414 (119/171) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.718 -0.624 2.259) 2.451 0.971 ( -0.556 -0.568 -1.608) 1.793 1.114 ( 3.697 0.885 0.297) 3.813 1.123 ( 5.731 1.048 -0.542) 5.851 1.279 ( 5.366 3.013 1.725) 6.391 1.309 ( 3.964 0.036 -1.113) 4.117 1.678 ( 3.462 -1.878 3.295) 5.135 1.755 ( 5.173 -0.347 -3.918) 6.498 2.078 ( 0.731 0.609 6.543) 6.612 2.109 ( 0.603 -0.250 -1.131) 1.306 2.128 ( 1.889 -0.336 6.608) 6.881 2.264 ( -2.269 0.138 -4.293) 4.857 2.347 ( 2.436 -0.333 11.701) 11.957 2.515 ( 0.941 0.012 -2.567) 2.734 2.681 ( 4.667 0.434 7.186) 8.579 2.763 ( 10.145 0.947 0.062) 10.190 2.828 ( 10.823 0.905 1.820) 11.012 3.057 ( 5.372 0.426 -19.375) 20.110 4.286 ( 4.423 0.522 5.289) 6.915 4.365 ( 5.886 0.941 -3.006) 6.676 4.515 ( -2.279 -1.219 1.114) 2.814 4.543 ( -1.940 -1.077 -1.671) 2.777 4.641 ( -0.569 -0.397 2.703) 2.790 4.694 ( -0.319 0.272 -2.702) 2.735 4.846 ( 3.985 0.437 4.708) 6.184 4.939 ( 1.892 0.825 -3.971) 4.475 5.330 ( 1.049 -1.451 1.716) 2.480 5.373 ( 1.052 -1.323 -2.449) 2.976 5.568 ( -2.441 -0.071 6.762) 7.190 5.649 ( 0.481 -0.230 -2.430) 2.487 5.789 ( 0.722 0.672 8.839) 8.894 5.982 ( 0.227 0.239 -7.519) 7.526 6.063 ( 0.205 0.496 0.053) 0.539 6.075 ( 1.162 0.840 -1.021) 1.760 6.286 ( -1.039 0.079 0.625) 1.215 6.293 ( -0.752 -0.119 -0.096) 0.768 ======================= Grid point 415 (120/171) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -0.145 -0.565 1.496) 1.606 0.963 ( -0.800 -1.162 -1.039) 1.752 1.177 ( 2.907 0.797 0.646) 3.083 1.195 ( 2.189 1.221 -1.125) 2.748 1.353 ( 3.492 1.366 1.486) 4.033 1.374 ( 2.870 -0.675 -0.626) 3.014 1.703 ( -2.618 -1.258 3.319) 4.411 1.778 ( -4.438 0.118 -4.050) 6.010 2.071 ( 1.522 1.986 5.710) 6.234 2.115 ( 0.553 0.901 0.798) 1.324 2.166 ( 0.559 -0.187 -0.851) 1.036 2.207 ( -0.973 -0.164 -2.993) 3.152 2.386 ( 1.538 -0.387 15.241) 15.323 2.507 ( -1.799 0.046 0.753) 1.951 2.749 ( 3.080 0.592 8.128) 8.712 2.909 ( 5.969 1.056 -0.418) 6.076 2.974 ( 5.306 0.951 -0.063) 5.391 3.157 ( 5.117 0.600 -20.319) 20.962 4.318 ( -0.393 0.180 4.861) 4.880 4.381 ( -2.136 0.679 -1.892) 2.933 4.461 ( -2.861 -0.778 0.107) 2.966 4.466 ( -4.104 -0.821 -0.312) 4.197 4.696 ( 4.648 0.406 1.279) 4.838 4.724 ( 3.305 0.802 -1.547) 3.736 4.941 ( 4.355 -0.327 1.926) 4.773 4.974 ( 1.354 0.175 -0.946) 1.661 5.378 ( 2.842 -1.755 1.506) 3.665 5.409 ( 1.127 -1.654 -0.715) 2.125 5.535 ( -0.205 0.080 8.173) 8.176 5.640 ( -1.293 0.104 -3.142) 3.399 5.804 ( 0.657 0.236 8.470) 8.499 6.003 ( 1.853 0.234 -6.572) 6.832 6.065 ( 0.306 0.366 -1.062) 1.164 6.088 ( 0.605 0.646 -2.078) 2.258 6.279 ( 0.234 0.280 0.994) 1.059 6.291 ( 0.256 -0.029 -0.225) 0.343 ======================= Grid point 416 (121/171) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -1.095 -0.880 1.214) 1.856 0.949 ( -1.355 -1.249 -0.707) 1.973 1.178 ( -2.138 1.395 2.216) 3.380 1.216 ( 0.574 0.301 -1.540) 1.671 1.394 ( 1.230 -0.887 2.215) 2.684 1.429 ( 2.570 -0.880 -1.151) 2.950 1.597 ( -7.122 0.777 1.343) 7.289 1.633 ( -7.261 1.644 -2.165) 7.753 2.121 ( 2.532 0.562 1.943) 3.241 2.146 ( 3.166 1.632 0.187) 3.567 2.166 ( 1.535 0.007 1.919) 2.457 2.241 ( 2.498 -0.558 -3.827) 4.604 2.395 ( -0.974 -0.355 13.231) 13.272 2.452 ( -3.636 0.120 2.602) 4.473 2.795 ( 2.023 0.462 11.743) 11.925 2.984 ( 2.584 0.655 1.070) 2.872 3.032 ( 1.680 0.601 -1.316) 2.217 3.234 ( 3.109 0.370 -22.703) 22.918 4.290 ( -1.787 0.120 3.036) 3.525 4.321 ( -2.958 0.671 -0.572) 3.087 4.420 ( -1.173 -0.706 0.481) 1.451 4.434 ( -0.684 -0.501 -0.834) 1.189 4.782 ( 4.093 0.708 0.532) 4.187 4.791 ( 3.709 0.966 -0.488) 3.863 4.980 ( -0.574 -0.367 1.189) 1.371 4.993 ( 1.045 -0.681 -0.341) 1.293 5.417 ( -0.207 -0.727 5.885) 5.933 5.447 ( 3.016 -1.767 0.420) 3.520 5.556 ( 1.049 0.051 2.517) 2.728 5.610 ( -1.164 0.322 -2.322) 2.617 5.807 ( -0.088 0.180 10.348) 10.350 6.038 ( 1.762 0.224 -4.546) 4.880 6.069 ( 0.159 0.114 -4.020) 4.024 6.093 ( 0.257 0.269 -2.344) 2.373 6.285 ( 0.427 0.237 1.005) 1.117 6.297 ( 0.279 -0.016 -0.209) 0.349 ======================= Grid point 417 (122/171) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.000 -0.000 1.289) 1.289 0.935 ( 0.000 -0.000 -0.708) 0.708 1.141 ( 0.000 -0.000 4.307) 4.307 1.215 ( 0.000 -0.000 -3.000) 3.000 1.412 ( -0.000 0.000 3.508) 3.508 1.473 ( -0.000 -0.000 -2.322) 2.322 1.503 ( 0.000 -0.000 1.686) 1.686 1.554 ( 0.000 -0.000 -3.114) 3.114 2.136 ( 0.000 -0.000 2.549) 2.549 2.184 ( 0.000 -0.000 -2.732) 2.732 2.197 ( -0.000 -0.000 3.419) 3.419 2.279 ( 0.000 -0.000 -3.978) 3.978 2.373 ( 0.000 -0.000 12.371) 12.371 2.404 ( 0.000 -0.000 3.147) 3.147 2.815 ( 0.000 -0.000 14.143) 14.143 3.006 ( 0.000 -0.000 1.958) 1.958 3.044 ( 0.000 -0.000 -2.114) 2.114 3.264 ( 0.000 -0.000 -23.777) 23.777 4.270 ( -0.000 0.000 2.269) 2.269 4.288 ( 0.000 -0.000 -0.094) 0.094 4.413 ( 0.000 -0.000 0.598) 0.598 4.431 ( 0.000 -0.000 -1.098) 1.098 4.823 ( 0.000 -0.000 0.396) 0.396 4.830 ( -0.000 -0.000 -0.351) 0.351 4.970 ( 0.000 -0.000 2.067) 2.067 5.001 ( 0.000 -0.000 -1.159) 1.159 5.416 ( 0.000 -0.000 8.277) 8.277 5.494 ( 0.000 -0.000 -1.952) 1.952 5.547 ( 0.000 -0.000 2.624) 2.624 5.607 ( 0.000 -0.000 -2.936) 2.936 5.805 ( 0.000 -0.000 11.961) 11.961 6.058 ( 0.000 -0.000 1.308) 1.308 6.068 ( -0.000 -0.000 -10.307) 10.307 6.095 ( 0.000 -0.000 -2.381) 2.381 6.289 ( 0.000 -0.000 0.929) 0.929 6.299 ( 0.000 -0.000 -0.165) 0.165 ======================= Grid point 426 (123/171) ======================= q-point: ( 0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 10.452 0.000 4.879) 11.535 0.801 ( 4.825 0.000 3.179) 5.779 1.009 ( 7.131 0.000 -0.974) 7.198 1.015 ( 2.101 0.000 -2.448) 3.226 1.122 ( 1.014 0.000 2.027) 2.267 1.165 ( 1.997 0.000 -1.560) 2.534 1.533 ( 3.400 0.000 1.752) 3.825 1.543 ( -0.272 -0.000 -0.560) 0.623 1.891 ( 18.090 0.000 1.430) 18.146 1.934 ( 21.840 0.000 -2.243) 21.955 1.974 ( 4.887 0.000 5.374) 7.264 2.041 ( 6.006 0.000 -3.771) 7.092 2.061 ( 8.103 0.000 20.706) 22.235 2.266 ( 10.299 0.000 7.921) 12.992 2.404 ( 2.803 0.000 -5.628) 6.288 2.420 ( 3.094 0.000 -11.203) 11.622 2.568 ( 2.309 0.000 14.826) 15.005 2.928 ( 3.477 0.000 -19.817) 20.119 3.647 ( 28.374 0.000 7.185) 29.270 3.840 ( 22.615 0.000 -11.642) 25.436 4.321 ( 8.525 0.000 -0.749) 8.558 4.334 ( 7.796 0.000 -1.791) 7.999 4.759 ( -1.654 -0.000 3.219) 3.619 4.823 ( -3.308 -0.000 -3.088) 4.525 4.990 ( -6.467 -0.000 2.882) 7.080 5.046 ( -5.786 -0.000 -2.525) 6.313 5.397 ( -4.643 -0.000 1.527) 4.887 5.432 ( -3.535 -0.000 -1.688) 3.917 5.553 ( 2.074 0.000 -0.252) 2.089 5.555 ( 3.155 0.000 -0.278) 3.167 5.886 ( -3.832 -0.000 8.620) 9.434 5.990 ( 0.922 0.000 -2.228) 2.411 6.037 ( -0.263 -0.000 2.878) 2.890 6.121 ( -3.771 -0.000 -4.791) 6.097 6.374 ( -3.156 -0.000 0.617) 3.215 6.378 ( -3.442 -0.000 0.266) 3.452 ======================= Grid point 427 (124/171) ======================= q-point: ( 0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 3.324 -0.473 3.535) 4.875 0.946 ( 5.245 -0.039 -2.088) 5.646 1.034 ( 2.422 0.377 1.713) 2.991 1.075 ( 1.753 0.367 -1.773) 2.520 1.202 ( 6.317 0.989 2.170) 6.752 1.234 ( 4.434 0.400 -0.927) 4.548 1.580 ( 3.673 -0.633 1.989) 4.224 1.633 ( 6.550 -0.104 -1.981) 6.844 2.034 ( 2.780 -0.194 2.779) 3.936 2.064 ( 4.477 0.044 15.352) 15.992 2.100 ( 1.290 -0.139 -4.538) 4.720 2.230 ( 7.294 -0.132 -4.059) 8.349 2.257 ( 7.744 -0.259 10.316) 12.902 2.478 ( 3.143 0.412 -6.562) 7.287 2.533 ( 14.170 -0.071 1.126) 14.215 2.544 ( 12.286 0.108 -0.140) 12.287 2.638 ( 6.057 -0.126 12.147) 13.574 2.976 ( 3.188 -0.015 -20.072) 20.323 4.126 ( 20.393 0.285 1.965) 20.490 4.148 ( 11.268 0.260 0.184) 11.272 4.469 ( 6.182 -0.033 -0.918) 6.250 4.472 ( 5.883 -0.524 -1.102) 6.008 4.711 ( -3.831 0.033 1.603) 4.153 4.748 ( -4.286 0.148 -2.197) 4.818 4.863 ( -5.389 -0.023 4.061) 6.748 4.952 ( -2.979 0.171 -4.499) 5.399 5.328 ( -2.299 -0.248 1.939) 3.018 5.373 ( -2.172 -0.179 -2.326) 3.188 5.587 ( 0.696 -0.118 1.790) 1.924 5.615 ( 2.746 -0.062 -1.160) 2.981 5.816 ( -2.691 0.533 10.556) 10.906 5.995 ( -0.595 0.216 -5.903) 5.937 6.054 ( 1.602 0.279 0.514) 1.706 6.072 ( -1.094 -0.208 -1.518) 1.882 6.320 ( -2.568 -0.049 0.246) 2.580 6.320 ( -2.375 -0.109 0.217) 2.387 ======================= Grid point 428 (125/171) ======================= q-point: ( 0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.998 -0.376 2.254) 2.494 0.966 ( -0.713 -0.382 -1.659) 1.845 1.122 ( 3.443 0.539 0.259) 3.495 1.131 ( 5.639 0.571 -0.702) 5.711 1.303 ( 4.837 1.743 0.688) 5.187 1.309 ( 3.522 -0.026 0.071) 3.523 1.663 ( 3.763 -1.087 3.723) 5.404 1.752 ( 5.181 -0.156 -4.589) 6.923 2.083 ( 1.891 0.377 4.824) 5.195 2.107 ( 0.310 -0.071 -1.617) 1.648 2.125 ( 1.920 -0.267 8.850) 9.060 2.265 ( -2.127 0.042 -4.099) 4.618 2.344 ( 2.476 -0.215 11.589) 11.853 2.515 ( 0.917 0.021 -2.707) 2.858 2.685 ( 4.625 0.251 7.536) 8.846 2.771 ( 10.332 0.501 0.074) 10.345 2.835 ( 10.904 0.516 1.693) 11.047 3.060 ( 5.505 0.233 -19.362) 20.130 4.290 ( 4.269 0.295 5.517) 6.982 4.373 ( 5.819 0.528 -3.074) 6.602 4.505 ( -2.090 -0.675 1.115) 2.463 4.535 ( -1.836 -0.585 -1.807) 2.642 4.638 ( -0.413 -0.226 2.864) 2.902 4.696 ( -0.206 0.143 -3.053) 3.063 4.850 ( 3.811 0.251 4.891) 6.206 4.946 ( 1.710 0.495 -4.063) 4.436 5.318 ( 0.930 -0.828 1.748) 2.146 5.362 ( 0.809 -0.775 -2.505) 2.744 5.568 ( -2.264 -0.030 6.428) 6.815 5.648 ( 0.552 -0.105 -2.566) 2.627 5.794 ( 0.359 0.368 8.861) 8.876 5.984 ( 0.195 0.135 -7.371) 7.375 6.067 ( 0.149 0.259 0.198) 0.358 6.082 ( 1.169 0.456 -1.170) 1.716 6.287 ( -0.925 0.064 0.552) 1.079 6.292 ( -0.691 -0.082 -0.012) 0.696 ======================= Grid point 429 (126/171) ======================= q-point: ( 0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -0.218 -0.292 1.274) 1.325 0.954 ( -0.911 -0.745 -0.735) 1.387 1.183 ( 2.876 0.395 0.803) 3.012 1.205 ( 2.142 0.827 -1.423) 2.701 1.361 ( 2.080 0.060 0.771) 2.219 1.371 ( 2.877 0.223 -0.231) 2.895 1.694 ( -1.818 -0.593 3.833) 4.284 1.780 ( -3.608 0.231 -4.547) 5.809 2.089 ( 1.300 1.701 5.470) 5.874 2.120 ( 0.947 -0.007 2.435) 2.613 2.165 ( 1.452 0.168 -2.011) 2.486 2.203 ( -2.041 -0.431 -2.891) 3.565 2.383 ( 1.533 -0.270 15.072) 15.152 2.508 ( -1.729 0.064 0.455) 1.789 2.754 ( 3.083 0.395 8.332) 8.893 2.918 ( 5.835 0.739 -0.498) 5.902 2.982 ( 5.201 0.698 0.082) 5.248 3.162 ( 5.033 0.389 -20.170) 20.792 4.319 ( -0.514 0.130 5.078) 5.106 4.386 ( -2.263 0.361 -2.015) 3.051 4.455 ( -2.541 -0.562 0.110) 2.605 4.460 ( -4.042 -0.433 -0.389) 4.084 4.700 ( 4.978 0.299 1.438) 5.190 4.731 ( 3.514 0.576 -1.718) 3.953 4.938 ( 4.030 -0.215 2.086) 4.543 4.975 ( 1.014 0.178 -1.188) 1.572 5.363 ( 2.948 -1.180 1.388) 3.465 5.395 ( 1.312 -1.226 -1.127) 2.120 5.536 ( -0.297 0.074 8.456) 8.462 5.641 ( -1.113 0.057 -3.145) 3.337 5.805 ( 0.552 0.132 8.493) 8.512 6.005 ( 1.843 0.162 -6.682) 6.934 6.068 ( 0.182 0.238 -0.829) 0.881 6.093 ( 0.398 0.427 -2.176) 2.253 6.281 ( 0.268 0.224 0.872) 0.939 6.290 ( 0.277 -0.032 -0.079) 0.290 ======================= Grid point 430 (127/171) ======================= q-point: ( 0.36 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -1.166 -0.713 0.987) 1.686 0.937 ( -1.239 -1.064 -0.542) 1.720 1.192 ( -2.314 1.301 1.506) 3.052 1.218 ( 0.517 0.172 -1.079) 1.209 1.388 ( 1.114 -0.245 1.685) 2.035 1.418 ( 2.139 -1.154 -1.290) 2.752 1.604 ( -6.224 0.766 2.056) 6.599 1.649 ( -7.249 1.404 -2.154) 7.692 2.124 ( 1.452 0.165 2.865) 3.216 2.161 ( 3.102 1.241 1.443) 3.640 2.166 ( 1.649 0.226 -0.171) 1.673 2.234 ( 2.592 -0.788 -3.660) 4.554 2.392 ( -0.963 -0.341 13.216) 13.255 2.454 ( -3.468 0.322 2.241) 4.141 2.799 ( 1.832 0.340 11.716) 11.863 2.990 ( 2.307 0.558 0.976) 2.566 3.038 ( 1.449 0.558 -1.104) 1.906 3.237 ( 2.885 0.191 -22.564) 22.749 4.291 ( -1.810 0.080 3.254) 3.725 4.326 ( -3.143 0.447 -0.809) 3.276 4.414 ( -0.975 -0.476 0.570) 1.226 4.430 ( -0.473 -0.374 -0.890) 1.075 4.788 ( 3.996 0.617 0.686) 4.101 4.800 ( 3.565 0.843 -0.559) 3.706 4.976 ( -0.691 -0.312 0.972) 1.233 4.987 ( 1.102 -0.586 -0.274) 1.278 5.409 ( 0.167 -0.686 5.018) 5.067 5.432 ( 3.421 -1.212 0.384) 3.649 5.556 ( 1.509 0.112 3.267) 3.600 5.612 ( -1.506 0.103 -2.132) 2.612 5.809 ( -0.133 0.091 10.240) 10.241 6.040 ( 1.737 0.191 -4.667) 4.983 6.070 ( 0.041 0.083 -3.875) 3.876 6.096 ( 0.091 0.206 -2.380) 2.391 6.287 ( 0.329 0.192 0.905) 0.982 6.297 ( 0.287 -0.008 -0.087) 0.300 ======================= Grid point 431 (128/171) ======================= q-point: ( 0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.669 -0.321 1.170) 1.385 0.932 ( 0.661 -0.636 -0.672) 1.137 1.146 ( -0.582 0.933 4.140) 4.283 1.216 ( -0.122 0.217 -2.806) 2.817 1.415 ( 1.482 0.526 3.106) 3.481 1.469 ( 2.334 -0.675 -2.133) 3.233 1.504 ( -2.808 0.270 1.699) 3.293 1.554 ( -1.794 -0.035 -2.858) 3.374 2.134 ( -0.134 -0.383 2.637) 2.668 2.183 ( -0.882 -0.115 -2.713) 2.855 2.196 ( -0.408 -0.021 3.445) 3.469 2.279 ( 0.398 -0.024 -3.945) 3.965 2.371 ( 0.143 -0.367 12.380) 12.386 2.408 ( 0.079 0.632 2.858) 2.928 2.815 ( -0.273 -0.039 14.177) 14.179 3.006 ( -0.347 0.040 1.950) 1.981 3.045 ( -0.306 0.099 -2.078) 2.103 3.263 ( -0.243 -0.167 -23.772) 23.774 4.270 ( -0.093 -0.019 2.258) 2.260 4.288 ( -0.445 -0.054 -0.089) 0.458 4.414 ( 0.453 0.037 0.594) 0.748 4.431 ( 0.302 0.036 -1.099) 1.140 4.823 ( -0.546 -0.011 0.407) 0.681 4.830 ( -0.750 0.023 -0.354) 0.829 4.970 ( 0.428 -0.001 2.072) 2.115 5.001 ( 0.545 0.011 -1.160) 1.281 5.415 ( 0.343 -0.051 8.343) 8.351 5.494 ( 1.961 0.049 -1.832) 2.684 5.550 ( -1.075 0.571 2.245) 2.554 5.605 ( 0.004 -0.494 -2.750) 2.794 5.804 ( -0.161 -0.062 11.972) 11.973 6.058 ( -0.259 -0.023 1.213) 1.240 6.068 ( 0.078 0.044 -10.233) 10.234 6.095 ( -0.119 -0.005 -2.377) 2.380 6.289 ( -0.147 -0.027 0.943) 0.954 6.300 ( 0.019 0.019 -0.172) 0.174 ======================= Grid point 432 (129/171) ======================= q-point: (-0.50 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 1.184 0.744 1.424) 1.996 0.961 ( 1.848 1.144 -0.885) 2.347 1.166 ( 1.544 -0.945 2.887) 3.408 1.213 ( -0.789 -0.283 -1.821) 2.005 1.404 ( -2.153 1.014 2.320) 3.324 1.436 ( -2.678 0.569 -0.682) 2.821 1.590 ( 8.356 -0.561 0.595) 8.396 1.617 ( 7.538 -1.536 -2.133) 7.983 2.114 ( -3.380 -0.833 1.185) 3.677 2.130 ( -3.720 -1.617 0.009) 4.056 2.166 ( -1.156 -0.056 3.039) 3.252 2.245 ( -2.524 0.259 -3.916) 4.666 2.398 ( 1.102 0.230 13.176) 13.224 2.452 ( 3.621 0.220 2.609) 4.468 2.790 ( -2.236 -0.508 11.815) 12.036 2.978 ( -2.892 -0.607 1.158) 3.174 3.027 ( -1.948 -0.507 -1.502) 2.511 3.230 ( -3.315 -0.508 -22.843) 23.088 4.289 ( 1.769 -0.132 2.754) 3.276 4.314 ( 2.710 -0.760 -0.273) 2.828 4.428 ( 1.446 0.790 0.345) 1.683 4.439 ( 0.910 0.531 -0.749) 1.292 4.775 ( -4.178 -0.650 0.391) 4.246 4.782 ( -3.867 -0.881 -0.392) 3.986 4.983 ( 0.478 0.340 1.414) 1.530 5.000 ( -0.983 0.643 -0.418) 1.247 5.424 ( 0.633 0.644 7.057) 7.114 5.466 ( -2.742 2.066 0.337) 3.449 5.556 ( -0.519 0.098 1.472) 1.564 5.606 ( 0.883 -0.650 -2.467) 2.699 5.805 ( 0.034 -0.263 10.541) 10.545 6.036 ( -1.790 -0.206 -4.367) 4.723 6.068 ( -0.306 -0.127 -4.243) 4.256 6.091 ( -0.449 -0.277 -2.309) 2.368 6.283 ( -0.510 -0.237 1.116) 1.250 6.297 ( -0.280 0.023 -0.346) 0.445 ======================= Grid point 433 (130/171) ======================= q-point: (-0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.056 0.805 1.794) 1.967 0.977 ( 0.602 1.461 -1.371) 2.092 1.166 ( -2.644 -1.333 0.705) 3.043 1.182 ( -2.570 -1.240 -0.895) 2.991 1.336 ( -4.948 -1.815 2.662) 5.905 1.381 ( -3.127 0.605 -1.592) 3.561 1.720 ( 3.531 1.985 2.583) 4.804 1.779 ( 5.537 0.224 -3.301) 6.450 2.050 ( -1.815 -2.170 5.766) 6.423 2.103 ( 0.197 -1.489 -0.375) 1.548 2.168 ( -0.064 0.335 -0.162) 0.377 2.206 ( 0.082 -0.221 -2.829) 2.839 2.390 ( -1.557 0.418 15.437) 15.521 2.507 ( 1.818 0.008 1.040) 2.094 2.743 ( -3.061 -0.688 7.860) 8.463 2.898 ( -6.161 -1.149 -0.351) 6.277 2.964 ( -5.452 -0.983 -0.231) 5.545 3.150 ( -5.181 -0.712 -20.501) 21.157 4.316 ( 0.264 -0.181 4.556) 4.567 4.373 ( 2.068 -0.894 -1.602) 2.764 4.470 ( 3.182 0.866 0.141) 3.301 4.475 ( 4.148 1.047 -0.377) 4.294 4.692 ( -4.275 -0.413 1.097) 4.433 4.716 ( -3.080 -0.851 -1.315) 3.455 4.944 ( -4.720 0.384 1.754) 5.050 4.972 ( -1.711 -0.101 -0.679) 1.844 5.397 ( -2.765 2.049 1.598) 3.794 5.426 ( -0.897 1.672 0.094) 1.900 5.534 ( 0.043 -0.040 7.541) 7.542 5.639 ( 1.596 -0.157 -3.170) 3.553 5.801 ( -0.781 -0.338 8.529) 8.571 6.000 ( -1.875 -0.260 -6.402) 6.676 6.061 ( -0.465 -0.434 -1.387) 1.526 6.081 ( -0.876 -0.755 -1.957) 2.273 6.276 ( -0.179 -0.266 1.113) 1.158 6.291 ( -0.237 0.025 -0.390) 0.457 ======================= Grid point 434 (131/171) ======================= q-point: (-0.36 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -0.522 0.642 2.226) 2.375 0.977 ( 0.101 0.520 -1.520) 1.610 1.104 ( -3.832 -1.166 0.249) 4.013 1.111 ( -5.883 -1.244 -0.359) 6.024 1.246 ( -5.796 -3.441 3.109) 7.423 1.308 ( -4.511 -0.214 -2.626) 5.224 1.699 ( -3.360 2.258 2.791) 4.917 1.759 ( -5.257 0.544 -2.955) 6.055 2.072 ( 0.593 -0.622 7.976) 8.022 2.112 ( -0.444 0.382 -0.967) 1.130 2.131 ( -1.910 0.295 4.946) 5.310 2.262 ( 2.542 -0.277 -4.545) 5.215 2.350 ( -2.433 0.311 11.900) 12.151 2.515 ( -0.919 0.036 -2.366) 2.538 2.676 ( -4.677 -0.502 6.653) 8.148 2.752 ( -9.940 -1.268 0.045) 10.021 2.818 ( -10.719 -1.086 1.985) 10.955 3.052 ( -5.183 -0.540 -19.407) 20.095 4.280 ( -4.658 -0.636 4.973) 6.843 4.355 ( -5.969 -1.149 -2.892) 6.731 4.529 ( 2.588 1.531 1.113) 3.207 4.556 ( 2.108 1.384 -1.497) 2.933 4.646 ( 0.796 0.479 2.449) 2.619 4.691 ( 0.458 -0.368 -2.206) 2.283 4.841 ( -4.260 -0.523 4.478) 6.203 4.930 ( -2.232 -0.937 -3.862) 4.558 5.346 ( -1.250 1.763 1.662) 2.726 5.388 ( -1.393 1.513 -2.301) 3.086 5.569 ( 2.711 0.129 7.230) 7.723 5.652 ( -0.355 0.371 -2.287) 2.344 5.781 ( -1.217 -0.866 8.843) 8.968 5.979 ( -0.249 -0.288 -7.722) 7.731 6.057 ( -0.369 -0.689 -0.151) 0.796 6.065 ( -1.079 -1.060 -0.821) 1.721 6.285 ( 1.187 -0.063 0.704) 1.382 6.294 ( 0.837 0.125 -0.196) 0.868 ======================= Grid point 435 (132/171) ======================= q-point: (-0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -3.019 0.933 2.815) 4.232 0.944 ( -6.729 -0.262 -0.149) 6.736 1.014 ( -1.517 -1.503 2.082) 2.982 1.055 ( -1.753 -1.486 -1.336) 2.658 1.157 ( -5.199 -2.864 2.145) 6.312 1.217 ( -5.341 -0.947 -3.249) 6.323 1.608 ( -4.499 1.662 1.775) 5.114 1.638 ( -6.621 0.392 -0.444) 6.648 2.044 ( -2.722 0.774 2.578) 3.828 2.065 ( -4.111 0.317 14.697) 15.265 2.107 ( -1.935 0.463 -3.854) 4.337 2.236 ( -6.867 0.362 -4.033) 7.972 2.269 ( -6.851 0.742 9.928) 12.085 2.460 ( -7.186 -1.010 -4.388) 8.480 2.535 ( -9.034 -0.039 0.131) 9.035 2.539 ( -12.314 -0.206 -0.797) 12.342 2.643 ( -5.122 0.266 11.555) 12.642 2.976 ( -2.757 0.019 -19.972) 20.161 4.111 ( -20.649 -1.108 1.699) 20.748 4.134 ( -11.872 -1.111 -0.161) 11.925 4.480 ( -6.919 0.985 -0.093) 6.990 4.491 ( -5.969 1.378 -1.090) 6.223 4.709 ( 3.285 -0.189 1.450) 3.596 4.739 ( 3.742 -0.652 -1.751) 4.183 4.864 ( 5.865 0.139 3.451) 6.806 4.943 ( 3.691 -0.788 -4.098) 5.572 5.341 ( 1.523 0.950 1.748) 2.506 5.381 ( 1.421 0.581 -2.096) 2.598 5.593 ( -0.708 0.506 1.831) 2.028 5.619 ( -2.795 0.329 -0.817) 2.931 5.789 ( 1.705 -1.943 11.772) 12.052 5.985 ( -0.130 -0.614 -6.021) 6.053 6.043 ( -0.943 -0.761 1.034) 1.593 6.077 ( 2.278 0.148 -2.597) 3.457 6.323 ( 2.808 0.222 0.404) 2.845 6.326 ( 2.616 0.380 0.159) 2.648 ======================= Grid point 436 (133/171) ======================= q-point: (-0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -9.854 -0.758 5.789) 11.453 0.822 ( -4.720 1.721 1.536) 5.253 1.006 ( -5.168 0.102 -0.397) 5.184 1.021 ( -1.287 -0.095 -0.962) 1.610 1.110 ( 0.066 -1.500 0.366) 1.545 1.132 ( -3.282 -2.372 -1.795) 4.430 1.528 ( -4.359 -0.558 2.472) 5.042 1.540 ( -1.798 -0.188 -0.066) 1.809 1.891 ( -17.641 0.104 2.653) 17.839 1.935 ( -19.171 0.473 -1.032) 19.205 1.980 ( -8.566 -0.030 1.689) 8.731 2.022 ( -6.815 -0.665 -0.472) 6.864 2.102 ( -6.863 2.570 17.467) 18.942 2.260 ( -8.365 -0.012 7.961) 11.548 2.403 ( -2.307 -0.200 -5.803) 6.248 2.453 ( -2.256 2.838 -9.851) 10.497 2.577 ( -2.134 0.845 14.334) 14.517 2.934 ( -3.231 0.559 -19.780) 20.050 3.625 ( -29.244 -1.987 7.063) 30.151 3.815 ( -23.716 -2.352 -11.501) 26.462 4.321 ( -8.695 0.246 0.098) 8.699 4.346 ( -8.005 0.904 -2.252) 8.364 4.755 ( 1.563 -0.349 2.810) 3.235 4.811 ( 3.037 -1.096 -2.805) 4.277 4.988 ( 6.069 -0.193 3.298) 6.910 5.047 ( 5.975 0.035 -2.473) 6.467 5.393 ( 3.824 -0.372 1.614) 4.167 5.428 ( 3.069 -0.406 -1.672) 3.518 5.554 ( -2.382 0.036 -0.213) 2.392 5.556 ( -3.376 0.053 -0.221) 3.383 5.844 ( 1.985 -3.329 10.134) 10.850 5.973 ( -1.306 -1.230 -2.898) 3.409 6.046 ( 1.627 0.664 3.555) 3.965 6.145 ( 4.820 1.721 -5.460) 7.484 6.381 ( 3.283 0.539 0.605) 3.382 6.385 ( 3.719 0.676 0.319) 3.793 ======================= Grid point 437 (134/171) ======================= q-point: (-0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -6.876 1.831 9.240) 11.662 0.731 ( -3.522 1.891 0.094) 3.998 0.857 ( -9.168 2.274 1.859) 9.627 0.944 ( -5.322 0.862 -4.341) 6.922 1.122 ( 0.838 -0.320 1.673) 1.898 1.155 ( 2.602 -2.091 -1.234) 3.559 1.420 ( -16.514 -1.151 3.021) 16.828 1.480 ( -16.514 -1.993 -2.320) 16.795 1.552 ( -2.966 -0.513 4.271) 5.225 1.598 ( -1.056 0.452 -1.482) 1.875 1.815 ( -10.821 -0.634 3.742) 11.467 1.880 ( -8.648 -1.207 -3.103) 9.267 2.006 ( -2.449 2.872 20.126) 20.477 2.185 ( 0.293 1.870 12.426) 12.569 2.372 ( -2.264 0.537 -10.453) 10.709 2.413 ( -0.512 3.178 -10.960) 11.423 2.524 ( -4.993 1.024 11.451) 12.534 2.681 ( -24.374 -0.209 -2.275) 24.481 3.223 ( -20.602 -4.260 -8.269) 22.604 3.287 ( -20.564 -0.586 -13.463) 24.586 4.185 ( -5.233 -0.174 0.187) 5.239 4.199 ( -6.398 0.346 -1.297) 6.537 4.774 ( 0.322 -0.562 3.911) 3.964 4.858 ( 1.286 -1.309 -4.291) 4.667 5.078 ( 3.153 -0.607 3.935) 5.079 5.139 ( 3.517 0.058 -1.911) 4.003 5.452 ( 0.625 -0.689 0.712) 1.172 5.461 ( -0.372 -0.329 -0.131) 0.514 5.520 ( 0.557 -1.227 0.695) 1.516 5.545 ( 1.553 -0.634 -1.974) 2.590 5.891 ( 0.893 -5.552 5.696) 8.004 5.959 ( -0.719 -1.739 -1.792) 2.599 6.095 ( 3.565 1.806 6.247) 7.415 6.221 ( 3.971 3.018 -5.776) 7.632 6.434 ( 2.373 0.575 1.228) 2.733 6.450 ( 3.411 0.853 -0.254) 3.525 ======================= Grid point 438 (135/171) ======================= q-point: (-0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.000 3.636 11.113) 11.693 0.689 ( 0.000 2.499 11.974) 12.232 0.714 ( 0.000 1.340 -6.627) 6.761 0.875 ( 0.000 0.122 -6.603) 6.604 1.158 ( 0.000 0.004 5.075) 5.075 1.190 ( 0.000 0.377 1.312) 1.365 1.220 ( 0.000 0.241 -1.638) 1.656 1.254 ( -0.000 -1.269 -4.109) 4.301 1.618 ( -0.000 -3.316 6.383) 7.193 1.623 ( 0.000 0.341 6.745) 6.754 1.668 ( -0.000 -0.908 -1.118) 1.440 1.758 ( -0.000 -0.017 -6.285) 6.285 1.972 ( 0.000 2.543 20.818) 20.973 2.272 ( -0.000 -0.202 2.075) 2.085 2.280 ( 0.000 0.216 1.269) 1.287 2.299 ( 0.000 1.556 7.498) 7.658 2.380 ( 0.000 2.022 -14.967) 15.103 2.452 ( 0.000 0.650 -7.113) 7.142 2.883 ( -0.000 -2.010 14.416) 14.556 3.225 ( -0.000 -0.257 -19.133) 19.135 4.134 ( -0.000 -0.115 -0.220) 0.248 4.136 ( -0.000 -0.253 -0.442) 0.509 4.779 ( -0.000 -0.590 4.284) 4.324 4.875 ( -0.000 -1.160 -5.030) 5.162 5.111 ( -0.000 -0.515 3.997) 4.030 5.173 ( 0.000 0.029 -1.827) 1.827 5.449 ( -0.000 -0.201 0.384) 0.433 5.453 ( -0.000 -0.142 -0.001) 0.142 5.549 ( -0.000 -1.666 0.548) 1.754 5.570 ( -0.000 -0.558 -1.773) 1.859 5.932 ( -0.000 -5.806 2.322) 6.253 5.963 ( -0.000 -1.835 -0.981) 2.081 6.130 ( 0.000 1.126 6.022) 6.126 6.245 ( 0.000 3.472 -5.363) 6.389 6.455 ( 0.000 0.366 1.683) 1.722 6.486 ( 0.000 0.606 -1.328) 1.460 ======================= Grid point 441 (136/171) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 1.121 0.000 2.245) 2.509 0.964 ( -0.739 -0.000 -1.673) 1.829 1.124 ( 3.291 0.000 0.216) 3.298 1.134 ( 5.643 0.000 -0.754) 5.693 1.308 ( 3.300 0.000 0.518) 3.340 1.312 ( 4.647 0.000 0.298) 4.656 1.657 ( 3.925 0.000 3.898) 5.532 1.752 ( 5.196 0.000 -4.828) 7.093 2.085 ( 2.420 0.000 3.972) 4.651 2.107 ( 0.042 0.000 -2.104) 2.104 2.124 ( 1.959 0.000 10.204) 10.390 2.265 ( -2.085 -0.000 -4.026) 4.534 2.343 ( 2.498 0.000 11.553) 11.820 2.516 ( 0.902 0.000 -2.758) 2.902 2.686 ( 4.605 0.000 7.658) 8.936 2.773 ( 10.407 0.000 0.080) 10.407 2.838 ( 10.935 0.000 1.644) 11.058 3.062 ( 5.553 0.000 -19.359) 20.140 4.291 ( 4.215 0.000 5.599) 7.009 4.375 ( 5.792 0.000 -3.095) 6.567 4.502 ( -2.027 -0.000 1.115) 2.314 4.532 ( -1.801 -0.000 -1.859) 2.588 4.637 ( -0.358 -0.000 2.919) 2.941 4.697 ( -0.163 -0.000 -3.179) 3.183 4.851 ( 3.752 0.000 4.961) 6.221 4.948 ( 1.655 0.000 -4.101) 4.422 5.314 ( 0.891 0.000 1.759) 1.972 5.358 ( 0.721 0.000 -2.517) 2.618 5.568 ( -2.201 -0.000 6.308) 6.681 5.647 ( 0.574 0.000 -2.622) 2.684 5.796 ( 0.226 0.000 8.872) 8.875 5.985 ( 0.181 0.000 -7.317) 7.320 6.068 ( 0.134 0.000 0.250) 0.283 6.084 ( 1.166 0.000 -1.224) 1.691 6.287 ( -0.883 -0.000 0.519) 1.024 6.291 ( -0.668 -0.000 0.023) 0.668 ======================= Grid point 442 (137/171) ======================= q-point: ( 0.21 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -0.258 -0.080 1.148) 1.180 0.949 ( -0.948 -0.261 -0.541) 1.122 1.185 ( 2.786 0.117 0.922) 2.937 1.211 ( 2.151 0.283 -1.603) 2.697 1.359 ( 2.027 -0.188 0.900) 2.225 1.375 ( 2.184 0.253 -0.568) 2.271 1.691 ( -1.352 -0.156 4.080) 4.301 1.782 ( -3.163 0.109 -4.785) 5.737 2.105 ( 1.168 1.326 5.137) 5.432 2.116 ( 0.983 -0.807 3.596) 3.815 2.168 ( 2.664 0.201 -2.800) 3.870 2.199 ( -3.190 -0.269 -2.691) 4.182 2.381 ( 1.535 -0.096 14.971) 15.050 2.509 ( -1.670 0.030 0.264) 1.691 2.757 ( 3.081 0.138 8.440) 8.986 2.923 ( 5.768 0.265 -0.553) 5.800 2.987 ( 5.148 0.257 0.166) 5.157 3.165 ( 4.974 0.133 -20.086) 20.693 4.320 ( -0.588 0.047 5.187) 5.220 4.388 ( -2.372 0.100 -2.020) 3.117 4.451 ( -2.395 -0.204 0.133) 2.407 4.457 ( -3.930 -0.121 -0.510) 3.965 4.702 ( 5.173 0.110 1.531) 5.396 4.735 ( 3.641 0.210 -1.809) 4.071 4.936 ( 3.836 -0.074 2.186) 4.416 4.977 ( 0.802 0.077 -1.336) 1.560 5.355 ( 3.026 -0.416 1.303) 3.321 5.386 ( 1.416 -0.455 -1.281) 1.962 5.536 ( -0.337 0.029 8.548) 8.554 5.641 ( -1.032 0.018 -3.156) 3.320 5.806 ( 0.492 0.041 8.531) 8.545 6.006 ( 1.841 0.058 -6.734) 6.981 6.070 ( 0.115 0.082 -0.708) 0.722 6.096 ( 0.287 0.148 -2.230) 2.254 6.283 ( 0.282 0.090 0.789) 0.843 6.290 ( 0.292 -0.017 0.012) 0.293 ======================= Grid point 443 (138/171) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -1.226 -0.376 0.794) 1.508 0.929 ( -1.370 -0.615 -0.397) 1.554 1.202 ( -2.278 0.804 0.951) 2.596 1.219 ( 0.578 -0.005 -0.623) 0.850 1.389 ( 1.369 0.396 0.795) 1.632 1.407 ( 1.663 -1.115 -0.956) 2.219 1.611 ( -5.754 0.473 2.557) 6.314 1.660 ( -7.305 0.816 -2.137) 7.655 2.125 ( 0.651 -0.049 3.556) 3.616 2.166 ( 3.142 0.118 1.297) 3.402 2.174 ( 1.485 0.887 -0.396) 1.774 2.227 ( 2.871 -0.678 -3.596) 4.651 2.389 ( -0.984 -0.199 13.162) 13.200 2.457 ( -3.281 0.254 1.790) 3.746 2.802 ( 1.699 0.178 11.714) 11.838 2.995 ( 2.116 0.321 0.896) 2.321 3.043 ( 1.295 0.343 -0.925) 1.628 3.238 ( 2.707 0.062 -22.463) 22.626 4.292 ( -1.828 0.037 3.383) 3.845 4.330 ( -3.230 0.201 -0.944) 3.371 4.411 ( -0.884 -0.217 0.600) 1.090 4.427 ( -0.326 -0.195 -0.913) 0.989 4.793 ( 3.917 0.364 0.810) 4.016 4.807 ( 3.467 0.497 -0.598) 3.553 4.974 ( -0.810 -0.175 0.808) 1.158 4.982 ( 1.161 -0.351 -0.229) 1.235 5.404 ( 0.450 -0.440 4.517) 4.560 5.423 ( 3.746 -0.585 0.296) 3.803 5.558 ( 1.852 0.086 3.696) 4.135 5.613 ( -1.806 0.010 -1.976) 2.677 5.809 ( -0.164 0.032 10.199) 10.200 6.042 ( 1.720 0.111 -4.726) 5.030 6.071 ( -0.033 0.043 -3.811) 3.811 6.097 ( -0.020 0.110 -2.406) 2.409 6.289 ( 0.245 0.108 0.835) 0.877 6.296 ( 0.301 -0.003 -0.001) 0.301 ======================= Grid point 444 (139/171) ======================= q-point: ( 0.36 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 1.061 -0.229 0.828) 1.365 0.924 ( 1.195 -0.907 -0.513) 1.585 1.157 ( -0.889 1.171 3.738) 4.017 1.219 ( -0.174 0.210 -2.348) 2.364 1.422 ( 2.619 0.862 2.067) 3.446 1.461 ( 3.601 -0.983 -1.702) 4.103 1.508 ( -4.452 0.338 1.863) 4.838 1.553 ( -3.271 -0.116 -2.279) 3.988 2.129 ( -0.245 -0.464 2.826) 2.875 2.182 ( -1.503 -0.137 -2.712) 3.104 2.196 ( -0.742 -0.030 3.525) 3.602 2.279 ( 0.683 -0.032 -3.870) 3.930 2.367 ( 0.240 -0.335 12.523) 12.529 2.415 ( 0.143 0.652 2.105) 2.209 2.814 ( -0.495 -0.049 14.252) 14.260 3.007 ( -0.622 0.051 1.931) 2.029 3.046 ( -0.555 0.126 -1.993) 2.072 3.261 ( -0.436 -0.211 -23.762) 23.767 4.270 ( -0.165 -0.024 2.233) 2.239 4.287 ( -0.794 -0.067 -0.078) 0.800 4.414 ( 0.806 0.045 0.588) 0.998 4.431 ( 0.541 0.044 -1.101) 1.227 4.822 ( -0.982 -0.014 0.432) 1.074 4.830 ( -1.348 0.029 -0.360) 1.396 4.970 ( 0.769 -0.001 2.084) 2.221 5.001 ( 0.980 0.014 -1.162) 1.521 5.415 ( 0.636 -0.060 8.490) 8.514 5.495 ( 3.298 0.055 -1.583) 3.659 5.558 ( -1.769 0.959 1.303) 2.397 5.598 ( 0.057 -0.861 -2.217) 2.378 5.803 ( -0.292 -0.077 11.997) 12.001 6.058 ( -0.441 -0.026 1.035) 1.126 6.069 ( 0.115 0.053 -10.107) 10.107 6.095 ( -0.211 -0.006 -2.366) 2.376 6.289 ( -0.263 -0.032 0.973) 1.009 6.300 ( 0.031 0.022 -0.188) 0.192 ======================= Grid point 445 (140/171) ======================= q-point: (-0.57 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 1.518 0.383 1.612) 2.247 0.971 ( 2.592 0.815 -1.099) 2.931 1.160 ( 0.637 -0.190 3.301) 3.367 1.210 ( -1.130 -0.189 -1.801) 2.134 1.411 ( -4.129 0.217 2.364) 4.763 1.442 ( -2.181 0.805 -0.487) 2.375 1.585 ( 9.442 -0.333 0.044) 9.448 1.603 ( 8.405 -1.145 -1.966) 8.707 2.105 ( -3.662 -0.830 0.649) 3.810 2.115 ( -4.590 -1.284 0.154) 4.769 2.165 ( -0.926 -0.141 3.777) 3.891 2.247 ( -2.584 0.061 -3.921) 4.696 2.400 ( 1.338 0.088 13.083) 13.151 2.456 ( 3.412 0.404 2.291) 4.130 2.785 ( -2.429 -0.443 11.926) 12.179 2.972 ( -3.171 -0.449 1.232) 3.431 3.022 ( -2.200 -0.342 -1.635) 2.762 3.224 ( -3.461 -0.505 -22.956) 23.221 4.288 ( 1.765 -0.104 2.467) 3.035 4.306 ( 2.467 -0.661 0.014) 2.554 4.436 ( 1.726 0.680 0.202) 1.866 4.444 ( 1.097 0.436 -0.653) 1.349 4.769 ( -4.236 -0.482 0.289) 4.273 4.774 ( -4.009 -0.650 -0.295) 4.072 4.986 ( 0.413 0.255 1.605) 1.677 5.006 ( -0.926 0.495 -0.490) 1.159 5.429 ( 1.009 0.474 8.279) 8.353 5.487 ( -2.716 1.959 0.208) 3.355 5.558 ( 0.087 0.345 0.251) 0.436 5.597 ( 0.693 -1.015 -2.489) 2.776 5.802 ( -0.023 -0.278 10.789) 10.793 6.034 ( -1.815 -0.151 -4.169) 4.549 6.067 ( -0.450 -0.110 -4.501) 4.525 6.088 ( -0.631 -0.226 -2.282) 2.378 6.281 ( -0.565 -0.191 1.220) 1.358 6.297 ( -0.287 0.024 -0.469) 0.550 ======================= Grid point 446 (141/171) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -0.017 0.898 2.134) 2.316 0.992 ( 0.381 1.509 -1.666) 2.279 1.151 ( -2.401 -1.553 1.172) 3.090 1.171 ( -3.167 -1.056 -0.881) 3.452 1.318 ( -5.962 -1.816 3.652) 7.223 1.386 ( -3.595 0.263 -2.670) 4.486 1.742 ( 4.380 2.440 1.719) 5.300 1.783 ( 6.727 0.584 -2.388) 7.162 2.028 ( -2.214 -2.185 5.759) 6.545 2.087 ( 0.993 -1.678 -1.066) 2.222 2.172 ( 0.468 0.308 0.039) 0.561 2.203 ( -0.808 -0.471 -2.412) 2.587 2.394 ( -1.588 0.361 15.632) 15.716 2.508 ( 1.761 0.054 1.237) 2.152 2.736 ( -3.025 -0.650 7.575) 8.183 2.887 ( -6.381 -1.010 -0.318) 6.468 2.955 ( -5.611 -0.825 -0.387) 5.685 3.143 ( -5.204 -0.678 -20.676) 21.332 4.314 ( 0.152 -0.136 4.217) 4.222 4.364 ( 2.061 -0.891 -1.224) 2.557 4.478 ( 3.353 0.796 0.179) 3.451 4.486 ( 4.262 1.002 -0.526) 4.410 4.689 ( -3.937 -0.335 0.932) 4.060 4.708 ( -2.896 -0.735 -1.059) 3.170 4.948 ( -5.047 0.362 1.608) 5.309 4.972 ( -2.003 -0.022 -0.445) 2.052 5.417 ( -2.750 1.995 1.627) 3.767 5.441 ( -0.650 1.335 1.335) 1.996 5.534 ( -0.207 0.018 6.494) 6.497 5.637 ( 2.018 -0.192 -3.246) 3.827 5.797 ( -0.901 -0.387 8.701) 8.756 5.998 ( -1.911 -0.234 -6.189) 6.482 6.057 ( -0.627 -0.412 -1.762) 1.915 6.073 ( -1.161 -0.712 -1.838) 2.287 6.274 ( -0.115 -0.208 1.204) 1.227 6.291 ( -0.222 0.020 -0.542) 0.586 ======================= Grid point 447 (142/171) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -0.722 0.400 2.184) 2.335 0.981 ( -0.725 0.383 -1.440) 1.657 1.091 ( -4.192 -1.475 0.327) 4.456 1.100 ( -5.460 -1.153 -0.471) 5.600 1.213 ( -5.936 -2.933 4.496) 8.003 1.305 ( -4.917 -0.382 -3.991) 6.345 1.721 ( -3.653 2.256 2.311) 4.876 1.765 ( -5.483 0.626 -1.894) 5.835 2.066 ( 2.011 -0.494 8.807) 9.047 2.116 ( 0.124 0.424 -0.983) 1.078 2.134 ( -2.027 0.216 4.015) 4.503 2.259 ( 2.951 -0.388 -4.781) 5.632 2.353 ( -2.514 0.185 12.187) 12.445 2.516 ( -0.799 0.096 -2.139) 2.285 2.672 ( -4.594 -0.441 6.029) 7.593 2.739 ( -9.837 -1.386 0.007) 9.934 2.807 ( -10.623 -1.042 2.152) 10.889 3.047 ( -4.981 -0.548 -19.462) 20.097 4.273 ( -4.942 -0.624 4.637) 6.806 4.343 ( -6.043 -1.116 -2.755) 6.734 4.544 ( 3.001 1.552 1.112) 3.556 4.570 ( 2.331 1.437 -1.326) 3.042 4.650 ( 1.054 0.464 2.129) 2.420 4.687 ( 0.585 -0.407 -1.670) 1.816 4.836 ( -4.601 -0.509 4.268) 6.296 4.921 ( -2.735 -0.867 -3.753) 4.724 5.364 ( -1.517 1.746 1.568) 2.794 5.402 ( -1.762 1.352 -2.017) 3.000 5.571 ( 3.037 0.187 7.706) 8.285 5.657 ( -0.179 0.484 -2.226) 2.285 5.772 ( -1.728 -0.921 8.932) 9.144 5.977 ( -0.227 -0.273 -7.937) 7.945 6.049 ( -0.850 -0.859 -0.302) 1.246 6.055 ( -0.712 -0.987 -0.693) 1.401 6.285 ( 1.331 -0.038 0.768) 1.537 6.295 ( 0.924 0.110 -0.289) 0.974 ======================= Grid point 448 (143/171) ======================= q-point: (-0.36 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -4.496 -0.916 2.579) 5.263 0.943 ( -5.563 0.038 -0.279) 5.570 0.999 ( -1.928 -1.346 2.722) 3.597 1.040 ( -1.793 -1.618 -1.123) 2.664 1.131 ( -4.397 -2.324 2.467) 5.551 1.209 ( -5.329 -0.520 -4.401) 6.931 1.621 ( -5.447 0.968 2.305) 5.993 1.644 ( -6.458 0.751 0.037) 6.502 2.052 ( -2.888 0.821 2.280) 3.770 2.070 ( -3.582 0.761 14.598) 15.051 2.111 ( -2.372 0.456 -3.523) 4.272 2.239 ( -6.681 0.256 -3.749) 7.666 2.276 ( -6.302 0.501 9.478) 11.393 2.452 ( -8.467 -0.552 -3.794) 9.294 2.530 ( -13.153 -0.778 -0.193) 13.177 2.541 ( -5.744 0.487 -1.143) 5.877 2.645 ( -4.450 0.111 11.387) 12.227 2.976 ( -2.423 -0.024 -19.900) 20.047 4.100 ( -20.919 -1.210 1.492) 21.007 4.122 ( -12.319 -1.264 -0.373) 12.390 4.491 ( -7.173 1.145 0.442) 7.277 4.506 ( -6.470 1.605 -1.068) 6.751 4.707 ( 2.947 -0.253 1.338) 3.247 4.732 ( 3.351 -0.759 -1.392) 3.707 4.866 ( 6.135 0.230 2.850) 6.768 4.933 ( 4.194 -1.069 -3.686) 5.685 5.351 ( 0.959 1.023 1.591) 2.120 5.387 ( 0.827 0.518 -1.778) 2.029 5.599 ( -0.817 0.581 1.811) 2.070 5.623 ( -2.887 0.434 -0.623) 2.985 5.769 ( 1.199 -1.973 12.757) 12.964 5.979 ( -0.424 -0.439 -6.119) 6.149 6.035 ( -0.538 -0.902 1.195) 1.591 6.077 ( 3.025 -0.055 -3.168) 4.381 6.325 ( 2.963 0.236 0.521) 3.018 6.330 ( 2.835 0.400 0.125) 2.865 ======================= Grid point 449 (144/171) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -8.613 -0.498 5.762) 10.375 0.839 ( -4.794 1.422 -0.370) 5.014 1.007 ( -3.558 -0.441 1.186) 3.777 1.015 ( 0.408 -0.745 -0.095) 0.855 1.086 ( -0.941 -2.879 0.227) 3.037 1.118 ( -3.589 -0.496 -2.868) 4.620 1.520 ( -5.226 -0.923 3.263) 6.230 1.539 ( -3.557 -0.082 0.199) 3.564 1.894 ( -17.401 0.647 3.200) 17.704 1.942 ( -18.334 0.789 -1.428) 18.406 1.977 ( -9.472 -0.580 1.192) 9.565 2.017 ( -7.374 -0.228 -2.024) 7.650 2.125 ( -6.577 1.995 18.069) 19.332 2.265 ( -6.503 0.958 8.766) 10.957 2.401 ( -1.855 -0.266 -5.937) 6.226 2.483 ( -1.342 3.136 -9.153) 9.769 2.587 ( -1.925 0.942 13.902) 14.066 2.941 ( -2.910 0.718 -19.763) 19.989 3.603 ( -30.142 -2.460 6.881) 31.015 3.788 ( -25.013 -3.076 -11.264) 27.604 4.325 ( -9.022 0.552 0.570) 9.057 4.355 ( -8.066 0.902 -2.354) 8.451 4.752 ( 1.536 -0.332 2.419) 2.885 4.799 ( 2.826 -1.264 -2.437) 3.940 4.985 ( 5.631 -0.331 3.646) 6.716 5.046 ( 6.048 -0.249 -2.388) 6.507 5.389 ( 3.031 -0.358 1.608) 3.450 5.423 ( 2.568 -0.615 -1.518) 3.046 5.553 ( -2.736 -0.086 -0.154) 2.741 5.556 ( -3.726 -0.033 -0.194) 3.731 5.812 ( 1.032 -3.096 11.517) 11.971 5.962 ( -1.437 -0.840 -3.484) 3.861 6.052 ( 2.453 0.370 4.022) 4.726 6.160 ( 5.511 1.429 -5.944) 8.231 6.386 ( 3.466 0.580 0.762) 3.595 6.393 ( 3.997 0.928 0.208) 4.109 ======================= Grid point 450 (145/171) ======================= q-point: (-0.21 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -4.346 3.345 7.508) 9.297 0.752 ( -3.015 2.198 -2.184) 4.324 0.886 ( -7.904 3.483 2.257) 8.928 0.955 ( -5.627 1.217 -2.956) 6.472 1.113 ( 1.870 -1.985 0.920) 2.879 1.130 ( 2.719 -2.509 -0.058) 3.700 1.404 ( -14.204 -2.042 3.167) 14.696 1.454 ( -12.770 -3.035 -0.816) 13.151 1.551 ( -7.205 0.382 4.016) 8.257 1.609 ( -4.534 1.470 -1.737) 5.073 1.808 ( -10.381 -0.614 2.567) 10.711 1.869 ( -8.380 -0.871 -3.463) 9.109 2.034 ( -2.334 2.574 20.164) 20.461 2.209 ( 0.708 2.963 12.678) 13.039 2.377 ( -1.834 0.590 -9.749) 9.937 2.450 ( -0.540 4.053 -10.889) 11.631 2.537 ( -4.734 1.399 11.139) 12.184 2.679 ( -25.245 -0.269 -1.153) 25.273 3.176 ( -24.648 -5.052 -6.838) 26.073 3.274 ( -15.881 -1.977 -14.600) 21.663 4.184 ( -5.453 -0.156 0.484) 5.477 4.203 ( -6.841 0.457 -1.595) 7.040 4.768 ( 0.118 -0.602 3.548) 3.600 4.843 ( 1.008 -1.690 -3.797) 4.276 5.070 ( 2.929 -0.989 4.634) 5.571 5.138 ( 3.354 -0.337 -1.944) 3.892 5.443 ( 1.158 -1.109 1.106) 1.948 5.457 ( -0.106 -0.571 -0.259) 0.636 5.506 ( -0.973 -1.578 1.044) 2.127 5.536 ( 1.000 -1.206 -2.181) 2.685 5.836 ( -0.190 -5.149 8.411) 9.864 5.943 ( -0.979 -1.383 -2.847) 3.313 6.112 ( 3.715 1.578 6.666) 7.793 6.249 ( 4.408 2.578 -6.279) 8.093 6.441 ( 2.414 0.821 1.318) 2.871 6.461 ( 3.541 1.307 -0.645) 3.830 ======================= Grid point 451 (146/171) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 6.339 7.843) 10.084 0.724 ( 0.000 4.379 10.138) 11.044 0.733 ( 0.000 2.396 -6.905) 7.308 0.878 ( 0.000 0.326 -5.073) 5.084 1.159 ( 0.000 0.127 4.824) 4.825 1.194 ( 0.000 0.389 1.182) 1.245 1.224 ( 0.000 0.527 -1.717) 1.796 1.232 ( -0.000 -3.262 -1.901) 3.775 1.579 ( -0.000 -4.301 6.895) 8.127 1.628 ( 0.000 0.630 6.400) 6.431 1.658 ( -0.000 -0.820 -2.616) 2.741 1.758 ( -0.000 -0.021 -6.117) 6.117 2.001 ( 0.000 3.093 20.736) 20.965 2.269 ( -0.000 -0.349 2.399) 2.424 2.283 ( 0.000 0.388 1.035) 1.105 2.321 ( 0.000 2.781 6.764) 7.314 2.402 ( 0.000 2.025 -14.503) 14.644 2.465 ( 0.000 2.304 -6.527) 6.921 2.855 ( -0.000 -3.486 15.943) 16.320 3.221 ( -0.000 -0.505 -19.939) 19.945 4.132 ( -0.000 -0.263 -0.319) 0.413 4.132 ( -0.000 -0.401 -0.371) 0.547 4.771 ( -0.000 -0.882 3.988) 4.084 4.860 ( -0.000 -1.916 -4.554) 4.941 5.103 ( -0.000 -1.005 4.616) 4.725 5.172 ( -0.000 -0.283 -1.874) 1.895 5.446 ( -0.000 -0.353 0.407) 0.538 5.451 ( -0.000 -0.267 -0.050) 0.271 5.525 ( -0.000 -3.049 1.649) 3.467 5.560 ( -0.000 -1.355 -2.224) 2.604 5.865 ( -0.000 -6.855 6.032) 9.131 5.942 ( -0.000 -2.000 -2.182) 2.960 6.145 ( 0.000 1.743 6.963) 7.178 6.280 ( 0.000 3.271 -6.171) 6.985 6.461 ( 0.000 0.742 1.691) 1.846 6.495 ( 0.000 1.116 -1.756) 2.080 ======================= Grid point 456 (147/171) ======================= q-point: ( 0.21 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -1.232 -0.000 0.713) 1.423 0.925 ( -1.471 -0.000 -0.334) 1.509 1.207 ( -2.306 -0.000 0.711) 2.413 1.219 ( 0.690 0.000 -0.402) 0.799 1.394 ( 2.067 0.000 0.020) 2.067 1.399 ( 0.909 0.000 -0.404) 0.995 1.613 ( -5.616 -0.000 2.738) 6.248 1.664 ( -7.334 -0.000 -2.129) 7.637 2.124 ( 0.381 0.000 3.788) 3.807 2.167 ( 3.145 0.000 0.799) 3.245 2.179 ( 1.292 0.000 0.122) 1.298 2.223 ( 3.101 0.000 -3.667) 4.802 2.388 ( -0.994 -0.000 13.134) 13.172 2.459 ( -3.205 -0.000 1.592) 3.579 2.803 ( 1.651 0.000 11.716) 11.831 2.996 ( 2.049 0.000 0.864) 2.223 3.045 ( 1.241 0.000 -0.854) 1.507 3.238 ( 2.640 0.000 -22.427) 22.581 4.292 ( -1.834 -0.000 3.424) 3.884 4.331 ( -3.248 -0.000 -0.984) 3.394 4.410 ( -0.864 -0.000 0.601) 1.053 4.426 ( -0.273 -0.000 -0.918) 0.958 4.795 ( 3.886 0.000 0.858) 3.979 4.810 ( 3.433 0.000 -0.610) 3.486 4.973 ( -0.873 -0.000 0.747) 1.149 4.980 ( 1.198 0.000 -0.213) 1.217 5.401 ( 0.566 0.000 4.354) 4.391 5.420 ( 3.861 0.000 0.256) 3.869 5.558 ( 1.984 0.000 3.833) 4.316 5.613 ( -1.929 -0.000 -1.916) 2.719 5.809 ( -0.175 -0.000 10.191) 10.192 6.042 ( 1.714 0.000 -4.741) 5.041 6.071 ( -0.057 -0.000 -3.796) 3.796 6.098 ( -0.059 -0.000 -2.415) 2.416 6.289 ( 0.210 0.000 0.810) 0.837 6.296 ( 0.309 0.000 0.029) 0.311 ======================= Grid point 457 (148/171) ======================= q-point: ( 0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 1.015 0.169 0.365) 1.092 0.915 ( 1.673 -0.656 -0.193) 1.808 1.166 ( -0.955 0.533 3.380) 3.552 1.220 ( -0.179 0.065 -1.950) 1.960 1.430 ( 3.084 0.660 0.948) 3.293 1.451 ( 4.260 -0.694 -1.166) 4.471 1.510 ( -5.141 0.158 2.097) 5.555 1.552 ( -4.166 -0.081 -1.814) 4.544 2.126 ( -0.303 -0.202 2.968) 2.991 2.181 ( -1.793 -0.059 -2.747) 3.281 2.196 ( -0.938 -0.015 3.608) 3.728 2.279 ( 0.821 -0.015 -3.810) 3.898 2.365 ( 0.286 -0.125 12.654) 12.658 2.420 ( 0.175 0.262 1.504) 1.536 2.814 ( -0.618 -0.022 14.312) 14.325 3.007 ( -0.773 0.023 1.913) 2.063 3.047 ( -0.697 0.057 -1.919) 2.043 3.259 ( -0.541 -0.095 -23.757) 23.763 4.270 ( -0.204 -0.011 2.213) 2.223 4.287 ( -0.981 -0.030 -0.069) 0.984 4.414 ( 0.995 0.020 0.582) 1.153 4.432 ( 0.673 0.020 -1.102) 1.291 4.822 ( -1.224 -0.006 0.453) 1.305 4.830 ( -1.679 0.013 -0.365) 1.718 4.970 ( 0.957 -0.000 2.093) 2.301 5.001 ( 1.222 0.006 -1.164) 1.688 5.414 ( 0.810 -0.026 8.604) 8.642 5.495 ( 3.899 0.023 -1.403) 4.144 5.567 ( -2.362 0.763 0.270) 2.497 5.589 ( 0.426 -0.718 -1.488) 1.707 5.803 ( -0.367 -0.034 12.016) 12.022 6.057 ( -0.528 -0.011 0.922) 1.063 6.069 ( 0.121 0.023 -10.035) 10.036 6.095 ( -0.260 -0.003 -2.356) 2.371 6.288 ( -0.327 -0.014 0.997) 1.050 6.300 ( 0.036 0.009 -0.201) 0.204 ======================= Grid point 458 (149/171) ======================= q-point: (-0.64 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 1.903 0.095 1.761) 2.594 0.977 ( 3.259 0.396 -1.300) 3.531 1.161 ( -0.183 0.237 3.392) 3.405 1.209 ( -1.435 -0.116 -1.551) 2.117 1.410 ( -5.442 -0.302 2.644) 6.057 1.451 ( -2.400 0.752 -0.924) 2.679 1.583 ( 9.778 -0.193 -0.256) 9.783 1.595 ( 9.947 -0.578 -1.597) 10.091 2.098 ( -3.438 -0.532 0.274) 3.490 2.105 ( -5.610 -0.692 0.418) 5.668 2.163 ( -0.810 -0.124 4.198) 4.277 2.247 ( -2.629 -0.007 -3.908) 4.710 2.400 ( 1.547 0.018 13.015) 13.107 2.459 ( 3.188 0.297 1.908) 3.728 2.782 ( -2.564 -0.261 12.033) 12.306 2.969 ( -3.364 -0.234 1.283) 3.608 3.020 ( -2.381 -0.165 -1.710) 2.936 3.220 ( -3.538 -0.318 -23.029) 23.302 4.287 ( 1.774 -0.049 2.252) 2.867 4.301 ( 2.287 -0.390 0.222) 2.330 4.441 ( 1.953 0.398 0.088) 1.995 4.448 ( 1.197 0.238 -0.572) 1.348 4.765 ( -4.265 -0.252 0.230) 4.278 4.769 ( -4.107 -0.342 -0.222) 4.127 4.988 ( 0.378 0.136 1.733) 1.779 5.009 ( -0.886 0.267 -0.541) 1.072 5.433 ( 1.252 0.249 9.202) 9.290 5.503 ( -2.929 1.261 0.168) 3.193 5.563 ( 0.792 0.748 -0.946) 1.443 5.586 ( 0.508 -1.264 -2.316) 2.687 5.800 ( -0.070 -0.182 11.006) 11.008 6.033 ( -1.832 -0.078 -4.012) 4.411 6.066 ( -0.554 -0.064 -4.713) 4.746 6.086 ( -0.762 -0.126 -2.265) 2.393 6.279 ( -0.592 -0.106 1.293) 1.427 6.297 ( -0.294 0.015 -0.554) 0.628 ======================= Grid point 459 (150/171) ======================= q-point: (-0.57 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -0.029 0.735 2.445) 2.553 1.005 ( 0.238 1.172 -1.874) 2.224 1.137 ( -2.608 -1.184 1.771) 3.367 1.162 ( -3.609 -0.783 -0.911) 3.804 1.302 ( -6.417 -1.363 4.238) 7.810 1.387 ( -4.033 -0.012 -3.583) 5.394 1.766 ( 5.086 2.217 0.814) 5.608 1.789 ( 7.790 0.651 -1.503) 7.961 2.008 ( -2.702 -1.831 5.858) 6.706 2.071 ( 1.593 -1.374 -1.499) 2.584 2.174 ( 1.251 0.227 0.014) 1.271 2.198 ( -1.826 -0.465 -1.922) 2.691 2.397 ( -1.621 0.239 15.795) 15.880 2.508 ( 1.663 0.058 1.338) 2.135 2.730 ( -2.984 -0.468 7.334) 7.932 2.879 ( -6.575 -0.683 -0.315) 6.618 2.948 ( -5.748 -0.539 -0.505) 5.795 3.137 ( -5.191 -0.488 -20.813) 21.456 4.313 ( 0.069 -0.071 3.919) 3.921 4.356 ( 2.087 -0.657 -0.879) 2.358 4.485 ( 3.445 0.556 0.207) 3.495 4.495 ( 4.365 0.714 -0.680) 4.475 4.686 ( -3.688 -0.211 0.812) 3.782 4.701 ( -2.778 -0.493 -0.832) 2.941 4.951 ( -5.285 0.259 1.506) 5.501 4.972 ( -2.196 0.017 -0.274) 2.213 5.435 ( -2.844 1.539 1.572) 3.596 5.452 ( -0.369 0.778 2.754) 2.885 5.535 ( -0.513 0.039 5.277) 5.302 5.635 ( 2.484 -0.168 -3.358) 4.180 5.793 ( -0.998 -0.324 8.939) 9.000 5.996 ( -1.951 -0.161 -5.983) 6.295 6.053 ( -0.756 -0.291 -2.118) 2.268 6.067 ( -1.401 -0.513 -1.735) 2.288 6.272 ( -0.058 -0.128 1.260) 1.268 6.291 ( -0.213 0.014 -0.656) 0.689 ======================= Grid point 460 (151/171) ======================= q-point: (-0.50 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -1.468 0.029 2.252) 2.689 0.985 ( -1.751 0.290 -1.419) 2.272 1.077 ( -4.252 -1.311 0.505) 4.478 1.088 ( -4.846 -1.124 -0.811) 5.040 1.190 ( -5.795 -1.823 5.515) 8.205 1.300 ( -5.088 -0.416 -4.886) 7.067 1.743 ( -4.315 1.943 1.854) 5.082 1.771 ( -5.762 0.452 -0.896) 5.849 2.062 ( 3.416 -0.320 9.144) 9.767 2.120 ( 0.949 0.377 -1.155) 1.542 2.136 ( -2.319 0.128 3.681) 4.353 2.255 ( 3.431 -0.389 -4.959) 6.043 2.354 ( -2.666 0.052 12.519) 12.800 2.517 ( -0.588 0.122 -1.923) 2.014 2.668 ( -4.370 -0.281 5.453) 6.993 2.726 ( -9.931 -1.227 -0.080) 10.007 2.798 ( -10.555 -0.806 2.299) 10.832 3.042 ( -4.810 -0.445 -19.528) 20.116 4.268 ( -5.221 -0.494 4.351) 6.815 4.333 ( -6.094 -0.868 -2.628) 6.693 4.559 ( 3.459 1.269 1.113) 3.849 4.584 ( 2.569 1.200 -1.179) 3.071 4.655 ( 1.290 0.366 1.786) 2.234 4.683 ( 0.678 -0.371 -1.194) 1.422 4.832 ( -4.947 -0.404 4.116) 6.448 4.913 ( -3.326 -0.664 -3.648) 4.981 5.380 ( -1.803 1.413 1.431) 2.702 5.414 ( -2.089 0.954 -1.622) 2.812 5.573 ( 3.362 0.198 8.075) 8.749 5.662 ( 0.022 0.498 -2.310) 2.363 5.764 ( -2.163 -0.808 9.149) 9.436 5.974 ( -0.150 -0.203 -8.132) 8.136 6.040 ( -1.454 -0.877 -0.206) 1.711 6.047 ( -0.251 -0.678 -0.822) 1.095 6.284 ( 1.444 -0.017 0.812) 1.657 6.296 ( 0.997 0.081 -0.363) 1.064 ======================= Grid point 461 (152/171) ======================= q-point: (-0.43 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -5.708 -1.846 2.768) 6.607 0.938 ( -4.172 -1.283 -1.339) 4.566 0.992 ( -3.072 -0.036 2.469) 3.941 1.024 ( -1.888 -1.440 -1.009) 2.580 1.113 ( -3.518 -1.234 3.434) 5.069 1.206 ( -4.975 -0.202 -4.773) 6.897 1.627 ( -6.623 0.188 3.391) 7.443 1.653 ( -6.140 0.974 -0.113) 6.218 2.060 ( -3.161 0.699 2.246) 3.940 2.079 ( -2.921 1.046 14.346) 14.678 2.115 ( -2.767 0.368 -3.224) 4.264 2.241 ( -6.671 0.088 -3.326) 7.455 2.279 ( -5.895 0.134 8.999) 10.759 2.450 ( -8.884 0.111 -3.854) 9.685 2.521 ( -13.483 -1.010 -0.004) 13.521 2.547 ( -3.499 0.700 -1.768) 3.982 2.645 ( -3.834 -0.079 11.481) 12.104 2.976 ( -2.103 -0.072 -19.838) 19.949 4.088 ( -21.197 -1.077 1.290) 21.264 4.109 ( -12.778 -1.161 -0.544) 12.843 4.502 ( -7.389 1.043 0.950) 7.523 4.523 ( -7.126 1.581 -1.124) 7.385 4.704 ( 2.706 -0.267 1.249) 2.992 4.725 ( 3.016 -0.706 -1.030) 3.264 4.869 ( 6.303 0.388 2.053) 6.640 4.922 ( 4.646 -1.311 -3.078) 5.725 5.360 ( 0.435 0.907 1.419) 1.740 5.391 ( 0.254 0.356 -1.324) 1.394 5.605 ( -1.057 0.526 1.718) 2.084 5.627 ( -3.064 0.450 -0.563) 3.148 5.751 ( 0.989 -1.603 13.815) 13.942 5.977 ( -0.508 -0.118 -6.272) 6.294 6.025 ( -0.233 -0.974 1.358) 1.688 6.076 ( 3.659 -0.184 -3.662) 5.180 6.328 ( 3.108 0.203 0.634) 3.179 6.333 ( 3.056 0.343 0.097) 3.076 ======================= Grid point 462 (153/171) ======================= q-point: (-0.36 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -6.741 0.041 4.868) 8.315 0.848 ( -4.765 0.242 -2.411) 5.346 0.986 ( 0.235 -2.808 2.545) 3.797 1.016 ( -0.523 0.015 -0.389) 0.652 1.063 ( -1.980 -1.338 1.366) 2.753 1.117 ( -4.039 0.274 -3.094) 5.096 1.510 ( -6.059 -1.230 4.255) 7.505 1.539 ( -5.136 0.030 0.229) 5.141 1.903 ( -17.268 1.133 3.208) 17.600 1.949 ( -18.596 0.594 -1.698) 18.683 1.971 ( -8.548 -0.476 1.123) 8.635 2.016 ( -8.205 -0.121 -2.954) 8.722 2.141 ( -6.432 1.163 17.811) 18.972 2.279 ( -4.725 1.736 10.172) 11.349 2.398 ( -1.362 -0.291 -6.172) 6.327 2.513 ( -0.487 2.897 -8.670) 9.155 2.595 ( -1.666 0.805 13.508) 13.634 2.948 ( -2.453 0.749 -19.780) 19.945 3.578 ( -31.104 -2.449 6.622) 31.895 3.756 ( -26.605 -3.219 -10.915) 28.936 4.332 ( -9.457 0.730 0.860) 9.524 4.363 ( -8.053 0.731 -2.276) 8.400 4.749 ( 1.605 -0.205 2.041) 2.604 4.787 ( 2.680 -1.136 -1.954) 3.506 4.981 ( 5.092 -0.426 3.897) 6.426 5.042 ( 5.976 -0.647 -2.227) 6.410 5.386 ( 2.258 -0.226 1.487) 2.713 5.416 ( 2.007 -0.709 -1.170) 2.429 5.552 ( -3.197 -0.241 -0.070) 3.207 5.555 ( -4.169 -0.177 -0.181) 4.177 5.785 ( 0.563 -2.165 12.712) 12.908 5.957 ( -1.410 -0.227 -4.108) 4.350 6.053 ( 3.104 -0.041 4.524) 5.487 6.172 ( 6.028 0.968 -6.343) 8.804 6.392 ( 3.652 0.536 1.008) 3.826 6.403 ( 4.353 0.964 0.028) 4.458 ======================= Grid point 463 (154/171) ======================= q-point: (-0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -1.538 4.468 5.013) 6.889 0.773 ( -2.223 1.942 -3.780) 4.796 0.925 ( -6.356 4.071 2.408) 7.923 0.968 ( -5.705 1.350 -1.253) 5.995 1.079 ( 3.504 -4.297 1.917) 5.866 1.110 ( 1.894 -1.954 -0.783) 2.832 1.380 ( -12.241 -2.763 3.527) 13.035 1.426 ( -11.035 -2.509 -0.198) 11.318 1.560 ( -10.488 1.312 3.923) 11.274 1.625 ( -6.391 1.759 -1.689) 6.841 1.804 ( -9.818 -0.205 1.562) 9.943 1.862 ( -8.186 -0.625 -3.887) 9.083 2.055 ( -2.202 1.788 20.187) 20.386 2.242 ( 0.949 3.459 13.275) 13.751 2.383 ( -1.325 0.606 -9.542) 9.653 2.490 ( -0.977 3.694 -10.540) 11.212 2.551 ( -4.425 1.435 10.962) 11.908 2.676 ( -25.953 -0.177 0.220) 25.954 3.125 ( -28.085 -5.027 -5.621) 29.080 3.250 ( -11.517 -2.753 -15.568) 19.560 4.182 ( -5.810 -0.105 0.797) 5.865 4.208 ( -7.321 0.495 -1.896) 7.579 4.763 ( -0.054 -0.328 3.148) 3.165 4.826 ( 0.728 -1.590 -3.046) 3.512 5.058 ( 2.600 -1.327 5.367) 6.109 5.132 ( 3.044 -1.031 -1.801) 3.684 5.431 ( 1.499 -1.277 1.510) 2.482 5.450 ( 0.291 -0.788 -0.398) 0.929 5.491 ( -2.406 -1.404 1.034) 2.972 5.521 ( 0.077 -1.674 -2.269) 2.821 5.792 ( -0.749 -3.428 10.378) 10.955 5.933 ( -1.078 -0.526 -3.882) 4.063 6.125 ( 3.913 0.991 7.167) 8.225 6.271 ( 4.539 1.713 -6.362) 8.001 6.449 ( 2.502 0.851 1.579) 3.078 6.476 ( 3.711 1.574 -1.169) 4.197 ======================= Grid point 464 (155/171) ======================= q-point: (-0.21 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.000 7.666 4.273) 8.776 0.761 ( 0.000 3.141 -6.696) 7.396 0.773 ( 0.000 5.220 7.741) 9.337 0.883 ( 0.000 0.704 -3.086) 3.165 1.159 ( -0.000 -0.201 3.360) 3.366 1.190 ( -0.000 -5.031 0.900) 5.111 1.196 ( -0.000 -0.115 1.368) 1.373 1.231 ( 0.000 0.859 -1.996) 2.173 1.538 ( -0.000 -3.708 7.846) 8.678 1.635 ( 0.000 0.809 5.905) 5.960 1.654 ( 0.000 0.051 -4.457) 4.457 1.757 ( -0.000 -0.008 -5.870) 5.870 2.029 ( 0.000 2.368 20.635) 20.770 2.265 ( -0.000 -0.423 2.862) 2.893 2.287 ( 0.000 0.495 0.697) 0.856 2.352 ( 0.000 3.277 5.515) 6.415 2.416 ( 0.000 0.903 -12.223) 12.256 2.498 ( 0.000 3.906 -6.982) 8.000 2.816 ( -0.000 -4.116 18.074) 18.537 3.215 ( -0.000 -0.650 -20.950) 20.960 4.127 ( -0.000 -0.575 -0.233) 0.620 4.130 ( -0.000 -0.255 -0.497) 0.558 4.763 ( -0.000 -0.735 3.631) 3.705 4.839 ( -0.000 -2.058 -3.712) 4.244 5.091 ( -0.000 -1.480 5.405) 5.604 5.166 ( -0.000 -1.017 -1.718) 1.997 5.442 ( -0.000 -0.432 0.431) 0.610 5.447 ( -0.000 -0.345 -0.111) 0.362 5.491 ( -0.000 -3.519 2.692) 4.431 5.542 ( -0.000 -2.302 -2.813) 3.635 5.805 ( -0.000 -4.948 8.963) 10.238 5.927 ( -0.000 -1.097 -3.483) 3.651 6.161 ( 0.000 1.408 7.653) 7.782 6.307 ( 0.000 2.164 -6.129) 6.500 6.470 ( 0.000 0.932 1.830) 2.053 6.508 ( 0.000 1.531 -2.310) 2.771 ======================= Grid point 471 (156/171) ======================= q-point: (-0.71 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 2.064 0.000 1.821) 2.752 0.979 ( 3.525 0.000 -1.384) 3.787 1.162 ( -0.507 -0.000 3.361) 3.399 1.208 ( -1.553 -0.000 -1.392) 2.086 1.408 ( -5.774 -0.000 2.806) 6.419 1.455 ( -2.779 -0.000 -1.248) 3.047 1.582 ( 9.683 0.000 -0.369) 9.690 1.592 ( 10.880 0.000 -1.349) 10.964 2.095 ( -3.282 -0.000 0.141) 3.285 2.102 ( -6.059 -0.000 0.535) 6.083 2.162 ( -0.774 -0.000 4.333) 4.402 2.247 ( -2.645 -0.000 -3.903) 4.715 2.400 ( 1.626 0.000 12.993) 13.094 2.461 ( 3.098 0.000 1.742) 3.554 2.781 ( -2.612 -0.000 12.079) 12.358 2.968 ( -3.433 -0.000 1.302) 3.672 3.019 ( -2.448 -0.000 -1.734) 2.999 3.219 ( -3.561 -0.000 -23.055) 23.328 4.287 ( 1.782 0.000 2.172) 2.809 4.299 ( 2.218 0.000 0.297) 2.238 4.443 ( 2.051 0.000 0.042) 2.051 4.449 ( 1.217 0.000 -0.538) 1.330 4.764 ( -4.272 -0.000 0.211) 4.278 4.768 ( -4.143 -0.000 -0.194) 4.147 4.989 ( 0.367 0.000 1.778) 1.816 5.011 ( -0.872 -0.000 -0.560) 1.036 5.434 ( 1.333 0.000 9.545) 9.638 5.510 ( -3.086 -0.000 0.195) 3.092 5.572 ( 3.516 0.000 -1.824) 3.961 5.574 ( -1.947 -0.000 -1.866) 2.696 5.799 ( -0.088 -0.000 11.094) 11.094 6.033 ( -1.838 -0.000 -3.952) 4.358 6.066 ( -0.592 -0.000 -4.796) 4.832 6.086 ( -0.810 -0.000 -2.259) 2.400 6.279 ( -0.600 -0.000 1.320) 1.450 6.297 ( -0.297 -0.000 -0.585) 0.656 ======================= Grid point 473 (157/171) ======================= q-point: (-0.64 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.007 0.289 2.635) 2.650 1.014 ( 0.200 0.448 -1.977) 2.037 1.129 ( -2.961 -0.436 2.162) 3.693 1.156 ( -3.846 -0.300 -0.905) 3.963 1.292 ( -6.511 -0.511 4.469) 7.914 1.386 ( -4.282 -0.047 -4.101) 5.929 1.783 ( 5.497 0.961 0.091) 5.582 1.794 ( 8.514 0.276 -0.908) 8.567 1.994 ( -3.106 -0.774 6.067) 6.860 2.061 ( 1.870 -0.540 -1.741) 2.611 2.176 ( 2.097 0.094 -0.062) 2.100 2.194 ( -2.783 -0.200 -1.588) 3.211 2.399 ( -1.642 0.083 15.891) 15.976 2.509 ( 1.591 0.024 1.374) 2.102 2.727 ( -2.956 -0.171 7.195) 7.780 2.874 ( -6.689 -0.240 -0.320) 6.701 2.945 ( -5.827 -0.186 -0.569) 5.858 3.134 ( -5.172 -0.178 -20.888) 21.519 4.313 ( 0.021 -0.019 3.743) 3.743 4.351 ( 2.114 -0.243 -0.674) 2.232 4.489 ( 3.488 0.199 0.221) 3.501 4.499 ( 4.419 0.258 -0.778) 4.495 4.684 ( -3.556 -0.071 0.750) 3.635 4.698 ( -2.725 -0.173 -0.695) 2.817 4.953 ( -5.408 0.094 1.455) 5.601 4.972 ( -2.288 0.012 -0.186) 2.296 5.446 ( -3.147 0.630 1.342) 3.478 5.457 ( 0.031 0.206 3.887) 3.893 5.535 ( -0.742 0.016 4.448) 4.510 5.634 ( 2.811 -0.068 -3.451) 4.452 5.791 ( -1.054 -0.129 9.117) 9.179 5.995 ( -1.978 -0.057 -5.852) 6.177 6.051 ( -0.824 -0.104 -2.352) 2.494 6.064 ( -1.542 -0.188 -1.663) 2.276 6.271 ( -0.024 -0.043 1.286) 1.287 6.291 ( -0.208 0.005 -0.717) 0.746 ======================= Grid point 474 (158/171) ======================= q-point: (-0.57 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -2.413 -0.156 2.468) 3.455 0.987 ( -2.637 0.194 -1.448) 3.015 1.066 ( -3.818 -0.683 0.512) 3.912 1.078 ( -4.509 -0.826 -1.013) 4.694 1.177 ( -5.539 -0.769 6.005) 8.205 1.297 ( -5.103 -0.271 -5.294) 7.358 1.759 ( -5.141 1.392 1.364) 5.498 1.773 ( -5.859 -0.024 -0.034) 5.860 2.060 ( 4.510 -0.154 9.208) 10.254 2.123 ( 1.798 0.231 -1.432) 2.310 2.137 ( -2.764 0.051 3.732) 4.644 2.252 ( 3.837 -0.246 -5.071) 6.364 2.354 ( -2.817 -0.009 12.798) 13.104 2.518 ( -0.380 0.085 -1.761) 1.803 2.666 ( -4.039 -0.107 5.074) 6.486 2.715 ( -10.199 -0.746 -0.209) 10.229 2.791 ( -10.517 -0.437 2.404) 10.797 3.038 ( -4.698 -0.248 -19.582) 20.140 4.264 ( -5.430 -0.273 4.162) 6.847 4.326 ( -6.119 -0.471 -2.541) 6.643 4.569 ( 3.844 0.718 1.116) 4.066 4.593 ( 2.756 0.689 -1.073) 3.036 4.657 ( 1.456 0.208 1.497) 2.098 4.680 ( 0.730 -0.236 -0.858) 1.152 4.828 ( -5.210 -0.225 4.031) 6.592 4.908 ( -3.825 -0.361 -3.566) 5.242 5.391 ( -2.031 0.801 1.291) 2.536 5.421 ( -2.314 0.471 -1.253) 2.673 5.575 ( 3.610 0.130 8.291) 9.044 5.666 ( 0.195 0.335 -2.505) 2.535 5.757 ( -2.463 -0.491 9.442) 9.770 5.973 ( -0.050 -0.104 -8.277) 8.278 6.033 ( -1.694 -0.535 -0.041) 1.777 6.041 ( -0.150 -0.360 -1.012) 1.084 6.284 ( 1.513 -0.006 0.836) 1.729 6.297 ( 1.045 0.042 -0.409) 1.123 ======================= Grid point 475 (159/171) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -5.696 -1.487 2.621) 6.444 0.922 ( -4.494 -1.695 -1.223) 4.957 0.994 ( -3.553 0.312 0.540) 3.607 1.012 ( -2.096 -1.007 -0.933) 2.506 1.106 ( -2.569 -0.213 4.639) 5.307 1.204 ( -4.693 -0.144 -4.480) 6.490 1.627 ( -7.358 -0.049 4.248) 8.496 1.661 ( -6.145 0.684 -0.295) 6.190 2.066 ( -3.333 0.474 2.415) 4.143 2.090 ( -2.418 0.917 14.011) 14.248 2.118 ( -3.057 0.231 -2.950) 4.255 2.241 ( -6.806 -0.032 -2.968) 7.426 2.279 ( -5.662 -0.079 8.634) 10.325 2.454 ( -8.585 0.542 -4.561) 9.737 2.511 ( -13.641 -0.993 0.740) 13.697 2.554 ( -2.175 0.663 -2.594) 3.450 2.643 ( -3.394 -0.184 11.842) 12.320 2.975 ( -1.861 -0.083 -19.795) 19.883 4.079 ( -21.418 -0.739 1.127) 21.460 4.099 ( -13.163 -0.816 -0.657) 13.205 4.511 ( -7.612 0.726 1.350) 7.764 4.537 ( -7.721 1.193 -1.243) 7.911 4.702 ( 2.589 -0.208 1.209) 2.865 4.719 ( 2.805 -0.499 -0.735) 2.942 4.874 ( 6.378 0.648 1.073) 6.500 4.908 ( 4.964 -1.411 -2.238) 5.625 5.368 ( 0.039 0.629 1.261) 1.410 5.394 ( -0.175 0.185 -0.851) 0.889 5.609 ( -1.360 0.354 1.593) 2.124 5.631 ( -3.330 0.335 -0.682) 3.416 5.738 ( 1.092 -0.998 14.777) 14.851 5.977 ( -0.414 0.170 -6.615) 6.630 6.016 ( -0.090 -0.870 1.707) 1.918 6.074 ( 4.117 -0.189 -4.039) 5.771 6.329 ( 3.219 0.135 0.725) 3.303 6.336 ( 3.234 0.229 0.078) 3.243 ======================= Grid point 476 (160/171) ======================= q-point: (-0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -4.718 0.540 3.340) 5.806 0.842 ( -4.245 -1.252 -3.185) 5.452 0.962 ( -0.214 -1.863 2.630) 3.230 1.007 ( 0.541 -1.587 -1.646) 2.350 1.064 ( -1.967 1.152 2.972) 3.746 1.120 ( -4.315 0.243 -2.337) 4.913 1.497 ( -6.860 -1.260 5.338) 8.783 1.539 ( -6.255 0.076 0.056) 6.255 1.915 ( -17.121 1.214 2.823) 17.395 1.951 ( -19.297 -0.201 -0.916) 19.320 1.970 ( -7.079 0.318 0.431) 7.099 2.015 ( -8.853 -0.135 -3.274) 9.440 2.149 ( -6.305 0.564 17.181) 18.310 2.297 ( -3.504 1.769 11.684) 12.326 2.395 ( -0.869 -0.287 -6.594) 6.657 2.539 ( 0.098 2.279 -8.483) 8.784 2.602 ( -1.398 0.501 13.355) 13.437 2.955 ( -1.913 0.630 -19.832) 19.934 3.556 ( -31.941 -1.961 6.339) 32.623 3.726 ( -28.185 -2.680 -10.536) 30.209 4.339 ( -9.941 0.703 0.952) 10.012 4.369 ( -7.951 0.465 -2.069) 8.229 4.748 ( 1.784 -0.054 1.757) 2.504 4.777 ( 2.615 -0.808 -1.450) 3.097 4.977 ( 4.524 -0.385 3.962) 6.026 5.034 ( 5.777 -0.890 -1.986) 6.173 5.385 ( 1.675 -0.070 1.271) 2.104 5.410 ( 1.495 -0.612 -0.691) 1.757 5.549 ( -3.662 -0.311 0.021) 3.675 5.553 ( -4.568 -0.260 -0.167) 4.579 5.769 ( 0.441 -1.153 13.489) 13.545 5.957 ( -1.311 0.256 -4.745) 4.929 6.051 ( 3.596 -0.340 5.097) 6.247 6.180 ( 6.362 0.550 -6.645) 9.215 6.397 ( 3.808 0.412 1.254) 4.030 6.411 ( 4.709 0.785 -0.140) 4.776 ======================= Grid point 477 (161/171) ======================= q-point: (-0.36 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 0.944 4.647 2.409) 5.319 0.789 ( -1.088 1.337 -4.077) 4.426 0.963 ( -4.254 3.328 2.142) 5.811 0.981 ( -4.964 1.237 0.392) 5.131 1.039 ( 2.343 -3.213 2.734) 4.826 1.087 ( 1.908 -2.731 -1.736) 3.757 1.351 ( -11.283 -2.989 4.399) 12.474 1.406 ( -10.378 -1.421 -0.579) 10.491 1.575 ( -11.999 1.645 3.913) 12.728 1.642 ( -7.277 1.492 -1.321) 7.545 1.804 ( -9.377 0.227 0.552) 9.396 1.856 ( -8.041 -0.520 -4.043) 9.015 2.069 ( -2.124 1.057 20.149) 20.288 2.275 ( 0.997 3.156 13.939) 14.327 2.389 ( -0.755 0.544 -9.674) 9.719 2.521 ( -2.479 2.534 -10.013) 10.622 2.564 ( -4.044 1.225 11.142) 11.917 2.676 ( -25.798 0.078 1.334) 25.832 3.078 ( -31.282 -4.187 -4.716) 31.911 3.222 ( -7.258 -2.750 -16.404) 18.147 4.182 ( -6.223 -0.053 1.082) 6.317 4.213 ( -7.747 0.441 -2.146) 8.050 4.762 ( -0.101 0.119 2.774) 2.778 4.812 ( 0.511 -1.204 -2.094) 2.469 5.044 ( 2.189 -1.457 5.883) 6.444 5.118 ( 2.607 -1.620 -1.515) 3.423 5.420 ( 1.446 -0.952 1.473) 2.273 5.441 ( 0.751 -0.931 -0.509) 1.300 5.479 ( -3.135 -0.999 0.778) 3.381 5.504 ( -1.066 -1.680 -2.072) 2.873 5.767 ( -0.861 -1.743 11.548) 11.711 5.932 ( -1.049 0.208 -4.728) 4.847 6.132 ( 4.081 0.409 7.660) 8.689 6.284 ( 4.519 0.973 -6.289) 7.805 6.457 ( 2.597 0.730 1.952) 3.330 6.491 ( 3.906 1.494 -1.647) 4.494 ======================= Grid point 478 (162/171) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.000 7.576 1.492) 7.721 0.795 ( 0.000 3.638 -5.809) 6.854 0.823 ( 0.000 4.546 5.491) 7.129 0.893 ( 0.000 1.604 -1.404) 2.132 1.136 ( -0.000 -5.477 3.065) 6.276 1.152 ( -0.000 -1.455 0.976) 1.752 1.192 ( -0.000 -0.789 2.099) 2.243 1.241 ( 0.000 0.980 -2.475) 2.662 1.509 ( -0.000 -1.990 8.947) 9.166 1.643 ( 0.000 0.830 5.366) 5.430 1.657 ( 0.000 0.403 -5.795) 5.809 1.757 ( 0.000 0.010 -5.589) 5.589 2.048 ( 0.000 1.377 20.387) 20.434 2.261 ( -0.000 -0.410 3.376) 3.400 2.292 ( 0.000 0.512 0.319) 0.603 2.382 ( 0.000 2.622 1.634) 3.090 2.424 ( 0.000 0.941 -7.363) 7.423 2.537 ( 0.000 3.771 -7.279) 8.198 2.776 ( -0.000 -3.862 20.409) 20.771 3.209 ( -0.000 -0.610 -21.888) 21.896 4.121 ( -0.000 -0.581 -0.096) 0.589 4.127 ( -0.000 -0.250 -0.676) 0.721 4.758 ( -0.000 -0.221 3.310) 3.318 4.820 ( -0.000 -1.703 -2.541) 3.059 5.074 ( -0.000 -1.825 6.068) 6.336 5.152 ( -0.000 -1.845 -1.332) 2.276 5.438 ( -0.000 -0.426 0.449) 0.619 5.444 ( -0.000 -0.354 -0.170) 0.392 5.459 ( -0.000 -2.740 2.710) 3.854 5.516 ( -0.000 -2.940 -3.146) 4.306 5.768 ( -0.000 -2.603 10.648) 10.961 5.921 ( -0.000 -0.085 -4.535) 4.535 6.172 ( 0.000 0.786 8.191) 8.228 6.324 ( 0.000 1.214 -5.808) 5.933 6.479 ( 0.000 0.891 2.166) 2.342 6.524 ( 0.000 1.687 -2.816) 3.283 ======================= Grid point 487 (163/171) ======================= q-point: (-0.64 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -2.845 -0.000 2.600) 3.854 0.988 ( -3.000 -0.000 -1.469) 3.340 1.063 ( -3.500 -0.000 0.457) 3.529 1.074 ( -4.460 -0.000 -1.056) 4.583 1.173 ( -5.409 -0.000 6.128) 8.174 1.295 ( -5.090 -0.000 -5.394) 7.416 1.769 ( -6.933 -0.000 1.212) 7.038 1.770 ( -4.454 -0.000 0.249) 4.461 2.059 ( 4.931 0.000 9.201) 10.439 2.124 ( 2.202 0.000 -1.590) 2.716 2.137 ( -3.020 -0.000 3.830) 4.877 2.250 ( 3.998 0.000 -5.110) 6.489 2.354 ( -2.879 -0.000 12.908) 13.225 2.519 ( -0.293 -0.000 -1.700) 1.725 2.666 ( -3.852 -0.000 4.953) 6.275 2.712 ( -10.370 -0.000 -0.280) 10.373 2.789 ( -10.506 -0.000 2.443) 10.786 3.037 ( -4.660 -0.000 -19.604) 20.150 4.262 ( -5.507 -0.000 4.097) 6.864 4.324 ( -6.126 -0.000 -2.511) 6.621 4.572 ( 3.999 0.000 1.117) 4.152 4.597 ( 2.826 0.000 -1.032) 3.009 4.659 ( 1.515 0.000 1.376) 2.046 4.679 ( 0.746 0.000 -0.733) 1.046 4.827 ( -5.310 -0.000 4.005) 6.651 4.906 ( -4.025 -0.000 -3.533) 5.355 5.395 ( -2.118 -0.000 1.227) 2.448 5.423 ( -2.394 -0.000 -1.099) 2.634 5.575 ( 3.705 0.000 8.360) 9.144 5.668 ( 0.268 0.000 -2.620) 2.634 5.754 ( -2.574 -0.000 9.593) 9.933 5.972 ( -0.002 -0.000 -8.334) 8.334 6.030 ( -1.762 -0.000 0.029) 1.763 6.040 ( -0.142 -0.000 -1.089) 1.098 6.284 ( 1.537 0.000 0.844) 1.753 6.297 ( 1.062 0.000 -0.425) 1.143 ======================= Grid point 489 (164/171) ======================= q-point: (-0.57 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -5.392 -0.544 2.359) 5.911 0.909 ( -5.091 -0.715 -1.076) 5.252 0.996 ( -3.562 0.113 -0.701) 3.632 1.005 ( -2.369 -0.386 -0.854) 2.548 1.106 ( -1.909 0.084 5.276) 5.611 1.203 ( -4.613 -0.080 -4.077) 6.157 1.626 ( -7.715 -0.038 4.686) 9.027 1.666 ( -6.217 0.236 -0.396) 6.234 2.069 ( -3.401 0.169 2.529) 4.242 2.096 ( -2.153 0.366 13.832) 14.003 2.120 ( -3.211 0.077 -2.764) 4.237 2.241 ( -6.938 -0.033 -2.809) 7.485 2.278 ( -5.562 -0.060 8.460) 10.125 2.459 ( -7.919 0.352 -5.647) 9.732 2.503 ( -14.075 -0.482 1.827) 14.201 2.559 ( -1.485 0.283 -3.270) 3.603 2.642 ( -3.186 -0.100 12.242) 12.650 2.974 ( -1.735 -0.037 -19.774) 19.850 4.074 ( -21.539 -0.262 1.035) 21.566 4.094 ( -13.383 -0.294 -0.711) 13.405 4.516 ( -7.768 0.261 1.570) 7.929 4.545 ( -8.082 0.449 -1.347) 8.206 4.700 ( 2.559 -0.079 1.204) 2.829 4.715 ( 2.718 -0.180 -0.569) 2.783 4.882 ( 6.728 0.926 -0.033) 6.792 4.894 ( 4.794 -1.228 -1.201) 5.093 5.373 ( -0.174 0.227 1.159) 1.193 5.395 ( -0.397 0.054 -0.542) 0.674 5.611 ( -1.570 0.123 1.510) 2.182 5.634 ( -3.561 0.121 -0.840) 3.661 5.731 ( 1.284 -0.330 15.376) 15.433 5.979 ( -0.265 0.160 -7.228) 7.235 6.009 ( -0.086 -0.399 2.328) 2.363 6.073 ( 4.358 -0.079 -4.249) 6.087 6.330 ( 3.279 0.047 0.774) 3.369 6.338 ( 3.334 0.080 0.069) 3.335 ======================= Grid point 490 (165/171) ======================= q-point: (-0.50 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -3.098 0.705 1.731) 3.618 0.827 ( -3.664 -1.593 -2.322) 4.621 0.951 ( -0.958 -0.501 1.640) 1.964 0.991 ( 0.473 -1.350 -1.682) 2.208 1.078 ( -1.261 1.367 2.803) 3.364 1.121 ( -4.350 -0.107 -1.352) 4.557 1.486 ( -7.534 -0.825 6.243) 9.819 1.540 ( -6.878 0.055 -0.153) 6.880 1.926 ( -16.559 0.856 2.311) 16.742 1.947 ( -18.926 -0.449 -0.001) 18.931 1.975 ( -7.331 0.500 -0.148) 7.349 2.013 ( -9.206 -0.142 -3.306) 9.783 2.153 ( -6.209 0.222 16.689) 17.808 2.312 ( -2.909 1.097 12.918) 13.287 2.393 ( -0.445 -0.203 -7.166) 7.182 2.557 ( 0.384 1.312 -8.814) 8.919 2.605 ( -1.183 0.176 13.705) 13.757 2.960 ( -1.443 0.364 -19.892) 19.948 3.540 ( -32.506 -1.089 6.116) 33.095 3.705 ( -29.372 -1.526 -10.241) 31.143 4.345 ( -10.377 0.445 0.915) 10.426 4.373 ( -7.786 0.200 -1.841) 8.003 4.747 ( 2.002 0.023 1.594) 2.559 4.771 ( 2.590 -0.407 -1.056) 2.826 4.974 ( 4.060 -0.205 3.886) 5.624 5.026 ( 5.570 -0.682 -1.742) 5.876 5.384 ( 1.349 0.012 1.043) 1.705 5.405 ( 1.133 -0.351 -0.255) 1.213 5.546 ( -3.988 -0.219 0.093) 3.995 5.550 ( -4.831 -0.190 -0.153) 4.837 5.761 ( 0.448 -0.438 13.878) 13.892 5.960 ( -1.251 0.338 -5.350) 5.504 6.048 ( 3.943 -0.338 5.691) 6.932 6.184 ( 6.542 0.237 -6.843) 9.470 6.400 ( 3.914 0.224 1.434) 4.174 6.418 ( 4.968 0.439 -0.252) 4.994 ======================= Grid point 491 (166/171) ======================= q-point: (-0.43 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 2.688 3.706 0.297) 4.587 0.799 ( 0.341 0.448 -3.191) 3.241 0.978 ( 2.704 -0.847 3.117) 4.212 0.992 ( -5.271 1.453 1.272) 5.614 1.030 ( -2.887 1.464 0.808) 3.336 1.058 ( 1.273 -2.988 -1.700) 3.666 1.323 ( -11.166 -2.476 5.639) 12.751 1.396 ( -9.803 -0.643 -1.325) 9.913 1.590 ( -12.485 1.323 3.841) 13.129 1.654 ( -7.685 0.946 -0.866) 7.791 1.808 ( -9.213 0.425 -0.391) 9.231 1.852 ( -7.932 -0.444 -3.961) 8.877 2.077 ( -2.116 0.512 20.130) 20.247 2.302 ( 0.953 2.172 14.409) 14.603 2.394 ( -0.229 0.386 -9.938) 9.948 2.540 ( -5.102 1.201 -9.162) 10.555 2.575 ( -3.441 0.879 11.592) 12.124 2.678 ( -24.655 0.270 1.744) 24.718 3.043 ( -34.009 -2.721 -4.141) 34.368 3.197 ( -3.591 -2.018 -17.099) 17.589 4.181 ( -6.583 -0.018 1.299) 6.710 4.217 ( -8.055 0.301 -2.316) 8.387 4.765 ( 0.026 0.471 2.416) 2.461 4.802 ( 0.326 -0.806 -1.048) 1.362 5.031 ( 1.794 -1.151 6.025) 6.391 5.102 ( 2.168 -1.580 -1.253) 2.961 5.413 ( 1.305 -0.400 0.951) 1.663 5.432 ( 1.060 -0.870 -0.487) 1.455 5.471 ( -3.364 -0.596 0.548) 3.460 5.490 ( -2.007 -1.157 -1.696) 2.871 5.756 ( -0.802 -0.674 12.191) 12.236 5.936 ( -0.984 0.473 -5.351) 5.461 6.134 ( 4.202 0.047 8.098) 9.124 6.291 ( 4.461 0.461 -6.230) 7.676 6.463 ( 2.676 0.498 2.305) 3.567 6.504 ( 4.077 1.058 -1.972) 4.651 ======================= Grid point 492 (167/171) ======================= q-point: (-0.36 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.000 6.154 -0.067) 6.154 0.832 ( 0.000 3.721 -4.603) 5.919 0.857 ( 0.000 2.172 4.448) 4.950 0.917 ( 0.000 3.140 -1.255) 3.382 1.086 ( -0.000 -4.454 4.165) 6.098 1.130 ( -0.000 -2.923 -0.887) 3.054 1.181 ( -0.000 -1.241 3.375) 3.595 1.250 ( 0.000 0.806 -2.984) 3.091 1.499 ( -0.000 -0.120 9.033) 9.033 1.651 ( 0.000 0.677 4.893) 4.940 1.660 ( 0.000 0.099 -6.349) 6.350 1.758 ( 0.000 0.020 -5.330) 5.330 2.057 ( 0.000 0.605 20.139) 20.148 2.257 ( -0.000 -0.319 3.837) 3.850 2.297 ( 0.000 0.424 -0.028) 0.425 2.400 ( 0.000 0.991 -6.936) 7.006 2.438 ( 0.000 1.695 1.664) 2.375 2.570 ( 0.000 2.707 -7.244) 7.734 2.742 ( -0.000 -2.904 22.551) 22.737 3.204 ( -0.000 -0.425 -22.580) 22.584 4.116 ( -0.000 -0.469 0.030) 0.470 4.125 ( -0.000 -0.199 -0.841) 0.864 4.759 ( 0.000 0.415 3.013) 3.042 4.806 ( -0.000 -1.239 -1.126) 1.674 5.056 ( -0.000 -1.726 6.269) 6.502 5.131 ( -0.000 -2.158 -0.974) 2.368 5.434 ( -0.000 -0.340 0.462) 0.573 5.438 ( -0.000 -1.470 1.760) 2.293 5.441 ( -0.000 -0.289 -0.218) 0.362 5.486 ( -0.000 -2.746 -2.978) 4.051 5.751 ( -0.000 -1.034 11.552) 11.598 5.923 ( 0.000 0.480 -5.273) 5.295 6.177 ( 0.000 0.267 8.617) 8.621 6.332 ( 0.000 0.583 -5.569) 5.600 6.487 ( 0.000 0.700 2.590) 2.683 6.540 ( 0.000 1.429 -3.155) 3.464 ======================= Grid point 503 (168/171) ======================= q-point: (-0.57 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -2.376 -0.000 0.890) 2.537 0.817 ( -3.578 -0.000 -1.590) 3.916 0.949 ( -1.209 -0.000 1.046) 1.599 0.984 ( 0.380 0.000 -1.521) 1.567 1.086 ( -0.895 -0.000 2.439) 2.598 1.120 ( -4.419 -0.000 -0.833) 4.497 1.482 ( -7.812 -0.000 6.607) 10.232 1.540 ( -7.074 -0.000 -0.244) 7.078 1.931 ( -15.742 -0.000 2.082) 15.879 1.944 ( -19.411 -0.000 0.242) 19.412 1.978 ( -7.412 -0.000 -0.204) 7.415 2.012 ( -9.316 -0.000 -3.301) 9.883 2.154 ( -6.175 -0.000 16.514) 17.631 2.317 ( -2.758 -0.000 13.454) 13.733 2.392 ( -0.260 -0.000 -7.489) 7.493 2.564 ( 0.460 0.000 -9.220) 9.231 2.606 ( -1.099 -0.000 14.117) 14.160 2.962 ( -1.251 -0.000 -19.919) 19.959 3.535 ( -32.705 -0.000 6.031) 33.257 3.697 ( -29.816 -0.000 -10.131) 31.490 4.347 ( -10.570 -0.000 0.877) 10.606 4.374 ( -7.689 -0.000 -1.738) 7.883 4.748 ( 2.107 0.000 1.543) 2.611 4.769 ( 2.578 0.000 -0.905) 2.732 4.973 ( 3.874 0.000 3.828) 5.446 5.022 ( 5.487 0.000 -1.635) 5.725 5.385 ( 1.252 0.000 0.937) 1.564 5.403 ( 0.999 0.000 -0.072) 1.001 5.545 ( -4.101 -0.000 0.121) 4.103 5.549 ( -4.921 -0.000 -0.148) 4.924 5.759 ( 0.460 0.000 13.992) 14.000 5.962 ( -1.245 -0.000 -5.641) 5.776 6.046 ( 4.083 0.000 5.985) 7.245 6.185 ( 6.599 0.000 -6.914) 9.558 6.401 ( 3.952 0.000 1.500) 4.227 6.420 ( 5.062 0.000 -0.291) 5.071 ======================= Grid point 505 (169/171) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 3.118 1.946 -1.033) 3.818 0.798 ( 1.963 -0.487 -1.955) 2.813 0.967 ( 3.251 -0.648 3.401) 4.749 1.009 ( -2.992 1.804 0.743) 3.572 1.030 ( -0.862 -2.487 -0.516) 2.683 1.047 ( -3.461 1.115 -0.938) 3.756 1.305 ( -11.301 -1.032 6.763) 13.210 1.392 ( -9.441 -0.175 -1.877) 9.627 1.600 ( -12.567 0.504 3.762) 13.128 1.660 ( -7.835 0.317 -0.568) 7.862 1.811 ( -9.254 0.230 -1.015) 9.313 1.848 ( -7.844 -0.206 -3.802) 8.719 2.080 ( -2.137 0.145 20.134) 20.248 2.317 ( 0.906 0.769 14.605) 14.653 2.396 ( 0.087 0.141 -10.116) 10.118 2.547 ( -7.144 0.307 -8.349) 10.992 2.581 ( -3.003 0.328 11.919) 12.295 2.680 ( -23.564 0.150 1.682) 23.625 3.025 ( -35.676 -0.934 -3.866) 35.897 3.183 ( -1.375 -0.742 -17.529) 17.598 4.181 ( -6.791 -0.003 1.417) 6.937 4.219 ( -8.215 0.106 -2.399) 8.558 4.770 ( 0.269 0.333 2.078) 2.122 4.796 ( 0.116 -0.360 -0.200) 0.428 5.023 ( 1.561 -0.429 5.927) 6.144 5.090 ( 1.884 -0.676 -1.115) 2.291 5.411 ( 1.275 -0.042 0.371) 1.329 5.425 ( 1.100 -0.405 -0.284) 1.206 5.467 ( -3.424 -0.200 0.430) 3.457 5.482 ( -2.444 -0.397 -1.427) 2.858 5.752 ( -0.744 -0.156 12.489) 12.513 5.940 ( -0.945 0.232 -5.706) 5.788 6.134 ( 4.270 -0.030 8.382) 9.407 6.294 ( 4.420 0.131 -6.212) 7.625 6.467 ( 2.722 0.178 2.516) 3.711 6.512 ( 4.176 0.381 -2.128) 4.702 ======================= Grid point 506 (170/171) ======================= q-point: (-0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.000 3.565 -0.395) 3.587 0.865 ( 0.000 2.648 -3.602) 4.471 0.870 ( 0.000 0.698 4.720) 4.771 0.948 ( 0.000 2.553 -2.731) 3.738 1.052 ( -0.000 -2.041 3.864) 4.370 1.098 ( -0.000 -3.133 -1.155) 3.339 1.169 ( -0.000 -1.061 4.929) 5.042 1.256 ( 0.000 0.445 -3.358) 3.388 1.502 ( 0.000 0.605 8.000) 8.023 1.656 ( 0.000 0.380 4.574) 4.589 1.659 ( -0.000 -0.199 -6.322) 6.325 1.758 ( 0.000 0.015 -5.148) 5.148 2.061 ( 0.000 0.181 20.020) 20.021 2.255 ( -0.000 -0.173 4.156) 4.160 2.300 ( 0.000 0.241 -0.270) 0.362 2.405 ( 0.000 0.231 -11.164) 11.167 2.453 ( 0.000 1.223 5.989) 6.113 2.590 ( 0.000 1.365 -7.143) 7.272 2.719 ( -0.000 -1.534 24.083) 24.132 3.201 ( -0.000 -0.202 -22.977) 22.978 4.112 ( -0.000 -0.261 0.119) 0.287 4.123 ( -0.000 -0.110 -0.955) 0.961 4.765 ( 0.000 0.776 2.589) 2.703 4.795 ( -0.000 -0.923 0.380) 0.998 5.042 ( -0.000 -1.009 5.969) 6.053 5.112 ( -0.000 -1.527 -0.803) 1.725 5.429 ( -0.000 -0.472 0.675) 0.824 5.431 ( -0.000 -0.188 0.468) 0.504 5.438 ( -0.000 -0.162 -0.249) 0.297 5.464 ( -0.000 -1.705 -2.498) 3.024 5.745 ( -0.000 -0.291 12.034) 12.038 5.928 ( 0.000 0.448 -5.730) 5.747 6.178 ( 0.000 0.019 8.923) 8.923 6.336 ( 0.000 0.217 -5.464) 5.468 6.492 ( 0.000 0.390 2.929) 2.955 6.552 ( 0.000 0.812 -3.332) 3.429 ======================= Grid point 520 (171/171) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.000 0.000 -0.202) 0.202 0.873 ( 0.000 0.000 4.963) 4.963 0.879 ( 0.000 0.000 -3.165) 3.165 0.962 ( 0.000 0.000 -3.669) 3.669 1.044 ( 0.000 0.000 3.053) 3.053 1.079 ( 0.000 0.000 -0.732) 0.732 1.163 ( 0.000 0.000 5.763) 5.763 1.258 ( 0.000 0.000 -3.495) 3.495 1.506 ( 0.000 0.000 7.341) 7.341 1.658 ( 0.000 0.000 -6.200) 6.200 1.658 ( 0.000 0.000 4.462) 4.462 1.758 ( 0.000 0.000 -5.082) 5.082 2.062 ( 0.000 0.000 19.996) 19.996 2.254 ( 0.000 0.000 4.270) 4.270 2.302 ( 0.000 0.000 -0.357) 0.357 2.406 ( 0.000 0.000 -12.010) 12.010 2.459 ( 0.000 0.000 6.821) 6.821 2.597 ( 0.000 0.000 -7.096) 7.096 2.712 ( 0.000 0.000 24.645) 24.645 3.200 ( 0.000 0.000 -23.103) 23.103 4.111 ( 0.000 0.000 0.151) 0.151 4.123 ( 0.000 0.000 -0.996) 0.996 4.771 ( 0.000 0.000 2.132) 2.132 4.789 ( 0.000 0.000 1.315) 1.315 5.037 ( 0.000 0.000 5.722) 5.722 5.104 ( 0.000 0.000 -0.758) 0.758 5.427 ( 0.000 0.000 0.174) 0.174 5.430 ( 0.000 0.000 0.470) 0.470 5.438 ( 0.000 0.000 -0.259) 0.259 5.455 ( 0.000 0.000 -2.198) 2.198 5.743 ( 0.000 0.000 12.193) 12.193 5.931 ( 0.000 0.000 -5.891) 5.891 6.178 ( 0.000 0.000 9.041) 9.041 6.337 ( 0.000 0.000 -5.439) 5.439 6.494 ( 0.000 0.000 3.057) 3.057 6.556 ( 0.000 0.000 -3.385) 3.385 =================== 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 3/35280 10.0 37.780 31.489 25.274 0.000 0.000 0.000 3/35280 20.0 13.021 6.490 8.412 0.000 0.000 0.000 3/35280 30.0 8.693 3.328 5.926 0.000 0.000 0.000 3/35280 40.0 6.855 2.235 4.817 0.000 0.000 0.000 3/35280 50.0 5.694 1.689 4.049 0.000 0.000 0.000 3/35280 60.0 4.864 1.363 3.476 0.000 0.000 0.000 3/35280 70.0 4.238 1.145 3.038 0.000 0.000 0.000 3/35280 80.0 3.752 0.989 2.695 0.000 0.000 0.000 3/35280 90.0 3.363 0.871 2.421 0.000 0.000 0.000 3/35280 100.0 3.047 0.780 2.197 0.000 0.000 0.000 3/35280 110.0 2.784 0.706 2.011 0.000 0.000 0.000 3/35280 120.0 2.562 0.645 1.854 0.000 0.000 0.000 3/35280 130.0 2.373 0.594 1.719 0.000 0.000 0.000 3/35280 140.0 2.210 0.551 1.603 0.000 0.000 0.000 3/35280 150.0 2.068 0.513 1.501 0.000 0.000 0.000 3/35280 160.0 1.942 0.481 1.412 0.000 0.000 0.000 3/35280 170.0 1.831 0.452 1.332 0.000 0.000 0.000 3/35280 180.0 1.732 0.427 1.261 0.000 0.000 0.000 3/35280 190.0 1.643 0.404 1.197 0.000 0.000 0.000 3/35280 200.0 1.563 0.384 1.139 0.000 0.000 0.000 3/35280 210.0 1.490 0.365 1.087 0.000 0.000 0.000 3/35280 220.0 1.424 0.349 1.039 0.000 0.000 0.000 3/35280 230.0 1.363 0.333 0.995 0.000 0.000 0.000 3/35280 240.0 1.307 0.319 0.955 0.000 0.000 0.000 3/35280 250.0 1.256 0.307 0.917 0.000 0.000 0.000 3/35280 260.0 1.208 0.295 0.883 0.000 0.000 0.000 3/35280 270.0 1.164 0.284 0.851 0.000 0.000 0.000 3/35280 280.0 1.123 0.274 0.821 0.000 0.000 0.000 3/35280 290.0 1.085 0.264 0.794 0.000 0.000 0.000 3/35280 300.0 1.050 0.255 0.768 0.000 0.000 0.000 3/35280 310.0 1.016 0.247 0.743 0.000 0.000 0.000 3/35280 320.0 0.985 0.239 0.721 0.000 0.000 0.000 3/35280 330.0 0.955 0.232 0.699 0.000 0.000 0.000 3/35280 340.0 0.928 0.225 0.679 0.000 0.000 0.000 3/35280 350.0 0.901 0.219 0.660 0.000 0.000 0.000 3/35280 360.0 0.877 0.213 0.642 0.000 0.000 0.000 3/35280 370.0 0.853 0.207 0.625 0.000 0.000 0.000 3/35280 380.0 0.831 0.202 0.609 0.000 0.000 0.000 3/35280 390.0 0.810 0.196 0.593 0.000 0.000 0.000 3/35280 400.0 0.790 0.192 0.579 0.000 0.000 0.000 3/35280 410.0 0.771 0.187 0.565 0.000 0.000 0.000 3/35280 420.0 0.752 0.182 0.551 0.000 0.000 0.000 3/35280 430.0 0.735 0.178 0.539 0.000 0.000 0.000 3/35280 440.0 0.719 0.174 0.527 0.000 0.000 0.000 3/35280 450.0 0.703 0.170 0.515 0.000 0.000 0.000 3/35280 460.0 0.688 0.167 0.504 0.000 0.000 0.000 3/35280 470.0 0.673 0.163 0.493 0.000 0.000 0.000 3/35280 480.0 0.659 0.160 0.483 0.000 0.000 0.000 3/35280 490.0 0.646 0.156 0.473 0.000 0.000 0.000 3/35280 500.0 0.633 0.153 0.464 0.000 0.000 0.000 3/35280 510.0 0.621 0.150 0.455 0.000 0.000 0.000 3/35280 520.0 0.609 0.147 0.446 0.000 0.000 0.000 3/35280 530.0 0.597 0.145 0.438 0.000 0.000 0.000 3/35280 540.0 0.586 0.142 0.430 0.000 0.000 0.000 3/35280 550.0 0.576 0.139 0.422 0.000 0.000 0.000 3/35280 560.0 0.566 0.137 0.415 0.000 0.000 0.000 3/35280 570.0 0.556 0.134 0.408 0.000 0.000 0.000 3/35280 580.0 0.546 0.132 0.401 0.000 0.000 0.000 3/35280 590.0 0.537 0.130 0.394 0.000 0.000 0.000 3/35280 600.0 0.528 0.128 0.387 0.000 0.000 0.000 3/35280 610.0 0.519 0.126 0.381 0.000 0.000 0.000 3/35280 620.0 0.511 0.124 0.375 0.000 0.000 0.000 3/35280 630.0 0.503 0.122 0.369 0.000 0.000 0.000 3/35280 640.0 0.495 0.120 0.363 0.000 0.000 0.000 3/35280 650.0 0.488 0.118 0.358 0.000 0.000 0.000 3/35280 660.0 0.480 0.116 0.352 0.000 0.000 0.000 3/35280 670.0 0.473 0.114 0.347 0.000 0.000 0.000 3/35280 680.0 0.466 0.113 0.342 0.000 0.000 0.000 3/35280 690.0 0.460 0.111 0.337 0.000 0.000 0.000 3/35280 700.0 0.453 0.110 0.332 0.000 0.000 0.000 3/35280 710.0 0.447 0.108 0.328 0.000 0.000 0.000 3/35280 720.0 0.440 0.106 0.323 0.000 0.000 0.000 3/35280 730.0 0.434 0.105 0.319 0.000 0.000 0.000 3/35280 740.0 0.429 0.104 0.315 0.000 0.000 0.000 3/35280 750.0 0.423 0.102 0.310 0.000 0.000 0.000 3/35280 760.0 0.417 0.101 0.306 0.000 0.000 0.000 3/35280 770.0 0.412 0.100 0.302 0.000 0.000 0.000 3/35280 780.0 0.407 0.098 0.299 0.000 0.000 0.000 3/35280 790.0 0.402 0.097 0.295 0.000 0.000 0.000 3/35280 800.0 0.397 0.096 0.291 0.000 0.000 0.000 3/35280 810.0 0.392 0.095 0.288 0.000 0.000 0.000 3/35280 820.0 0.387 0.093 0.284 0.000 0.000 0.000 3/35280 830.0 0.382 0.092 0.281 0.000 0.000 0.000 3/35280 840.0 0.378 0.091 0.277 0.000 0.000 0.000 3/35280 850.0 0.373 0.090 0.274 0.000 0.000 0.000 3/35280 860.0 0.369 0.089 0.271 0.000 0.000 0.000 3/35280 870.0 0.365 0.088 0.268 0.000 0.000 0.000 3/35280 880.0 0.361 0.087 0.265 0.000 0.000 0.000 3/35280 890.0 0.357 0.086 0.262 0.000 0.000 0.000 3/35280 900.0 0.353 0.085 0.259 0.000 0.000 0.000 3/35280 910.0 0.349 0.084 0.256 0.000 0.000 0.000 3/35280 920.0 0.345 0.083 0.253 0.000 0.000 0.000 3/35280 930.0 0.341 0.082 0.251 0.000 0.000 0.000 3/35280 940.0 0.338 0.082 0.248 0.000 0.000 0.000 3/35280 950.0 0.334 0.081 0.245 0.000 0.000 0.000 3/35280 960.0 0.331 0.080 0.243 0.000 0.000 0.000 3/35280 970.0 0.327 0.079 0.240 0.000 0.000 0.000 3/35280 980.0 0.324 0.078 0.238 0.000 0.000 0.000 3/35280 990.0 0.321 0.077 0.236 0.000 0.000 0.000 3/35280 1000.0 0.318 0.077 0.233 0.000 0.000 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m14145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:22:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|