----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:15:48]------------------------- 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 2.037457465000000 -7.900674125000002 0.000000000000000 b 2.037457465000000 7.900674125000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.724088920000002 Atomic positions (fractional): *1 Zn 0.96245634930458 0.03754365069542 0.25000000000000 65.380 2 Zn 0.03754365069542 0.96245634930458 0.75000000000000 65.380 *3 Se 0.55714023290110 0.44285976709890 0.25000000000000 78.960 4 Se 0.44285976709890 0.55714023290110 0.75000000000000 78.960 *5 Se 0.11756861648470 0.88243138351530 0.94277406545265 78.960 6 Se 0.88243138351530 0.11756861648470 0.05722593454735 78.960 7 Se 0.88243138351530 0.11756861648470 0.44277406545265 78.960 8 Se 0.11756861648470 0.88243138351530 0.55722593454735 78.960 *9 Cs 0.24389969594626 0.75610030405374 0.25000000000000 132.905 10 Cs 0.75610030405374 0.24389969594626 0.75000000000000 132.905 *11 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 12 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.074914930000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.801348250000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.724088920000002 Atomic positions (fractional): *1 Zn 0.00000000000000 0.03754365069542 0.25000000000000 65.380 > 1 2 Zn 0.50000000000000 0.46245634930458 0.75000000000000 65.380 > 2 3 Zn 0.50000000000000 0.53754365069542 0.25000000000000 65.380 > 1 4 Zn 0.00000000000000 0.96245634930458 0.75000000000000 65.380 > 2 *5 Se 0.00000000000000 0.44285976709890 0.25000000000000 78.960 > 3 6 Se 0.50000000000000 0.05714023290110 0.75000000000000 78.960 > 4 *7 Se 0.50000000000000 0.38243138351530 0.94277406545265 78.960 > 5 8 Se 0.00000000000000 0.11756861648470 0.05722593454735 78.960 > 6 9 Se 0.00000000000000 0.11756861648470 0.44277406545265 78.960 > 7 10 Se 0.50000000000000 0.38243138351530 0.55722593454735 78.960 > 8 11 Se 0.50000000000000 0.94285976709890 0.25000000000000 78.960 > 3 12 Se 0.00000000000000 0.55714023290110 0.75000000000000 78.960 > 4 13 Se 0.00000000000000 0.88243138351530 0.94277406545265 78.960 > 5 14 Se 0.50000000000000 0.61756861648470 0.05722593454735 78.960 > 6 15 Se 0.50000000000000 0.61756861648470 0.44277406545265 78.960 > 7 16 Se 0.00000000000000 0.88243138351530 0.55722593454735 78.960 > 8 *17 Cs 0.50000000000000 0.25610030405374 0.25000000000000 132.905 > 9 18 Cs 0.00000000000000 0.24389969594626 0.75000000000000 132.905 > 10 19 Cs 0.00000000000000 0.75610030405374 0.25000000000000 132.905 > 9 20 Cs 0.50000000000000 0.74389969594626 0.75000000000000 132.905 > 10 *21 Er 0.50000000000000 0.00000000000000 0.50000000000000 167.259 > 11 22 Er 0.50000000000000 0.00000000000000 0.00000000000000 167.259 > 12 23 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 > 11 24 Er 0.00000000000000 0.50000000000000 0.00000000000000 167.259 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.224744790000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.801348250000004 0.000000000000000 c 0.000000000000000 0.000000000000000 21.448177840000003 Atomic positions (fractional): *1 Zn 0.00000000000000 0.03754365069542 0.12500000000000 65.380 > 1 2 Zn 0.33333333333333 0.03754365069542 0.12500000000000 65.380 > 1 3 Zn 0.66666666666667 0.03754365069542 0.12500000000000 65.380 > 1 4 Zn 0.00000000000000 0.03754365069542 0.62500000000000 65.380 > 1 5 Zn 0.33333333333333 0.03754365069542 0.62500000000000 65.380 > 1 6 Zn 0.66666666666667 0.03754365069542 0.62500000000000 65.380 > 1 7 Zn 0.16666666666667 0.46245634930458 0.37500000000000 65.380 > 2 8 Zn 0.50000000000000 0.46245634930458 0.37500000000000 65.380 > 2 9 Zn 0.83333333333333 0.46245634930458 0.37500000000000 65.380 > 2 10 Zn 0.16666666666667 0.46245634930458 0.87500000000000 65.380 > 2 11 Zn 0.50000000000000 0.46245634930458 0.87500000000000 65.380 > 2 12 Zn 0.83333333333333 0.46245634930458 0.87500000000000 65.380 > 2 13 Zn 0.16666666666667 0.53754365069542 0.12500000000000 65.380 > 1 14 Zn 0.50000000000000 0.53754365069542 0.12500000000000 65.380 > 1 15 Zn 0.83333333333333 0.53754365069542 0.12500000000000 65.380 > 1 16 Zn 0.16666666666667 0.53754365069542 0.62500000000000 65.380 > 1 17 Zn 0.50000000000000 0.53754365069542 0.62500000000000 65.380 > 1 18 Zn 0.83333333333333 0.53754365069542 0.62500000000000 65.380 > 1 19 Zn 0.00000000000000 0.96245634930458 0.37500000000000 65.380 > 2 20 Zn 0.33333333333333 0.96245634930458 0.37500000000000 65.380 > 2 21 Zn 0.66666666666667 0.96245634930458 0.37500000000000 65.380 > 2 22 Zn 0.00000000000000 0.96245634930458 0.87500000000000 65.380 > 2 23 Zn 0.33333333333333 0.96245634930458 0.87500000000000 65.380 > 2 24 Zn 0.66666666666667 0.96245634930458 0.87500000000000 65.380 > 2 *25 Se 0.00000000000000 0.44285976709890 0.12500000000000 78.960 > 3 26 Se 0.33333333333333 0.44285976709890 0.12500000000000 78.960 > 3 27 Se 0.66666666666667 0.44285976709890 0.12500000000000 78.960 > 3 28 Se 0.00000000000000 0.44285976709890 0.62500000000000 78.960 > 3 29 Se 0.33333333333333 0.44285976709890 0.62500000000000 78.960 > 3 30 Se 0.66666666666667 0.44285976709890 0.62500000000000 78.960 > 3 31 Se 0.16666666666667 0.05714023290110 0.37500000000000 78.960 > 4 32 Se 0.50000000000000 0.05714023290110 0.37500000000000 78.960 > 4 33 Se 0.83333333333333 0.05714023290110 0.37500000000000 78.960 > 4 34 Se 0.16666666666667 0.05714023290110 0.87500000000000 78.960 > 4 35 Se 0.50000000000000 0.05714023290110 0.87500000000000 78.960 > 4 36 Se 0.83333333333333 0.05714023290110 0.87500000000000 78.960 > 4 *37 Se 0.16666666666667 0.38243138351530 0.47138703272633 78.960 > 5 38 Se 0.50000000000000 0.38243138351530 0.47138703272633 78.960 > 5 39 Se 0.83333333333333 0.38243138351530 0.47138703272633 78.960 > 5 40 Se 0.16666666666667 0.38243138351530 0.97138703272633 78.960 > 5 41 Se 0.50000000000000 0.38243138351530 0.97138703272633 78.960 > 5 42 Se 0.83333333333333 0.38243138351530 0.97138703272633 78.960 > 5 43 Se 0.00000000000000 0.11756861648470 0.02861296727367 78.960 > 6 44 Se 0.33333333333333 0.11756861648470 0.02861296727367 78.960 > 6 45 Se 0.66666666666667 0.11756861648470 0.02861296727367 78.960 > 6 46 Se 0.00000000000000 0.11756861648470 0.52861296727367 78.960 > 6 47 Se 0.33333333333333 0.11756861648470 0.52861296727367 78.960 > 6 48 Se 0.66666666666667 0.11756861648470 0.52861296727367 78.960 > 6 49 Se 0.00000000000000 0.11756861648470 0.22138703272633 78.960 > 7 50 Se 0.33333333333333 0.11756861648470 0.22138703272633 78.960 > 7 51 Se 0.66666666666667 0.11756861648470 0.22138703272633 78.960 > 7 52 Se 0.00000000000000 0.11756861648470 0.72138703272633 78.960 > 7 53 Se 0.33333333333333 0.11756861648470 0.72138703272633 78.960 > 7 54 Se 0.66666666666667 0.11756861648470 0.72138703272633 78.960 > 7 55 Se 0.16666666666667 0.38243138351530 0.27861296727367 78.960 > 8 56 Se 0.50000000000000 0.38243138351530 0.27861296727367 78.960 > 8 57 Se 0.83333333333333 0.38243138351530 0.27861296727367 78.960 > 8 58 Se 0.16666666666667 0.38243138351530 0.77861296727367 78.960 > 8 59 Se 0.50000000000000 0.38243138351530 0.77861296727367 78.960 > 8 60 Se 0.83333333333333 0.38243138351530 0.77861296727367 78.960 > 8 61 Se 0.16666666666667 0.94285976709890 0.12500000000000 78.960 > 3 62 Se 0.50000000000000 0.94285976709890 0.12500000000000 78.960 > 3 63 Se 0.83333333333333 0.94285976709890 0.12500000000000 78.960 > 3 64 Se 0.16666666666667 0.94285976709890 0.62500000000000 78.960 > 3 65 Se 0.50000000000000 0.94285976709890 0.62500000000000 78.960 > 3 66 Se 0.83333333333333 0.94285976709890 0.62500000000000 78.960 > 3 67 Se 0.00000000000000 0.55714023290110 0.37500000000000 78.960 > 4 68 Se 0.33333333333333 0.55714023290110 0.37500000000000 78.960 > 4 69 Se 0.66666666666667 0.55714023290110 0.37500000000000 78.960 > 4 70 Se 0.00000000000000 0.55714023290110 0.87500000000000 78.960 > 4 71 Se 0.33333333333333 0.55714023290110 0.87500000000000 78.960 > 4 72 Se 0.66666666666667 0.55714023290110 0.87500000000000 78.960 > 4 73 Se 0.00000000000000 0.88243138351530 0.47138703272633 78.960 > 5 74 Se 0.33333333333333 0.88243138351530 0.47138703272633 78.960 > 5 75 Se 0.66666666666667 0.88243138351530 0.47138703272633 78.960 > 5 76 Se 0.00000000000000 0.88243138351530 0.97138703272633 78.960 > 5 77 Se 0.33333333333333 0.88243138351530 0.97138703272633 78.960 > 5 78 Se 0.66666666666667 0.88243138351530 0.97138703272633 78.960 > 5 79 Se 0.16666666666667 0.61756861648470 0.02861296727367 78.960 > 6 80 Se 0.50000000000000 0.61756861648470 0.02861296727367 78.960 > 6 81 Se 0.83333333333333 0.61756861648470 0.02861296727367 78.960 > 6 82 Se 0.16666666666667 0.61756861648470 0.52861296727367 78.960 > 6 83 Se 0.50000000000000 0.61756861648470 0.52861296727367 78.960 > 6 84 Se 0.83333333333333 0.61756861648470 0.52861296727367 78.960 > 6 85 Se 0.16666666666667 0.61756861648470 0.22138703272633 78.960 > 7 86 Se 0.50000000000000 0.61756861648470 0.22138703272633 78.960 > 7 87 Se 0.83333333333333 0.61756861648470 0.22138703272633 78.960 > 7 88 Se 0.16666666666667 0.61756861648470 0.72138703272633 78.960 > 7 89 Se 0.50000000000000 0.61756861648470 0.72138703272633 78.960 > 7 90 Se 0.83333333333333 0.61756861648470 0.72138703272633 78.960 > 7 91 Se 0.00000000000000 0.88243138351530 0.27861296727367 78.960 > 8 92 Se 0.33333333333333 0.88243138351530 0.27861296727367 78.960 > 8 93 Se 0.66666666666667 0.88243138351530 0.27861296727367 78.960 > 8 94 Se 0.00000000000000 0.88243138351530 0.77861296727367 78.960 > 8 95 Se 0.33333333333333 0.88243138351530 0.77861296727367 78.960 > 8 96 Se 0.66666666666667 0.88243138351530 0.77861296727367 78.960 > 8 *97 Cs 0.16666666666667 0.25610030405374 0.12500000000000 132.905 > 9 98 Cs 0.50000000000000 0.25610030405374 0.12500000000000 132.905 > 9 99 Cs 0.83333333333333 0.25610030405374 0.12500000000000 132.905 > 9 100 Cs 0.16666666666667 0.25610030405374 0.62500000000000 132.905 > 9 101 Cs 0.50000000000000 0.25610030405374 0.62500000000000 132.905 > 9 102 Cs 0.83333333333333 0.25610030405374 0.62500000000000 132.905 > 9 103 Cs 0.00000000000000 0.24389969594626 0.37500000000000 132.905 > 10 104 Cs 0.33333333333333 0.24389969594626 0.37500000000000 132.905 > 10 105 Cs 0.66666666666667 0.24389969594626 0.37500000000000 132.905 > 10 106 Cs 0.00000000000000 0.24389969594626 0.87500000000000 132.905 > 10 107 Cs 0.33333333333333 0.24389969594626 0.87500000000000 132.905 > 10 108 Cs 0.66666666666667 0.24389969594626 0.87500000000000 132.905 > 10 109 Cs 0.00000000000000 0.75610030405374 0.12500000000000 132.905 > 9 110 Cs 0.33333333333333 0.75610030405374 0.12500000000000 132.905 > 9 111 Cs 0.66666666666667 0.75610030405374 0.12500000000000 132.905 > 9 112 Cs 0.00000000000000 0.75610030405374 0.62500000000000 132.905 > 9 113 Cs 0.33333333333333 0.75610030405374 0.62500000000000 132.905 > 9 114 Cs 0.66666666666667 0.75610030405374 0.62500000000000 132.905 > 9 115 Cs 0.16666666666667 0.74389969594626 0.37500000000000 132.905 > 10 116 Cs 0.50000000000000 0.74389969594626 0.37500000000000 132.905 > 10 117 Cs 0.83333333333333 0.74389969594626 0.37500000000000 132.905 > 10 118 Cs 0.16666666666667 0.74389969594626 0.87500000000000 132.905 > 10 119 Cs 0.50000000000000 0.74389969594626 0.87500000000000 132.905 > 10 120 Cs 0.83333333333333 0.74389969594626 0.87500000000000 132.905 > 10 *121 Er 0.16666666666667 0.00000000000000 0.25000000000000 167.259 > 11 122 Er 0.50000000000000 0.00000000000000 0.25000000000000 167.259 > 11 123 Er 0.83333333333333 0.00000000000000 0.25000000000000 167.259 > 11 124 Er 0.16666666666667 0.00000000000000 0.75000000000000 167.259 > 11 125 Er 0.50000000000000 0.00000000000000 0.75000000000000 167.259 > 11 126 Er 0.83333333333333 0.00000000000000 0.75000000000000 167.259 > 11 127 Er 0.16666666666667 0.00000000000000 0.00000000000000 167.259 > 12 128 Er 0.50000000000000 0.00000000000000 0.00000000000000 167.259 > 12 129 Er 0.83333333333333 0.00000000000000 0.00000000000000 167.259 > 12 130 Er 0.16666666666667 0.00000000000000 0.50000000000000 167.259 > 12 131 Er 0.50000000000000 0.00000000000000 0.50000000000000 167.259 > 12 132 Er 0.83333333333333 0.00000000000000 0.50000000000000 167.259 > 12 133 Er 0.00000000000000 0.50000000000000 0.25000000000000 167.259 > 11 134 Er 0.33333333333333 0.50000000000000 0.25000000000000 167.259 > 11 135 Er 0.66666666666667 0.50000000000000 0.25000000000000 167.259 > 11 136 Er 0.00000000000000 0.50000000000000 0.75000000000000 167.259 > 11 137 Er 0.33333333333333 0.50000000000000 0.75000000000000 167.259 > 11 138 Er 0.66666666666667 0.50000000000000 0.75000000000000 167.259 > 11 139 Er 0.00000000000000 0.50000000000000 0.00000000000000 167.259 > 12 140 Er 0.33333333333333 0.50000000000000 0.00000000000000 167.259 > 12 141 Er 0.66666666666667 0.50000000000000 0.00000000000000 167.259 > 12 142 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 > 12 143 Er 0.33333333333333 0.50000000000000 0.50000000000000 167.259 > 12 144 Er 0.66666666666667 0.50000000000000 0.50000000000000 167.259 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8287276 0.0000000 0.0000000 0.0000000 4.6119401 0.0000000 0.0000000 0.0000000 6.4990017 -------------------------- Born effective charges -------------------------- 1 Zn 1.9567462 0.0000000 0.0000000 0.0000000 0.7599347 0.0000000 0.0000000 0.0000000 1.8540824 2 Zn 1.9567462 0.0000000 0.0000000 0.0000000 0.7599347 0.0000000 0.0000000 0.0000000 1.8540824 3 Se -2.2771569 0.0000000 0.0000000 0.0000000 -1.1428863 0.0000000 0.0000000 0.0000000 -3.3417023 4 Se -2.2771569 0.0000000 0.0000000 0.0000000 -1.1428863 0.0000000 0.0000000 0.0000000 -3.3417023 5 Se -2.8353164 0.0000000 0.0000000 0.0000000 -1.6305323 -0.0686590 0.0000000 -0.1522160 -2.1961201 6 Se -2.8353164 0.0000000 0.0000000 0.0000000 -1.6305323 -0.0686590 0.0000000 -0.1522160 -2.1961201 7 Se -2.8353164 0.0000000 0.0000000 0.0000000 -1.6305323 0.0686590 0.0000000 0.1522160 -2.1961201 8 Se -2.8353164 0.0000000 0.0000000 0.0000000 -1.6305323 0.0686590 0.0000000 0.1522160 -2.1961201 9 Cs 1.2099417 0.0000000 0.0000000 0.0000000 1.9994145 0.0000000 0.0000000 0.0000000 1.2945238 10 Cs 1.2099417 0.0000000 0.0000000 0.0000000 1.9994145 0.0000000 0.0000000 0.0000000 1.2945238 11 Er 4.7811016 0.0000000 0.0000000 0.0000000 1.6446018 -0.3523896 0.0000000 -0.4912767 4.5853364 12 Er 4.7811016 0.0000000 0.0000000 0.0000000 1.6446018 0.3523896 0.0000000 0.4912767 4.5853364 ---------------------------------------------------------------------------- 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: 1.674 Solver_block: 200 / 240 - Time: 1.677 Solver_block: 240 / 240 - Time: 0.765 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.296 --------------------------------- 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 22:16:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:16:12]------------------------- 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 2.037457465000000 -7.900674125000002 0.000000000000000 b 2.037457465000000 7.900674125000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.724088920000002 Atomic positions (fractional): 1 Zn 0.96245634930458 0.03754365069542 0.25000000000000 65.380 2 Zn 0.03754365069542 0.96245634930458 0.75000000000000 65.380 3 Se 0.55714023290110 0.44285976709890 0.25000000000000 78.960 4 Se 0.44285976709890 0.55714023290110 0.75000000000000 78.960 5 Se 0.11756861648470 0.88243138351530 0.94277406545265 78.960 6 Se 0.88243138351530 0.11756861648470 0.05722593454735 78.960 7 Se 0.88243138351530 0.11756861648470 0.44277406545265 78.960 8 Se 0.11756861648470 0.88243138351530 0.55722593454735 78.960 9 Cs 0.24389969594626 0.75610030405374 0.25000000000000 132.905 10 Cs 0.75610030405374 0.24389969594626 0.75000000000000 132.905 11 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 12 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.224744790000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.801348250000004 0.000000000000000 c 0.000000000000000 0.000000000000000 21.448177840000003 Atomic positions (fractional): 1 Zn 0.00000000000000 0.03754365069542 0.12500000000000 65.380 > 1 2 Zn 0.33333333333333 0.03754365069542 0.12500000000000 65.380 > 1 3 Zn 0.66666666666667 0.03754365069542 0.12500000000000 65.380 > 1 4 Zn 0.00000000000000 0.03754365069542 0.62500000000000 65.380 > 1 5 Zn 0.33333333333333 0.03754365069542 0.62500000000000 65.380 > 1 6 Zn 0.66666666666667 0.03754365069542 0.62500000000000 65.380 > 1 7 Zn 0.16666666666667 0.46245634930458 0.37500000000000 65.380 > 7 8 Zn 0.50000000000000 0.46245634930458 0.37500000000000 65.380 > 7 9 Zn 0.83333333333333 0.46245634930458 0.37500000000000 65.380 > 7 10 Zn 0.16666666666667 0.46245634930458 0.87500000000000 65.380 > 7 11 Zn 0.50000000000000 0.46245634930458 0.87500000000000 65.380 > 7 12 Zn 0.83333333333333 0.46245634930458 0.87500000000000 65.380 > 7 13 Zn 0.16666666666667 0.53754365069542 0.12500000000000 65.380 > 1 14 Zn 0.50000000000000 0.53754365069542 0.12500000000000 65.380 > 1 15 Zn 0.83333333333333 0.53754365069542 0.12500000000000 65.380 > 1 16 Zn 0.16666666666667 0.53754365069542 0.62500000000000 65.380 > 1 17 Zn 0.50000000000000 0.53754365069542 0.62500000000000 65.380 > 1 18 Zn 0.83333333333333 0.53754365069542 0.62500000000000 65.380 > 1 19 Zn 0.00000000000000 0.96245634930458 0.37500000000000 65.380 > 7 20 Zn 0.33333333333333 0.96245634930458 0.37500000000000 65.380 > 7 21 Zn 0.66666666666667 0.96245634930458 0.37500000000000 65.380 > 7 22 Zn 0.00000000000000 0.96245634930458 0.87500000000000 65.380 > 7 23 Zn 0.33333333333333 0.96245634930458 0.87500000000000 65.380 > 7 24 Zn 0.66666666666667 0.96245634930458 0.87500000000000 65.380 > 7 25 Se 0.00000000000000 0.44285976709890 0.12500000000000 78.960 > 25 26 Se 0.33333333333333 0.44285976709890 0.12500000000000 78.960 > 25 27 Se 0.66666666666667 0.44285976709890 0.12500000000000 78.960 > 25 28 Se 0.00000000000000 0.44285976709890 0.62500000000000 78.960 > 25 29 Se 0.33333333333333 0.44285976709890 0.62500000000000 78.960 > 25 30 Se 0.66666666666667 0.44285976709890 0.62500000000000 78.960 > 25 31 Se 0.16666666666667 0.05714023290110 0.37500000000000 78.960 > 31 32 Se 0.50000000000000 0.05714023290110 0.37500000000000 78.960 > 31 33 Se 0.83333333333333 0.05714023290110 0.37500000000000 78.960 > 31 34 Se 0.16666666666667 0.05714023290110 0.87500000000000 78.960 > 31 35 Se 0.50000000000000 0.05714023290110 0.87500000000000 78.960 > 31 36 Se 0.83333333333333 0.05714023290110 0.87500000000000 78.960 > 31 37 Se 0.16666666666667 0.38243138351530 0.47138703272633 78.960 > 37 38 Se 0.50000000000000 0.38243138351530 0.47138703272633 78.960 > 37 39 Se 0.83333333333333 0.38243138351530 0.47138703272633 78.960 > 37 40 Se 0.16666666666667 0.38243138351530 0.97138703272633 78.960 > 37 41 Se 0.50000000000000 0.38243138351530 0.97138703272633 78.960 > 37 42 Se 0.83333333333333 0.38243138351530 0.97138703272633 78.960 > 37 43 Se 0.00000000000000 0.11756861648470 0.02861296727367 78.960 > 43 44 Se 0.33333333333333 0.11756861648470 0.02861296727367 78.960 > 43 45 Se 0.66666666666667 0.11756861648470 0.02861296727367 78.960 > 43 46 Se 0.00000000000000 0.11756861648470 0.52861296727367 78.960 > 43 47 Se 0.33333333333333 0.11756861648470 0.52861296727367 78.960 > 43 48 Se 0.66666666666667 0.11756861648470 0.52861296727367 78.960 > 43 49 Se 0.00000000000000 0.11756861648470 0.22138703272633 78.960 > 49 50 Se 0.33333333333333 0.11756861648470 0.22138703272633 78.960 > 49 51 Se 0.66666666666667 0.11756861648470 0.22138703272633 78.960 > 49 52 Se 0.00000000000000 0.11756861648470 0.72138703272633 78.960 > 49 53 Se 0.33333333333333 0.11756861648470 0.72138703272633 78.960 > 49 54 Se 0.66666666666667 0.11756861648470 0.72138703272633 78.960 > 49 55 Se 0.16666666666667 0.38243138351530 0.27861296727367 78.960 > 55 56 Se 0.50000000000000 0.38243138351530 0.27861296727367 78.960 > 55 57 Se 0.83333333333333 0.38243138351530 0.27861296727367 78.960 > 55 58 Se 0.16666666666667 0.38243138351530 0.77861296727367 78.960 > 55 59 Se 0.50000000000000 0.38243138351530 0.77861296727367 78.960 > 55 60 Se 0.83333333333333 0.38243138351530 0.77861296727367 78.960 > 55 61 Se 0.16666666666667 0.94285976709890 0.12500000000000 78.960 > 25 62 Se 0.50000000000000 0.94285976709890 0.12500000000000 78.960 > 25 63 Se 0.83333333333333 0.94285976709890 0.12500000000000 78.960 > 25 64 Se 0.16666666666667 0.94285976709890 0.62500000000000 78.960 > 25 65 Se 0.50000000000000 0.94285976709890 0.62500000000000 78.960 > 25 66 Se 0.83333333333333 0.94285976709890 0.62500000000000 78.960 > 25 67 Se 0.00000000000000 0.55714023290110 0.37500000000000 78.960 > 31 68 Se 0.33333333333333 0.55714023290110 0.37500000000000 78.960 > 31 69 Se 0.66666666666667 0.55714023290110 0.37500000000000 78.960 > 31 70 Se 0.00000000000000 0.55714023290110 0.87500000000000 78.960 > 31 71 Se 0.33333333333333 0.55714023290110 0.87500000000000 78.960 > 31 72 Se 0.66666666666667 0.55714023290110 0.87500000000000 78.960 > 31 73 Se 0.00000000000000 0.88243138351530 0.47138703272633 78.960 > 37 74 Se 0.33333333333333 0.88243138351530 0.47138703272633 78.960 > 37 75 Se 0.66666666666667 0.88243138351530 0.47138703272633 78.960 > 37 76 Se 0.00000000000000 0.88243138351530 0.97138703272633 78.960 > 37 77 Se 0.33333333333333 0.88243138351530 0.97138703272633 78.960 > 37 78 Se 0.66666666666667 0.88243138351530 0.97138703272633 78.960 > 37 79 Se 0.16666666666667 0.61756861648470 0.02861296727367 78.960 > 43 80 Se 0.50000000000000 0.61756861648470 0.02861296727367 78.960 > 43 81 Se 0.83333333333333 0.61756861648470 0.02861296727367 78.960 > 43 82 Se 0.16666666666667 0.61756861648470 0.52861296727367 78.960 > 43 83 Se 0.50000000000000 0.61756861648470 0.52861296727367 78.960 > 43 84 Se 0.83333333333333 0.61756861648470 0.52861296727367 78.960 > 43 85 Se 0.16666666666667 0.61756861648470 0.22138703272633 78.960 > 49 86 Se 0.50000000000000 0.61756861648470 0.22138703272633 78.960 > 49 87 Se 0.83333333333333 0.61756861648470 0.22138703272633 78.960 > 49 88 Se 0.16666666666667 0.61756861648470 0.72138703272633 78.960 > 49 89 Se 0.50000000000000 0.61756861648470 0.72138703272633 78.960 > 49 90 Se 0.83333333333333 0.61756861648470 0.72138703272633 78.960 > 49 91 Se 0.00000000000000 0.88243138351530 0.27861296727367 78.960 > 55 92 Se 0.33333333333333 0.88243138351530 0.27861296727367 78.960 > 55 93 Se 0.66666666666667 0.88243138351530 0.27861296727367 78.960 > 55 94 Se 0.00000000000000 0.88243138351530 0.77861296727367 78.960 > 55 95 Se 0.33333333333333 0.88243138351530 0.77861296727367 78.960 > 55 96 Se 0.66666666666667 0.88243138351530 0.77861296727367 78.960 > 55 97 Cs 0.16666666666667 0.25610030405374 0.12500000000000 132.905 > 97 98 Cs 0.50000000000000 0.25610030405374 0.12500000000000 132.905 > 97 99 Cs 0.83333333333333 0.25610030405374 0.12500000000000 132.905 > 97 100 Cs 0.16666666666667 0.25610030405374 0.62500000000000 132.905 > 97 101 Cs 0.50000000000000 0.25610030405374 0.62500000000000 132.905 > 97 102 Cs 0.83333333333333 0.25610030405374 0.62500000000000 132.905 > 97 103 Cs 0.00000000000000 0.24389969594626 0.37500000000000 132.905 > 103 104 Cs 0.33333333333333 0.24389969594626 0.37500000000000 132.905 > 103 105 Cs 0.66666666666667 0.24389969594626 0.37500000000000 132.905 > 103 106 Cs 0.00000000000000 0.24389969594626 0.87500000000000 132.905 > 103 107 Cs 0.33333333333333 0.24389969594626 0.87500000000000 132.905 > 103 108 Cs 0.66666666666667 0.24389969594626 0.87500000000000 132.905 > 103 109 Cs 0.00000000000000 0.75610030405374 0.12500000000000 132.905 > 97 110 Cs 0.33333333333333 0.75610030405374 0.12500000000000 132.905 > 97 111 Cs 0.66666666666667 0.75610030405374 0.12500000000000 132.905 > 97 112 Cs 0.00000000000000 0.75610030405374 0.62500000000000 132.905 > 97 113 Cs 0.33333333333333 0.75610030405374 0.62500000000000 132.905 > 97 114 Cs 0.66666666666667 0.75610030405374 0.62500000000000 132.905 > 97 115 Cs 0.16666666666667 0.74389969594626 0.37500000000000 132.905 > 103 116 Cs 0.50000000000000 0.74389969594626 0.37500000000000 132.905 > 103 117 Cs 0.83333333333333 0.74389969594626 0.37500000000000 132.905 > 103 118 Cs 0.16666666666667 0.74389969594626 0.87500000000000 132.905 > 103 119 Cs 0.50000000000000 0.74389969594626 0.87500000000000 132.905 > 103 120 Cs 0.83333333333333 0.74389969594626 0.87500000000000 132.905 > 103 121 Er 0.16666666666667 0.00000000000000 0.25000000000000 167.259 > 121 122 Er 0.50000000000000 0.00000000000000 0.25000000000000 167.259 > 121 123 Er 0.83333333333333 0.00000000000000 0.25000000000000 167.259 > 121 124 Er 0.16666666666667 0.00000000000000 0.75000000000000 167.259 > 121 125 Er 0.50000000000000 0.00000000000000 0.75000000000000 167.259 > 121 126 Er 0.83333333333333 0.00000000000000 0.75000000000000 167.259 > 121 127 Er 0.16666666666667 0.00000000000000 0.00000000000000 167.259 > 127 128 Er 0.50000000000000 0.00000000000000 0.00000000000000 167.259 > 127 129 Er 0.83333333333333 0.00000000000000 0.00000000000000 167.259 > 127 130 Er 0.16666666666667 0.00000000000000 0.50000000000000 167.259 > 127 131 Er 0.50000000000000 0.00000000000000 0.50000000000000 167.259 > 127 132 Er 0.83333333333333 0.00000000000000 0.50000000000000 167.259 > 127 133 Er 0.00000000000000 0.50000000000000 0.25000000000000 167.259 > 121 134 Er 0.33333333333333 0.50000000000000 0.25000000000000 167.259 > 121 135 Er 0.66666666666667 0.50000000000000 0.25000000000000 167.259 > 121 136 Er 0.00000000000000 0.50000000000000 0.75000000000000 167.259 > 121 137 Er 0.33333333333333 0.50000000000000 0.75000000000000 167.259 > 121 138 Er 0.66666666666667 0.50000000000000 0.75000000000000 167.259 > 121 139 Er 0.00000000000000 0.50000000000000 0.00000000000000 167.259 > 127 140 Er 0.33333333333333 0.50000000000000 0.00000000000000 167.259 > 127 141 Er 0.66666666666667 0.50000000000000 0.00000000000000 167.259 > 127 142 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 > 127 143 Er 0.33333333333333 0.50000000000000 0.50000000000000 167.259 > 127 144 Er 0.66666666666667 0.50000000000000 0.50000000000000 167.259 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8287276 0.0000000 0.0000000 0.0000000 4.6119401 0.0000000 0.0000000 0.0000000 6.4990017 -------------------------- Born effective charges -------------------------- 1 Zn 1.9567462 0.0000000 0.0000000 0.0000000 0.7599347 0.0000000 0.0000000 0.0000000 1.8540824 2 Zn 1.9567462 0.0000000 0.0000000 0.0000000 0.7599347 0.0000000 0.0000000 0.0000000 1.8540824 3 Se -2.2771569 0.0000000 0.0000000 0.0000000 -1.1428863 0.0000000 0.0000000 0.0000000 -3.3417023 4 Se -2.2771569 0.0000000 0.0000000 0.0000000 -1.1428863 0.0000000 0.0000000 0.0000000 -3.3417023 5 Se -2.8353164 0.0000000 0.0000000 0.0000000 -1.6305323 -0.0686590 0.0000000 -0.1522160 -2.1961201 6 Se -2.8353164 0.0000000 0.0000000 0.0000000 -1.6305323 -0.0686590 0.0000000 -0.1522160 -2.1961201 7 Se -2.8353164 0.0000000 0.0000000 0.0000000 -1.6305323 0.0686590 0.0000000 0.1522160 -2.1961201 8 Se -2.8353164 0.0000000 0.0000000 0.0000000 -1.6305323 0.0686590 0.0000000 0.1522160 -2.1961201 9 Cs 1.2099417 0.0000000 0.0000000 0.0000000 1.9994145 0.0000000 0.0000000 0.0000000 1.2945238 10 Cs 1.2099417 0.0000000 0.0000000 0.0000000 1.9994145 0.0000000 0.0000000 0.0000000 1.2945238 11 Er 4.7811016 0.0000000 0.0000000 0.0000000 1.6446018 -0.3523896 0.0000000 -0.4912767 4.5853364 12 Er 4.7811016 0.0000000 0.0000000 0.0000000 1.6446018 0.3523896 0.0000000 0.4912767 4.5853364 ---------------------------------------------------------------------------- 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[ 37, 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: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:16:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:16:34]------------------------- 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 2.037457465000000 -7.900674125000002 0.000000000000000 b 2.037457465000000 7.900674125000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.724088920000002 Atomic positions (fractional): 1 Zn 0.96245634930458 0.03754365069542 0.25000000000000 65.380 2 Zn 0.03754365069542 0.96245634930458 0.75000000000000 65.380 3 Se 0.55714023290110 0.44285976709890 0.25000000000000 78.960 4 Se 0.44285976709890 0.55714023290110 0.75000000000000 78.960 5 Se 0.11756861648470 0.88243138351530 0.94277406545265 78.960 6 Se 0.88243138351530 0.11756861648470 0.05722593454735 78.960 7 Se 0.88243138351530 0.11756861648470 0.44277406545265 78.960 8 Se 0.11756861648470 0.88243138351530 0.55722593454735 78.960 9 Cs 0.24389969594626 0.75610030405374 0.25000000000000 132.905 10 Cs 0.75610030405374 0.24389969594626 0.75000000000000 132.905 11 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 12 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.224744790000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.801348250000004 0.000000000000000 c 0.000000000000000 0.000000000000000 21.448177840000003 Atomic positions (fractional): 1 Zn 0.00000000000000 0.03754365069542 0.12500000000000 65.380 > 1 2 Zn 0.33333333333333 0.03754365069542 0.12500000000000 65.380 > 1 3 Zn 0.66666666666667 0.03754365069542 0.12500000000000 65.380 > 1 4 Zn 0.00000000000000 0.03754365069542 0.62500000000000 65.380 > 1 5 Zn 0.33333333333333 0.03754365069542 0.62500000000000 65.380 > 1 6 Zn 0.66666666666667 0.03754365069542 0.62500000000000 65.380 > 1 7 Zn 0.16666666666667 0.46245634930458 0.37500000000000 65.380 > 7 8 Zn 0.50000000000000 0.46245634930458 0.37500000000000 65.380 > 7 9 Zn 0.83333333333333 0.46245634930458 0.37500000000000 65.380 > 7 10 Zn 0.16666666666667 0.46245634930458 0.87500000000000 65.380 > 7 11 Zn 0.50000000000000 0.46245634930458 0.87500000000000 65.380 > 7 12 Zn 0.83333333333333 0.46245634930458 0.87500000000000 65.380 > 7 13 Zn 0.16666666666667 0.53754365069542 0.12500000000000 65.380 > 1 14 Zn 0.50000000000000 0.53754365069542 0.12500000000000 65.380 > 1 15 Zn 0.83333333333333 0.53754365069542 0.12500000000000 65.380 > 1 16 Zn 0.16666666666667 0.53754365069542 0.62500000000000 65.380 > 1 17 Zn 0.50000000000000 0.53754365069542 0.62500000000000 65.380 > 1 18 Zn 0.83333333333333 0.53754365069542 0.62500000000000 65.380 > 1 19 Zn 0.00000000000000 0.96245634930458 0.37500000000000 65.380 > 7 20 Zn 0.33333333333333 0.96245634930458 0.37500000000000 65.380 > 7 21 Zn 0.66666666666667 0.96245634930458 0.37500000000000 65.380 > 7 22 Zn 0.00000000000000 0.96245634930458 0.87500000000000 65.380 > 7 23 Zn 0.33333333333333 0.96245634930458 0.87500000000000 65.380 > 7 24 Zn 0.66666666666667 0.96245634930458 0.87500000000000 65.380 > 7 25 Se 0.00000000000000 0.44285976709890 0.12500000000000 78.960 > 25 26 Se 0.33333333333333 0.44285976709890 0.12500000000000 78.960 > 25 27 Se 0.66666666666667 0.44285976709890 0.12500000000000 78.960 > 25 28 Se 0.00000000000000 0.44285976709890 0.62500000000000 78.960 > 25 29 Se 0.33333333333333 0.44285976709890 0.62500000000000 78.960 > 25 30 Se 0.66666666666667 0.44285976709890 0.62500000000000 78.960 > 25 31 Se 0.16666666666667 0.05714023290110 0.37500000000000 78.960 > 31 32 Se 0.50000000000000 0.05714023290110 0.37500000000000 78.960 > 31 33 Se 0.83333333333333 0.05714023290110 0.37500000000000 78.960 > 31 34 Se 0.16666666666667 0.05714023290110 0.87500000000000 78.960 > 31 35 Se 0.50000000000000 0.05714023290110 0.87500000000000 78.960 > 31 36 Se 0.83333333333333 0.05714023290110 0.87500000000000 78.960 > 31 37 Se 0.16666666666667 0.38243138351530 0.47138703272633 78.960 > 37 38 Se 0.50000000000000 0.38243138351530 0.47138703272633 78.960 > 37 39 Se 0.83333333333333 0.38243138351530 0.47138703272633 78.960 > 37 40 Se 0.16666666666667 0.38243138351530 0.97138703272633 78.960 > 37 41 Se 0.50000000000000 0.38243138351530 0.97138703272633 78.960 > 37 42 Se 0.83333333333333 0.38243138351530 0.97138703272633 78.960 > 37 43 Se 0.00000000000000 0.11756861648470 0.02861296727367 78.960 > 43 44 Se 0.33333333333333 0.11756861648470 0.02861296727367 78.960 > 43 45 Se 0.66666666666667 0.11756861648470 0.02861296727367 78.960 > 43 46 Se 0.00000000000000 0.11756861648470 0.52861296727367 78.960 > 43 47 Se 0.33333333333333 0.11756861648470 0.52861296727367 78.960 > 43 48 Se 0.66666666666667 0.11756861648470 0.52861296727367 78.960 > 43 49 Se 0.00000000000000 0.11756861648470 0.22138703272633 78.960 > 49 50 Se 0.33333333333333 0.11756861648470 0.22138703272633 78.960 > 49 51 Se 0.66666666666667 0.11756861648470 0.22138703272633 78.960 > 49 52 Se 0.00000000000000 0.11756861648470 0.72138703272633 78.960 > 49 53 Se 0.33333333333333 0.11756861648470 0.72138703272633 78.960 > 49 54 Se 0.66666666666667 0.11756861648470 0.72138703272633 78.960 > 49 55 Se 0.16666666666667 0.38243138351530 0.27861296727367 78.960 > 55 56 Se 0.50000000000000 0.38243138351530 0.27861296727367 78.960 > 55 57 Se 0.83333333333333 0.38243138351530 0.27861296727367 78.960 > 55 58 Se 0.16666666666667 0.38243138351530 0.77861296727367 78.960 > 55 59 Se 0.50000000000000 0.38243138351530 0.77861296727367 78.960 > 55 60 Se 0.83333333333333 0.38243138351530 0.77861296727367 78.960 > 55 61 Se 0.16666666666667 0.94285976709890 0.12500000000000 78.960 > 25 62 Se 0.50000000000000 0.94285976709890 0.12500000000000 78.960 > 25 63 Se 0.83333333333333 0.94285976709890 0.12500000000000 78.960 > 25 64 Se 0.16666666666667 0.94285976709890 0.62500000000000 78.960 > 25 65 Se 0.50000000000000 0.94285976709890 0.62500000000000 78.960 > 25 66 Se 0.83333333333333 0.94285976709890 0.62500000000000 78.960 > 25 67 Se 0.00000000000000 0.55714023290110 0.37500000000000 78.960 > 31 68 Se 0.33333333333333 0.55714023290110 0.37500000000000 78.960 > 31 69 Se 0.66666666666667 0.55714023290110 0.37500000000000 78.960 > 31 70 Se 0.00000000000000 0.55714023290110 0.87500000000000 78.960 > 31 71 Se 0.33333333333333 0.55714023290110 0.87500000000000 78.960 > 31 72 Se 0.66666666666667 0.55714023290110 0.87500000000000 78.960 > 31 73 Se 0.00000000000000 0.88243138351530 0.47138703272633 78.960 > 37 74 Se 0.33333333333333 0.88243138351530 0.47138703272633 78.960 > 37 75 Se 0.66666666666667 0.88243138351530 0.47138703272633 78.960 > 37 76 Se 0.00000000000000 0.88243138351530 0.97138703272633 78.960 > 37 77 Se 0.33333333333333 0.88243138351530 0.97138703272633 78.960 > 37 78 Se 0.66666666666667 0.88243138351530 0.97138703272633 78.960 > 37 79 Se 0.16666666666667 0.61756861648470 0.02861296727367 78.960 > 43 80 Se 0.50000000000000 0.61756861648470 0.02861296727367 78.960 > 43 81 Se 0.83333333333333 0.61756861648470 0.02861296727367 78.960 > 43 82 Se 0.16666666666667 0.61756861648470 0.52861296727367 78.960 > 43 83 Se 0.50000000000000 0.61756861648470 0.52861296727367 78.960 > 43 84 Se 0.83333333333333 0.61756861648470 0.52861296727367 78.960 > 43 85 Se 0.16666666666667 0.61756861648470 0.22138703272633 78.960 > 49 86 Se 0.50000000000000 0.61756861648470 0.22138703272633 78.960 > 49 87 Se 0.83333333333333 0.61756861648470 0.22138703272633 78.960 > 49 88 Se 0.16666666666667 0.61756861648470 0.72138703272633 78.960 > 49 89 Se 0.50000000000000 0.61756861648470 0.72138703272633 78.960 > 49 90 Se 0.83333333333333 0.61756861648470 0.72138703272633 78.960 > 49 91 Se 0.00000000000000 0.88243138351530 0.27861296727367 78.960 > 55 92 Se 0.33333333333333 0.88243138351530 0.27861296727367 78.960 > 55 93 Se 0.66666666666667 0.88243138351530 0.27861296727367 78.960 > 55 94 Se 0.00000000000000 0.88243138351530 0.77861296727367 78.960 > 55 95 Se 0.33333333333333 0.88243138351530 0.77861296727367 78.960 > 55 96 Se 0.66666666666667 0.88243138351530 0.77861296727367 78.960 > 55 97 Cs 0.16666666666667 0.25610030405374 0.12500000000000 132.905 > 97 98 Cs 0.50000000000000 0.25610030405374 0.12500000000000 132.905 > 97 99 Cs 0.83333333333333 0.25610030405374 0.12500000000000 132.905 > 97 100 Cs 0.16666666666667 0.25610030405374 0.62500000000000 132.905 > 97 101 Cs 0.50000000000000 0.25610030405374 0.62500000000000 132.905 > 97 102 Cs 0.83333333333333 0.25610030405374 0.62500000000000 132.905 > 97 103 Cs 0.00000000000000 0.24389969594626 0.37500000000000 132.905 > 103 104 Cs 0.33333333333333 0.24389969594626 0.37500000000000 132.905 > 103 105 Cs 0.66666666666667 0.24389969594626 0.37500000000000 132.905 > 103 106 Cs 0.00000000000000 0.24389969594626 0.87500000000000 132.905 > 103 107 Cs 0.33333333333333 0.24389969594626 0.87500000000000 132.905 > 103 108 Cs 0.66666666666667 0.24389969594626 0.87500000000000 132.905 > 103 109 Cs 0.00000000000000 0.75610030405374 0.12500000000000 132.905 > 97 110 Cs 0.33333333333333 0.75610030405374 0.12500000000000 132.905 > 97 111 Cs 0.66666666666667 0.75610030405374 0.12500000000000 132.905 > 97 112 Cs 0.00000000000000 0.75610030405374 0.62500000000000 132.905 > 97 113 Cs 0.33333333333333 0.75610030405374 0.62500000000000 132.905 > 97 114 Cs 0.66666666666667 0.75610030405374 0.62500000000000 132.905 > 97 115 Cs 0.16666666666667 0.74389969594626 0.37500000000000 132.905 > 103 116 Cs 0.50000000000000 0.74389969594626 0.37500000000000 132.905 > 103 117 Cs 0.83333333333333 0.74389969594626 0.37500000000000 132.905 > 103 118 Cs 0.16666666666667 0.74389969594626 0.87500000000000 132.905 > 103 119 Cs 0.50000000000000 0.74389969594626 0.87500000000000 132.905 > 103 120 Cs 0.83333333333333 0.74389969594626 0.87500000000000 132.905 > 103 121 Er 0.16666666666667 0.00000000000000 0.25000000000000 167.259 > 121 122 Er 0.50000000000000 0.00000000000000 0.25000000000000 167.259 > 121 123 Er 0.83333333333333 0.00000000000000 0.25000000000000 167.259 > 121 124 Er 0.16666666666667 0.00000000000000 0.75000000000000 167.259 > 121 125 Er 0.50000000000000 0.00000000000000 0.75000000000000 167.259 > 121 126 Er 0.83333333333333 0.00000000000000 0.75000000000000 167.259 > 121 127 Er 0.16666666666667 0.00000000000000 0.00000000000000 167.259 > 127 128 Er 0.50000000000000 0.00000000000000 0.00000000000000 167.259 > 127 129 Er 0.83333333333333 0.00000000000000 0.00000000000000 167.259 > 127 130 Er 0.16666666666667 0.00000000000000 0.50000000000000 167.259 > 127 131 Er 0.50000000000000 0.00000000000000 0.50000000000000 167.259 > 127 132 Er 0.83333333333333 0.00000000000000 0.50000000000000 167.259 > 127 133 Er 0.00000000000000 0.50000000000000 0.25000000000000 167.259 > 121 134 Er 0.33333333333333 0.50000000000000 0.25000000000000 167.259 > 121 135 Er 0.66666666666667 0.50000000000000 0.25000000000000 167.259 > 121 136 Er 0.00000000000000 0.50000000000000 0.75000000000000 167.259 > 121 137 Er 0.33333333333333 0.50000000000000 0.75000000000000 167.259 > 121 138 Er 0.66666666666667 0.50000000000000 0.75000000000000 167.259 > 121 139 Er 0.00000000000000 0.50000000000000 0.00000000000000 167.259 > 127 140 Er 0.33333333333333 0.50000000000000 0.00000000000000 167.259 > 127 141 Er 0.66666666666667 0.50000000000000 0.00000000000000 167.259 > 127 142 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 > 127 143 Er 0.33333333333333 0.50000000000000 0.50000000000000 167.259 > 127 144 Er 0.66666666666667 0.50000000000000 0.50000000000000 167.259 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8287276 0.0000000 0.0000000 0.0000000 4.6119401 0.0000000 0.0000000 0.0000000 6.4990017 -------------------------- Born effective charges -------------------------- 1 Zn 1.9567462 0.0000000 0.0000000 0.0000000 0.7599347 0.0000000 0.0000000 0.0000000 1.8540824 2 Zn 1.9567462 0.0000000 0.0000000 0.0000000 0.7599347 0.0000000 0.0000000 0.0000000 1.8540824 3 Se -2.2771569 0.0000000 0.0000000 0.0000000 -1.1428863 0.0000000 0.0000000 0.0000000 -3.3417023 4 Se -2.2771569 0.0000000 0.0000000 0.0000000 -1.1428863 0.0000000 0.0000000 0.0000000 -3.3417023 5 Se -2.8353164 0.0000000 0.0000000 0.0000000 -1.6305323 -0.0686590 0.0000000 -0.1522160 -2.1961201 6 Se -2.8353164 0.0000000 0.0000000 0.0000000 -1.6305323 -0.0686590 0.0000000 -0.1522160 -2.1961201 7 Se -2.8353164 0.0000000 0.0000000 0.0000000 -1.6305323 0.0686590 0.0000000 0.1522160 -2.1961201 8 Se -2.8353164 0.0000000 0.0000000 0.0000000 -1.6305323 0.0686590 0.0000000 0.1522160 -2.1961201 9 Cs 1.2099417 0.0000000 0.0000000 0.0000000 1.9994145 0.0000000 0.0000000 0.0000000 1.2945238 10 Cs 1.2099417 0.0000000 0.0000000 0.0000000 1.9994145 0.0000000 0.0000000 0.0000000 1.2945238 11 Er 4.7811016 0.0000000 0.0000000 0.0000000 1.6446018 -0.3523896 0.0000000 -0.4912767 4.5853364 12 Er 4.7811016 0.0000000 0.0000000 0.0000000 1.6446018 0.3523896 0.0000000 0.4912767 4.5853364 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) 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 ... [ 13 13 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: 0.59, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 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 0.939 ( 0.000 0.000 0.000) 0.000 1.336 ( 0.000 0.000 0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.210 ( 0.000 0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.354 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.951 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 17.091 -0.590 0.000) 17.101 0.372 ( 18.813 -1.378 0.000) 18.864 0.620 ( 30.452 -6.081 0.000) 31.053 0.980 ( 4.242 0.117 0.000) 4.244 1.321 ( -4.953 1.760 0.000) 5.256 1.384 ( 4.759 0.017 0.000) 4.759 1.482 ( 3.306 -0.556 0.000) 3.352 1.651 ( 12.363 0.961 0.000) 12.400 1.658 ( 4.401 0.960 0.000) 4.505 1.765 ( -0.669 -1.508 0.000) 1.649 2.114 ( -2.586 2.048 0.000) 3.298 2.176 ( -2.451 -0.017 0.000) 2.451 2.186 ( -2.698 -2.081 0.000) 3.408 2.378 ( 5.804 -0.913 0.000) 5.876 2.451 ( -0.358 -0.028 0.000) 0.359 2.482 ( 9.831 0.099 0.000) 9.832 2.728 ( -0.417 0.193 0.000) 0.459 3.226 ( -3.227 -0.281 0.000) 3.239 3.793 ( 3.297 -0.050 0.000) 3.298 3.798 ( 6.768 -0.038 0.000) 6.768 3.916 ( 6.158 -0.049 0.000) 6.159 4.332 ( 0.011 -0.013 0.000) 0.017 4.360 ( -2.542 -0.037 0.000) 2.543 4.511 ( -0.332 2.575 0.000) 2.596 4.651 ( 2.523 2.028 0.000) 3.237 4.768 ( -2.303 -0.393 0.000) 2.336 4.899 ( -1.186 -0.050 0.000) 1.187 4.924 ( -1.212 -0.051 0.000) 1.213 5.064 ( -0.097 1.412 0.000) 1.416 5.080 ( 1.294 -0.043 0.000) 1.295 5.472 ( -1.159 0.077 0.000) 1.162 5.790 ( 1.396 18.358 0.000) 18.411 5.952 ( 0.950 3.669 0.000) 3.791 6.588 ( -7.161 -9.005 0.000) 11.505 6.920 ( -1.259 1.373 0.000) 1.862 6.946 ( -0.151 -1.287 0.000) 1.296 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 18.029 1.444 0.000) 18.086 0.709 ( 15.504 -1.636 0.000) 15.590 1.088 ( 7.137 0.451 0.000) 7.151 1.187 ( 25.589 -5.843 0.000) 26.248 1.234 ( -3.103 2.571 0.000) 4.030 1.497 ( 7.181 0.783 0.000) 7.224 1.582 ( 6.662 -1.142 0.000) 6.759 1.752 ( -0.504 -1.145 0.000) 1.250 1.753 ( 6.317 3.786 0.000) 7.365 1.901 ( 12.500 0.325 0.000) 12.504 2.052 ( -2.531 0.688 0.000) 2.623 2.125 ( -2.878 -0.805 0.000) 2.988 2.164 ( -0.029 0.396 0.000) 0.397 2.460 ( 2.233 -0.030 0.000) 2.233 2.507 ( 6.888 -1.018 0.000) 6.963 2.702 ( 12.681 0.209 0.000) 12.683 2.715 ( -0.788 0.301 0.000) 0.844 3.175 ( -1.890 -0.691 0.000) 2.012 3.872 ( 4.503 -0.143 0.000) 4.505 3.953 ( 8.590 -0.089 0.000) 8.591 4.059 ( 8.259 -0.413 0.000) 8.269 4.292 ( -4.438 -0.056 0.000) 4.438 4.339 ( 0.963 0.063 0.000) 0.965 4.482 ( -1.669 0.545 0.000) 1.756 4.659 ( -5.977 1.667 0.000) 6.206 4.716 ( 1.390 -0.071 0.000) 1.392 4.870 ( -1.768 -0.057 0.000) 1.769 4.891 ( -1.772 -0.118 0.000) 1.776 5.052 ( -0.429 -0.161 0.000) 0.458 5.146 ( 5.099 0.404 0.000) 5.115 5.444 ( -1.655 0.125 0.000) 1.660 5.703 ( -3.972 6.875 0.000) 7.940 5.947 ( 0.594 4.606 0.000) 4.644 6.460 ( -9.497 -4.010 0.000) 10.309 6.880 ( -2.489 0.148 0.000) 2.494 6.950 ( 0.207 0.035 0.000) 0.210 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 7.375 -1.010 0.000) 7.444 0.976 ( 17.423 3.719 0.000) 17.816 1.181 ( -1.431 1.444 0.000) 2.033 1.250 ( 10.415 0.435 0.000) 10.424 1.570 ( 11.436 -1.206 0.000) 11.499 1.650 ( 7.981 -1.038 0.000) 8.048 1.720 ( 6.669 -2.201 0.000) 7.023 1.755 ( 0.508 -0.870 0.000) 1.007 1.821 ( 2.843 10.048 0.000) 10.443 2.044 ( 0.926 -1.483 0.000) 1.748 2.068 ( 4.400 0.086 0.000) 4.401 2.138 ( 7.053 -4.070 0.000) 8.143 2.179 ( 1.562 -1.124 0.000) 1.925 2.577 ( 10.626 0.238 0.000) 10.629 2.635 ( 5.926 -1.112 0.000) 6.029 2.695 ( -1.255 0.272 0.000) 1.284 2.927 ( 10.488 0.109 0.000) 10.489 3.169 ( 0.555 -0.970 0.000) 1.117 3.939 ( 1.622 -0.199 0.000) 1.634 4.089 ( 5.278 -0.125 0.000) 5.279 4.210 ( 6.842 -0.590 0.000) 6.867 4.211 ( -3.301 -0.013 0.000) 3.301 4.378 ( 3.248 0.209 0.000) 3.254 4.457 ( -1.169 0.453 0.000) 1.254 4.484 ( -9.482 -0.498 0.000) 9.495 4.756 ( 2.105 1.074 0.000) 2.363 4.837 ( -1.604 -0.037 0.000) 1.604 4.869 ( -0.361 0.220 0.000) 0.423 5.055 ( 0.570 -0.010 0.000) 0.570 5.244 ( 5.041 0.358 0.000) 5.054 5.414 ( -1.360 0.112 0.000) 1.365 5.580 ( -6.170 3.306 0.000) 7.000 5.929 ( -0.201 4.387 0.000) 4.392 6.280 ( -10.873 -2.313 0.000) 11.116 6.829 ( -2.902 -0.470 0.000) 2.940 6.954 ( 0.416 0.744 0.000) 0.852 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 1.268 0.438 0.000) 1.341 1.158 ( -1.321 -0.634 0.000) 1.466 1.255 ( 14.048 5.781 0.000) 15.191 1.451 ( 9.710 -0.081 0.000) 9.711 1.679 ( 1.230 2.658 0.000) 2.928 1.723 ( -3.986 7.993 0.000) 8.932 1.769 ( 7.142 1.406 0.000) 7.279 1.787 ( 2.712 -0.103 0.000) 2.714 1.901 ( 6.497 -5.721 0.000) 8.657 2.082 ( 2.677 -1.943 0.000) 3.308 2.091 ( -0.877 -0.415 0.000) 0.970 2.193 ( -0.144 -2.732 0.000) 2.736 2.444 ( 17.843 -3.156 0.000) 18.120 2.664 ( -1.886 0.147 0.000) 1.892 2.739 ( 4.484 -0.962 0.000) 4.586 2.817 ( 13.285 0.433 0.000) 13.292 3.074 ( 4.644 -0.400 0.000) 4.661 3.187 ( 0.418 -0.701 0.000) 0.816 3.915 ( -3.693 -0.127 0.000) 3.695 4.163 ( 3.218 0.028 0.000) 3.218 4.191 ( 0.879 0.087 0.000) 0.883 4.247 ( -7.355 -0.855 0.000) 7.404 4.351 ( 1.629 0.443 0.000) 1.688 4.442 ( 3.005 0.176 0.000) 3.010 4.495 ( 3.788 0.045 0.000) 3.788 4.791 ( 2.442 0.559 0.000) 2.505 4.813 ( -0.993 -0.046 0.000) 0.994 4.882 ( 1.973 0.412 0.000) 2.015 5.057 ( -0.738 0.334 0.000) 0.810 5.328 ( 4.108 0.302 0.000) 4.119 5.393 ( -0.756 0.041 0.000) 0.757 5.446 ( -6.593 1.494 0.000) 6.760 5.898 ( -0.975 3.581 0.000) 3.712 6.082 ( -10.919 -1.453 0.000) 11.015 6.779 ( -2.538 -0.609 0.000) 2.610 6.957 ( 0.353 0.912 0.000) 0.978 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 0.199 0.153 0.000) 0.251 1.125 ( -2.462 -0.795 0.000) 2.587 1.409 ( 3.737 6.703 0.000) 7.674 1.587 ( 4.559 0.053 0.000) 4.559 1.632 ( 0.261 4.494 0.000) 4.502 1.667 ( -0.258 2.671 0.000) 2.683 1.860 ( 4.659 0.022 0.000) 4.659 1.885 ( 5.033 1.515 0.000) 5.256 2.018 ( 2.701 -3.631 0.000) 4.526 2.067 ( -1.504 -0.526 0.000) 1.594 2.153 ( 3.028 -2.281 0.000) 3.791 2.212 ( 1.468 -4.158 0.000) 4.409 2.625 ( -2.130 0.031 0.000) 2.131 2.759 ( 13.497 -0.661 0.000) 13.514 2.813 ( 3.025 -0.629 0.000) 3.090 3.032 ( 9.113 0.343 0.000) 9.120 3.106 ( -1.227 -1.135 0.000) 1.671 3.183 ( -0.970 -0.277 0.000) 1.008 3.839 ( -3.603 -0.007 0.000) 3.603 4.105 ( -6.315 -0.704 0.000) 6.354 4.214 ( 1.223 0.154 0.000) 1.232 4.232 ( 4.385 0.203 0.000) 4.390 4.393 ( 1.778 0.793 0.000) 1.946 4.470 ( -0.181 0.022 0.000) 0.182 4.596 ( 6.552 0.079 0.000) 6.552 4.800 ( -0.379 -0.069 0.000) 0.386 4.851 ( 3.928 0.147 0.000) 3.931 4.933 ( 3.140 0.311 0.000) 3.155 5.016 ( -3.242 0.374 0.000) 3.264 5.320 ( -6.099 0.531 0.000) 6.122 5.384 ( -0.339 -0.024 0.000) 0.340 5.408 ( 4.825 0.247 0.000) 4.831 5.848 ( -5.016 1.158 0.000) 5.148 5.900 ( -6.596 0.274 0.000) 6.602 6.742 ( -1.680 -0.465 0.000) 1.743 6.958 ( 0.163 0.702 0.000) 0.721 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.329 -0.278 0.000) 0.431 1.084 ( -1.607 -0.068 0.000) 1.608 1.374 ( -1.660 2.801 0.000) 3.256 1.635 ( 1.061 0.116 0.000) 1.068 1.654 ( -0.185 0.058 0.000) 0.194 1.673 ( 2.863 2.716 0.000) 3.946 1.934 ( 2.362 -0.048 0.000) 2.363 1.940 ( 1.543 0.643 0.000) 1.672 2.032 ( -1.169 -1.066 0.000) 1.583 2.048 ( -0.623 -0.235 0.000) 0.666 2.222 ( 2.542 -1.583 0.000) 2.995 2.268 ( 1.556 -1.643 0.000) 2.262 2.592 ( -1.034 -0.004 0.000) 1.034 2.852 ( 1.032 -0.176 0.000) 1.047 2.947 ( 5.931 1.167 0.000) 6.044 3.069 ( -2.381 -1.480 0.000) 2.804 3.146 ( 3.020 0.126 0.000) 3.022 3.161 ( -1.123 -0.202 0.000) 1.141 3.792 ( -1.279 0.018 0.000) 1.279 4.029 ( -2.022 -0.302 0.000) 2.045 4.229 ( 0.380 0.077 0.000) 0.388 4.321 ( 4.427 0.212 0.000) 4.432 4.410 ( 0.459 0.400 0.000) 0.608 4.438 ( -2.751 -0.108 0.000) 2.753 4.718 ( 5.366 0.121 0.000) 5.368 4.797 ( -0.066 -0.036 0.000) 0.075 4.892 ( -1.705 -0.204 0.000) 1.717 4.975 ( 1.276 0.272 0.000) 1.304 4.979 ( 1.243 0.118 0.000) 1.248 5.217 ( -3.943 0.102 0.000) 3.945 5.380 ( -0.105 -0.022 0.000) 0.107 5.521 ( 7.394 0.355 0.000) 7.402 5.684 ( -9.381 -0.523 0.000) 9.395 5.852 ( -0.616 0.778 0.000) 0.992 6.722 ( -0.582 -0.171 0.000) 0.607 6.957 ( 0.033 0.261 0.000) 0.263 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 18.539 -0.000 0.000) 18.539 0.701 ( 15.673 -0.000 0.000) 15.673 1.090 ( 7.174 -0.000 0.000) 7.174 1.157 ( 26.373 -0.000 0.000) 26.373 1.247 ( -3.419 0.000 0.000) 3.419 1.501 ( 7.152 -0.000 0.000) 7.152 1.576 ( 6.791 -0.000 0.000) 6.791 1.747 ( -0.532 0.000 0.000) 0.532 1.772 ( 7.557 -0.000 0.000) 7.557 1.902 ( 12.598 -0.000 0.000) 12.598 2.053 ( -4.378 0.000 0.000) 4.378 2.123 ( -2.236 0.000 0.000) 2.236 2.166 ( -0.198 0.000 0.000) 0.198 2.460 ( 2.259 -0.000 0.000) 2.259 2.502 ( 6.956 -0.000 0.000) 6.956 2.703 ( 12.661 -0.000 0.000) 12.661 2.717 ( -0.814 0.000 0.000) 0.814 3.172 ( -1.919 0.000 0.000) 1.919 3.871 ( 4.497 -0.000 0.000) 4.497 3.953 ( 8.583 -0.000 0.000) 8.583 4.057 ( 8.210 -0.000 0.000) 8.210 4.292 ( -4.434 0.000 0.000) 4.434 4.339 ( 0.995 -0.000 0.000) 0.995 4.484 ( -1.896 0.000 0.000) 1.896 4.667 ( -8.211 0.000 0.000) 8.211 4.716 ( 3.225 -0.000 0.000) 3.225 4.870 ( -1.757 0.000 0.000) 1.757 4.891 ( -1.693 0.000 0.000) 1.693 5.051 ( -0.459 0.000 0.000) 0.459 5.148 ( 5.033 -0.000 0.000) 5.033 5.444 ( -1.664 0.000 0.000) 1.664 5.735 ( -6.258 0.000 0.000) 6.258 5.976 ( 0.053 -0.000 0.000) 0.053 6.438 ( -8.337 0.000 0.000) 8.337 6.881 ( -2.754 0.000 0.000) 2.754 6.950 ( 0.477 -0.000 0.000) 0.477 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 8.045 -0.355 0.000) 8.053 1.004 ( 17.978 1.675 0.000) 18.056 1.191 ( -2.368 0.532 0.000) 2.427 1.253 ( 10.202 0.146 0.000) 10.203 1.556 ( 14.461 -1.143 0.000) 14.507 1.643 ( 7.677 -0.348 0.000) 7.685 1.708 ( 5.804 -0.490 0.000) 5.824 1.749 ( 0.875 -0.323 0.000) 0.933 1.916 ( 1.956 9.351 0.000) 9.553 2.000 ( 3.062 -7.183 0.000) 7.809 2.069 ( 4.177 0.031 0.000) 4.177 2.121 ( 5.337 -0.003 0.000) 5.337 2.168 ( 0.205 -0.847 0.000) 0.871 2.579 ( 10.731 0.086 0.000) 10.731 2.627 ( 6.035 -0.429 0.000) 6.051 2.697 ( -1.314 0.098 0.000) 1.318 2.928 ( 10.388 0.045 0.000) 10.388 3.162 ( 0.626 -0.357 0.000) 0.721 3.937 ( 1.639 -0.072 0.000) 1.641 4.088 ( 5.306 -0.046 0.000) 5.306 4.206 ( 6.931 -0.199 0.000) 6.934 4.211 ( -3.266 -0.005 0.000) 3.266 4.379 ( 3.256 0.076 0.000) 3.257 4.461 ( -0.325 0.261 0.000) 0.417 4.480 ( -10.480 -0.259 0.000) 10.483 4.763 ( 1.866 0.362 0.000) 1.901 4.837 ( -1.596 -0.014 0.000) 1.596 4.871 ( -0.265 0.079 0.000) 0.276 5.055 ( 0.697 -0.007 0.000) 0.697 5.246 ( 4.986 0.124 0.000) 4.987 5.415 ( -1.388 0.040 0.000) 1.389 5.601 ( -7.321 1.064 0.000) 7.398 5.962 ( -0.790 2.015 0.000) 2.165 6.262 ( -10.308 -1.107 0.000) 10.367 6.826 ( -2.967 -0.159 0.000) 2.971 6.959 ( 0.479 0.257 0.000) 0.544 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 1.494 0.292 0.000) 1.522 1.153 ( -1.815 -0.409 0.000) 1.860 1.303 ( 14.485 3.752 0.000) 14.963 1.450 ( 9.629 -0.038 0.000) 9.629 1.699 ( 1.248 1.444 0.000) 1.908 1.772 ( 3.841 1.547 0.000) 4.141 1.786 ( 2.941 -0.055 0.000) 2.941 1.802 ( -0.232 5.152 0.000) 5.157 1.854 ( 5.664 -3.720 0.000) 6.776 2.064 ( 2.153 -1.729 0.000) 2.762 2.088 ( -0.984 -0.235 0.000) 1.011 2.167 ( -0.902 -2.257 0.000) 2.430 2.420 ( 19.115 -1.789 0.000) 19.198 2.665 ( -1.954 0.082 0.000) 1.955 2.731 ( 4.666 -0.561 0.000) 4.700 2.820 ( 13.263 0.244 0.000) 13.266 3.070 ( 4.360 -0.225 0.000) 4.366 3.181 ( 0.705 -0.388 0.000) 0.804 3.914 ( -3.631 -0.073 0.000) 3.631 4.163 ( 3.308 0.016 0.000) 3.308 4.192 ( 0.906 0.049 0.000) 0.908 4.241 ( -7.288 -0.466 0.000) 7.303 4.355 ( 1.847 0.254 0.000) 1.865 4.444 ( 2.943 0.100 0.000) 2.945 4.495 ( 3.778 0.024 0.000) 3.778 4.795 ( 2.209 0.312 0.000) 2.231 4.812 ( -1.001 -0.026 0.000) 1.001 4.885 ( 1.958 0.237 0.000) 1.972 5.060 ( -0.685 0.162 0.000) 0.704 5.330 ( 4.073 0.167 0.000) 4.077 5.394 ( -0.793 0.023 0.000) 0.793 5.457 ( -7.255 0.781 0.000) 7.297 5.929 ( -1.535 2.532 0.000) 2.961 6.068 ( -10.676 -1.259 0.000) 10.750 6.775 ( -2.479 -0.319 0.000) 2.499 6.964 ( 0.266 0.490 0.000) 0.558 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.141 0.114 0.000) 0.181 1.118 ( -2.136 -0.566 0.000) 2.210 1.469 ( 3.241 5.292 0.000) 6.205 1.588 ( 4.681 0.034 0.000) 4.681 1.667 ( -1.836 2.467 0.000) 3.075 1.697 ( -0.694 3.194 0.000) 3.269 1.860 ( 4.593 0.021 0.000) 4.593 1.901 ( 4.907 1.772 0.000) 5.217 1.982 ( 3.830 -3.716 0.000) 5.336 2.063 ( -1.437 -0.377 0.000) 1.486 2.135 ( 3.374 -1.409 0.000) 3.656 2.171 ( 1.671 -3.899 0.000) 4.242 2.625 ( -2.166 0.022 0.000) 2.166 2.754 ( 14.703 -0.454 0.000) 14.710 2.808 ( 3.184 -0.450 0.000) 3.216 3.035 ( 9.021 0.242 0.000) 9.024 3.097 ( -1.371 -0.725 0.000) 1.551 3.180 ( -0.998 -0.257 0.000) 1.030 3.839 ( -3.567 -0.007 0.000) 3.567 4.099 ( -6.186 -0.502 0.000) 6.207 4.216 ( 1.205 0.114 0.000) 1.211 4.234 ( 4.444 0.141 0.000) 4.447 4.400 ( 1.755 0.567 0.000) 1.845 4.471 ( -0.257 0.016 0.000) 0.257 4.597 ( 6.585 0.054 0.000) 6.585 4.800 ( -0.379 -0.049 0.000) 0.382 4.852 ( 3.748 0.115 0.000) 3.750 4.936 ( 3.042 0.222 0.000) 3.050 5.019 ( -3.291 0.235 0.000) 3.299 5.325 ( -6.428 0.368 0.000) 6.439 5.383 ( -0.354 -0.017 0.000) 0.354 5.410 ( 4.848 0.164 0.000) 4.851 5.857 ( -8.080 0.732 0.000) 8.113 5.903 ( -4.031 0.307 0.000) 4.043 6.738 ( -1.555 -0.312 0.000) 1.586 6.964 ( -0.023 0.481 0.000) 0.481 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.626 0.015 0.000) 0.627 1.082 ( -1.607 -0.308 0.000) 1.636 1.405 ( -3.935 3.390 0.000) 5.194 1.636 ( 0.988 0.110 0.000) 0.995 1.644 ( -1.361 -1.317 0.000) 1.894 1.704 ( 1.118 3.011 0.000) 3.212 1.933 ( 2.390 -0.037 0.000) 2.390 1.945 ( 0.835 0.558 0.000) 1.004 2.018 ( -0.238 -1.721 0.000) 1.738 2.046 ( -0.410 -0.199 0.000) 0.455 2.209 ( 3.917 -1.072 0.000) 4.061 2.254 ( 3.336 -1.216 0.000) 3.551 2.592 ( -1.034 -0.002 0.000) 1.034 2.850 ( 1.232 -0.100 0.000) 1.236 2.959 ( 6.094 1.218 0.000) 6.214 3.056 ( -1.930 -1.120 0.000) 2.231 3.147 ( 2.900 0.105 0.000) 2.902 3.157 ( -1.181 -0.558 0.000) 1.306 3.792 ( -1.292 0.012 0.000) 1.292 4.026 ( -1.748 -0.256 0.000) 1.766 4.230 ( 0.314 0.067 0.000) 0.321 4.323 ( 4.337 0.174 0.000) 4.340 4.413 ( 0.115 0.353 0.000) 0.371 4.437 ( -2.753 -0.085 0.000) 2.755 4.719 ( 5.321 0.095 0.000) 5.321 4.797 ( -0.036 -0.034 0.000) 0.050 4.890 ( -1.618 -0.164 0.000) 1.626 4.977 ( 1.105 0.239 0.000) 1.131 4.980 ( 1.072 0.071 0.000) 1.074 5.218 ( -4.066 0.083 0.000) 4.067 5.379 ( -0.087 -0.018 0.000) 0.089 5.524 ( 7.452 0.286 0.000) 7.457 5.680 ( -9.316 -0.405 0.000) 9.325 5.859 ( -1.318 0.633 0.000) 1.462 6.720 ( -0.421 -0.138 0.000) 0.444 6.960 ( -0.212 0.213 0.000) 0.301 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -0.331 0.598 0.000) 0.683 1.083 ( 1.930 -0.279 0.000) 1.950 1.353 ( -0.946 -1.544 0.000) 1.811 1.625 ( -2.333 -4.045 0.000) 4.669 1.634 ( -1.153 -0.091 0.000) 1.156 1.671 ( -2.908 0.831 0.000) 3.024 1.933 ( -2.091 -0.705 0.000) 2.206 1.934 ( -2.330 0.048 0.000) 2.331 2.038 ( 1.915 0.341 0.000) 1.945 2.050 ( 0.848 0.217 0.000) 0.876 2.239 ( -1.053 1.795 0.000) 2.081 2.284 ( -0.059 1.546 0.000) 1.547 2.592 ( 1.035 0.004 0.000) 1.035 2.854 ( -0.829 0.248 0.000) 0.866 2.937 ( -5.872 -0.874 0.000) 5.937 3.084 ( 2.831 1.669 0.000) 3.286 3.145 ( -3.147 -0.118 0.000) 3.150 3.160 ( 1.224 -0.362 0.000) 1.276 3.792 ( 1.265 -0.021 0.000) 1.265 4.032 ( 2.310 0.277 0.000) 2.327 4.228 ( -0.451 -0.069 0.000) 0.457 4.319 ( -4.517 -0.202 0.000) 4.521 4.406 ( -0.830 -0.349 0.000) 0.900 4.439 ( 2.742 0.107 0.000) 2.744 4.717 ( -5.402 -0.120 0.000) 5.403 4.797 ( 0.099 0.030 0.000) 0.103 4.894 ( 1.810 0.196 0.000) 1.821 4.972 ( -1.497 -0.243 0.000) 1.517 4.978 ( -1.413 -0.140 0.000) 1.420 5.216 ( 3.812 -0.098 0.000) 3.813 5.380 ( 0.123 0.021 0.000) 0.125 5.518 ( -7.331 -0.343 0.000) 7.339 5.689 ( 9.503 0.532 0.000) 9.518 5.845 ( -0.184 -0.754 0.000) 0.776 6.723 ( 0.760 0.165 0.000) 0.778 6.955 ( -0.301 -0.249 0.000) 0.391 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.570 -0.156 0.000) 0.591 1.133 ( 2.814 0.840 0.000) 2.937 1.344 ( -4.597 -6.486 0.000) 7.949 1.585 ( -1.927 -4.830 0.000) 5.201 1.587 ( -4.411 -0.063 0.000) 4.411 1.644 ( -0.427 -2.095 0.000) 2.138 1.860 ( -4.737 -0.013 0.000) 4.737 1.872 ( -5.088 -1.280 0.000) 5.247 2.050 ( -0.999 2.848 0.000) 3.018 2.072 ( 1.586 0.551 0.000) 1.679 2.178 ( -3.214 2.807 0.000) 4.267 2.248 ( -1.587 3.245 0.000) 3.612 2.624 ( 2.086 -0.032 0.000) 2.087 2.766 ( -12.091 0.762 0.000) 12.115 2.820 ( -2.803 0.659 0.000) 2.879 3.029 ( -9.226 -0.367 0.000) 9.234 3.119 ( 0.934 1.372 0.000) 1.659 3.185 ( 1.098 0.152 0.000) 1.109 3.839 ( 3.647 0.004 0.000) 3.647 4.112 ( 6.479 0.740 0.000) 6.521 4.213 ( -1.233 -0.155 0.000) 1.243 4.230 ( -4.325 -0.222 0.000) 4.331 4.385 ( -1.812 -0.829 0.000) 1.992 4.470 ( 0.089 -0.021 0.000) 0.092 4.595 ( -6.520 -0.088 0.000) 6.520 4.801 ( 0.382 0.071 0.000) 0.388 4.849 ( -4.140 -0.136 0.000) 4.142 4.930 ( -3.245 -0.321 0.000) 3.261 5.012 ( 3.156 -0.461 0.000) 3.190 5.315 ( 5.695 -0.579 0.000) 5.724 5.384 ( 0.320 0.025 0.000) 0.321 5.405 ( -4.817 -0.281 0.000) 4.825 5.835 ( 2.234 -1.310 0.000) 2.590 5.898 ( 8.808 -0.166 0.000) 8.810 6.747 ( 1.852 0.530 0.000) 1.927 6.951 ( -0.408 -0.782 0.000) 0.882 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -0.992 -0.417 0.000) 1.077 1.164 ( 0.663 0.635 0.000) 0.918 1.197 ( -13.153 -5.996 0.000) 14.455 1.452 ( -9.817 0.121 0.000) 9.818 1.632 ( 0.542 -8.072 0.000) 8.090 1.658 ( 1.123 -3.618 0.000) 3.788 1.757 ( -7.035 -1.116 0.000) 7.123 1.788 ( -2.389 0.132 0.000) 2.393 1.960 ( -5.812 6.207 0.000) 8.503 2.096 ( 0.730 0.498 0.000) 0.883 2.101 ( -3.525 1.885 0.000) 3.997 2.215 ( -1.051 1.723 0.000) 2.018 2.479 ( -16.194 3.766 0.000) 16.626 2.663 ( 1.789 -0.179 0.000) 1.798 2.749 ( -4.271 1.101 0.000) 4.411 2.812 ( -13.314 -0.526 0.000) 13.324 3.078 ( -5.029 0.487 0.000) 5.053 3.195 ( -0.046 0.868 0.000) 0.869 3.916 ( 3.781 0.149 0.000) 3.784 4.162 ( -3.095 -0.033 0.000) 3.095 4.190 ( -0.836 -0.106 0.000) 0.843 4.257 ( 7.474 1.086 0.000) 7.553 4.346 ( -1.284 -0.518 0.000) 1.384 4.440 ( -3.092 -0.211 0.000) 3.100 4.494 ( -3.797 -0.060 0.000) 3.798 4.785 ( -2.820 -0.697 0.000) 2.905 4.813 ( 0.982 0.056 0.000) 0.983 4.878 ( -1.994 -0.473 0.000) 2.049 5.053 ( 0.808 -0.506 0.000) 0.953 5.324 ( -4.168 -0.370 0.000) 4.184 5.393 ( 0.705 -0.050 0.000) 0.707 5.429 ( 5.522 -1.997 0.000) 5.872 5.863 ( 0.324 -3.512 0.000) 3.527 6.095 ( 11.284 1.170 0.000) 11.345 6.787 ( 2.651 0.830 0.000) 2.778 6.947 ( -0.504 -1.195 0.000) 1.297 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -15.971 -3.381 0.000) 16.325 0.951 ( -6.082 1.504 0.000) 6.265 1.164 ( -0.188 -1.977 0.000) 1.986 1.245 ( -10.891 -0.695 0.000) 10.913 1.573 ( -8.188 -0.645 0.000) 8.213 1.653 ( -6.176 -0.971 0.000) 6.252 1.716 ( -0.524 -8.523 0.000) 8.539 1.766 ( 0.084 1.169 0.000) 1.172 1.766 ( -11.714 4.759 0.000) 12.644 2.044 ( -1.750 -0.585 0.000) 1.845 2.067 ( -4.798 -0.119 0.000) 4.799 2.176 ( -3.207 1.270 0.000) 3.449 2.199 ( -7.070 4.756 0.000) 8.521 2.575 ( -10.438 -0.332 0.000) 10.443 2.648 ( -5.788 1.402 0.000) 5.955 2.692 ( 1.148 -0.388 0.000) 1.212 2.926 ( -10.664 -0.115 0.000) 10.665 3.180 ( -0.439 1.319 0.000) 1.390 3.941 ( -1.591 0.278 0.000) 1.615 4.090 ( -5.228 0.174 0.000) 5.231 4.211 ( 3.363 0.018 0.000) 3.363 4.217 ( -6.625 0.932 0.000) 6.690 4.375 ( -3.231 -0.293 0.000) 3.244 4.453 ( 1.293 -0.313 0.000) 1.330 4.489 ( 9.100 0.553 0.000) 9.117 4.742 ( -2.619 -1.747 0.000) 3.148 4.838 ( 1.617 0.051 0.000) 1.617 4.867 ( 0.529 -0.308 0.000) 0.612 5.055 ( -0.312 -0.015 0.000) 0.312 5.239 ( -5.148 -0.536 0.000) 5.175 5.412 ( 1.309 -0.160 0.000) 1.319 5.537 ( 3.706 -5.426 0.000) 6.571 5.886 ( 0.085 -4.207 0.000) 4.208 6.303 ( 11.545 2.255 0.000) 11.763 6.835 ( 2.775 0.767 0.000) 2.879 6.945 ( -0.292 -1.150 0.000) 1.186 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -15.856 0.434 0.000) 15.862 0.732 ( -15.071 3.032 0.000) 15.373 1.081 ( -7.036 -0.932 0.000) 7.097 1.200 ( 2.290 -4.398 0.000) 4.958 1.258 ( -23.750 8.070 0.000) 25.084 1.488 ( -7.217 -1.072 0.000) 7.296 1.596 ( -6.252 1.462 0.000) 6.420 1.706 ( -4.018 -5.406 0.000) 6.735 1.767 ( 0.373 1.845 0.000) 1.882 1.896 ( -12.225 -0.607 0.000) 12.240 2.034 ( -0.167 -2.963 0.000) 2.968 2.142 ( 2.974 2.402 0.000) 3.823 2.158 ( -0.331 -0.727 0.000) 0.799 2.461 ( -2.160 0.055 0.000) 2.161 2.520 ( -6.756 1.543 0.000) 6.930 2.699 ( -12.742 -0.357 0.000) 12.747 2.711 ( 0.717 -0.537 0.000) 0.896 3.184 ( 1.815 1.189 0.000) 2.170 3.874 ( -4.521 0.252 0.000) 4.528 3.954 ( -8.610 0.155 0.000) 8.611 4.065 ( -8.390 0.880 0.000) 8.436 4.293 ( 4.450 0.097 0.000) 4.451 4.338 ( -0.873 -0.107 0.000) 0.880 4.473 ( 0.796 -1.171 0.000) 1.416 4.637 ( 2.031 -2.765 0.000) 3.431 4.716 ( 1.612 -0.100 0.000) 1.615 4.871 ( 1.799 0.098 0.000) 1.801 4.893 ( 2.001 0.223 0.000) 2.013 5.054 ( 0.334 0.329 0.000) 0.469 5.141 ( -5.224 -0.710 0.000) 5.272 5.442 ( 1.627 -0.227 0.000) 1.642 5.603 ( -2.246 -12.999 0.000) 13.192 5.909 ( 0.605 -2.871 0.000) 2.934 6.503 ( 11.101 4.258 0.000) 11.890 6.878 ( 1.764 -0.302 0.000) 1.789 6.949 ( 0.531 -0.019 0.000) 0.532 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( -13.003 6.393 0.000) 14.489 0.397 ( -17.832 3.668 0.000) 18.205 0.717 ( -26.621 12.670 0.000) 29.482 0.978 ( -4.141 -0.403 0.000) 4.160 1.288 ( 4.643 -4.742 0.000) 6.637 1.384 ( -4.242 0.064 0.000) 4.242 1.492 ( -3.430 1.638 0.000) 3.801 1.638 ( -12.111 -1.551 0.000) 12.210 1.639 ( -4.289 -2.724 0.000) 5.081 1.788 ( 0.547 2.925 0.000) 2.975 2.077 ( 2.664 -5.185 0.000) 5.829 2.175 ( 1.900 -0.339 0.000) 1.930 2.219 ( 6.181 3.908 0.000) 7.313 2.393 ( -5.136 1.912 0.000) 5.480 2.451 ( 0.355 0.083 0.000) 0.364 2.480 ( -9.691 -0.290 0.000) 9.696 2.724 ( 0.392 -0.538 0.000) 0.665 3.232 ( 3.156 0.757 0.000) 3.245 3.794 ( -3.336 0.140 0.000) 3.339 3.799 ( -6.757 0.105 0.000) 6.758 3.917 ( -6.336 0.177 0.000) 6.338 4.332 ( 0.030 0.044 0.000) 0.053 4.360 ( 2.535 0.094 0.000) 2.537 4.452 ( -8.445 -9.990 0.000) 13.082 4.625 ( -1.208 -2.558 0.000) 2.829 4.773 ( 1.935 0.575 0.000) 2.019 4.900 ( 1.204 0.139 0.000) 1.212 4.925 ( 0.898 0.148 0.000) 0.910 5.037 ( -4.432 -3.689 0.000) 5.767 5.084 ( -0.218 0.641 0.000) 0.677 5.471 ( 1.151 -0.220 0.000) 1.172 5.534 ( -17.488 -26.582 0.000) 31.819 5.936 ( 1.339 -0.364 0.000) 1.388 6.683 ( 11.693 8.094 0.000) 14.221 6.904 ( 0.486 -1.837 0.000) 1.900 6.961 ( 0.931 1.604 0.000) 1.855 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.095 ( -0.000 9.628 0.000) 9.628 0.159 ( -0.000 16.223 0.000) 16.223 0.241 ( -0.000 24.549 0.000) 24.549 0.938 ( 0.000 -0.134 0.000) 0.134 1.338 ( -0.000 0.535 0.000) 0.535 1.399 ( 0.000 -4.984 0.000) 4.984 1.456 ( -0.000 1.131 0.000) 1.131 1.479 ( 0.000 -0.011 0.000) 0.011 1.595 ( 0.000 -1.641 0.000) 1.641 1.782 ( -0.000 2.465 0.000) 2.465 2.174 ( 0.000 -6.876 0.000) 6.876 2.206 ( 0.000 -0.632 0.000) 0.632 2.296 ( -0.000 4.190 0.000) 4.190 2.354 ( -0.000 0.160 0.000) 0.160 2.456 ( -0.000 0.051 0.000) 0.051 2.597 ( 0.000 -2.961 0.000) 2.961 2.731 ( 0.000 -0.400 0.000) 0.400 3.272 ( -0.000 0.252 0.000) 0.252 3.730 ( -0.000 0.072 0.000) 0.072 3.745 ( -0.000 0.127 0.000) 0.127 3.760 ( -0.000 0.071 0.000) 0.071 3.853 ( -0.000 0.090 0.000) 0.090 4.333 ( -0.000 0.065 0.000) 0.065 4.384 ( -0.000 0.062 0.000) 0.062 4.634 ( -0.000 0.226 0.000) 0.226 4.783 ( -0.000 0.038 0.000) 0.038 4.832 ( -0.000 0.070 0.000) 0.070 4.911 ( -0.000 0.116 0.000) 0.116 4.940 ( -0.000 0.116 0.000) 0.116 5.081 ( -0.000 0.661 0.000) 0.661 5.259 ( 0.000 -1.922 0.000) 1.922 5.483 ( 0.000 -0.159 0.000) 0.159 5.952 ( -0.000 0.239 0.000) 0.239 6.875 ( -0.000 0.015 0.000) 0.015 6.918 ( 0.000 -2.296 0.000) 2.296 6.962 ( -0.000 2.139 0.000) 2.139 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 1.586 -0.000 0.000) 1.586 1.150 ( -2.003 0.000 0.000) 2.003 1.323 ( 14.609 -0.000 0.000) 14.609 1.450 ( 9.599 -0.000 0.000) 9.599 1.706 ( 1.295 -0.000 0.000) 1.295 1.779 ( 5.612 -0.000 0.000) 5.612 1.786 ( 3.024 -0.000 0.000) 3.024 1.825 ( 8.103 -0.000 0.000) 8.103 1.840 ( -4.836 0.000 0.000) 4.836 2.054 ( 2.170 -0.000 0.000) 2.170 2.087 ( -1.023 0.000 0.000) 1.023 2.155 ( -1.160 0.000 0.000) 1.160 2.411 ( 19.588 -0.000 0.000) 19.588 2.666 ( -1.978 0.000 0.000) 1.978 2.728 ( 4.739 -0.000 0.000) 4.739 2.821 ( 13.255 -0.000 0.000) 13.255 3.069 ( 4.256 -0.000 0.000) 4.256 3.180 ( 0.812 -0.000 0.000) 0.812 3.913 ( -3.608 0.000 0.000) 3.608 4.163 ( 3.341 -0.000 0.000) 3.341 4.192 ( 0.916 -0.000 0.000) 0.916 4.238 ( -7.268 0.000 0.000) 7.268 4.356 ( 1.922 -0.000 0.000) 1.922 4.444 ( 2.921 -0.000 0.000) 2.921 4.495 ( 3.774 -0.000 0.000) 3.774 4.797 ( 2.131 -0.000 0.000) 2.131 4.812 ( -1.004 0.000 0.000) 1.004 4.887 ( 1.953 -0.000 0.000) 1.953 5.060 ( -0.666 0.000 0.000) 0.666 5.331 ( 4.062 -0.000 0.000) 4.062 5.394 ( -0.806 0.000 0.000) 0.806 5.461 ( -7.474 0.000 0.000) 7.474 5.942 ( -1.703 0.000 0.000) 1.703 6.061 ( -10.645 0.000 0.000) 10.645 6.773 ( -2.460 0.000 0.000) 2.460 6.967 ( 0.238 -0.000 0.000) 0.238 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.350 0.042 0.000) 0.352 1.115 ( -1.935 -0.205 0.000) 1.946 1.506 ( 3.030 2.072 0.000) 3.670 1.588 ( 4.749 0.012 0.000) 4.749 1.682 ( -2.519 0.753 0.000) 2.629 1.721 ( -1.773 1.463 0.000) 2.298 1.860 ( 4.556 0.009 0.000) 4.556 1.920 ( 5.138 2.038 0.000) 5.527 1.949 ( 3.823 -2.839 0.000) 4.761 2.060 ( -1.399 -0.137 0.000) 1.405 2.127 ( 4.881 -0.240 0.000) 4.887 2.141 ( 1.106 -1.924 0.000) 2.219 2.625 ( -2.186 0.008 0.000) 2.186 2.750 ( 15.396 -0.163 0.000) 15.396 2.805 ( 3.263 -0.163 0.000) 3.267 3.037 ( 8.969 0.087 0.000) 8.970 3.092 ( -1.417 -0.246 0.000) 1.438 3.178 ( -1.061 -0.104 0.000) 1.066 3.839 ( -3.547 -0.003 0.000) 3.547 4.095 ( -6.117 -0.182 0.000) 6.119 4.217 ( 1.192 0.042 0.000) 1.193 4.235 ( 4.482 0.050 0.000) 4.482 4.404 ( 1.744 0.206 0.000) 1.756 4.471 ( -0.299 0.006 0.000) 0.299 4.597 ( 6.605 0.019 0.000) 6.605 4.799 ( -0.379 -0.018 0.000) 0.379 4.853 ( 3.645 0.044 0.000) 3.645 4.937 ( 2.984 0.080 0.000) 2.985 5.021 ( -3.311 0.079 0.000) 3.312 5.327 ( -6.613 0.131 0.000) 6.614 5.383 ( -0.363 -0.006 0.000) 0.363 5.411 ( 4.869 0.057 0.000) 4.869 5.862 ( -10.053 0.238 0.000) 10.056 5.905 ( -2.348 0.141 0.000) 2.352 6.736 ( -1.490 -0.109 0.000) 1.494 6.967 ( -0.121 0.170 0.000) 0.209 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 1.037 0.121 0.000) 1.044 1.079 ( -1.811 -0.288 0.000) 1.834 1.436 ( -5.476 2.545 0.000) 6.038 1.632 ( -2.773 -1.113 0.000) 2.989 1.637 ( 0.944 0.068 0.000) 0.947 1.727 ( 0.106 1.651 0.000) 1.655 1.933 ( 2.408 -0.020 0.000) 2.408 1.951 ( -0.067 0.492 0.000) 0.497 2.001 ( 1.007 -1.540 0.000) 1.840 2.044 ( -0.258 -0.114 0.000) 0.282 2.201 ( 4.881 -0.495 0.000) 4.906 2.245 ( 4.732 -0.603 0.000) 4.770 2.592 ( -1.034 -0.001 0.000) 1.034 2.850 ( 1.387 -0.044 0.000) 1.388 2.969 ( 6.320 0.823 0.000) 6.374 3.047 ( -1.594 -0.608 0.000) 1.706 3.148 ( 2.816 0.059 0.000) 2.817 3.151 ( -1.360 -0.485 0.000) 1.444 3.792 ( -1.301 0.005 0.000) 1.301 4.024 ( -1.551 -0.146 0.000) 1.558 4.230 ( 0.266 0.039 0.000) 0.269 4.324 ( 4.270 0.097 0.000) 4.271 4.416 ( -0.125 0.208 0.000) 0.243 4.436 ( -2.751 -0.046 0.000) 2.752 4.720 ( 5.280 0.051 0.000) 5.281 4.796 ( -0.016 -0.021 0.000) 0.026 4.889 ( -1.563 -0.090 0.000) 1.565 4.979 ( 1.038 0.155 0.000) 1.049 4.980 ( 0.913 0.014 0.000) 0.913 5.218 ( -4.151 0.046 0.000) 4.152 5.379 ( -0.075 -0.010 0.000) 0.076 5.527 ( 7.491 0.158 0.000) 7.492 5.677 ( -9.291 -0.219 0.000) 9.294 5.864 ( -1.794 0.353 0.000) 1.829 6.719 ( -0.311 -0.077 0.000) 0.321 6.961 ( -0.383 0.119 0.000) 0.401 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.759 0.740 0.000) 1.060 1.079 ( 2.630 -0.520 0.000) 2.681 1.344 ( -3.366 -0.397 0.000) 3.389 1.588 ( -3.157 -3.351 0.000) 4.604 1.634 ( -1.239 -0.054 0.000) 1.240 1.678 ( -3.767 0.643 0.000) 3.821 1.927 ( -2.441 -0.583 0.000) 2.510 1.934 ( -2.302 0.035 0.000) 2.302 2.040 ( 2.538 -0.027 0.000) 2.538 2.052 ( 1.034 0.152 0.000) 1.045 2.255 ( 0.237 1.521 0.000) 1.539 2.296 ( 0.785 0.945 0.000) 1.228 2.592 ( 1.035 0.003 0.000) 1.035 2.856 ( -0.645 0.243 0.000) 0.690 2.930 ( -5.890 -0.517 0.000) 5.913 3.100 ( 3.211 1.635 0.000) 3.603 3.144 ( -3.254 -0.083 0.000) 3.255 3.154 ( 1.365 -0.850 0.000) 1.608 3.792 ( 1.254 -0.017 0.000) 1.254 4.034 ( 2.545 0.191 0.000) 2.552 4.228 ( -0.510 -0.047 0.000) 0.512 4.317 ( -4.587 -0.144 0.000) 4.590 4.403 ( -1.142 -0.231 0.000) 1.165 4.440 ( 2.730 0.079 0.000) 2.731 4.716 ( -5.422 -0.088 0.000) 5.422 4.797 ( 0.127 0.019 0.000) 0.128 4.896 ( 1.911 0.139 0.000) 1.916 4.970 ( -1.709 -0.161 0.000) 1.717 4.977 ( -1.553 -0.118 0.000) 1.557 5.215 ( 3.701 -0.070 0.000) 3.702 5.380 ( 0.138 0.015 0.000) 0.139 5.515 ( -7.278 -0.248 0.000) 7.282 5.694 ( 9.666 0.405 0.000) 9.675 5.838 ( -0.907 -0.552 0.000) 1.061 6.725 ( 0.914 0.120 0.000) 0.922 6.953 ( -0.530 -0.179 0.000) 0.559 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -0.890 -0.124 0.000) 0.899 1.141 ( 3.116 0.695 0.000) 3.192 1.287 ( -5.673 -5.034 0.000) 7.585 1.542 ( -2.671 -3.874 0.000) 4.706 1.586 ( -4.270 -0.058 0.000) 4.271 1.627 ( -1.406 -1.501 0.000) 2.057 1.860 ( -4.810 -0.003 0.000) 4.810 1.861 ( -5.060 -0.955 0.000) 5.149 2.073 ( 0.638 1.820 0.000) 1.929 2.077 ( 1.662 0.451 0.000) 1.722 2.206 ( -3.530 2.785 0.000) 4.496 2.273 ( -1.983 1.821 0.000) 2.692 2.624 ( 2.044 -0.027 0.000) 2.045 2.773 ( -10.824 0.705 0.000) 10.847 2.826 ( -2.568 0.539 0.000) 2.624 3.025 ( -9.335 -0.306 0.000) 9.340 3.132 ( 0.467 1.327 0.000) 1.406 3.185 ( 1.465 -0.052 0.000) 1.466 3.839 ( 3.688 0.000 0.000) 3.688 4.118 ( 6.644 0.606 0.000) 6.672 4.212 ( -1.230 -0.121 0.000) 1.236 4.228 ( -4.283 -0.190 0.000) 4.287 4.377 ( -1.850 -0.675 0.000) 1.970 4.470 ( 0.003 -0.016 0.000) 0.016 4.595 ( -6.496 -0.077 0.000) 6.497 4.802 ( 0.386 0.058 0.000) 0.390 4.848 ( -4.335 -0.098 0.000) 4.337 4.927 ( -3.327 -0.253 0.000) 3.337 5.008 ( 3.039 -0.441 0.000) 3.071 5.309 ( 5.306 -0.491 0.000) 5.329 5.384 ( 0.303 0.021 0.000) 0.304 5.403 ( -4.827 -0.249 0.000) 4.834 5.823 ( 0.349 -1.108 0.000) 1.162 5.897 ( 10.187 -0.079 0.000) 10.188 6.752 ( 2.043 0.474 0.000) 2.098 6.943 ( -0.668 -0.682 0.000) 0.955 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -0.724 -0.301 0.000) 0.784 1.143 ( -11.752 -4.937 0.000) 12.747 1.170 ( -0.020 0.485 0.000) 0.486 1.453 ( -9.920 0.139 0.000) 9.921 1.552 ( -0.060 -7.648 0.000) 7.649 1.629 ( 0.185 -2.657 0.000) 2.663 1.747 ( -7.050 -0.934 0.000) 7.112 1.789 ( -2.047 0.134 0.000) 2.051 2.019 ( -4.631 5.781 0.000) 7.407 2.100 ( 0.578 0.466 0.000) 0.743 2.118 ( -4.298 1.631 0.000) 4.597 2.225 ( -2.454 0.308 0.000) 2.473 2.515 ( -14.672 3.493 0.000) 15.082 2.661 ( 1.685 -0.171 0.000) 1.693 2.759 ( -4.097 0.970 0.000) 4.210 2.807 ( -13.343 -0.499 0.000) 13.352 3.083 ( -5.418 0.466 0.000) 5.438 3.203 ( 0.307 0.837 0.000) 0.892 3.917 ( 3.874 0.137 0.000) 3.877 4.162 ( -2.969 -0.030 0.000) 2.969 4.189 ( -0.786 -0.101 0.000) 0.793 4.268 ( 7.614 1.082 0.000) 7.691 4.342 ( -0.831 -0.462 0.000) 0.951 4.438 ( -3.186 -0.197 0.000) 3.192 4.494 ( -3.800 -0.062 0.000) 3.801 4.778 ( -3.306 -0.695 0.000) 3.378 4.814 ( 0.970 0.053 0.000) 0.971 4.873 ( -2.014 -0.402 0.000) 2.054 5.047 ( 0.867 -0.614 0.000) 1.062 5.321 ( -4.248 -0.342 0.000) 4.262 5.393 ( 0.650 -0.046 0.000) 0.651 5.409 ( 4.225 -2.077 0.000) 4.708 5.832 ( -0.107 -2.777 0.000) 2.779 6.104 ( 11.615 0.803 0.000) 11.643 6.795 ( 2.831 0.920 0.000) 2.977 6.935 ( -0.724 -1.263 0.000) 1.456 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -13.422 -1.375 0.000) 13.492 0.967 ( -4.268 1.728 0.000) 4.604 1.144 ( -2.140 -2.045 0.000) 2.960 1.237 ( -11.656 -0.862 0.000) 11.688 1.552 ( -5.317 -4.626 0.000) 7.048 1.617 ( -5.412 -5.275 0.000) 7.557 1.656 ( -1.740 -3.069 0.000) 3.527 1.777 ( 0.716 1.181 0.000) 1.381 1.830 ( -11.994 7.324 0.000) 14.053 2.041 ( -3.090 0.047 0.000) 3.090 2.066 ( -5.281 -0.126 0.000) 5.283 2.174 ( -3.038 -1.162 0.000) 3.253 2.252 ( -8.596 5.179 0.000) 10.036 2.571 ( -10.207 -0.347 0.000) 10.213 2.661 ( -5.683 1.313 0.000) 5.833 2.688 ( 1.018 -0.418 0.000) 1.101 2.925 ( -10.877 -0.079 0.000) 10.877 3.193 ( -0.315 1.344 0.000) 1.380 3.944 ( -1.553 0.292 0.000) 1.580 4.092 ( -5.169 0.182 0.000) 5.173 4.211 ( 3.435 0.018 0.000) 3.435 4.227 ( -6.234 1.120 0.000) 6.334 4.372 ( -3.208 -0.308 0.000) 3.223 4.451 ( 0.867 -0.017 0.000) 0.867 4.495 ( 9.285 0.643 0.000) 9.307 4.722 ( -3.478 -2.318 0.000) 4.180 4.838 ( 1.631 0.052 0.000) 1.632 4.864 ( 0.718 -0.319 0.000) 0.786 5.055 ( 0.067 -0.081 0.000) 0.104 5.234 ( -5.291 -0.601 0.000) 5.325 5.411 ( 1.245 -0.172 0.000) 1.257 5.479 ( 0.486 -6.386 0.000) 6.404 5.851 ( 0.752 -2.892 0.000) 2.988 6.323 ( 12.073 1.718 0.000) 12.194 6.844 ( 2.599 1.038 0.000) 2.799 6.932 ( -0.117 -1.442 0.000) 1.446 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -11.753 4.538 0.000) 12.599 0.767 ( -14.584 3.997 0.000) 15.122 1.069 ( -6.903 -1.420 0.000) 7.048 1.152 ( 1.287 -5.180 0.000) 5.337 1.329 ( -21.028 5.461 0.000) 21.725 1.477 ( -6.828 -1.149 0.000) 6.924 1.606 ( -5.119 0.344 0.000) 5.130 1.661 ( -3.431 -2.834 0.000) 4.450 1.787 ( 0.104 2.040 0.000) 2.043 1.889 ( -11.846 -0.816 0.000) 11.874 2.000 ( -2.214 -3.832 0.000) 4.425 2.147 ( 0.220 -1.143 0.000) 1.164 2.169 ( 1.021 2.621 0.000) 2.813 2.461 ( -2.056 0.071 0.000) 2.057 2.535 ( -6.666 1.539 0.000) 6.842 2.695 ( -12.842 -0.408 0.000) 12.848 2.705 ( 0.615 -0.657 0.000) 0.899 3.197 ( 1.717 1.380 0.000) 2.203 3.876 ( -4.546 0.304 0.000) 4.556 3.956 ( -8.638 0.180 0.000) 8.640 4.076 ( -8.554 1.385 0.000) 8.665 4.294 ( 4.467 0.112 0.000) 4.468 4.337 ( -0.749 -0.121 0.000) 0.759 4.458 ( -1.326 -2.002 0.000) 2.402 4.608 ( -0.922 -3.037 0.000) 3.174 4.714 ( 3.969 -0.317 0.000) 3.982 4.872 ( 1.841 0.115 0.000) 1.844 4.896 ( 2.364 0.307 0.000) 2.384 5.058 ( 0.199 0.511 0.000) 0.548 5.133 ( -5.267 -0.863 0.000) 5.338 5.440 ( 1.584 -0.283 0.000) 1.609 5.468 ( -7.315 -13.798 0.000) 15.617 5.890 ( 2.245 -1.167 0.000) 2.530 6.539 ( 11.929 3.116 0.000) 12.329 6.875 ( 0.791 -0.421 0.000) 0.896 6.949 ( 1.525 0.043 0.000) 1.526 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -16.520 4.906 0.000) 17.233 0.443 ( -7.042 12.242 0.000) 14.122 0.848 ( -22.339 13.545 0.000) 26.125 0.972 ( -3.979 -0.829 0.000) 4.064 1.233 ( 4.053 -6.342 0.000) 7.526 1.386 ( -3.486 0.350 0.000) 3.504 1.512 ( -3.351 2.371 0.000) 4.105 1.606 ( -4.151 -3.966 0.000) 5.741 1.624 ( -12.032 -1.183 0.000) 12.090 1.816 ( 0.762 2.797 0.000) 2.899 2.018 ( 1.893 -6.612 0.000) 6.877 2.170 ( 1.635 -0.801 0.000) 1.821 2.251 ( 8.515 2.308 0.000) 8.822 2.412 ( -4.796 1.770 0.000) 5.113 2.452 ( 0.352 0.130 0.000) 0.376 2.477 ( -9.524 -0.434 0.000) 9.533 2.718 ( 0.347 -0.766 0.000) 0.841 3.240 ( 3.006 1.022 0.000) 3.175 3.796 ( -3.404 0.198 0.000) 3.410 3.800 ( -6.735 0.145 0.000) 6.737 3.919 ( -6.726 0.385 0.000) 6.737 4.329 ( -20.236 -13.969 0.000) 24.589 4.333 ( 0.097 0.080 0.000) 0.126 4.361 ( 2.525 0.114 0.000) 2.528 4.608 ( 1.315 -0.855 0.000) 1.568 4.778 ( 1.624 0.360 0.000) 1.663 4.901 ( 1.235 0.193 0.000) 1.250 4.927 ( 0.135 0.271 0.000) 0.303 5.002 ( -7.641 -3.144 0.000) 8.262 5.092 ( 0.342 0.931 0.000) 0.992 5.330 ( -13.618 -15.521 0.000) 20.648 5.468 ( 1.135 -0.324 0.000) 1.180 5.936 ( 2.055 0.200 0.000) 2.065 6.740 ( 11.123 3.996 0.000) 11.820 6.886 ( 0.031 -1.783 0.000) 1.783 6.976 ( 1.402 1.466 0.000) 2.028 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.186 ( -0.000 8.937 0.000) 8.937 0.314 ( -0.000 15.478 0.000) 15.478 0.476 ( -0.000 23.562 0.000) 23.562 0.935 ( 0.000 -0.414 0.000) 0.414 1.336 ( 0.000 -7.591 0.000) 7.591 1.346 ( -0.000 0.964 0.000) 0.964 1.472 ( -0.000 2.112 0.000) 2.112 1.479 ( 0.000 -0.019 0.000) 0.019 1.571 ( 0.000 -3.134 0.000) 3.134 1.811 ( -0.000 3.146 0.000) 3.146 2.101 ( 0.000 -8.024 0.000) 8.024 2.198 ( 0.000 -1.107 0.000) 1.107 2.331 ( -0.000 3.031 0.000) 3.031 2.356 ( -0.000 0.260 0.000) 0.260 2.457 ( -0.000 0.104 0.000) 0.104 2.555 ( 0.000 -5.555 0.000) 5.555 2.725 ( 0.000 -0.713 0.000) 0.713 3.275 ( -0.000 0.481 0.000) 0.481 3.731 ( -0.000 0.128 0.000) 0.128 3.747 ( -0.000 0.225 0.000) 0.225 3.761 ( -0.000 0.125 0.000) 0.125 3.854 ( -0.000 0.158 0.000) 0.158 4.334 ( -0.000 0.127 0.000) 0.127 4.385 ( -0.000 0.098 0.000) 0.098 4.637 ( -0.000 0.537 0.000) 0.537 4.783 ( -0.000 0.068 0.000) 0.068 4.833 ( -0.000 0.122 0.000) 0.122 4.913 ( -0.000 0.204 0.000) 0.204 4.942 ( -0.000 0.202 0.000) 0.202 5.090 ( -0.000 1.140 0.000) 1.140 5.233 ( 0.000 -3.526 0.000) 3.526 5.481 ( 0.000 -0.294 0.000) 0.294 5.956 ( -0.000 0.420 0.000) 0.420 6.875 ( -0.000 0.028 0.000) 0.028 6.896 ( 0.000 -2.209 0.000) 2.209 6.982 ( -0.000 1.941 0.000) 1.941 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 1.246 -0.000 0.000) 1.246 1.078 ( -1.946 0.000 0.000) 1.946 1.449 ( -6.018 0.000 0.000) 6.018 1.625 ( -3.378 0.000 0.000) 3.378 1.638 ( 0.930 -0.000 0.000) 0.930 1.735 ( -0.253 0.000 0.000) 0.253 1.933 ( 2.414 -0.000 0.000) 2.414 1.954 ( -0.756 0.000 0.000) 0.756 1.992 ( 1.891 -0.000 0.000) 1.891 2.044 ( -0.203 0.000 0.000) 0.203 2.199 ( 5.228 -0.000 0.000) 5.228 2.242 ( 5.247 -0.000 0.000) 5.247 2.592 ( -1.034 0.000 0.000) 1.034 2.849 ( 1.446 -0.000 0.000) 1.446 2.973 ( 6.439 -0.000 0.000) 6.439 3.044 ( -1.471 0.000 0.000) 1.471 3.148 ( 2.786 -0.000 0.000) 2.786 3.149 ( -1.466 0.000 0.000) 1.466 3.792 ( -1.304 0.000 0.000) 1.304 4.023 ( -1.480 0.000 0.000) 1.480 4.230 ( 0.249 -0.000 0.000) 0.249 4.325 ( 4.245 -0.000 0.000) 4.245 4.417 ( -0.211 0.000 0.000) 0.211 4.436 ( -2.750 0.000 0.000) 2.750 4.720 ( 5.264 -0.000 0.000) 5.264 4.796 ( -0.008 0.000 0.000) 0.008 4.889 ( -1.544 0.000 0.000) 1.544 4.980 ( 1.174 -0.000 0.000) 1.174 4.980 ( 0.698 -0.000 0.000) 0.698 5.219 ( -4.182 0.000 0.000) 4.182 5.379 ( -0.070 0.000 0.000) 0.070 5.527 ( 7.504 -0.000 0.000) 7.504 5.675 ( -9.285 0.000 0.000) 9.285 5.866 ( -1.962 0.000 0.000) 1.962 6.719 ( -0.272 0.000 0.000) 0.272 6.962 ( -0.444 0.000 0.000) 0.444 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -1.554 0.405 0.000) 1.606 1.075 ( 3.580 -0.327 0.000) 3.595 1.343 ( -4.926 0.033 0.000) 4.926 1.564 ( -3.337 -1.335 0.000) 3.594 1.633 ( -1.292 -0.017 0.000) 1.292 1.683 ( -4.293 0.235 0.000) 4.299 1.922 ( -2.596 -0.230 0.000) 2.606 1.935 ( -2.285 0.013 0.000) 2.285 2.039 ( 2.910 -0.052 0.000) 2.910 2.053 ( 1.139 0.054 0.000) 1.140 2.266 ( 1.049 0.630 0.000) 1.224 2.302 ( 1.042 0.269 0.000) 1.076 2.592 ( 1.035 0.001 0.000) 1.035 2.858 ( -0.521 0.105 0.000) 0.532 2.927 ( -5.929 -0.169 0.000) 5.932 3.114 ( 3.622 0.969 0.000) 3.750 3.143 ( -3.315 -0.030 0.000) 3.315 3.145 ( 1.267 -0.713 0.000) 1.454 3.791 ( 1.248 -0.007 0.000) 1.248 4.035 ( 2.675 0.067 0.000) 2.676 4.227 ( -0.543 -0.017 0.000) 0.543 4.316 ( -4.626 -0.052 0.000) 4.626 4.402 ( -1.319 -0.080 0.000) 1.321 4.441 ( 2.721 0.029 0.000) 2.721 4.715 ( -5.429 -0.033 0.000) 5.429 4.798 ( 0.143 0.006 0.000) 0.143 4.897 ( 1.973 0.050 0.000) 1.973 4.969 ( -1.841 -0.055 0.000) 1.842 4.976 ( -1.630 -0.047 0.000) 1.631 5.215 ( 3.639 -0.026 0.000) 3.639 5.380 ( 0.147 0.005 0.000) 0.147 5.513 ( -7.249 -0.091 0.000) 7.249 5.697 ( 9.793 0.153 0.000) 9.794 5.835 ( -1.348 -0.203 0.000) 1.364 6.726 ( 1.004 0.044 0.000) 1.005 6.951 ( -0.662 -0.065 0.000) 0.665 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -1.104 -0.068 0.000) 1.106 1.146 ( 3.315 0.392 0.000) 3.338 1.248 ( -6.595 -2.737 0.000) 7.140 1.512 ( -2.901 -2.143 0.000) 3.607 1.585 ( -4.171 -0.035 0.000) 4.171 1.615 ( -2.176 -0.781 0.000) 2.312 1.854 ( -5.006 -0.515 0.000) 5.032 1.860 ( -4.861 0.001 0.000) 4.861 2.081 ( 1.716 0.253 0.000) 1.734 2.086 ( 1.724 0.861 0.000) 1.927 2.230 ( -3.708 1.918 0.000) 4.175 2.284 ( -2.385 0.544 0.000) 2.447 2.624 ( 2.014 -0.015 0.000) 2.014 2.779 ( -9.968 0.436 0.000) 9.977 2.830 ( -2.390 0.301 0.000) 2.409 3.023 ( -9.412 -0.174 0.000) 9.414 3.143 ( -0.145 0.892 0.000) 0.904 3.184 ( 2.043 -0.169 0.000) 2.050 3.839 ( 3.717 -0.001 0.000) 3.717 4.123 ( 6.769 0.338 0.000) 6.777 4.211 ( -1.219 -0.065 0.000) 1.221 4.226 ( -4.262 -0.110 0.000) 4.264 4.372 ( -1.882 -0.375 0.000) 1.919 4.470 ( -0.059 -0.009 0.000) 0.060 4.594 ( -6.484 -0.045 0.000) 6.485 4.802 ( 0.389 0.032 0.000) 0.390 4.847 ( -4.473 -0.050 0.000) 4.473 4.925 ( -3.371 -0.135 0.000) 3.374 5.004 ( 2.930 -0.277 0.000) 2.943 5.305 ( 5.025 -0.281 0.000) 5.033 5.384 ( 0.291 0.012 0.000) 0.291 5.401 ( -4.845 -0.147 0.000) 4.847 5.815 ( -0.684 -0.626 0.000) 0.927 5.896 ( 10.883 -0.029 0.000) 10.883 6.756 ( 2.201 0.284 0.000) 2.219 6.938 ( -0.874 -0.401 0.000) 0.962 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -0.504 -0.166 0.000) 0.531 1.103 ( -10.128 -3.144 0.000) 10.604 1.173 ( -0.590 0.284 0.000) 0.655 1.454 ( -9.996 0.114 0.000) 9.997 1.489 ( -1.608 -5.270 0.000) 5.510 1.607 ( 0.080 -1.826 0.000) 1.828 1.740 ( -7.105 -0.621 0.000) 7.132 1.790 ( -1.763 0.100 0.000) 1.766 2.070 ( -2.998 4.522 0.000) 5.425 2.104 ( 0.456 0.329 0.000) 0.562 2.132 ( -5.030 1.162 0.000) 5.162 2.222 ( -3.911 -0.807 0.000) 3.994 2.544 ( -13.588 2.449 0.000) 13.807 2.660 ( 1.597 -0.122 0.000) 1.602 2.767 ( -3.989 0.643 0.000) 4.040 2.803 ( -13.366 -0.356 0.000) 13.371 3.087 ( -5.726 0.335 0.000) 5.736 3.210 ( 0.567 0.603 0.000) 0.828 3.919 ( 3.951 0.095 0.000) 3.952 4.162 ( -2.869 -0.021 0.000) 2.869 4.188 ( -0.741 -0.072 0.000) 0.745 4.277 ( 7.690 0.800 0.000) 7.732 4.338 ( -0.319 -0.302 0.000) 0.439 4.437 ( -3.263 -0.139 0.000) 3.266 4.493 ( -3.796 -0.047 0.000) 3.796 4.772 ( -3.796 -0.527 0.000) 3.832 4.814 ( 0.959 0.038 0.000) 0.960 4.870 ( -2.029 -0.245 0.000) 2.044 5.042 ( 0.892 -0.542 0.000) 1.044 5.318 ( -4.335 -0.224 0.000) 4.340 5.390 ( 3.057 -1.589 0.000) 3.445 5.392 ( 0.604 -0.033 0.000) 0.605 5.810 ( -0.277 -1.724 0.000) 1.747 6.111 ( 11.847 0.460 0.000) 11.856 6.804 ( 3.074 0.778 0.000) 3.170 6.923 ( -0.999 -1.021 0.000) 1.428 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -10.053 0.873 0.000) 10.090 0.984 ( -2.149 1.576 0.000) 2.665 1.126 ( -4.086 -1.676 0.000) 4.416 1.229 ( -12.632 -0.838 0.000) 12.660 1.481 ( -3.723 -8.403 0.000) 9.191 1.590 ( -5.999 -1.051 0.000) 6.090 1.631 ( -2.115 -2.416 0.000) 3.211 1.788 ( 1.248 0.940 0.000) 1.562 1.901 ( -11.485 6.848 0.000) 13.371 2.045 ( -4.261 0.814 0.000) 4.338 2.065 ( -5.742 -0.105 0.000) 5.743 2.156 ( -3.470 -2.426 0.000) 4.234 2.296 ( -9.212 3.788 0.000) 9.960 2.568 ( -9.986 -0.283 0.000) 9.990 2.673 ( -5.620 0.975 0.000) 5.704 2.684 ( 0.893 -0.352 0.000) 0.960 2.924 ( -11.076 -0.037 0.000) 11.076 3.205 ( -0.213 1.072 0.000) 1.093 3.947 ( -1.515 0.240 0.000) 1.534 4.094 ( -5.116 0.148 0.000) 5.118 4.212 ( 3.500 0.015 0.000) 3.500 4.238 ( -5.695 1.025 0.000) 5.786 4.369 ( -3.184 -0.253 0.000) 3.194 4.453 ( 0.219 0.236 0.000) 0.322 4.502 ( 9.946 0.821 0.000) 9.980 4.698 ( -4.765 -2.551 0.000) 5.405 4.839 ( 1.643 0.042 0.000) 1.644 4.861 ( 0.876 -0.252 0.000) 0.911 5.054 ( 0.504 -0.156 0.000) 0.528 5.228 ( -5.434 -0.502 0.000) 5.457 5.409 ( 1.183 -0.144 0.000) 1.192 5.419 ( -2.357 -5.497 0.000) 5.981 5.829 ( 1.594 -1.646 0.000) 2.291 6.337 ( 12.419 1.109 0.000) 12.468 6.855 ( 2.419 1.268 0.000) 2.731 6.917 ( 0.064 -1.600 0.000) 1.602 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -6.802 8.257 0.000) 10.697 0.808 ( -14.349 4.377 0.000) 15.001 1.054 ( -6.790 -1.760 0.000) 7.014 1.102 ( 0.507 -4.975 0.000) 5.001 1.345 ( -16.445 -2.598 0.000) 16.649 1.469 ( -5.477 -0.285 0.000) 5.485 1.600 ( -2.899 -0.942 0.000) 3.048 1.665 ( -7.411 3.325 0.000) 8.122 1.806 ( -0.185 1.900 0.000) 1.909 1.881 ( -11.519 -0.945 0.000) 11.558 1.963 ( -4.395 -3.698 0.000) 5.744 2.135 ( 0.311 -1.327 0.000) 1.363 2.192 ( -0.429 1.996 0.000) 2.042 2.462 ( -1.944 0.071 0.000) 1.946 2.549 ( -6.651 1.217 0.000) 6.761 2.691 ( -12.961 -0.362 0.000) 12.966 2.699 ( 0.506 -0.627 0.000) 0.806 3.210 ( 1.624 1.250 0.000) 2.049 3.879 ( -4.571 0.287 0.000) 4.580 3.958 ( -8.668 0.162 0.000) 8.669 4.092 ( -8.649 1.777 0.000) 8.830 4.295 ( 4.485 0.099 0.000) 4.486 4.336 ( -0.617 -0.105 0.000) 0.626 4.434 ( -5.208 -2.896 0.000) 5.959 4.581 ( -1.695 -2.342 0.000) 2.891 4.710 ( 5.630 -0.441 0.000) 5.647 4.873 ( 1.885 0.105 0.000) 1.888 4.899 ( 2.835 0.348 0.000) 2.856 5.064 ( 0.150 0.689 0.000) 0.705 5.124 ( -5.198 -0.834 0.000) 5.265 5.345 ( -9.587 -11.104 0.000) 14.670 5.437 ( 1.534 -0.275 0.000) 1.558 5.883 ( 3.198 -0.471 0.000) 3.233 6.563 ( 12.216 1.978 0.000) 12.375 6.870 ( -0.144 -0.442 0.000) 0.465 6.950 ( 2.486 0.094 0.000) 2.488 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -15.460 5.012 0.000) 16.252 0.576 ( -3.826 14.546 0.000) 15.040 0.961 ( -3.842 -1.400 0.000) 4.089 0.970 ( -17.354 10.921 0.000) 20.504 1.170 ( 3.435 -6.231 0.000) 7.115 1.391 ( -2.819 0.795 0.000) 2.929 1.536 ( -2.852 2.452 0.000) 3.761 1.566 ( -4.554 -4.019 0.000) 6.073 1.615 ( -11.951 -0.760 0.000) 11.975 1.841 ( 1.019 2.134 0.000) 2.365 1.952 ( 0.890 -6.847 0.000) 6.905 2.161 ( 1.470 -1.003 0.000) 1.779 2.261 ( 8.247 -0.199 0.000) 8.249 2.427 ( -5.031 1.260 0.000) 5.186 2.454 ( 0.355 0.152 0.000) 0.386 2.472 ( -9.410 -0.476 0.000) 9.422 2.710 ( 0.293 -0.824 0.000) 0.874 3.251 ( 2.806 1.042 0.000) 2.993 3.798 ( -3.482 0.213 0.000) 3.488 3.801 ( -6.712 0.149 0.000) 6.713 3.925 ( -7.365 0.701 0.000) 7.398 4.201 ( -24.620 -11.716 0.000) 27.266 4.334 ( 0.174 0.105 0.000) 0.203 4.362 ( 2.516 0.102 0.000) 2.518 4.605 ( 2.787 0.024 0.000) 2.788 4.780 ( 1.453 0.144 0.000) 1.460 4.903 ( 1.273 0.200 0.000) 1.288 4.931 ( -1.075 0.543 0.000) 1.205 4.979 ( -7.612 -1.578 0.000) 7.774 5.101 ( 0.807 0.932 0.000) 1.233 5.213 ( -7.061 -9.498 0.000) 11.835 5.465 ( 1.112 -0.361 0.000) 1.169 5.939 ( 2.368 0.314 0.000) 2.389 6.768 ( 9.932 1.960 0.000) 10.124 6.870 ( -0.295 -1.535 0.000) 1.564 6.989 ( 1.751 1.215 0.000) 2.131 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.268 ( -0.000 7.760 0.000) 7.760 0.459 ( -0.000 14.113 0.000) 14.113 0.697 ( -0.000 21.712 0.000) 21.712 0.929 ( 0.000 -0.949 0.000) 0.949 1.259 ( 0.000 -7.895 0.000) 7.895 1.356 ( -0.000 1.202 0.000) 1.202 1.479 ( 0.000 -0.023 0.000) 0.023 1.496 ( -0.000 2.811 0.000) 2.811 1.535 ( 0.000 -4.286 0.000) 4.286 1.839 ( -0.000 2.678 0.000) 2.678 2.021 ( 0.000 -8.419 0.000) 8.419 2.186 ( 0.000 -1.324 0.000) 1.324 2.355 ( -0.000 1.752 0.000) 1.752 2.359 ( -0.000 0.282 0.000) 0.282 2.458 ( -0.000 0.145 0.000) 0.145 2.492 ( 0.000 -7.269 0.000) 7.269 2.717 ( 0.000 -0.870 0.000) 0.870 3.281 ( -0.000 0.632 0.000) 0.632 3.732 ( -0.000 0.155 0.000) 0.155 3.749 ( -0.000 0.273 0.000) 0.273 3.763 ( -0.000 0.150 0.000) 0.150 3.855 ( -0.000 0.188 0.000) 0.188 4.335 ( -0.000 0.171 0.000) 0.171 4.386 ( -0.000 0.099 0.000) 0.099 4.644 ( -0.000 0.936 0.000) 0.936 4.784 ( -0.000 0.083 0.000) 0.083 4.834 ( -0.000 0.146 0.000) 0.146 4.915 ( -0.000 0.242 0.000) 0.242 4.944 ( -0.000 0.219 0.000) 0.219 5.102 ( -0.000 1.330 0.000) 1.330 5.193 ( 0.000 -4.501 0.000) 4.501 5.478 ( 0.000 -0.375 0.000) 0.375 5.960 ( -0.000 0.503 0.000) 0.503 6.875 ( 0.000 -1.017 0.000) 1.017 6.876 ( 0.000 -0.915 0.000) 0.915 6.999 ( -0.000 1.661 0.000) 1.661 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -1.178 0.000 0.000) 1.178 1.148 ( 3.385 -0.000 0.000) 3.385 1.235 ( -6.960 0.000 0.000) 6.960 1.502 ( -2.937 0.000 0.000) 2.937 1.585 ( -4.134 0.000 0.000) 4.134 1.612 ( -2.462 0.000 0.000) 2.462 1.851 ( -4.981 0.000 0.000) 4.981 1.860 ( -4.879 0.000 0.000) 4.879 2.082 ( 1.735 -0.000 0.000) 1.735 2.090 ( 2.094 -0.000 0.000) 2.094 2.240 ( -3.750 0.000 0.000) 3.750 2.286 ( -2.553 0.000 0.000) 2.553 2.624 ( 2.003 -0.000 0.000) 2.003 2.781 ( -9.669 0.000 0.000) 9.669 2.831 ( -2.323 0.000 0.000) 2.323 3.022 ( -9.440 0.000 0.000) 9.440 3.148 ( -0.526 0.000 0.000) 0.526 3.183 ( 2.420 -0.000 0.000) 2.420 3.839 ( 3.728 -0.000 0.000) 3.728 4.125 ( 6.815 -0.000 0.000) 6.815 4.210 ( -1.213 0.000 0.000) 1.213 4.226 ( -4.257 0.000 0.000) 4.257 4.370 ( -1.894 0.000 0.000) 1.894 4.470 ( -0.081 0.000 0.000) 0.081 4.594 ( -6.481 0.000 0.000) 6.481 4.802 ( 0.391 -0.000 0.000) 0.391 4.847 ( -4.523 0.000 0.000) 4.523 4.924 ( -3.383 0.000 0.000) 3.383 5.003 ( 2.885 -0.000 0.000) 2.885 5.304 ( 4.923 -0.000 0.000) 4.923 5.384 ( 0.287 -0.000 0.000) 0.287 5.400 ( -4.853 0.000 0.000) 4.853 5.812 ( -1.009 0.000 0.000) 1.009 5.896 ( 11.091 -0.000 0.000) 11.091 6.757 ( 2.263 -0.000 0.000) 2.263 6.936 ( -0.954 0.000 0.000) 0.954 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -0.377 -0.051 0.000) 0.380 1.082 ( -8.969 -1.064 0.000) 9.032 1.175 ( -0.917 0.091 0.000) 0.922 1.453 ( -2.703 -1.887 0.000) 3.296 1.455 ( -10.035 0.045 0.000) 10.035 1.595 ( 0.038 -0.652 0.000) 0.653 1.736 ( -7.139 -0.218 0.000) 7.142 1.791 ( -1.603 0.037 0.000) 1.603 2.103 ( -1.042 1.888 0.000) 2.156 2.107 ( 0.388 0.118 0.000) 0.405 2.140 ( -5.881 0.511 0.000) 5.903 2.213 ( -5.239 -0.736 0.000) 5.290 2.561 ( -13.038 0.879 0.000) 13.068 2.659 ( 1.547 -0.044 0.000) 1.547 2.771 ( -3.940 0.222 0.000) 3.946 2.800 ( -13.379 -0.129 0.000) 13.379 3.089 ( -5.894 0.122 0.000) 5.895 3.214 ( 0.700 0.219 0.000) 0.733 3.919 ( 3.995 0.034 0.000) 3.995 4.162 ( -2.815 -0.007 0.000) 2.815 4.188 ( -0.714 -0.026 0.000) 0.715 4.282 ( 7.673 0.294 0.000) 7.678 4.336 ( 0.078 -0.100 0.000) 0.127 4.436 ( -3.307 -0.050 0.000) 3.307 4.493 ( -3.790 -0.018 0.000) 3.790 4.768 ( -4.118 -0.199 0.000) 4.122 4.814 ( 0.953 0.014 0.000) 0.953 4.869 ( -2.037 -0.078 0.000) 2.038 5.038 ( 0.891 -0.222 0.000) 0.918 5.317 ( -4.398 -0.072 0.000) 4.399 5.379 ( 2.380 -0.599 0.000) 2.454 5.392 ( 0.578 -0.012 0.000) 0.578 5.799 ( -0.308 -0.578 0.000) 0.655 6.114 ( 11.964 0.149 0.000) 11.965 6.809 ( 3.284 0.319 0.000) 3.300 6.916 ( -1.228 -0.406 0.000) 1.294 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -6.797 1.619 0.000) 6.987 0.996 ( -0.218 0.973 0.000) 0.997 1.113 ( -5.654 -0.952 0.000) 5.734 1.222 ( -13.544 -0.536 0.000) 13.555 1.409 ( -4.567 -5.742 0.000) 7.337 1.586 ( -5.402 0.225 0.000) 5.406 1.609 ( -2.451 -1.957 0.000) 3.136 1.795 ( 1.596 0.517 0.000) 1.677 1.958 ( -10.637 4.498 0.000) 11.549 2.057 ( -6.004 1.584 0.000) 6.209 2.064 ( -6.072 -0.060 0.000) 6.073 2.128 ( -2.943 -3.133 0.000) 4.298 2.324 ( -9.670 1.994 0.000) 9.873 2.566 ( -9.827 -0.158 0.000) 9.828 2.680 ( -5.583 0.513 0.000) 5.606 2.681 ( 0.804 -0.201 0.000) 0.829 2.924 ( -11.217 -0.011 0.000) 11.217 3.213 ( -0.148 0.589 0.000) 0.608 3.948 ( -1.488 0.135 0.000) 1.494 4.095 ( -5.080 0.083 0.000) 5.080 4.212 ( 3.545 0.008 0.000) 3.545 4.246 ( -5.181 0.611 0.000) 5.217 4.367 ( -3.165 -0.142 0.000) 3.168 4.455 ( -0.276 0.232 0.000) 0.360 4.510 ( 10.950 0.787 0.000) 10.978 4.675 ( -6.364 -1.905 0.000) 6.643 4.839 ( 1.651 0.023 0.000) 1.651 4.859 ( 0.969 -0.136 0.000) 0.979 5.052 ( 0.867 -0.146 0.000) 0.879 5.225 ( -5.526 -0.265 0.000) 5.532 5.376 ( -4.153 -3.115 0.000) 5.191 5.408 ( 1.137 -0.082 0.000) 1.140 5.818 ( 2.164 -0.729 0.000) 2.283 6.345 ( 12.609 0.538 0.000) 12.621 6.868 ( 2.428 1.408 0.000) 2.807 6.901 ( 0.056 -1.595 0.000) 1.596 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -2.063 9.502 0.000) 9.723 0.849 ( -14.780 3.907 0.000) 15.287 1.037 ( -6.732 -1.604 0.000) 6.921 1.058 ( 0.483 -3.951 0.000) 3.980 1.290 ( -12.713 -7.588 0.000) 14.805 1.470 ( -4.720 0.315 0.000) 4.730 1.592 ( -1.732 -0.759 0.000) 1.892 1.712 ( -10.704 5.546 0.000) 12.055 1.823 ( -0.062 1.556 0.000) 1.557 1.871 ( -11.653 -0.968 0.000) 11.693 1.928 ( -6.366 -3.393 0.000) 7.214 2.123 ( 0.734 -1.042 0.000) 1.275 2.208 ( -1.833 1.137 0.000) 2.157 2.463 ( -1.851 0.053 0.000) 1.852 2.559 ( -6.683 0.757 0.000) 6.726 2.688 ( -13.064 -0.243 0.000) 13.067 2.694 ( 0.414 -0.450 0.000) 0.612 3.221 ( 1.555 0.860 0.000) 1.777 3.882 ( -4.591 0.203 0.000) 4.596 3.959 ( -8.692 0.111 0.000) 8.693 4.109 ( -8.551 1.715 0.000) 8.721 4.295 ( 4.499 0.066 0.000) 4.499 4.335 ( -0.508 -0.068 0.000) 0.512 4.405 ( -9.685 -2.930 0.000) 10.119 4.563 ( -0.864 -1.244 0.000) 1.515 4.706 ( 6.730 -0.396 0.000) 6.741 4.874 ( 1.922 0.072 0.000) 1.923 4.902 ( 3.338 0.302 0.000) 3.352 5.071 ( 0.480 0.747 0.000) 0.888 5.117 ( -5.217 -0.577 0.000) 5.249 5.256 ( -10.455 -7.166 0.000) 12.675 5.434 ( 1.489 -0.200 0.000) 1.502 5.880 ( 3.700 -0.185 0.000) 3.704 6.578 ( 12.280 1.077 0.000) 12.327 6.866 ( -0.831 -0.335 0.000) 0.896 6.951 ( 3.198 0.093 0.000) 3.199 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -14.865 4.093 0.000) 15.418 0.718 ( -3.824 14.307 0.000) 14.809 0.945 ( -3.816 -1.825 0.000) 4.230 1.050 ( -10.387 4.870 0.000) 11.472 1.117 ( 3.055 -4.626 0.000) 5.544 1.402 ( -2.435 1.306 0.000) 2.763 1.532 ( -5.748 -2.299 0.000) 6.191 1.560 ( -2.598 2.057 0.000) 3.314 1.609 ( -11.855 -0.444 0.000) 11.864 1.858 ( 1.187 1.374 0.000) 1.816 1.888 ( -0.114 -6.050 0.000) 6.051 2.151 ( 1.394 -0.917 0.000) 1.668 2.250 ( 6.307 -1.798 0.000) 6.558 2.437 ( -5.328 0.830 0.000) 5.392 2.455 ( 0.363 0.135 0.000) 0.387 2.468 ( -9.355 -0.416 0.000) 9.364 2.702 ( 0.241 -0.691 0.000) 0.732 3.260 ( 2.616 0.840 0.000) 2.748 3.800 ( -3.536 0.181 0.000) 3.541 3.803 ( -6.706 0.117 0.000) 6.707 3.933 ( -8.196 1.109 0.000) 8.271 4.105 ( -23.846 -8.047 0.000) 25.167 4.335 ( 0.244 0.101 0.000) 0.265 4.363 ( 2.508 0.070 0.000) 2.509 4.607 ( 3.676 0.387 0.000) 3.696 4.781 ( 1.384 0.008 0.000) 1.384 4.905 ( 1.308 0.163 0.000) 1.318 4.938 ( -2.208 1.003 0.000) 2.425 4.969 ( -6.826 -0.584 0.000) 6.851 5.108 ( 1.250 0.250 0.000) 1.275 5.136 ( -3.354 -6.212 0.000) 7.060 5.461 ( 1.086 -0.314 0.000) 1.131 5.942 ( 2.560 0.280 0.000) 2.575 6.781 ( 9.118 0.975 0.000) 9.170 6.856 ( -0.525 -1.127 0.000) 1.243 7.000 ( 2.004 0.874 0.000) 2.186 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( -0.000 6.072 0.000) 6.072 0.586 ( -0.000 11.875 0.000) 11.875 0.895 ( -0.000 18.581 0.000) 18.581 0.916 ( 0.000 -1.633 0.000) 1.633 1.188 ( 0.000 -6.385 0.000) 6.385 1.368 ( -0.000 1.216 0.000) 1.216 1.479 ( 0.000 -0.022 0.000) 0.022 1.490 ( 0.000 -4.797 0.000) 4.797 1.525 ( -0.000 3.069 0.000) 3.069 1.862 ( -0.000 1.863 0.000) 1.863 1.940 ( 0.000 -7.975 0.000) 7.975 2.173 ( 0.000 -1.244 0.000) 1.244 2.362 ( -0.000 0.241 0.000) 0.241 2.363 ( 0.000 -0.558 0.000) 0.558 2.421 ( 0.000 -6.395 0.000) 6.395 2.460 ( -0.000 0.154 0.000) 0.154 2.709 ( 0.000 -0.830 0.000) 0.830 3.287 ( -0.000 0.643 0.000) 0.643 3.733 ( -0.000 0.147 0.000) 0.147 3.752 ( -0.000 0.259 0.000) 0.259 3.764 ( -0.000 0.141 0.000) 0.141 3.857 ( -0.000 0.175 0.000) 0.175 4.337 ( -0.000 0.178 0.000) 0.178 4.387 ( -0.000 0.075 0.000) 0.075 4.655 ( -0.000 1.273 0.000) 1.273 4.785 ( -0.000 0.079 0.000) 0.079 4.836 ( -0.000 0.136 0.000) 0.136 4.917 ( -0.000 0.224 0.000) 0.224 4.946 ( -0.000 0.144 0.000) 0.144 5.115 ( -0.000 1.193 0.000) 1.193 5.148 ( 0.000 -4.538 0.000) 4.538 5.474 ( 0.000 -0.374 0.000) 0.374 5.965 ( -0.000 0.470 0.000) 0.470 6.858 ( 0.000 -1.556 0.000) 1.556 6.876 ( -0.000 0.034 0.000) 0.034 7.014 ( -0.000 1.286 0.000) 1.286 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -5.322 0.000 0.000) 5.322 1.001 ( 0.624 -0.000 0.000) 0.624 1.108 ( -6.301 0.000 0.000) 6.301 1.219 ( -13.935 0.000 0.000) 13.935 1.379 ( -5.199 0.000 0.000) 5.199 1.592 ( -7.609 0.000 0.000) 7.609 1.595 ( -0.135 0.000 0.000) 0.135 1.798 ( 1.716 -0.000 0.000) 1.716 1.981 ( -9.907 0.000 0.000) 9.907 2.064 ( -6.192 0.000 0.000) 6.192 2.070 ( -9.498 0.000 0.000) 9.498 2.106 ( -0.251 0.000 0.000) 0.251 2.334 ( -9.840 0.000 0.000) 9.840 2.565 ( -9.769 0.000 0.000) 9.769 2.680 ( 0.771 -0.000 0.000) 0.771 2.682 ( -5.570 0.000 0.000) 5.570 2.924 ( -11.269 0.000 0.000) 11.269 3.216 ( -0.126 0.000 0.000) 0.126 3.949 ( -1.478 0.000 0.000) 1.478 4.095 ( -5.067 0.000 0.000) 5.067 4.212 ( 3.560 -0.000 0.000) 3.560 4.249 ( -4.964 0.000 0.000) 4.964 4.367 ( -3.157 0.000 0.000) 3.157 4.456 ( -0.430 0.000 0.000) 0.430 4.515 ( 11.574 -0.000 0.000) 11.574 4.665 ( -7.275 0.000 0.000) 7.275 4.839 ( 1.654 -0.000 0.000) 1.654 4.858 ( 0.999 -0.000 0.000) 0.999 5.051 ( 1.008 -0.000 0.000) 1.008 5.223 ( -5.550 0.000 0.000) 5.550 5.361 ( -4.754 0.000 0.000) 4.754 5.408 ( 1.121 -0.000 0.000) 1.121 5.814 ( 2.355 -0.000 0.000) 2.355 6.347 ( 12.670 -0.000 0.000) 12.670 6.879 ( 3.901 -0.000 0.000) 3.901 6.889 ( -1.415 0.000 0.000) 1.415 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -16.026 1.823 0.000) 16.130 0.898 ( 2.113 5.296 0.000) 5.702 1.025 ( -6.569 -0.662 0.000) 6.602 1.029 ( 1.321 -1.754 0.000) 2.196 1.222 ( -12.948 -4.785 0.000) 13.804 1.473 ( -4.473 0.169 0.000) 4.476 1.586 ( -0.908 -0.394 0.000) 0.990 1.758 ( -12.139 3.151 0.000) 12.541 1.835 ( 1.450 0.799 0.000) 1.655 1.863 ( -13.183 -0.602 0.000) 13.197 1.900 ( -7.317 -2.012 0.000) 7.589 2.116 ( 1.070 -0.388 0.000) 1.139 2.215 ( -2.689 0.356 0.000) 2.713 2.463 ( -1.799 0.020 0.000) 1.799 2.564 ( -6.715 0.255 0.000) 6.720 2.686 ( -13.124 -0.085 0.000) 13.124 2.690 ( 0.362 -0.164 0.000) 0.398 3.226 ( 1.520 0.305 0.000) 1.550 3.883 ( -4.602 0.073 0.000) 4.603 3.960 ( -8.707 0.039 0.000) 8.707 4.122 ( -8.308 0.768 0.000) 8.343 4.296 ( 4.506 0.023 0.000) 4.506 4.334 ( -0.445 -0.023 0.000) 0.446 4.383 ( -12.571 -1.293 0.000) 12.637 4.556 ( -0.073 -0.361 0.000) 0.369 4.703 ( 7.294 -0.161 0.000) 7.296 4.874 ( 1.942 0.026 0.000) 1.943 4.904 ( 3.696 0.125 0.000) 3.698 5.077 ( 1.269 0.377 0.000) 1.323 5.114 ( -5.494 -0.153 0.000) 5.496 5.208 ( -11.031 -2.584 0.000) 11.330 5.433 ( 1.462 -0.073 0.000) 1.464 5.879 ( 3.920 -0.049 0.000) 3.921 6.585 ( 12.282 0.341 0.000) 12.287 6.864 ( -1.184 -0.124 0.000) 1.190 6.952 ( 3.565 0.038 0.000) 3.565 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -14.663 2.313 0.000) 14.844 0.847 ( -7.494 11.641 0.000) 13.844 0.928 ( -3.884 -1.409 0.000) 4.132 1.061 ( -0.958 -2.221 0.000) 2.419 1.083 ( 2.956 -2.322 0.000) 3.759 1.414 ( -1.951 0.993 0.000) 2.189 1.523 ( -8.668 0.200 0.000) 8.671 1.577 ( -1.856 1.234 0.000) 2.229 1.606 ( -11.782 -0.205 0.000) 11.784 1.838 ( -0.834 -3.914 0.000) 4.002 1.868 ( 1.267 0.661 0.000) 1.429 2.144 ( 1.374 -0.550 0.000) 1.480 2.232 ( 4.163 -1.635 0.000) 4.473 2.443 ( -5.361 0.452 0.000) 5.380 2.456 ( 0.370 0.080 0.000) 0.379 2.464 ( -9.427 -0.270 0.000) 9.430 2.697 ( 0.205 -0.394 0.000) 0.444 3.266 ( 2.487 0.467 0.000) 2.531 3.801 ( -3.539 0.105 0.000) 3.540 3.804 ( -6.737 0.062 0.000) 6.737 3.946 ( -8.820 1.359 0.000) 8.924 4.043 ( -22.132 -4.616 0.000) 22.608 4.336 ( 0.294 0.063 0.000) 0.301 4.364 ( 2.502 0.034 0.000) 2.502 4.611 ( 4.237 0.347 0.000) 4.251 4.781 ( 1.365 -0.034 0.000) 1.366 4.906 ( 1.333 0.090 0.000) 1.336 4.949 ( -2.121 1.169 0.000) 2.422 4.966 ( -7.742 -0.097 0.000) 7.743 5.079 ( -0.339 -4.023 0.000) 4.038 5.117 ( 0.860 0.268 0.000) 0.901 5.459 ( 1.066 -0.183 0.000) 1.082 5.944 ( 2.674 0.161 0.000) 2.679 6.788 ( 8.682 0.413 0.000) 8.692 6.848 ( -0.661 -0.597 0.000) 0.891 7.006 ( 2.159 0.459 0.000) 2.207 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -0.000 3.888 0.000) 3.888 0.686 ( -0.000 8.319 0.000) 8.319 0.899 ( 0.000 -1.826 0.000) 1.826 1.052 ( -0.000 13.357 0.000) 13.357 1.138 ( 0.000 -3.829 0.000) 3.829 1.380 ( -0.000 1.094 0.000) 1.094 1.445 ( 0.000 -4.250 0.000) 4.250 1.478 ( 0.000 -0.015 0.000) 0.015 1.553 ( -0.000 2.600 0.000) 2.600 1.869 ( 0.000 -6.262 0.000) 6.262 1.876 ( -0.000 1.055 0.000) 1.055 2.162 ( 0.000 -0.884 0.000) 0.884 2.327 ( 0.000 -5.583 0.000) 5.583 2.364 ( -0.000 0.159 0.000) 0.159 2.391 ( 0.000 -0.488 0.000) 0.488 2.461 ( -0.000 0.119 0.000) 0.119 2.702 ( 0.000 -0.595 0.000) 0.595 3.293 ( -0.000 0.482 0.000) 0.482 3.735 ( -0.000 0.104 0.000) 0.104 3.754 ( -0.000 0.185 0.000) 0.185 3.765 ( -0.000 0.099 0.000) 0.099 3.859 ( -0.000 0.123 0.000) 0.123 4.339 ( -0.000 0.136 0.000) 0.136 4.387 ( -0.000 0.043 0.000) 0.043 4.668 ( -0.000 1.231 0.000) 1.231 4.785 ( -0.000 0.057 0.000) 0.057 4.837 ( -0.000 0.096 0.000) 0.096 4.919 ( -0.000 0.156 0.000) 0.156 4.946 ( -0.000 0.011 0.000) 0.011 5.107 ( 0.000 -3.405 0.000) 3.405 5.125 ( -0.000 0.779 0.000) 0.779 5.471 ( 0.000 -0.278 0.000) 0.278 5.969 ( -0.000 0.332 0.000) 0.332 6.846 ( 0.000 -0.999 0.000) 0.999 6.876 ( -0.000 0.024 0.000) 0.024 7.024 ( -0.000 0.818 0.000) 0.818 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -14.637 0.000 0.000) 14.637 0.918 ( -15.129 0.000 0.000) 15.129 0.921 ( -3.928 0.000 0.000) 3.928 1.035 ( 8.866 -0.000 0.000) 8.866 1.071 ( 2.962 -0.000 0.000) 2.962 1.419 ( -1.636 0.000 0.000) 1.636 1.526 ( -9.934 0.000 0.000) 9.934 1.583 ( -1.697 0.000 0.000) 1.697 1.605 ( -11.756 0.000 0.000) 11.756 1.818 ( -1.050 0.000 0.000) 1.050 1.871 ( 1.289 -0.000 0.000) 1.289 2.141 ( 1.372 -0.000 0.000) 1.372 2.223 ( 3.241 -0.000 0.000) 3.241 2.445 ( -5.270 0.000 0.000) 5.270 2.457 ( 0.373 -0.000 0.000) 0.373 2.463 ( -9.540 0.000 0.000) 9.540 2.695 ( 0.192 -0.000 0.000) 0.192 3.269 ( 2.442 -0.000 0.000) 2.442 3.801 ( -3.521 0.000 0.000) 3.521 3.804 ( -6.766 0.000 0.000) 6.766 3.955 ( -8.612 0.000 0.000) 8.612 4.019 ( -21.830 0.000 0.000) 21.830 4.336 ( 0.312 -0.000 0.000) 0.312 4.364 ( 2.500 -0.000 0.000) 2.500 4.613 ( 4.441 -0.000 0.000) 4.441 4.780 ( 1.363 -0.000 0.000) 1.363 4.907 ( 1.342 -0.000 0.000) 1.342 4.956 ( -0.006 0.000 0.000) 0.006 4.966 ( -10.801 0.000 0.000) 10.801 5.057 ( 0.839 -0.000 0.000) 0.839 5.119 ( 1.133 -0.000 0.000) 1.133 5.458 ( 1.058 -0.000 0.000) 1.058 5.945 ( 2.713 -0.000 0.000) 2.713 6.790 ( 8.546 -0.000 0.000) 8.546 6.845 ( -0.707 0.000 0.000) 0.707 7.009 ( 2.211 -0.000 0.000) 2.211 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -0.000 1.340 0.000) 1.340 0.743 ( -0.000 3.080 0.000) 3.080 0.885 ( 0.000 -0.830 0.000) 0.830 1.113 ( 0.000 -1.220 0.000) 1.220 1.145 ( -0.000 5.083 0.000) 5.083 1.390 ( -0.000 1.138 0.000) 1.138 1.411 ( 0.000 -2.464 0.000) 2.464 1.478 ( 0.000 -0.006 0.000) 0.006 1.572 ( -0.000 1.077 0.000) 1.077 1.825 ( 0.000 -2.544 0.000) 2.544 1.882 ( -0.000 0.338 0.000) 0.338 2.156 ( 0.000 -0.320 0.000) 0.320 2.285 ( 0.000 -2.513 0.000) 2.513 2.365 ( -0.000 0.055 0.000) 0.055 2.391 ( -0.000 0.029 0.000) 0.029 2.462 ( -0.000 0.044 0.000) 0.044 2.698 ( 0.000 -0.216 0.000) 0.216 3.296 ( -0.000 0.179 0.000) 0.179 3.735 ( -0.000 0.038 0.000) 0.038 3.755 ( -0.000 0.067 0.000) 0.067 3.766 ( -0.000 0.036 0.000) 0.036 3.860 ( -0.000 0.044 0.000) 0.044 4.339 ( -0.000 0.051 0.000) 0.051 4.388 ( -0.000 0.013 0.000) 0.013 4.677 ( -0.000 0.536 0.000) 0.536 4.786 ( -0.000 0.021 0.000) 0.021 4.837 ( -0.000 0.034 0.000) 0.034 4.920 ( -0.000 0.056 0.000) 0.056 4.946 ( 0.000 -0.035 0.000) 0.035 5.084 ( 0.000 -1.300 0.000) 1.300 5.131 ( -0.000 0.297 0.000) 0.297 5.469 ( 0.000 -0.103 0.000) 0.103 5.971 ( -0.000 0.120 0.000) 0.120 6.839 ( 0.000 -0.344 0.000) 0.344 6.876 ( -0.000 0.009 0.000) 0.009 7.029 ( -0.000 0.281 0.000) 0.281 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.200 ( 0.000 0.000 11.337) 11.337 0.371 ( 0.000 0.000 19.405) 19.405 0.619 ( 0.000 0.000 24.383) 24.383 0.940 ( 0.000 0.000 1.804) 1.804 1.227 ( 0.000 0.000 -9.606) 9.606 1.402 ( 0.000 0.000 -2.418) 2.418 1.464 ( 0.000 0.000 3.002) 3.002 1.524 ( 0.000 0.000 2.932) 2.932 1.599 ( 0.000 0.000 -0.424) 0.424 1.867 ( 0.000 0.000 4.874) 4.874 2.115 ( 0.000 0.000 -2.604) 2.604 2.222 ( 0.000 0.000 1.314) 1.314 2.231 ( 0.000 0.000 0.986) 0.986 2.272 ( 0.000 0.000 -4.213) 4.213 2.339 ( 0.000 0.000 -1.533) 1.533 2.408 ( 0.000 0.000 -5.147) 5.147 2.974 ( 0.000 0.000 0.044) 0.044 3.181 ( 0.000 0.000 -7.558) 7.558 3.731 ( 0.000 0.000 0.181) 0.181 3.741 ( 0.000 0.000 -0.187) 0.187 3.773 ( 0.000 0.000 1.179) 1.179 3.845 ( 0.000 0.000 -0.727) 0.727 4.346 ( 0.000 0.000 1.383) 1.383 4.542 ( 0.000 0.000 -5.365) 5.365 4.763 ( 0.000 0.000 5.693) 5.693 4.786 ( 0.000 0.000 0.421) 0.421 4.826 ( 0.000 0.000 -0.552) 0.552 4.950 ( 0.000 0.000 1.536) 1.536 5.042 ( 0.000 0.000 -2.761) 2.761 5.071 ( 0.000 0.000 -0.721) 0.721 5.526 ( 0.000 0.000 4.042) 4.042 5.782 ( 0.000 0.000 -3.173) 3.173 6.006 ( 0.000 0.000 5.435) 5.435 6.512 ( 0.000 0.000 -8.771) 8.771 7.002 ( 0.000 0.000 5.181) 5.181 7.216 ( 0.000 0.000 -1.578) 1.578 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 14.376 -1.794 6.720) 15.970 0.526 ( 12.566 -2.786 12.397) 17.871 0.821 ( 15.675 -2.234 8.458) 17.950 1.022 ( 10.586 -0.467 10.817) 15.142 1.234 ( -0.454 0.089 -7.731) 7.745 1.396 ( 2.433 1.359 -0.084) 2.788 1.479 ( 1.438 -1.099 1.797) 2.551 1.645 ( 10.307 0.566 -0.556) 10.338 1.649 ( 5.036 0.885 -0.599) 5.148 1.837 ( -1.453 -0.173 6.040) 6.215 2.096 ( -1.875 1.541 -2.048) 3.175 2.165 ( -2.713 0.448 -1.142) 2.977 2.173 ( -2.984 -0.941 -0.648) 3.196 2.374 ( 6.995 -0.495 -1.128) 7.103 2.407 ( 0.230 -0.098 -4.477) 4.484 2.465 ( 10.038 0.100 -1.580) 10.162 2.825 ( -5.867 0.100 6.373) 8.663 3.144 ( -3.261 -0.506 -7.631) 8.313 3.800 ( 6.168 -0.033 0.275) 6.174 3.800 ( 3.962 -0.079 0.619) 4.010 3.904 ( 5.722 -0.016 -1.115) 5.829 4.067 ( 15.207 0.508 -15.478) 21.705 4.346 ( 0.027 -0.029 1.379) 1.380 4.498 ( -4.404 0.027 -3.110) 5.392 4.694 ( -1.445 1.392 3.428) 3.972 4.769 ( -2.554 -0.303 0.085) 2.574 4.899 ( 2.433 0.321 0.301) 2.472 4.937 ( -1.570 -0.476 1.071) 1.959 5.050 ( 1.410 1.661 -1.669) 2.745 5.066 ( -0.209 -1.325 -0.975) 1.658 5.516 ( -0.722 0.737 4.307) 4.429 5.783 ( 0.995 8.024 -2.594) 8.492 5.984 ( -1.708 -0.044 4.946) 5.233 6.482 ( -4.084 -2.472 -8.758) 9.974 6.994 ( -0.765 -0.037 4.357) 4.424 7.069 ( -8.366 1.165 6.594) 10.716 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 17.163 1.176 4.478) 17.777 0.783 ( 12.015 -2.240 5.799) 13.528 1.075 ( 11.440 -1.138 -1.114) 11.551 1.202 ( -1.769 1.246 -3.307) 3.952 1.365 ( 20.685 -3.143 15.139) 25.825 1.480 ( 5.775 2.050 -0.643) 6.162 1.541 ( 4.501 -3.182 -1.443) 5.698 1.753 ( 6.738 3.974 0.445) 7.835 1.827 ( 0.397 0.359 5.170) 5.197 1.855 ( 10.546 1.119 -3.628) 11.209 2.045 ( -2.342 -0.320 -0.972) 2.556 2.121 ( -1.726 -0.706 -0.195) 1.875 2.159 ( 1.265 0.103 -0.665) 1.433 2.427 ( 3.248 0.117 -4.277) 5.372 2.522 ( 7.416 -0.695 1.596) 7.618 2.678 ( 11.010 0.218 -2.158) 11.222 2.764 ( -0.801 0.001 4.099) 4.177 3.094 ( -1.840 -0.963 -7.761) 8.034 3.882 ( 4.710 -0.196 1.103) 4.841 3.953 ( 8.529 -0.217 -0.079) 8.533 4.037 ( 7.618 -0.276 -1.852) 7.845 4.228 ( 3.473 0.073 -7.359) 8.138 4.348 ( 0.328 0.096 0.777) 0.849 4.403 ( -4.600 0.116 -3.935) 6.055 4.664 ( -5.575 1.280 0.574) 5.749 4.706 ( -0.230 -0.151 -0.599) 0.659 4.901 ( -1.632 0.093 1.015) 1.924 4.914 ( -0.720 -0.253 2.454) 2.570 5.049 ( -0.031 -0.012 -0.163) 0.166 5.121 ( 4.387 0.095 -2.185) 4.902 5.497 ( -0.890 0.616 4.959) 5.075 5.727 ( -3.060 5.930 0.811) 6.722 5.952 ( -1.324 1.409 2.068) 2.831 6.381 ( -7.692 -2.295 -7.376) 10.901 6.947 ( -4.777 0.386 5.099) 6.998 6.978 ( -0.831 0.302 2.498) 2.650 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 5.962 -0.896 2.223) 6.426 1.006 ( 16.889 3.456 3.161) 17.526 1.164 ( -0.829 1.221 -1.603) 2.179 1.310 ( 12.211 -0.534 3.154) 12.623 1.578 ( 6.207 1.437 -0.328) 6.379 1.659 ( 6.447 -1.430 0.599) 6.631 1.699 ( 9.807 -4.077 3.179) 11.086 1.791 ( -0.131 3.956 1.507) 4.235 1.852 ( 1.457 5.750 2.678) 6.509 1.986 ( 3.938 0.962 -4.412) 5.992 2.067 ( 2.792 -3.790 0.804) 4.776 2.169 ( 9.513 -4.020 2.488) 10.623 2.199 ( 2.067 0.211 1.271) 2.435 2.561 ( 10.878 0.001 -2.087) 11.076 2.647 ( 5.526 -0.629 1.144) 5.678 2.709 ( -1.982 0.240 1.022) 2.243 2.916 ( 10.336 -0.010 -0.988) 10.383 3.095 ( 1.212 -1.173 -7.132) 7.329 3.954 ( 1.899 -0.286 1.656) 2.536 4.094 ( 5.811 -0.286 0.298) 5.825 4.170 ( 5.494 -0.496 -3.261) 6.408 4.221 ( -2.697 -0.045 0.991) 2.873 4.348 ( -1.074 0.279 -2.416) 2.658 4.370 ( 1.218 0.013 -7.510) 7.609 4.532 ( -5.374 -0.128 4.223) 6.836 4.724 ( 1.461 0.942 -2.101) 2.726 4.875 ( -0.704 0.230 0.638) 0.977 4.895 ( -1.173 -0.050 3.044) 3.263 5.061 ( 1.060 -0.004 0.923) 1.406 5.202 ( 3.989 0.193 -3.175) 5.102 5.480 ( -0.504 0.523 5.571) 5.618 5.621 ( -5.578 3.179 3.368) 7.250 5.917 ( -1.436 2.499 -0.415) 2.912 6.223 ( -9.746 -1.735 -5.642) 11.394 6.869 ( -3.523 -0.031 3.585) 5.026 6.963 ( -0.460 0.749 0.728) 1.141 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 1.080 0.270 1.441) 1.821 1.144 ( -1.040 -0.618 -1.403) 1.853 1.284 ( 13.847 5.365 3.133) 15.177 1.522 ( 9.615 1.017 3.326) 10.225 1.684 ( 2.382 1.914 1.959) 3.630 1.718 ( -2.310 6.621 -0.501) 7.030 1.742 ( 3.798 2.860 -0.126) 4.756 1.820 ( 4.550 -1.897 1.723) 5.222 1.914 ( 5.214 -4.604 1.477) 7.111 2.035 ( 1.779 -1.131 -2.749) 3.464 2.115 ( 1.607 -2.817 1.258) 3.479 2.216 ( -0.310 -0.892 1.850) 2.077 2.470 ( 15.245 -2.387 2.797) 15.682 2.672 ( -0.744 -0.085 0.674) 1.007 2.715 ( 3.458 -0.859 -2.108) 4.140 2.817 ( 12.966 0.377 -0.767) 12.994 3.065 ( 5.048 -0.473 -0.814) 5.135 3.130 ( 1.270 -0.833 -5.263) 5.478 3.933 ( -3.740 -0.177 1.996) 4.243 4.173 ( -1.284 -0.155 -0.931) 1.594 4.184 ( -0.788 -0.445 -3.192) 3.318 4.199 ( 0.712 0.065 0.823) 1.090 4.336 ( 2.162 0.405 -1.490) 2.657 4.426 ( 4.459 0.019 -5.703) 7.239 4.507 ( 1.098 0.035 5.380) 5.491 4.749 ( 1.481 0.500 -2.306) 2.786 4.875 ( 0.557 0.432 1.435) 1.598 4.886 ( 1.010 0.068 1.401) 1.728 5.074 ( -0.019 0.177 2.123) 2.131 5.264 ( 2.618 0.198 -3.954) 4.746 5.472 ( -0.541 0.696 5.337) 5.409 5.498 ( -5.549 1.148 4.985) 7.547 5.874 ( -1.769 2.502 -2.066) 3.695 6.040 ( -10.164 -1.221 -4.216) 11.071 6.812 ( -2.597 -0.196 3.094) 4.044 6.953 ( -0.227 0.878 -0.583) 1.079 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.030 -0.057 1.240) 1.242 1.116 ( -2.186 -0.790 -0.890) 2.489 1.441 ( 3.848 6.179 3.280) 7.984 1.631 ( 1.509 3.851 1.225) 4.313 1.653 ( 2.606 1.910 1.879) 3.738 1.664 ( -0.036 2.697 -0.160) 2.702 1.877 ( 7.463 -0.012 4.685) 8.812 1.910 ( 3.727 0.020 1.698) 4.095 2.005 ( 1.526 -2.320 -0.901) 2.919 2.074 ( 1.763 -2.366 0.523) 2.996 2.172 ( 2.564 -1.989 1.630) 3.631 2.216 ( 0.484 -3.119 0.818) 3.260 2.562 ( -2.407 0.299 -4.639) 5.234 2.767 ( 1.894 -0.467 -5.121) 5.480 2.818 ( 11.841 -0.712 4.499) 12.686 3.032 ( 9.056 0.327 -0.598) 9.082 3.105 ( -1.034 -0.947 -0.290) 1.432 3.143 ( 0.039 -0.625 -3.102) 3.165 3.856 ( -3.723 -0.011 1.770) 4.122 4.060 ( -5.544 -0.454 -4.008) 6.856 4.222 ( 1.249 0.156 0.773) 1.477 4.252 ( 4.258 0.255 1.454) 4.507 4.380 ( 2.076 0.575 -0.868) 2.323 4.517 ( -0.157 0.018 3.879) 3.882 4.531 ( 5.890 0.062 -4.721) 7.549 4.766 ( 0.133 0.092 -2.449) 2.454 4.902 ( 2.875 0.323 1.890) 3.456 4.930 ( 3.069 0.212 -0.311) 3.092 5.054 ( -1.760 0.111 4.258) 4.609 5.303 ( 1.688 0.187 -4.560) 4.866 5.372 ( -5.920 0.585 5.528) 8.121 5.491 ( 1.677 0.148 4.578) 4.878 5.822 ( -3.981 1.135 -2.597) 4.887 5.865 ( -7.293 -0.144 -3.392) 8.044 6.773 ( -1.600 -0.181 3.051) 3.450 6.945 ( -0.156 0.679 -1.383) 1.548 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.205 -0.352 0.948) 1.032 1.080 ( -1.447 -0.131 -0.376) 1.501 1.410 ( -1.543 2.585 3.580) 4.677 1.631 ( -0.571 0.611 -1.613) 1.817 1.683 ( 3.042 2.265 1.117) 3.954 1.702 ( 1.277 0.463 3.748) 3.986 1.945 ( 1.079 0.306 0.658) 1.300 1.987 ( 2.140 -0.411 4.573) 5.065 2.013 ( 0.320 -0.481 1.938) 2.022 2.095 ( -0.189 -0.507 3.689) 3.728 2.228 ( 2.233 -1.455 0.693) 2.754 2.262 ( 1.481 -1.557 -0.533) 2.214 2.514 ( -1.721 0.140 -7.046) 7.255 2.792 ( 0.629 -0.135 -6.949) 6.979 2.988 ( 5.677 1.220 3.270) 6.664 3.068 ( -2.248 -1.206 -0.225) 2.562 3.134 ( -0.444 -0.383 -1.822) 1.914 3.150 ( 2.561 -0.135 0.184) 2.571 3.807 ( -1.321 0.023 1.599) 2.074 3.991 ( -1.847 -0.197 -3.511) 3.973 4.237 ( 0.425 0.083 0.896) 0.995 4.326 ( 2.825 0.293 -0.292) 2.855 4.412 ( 1.963 0.237 1.195) 2.310 4.484 ( -2.664 -0.102 4.268) 5.033 4.644 ( 5.245 0.149 -5.945) 7.930 4.743 ( -2.504 -0.087 -3.022) 3.926 4.967 ( 2.989 0.121 0.478) 3.030 4.977 ( 1.462 0.106 -0.230) 1.483 5.022 ( -1.126 -0.009 7.073) 7.162 5.274 ( -3.524 0.127 6.452) 7.353 5.325 ( 0.686 0.088 -4.709) 4.759 5.551 ( 4.999 0.203 2.197) 5.464 5.679 ( -8.069 -0.398 -0.782) 8.117 5.812 ( -0.761 0.599 -3.949) 4.066 6.753 ( -0.540 -0.071 3.098) 3.146 6.941 ( -0.067 0.253 -1.753) 1.772 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 17.814 -0.000 4.135) 18.288 0.771 ( 12.574 -0.000 5.977) 13.923 1.068 ( 11.982 -0.000 -1.170) 12.039 1.208 ( -1.901 0.000 -3.976) 4.407 1.349 ( 20.466 -0.000 15.620) 25.746 1.497 ( 6.980 -0.000 -0.636) 7.008 1.518 ( 3.169 -0.000 -1.681) 3.587 1.773 ( 7.577 -0.000 0.702) 7.609 1.829 ( 1.188 -0.000 6.062) 6.177 1.861 ( 10.600 -0.000 -3.839) 11.274 2.041 ( -4.238 0.000 -1.331) 4.442 2.118 ( -1.844 0.000 -0.108) 1.848 2.160 ( 1.440 -0.000 -0.917) 1.707 2.428 ( 3.253 -0.000 -4.214) 5.323 2.518 ( 7.465 -0.000 1.743) 7.666 2.679 ( 11.035 -0.000 -2.170) 11.247 2.764 ( -0.825 0.000 3.971) 4.056 3.089 ( -1.831 0.000 -7.884) 8.094 3.881 ( 4.696 -0.000 1.076) 4.817 3.951 ( 8.504 -0.000 -0.145) 8.505 4.035 ( 7.578 -0.000 -1.788) 7.786 4.229 ( 3.345 -0.000 -7.367) 8.091 4.349 ( 0.368 -0.000 0.795) 0.876 4.404 ( -4.601 0.000 -4.041) 6.124 4.671 ( -7.380 0.000 0.386) 7.390 4.705 ( 1.374 -0.000 -0.606) 1.501 4.901 ( -1.775 0.000 1.011) 2.043 4.913 ( -0.498 0.000 2.498) 2.547 5.049 ( -0.129 0.000 -0.101) 0.164 5.121 ( 4.449 -0.000 -2.302) 5.010 5.500 ( -0.997 0.000 5.103) 5.200 5.757 ( -4.706 0.000 0.369) 4.721 5.961 ( -0.959 0.000 0.802) 1.250 6.369 ( -7.305 0.000 -6.742) 9.940 6.949 ( -4.977 0.000 5.244) 7.229 6.979 ( -0.725 0.000 2.586) 2.686 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 6.600 -0.333 2.319) 7.003 1.033 ( 17.347 1.590 2.852) 17.651 1.172 ( -1.519 0.443 -1.716) 2.334 1.305 ( 12.734 -0.367 2.909) 13.067 1.592 ( 5.692 1.172 -1.013) 5.899 1.642 ( 7.478 -1.410 -0.251) 7.614 1.670 ( 11.309 -1.637 5.162) 12.538 1.810 ( -0.634 0.743 3.034) 3.187 1.924 ( -1.911 7.132 0.372) 7.393 1.993 ( 3.435 0.519 -4.809) 5.933 2.017 ( 5.986 -5.797 1.734) 8.511 2.143 ( 8.480 -1.238 2.291) 8.871 2.200 ( 1.820 0.043 1.563) 2.400 2.561 ( 10.689 -0.017 -2.173) 10.908 2.643 ( 5.777 -0.234 1.371) 5.942 2.711 ( -1.998 0.085 1.012) 2.241 2.916 ( 10.270 0.008 -1.084) 10.327 3.087 ( 1.331 -0.437 -7.263) 7.396 3.952 ( 1.924 -0.104 1.597) 2.502 4.092 ( 5.880 -0.106 0.157) 5.883 4.167 ( 5.499 -0.166 -3.155) 6.342 4.220 ( -2.647 -0.017 0.979) 2.822 4.350 ( -1.091 0.107 -2.369) 2.610 4.370 ( 1.171 -0.002 -7.657) 7.746 4.532 ( -5.358 -0.035 4.313) 6.878 4.730 ( 1.280 0.321 -2.166) 2.537 4.877 ( -0.620 0.084 0.640) 0.895 4.894 ( -1.134 -0.017 3.058) 3.262 5.061 ( 1.134 -0.000 0.914) 1.456 5.204 ( 3.974 0.060 -3.248) 5.133 5.484 ( -0.579 0.186 5.780) 5.812 5.641 ( -6.695 1.056 3.357) 7.564 5.936 ( -1.451 1.151 -1.696) 2.511 6.210 ( -9.428 -0.766 -5.243) 10.815 6.869 ( -3.613 0.005 3.845) 5.276 6.968 ( -0.430 0.263 0.732) 0.889 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 1.236 0.182 1.290) 1.796 1.139 ( -1.459 -0.397 -1.384) 2.050 1.330 ( 14.225 3.617 2.822) 14.947 1.529 ( 10.109 0.308 4.529) 11.082 1.696 ( 3.831 0.767 1.223) 4.094 1.759 ( 2.770 2.550 -0.516) 3.800 1.784 ( -1.831 3.150 -0.439) 3.670 1.807 ( 3.511 0.504 0.339) 3.563 1.874 ( 4.773 -3.591 2.252) 6.383 2.028 ( 1.141 -0.158 -3.251) 3.449 2.086 ( 1.676 -2.896 1.383) 3.620 2.209 ( -0.921 -0.597 2.735) 2.947 2.451 ( 16.768 -1.386 3.363) 17.158 2.672 ( -1.224 -0.015 0.503) 1.323 2.708 ( 3.667 -0.508 -2.004) 4.210 2.820 ( 12.900 0.214 -0.838) 12.929 3.062 ( 4.778 -0.267 -0.865) 4.863 3.123 ( 1.592 -0.465 -5.374) 5.624 3.932 ( -3.650 -0.102 1.957) 4.143 4.171 ( -3.179 -0.154 -2.336) 3.948 4.181 ( 1.326 -0.180 -1.714) 2.175 4.200 ( 0.738 0.037 0.823) 1.107 4.339 ( 2.242 0.229 -1.529) 2.723 4.426 ( 4.483 0.010 -5.713) 7.262 4.508 ( 1.111 0.030 5.369) 5.483 4.752 ( 1.245 0.271 -2.303) 2.632 4.879 ( 0.393 0.361 2.047) 2.116 4.886 ( 1.222 -0.078 0.839) 1.484 5.075 ( -0.005 0.092 2.018) 2.020 5.265 ( 2.606 0.105 -3.971) 4.751 5.477 ( -0.035 0.335 5.669) 5.679 5.507 ( -6.782 0.646 4.850) 8.363 5.896 ( -2.033 1.736 -2.962) 3.990 6.029 ( -9.975 -0.953 -3.965) 10.777 6.810 ( -2.603 -0.084 3.376) 4.264 6.960 ( -0.312 0.477 -0.607) 0.833 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.258 -0.018 1.074) 1.105 1.110 ( -1.909 -0.546 -0.880) 2.171 1.496 ( 3.407 4.909 2.834) 6.613 1.656 ( 2.234 1.339 3.556) 4.408 1.673 ( 0.052 2.038 0.913) 2.234 1.694 ( -0.907 3.215 -0.282) 3.353 1.876 ( 7.233 -0.205 3.549) 8.060 1.913 ( 4.357 0.571 0.924) 4.491 1.979 ( 2.775 -2.904 0.023) 4.017 2.054 ( 1.776 -1.558 -0.478) 2.410 2.153 ( 3.862 -1.978 1.307) 4.532 2.190 ( -0.581 -2.040 2.312) 3.137 2.564 ( -2.395 0.207 -4.453) 5.060 2.763 ( 2.078 -0.344 -4.947) 5.377 2.812 ( 12.789 -0.513 4.477) 13.560 3.035 ( 9.063 0.226 -0.602) 9.086 3.098 ( -0.935 -0.563 -0.051) 1.092 3.137 ( -0.239 -0.524 -3.519) 3.566 3.856 ( -3.674 -0.009 1.766) 4.076 4.056 ( -5.464 -0.329 -3.851) 6.693 4.223 ( 1.244 0.114 0.777) 1.471 4.254 ( 4.366 0.176 1.507) 4.622 4.385 ( 2.017 0.404 -1.005) 2.289 4.518 ( -0.396 0.042 4.131) 4.150 4.531 ( 6.124 0.026 -4.972) 7.888 4.767 ( 0.001 0.062 -2.423) 2.424 4.905 ( 2.827 0.279 2.064) 3.511 4.931 ( 3.021 0.094 -0.404) 3.049 5.055 ( -1.835 0.075 4.118) 4.509 5.304 ( 1.663 0.130 -4.531) 4.829 5.377 ( -6.257 0.403 5.575) 8.391 5.492 ( 1.659 0.099 4.655) 4.943 5.833 ( -6.486 0.885 -2.629) 7.054 5.864 ( -5.094 -0.163 -3.732) 6.316 6.771 ( -1.560 -0.110 3.266) 3.621 6.951 ( -0.333 0.467 -1.405) 1.517 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.508 -0.119 0.856) 1.003 1.078 ( -1.373 -0.294 -0.405) 1.461 1.439 ( -3.612 3.172 3.353) 5.861 1.632 ( -1.542 -0.320 -0.927) 1.827 1.700 ( 0.500 0.604 2.599) 2.714 1.712 ( 1.321 1.805 1.923) 2.950 1.948 ( 0.775 0.284 0.404) 0.920 1.983 ( 2.028 -0.400 3.025) 3.664 2.007 ( 1.181 -0.862 3.465) 3.761 2.089 ( 0.389 -0.688 3.584) 3.670 2.216 ( 3.406 -0.937 0.846) 3.633 2.249 ( 3.161 -1.053 -0.362) 3.352 2.515 ( -1.846 0.102 -6.964) 7.205 2.791 ( 0.766 -0.121 -6.854) 6.898 3.001 ( 6.380 1.364 3.250) 7.288 3.057 ( -2.475 -0.873 0.193) 2.632 3.126 ( -0.746 -1.005 -2.289) 2.609 3.150 ( 2.935 0.085 0.121) 2.938 3.807 ( -1.337 0.016 1.602) 2.087 3.989 ( -1.670 -0.171 -3.432) 3.821 4.238 ( 0.353 0.070 0.903) 0.972 4.329 ( 2.658 0.247 -0.268) 2.683 4.415 ( 1.762 0.199 1.163) 2.120 4.483 ( -2.662 -0.069 4.218) 4.989 4.646 ( 5.218 0.118 -5.916) 7.889 4.742 ( -2.540 -0.083 -3.035) 3.958 4.968 ( 2.859 0.151 0.557) 2.916 4.978 ( 1.406 0.049 -0.230) 1.426 5.022 ( -1.154 -0.019 6.989) 7.084 5.275 ( -3.666 0.102 6.470) 7.437 5.326 ( 0.607 0.068 -4.675) 4.715 5.553 ( 5.063 0.168 2.165) 5.509 5.676 ( -7.985 -0.308 -0.709) 8.022 5.817 ( -1.296 0.488 -4.105) 4.332 6.753 ( -0.476 -0.055 3.181) 3.217 6.943 ( -0.306 0.207 -1.761) 1.800 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -0.103 0.558 0.959) 1.114 1.080 ( 1.804 -0.128 -0.271) 1.829 1.391 ( -0.856 -1.368 3.777) 4.107 1.617 ( -0.841 -2.436 -1.222) 2.852 1.667 ( -3.957 -0.770 1.083) 4.174 1.697 ( -2.093 -0.623 2.894) 3.625 1.942 ( -1.259 -0.310 1.004) 1.640 1.991 ( -2.364 0.335 5.875) 6.342 2.016 ( 0.489 0.108 0.750) 0.902 2.099 ( 0.725 0.199 3.722) 3.797 2.243 ( -0.926 1.689 0.561) 2.006 2.278 ( -0.042 1.587 -0.588) 1.693 2.512 ( 1.578 -0.151 -7.162) 7.335 2.793 ( -0.484 0.116 -7.068) 7.085 2.978 ( -5.371 -0.825 3.294) 6.354 3.080 ( 2.087 1.304 -0.747) 2.572 3.134 ( 0.282 -0.251 -1.212) 1.270 3.152 ( -1.954 0.242 0.195) 1.978 3.807 ( 1.304 -0.025 1.595) 2.061 3.993 ( 2.032 0.175 -3.597) 4.136 4.236 ( -0.501 -0.077 0.888) 1.022 4.323 ( -3.005 -0.269 -0.309) 3.033 4.410 ( -2.184 -0.220 1.223) 2.513 4.485 ( 2.671 0.113 4.315) 5.076 4.643 ( -5.270 -0.147 -5.978) 7.971 4.744 ( 2.467 0.070 -3.009) 3.892 4.966 ( -3.121 -0.071 0.382) 3.145 4.976 ( -1.563 -0.129 -0.218) 1.583 5.022 ( 1.123 -0.006 7.166) 7.254 5.273 ( 3.371 -0.123 6.431) 7.262 5.324 ( -0.771 -0.088 -4.745) 4.808 5.549 ( -4.927 -0.192 2.234) 5.413 5.683 ( 8.200 0.405 -0.869) 8.256 5.806 ( 0.149 -0.579 -3.778) 3.825 6.754 ( 0.616 0.071 3.010) 3.073 6.938 ( -0.192 -0.242 -1.743) 1.770 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.337 0.102 1.464) 1.506 1.125 ( 2.478 0.880 -0.874) 2.771 1.381 ( -4.597 -5.975 3.782) 8.434 1.589 ( -2.773 -4.487 0.890) 5.349 1.634 ( -0.495 -1.957 -0.002) 2.018 1.642 ( -3.299 -1.862 0.701) 3.852 1.876 ( -7.527 -0.132 5.787) 9.496 1.911 ( -3.280 0.184 2.337) 4.032 2.024 ( -0.364 1.571 -1.598) 2.271 2.097 ( -0.978 2.330 1.450) 2.913 2.192 ( -2.446 2.197 1.444) 3.591 2.246 ( -1.275 2.851 -0.065) 3.124 2.559 ( 2.437 -0.324 -4.878) 5.462 2.771 ( -1.689 0.470 -5.356) 5.636 2.826 ( -10.691 0.767 4.507) 11.627 3.028 ( -9.038 -0.359 -0.592) 9.065 3.116 ( 0.995 1.212 -0.533) 1.656 3.149 ( -0.196 0.499 -2.640) 2.693 3.856 ( 3.781 0.008 1.775) 4.177 4.064 ( 5.644 0.468 -4.198) 7.050 4.220 ( -1.248 -0.160 0.765) 1.473 4.249 ( -4.136 -0.280 1.391) 4.373 4.374 ( -2.150 -0.615 -0.709) 2.346 4.517 ( -0.011 0.036 3.740) 3.740 4.530 ( -5.727 -0.102 -4.579) 7.334 4.765 ( -0.293 -0.104 -2.478) 2.497 4.899 ( -2.911 -0.259 1.751) 3.407 4.927 ( -3.145 -0.322 -0.284) 3.174 5.053 ( 1.658 -0.125 4.446) 4.747 5.301 ( -1.720 -0.204 -4.593) 4.908 5.366 ( 5.499 -0.644 5.471) 7.784 5.489 ( -1.715 -0.167 4.481) 4.801 5.811 ( 2.169 -1.127 -2.389) 3.418 5.867 ( 8.761 0.110 -3.155) 9.313 6.775 ( 1.671 0.231 2.789) 3.259 6.938 ( -0.076 -0.750 -1.351) 1.547 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -0.983 -0.290 1.607) 1.906 1.151 ( 0.461 0.612 -1.416) 1.610 1.231 ( -12.967 -5.333 3.630) 14.483 1.508 ( -8.875 -1.873 1.740) 9.236 1.646 ( 2.078 -6.749 -0.414) 7.074 1.662 ( -0.538 -3.345 2.065) 3.967 1.723 ( -7.171 -1.297 1.541) 7.448 1.838 ( -3.727 1.754 2.855) 5.012 1.961 ( -4.632 4.769 0.031) 6.648 2.049 ( -2.666 1.732 -2.150) 3.838 2.139 ( -1.920 2.105 1.628) 3.281 2.224 ( -0.709 0.598 0.871) 1.272 2.495 ( -13.001 2.720 1.918) 13.421 2.674 ( -0.127 0.242 1.003) 1.039 2.724 ( -3.182 0.959 -2.279) 4.030 2.813 ( -13.071 -0.450 -0.648) 13.095 3.071 ( -5.386 0.575 -0.739) 5.467 3.139 ( -0.879 1.018 -5.120) 5.293 3.935 ( 3.866 0.208 2.050) 4.381 4.174 ( -0.425 0.083 0.212) 0.482 4.190 ( 2.803 0.651 -4.400) 5.258 4.199 ( -0.645 -0.072 0.770) 1.007 4.331 ( -2.044 -0.490 -1.439) 2.547 4.425 ( -4.429 -0.026 -5.691) 7.211 4.507 ( -1.059 -0.006 5.401) 5.504 4.743 ( -1.851 -0.646 -2.303) 3.024 4.871 ( -0.673 -0.380 1.053) 1.306 4.884 ( -0.819 -0.218 1.688) 1.889 5.071 ( 0.037 -0.245 2.309) 2.322 5.261 ( -2.649 -0.260 -3.930) 4.746 5.463 ( 1.738 -1.192 4.868) 5.305 5.486 ( 3.210 -1.210 5.185) 6.217 5.850 ( 1.495 -2.432 -1.020) 3.032 6.052 ( 10.456 1.070 -4.379) 11.386 6.814 ( 2.617 0.331 2.692) 3.769 6.943 ( 0.090 -1.131 -0.534) 1.254 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -10.311 -2.398 1.988) 10.771 0.983 ( -10.221 0.578 3.605) 10.853 1.149 ( -0.435 -1.768 -1.414) 2.305 1.313 ( -11.436 0.153 3.471) 11.952 1.566 ( -6.340 -0.955 0.526) 6.433 1.661 ( -4.406 -1.343 1.006) 4.715 1.713 ( -0.767 -6.631 -0.511) 6.695 1.756 ( -7.406 3.062 3.357) 8.689 1.832 ( -4.020 0.999 2.711) 4.950 1.977 ( -4.940 -0.747 -3.697) 6.215 2.091 ( -2.787 1.424 0.934) 3.267 2.196 ( -2.383 -0.551 1.055) 2.663 2.216 ( -9.844 5.358 2.136) 11.409 2.560 ( -11.101 -0.082 -1.921) 11.267 2.655 ( -5.205 0.827 0.757) 5.325 2.706 ( 1.931 -0.351 1.029) 2.216 2.916 ( -10.445 0.079 -0.798) 10.476 3.108 ( -1.012 1.571 -6.929) 7.176 3.958 ( -1.855 0.398 1.760) 2.588 4.097 ( -5.692 0.381 0.534) 5.730 4.176 ( -5.445 0.805 -3.451) 6.497 4.221 ( 2.775 0.060 1.009) 2.954 4.345 ( 1.054 -0.358 -2.438) 2.680 4.370 ( -1.319 -0.056 -7.336) 7.454 4.534 ( 5.420 0.283 4.059) 6.777 4.712 ( -1.828 -1.497 -1.951) 3.064 4.872 ( 0.843 -0.317 0.635) 1.102 4.895 ( 1.256 0.074 3.020) 3.272 5.061 ( -0.905 0.015 0.954) 1.315 5.200 ( -4.041 -0.340 -3.058) 5.079 5.474 ( 0.344 -0.788 5.197) 5.268 5.581 ( 3.472 -4.909 3.612) 7.014 5.893 ( 1.805 -2.349 1.292) 3.232 6.241 ( 10.172 1.860 -6.061) 11.986 6.870 ( 3.380 0.170 3.132) 4.611 6.954 ( 0.520 -1.127 0.738) 1.444 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -14.954 0.609 4.803) 15.718 0.811 ( -10.776 3.292 5.458) 12.520 1.085 ( -9.967 0.545 -0.812) 10.015 1.186 ( 1.005 -1.963 -1.228) 2.525 1.407 ( -20.893 5.139 13.754) 25.536 1.464 ( -5.486 -1.195 -0.156) 5.617 1.572 ( -4.917 3.056 -1.197) 5.912 1.702 ( -4.473 -6.041 -0.091) 7.517 1.820 ( -0.846 -1.167 0.414) 1.499 1.843 ( -9.231 -1.018 -0.775) 9.319 2.040 ( -1.042 -1.295 -0.017) 1.662 2.135 ( 1.011 2.193 -0.534) 2.473 2.157 ( -0.900 -0.257 -0.056) 0.938 2.426 ( -3.243 -0.196 -4.440) 5.502 2.530 ( -7.318 1.053 1.227) 7.495 2.675 ( -10.920 -0.412 -2.132) 11.134 2.764 ( 0.704 0.036 4.461) 4.516 3.107 ( 1.864 1.638 -7.440) 7.843 3.885 ( -4.748 0.346 1.178) 4.905 3.955 ( -8.597 0.369 0.102) 8.606 4.041 ( -7.729 0.608 -2.046) 8.019 4.227 ( -3.888 -0.235 -7.350) 8.319 4.347 ( -0.213 -0.156 0.731) 0.777 4.402 ( 4.598 -0.231 -3.620) 5.856 4.647 ( 2.592 -2.115 1.085) 3.517 4.707 ( 2.676 0.065 -0.552) 2.733 4.900 ( 1.508 -0.014 0.963) 1.790 4.917 ( 1.064 0.319 2.406) 2.650 5.049 ( -0.209 0.108 -0.313) 0.391 5.119 ( -4.228 -0.279 -1.912) 4.649 5.487 ( 0.409 -1.417 4.560) 4.793 5.648 ( -0.368 -9.731 2.756) 10.120 5.940 ( 2.359 -0.907 3.843) 4.600 6.407 ( 8.321 2.862 -8.453) 12.202 6.942 ( 4.256 -0.575 4.773) 6.421 6.974 ( 1.173 -0.490 2.243) 2.578 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -9.758 6.641 7.346) 13.903 0.571 ( -11.041 5.966 11.599) 17.089 0.861 ( -14.466 5.357 4.568) 16.088 1.032 ( -11.641 1.714 13.154) 17.649 1.230 ( 1.579 -0.714 -6.140) 6.380 1.377 ( -3.369 -2.131 -0.047) 3.987 1.495 ( -1.836 2.109 1.598) 3.221 1.630 ( -5.117 -2.659 -0.573) 5.795 1.637 ( -9.645 -1.363 -0.619) 9.760 1.839 ( 1.253 0.193 4.648) 4.818 2.068 ( 1.968 -4.130 -1.422) 4.791 2.165 ( 2.658 0.241 -1.380) 3.004 2.182 ( 2.792 0.879 -1.436) 3.261 2.382 ( -6.308 1.018 -2.114) 6.730 2.409 ( -0.465 0.248 -4.022) 4.056 2.463 ( -9.989 -0.273 -1.581) 10.117 2.823 ( 5.493 -0.281 6.588) 8.582 3.154 ( 3.284 1.330 -7.256) 8.075 3.800 ( -5.747 0.126 0.364) 5.760 3.801 ( -4.475 0.184 0.576) 4.516 3.904 ( -5.882 0.073 -1.176) 5.999 4.057 ( -15.674 -1.505 -14.354) 21.307 4.346 ( 0.036 0.088 1.362) 1.366 4.498 ( 4.483 -0.082 -2.930) 5.356 4.670 ( 1.072 -3.473 4.698) 5.939 4.773 ( 2.245 0.493 0.044) 2.299 4.894 ( -2.594 -0.541 0.116) 2.652 4.945 ( 1.646 0.976 1.199) 2.258 5.032 ( -1.942 -1.860 -1.238) 2.960 5.078 ( 0.288 1.103 -0.851) 1.423 5.498 ( -0.623 -3.594 4.367) 5.690 5.661 ( -3.993 -14.112 4.937) 15.475 5.986 ( 2.120 0.359 5.361) 5.776 6.517 ( 4.823 3.976 -11.233) 12.855 6.995 ( 1.007 0.088 4.065) 4.189 7.050 ( 6.627 -2.313 6.274) 9.414 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( -0.000 14.500 7.367) 16.264 0.404 ( -0.000 6.292 17.793) 18.873 0.638 ( -0.000 3.776 23.168) 23.474 0.942 ( -0.000 0.403 2.883) 2.911 1.233 ( -0.000 1.133 -9.390) 9.458 1.382 ( 0.000 -3.635 -1.626) 3.982 1.473 ( -0.000 1.593 2.782) 3.205 1.522 ( 0.000 -0.531 2.763) 2.814 1.591 ( 0.000 -1.572 -0.389) 1.619 1.862 ( 0.000 -0.806 4.838) 4.904 2.116 ( 0.000 -0.976 -4.476) 4.582 2.218 ( 0.000 -0.882 -0.069) 0.884 2.219 ( 0.000 -0.536 1.362) 1.463 2.292 ( -0.000 2.775 -4.516) 5.301 2.339 ( -0.000 0.096 -1.566) 1.569 2.410 ( -0.000 0.296 -5.163) 5.171 2.961 ( 0.000 -2.557 1.330) 2.883 3.188 ( -0.000 1.340 -7.361) 7.482 3.731 ( -0.000 0.066 0.179) 0.190 3.741 ( -0.000 0.098 -0.196) 0.219 3.773 ( -0.000 0.074 1.177) 1.179 3.846 ( -0.000 0.078 -0.733) 0.737 4.346 ( -0.000 0.123 1.384) 1.389 4.542 ( -0.000 0.058 -5.437) 5.437 4.741 ( 0.000 -4.300 7.492) 8.638 4.787 ( -0.000 0.035 0.420) 0.421 4.826 ( -0.000 0.060 -0.556) 0.559 4.954 ( -0.000 0.757 1.665) 1.829 5.027 ( 0.000 -2.385 -1.764) 2.967 5.079 ( -0.000 1.216 -0.826) 1.470 5.509 ( 0.000 -4.400 4.925) 6.604 5.679 ( 0.000 -16.000 7.048) 17.483 6.007 ( -0.000 0.303 5.571) 5.579 6.542 ( -0.000 4.735 -11.954) 12.857 7.004 ( -0.000 0.326 4.844) 4.855 7.177 ( 0.000 -6.580 1.979) 6.871 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 1.309 -0.000 1.231) 1.796 1.137 ( -1.615 0.000 -1.375) 2.121 1.348 ( 14.321 -0.000 2.722) 14.577 1.530 ( 10.313 -0.000 4.948) 11.438 1.700 ( 4.054 -0.000 0.618) 4.100 1.779 ( 5.708 -0.000 -0.031) 5.708 1.779 ( 0.748 -0.000 -0.197) 0.774 1.832 ( -4.567 0.000 -0.814) 4.639 1.848 ( 6.702 -0.000 2.464) 7.140 2.030 ( 0.628 -0.000 -3.928) 3.978 2.069 ( 2.140 -0.000 2.130) 3.019 2.206 ( -1.115 0.000 3.072) 3.268 2.444 ( 17.305 -0.000 3.556) 17.666 2.672 ( -1.374 0.000 0.453) 1.447 2.706 ( 3.746 -0.000 -1.969) 4.233 2.821 ( 12.877 -0.000 -0.861) 12.906 3.060 ( 4.674 -0.000 -0.883) 4.757 3.121 ( 1.717 -0.000 -5.415) 5.681 3.931 ( -3.617 0.000 1.943) 4.106 4.170 ( -3.842 0.000 -2.881) 4.802 4.180 ( 2.065 -0.000 -1.143) 2.361 4.200 ( 0.746 -0.000 0.821) 1.110 4.340 ( 2.270 -0.000 -1.544) 2.745 4.426 ( 4.492 -0.000 -5.717) 7.271 4.508 ( 1.113 -0.000 5.365) 5.480 4.754 ( 1.164 -0.000 -2.301) 2.579 4.882 ( 0.058 -0.000 2.993) 2.993 4.885 ( 1.574 -0.000 -0.092) 1.577 5.075 ( 0.001 -0.000 1.985) 1.985 5.266 ( 2.603 -0.000 -3.977) 4.753 5.479 ( 0.089 -0.000 5.783) 5.784 5.510 ( -7.151 0.000 4.808) 8.617 5.905 ( -2.120 0.000 -3.352) 3.966 6.024 ( -9.935 0.000 -3.812) 10.641 6.810 ( -2.608 0.000 3.477) 4.347 6.962 ( -0.341 0.000 -0.613) 0.702 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.438 -0.002 0.988) 1.080 1.106 ( -1.735 -0.195 -0.866) 1.949 1.531 ( 3.189 1.942 2.569) 4.532 1.663 ( 3.102 0.321 4.635) 5.586 1.687 ( -1.952 0.781 0.592) 2.184 1.719 ( -1.667 1.452 -0.272) 2.227 1.874 ( 7.027 -0.147 2.786) 7.561 1.922 ( 5.162 1.147 0.145) 5.290 1.952 ( 3.142 -2.200 0.733) 3.905 2.044 ( 1.609 -0.511 -1.036) 1.980 2.137 ( 5.060 -0.973 1.262) 5.305 2.177 ( -1.145 -0.598 3.244) 3.491 2.566 ( -2.392 0.074 -4.351) 4.966 2.760 ( 2.188 -0.127 -4.858) 5.330 2.809 ( 13.318 -0.189 4.461) 14.046 3.036 ( 9.064 0.080 -0.605) 9.084 3.094 ( -0.805 -0.179 0.120) 0.833 3.134 ( -0.471 -0.207 -3.789) 3.823 3.856 ( -3.646 -0.004 1.763) 4.050 4.054 ( -5.420 -0.120 -3.764) 6.600 4.224 ( 1.240 0.042 0.779) 1.465 4.255 ( 4.430 0.063 1.536) 4.689 4.387 ( 1.984 0.145 -1.083) 2.265 4.518 ( -0.579 0.021 4.338) 4.376 4.531 ( 6.305 0.005 -5.178) 8.158 4.768 ( -0.073 0.022 -2.409) 2.410 4.907 ( 2.794 0.113 2.200) 3.558 4.932 ( 2.999 0.020 -0.498) 3.040 5.056 ( -1.874 0.026 4.044) 4.458 5.305 ( 1.649 0.046 -4.515) 4.807 5.380 ( -6.444 0.143 5.602) 8.540 5.493 ( 1.654 0.035 4.696) 4.979 5.839 ( -9.015 0.355 -2.487) 9.359 5.862 ( -2.745 -0.090 -4.084) 4.921 6.771 ( -1.544 -0.036 3.388) 3.723 6.954 ( -0.429 0.166 -1.415) 1.488 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.855 0.012 0.745) 1.134 1.075 ( -1.483 -0.248 -0.382) 1.551 1.467 ( -4.995 2.408 3.159) 6.382 1.627 ( -2.649 -0.574 -0.315) 2.729 1.702 ( -0.075 0.023 3.811) 3.812 1.728 ( 0.187 1.268 0.249) 1.306 1.951 ( 0.373 0.245 0.275) 0.524 1.980 ( 1.790 -0.259 0.820) 1.986 1.998 ( 2.322 -0.818 5.759) 6.264 2.083 ( 0.870 -0.465 3.433) 3.572 2.210 ( 4.199 -0.409 0.972) 4.330 2.242 ( 4.457 -0.477 -0.181) 4.486 2.516 ( -1.930 0.053 -6.918) 7.183 2.790 ( 0.864 -0.072 -6.796) 6.851 3.013 ( 7.529 0.943 3.169) 8.223 3.051 ( -3.012 -0.350 0.743) 3.122 3.116 ( -1.022 -0.924 -2.805) 3.125 3.151 ( 2.986 0.082 0.066) 2.988 3.807 ( -1.349 0.008 1.604) 2.096 3.988 ( -1.543 -0.100 -3.377) 3.714 4.238 ( 0.302 0.040 0.908) 0.958 4.331 ( 2.540 0.141 -0.247) 2.556 4.416 ( 1.624 0.113 1.138) 1.986 4.483 ( -2.664 -0.033 4.179) 4.956 4.646 ( 5.197 0.065 -5.897) 7.860 4.741 ( -2.566 -0.051 -3.043) 3.981 4.970 ( 2.775 0.118 0.610) 2.844 4.978 ( 1.377 -0.001 -0.222) 1.395 5.022 ( -1.189 -0.016 6.928) 7.029 5.276 ( -3.765 0.056 6.483) 7.497 5.327 ( 0.551 0.036 -4.652) 4.684 5.554 ( 5.107 0.094 2.145) 5.540 5.673 ( -7.942 -0.166 -0.661) 7.971 5.821 ( -1.657 0.273 -4.213) 4.535 6.752 ( -0.435 -0.030 3.240) 3.269 6.945 ( -0.472 0.116 -1.767) 1.833 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -0.339 0.602 0.872) 1.112 1.078 ( 2.466 -0.318 -0.105) 2.489 1.383 ( -3.107 -0.267 3.923) 5.011 1.590 ( -2.322 -2.726 -0.178) 3.585 1.666 ( -3.711 0.334 0.637) 3.780 1.690 ( -3.025 -0.817 1.785) 3.606 1.940 ( -1.334 -0.236 1.371) 1.928 1.994 ( -2.763 0.216 7.079) 7.602 2.016 ( 1.364 -0.079 -0.351) 1.410 2.100 ( 1.143 0.032 3.731) 3.902 2.259 ( 0.220 1.434 0.452) 1.519 2.291 ( 0.802 1.059 -0.521) 1.427 2.511 ( 1.451 -0.120 -7.287) 7.431 2.794 ( -0.365 0.076 -7.180) 7.190 2.972 ( -5.258 -0.422 3.310) 6.227 3.092 ( 1.555 1.152 -1.581) 2.499 3.130 ( 1.199 -0.478 -0.486) 1.379 3.154 ( -1.950 0.083 0.370) 1.986 3.807 ( 1.290 -0.020 1.593) 2.050 3.994 ( 2.183 0.118 -3.670) 4.271 4.236 ( -0.563 -0.054 0.880) 1.046 4.321 ( -3.156 -0.186 -0.317) 3.177 4.408 ( -2.373 -0.153 1.241) 2.682 4.486 ( 2.680 0.089 4.351) 5.111 4.641 ( -5.287 -0.108 -6.008) 8.004 4.744 ( 2.438 0.043 -2.997) 3.864 4.965 ( -3.212 -0.030 0.295) 3.226 4.974 ( -1.691 -0.104 -0.203) 1.707 5.022 ( 1.142 -0.012 7.249) 7.338 5.272 ( 3.242 -0.089 6.412) 7.186 5.324 ( -0.842 -0.066 -4.774) 4.849 5.547 ( -4.866 -0.136 2.267) 5.370 5.687 ( 8.356 0.308 -0.949) 8.416 5.801 ( -0.407 -0.423 -3.630) 3.678 6.755 ( 0.686 0.053 2.937) 3.017 6.936 ( -0.413 -0.174 -1.735) 1.792 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.586 0.119 1.703) 1.804 1.133 ( 2.729 0.791 -0.817) 2.957 1.328 ( -5.553 -4.667 4.217) 8.390 1.548 ( -3.301 -3.645 1.005) 5.019 1.617 ( -0.808 -1.432 -0.899) 1.874 1.626 ( -4.261 -1.465 0.305) 4.516 1.875 ( -7.476 -0.153 6.630) 9.993 1.913 ( -2.998 0.194 2.788) 4.098 2.036 ( 0.355 0.987 -1.900) 2.171 2.117 ( 0.306 1.600 2.044) 2.614 2.214 ( -2.983 2.269 0.967) 3.870 2.269 ( -1.907 1.791 -0.362) 2.641 2.556 ( 2.488 -0.269 -5.122) 5.700 2.776 ( -1.511 0.368 -5.598) 5.810 2.833 ( -9.622 0.665 4.487) 10.637 3.025 ( -9.013 -0.308 -0.586) 9.037 3.128 ( 0.823 1.252 -0.780) 1.689 3.152 ( -0.173 0.190 -2.181) 2.196 3.856 ( 3.836 0.004 1.780) 4.229 4.069 ( 5.742 0.376 -4.380) 7.231 4.219 ( -1.241 -0.127 0.757) 1.459 4.247 ( -4.030 -0.240 1.333) 4.252 4.368 ( -2.223 -0.510 -0.566) 2.350 4.518 ( -0.017 0.084 3.835) 3.836 4.529 ( -5.728 -0.124 -4.668) 7.390 4.764 ( -0.445 -0.092 -2.503) 2.544 4.897 ( -2.912 -0.140 1.677) 3.363 4.924 ( -3.245 -0.352 -0.328) 3.280 5.052 ( 1.548 -0.110 4.645) 4.897 5.299 ( -1.752 -0.174 -4.623) 4.947 5.360 ( 5.089 -0.552 5.418) 7.453 5.488 ( -1.767 -0.146 4.384) 4.729 5.801 ( 0.998 -0.890 -2.123) 2.509 5.867 ( 9.638 0.076 -3.006) 10.096 6.777 ( 1.765 0.226 2.539) 3.100 6.931 ( -0.316 -0.650 -1.314) 1.499 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -1.136 -0.350 1.700) 2.074 1.156 ( -0.252 0.388 -1.321) 1.400 1.185 ( -11.306 -4.015 4.149) 12.694 1.484 ( -7.557 -3.099 0.411) 8.178 1.587 ( 0.077 -4.722 0.539) 4.754 1.630 ( -0.062 -3.203 0.614) 3.262 1.714 ( -8.411 -0.592 3.418) 9.098 1.853 ( -2.962 1.313 3.883) 5.057 2.003 ( -3.176 3.655 -1.776) 5.158 2.069 ( -3.937 2.420 -1.186) 4.771 2.157 ( -2.210 1.506 1.978) 3.327 2.226 ( -1.969 -0.162 0.237) 1.990 2.520 ( -10.455 2.341 0.877) 10.750 2.677 ( -1.372 0.433 1.483) 2.066 2.733 ( -2.909 0.812 -2.504) 3.923 2.809 ( -13.198 -0.417 -0.488) 13.214 3.076 ( -5.700 0.549 -0.655) 5.764 3.149 ( -0.536 0.966 -4.984) 5.105 3.937 ( 3.999 0.189 2.104) 4.522 4.175 ( -1.220 0.040 0.736) 1.426 4.196 ( 2.930 0.492 -3.572) 4.646 4.198 ( 0.456 0.109 -0.729) 0.867 4.326 ( -1.912 -0.462 -1.392) 2.409 4.425 ( -4.404 -0.028 -5.679) 7.187 4.507 ( -0.979 0.038 5.430) 5.518 4.736 ( -2.302 -0.660 -2.289) 3.313 4.868 ( -0.841 -0.230 0.750) 1.150 4.882 ( -0.564 -0.328 1.852) 1.963 5.069 ( 0.048 -0.271 2.567) 2.582 5.259 ( -2.701 -0.267 -3.905) 4.756 5.449 ( 2.727 -1.594 4.594) 5.575 5.476 ( 0.883 -0.831 5.193) 5.333 5.829 ( 1.372 -1.887 -0.060) 2.334 6.061 ( 10.741 0.783 -4.448) 11.651 6.818 ( 2.689 0.435 2.251) 3.534 6.932 ( -0.097 -1.167 -0.455) 1.256 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -11.268 -2.114 2.260) 11.685 1.000 ( -5.805 2.298 3.336) 7.079 1.131 ( -1.933 -1.950 -1.250) 3.017 1.312 ( -10.637 -0.400 3.841) 11.317 1.559 ( -6.251 -0.524 0.906) 6.338 1.614 ( -2.270 -8.274 2.239) 8.867 1.654 ( -1.507 -3.801 -0.189) 4.094 1.794 ( -3.466 3.456 1.715) 5.186 1.863 ( -8.496 4.894 2.313) 10.074 1.972 ( -5.718 -0.321 -3.589) 6.759 2.099 ( -3.827 0.346 1.188) 4.022 2.188 ( -2.542 -1.006 1.075) 2.938 2.267 ( -10.034 4.873 1.779) 11.296 2.559 ( -11.239 -0.151 -1.719) 11.370 2.663 ( -4.925 0.808 0.337) 5.002 2.702 ( 1.800 -0.413 1.008) 2.104 2.917 ( -10.564 0.151 -0.547) 10.579 3.124 ( -0.788 1.578 -6.715) 6.943 3.962 ( -1.800 0.416 1.882) 2.638 4.101 ( -5.559 0.374 0.790) 5.627 4.185 ( -5.300 1.011 -3.674) 6.528 4.222 ( 2.850 0.055 1.021) 3.028 4.341 ( 1.033 -0.339 -2.414) 2.647 4.369 ( -1.460 -0.101 -7.229) 7.376 4.538 ( 5.541 0.509 3.838) 6.760 4.696 ( -2.405 -1.910 -1.686) 3.503 4.869 ( 0.997 -0.324 0.635) 1.226 4.896 ( 1.372 0.081 2.991) 3.292 5.061 ( -0.668 0.023 1.028) 1.226 5.196 ( -4.153 -0.455 -2.940) 5.108 5.465 ( -0.023 -1.119 4.719) 4.850 5.530 ( 1.160 -5.248 4.251) 6.853 5.873 ( 2.504 -1.582 2.696) 4.004 6.258 ( 10.551 1.539 -6.320) 12.395 6.872 ( 3.230 0.397 2.582) 4.154 6.942 ( 0.602 -1.352 0.794) 1.679 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -11.179 3.774 4.384) 12.587 0.846 ( -9.516 3.941 4.878) 11.397 1.082 ( -7.560 -1.049 -0.577) 7.654 1.167 ( -1.059 -1.673 2.287) 3.025 1.447 ( -16.419 0.998 5.145) 17.235 1.459 ( -8.184 1.214 7.231) 10.988 1.597 ( -5.065 1.907 -0.549) 5.439 1.649 ( -3.176 -3.701 -1.035) 4.986 1.804 ( -4.311 -1.715 -4.984) 6.810 1.838 ( -5.739 -0.153 2.419) 6.230 2.022 ( -3.571 -2.458 0.904) 4.428 2.153 ( -0.993 -0.150 0.234) 1.031 2.160 ( -0.085 2.256 -0.329) 2.282 2.424 ( -3.252 -0.220 -4.642) 5.672 2.541 ( -7.238 1.085 0.788) 7.362 2.670 ( -10.743 -0.570 -2.115) 10.964 2.765 ( 0.493 0.089 4.973) 4.998 3.124 ( 1.896 1.875 -7.028) 7.516 3.889 ( -4.800 0.417 1.285) 4.986 3.959 ( -8.685 0.412 0.346) 8.702 4.049 ( -7.881 0.998 -2.366) 8.289 4.223 ( -4.658 -0.532 -7.368) 8.733 4.346 ( -0.046 -0.162 0.677) 0.698 4.399 ( 4.591 -0.334 -3.102) 5.551 4.624 ( 0.114 -2.487 1.786) 3.064 4.707 ( 4.499 -0.054 -0.442) 4.521 4.900 ( 1.602 0.144 0.869) 1.828 4.920 ( 1.292 0.256 2.373) 2.714 5.051 ( -0.472 0.306 -0.497) 0.750 5.115 ( -4.032 -0.546 -1.645) 4.389 5.464 ( -1.718 -3.902 4.315) 6.066 5.555 ( -1.655 -8.095 5.246) 9.787 5.935 ( 3.302 -0.285 4.834) 5.861 6.433 ( 8.695 2.404 -9.177) 12.869 6.936 ( 3.546 -0.579 4.470) 5.736 6.969 ( 1.770 -0.501 1.857) 2.614 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -4.652 10.874 6.599) 13.543 0.634 ( -8.998 6.722 11.352) 15.969 0.913 ( -10.795 4.744 -0.731) 11.814 1.057 ( -13.919 3.575 16.326) 21.750 1.218 ( 2.762 -1.723 -2.459) 4.080 1.362 ( -4.667 -0.686 -0.802) 4.785 1.517 ( -2.203 2.266 1.301) 3.418 1.597 ( -4.255 -3.943 -0.651) 5.838 1.622 ( -9.731 -1.703 -0.865) 9.917 1.838 ( 0.877 -0.510 2.339) 2.550 2.021 ( 1.589 -5.073 -0.387) 5.330 2.166 ( 2.314 -0.046 -0.842) 2.463 2.190 ( 2.834 0.633 -2.792) 4.029 2.391 ( -4.788 0.856 -3.865) 6.213 2.411 ( -1.568 0.330 -2.988) 3.391 2.460 ( -9.886 -0.381 -1.585) 10.019 2.820 ( 4.845 -0.429 7.039) 8.556 3.169 ( 3.241 1.725 -6.675) 7.619 3.802 ( -5.821 0.193 0.399) 5.838 3.803 ( -4.563 0.242 0.622) 4.611 3.905 ( -6.236 0.199 -1.303) 6.374 4.038 ( -16.228 -2.356 -12.241) 20.463 4.347 ( 0.145 0.144 1.350) 1.365 4.497 ( 4.646 -0.158 -2.416) 5.239 4.631 ( 0.278 -4.198 6.273) 7.553 4.777 ( 1.948 0.369 0.041) 1.984 4.889 ( -2.925 -0.378 -0.115) 2.951 4.955 ( 1.836 0.996 1.317) 2.469 5.015 ( -2.591 -1.451 -0.708) 3.053 5.088 ( 0.564 0.833 -0.786) 1.276 5.427 ( -5.528 -10.792 7.914) 14.479 5.561 ( -0.957 -5.459 6.687) 8.685 5.991 ( 2.398 0.562 5.666) 6.178 6.551 ( 4.926 2.921 -12.534) 13.781 6.995 ( 1.573 -0.063 4.025) 4.322 7.029 ( 4.768 -1.837 5.248) 7.324 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -0.000 15.515 5.468) 16.451 0.485 ( -0.000 9.866 14.672) 17.681 0.693 ( -0.000 7.557 18.388) 19.880 0.948 ( -0.000 1.035 5.790) 5.882 1.249 ( -0.000 2.126 -8.764) 9.018 1.337 ( 0.000 -5.388 0.073) 5.389 1.491 ( -0.000 2.048 2.605) 3.314 1.514 ( 0.000 -1.059 2.261) 2.497 1.569 ( 0.000 -3.003 -0.289) 3.017 1.853 ( 0.000 -0.998 3.271) 3.420 2.085 ( 0.000 -4.877 -3.072) 5.764 2.212 ( 0.000 -0.936 1.493) 1.762 2.223 ( -0.000 1.199 -4.538) 4.694 2.316 ( -0.000 2.104 -5.265) 5.670 2.340 ( -0.000 0.151 -1.657) 1.664 2.413 ( -0.000 0.281 -5.293) 5.300 2.931 ( 0.000 -3.397 3.999) 5.247 3.203 ( -0.000 1.581 -6.711) 6.895 3.732 ( -0.000 0.117 0.171) 0.208 3.743 ( -0.000 0.174 -0.221) 0.281 3.774 ( -0.000 0.132 1.169) 1.177 3.847 ( -0.000 0.137 -0.748) 0.760 4.348 ( -0.000 0.228 1.397) 1.415 4.543 ( -0.000 0.157 -5.621) 5.624 4.686 ( 0.000 -6.539 11.395) 13.138 4.787 ( -0.000 0.062 0.416) 0.420 4.827 ( -0.000 0.106 -0.569) 0.578 4.962 ( -0.000 0.751 2.033) 2.167 5.005 ( 0.000 -1.804 -0.567) 1.891 5.091 ( -0.000 1.133 -0.663) 1.313 5.417 ( 0.000 -13.008 12.176) 17.817 5.575 ( 0.000 -4.891 7.698) 9.120 6.012 ( -0.000 0.618 5.743) 5.776 6.584 ( -0.000 3.445 -14.115) 14.529 7.008 ( -0.000 0.561 4.098) 4.136 7.114 ( 0.000 -5.560 4.892) 7.406 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 1.019 -0.000 0.693) 1.233 1.074 ( -1.568 0.000 -0.363) 1.609 1.480 ( -5.477 0.000 3.085) 6.286 1.624 ( -3.176 0.000 -0.085) 3.178 1.702 ( -0.165 0.000 3.958) 3.962 1.734 ( -0.302 0.000 -0.102) 0.318 1.952 ( 0.122 -0.000 0.266) 0.293 1.978 ( 1.500 -0.000 -0.932) 1.766 1.993 ( 3.117 -0.000 7.548) 8.166 2.081 ( 1.055 -0.000 3.360) 3.522 2.208 ( 4.479 -0.000 1.019) 4.593 2.240 ( 4.929 -0.000 -0.104) 4.930 2.516 ( -1.960 0.000 -6.904) 7.177 2.790 ( 0.899 -0.000 -6.777) 6.836 3.017 ( 8.181 -0.000 3.030) 8.724 3.050 ( -3.323 0.000 1.195) 3.531 3.111 ( -1.226 0.000 -3.145) 3.376 3.151 ( 2.988 -0.000 0.055) 2.989 3.807 ( -1.353 0.000 1.605) 2.099 3.987 ( -1.497 0.000 -3.357) 3.676 4.239 ( 0.283 -0.000 0.910) 0.953 4.331 ( 2.498 -0.000 -0.239) 2.509 4.417 ( 1.575 -0.000 1.128) 1.938 4.483 ( -2.665 0.000 4.163) 4.943 4.647 ( 5.189 -0.000 -5.890) 7.849 4.741 ( -2.576 0.000 -3.047) 3.989 4.970 ( 2.754 -0.000 0.631) 2.825 4.978 ( 1.361 -0.000 -0.219) 1.379 5.022 ( -1.205 0.000 6.905) 7.009 5.276 ( -3.801 0.000 6.487) 7.518 5.327 ( 0.531 -0.000 -4.643) 4.674 5.555 ( 5.122 -0.000 2.138) 5.551 5.673 ( -7.929 0.000 -0.644) 7.955 5.823 ( -1.784 0.000 -4.251) 4.610 6.752 ( -0.421 0.000 3.261) 3.288 6.945 ( -0.531 0.000 -1.769) 1.847 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.879 0.303 0.753) 1.196 1.075 ( 3.263 -0.206 0.051) 3.270 1.383 ( -4.574 0.090 4.013) 6.086 1.570 ( -2.836 -1.171 0.295) 3.083 1.671 ( -3.169 0.602 1.224) 3.450 1.682 ( -4.028 -0.734 0.389) 4.113 1.938 ( -1.352 -0.088 1.620) 2.112 1.995 ( -3.146 0.076 7.938) 8.539 2.015 ( 2.040 -0.058 -1.162) 2.349 2.100 ( 1.366 -0.003 3.734) 3.976 2.269 ( 0.933 0.590 0.378) 1.167 2.298 ( 1.095 0.335 -0.427) 1.222 2.510 ( 1.375 -0.046 -7.372) 7.499 2.795 ( -0.298 0.026 -7.249) 7.255 2.969 ( -5.223 -0.121 3.315) 6.188 3.101 ( 0.415 0.564 -2.787) 2.873 3.126 ( 2.863 -0.321 0.597) 2.942 3.154 ( -2.219 0.000 0.526) 2.281 3.806 ( 1.283 -0.008 1.591) 2.044 3.995 ( 2.266 0.041 -3.711) 4.348 4.235 ( -0.598 -0.019 0.876) 1.061 4.320 ( -3.242 -0.066 -0.320) 3.258 4.407 ( -2.481 -0.055 1.248) 2.778 4.487 ( 2.685 0.034 4.370) 5.130 4.641 ( -5.296 -0.040 -6.025) 8.022 4.745 ( 2.422 0.014 -2.991) 3.849 4.965 ( -3.251 -0.007 0.245) 3.261 4.974 ( -1.787 -0.040 -0.195) 1.798 5.022 ( 1.161 -0.006 7.299) 7.391 5.271 ( 3.168 -0.033 6.401) 7.142 5.323 ( -0.882 -0.025 -4.791) 4.872 5.547 ( -4.831 -0.049 2.287) 5.345 5.689 ( 8.471 0.116 -0.998) 8.530 5.798 ( -0.747 -0.156 -3.544) 3.626 6.755 ( 0.729 0.020 2.896) 2.986 6.935 ( -0.539 -0.063 -1.730) 1.813 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.736 0.082 1.889) 2.030 1.139 ( 2.919 0.494 -0.746) 3.053 1.292 ( -6.406 -2.572 4.499) 8.240 1.520 ( -3.413 -2.027 1.120) 4.124 1.607 ( -1.960 -0.643 -0.993) 2.289 1.614 ( -4.029 -0.926 -0.510) 4.165 1.874 ( -7.408 -0.094 7.138) 10.288 1.915 ( -2.837 0.115 3.056) 4.172 2.043 ( 0.733 0.484 -2.000) 2.184 2.128 ( 1.289 0.760 2.338) 2.776 2.234 ( -3.428 1.605 0.556) 3.826 2.280 ( -2.381 0.656 -0.351) 2.495 2.554 ( 2.539 -0.151 -5.309) 5.886 2.778 ( -1.393 0.199 -5.777) 5.946 2.838 ( -8.884 0.393 4.453) 9.946 3.023 ( -8.989 -0.179 -0.584) 9.010 3.139 ( 0.566 1.054 -1.054) 1.595 3.152 ( 0.006 -0.233 -1.755) 1.770 3.856 ( 3.874 0.001 1.783) 4.264 4.071 ( 5.813 0.207 -4.509) 7.360 4.218 ( -1.232 -0.070 0.749) 1.444 4.245 ( -3.962 -0.139 1.293) 4.170 4.364 ( -2.276 -0.288 -0.469) 2.342 4.519 ( 0.198 0.081 4.237) 4.243 4.528 ( -5.945 -0.098 -5.063) 7.809 4.764 ( -0.553 -0.054 -2.520) 2.581 4.896 ( -2.878 -0.040 1.666) 3.326 4.921 ( -3.348 -0.243 -0.411) 3.382 5.051 ( 1.461 -0.065 4.799) 5.017 5.297 ( -1.777 -0.100 -4.644) 4.973 5.356 ( 4.789 -0.319 5.380) 7.210 5.486 ( -1.812 -0.085 4.312) 4.678 5.794 ( 0.350 -0.487 -1.912) 2.004 5.868 ( 10.094 0.040 -2.926) 10.509 6.779 ( 1.851 0.143 2.359) 3.002 6.926 ( -0.503 -0.380 -1.283) 1.429 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.650 -0.414 1.680) 2.391 1.151 ( -7.446 -1.844 4.039) 8.669 1.162 ( -2.524 -0.166 -0.586) 2.596 1.451 ( -6.273 -3.423 -0.028) 7.146 1.556 ( -2.255 -1.840 0.778) 3.013 1.602 ( -0.114 -2.440 -0.402) 2.475 1.710 ( -8.833 -0.268 4.560) 9.944 1.864 ( -2.421 0.791 4.641) 5.294 2.030 ( -1.840 1.818 -3.245) 4.150 2.096 ( -4.850 2.822 -0.468) 5.630 2.169 ( -2.161 1.020 2.229) 3.268 2.221 ( -3.347 -0.902 -0.000) 3.467 2.539 ( -8.177 1.489 -0.060) 8.312 2.682 ( -2.698 0.481 1.990) 3.387 2.740 ( -2.697 0.507 -2.745) 3.881 2.806 ( -13.310 -0.287 -0.317) 13.316 3.081 ( -5.931 0.396 -0.582) 5.973 3.157 ( -0.303 0.688 -4.884) 4.942 3.939 ( 4.107 0.131 2.147) 4.636 4.175 ( -1.519 0.019 0.959) 1.797 4.197 ( -0.376 -0.036 0.717) 0.811 4.203 ( 4.455 0.485 -5.378) 7.001 4.323 ( -1.797 -0.327 -1.358) 2.276 4.425 ( -4.389 -0.021 -5.670) 7.170 4.508 ( -0.874 0.058 5.458) 5.528 4.731 ( -2.739 -0.506 -2.267) 3.591 4.867 ( -1.124 -0.038 0.444) 1.209 4.878 ( -0.202 -0.354 2.007) 2.048 5.066 ( 0.048 -0.223 2.841) 2.850 5.256 ( -2.759 -0.204 -3.888) 4.772 5.434 ( 2.557 -1.335 4.578) 5.411 5.469 ( -0.129 -0.470 5.005) 5.029 5.814 ( 1.387 -1.151 0.650) 1.916 6.067 ( 10.953 0.469 -4.464) 11.837 6.822 ( 2.817 0.411 1.863) 3.402 6.921 ( -0.311 -0.919 -0.356) 1.033 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -8.696 -0.688 1.546) 8.859 1.026 ( -4.235 2.934 3.779) 6.390 1.112 ( -3.287 -1.727 -1.115) 3.877 1.304 ( -9.876 -1.295 4.051) 10.753 1.533 ( -3.493 -7.224 2.101) 8.294 1.557 ( -5.871 -0.215 2.675) 6.455 1.620 ( -1.188 -3.310 -0.971) 3.649 1.821 ( -1.538 2.198 2.439) 3.626 1.917 ( -9.842 5.637 1.395) 11.427 1.970 ( -5.983 0.099 -4.224) 7.324 2.098 ( -5.331 -0.452 1.176) 5.478 2.177 ( -2.305 -1.254 1.588) 3.067 2.309 ( -10.385 3.591 1.523) 11.093 2.558 ( -11.281 -0.158 -1.539) 11.386 2.670 ( -4.668 0.674 0.010) 4.717 2.698 ( 1.574 -0.433 0.936) 1.881 2.919 ( -10.665 0.167 -0.298) 10.670 3.138 ( -0.593 1.247 -6.538) 6.682 3.965 ( -1.747 0.340 1.995) 2.674 4.104 ( -5.448 0.286 0.995) 5.545 4.195 ( -5.039 0.985 -3.865) 6.427 4.222 ( 2.891 0.032 1.021) 3.066 4.338 ( 1.004 -0.244 -2.365) 2.581 4.368 ( -1.615 -0.117 -7.229) 7.408 4.544 ( 5.849 0.726 3.574) 6.893 4.676 ( -3.228 -2.005 -1.297) 4.015 4.866 ( 1.128 -0.255 0.637) 1.320 4.897 ( 1.498 0.067 2.959) 3.317 5.061 ( -0.380 0.019 1.152) 1.213 5.191 ( -4.313 -0.457 -2.857) 5.194 5.449 ( -1.317 -2.275 4.395) 5.121 5.487 ( 0.180 -3.074 4.923) 5.807 5.862 ( 3.156 -0.885 3.599) 4.868 6.271 ( 10.829 1.060 -6.436) 12.642 6.878 ( 3.134 0.645 2.013) 3.780 6.928 ( 0.660 -1.394 0.936) 1.805 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -6.723 6.206 2.883) 9.593 0.886 ( -8.592 4.155 3.986) 10.343 1.067 ( -5.076 -1.734 0.110) 5.365 1.154 ( -3.413 -1.191 6.080) 7.074 1.428 ( -12.223 -4.853 4.132) 13.785 1.465 ( -6.047 -0.191 5.524) 8.192 1.596 ( -2.929 -1.621 -0.327) 3.364 1.658 ( -8.499 4.793 -0.478) 9.769 1.794 ( -6.519 -0.209 -5.772) 8.710 1.837 ( -4.502 -0.055 2.022) 4.935 1.994 ( -5.294 -3.138 1.517) 6.339 2.149 ( -0.561 -0.486 1.251) 1.454 2.182 ( -1.806 1.985 -0.661) 2.764 2.422 ( -3.278 -0.192 -4.821) 5.833 2.551 ( -7.184 0.963 0.422) 7.260 2.664 ( -10.496 -0.658 -2.135) 10.731 2.766 ( 0.172 0.111 5.498) 5.502 3.142 ( 1.930 1.681 -6.630) 7.107 3.893 ( -4.851 0.392 1.399) 5.064 3.963 ( -8.766 0.348 0.577) 8.792 4.060 ( -8.001 1.338 -2.769) 8.571 4.216 ( -5.806 -0.896 -7.402) 9.450 4.344 ( 0.139 -0.125 0.633) 0.660 4.395 ( 4.579 -0.389 -2.414) 5.191 4.601 ( -1.581 -2.311 2.472) 3.735 4.706 ( 5.731 -0.115 -0.283) 5.739 4.903 ( 1.930 0.297 0.775) 2.101 4.922 ( 1.322 0.109 2.333) 2.684 5.055 ( -0.620 0.564 -0.674) 1.075 5.108 ( -3.884 -0.807 -1.508) 4.244 5.405 ( -5.918 -7.394 6.287) 11.368 5.506 ( 0.585 -2.589 5.154) 5.797 5.934 ( 3.905 -0.008 5.366) 6.636 6.453 ( 8.820 1.694 -9.516) 13.085 6.931 ( 2.790 -0.491 4.303) 5.152 6.965 ( 2.529 -0.370 1.432) 2.930 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -1.476 12.740 5.086) 13.797 0.699 ( -7.271 6.490 10.990) 14.689 0.946 ( -6.896 1.961 -1.510) 7.327 1.091 ( -13.003 2.227 14.365) 19.504 1.205 ( 1.114 -0.271 3.302) 3.495 1.364 ( -4.932 1.073 -1.582) 5.290 1.537 ( -2.465 1.549 0.606) 2.974 1.557 ( -4.267 -3.923 -0.751) 5.845 1.606 ( -9.436 -1.169 -1.141) 9.576 1.827 ( 0.100 -1.806 -0.239) 1.824 1.973 ( 1.182 -4.651 0.629) 4.840 2.164 ( 1.923 -0.325 -0.007) 1.950 2.193 ( 2.453 -0.039 -3.365) 4.164 2.397 ( -2.239 0.361 -5.776) 6.206 2.415 ( -3.981 0.486 -1.722) 4.365 2.456 ( -9.721 -0.428 -1.603) 9.861 2.815 ( 4.088 -0.524 7.653) 8.693 3.186 ( 3.095 1.687 -6.083) 7.031 3.804 ( -6.060 0.215 0.424) 6.078 3.806 ( -4.512 0.243 0.694) 4.571 3.908 ( -6.828 0.420 -1.511) 7.006 4.012 ( -16.305 -2.817 -9.592) 19.126 4.349 ( 0.275 0.184 1.361) 1.401 4.494 ( 4.843 -0.304 -1.199) 4.999 4.593 ( -0.335 -3.445 6.511) 7.374 4.780 ( 1.742 0.226 0.081) 1.759 4.887 ( -3.273 -0.138 -0.322) 3.292 4.964 ( 1.920 0.764 1.389) 2.490 5.005 ( -2.671 -0.574 -0.490) 2.776 5.094 ( 0.877 0.483 -0.981) 1.402 5.320 ( -6.369 -10.016 11.112) 16.259 5.531 ( 0.730 -1.861 5.054) 5.435 5.996 ( 2.590 0.584 5.928) 6.495 6.574 ( 4.633 1.775 -12.771) 13.700 6.992 ( 2.629 -0.674 5.094) 5.772 7.017 ( 3.112 -0.527 3.154) 4.462 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -0.000 12.102 8.954) 15.054 0.587 ( -0.000 10.876 11.950) 16.158 0.781 ( -0.000 9.859 7.858) 12.608 0.962 ( -0.000 1.909 10.707) 10.876 1.273 ( -0.000 2.856 -7.786) 8.293 1.284 ( 0.000 -5.100 2.262) 5.579 1.501 ( 0.000 -1.595 1.430) 2.142 1.512 ( -0.000 2.250 2.255) 3.186 1.534 ( 0.000 -4.082 -0.131) 4.084 1.840 ( 0.000 -2.007 0.329) 2.033 2.032 ( 0.000 -5.563 -0.858) 5.629 2.202 ( 0.000 -1.114 1.679) 2.015 2.230 ( -0.000 0.028 -6.961) 6.961 2.333 ( -0.000 1.403 -5.267) 5.450 2.342 ( -0.000 0.157 -1.779) 1.786 2.414 ( 0.000 -0.101 -5.542) 5.542 2.898 ( 0.000 -3.138 6.577) 7.287 3.217 ( -0.000 1.370 -5.932) 6.088 3.734 ( -0.000 0.142 0.161) 0.214 3.745 ( -0.000 0.209 -0.256) 0.330 3.776 ( -0.000 0.161 1.159) 1.170 3.848 ( -0.000 0.163 -0.769) 0.786 4.350 ( -0.000 0.299 1.440) 1.471 4.545 ( -0.000 0.281 -5.741) 5.747 4.624 ( 0.000 -5.714 13.504) 14.663 4.788 ( -0.000 0.076 0.410) 0.417 4.828 ( -0.000 0.127 -0.586) 0.599 4.966 ( 0.000 -0.076 2.233) 2.234 4.997 ( -0.000 0.164 -0.016) 0.165 5.101 ( -0.000 0.944 -0.784) 1.228 5.302 ( 0.000 -9.951 13.254) 16.573 5.547 ( 0.000 -1.803 5.328) 5.624 6.018 ( -0.000 0.730 5.957) 6.001 6.609 ( -0.000 1.843 -14.137) 14.257 7.014 ( -0.000 0.587 3.518) 3.566 7.071 ( 0.000 -3.285 5.086) 6.055 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.785 0.000 1.961) 2.112 1.142 ( 3.002 -0.000 -0.714) 3.086 1.280 ( -6.764 0.000 4.596) 8.177 1.510 ( -3.412 0.000 1.162) 3.604 1.604 ( -2.648 0.000 -0.830) 2.775 1.610 ( -3.670 0.000 -0.995) 3.803 1.873 ( -7.380 0.000 7.306) 10.384 1.915 ( -2.785 0.000 3.146) 4.202 2.046 ( 0.851 -0.000 -2.022) 2.194 2.132 ( 1.628 -0.000 2.421) 2.917 2.242 ( -3.573 0.000 0.386) 3.594 2.283 ( -2.560 0.000 -0.292) 2.577 2.553 ( 2.561 -0.000 -5.379) 5.957 2.779 ( -1.350 0.000 -5.844) 5.998 2.840 ( -8.624 0.000 4.437) 9.698 3.022 ( -8.979 0.000 -0.583) 8.998 3.148 ( 1.315 0.000 -2.515) 2.838 3.148 ( -0.766 0.000 -0.238) 0.802 3.856 ( 3.888 -0.000 1.784) 4.277 4.073 ( 5.839 -0.000 -4.555) 7.406 4.217 ( -1.228 0.000 0.745) 1.436 4.244 ( -3.939 0.000 1.278) 4.141 4.363 ( -2.295 0.000 -0.435) 2.336 4.519 ( 0.398 -0.000 4.573) 4.590 4.527 ( -6.146 0.000 -5.395) 8.178 4.763 ( -0.592 0.000 -2.526) 2.595 4.896 ( -2.853 0.000 1.677) 3.309 4.920 ( -3.397 0.000 -0.457) 3.428 5.051 ( 1.428 -0.000 4.857) 5.063 5.297 ( -1.786 0.000 -4.652) 4.983 5.354 ( 4.679 -0.000 5.367) 7.120 5.486 ( -1.830 0.000 4.285) 4.660 5.792 ( 0.144 -0.000 -1.832) 1.838 5.868 ( 10.235 -0.000 -2.900) 10.637 6.780 ( 1.887 -0.000 2.294) 2.970 6.924 ( -0.575 0.000 -1.270) 1.395 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -2.171 -0.211 1.629) 2.722 1.138 ( -7.246 -0.637 5.314) 9.009 1.162 ( -1.351 0.060 -1.446) 1.980 1.426 ( -6.106 -1.447 0.003) 6.276 1.546 ( -3.260 -0.365 0.821) 3.382 1.585 ( -0.196 -0.963 -1.071) 1.454 1.709 ( -8.973 -0.079 5.069) 10.307 1.869 ( -2.149 0.262 5.035) 5.481 2.040 ( -1.438 0.509 -3.725) 4.025 2.118 ( -4.904 1.390 -0.565) 5.128 2.176 ( -1.458 0.479 2.502) 2.936 2.212 ( -4.829 -0.742 -0.056) 4.887 2.549 ( -6.828 0.496 -0.603) 6.873 2.685 ( -3.562 0.219 2.314) 4.253 2.743 ( -2.584 0.164 -2.916) 3.900 2.804 ( -13.368 -0.101 -0.200) 13.370 3.084 ( -6.052 0.144 -0.540) 6.078 3.162 ( -0.189 0.248 -4.833) 4.843 3.940 ( 4.168 0.046 2.171) 4.699 4.175 ( -1.616 0.006 1.045) 1.924 4.197 ( -0.497 -0.018 0.868) 1.001 4.206 ( 4.910 0.184 -5.701) 7.526 4.320 ( -1.730 -0.118 -1.342) 2.193 4.425 ( -4.382 -0.008 -5.666) 7.163 4.508 ( -0.794 0.028 5.475) 5.532 4.727 ( -3.016 -0.192 -2.248) 3.767 4.867 ( -1.554 0.048 0.064) 1.556 4.875 ( 0.277 -0.189 2.285) 2.310 5.065 ( 0.041 -0.088 3.026) 3.027 5.255 ( -2.799 -0.077 -3.879) 4.784 5.425 ( 2.179 -0.511 4.609) 5.123 5.466 ( -0.438 -0.155 4.867) 4.889 5.806 ( 1.432 -0.382 1.022) 1.800 6.070 ( 11.065 0.155 -4.463) 11.932 6.825 ( 2.938 0.178 1.628) 3.363 6.915 ( -0.479 -0.358 -0.280) 0.660 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -6.373 0.028 0.663) 6.407 1.055 ( -2.539 2.890 4.335) 5.796 1.098 ( -4.337 -1.320 -0.995) 4.641 1.287 ( -9.351 -1.938 3.734) 10.253 1.478 ( -5.228 -3.813 4.608) 7.943 1.558 ( -5.710 0.378 1.604) 5.943 1.591 ( -1.168 -2.401 -1.448) 3.038 1.838 ( -0.914 1.121 3.411) 3.705 1.960 ( -10.237 2.100 -0.435) 10.459 1.978 ( -5.167 2.292 -4.240) 7.066 2.090 ( -7.252 -1.159 1.154) 7.434 2.166 ( -1.672 -0.883 2.377) 3.037 2.336 ( -10.713 1.902 1.381) 10.968 2.556 ( -11.275 -0.100 -1.420) 11.365 2.676 ( -4.536 0.469 -0.185) 4.564 2.694 ( 1.425 -0.366 0.854) 1.701 2.920 ( -10.730 0.108 -0.118) 10.731 3.148 ( -0.462 0.682 -6.422) 6.474 3.968 ( -1.708 0.190 2.074) 2.693 4.106 ( -5.379 0.151 1.119) 5.496 4.203 ( -4.763 0.632 -3.991) 6.246 4.222 ( 2.907 0.002 1.024) 3.083 4.337 ( 0.974 -0.119 -2.317) 2.516 4.367 ( -1.745 -0.083 -7.302) 7.508 4.551 ( 6.441 0.659 3.311) 7.272 4.659 ( -4.251 -1.442 -0.881) 4.574 4.864 ( 1.210 -0.138 0.640) 1.375 4.897 ( 1.597 0.036 2.932) 3.339 5.061 ( -0.128 0.007 1.291) 1.297 5.188 ( -4.464 -0.292 -2.824) 5.291 5.424 ( -3.040 -2.198 4.871) 6.148 5.470 ( 0.469 -0.809 4.743) 4.834 5.856 ( 3.566 -0.386 4.083) 5.435 6.279 ( 10.995 0.535 -6.474) 12.771 6.885 ( 3.254 0.756 1.455) 3.643 6.915 ( 0.526 -1.164 1.212) 1.761 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -2.631 5.983 0.385) 6.547 0.924 ( -8.290 3.415 2.438) 9.291 1.057 ( -3.685 0.097 2.511) 4.461 1.141 ( -4.139 -1.629 8.569) 9.655 1.363 ( -10.717 -7.429 6.283) 14.475 1.466 ( -3.945 0.444 2.126) 4.503 1.576 ( -2.124 -2.177 -1.714) 3.492 1.713 ( -11.322 5.415 -0.073) 12.550 1.801 ( -7.503 1.635 -4.013) 8.665 1.837 ( -4.665 -0.102 0.696) 4.718 1.961 ( -6.255 -3.598 1.943) 7.473 2.144 ( -0.329 -0.388 1.882) 1.950 2.198 ( -3.054 1.189 -0.633) 3.338 2.420 ( -3.310 -0.130 -4.940) 5.948 2.559 ( -7.136 0.730 0.207) 7.176 2.657 ( -10.252 -0.584 -2.200) 10.501 2.767 ( -0.169 0.085 5.907) 5.910 3.156 ( 1.960 1.149 -6.324) 6.720 3.896 ( -4.890 0.278 1.496) 5.121 3.966 ( -8.826 0.220 0.737) 8.859 4.074 ( -7.986 1.344 -3.169) 8.696 4.206 ( -7.161 -1.047 -7.401) 10.351 4.343 ( 0.299 -0.070 0.606) 0.680 4.392 ( 4.565 -0.334 -1.691) 4.879 4.581 ( -2.464 -1.602 2.934) 4.152 4.705 ( 6.514 -0.106 -0.120) 6.516 4.906 ( 2.513 0.367 0.684) 2.630 4.922 ( 1.051 -0.065 2.291) 2.521 5.062 ( -0.432 0.779 -0.791) 1.191 5.100 ( -4.001 -0.944 -1.551) 4.393 5.340 ( -7.353 -5.496 8.248) 12.341 5.490 ( 1.169 -0.943 4.445) 4.692 5.934 ( 4.253 0.058 5.670) 7.088 6.466 ( 8.825 0.989 -9.636) 13.104 6.927 ( 2.176 -0.337 4.245) 4.782 6.962 ( 3.209 -0.199 1.088) 3.394 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -3.437 8.659 8.215) 12.421 0.763 ( -2.691 9.041 4.963) 10.659 0.956 ( -5.117 0.531 1.293) 5.305 1.090 ( -8.164 -2.044 10.901) 13.772 1.211 ( -1.003 0.527 7.538) 7.623 1.381 ( -4.544 2.369 -1.554) 5.355 1.518 ( -5.106 -3.316 -1.324) 6.231 1.552 ( -3.923 0.871 -0.609) 4.064 1.604 ( -8.633 0.805 -0.278) 8.675 1.804 ( -1.155 -2.862 -2.109) 3.738 1.933 ( 1.050 -3.604 0.809) 3.840 2.160 ( 1.652 -0.376 0.698) 1.832 2.190 ( 1.644 -0.547 -2.880) 3.361 2.399 ( -0.421 -0.043 -6.623) 6.637 2.421 ( -5.881 0.658 -1.340) 6.068 2.452 ( -9.518 -0.447 -1.644) 9.669 2.810 ( 3.399 -0.506 8.257) 8.944 3.201 ( 2.903 1.313 -5.606) 6.449 3.806 ( -6.407 0.188 0.440) 6.425 3.808 ( -4.331 0.189 0.770) 4.403 3.914 ( -7.661 0.740 -1.813) 7.907 3.985 ( -15.638 -2.753 -7.102) 17.395 4.351 ( 0.398 0.182 1.397) 1.464 4.491 ( 4.885 -0.478 0.959) 5.001 4.567 ( -0.343 -1.947 4.712) 5.110 4.782 ( 1.611 0.124 0.143) 1.622 4.887 ( -3.565 0.037 -0.482) 3.598 4.969 ( 1.632 0.372 1.444) 2.211 5.005 ( -1.984 0.431 -0.964) 2.248 5.096 ( 1.076 -0.110 -1.196) 1.613 5.239 ( -5.294 -6.669 12.349) 15.000 5.517 ( 1.009 -1.011 4.295) 4.527 6.001 ( 2.731 0.465 6.136) 6.733 6.587 ( 4.291 0.971 -12.628) 13.373 6.984 ( 3.163 -0.771 5.806) 6.657 7.016 ( 2.407 0.146 1.723) 2.964 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -0.000 8.589 13.580) 16.068 0.691 ( -0.000 10.008 10.055) 14.186 0.867 ( -0.000 6.912 -3.010) 7.539 0.987 ( -0.000 3.010 15.282) 15.575 1.247 ( 0.000 -1.912 4.983) 5.337 1.303 ( -0.000 3.224 -6.543) 7.294 1.482 ( 0.000 -2.794 0.225) 2.803 1.493 ( 0.000 -3.793 0.128) 3.795 1.535 ( -0.000 2.406 1.612) 2.896 1.812 ( 0.000 -3.500 -2.451) 4.273 1.981 ( 0.000 -4.729 0.149) 4.731 2.191 ( 0.000 -1.039 1.879) 2.148 2.224 ( 0.000 -1.297 -6.468) 6.597 2.343 ( -0.000 0.128 -1.903) 1.907 2.345 ( -0.000 1.043 -4.818) 4.930 2.411 ( 0.000 -0.473 -5.819) 5.838 2.871 ( 0.000 -2.433 8.481) 8.823 3.229 ( -0.000 1.084 -5.356) 5.464 3.735 ( -0.000 0.134 0.150) 0.201 3.747 ( -0.000 0.195 -0.294) 0.353 3.777 ( -0.000 0.153 1.147) 1.157 3.850 ( -0.000 0.152 -0.790) 0.805 4.353 ( -0.000 0.314 1.515) 1.548 4.548 ( -0.000 0.150 -4.416) 4.419 4.579 ( 0.000 -3.487 11.772) 12.278 4.788 ( -0.000 0.072 0.404) 0.410 4.830 ( -0.000 0.118 -0.604) 0.615 4.964 ( 0.000 -0.136 1.972) 1.977 5.005 ( -0.000 1.152 0.150) 1.162 5.108 ( -0.000 0.442 -1.251) 1.327 5.222 ( 0.000 -6.720 12.426) 14.127 5.533 ( 0.000 -1.138 4.428) 4.571 6.025 ( -0.000 0.658 6.162) 6.197 6.622 ( -0.000 0.896 -13.613) 13.642 7.018 ( -0.000 0.200 3.880) 3.885 7.049 ( 0.000 -1.452 3.927) 4.187 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -5.460 0.000 0.268) 5.466 1.074 ( -0.133 0.000 5.854) 5.855 1.088 ( -6.135 0.000 -2.167) 6.506 1.276 ( -9.355 0.000 3.398) 9.953 1.460 ( -6.123 0.000 5.532) 8.252 1.562 ( -6.232 0.000 1.599) 6.434 1.578 ( -0.588 0.000 -1.851) 1.942 1.843 ( -0.722 0.000 3.807) 3.875 1.966 ( -8.935 0.000 -2.935) 9.405 1.997 ( -5.790 0.000 -2.846) 6.451 2.082 ( -8.507 0.000 1.448) 8.629 2.161 ( -1.315 0.000 2.761) 3.058 2.345 ( -10.845 0.000 1.337) 10.927 2.556 ( -11.267 0.000 -1.380) 11.352 2.678 ( -4.658 0.000 -0.273) 4.666 2.692 ( 1.537 -0.000 0.842) 1.752 2.921 ( -10.753 0.000 -0.053) 10.753 3.151 ( -0.416 0.000 -6.381) 6.395 3.969 ( -1.694 0.000 2.102) 2.700 4.107 ( -5.356 0.000 1.159) 5.480 4.206 ( -4.655 0.000 -4.047) 6.169 4.222 ( 2.925 -0.000 1.041) 3.105 4.336 ( 0.960 -0.000 -2.296) 2.489 4.366 ( -1.798 0.000 -7.349) 7.565 4.555 ( 6.869 -0.000 3.186) 7.572 4.651 ( -4.851 0.000 -0.685) 4.899 4.864 ( 1.237 -0.000 0.641) 1.393 4.898 ( 1.635 -0.000 2.921) 3.347 5.061 ( -0.026 0.000 1.355) 1.355 5.186 ( -4.527 0.000 -2.819) 5.333 5.413 ( -3.567 0.000 5.125) 6.244 5.466 ( 0.513 -0.000 4.597) 4.626 5.854 ( 3.702 -0.000 4.234) 5.624 6.281 ( 11.051 -0.000 -6.481) 12.811 6.889 ( 3.704 -0.000 1.044) 3.849 6.908 ( 0.072 -0.000 1.525) 1.527 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -0.077 2.445 -1.864) 3.075 0.947 ( -8.213 1.024 0.308) 8.282 1.076 ( -3.854 3.788 6.463) 8.425 1.117 ( -2.442 -3.446 8.280) 9.294 1.303 ( -11.496 -3.712 7.991) 14.484 1.471 ( -3.526 0.374 1.648) 3.910 1.559 ( -1.854 -1.136 -3.021) 3.722 1.751 ( -12.036 2.018 -1.085) 12.252 1.820 ( -4.433 1.474 -1.299) 4.849 1.837 ( -8.828 0.432 -1.076) 8.904 1.929 ( -6.131 -2.435 2.475) 7.046 2.142 ( -0.206 -0.147 2.231) 2.246 2.205 ( -3.745 0.387 -0.580) 3.809 2.419 ( -3.331 -0.046 -4.996) 6.005 2.565 ( -7.099 0.289 0.137) 7.106 2.653 ( -10.104 -0.247 -2.272) 10.360 2.767 ( -0.389 0.031 6.125) 6.137 3.164 ( 1.978 0.407 -6.160) 6.482 3.898 ( -4.910 0.100 1.551) 5.151 3.967 ( -8.857 0.074 0.812) 8.895 4.084 ( -7.837 0.624 -3.434) 8.579 4.198 ( -8.204 -0.524 -7.361) 11.034 4.343 ( 0.393 -0.021 0.595) 0.713 4.389 ( 4.558 -0.135 -1.206) 4.716 4.571 ( -2.760 -0.565 3.121) 4.204 4.704 ( 6.903 -0.042 -0.014) 6.903 4.909 ( 3.293 0.208 0.562) 3.347 4.921 ( 0.453 -0.097 2.318) 2.364 5.069 ( 0.524 0.576 -0.734) 1.070 5.091 ( -4.882 -0.630 -1.768) 5.230 5.303 ( -7.719 -1.936 9.194) 12.160 5.485 ( 1.250 -0.276 4.146) 4.339 5.935 ( 4.414 0.029 5.814) 7.299 6.473 ( 8.805 0.324 -9.665) 13.078 6.924 ( 1.849 -0.121 4.231) 4.619 6.961 ( 3.592 -0.059 0.905) 3.705 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -5.581 2.861 9.429) 11.324 0.868 ( 1.223 9.600 -0.922) 9.722 0.960 ( -4.696 0.252 4.388) 6.433 1.064 ( -8.727 -2.866 12.991) 15.910 1.203 ( 3.072 -2.041 7.130) 8.028 1.407 ( -3.403 2.629 -0.716) 4.359 1.489 ( -6.600 -2.639 -3.376) 7.869 1.563 ( -6.133 1.329 -0.492) 6.294 1.617 ( -8.008 1.524 0.980) 8.210 1.776 ( -2.203 -2.521 -2.844) 4.393 1.904 ( 1.025 -2.212 -0.040) 2.438 2.157 ( 1.506 -0.244 1.175) 1.925 2.184 ( 0.871 -0.494 -2.022) 2.256 2.398 ( 0.053 -0.123 -6.744) 6.745 2.427 ( -6.433 0.586 -1.482) 6.628 2.448 ( -9.401 -0.402 -1.693) 9.561 2.806 ( 2.927 -0.319 8.683) 9.168 3.211 ( 2.750 0.715 -5.305) 6.018 3.808 ( -6.795 0.111 0.442) 6.810 3.809 ( -4.054 0.100 0.831) 4.139 3.923 ( -8.469 1.110 -2.173) 8.814 3.960 ( -14.683 -2.239 -5.324) 15.778 4.352 ( 0.486 0.116 1.437) 1.521 4.486 ( 4.698 -0.396 3.064) 5.623 4.554 ( 0.052 -0.720 2.409) 2.515 4.783 ( 1.535 0.054 0.198) 1.549 4.887 ( -3.770 0.079 -0.583) 3.816 4.971 ( 1.251 0.099 1.451) 1.919 5.012 ( -1.041 0.882 -2.271) 2.649 5.092 ( 0.803 -0.766 -0.397) 1.178 5.191 ( -4.248 -3.125 12.856) 13.896 5.510 ( 1.070 -0.487 3.925) 4.097 6.005 ( 2.819 0.255 6.269) 6.879 6.594 ( 4.050 0.423 -12.451) 13.100 6.978 ( 3.239 -0.419 5.930) 6.770 7.018 ( 2.326 0.170 1.206) 2.625 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -0.000 5.294 15.170) 16.067 0.777 ( -0.000 7.361 8.915) 11.561 0.914 ( -0.000 3.547 -1.102) 3.714 1.006 ( -0.000 0.083 10.296) 10.296 1.254 ( -0.000 3.081 7.672) 8.268 1.335 ( -0.000 3.086 -5.175) 6.026 1.444 ( 0.000 -4.063 -0.003) 4.063 1.467 ( 0.000 -2.065 -0.801) 2.215 1.558 ( -0.000 2.261 0.971) 2.461 1.775 ( 0.000 -3.801 -3.826) 5.393 1.941 ( 0.000 -3.550 -0.529) 3.589 2.182 ( 0.000 -0.734 2.048) 2.176 2.209 ( 0.000 -1.522 -4.448) 4.701 2.344 ( -0.000 0.081 -2.002) 2.003 2.353 ( -0.000 0.728 -4.353) 4.414 2.406 ( 0.000 -0.494 -6.135) 6.155 2.851 ( 0.000 -1.530 9.619) 9.740 3.238 ( -0.000 0.720 -5.025) 5.076 3.736 ( -0.000 0.096 0.140) 0.170 3.748 ( -0.000 0.138 -0.324) 0.352 3.779 ( -0.000 0.110 1.137) 1.142 3.851 ( -0.000 0.106 -0.808) 0.815 4.356 ( -0.000 0.247 1.599) 1.618 4.542 ( 0.000 -1.319 8.144) 8.251 4.561 ( 0.000 -0.282 -1.936) 1.957 4.789 ( -0.000 0.051 0.399) 0.402 4.831 ( -0.000 0.083 -0.618) 0.624 4.964 ( -0.000 0.066 1.798) 1.799 5.018 ( -0.000 1.517 -0.658) 1.653 5.107 ( 0.000 -0.986 -0.759) 1.244 5.171 ( 0.000 -3.527 12.028) 12.535 5.524 ( 0.000 -0.688 3.961) 4.020 6.031 ( -0.000 0.449 6.314) 6.330 6.628 ( -0.000 0.387 -13.125) 13.131 7.017 ( 0.000 -0.331 5.209) 5.220 7.042 ( 0.000 -0.160 2.042) 2.048 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -5.398 0.000 8.553) 10.114 0.924 ( 4.502 -0.000 -5.779) 7.326 0.959 ( -6.321 0.000 6.613) 9.148 1.045 ( -11.738 0.000 17.162) 20.792 1.189 ( 6.229 -0.000 6.524) 9.020 1.424 ( -1.744 0.000 0.929) 1.976 1.473 ( -7.986 0.000 -5.792) 9.865 1.571 ( -7.040 0.000 -0.075) 7.041 1.626 ( -8.200 0.000 1.572) 8.349 1.762 ( -2.450 0.000 -3.020) 3.888 1.893 ( 0.993 -0.000 -0.637) 1.180 2.156 ( 1.462 -0.000 1.344) 1.986 2.182 ( 0.560 -0.000 -1.614) 1.709 2.397 ( 0.105 -0.000 -6.748) 6.749 2.431 ( -6.395 0.000 -1.558) 6.582 2.445 ( -9.482 0.000 -1.718) 9.637 2.804 ( 2.760 -0.000 8.833) 9.255 3.214 ( 2.694 -0.000 -5.203) 5.859 3.808 ( -6.994 0.000 0.438) 7.008 3.810 ( -3.893 0.000 0.857) 3.986 3.932 ( -7.464 0.000 -2.032) 7.736 3.945 ( -15.586 0.000 -4.986) 16.364 4.353 ( 0.518 -0.000 1.454) 1.544 4.484 ( 4.579 -0.000 3.848) 5.981 4.551 ( 0.271 -0.000 1.486) 1.510 4.783 ( 1.510 -0.000 0.220) 1.526 4.888 ( -3.847 0.000 -0.618) 3.896 4.972 ( 1.137 -0.000 1.439) 1.834 5.017 ( -0.581 0.000 -3.420) 3.469 5.086 ( 0.371 -0.000 0.972) 1.041 5.177 ( -3.692 0.000 12.625) 13.154 5.508 ( 1.081 -0.000 3.810) 3.960 6.006 ( 2.849 -0.000 6.315) 6.928 6.596 ( 3.965 -0.000 -12.379) 12.999 6.976 ( 3.246 -0.000 5.946) 6.774 7.019 ( 2.332 -0.000 1.067) 2.565 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -0.000 1.670 14.239) 14.336 0.828 ( -0.000 2.795 8.404) 8.857 0.947 ( -0.000 3.132 9.905) 10.389 0.990 ( 0.000 -2.604 0.487) 2.649 1.287 ( -0.000 2.348 8.103) 8.437 1.360 ( -0.000 1.824 -4.142) 4.526 1.412 ( 0.000 -2.108 0.171) 2.115 1.451 ( 0.000 -1.017 -1.923) 2.175 1.575 ( -0.000 1.073 0.705) 1.284 1.746 ( 0.000 -1.761 -4.142) 4.501 1.915 ( 0.000 -1.494 -1.681) 2.249 2.177 ( 0.000 -0.264 2.146) 2.162 2.198 ( 0.000 -0.644 -2.747) 2.822 2.345 ( -0.000 0.027 -2.056) 2.057 2.358 ( -0.000 0.267 -4.038) 4.047 2.403 ( 0.000 -0.199 -6.394) 6.398 2.841 ( 0.000 -0.523 10.120) 10.133 3.243 ( -0.000 0.255 -4.880) 4.887 3.737 ( -0.000 0.035 0.135) 0.139 3.749 ( -0.000 0.050 -0.341) 0.345 3.779 ( -0.000 0.040 1.131) 1.131 3.852 ( -0.000 0.038 -0.818) 0.819 4.358 ( -0.000 0.095 1.656) 1.659 4.532 ( 0.000 -0.575 11.484) 11.499 4.561 ( -0.000 0.124 -6.062) 6.064 4.789 ( -0.000 0.019 0.396) 0.396 4.831 ( -0.000 0.030 -0.627) 0.627 4.964 ( -0.000 0.058 1.727) 1.728 5.032 ( -0.000 1.128 -3.062) 3.263 5.091 ( 0.000 -1.488 4.104) 4.365 5.153 ( 0.000 -0.665 9.335) 9.359 5.519 ( 0.000 -0.233 3.749) 3.757 6.034 ( -0.000 0.158 6.394) 6.396 6.630 ( -0.000 0.106 -12.854) 12.854 7.014 ( 0.000 -0.179 5.710) 5.713 7.042 ( -0.000 0.058 1.282) 1.283 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 0.000 0.000 12.581) 12.581 0.648 ( 0.000 0.000 -10.292) 10.292 0.715 ( 0.000 0.000 17.202) 17.202 1.006 ( 0.000 0.000 -13.888) 13.888 1.196 ( 0.000 0.000 12.726) 12.726 1.336 ( 0.000 0.000 -4.691) 4.691 1.566 ( 0.000 0.000 1.573) 1.573 1.587 ( 0.000 0.000 -0.811) 0.811 1.660 ( 0.000 0.000 19.643) 19.643 1.969 ( 0.000 0.000 5.641) 5.641 2.027 ( 0.000 0.000 -10.594) 10.594 2.096 ( 0.000 0.000 -12.145) 12.145 2.256 ( 0.000 0.000 2.247) 2.247 2.259 ( 0.000 0.000 2.039) 2.039 2.301 ( 0.000 0.000 -2.376) 2.376 2.311 ( 0.000 0.000 -3.823) 3.823 2.986 ( 0.000 0.000 1.506) 1.506 3.047 ( 0.000 0.000 -5.469) 5.469 3.735 ( 0.000 0.000 0.208) 0.208 3.738 ( 0.000 0.000 -0.138) 0.138 3.799 ( 0.000 0.000 1.507) 1.507 3.826 ( 0.000 0.000 -1.302) 1.302 4.384 ( 0.000 0.000 2.818) 2.818 4.451 ( 0.000 0.000 -4.281) 4.281 4.798 ( 0.000 0.000 0.748) 0.748 4.813 ( 0.000 0.000 -0.829) 0.829 4.864 ( 0.000 0.000 5.032) 5.032 4.945 ( 0.000 0.000 -3.249) 3.249 5.018 ( 0.000 0.000 1.248) 1.248 5.050 ( 0.000 0.000 -1.586) 1.586 5.615 ( 0.000 0.000 5.120) 5.120 5.708 ( 0.000 0.000 -4.632) 4.632 6.142 ( 0.000 0.000 8.932) 8.932 6.327 ( 0.000 0.000 -10.440) 10.440 7.098 ( 0.000 0.000 4.689) 4.689 7.171 ( 0.000 0.000 -3.178) 3.178 ======================= Grid point 351 (100/147) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 10.810 -1.764 9.675) 14.615 0.700 ( 6.339 -0.864 -2.510) 6.873 0.837 ( 9.854 -1.730 7.614) 12.572 1.052 ( 3.672 -0.846 -11.459) 12.063 1.281 ( 7.953 -0.843 7.931) 11.263 1.368 ( 3.728 -0.130 -2.906) 4.729 1.632 ( 4.197 0.906 1.825) 4.666 1.637 ( 6.692 0.657 -0.259) 6.729 1.692 ( 4.527 -0.080 18.835) 19.371 1.950 ( -1.161 1.317 5.556) 5.827 2.028 ( 0.307 0.527 -6.933) 6.960 2.077 ( -0.993 -0.270 -9.946) 9.999 2.184 ( -3.726 0.046 1.550) 4.035 2.247 ( -0.526 0.133 -6.823) 6.845 2.396 ( 7.870 -0.134 1.288) 7.976 2.429 ( 9.439 0.068 -2.072) 9.664 2.916 ( -5.076 -0.273 3.969) 6.449 3.004 ( -3.837 -0.721 -6.181) 7.311 3.807 ( 6.479 -0.085 0.560) 6.503 3.812 ( 4.591 -0.085 0.318) 4.603 3.883 ( 5.785 0.035 -0.845) 5.847 3.899 ( 10.125 -0.040 -3.768) 10.804 4.381 ( -0.433 0.038 2.413) 2.452 4.435 ( -1.898 0.096 -3.290) 3.799 4.747 ( -3.932 0.315 1.957) 4.403 4.767 ( -3.355 -0.179 -0.379) 3.381 4.914 ( 2.584 0.394 1.406) 2.969 4.943 ( -0.428 -0.099 -1.003) 1.095 5.029 ( 1.487 0.404 0.177) 1.551 5.047 ( -0.187 -0.629 -1.208) 1.374 5.611 ( -0.179 0.866 5.437) 5.508 5.709 ( 0.391 2.114 -4.833) 5.289 6.119 ( -2.536 -0.319 8.877) 9.238 6.300 ( -3.008 -0.649 -10.197) 10.651 7.073 ( -2.315 0.315 3.588) 4.282 7.115 ( -4.807 0.743 -0.560) 4.897 ======================= Grid point 352 (101/147) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 14.769 0.379 6.228) 16.033 0.866 ( 9.483 -0.483 1.111) 9.560 1.049 ( 10.882 -1.203 0.085) 10.949 1.117 ( 2.612 -0.968 -5.406) 6.082 1.444 ( 7.841 -1.242 1.474) 8.075 1.487 ( 7.552 -2.920 -2.279) 8.411 1.704 ( 4.449 1.384 6.361) 7.885 1.771 ( 6.675 3.128 -3.477) 8.151 1.854 ( 10.601 3.289 14.681) 18.405 1.927 ( -0.089 1.447 4.139) 4.385 2.019 ( 0.505 -2.464 -0.892) 2.669 2.118 ( 3.504 -0.266 -2.436) 4.276 2.141 ( 0.263 -1.226 0.669) 1.421 2.268 ( 4.426 0.169 -12.424) 13.190 2.566 ( 8.806 -0.174 2.988) 9.301 2.626 ( 10.195 0.118 -3.228) 10.695 2.844 ( -2.175 -0.608 4.403) 4.948 2.944 ( -2.271 -1.177 -6.905) 7.363 3.911 ( 5.466 -0.332 1.835) 5.775 3.943 ( 7.233 -0.443 -1.269) 7.357 4.020 ( 7.913 -0.065 0.930) 7.968 4.085 ( 8.612 -0.087 -6.100) 10.554 4.360 ( -1.992 0.148 0.475) 2.053 4.369 ( -4.985 0.071 -0.681) 5.031 4.678 ( -4.329 0.493 0.875) 4.444 4.694 ( -2.367 -0.042 -0.740) 2.481 4.922 ( -1.395 0.183 1.132) 1.806 4.936 ( -0.531 -0.012 -0.076) 0.536 5.054 ( 1.630 0.005 0.898) 1.861 5.081 ( 3.283 -0.173 -1.877) 3.786 5.601 ( -0.400 1.203 5.652) 5.793 5.694 ( -0.800 2.942 -3.955) 4.993 6.053 ( -4.480 -0.385 7.973) 9.154 6.220 ( -5.884 -0.956 -9.317) 11.061 7.016 ( -4.643 0.736 1.924) 5.079 7.019 ( -3.002 0.531 1.416) 3.361 ======================= Grid point 353 (102/147) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 5.154 -0.043 2.896) 5.912 1.055 ( 9.663 1.372 -0.304) 9.765 1.163 ( 6.405 1.401 3.720) 7.539 1.273 ( 11.553 0.683 -5.972) 13.023 1.606 ( 8.613 -3.002 3.051) 9.618 1.650 ( 7.609 -3.405 -1.288) 8.435 1.764 ( 2.270 5.536 1.977) 6.302 1.806 ( -0.463 5.467 -1.890) 5.803 1.911 ( 0.629 -0.394 3.146) 3.232 1.937 ( 1.609 -1.788 -0.710) 2.508 2.128 ( 1.847 -0.589 5.471) 5.805 2.197 ( 2.474 0.219 -1.746) 3.036 2.257 ( 16.626 -3.348 8.645) 19.036 2.462 ( 14.535 -0.676 -9.543) 17.401 2.677 ( 2.031 -0.095 2.037) 2.878 2.711 ( -1.456 0.208 -1.088) 1.830 2.907 ( 8.104 -0.533 0.626) 8.145 2.960 ( 3.661 -1.252 -5.559) 6.773 3.999 ( 2.840 -0.485 3.124) 4.250 4.065 ( 4.733 -0.654 -3.518) 5.934 4.153 ( 5.311 -0.148 2.124) 5.722 4.222 ( 6.066 -0.098 -3.984) 7.258 4.264 ( -5.143 -0.046 0.143) 5.145 4.301 ( -3.426 0.115 -2.560) 4.278 4.613 ( -1.601 0.206 4.062) 4.371 4.678 ( 0.449 0.634 -2.957) 3.057 4.893 ( -1.264 0.215 1.181) 1.743 4.913 ( -1.388 0.110 -0.647) 1.535 5.096 ( 2.362 -0.045 2.534) 3.464 5.146 ( 3.253 0.030 -2.833) 4.314 5.584 ( -0.680 1.229 5.055) 5.247 5.649 ( -2.387 2.538 -1.269) 3.708 5.959 ( -5.417 -0.095 5.432) 7.671 6.092 ( -7.896 -0.935 -7.828) 11.158 6.935 ( -3.532 0.567 2.911) 4.612 6.967 ( -2.208 0.740 -0.593) 2.403 ======================= Grid point 354 (103/147) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.651 -0.145 2.402) 2.493 1.108 ( -0.183 -0.495 -2.397) 2.455 1.368 ( 12.671 4.326 5.616) 14.519 1.479 ( 10.721 3.126 -5.610) 12.497 1.713 ( -2.002 5.447 0.050) 5.804 1.715 ( -3.029 6.342 0.122) 7.029 1.796 ( 9.386 -3.452 3.662) 10.650 1.835 ( 6.035 -3.680 -0.558) 7.090 1.960 ( 3.134 -2.787 2.655) 4.964 1.995 ( 2.784 -2.536 -1.607) 4.095 2.167 ( 2.009 -1.171 4.526) 5.088 2.230 ( 1.208 0.081 -1.113) 1.645 2.554 ( 7.110 -0.558 6.388) 9.574 2.665 ( -1.895 0.082 -3.584) 4.055 2.689 ( 4.687 -0.915 1.192) 4.922 2.752 ( 14.490 -0.652 -5.782) 15.614 3.047 ( 5.293 -0.649 -0.971) 5.420 3.052 ( 4.145 -0.904 -1.776) 4.599 3.989 ( -3.931 -0.288 3.894) 5.541 4.076 ( -4.442 -0.413 -5.330) 6.950 4.208 ( 2.528 -0.039 1.616) 3.001 4.217 ( 0.430 0.038 0.713) 0.833 4.308 ( 3.743 0.265 -0.905) 3.860 4.331 ( 5.640 0.053 -3.654) 6.721 4.610 ( 0.749 0.161 5.280) 5.335 4.695 ( 1.238 0.397 -3.671) 3.894 4.883 ( 0.630 0.369 0.501) 0.886 4.896 ( -0.009 0.240 -0.623) 0.668 5.132 ( 1.310 0.037 3.568) 3.801 5.197 ( 2.054 0.132 -3.390) 3.966 5.564 ( -1.003 1.135 3.813) 4.103 5.583 ( -3.339 1.418 2.499) 4.405 5.857 ( -5.075 0.324 1.548) 5.316 5.939 ( -8.469 -0.740 -5.991) 10.400 6.877 ( -2.334 0.437 3.469) 4.204 6.930 ( -1.419 0.763 -2.028) 2.591 ======================= Grid point 355 (104/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -0.540 -0.483 1.840) 1.978 1.093 ( -1.431 -0.749 -1.566) 2.250 1.522 ( 3.596 4.996 5.035) 7.952 1.614 ( 1.840 3.576 -4.297) 5.885 1.649 ( 1.520 3.922 0.749) 4.272 1.662 ( 2.653 3.053 -0.582) 4.086 1.938 ( 2.775 -1.205 1.403) 3.335 1.958 ( 3.845 -2.190 -0.279) 4.434 2.044 ( 6.101 -1.993 4.766) 7.995 2.081 ( 5.027 -3.501 -0.084) 6.126 2.218 ( 2.587 -1.105 3.903) 4.811 2.246 ( 0.595 -0.884 1.461) 1.808 2.507 ( -5.692 0.617 0.562) 5.752 2.623 ( -2.201 0.224 -9.467) 9.722 2.901 ( 10.587 -0.612 4.348) 11.461 2.982 ( 8.769 -0.067 -4.234) 9.738 3.101 ( 1.241 -0.762 0.403) 1.511 3.113 ( 1.470 -1.058 -0.691) 1.938 3.904 ( -4.099 -0.040 3.369) 5.305 3.978 ( -4.720 -0.168 -4.403) 6.457 4.242 ( 1.564 0.198 1.332) 2.064 4.263 ( 2.857 0.300 -0.527) 2.921 4.384 ( 4.198 0.339 1.706) 4.544 4.440 ( 5.890 0.217 -4.080) 7.168 4.614 ( -0.794 -0.034 5.368) 5.427 4.705 ( -0.464 0.062 -4.200) 4.226 4.914 ( 2.685 0.342 0.201) 2.714 4.921 ( 2.731 0.214 -0.558) 2.796 5.143 ( -0.071 0.044 4.549) 4.550 5.222 ( 0.829 0.165 -4.141) 4.227 5.501 ( -3.955 0.733 6.658) 7.779 5.554 ( -0.143 0.566 1.356) 1.476 5.770 ( -4.305 0.347 -1.994) 4.757 5.790 ( -6.934 -0.372 -3.859) 7.944 6.841 ( -1.335 0.288 3.851) 4.086 6.906 ( -0.812 0.573 -2.891) 3.057 ======================= Grid point 356 (105/147) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.252 -0.410 1.094) 1.195 1.071 ( -0.938 -0.295 -0.681) 1.196 1.494 ( -1.321 2.021 4.961) 5.517 1.580 ( -1.072 1.333 -3.893) 4.253 1.708 ( 3.056 1.633 1.408) 3.740 1.729 ( 2.537 1.211 -0.451) 2.847 1.961 ( 0.099 -0.261 0.950) 0.990 1.980 ( -0.479 -0.665 -1.106) 1.376 2.169 ( 3.011 -1.050 4.638) 5.628 2.203 ( 6.745 -1.765 4.608) 8.357 2.253 ( 0.986 -0.674 2.974) 3.205 2.274 ( 1.003 -0.106 5.055) 5.155 2.388 ( -5.861 0.368 -2.876) 6.539 2.588 ( -1.100 0.232 -14.238) 14.282 3.034 ( 3.377 0.677 1.467) 3.743 3.054 ( 0.147 -0.101 -1.019) 1.034 3.128 ( 0.520 -0.946 1.087) 1.532 3.148 ( 2.099 -0.403 -0.604) 2.221 3.851 ( -1.447 0.018 3.041) 3.368 3.918 ( -1.630 -0.049 -3.999) 4.319 4.262 ( 0.588 0.120 1.792) 1.889 4.300 ( 1.052 0.217 -2.056) 2.320 4.462 ( 3.698 0.266 3.696) 5.235 4.542 ( 4.340 0.236 -4.850) 6.513 4.579 ( -2.463 -0.170 5.391) 5.929 4.674 ( -2.390 -0.137 -4.522) 5.116 4.969 ( 2.387 0.111 0.083) 2.391 4.972 ( 1.927 0.092 -0.239) 1.944 5.134 ( -0.567 0.016 5.164) 5.196 5.230 ( 0.134 0.081 -5.220) 5.222 5.436 ( -2.104 0.177 9.316) 9.553 5.563 ( 1.300 0.287 -2.830) 3.128 5.665 ( -4.558 -0.258 0.920) 4.657 5.726 ( -1.340 0.203 -4.630) 4.824 6.823 ( -0.438 0.102 4.038) 4.063 6.893 ( -0.273 0.213 -3.279) 3.297 ======================= Grid point 364 (106/147) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 15.454 -0.000 6.079) 16.607 0.864 ( 9.646 -0.000 1.721) 9.799 1.042 ( 11.899 -0.000 -0.031) 11.899 1.112 ( 2.536 -0.000 -5.742) 6.277 1.439 ( 7.791 -0.000 0.835) 7.835 1.472 ( 7.070 -0.000 -2.007) 7.350 1.710 ( 4.637 -0.000 7.786) 9.062 1.786 ( 7.293 -0.000 -3.665) 8.162 1.872 ( 11.923 -0.000 15.009) 19.169 1.936 ( 1.206 -0.000 5.443) 5.575 2.003 ( -3.433 0.000 -2.896) 4.491 2.118 ( 5.377 -0.000 -4.543) 7.039 2.134 ( -1.310 0.000 2.224) 2.581 2.269 ( 4.230 -0.000 -12.444) 13.143 2.565 ( 8.841 -0.000 3.104) 9.370 2.626 ( 10.224 -0.000 -3.275) 10.736 2.841 ( -2.141 0.000 4.214) 4.726 2.938 ( -2.211 0.000 -6.840) 7.188 3.909 ( 5.438 -0.000 1.793) 5.726 3.941 ( 7.187 -0.000 -1.279) 7.300 4.020 ( 7.892 -0.000 0.936) 7.947 4.085 ( 8.586 -0.000 -6.117) 10.542 4.361 ( -1.996 0.000 0.474) 2.052 4.370 ( -5.033 0.000 -0.650) 5.075 4.681 ( -4.954 0.000 0.669) 4.999 4.694 ( -1.669 0.000 -0.652) 1.792 4.923 ( -1.512 0.000 1.132) 1.889 4.935 ( -0.446 0.000 0.025) 0.447 5.054 ( 1.530 -0.000 0.830) 1.741 5.080 ( 3.429 -0.000 -1.882) 3.912 5.607 ( -0.503 0.000 5.900) 5.921 5.708 ( -1.121 0.000 -4.704) 4.836 6.051 ( -4.398 0.000 7.803) 8.957 6.215 ( -5.809 0.000 -9.102) 10.797 7.020 ( -4.911 0.000 1.938) 5.280 7.022 ( -2.862 0.000 1.466) 3.215 ======================= Grid point 365 (107/147) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 5.102 -0.124 3.279) 6.066 1.065 ( 8.484 0.555 -1.407) 8.618 1.174 ( 8.005 0.763 3.963) 8.965 1.279 ( 12.890 0.337 -5.260) 13.926 1.585 ( 8.224 -1.115 1.770) 8.486 1.624 ( 8.223 -1.613 -1.661) 8.543 1.803 ( 4.886 2.094 4.726) 7.113 1.857 ( -1.774 4.481 0.602) 4.857 1.901 ( 1.141 -2.223 -1.735) 3.042 1.922 ( -3.022 -0.737 -1.632) 3.513 2.123 ( 1.910 -0.359 7.094) 7.356 2.199 ( 2.656 0.079 -1.833) 3.228 2.233 ( 17.853 -1.343 9.466) 20.251 2.457 ( 14.513 -0.252 -10.135) 17.704 2.677 ( 2.042 -0.041 2.203) 3.004 2.713 ( -1.496 0.071 -1.132) 1.877 2.904 ( 8.236 -0.179 0.344) 8.245 2.951 ( 3.838 -0.470 -5.396) 6.638 3.996 ( 2.889 -0.176 3.049) 4.203 4.061 ( 4.804 -0.233 -3.497) 5.946 4.152 ( 5.309 -0.055 2.126) 5.719 4.221 ( 6.137 -0.039 -4.051) 7.353 4.264 ( -5.164 -0.017 0.199) 5.168 4.302 ( -3.421 0.041 -2.621) 4.309 4.614 ( -1.585 0.080 4.208) 4.498 4.683 ( 0.384 0.223 -3.095) 3.126 4.894 ( -1.225 0.080 1.164) 1.692 4.914 ( -1.348 0.043 -0.583) 1.469 5.095 ( 2.394 -0.018 2.534) 3.486 5.146 ( 3.292 0.001 -2.876) 4.371 5.593 ( -0.832 0.447 5.413) 5.494 5.667 ( -2.942 0.923 -1.748) 3.545 5.959 ( -5.237 -0.013 4.873) 7.154 6.086 ( -7.772 -0.368 -7.557) 10.846 6.938 ( -3.633 0.217 3.042) 4.743 6.972 ( -2.238 0.268 -0.602) 2.333 ======================= Grid point 366 (108/147) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.619 -0.089 2.208) 2.295 1.104 ( -0.445 -0.313 -2.293) 2.356 1.405 ( 13.067 3.001 5.093) 14.342 1.505 ( 11.115 2.115 -4.945) 12.347 1.756 ( -0.405 2.974 1.198) 3.231 1.765 ( 7.319 -0.993 1.098) 7.467 1.776 ( -2.491 3.877 0.903) 4.696 1.805 ( 4.582 -1.899 -0.750) 5.016 1.929 ( 3.673 -3.301 2.739) 5.647 1.973 ( 2.789 -1.806 -2.501) 4.158 2.158 ( 1.907 -0.712 5.756) 6.106 2.231 ( 0.927 0.022 -1.092) 1.433 2.549 ( 9.133 -0.406 7.284) 11.689 2.666 ( -1.947 0.007 -2.942) 3.528 2.682 ( 3.407 -0.446 0.795) 3.526 2.747 ( 14.717 -0.337 -6.701) 16.174 3.042 ( 5.043 -0.318 -1.204) 5.194 3.044 ( 4.521 -0.559 -1.543) 4.810 3.986 ( -3.786 -0.166 3.844) 5.398 4.072 ( -4.273 -0.235 -5.275) 6.792 4.207 ( 2.670 -0.022 1.623) 3.124 4.217 ( 0.483 0.020 0.687) 0.840 4.310 ( 3.771 0.148 -0.987) 3.901 4.332 ( 5.715 0.028 -3.600) 6.754 4.612 ( 0.673 0.099 5.375) 5.417 4.698 ( 1.069 0.222 -3.747) 3.903 4.886 ( 0.665 0.222 0.435) 0.825 4.898 ( -0.026 0.115 -0.545) 0.558 5.132 ( 1.331 0.023 3.581) 3.821 5.198 ( 2.080 0.071 -3.430) 4.012 5.573 ( -0.989 0.640 4.015) 4.184 5.594 ( -4.101 0.786 2.630) 4.935 5.860 ( -4.916 0.264 0.677) 4.969 5.933 ( -8.353 -0.490 -5.720) 10.136 6.881 ( -2.417 0.262 3.669) 4.401 6.936 ( -1.509 0.427 -2.099) 2.620 ======================= Grid point 367 (109/147) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.651 -0.299 1.664) 1.812 1.087 ( -1.308 -0.490 -1.504) 2.053 1.566 ( 3.261 3.998 4.401) 6.781 1.646 ( 1.658 2.878 -3.548) 4.860 1.682 ( 0.273 2.687 0.490) 2.745 1.691 ( 0.580 2.795 -0.333) 2.874 1.927 ( 3.770 -0.973 0.848) 3.985 1.938 ( 5.158 -1.928 0.109) 5.507 2.023 ( 6.062 -2.209 3.391) 7.289 2.049 ( 5.273 -2.773 -0.269) 5.964 2.209 ( 3.209 -0.662 4.930) 5.919 2.239 ( 0.160 -0.528 1.943) 2.020 2.512 ( -5.767 0.418 0.602) 5.813 2.625 ( -2.120 0.130 -9.103) 9.347 2.896 ( 11.314 -0.459 4.478) 12.177 2.982 ( 9.115 -0.056 -4.579) 10.201 3.095 ( 1.224 -0.400 0.228) 1.308 3.103 ( 1.300 -0.861 -0.514) 1.642 3.904 ( -4.028 -0.032 3.339) 5.232 3.977 ( -4.644 -0.126 -4.309) 6.336 4.244 ( 1.588 0.141 1.369) 2.101 4.266 ( 2.946 0.212 -0.559) 3.006 4.386 ( 4.185 0.234 1.641) 4.501 4.442 ( 5.939 0.152 -4.023) 7.175 4.613 ( -0.884 -0.016 5.396) 5.468 4.706 ( -0.601 0.046 -4.239) 4.282 4.917 ( 2.568 0.308 0.101) 2.588 4.922 ( 2.711 0.075 -0.485) 2.755 5.143 ( -0.083 0.035 4.597) 4.598 5.224 ( 0.813 0.118 -4.184) 4.264 5.507 ( -4.341 0.513 6.748) 8.040 5.558 ( -0.283 0.391 1.622) 1.693 5.773 ( -4.887 0.417 -2.585) 5.544 5.787 ( -6.278 -0.423 -3.748) 7.324 6.843 ( -1.422 0.215 4.028) 4.277 6.910 ( -0.965 0.402 -2.968) 3.147 ======================= Grid point 368 (110/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.050 -0.298 1.073) 1.115 1.068 ( -0.713 -0.312 -0.733) 1.069 1.517 ( -2.932 2.530 4.551) 5.976 1.593 ( -2.269 1.365 -3.297) 4.229 1.721 ( 1.320 0.917 1.042) 1.916 1.736 ( 1.160 0.367 -0.275) 1.248 1.958 ( 0.362 -0.200 0.677) 0.793 1.973 ( 0.134 -0.693 -0.915) 1.156 2.159 ( 4.254 -0.858 4.047) 5.934 2.186 ( 7.442 -1.648 3.796) 8.515 2.248 ( 1.269 -0.382 3.208) 3.471 2.275 ( 2.284 0.175 5.954) 6.379 2.391 ( -6.161 0.254 -2.589) 6.688 2.590 ( -1.242 0.190 -14.011) 14.067 3.039 ( 3.372 0.368 0.930) 3.517 3.054 ( -0.166 0.183 -0.782) 0.820 3.118 ( 1.104 -1.066 1.528) 2.166 3.145 ( 2.583 -0.190 -0.849) 2.726 3.851 ( -1.458 0.011 3.027) 3.360 3.917 ( -1.584 -0.049 -3.944) 4.250 4.264 ( 0.488 0.103 1.825) 1.892 4.302 ( 0.877 0.189 -2.116) 2.298 4.464 ( 3.575 0.219 3.709) 5.156 4.544 ( 4.238 0.196 -4.816) 6.418 4.577 ( -2.438 -0.145 5.387) 5.915 4.672 ( -2.387 -0.121 -4.549) 5.139 4.970 ( 2.273 0.111 0.054) 2.276 4.973 ( 1.853 0.064 -0.233) 1.868 5.134 ( -0.585 0.010 5.200) 5.233 5.231 ( 0.062 0.065 -5.245) 5.246 5.438 ( -2.294 0.141 9.352) 9.630 5.566 ( 1.124 0.238 -2.858) 3.081 5.663 ( -4.425 -0.204 1.098) 4.564 5.728 ( -1.507 0.171 -4.841) 5.073 6.824 ( -0.537 0.086 4.111) 4.147 6.895 ( -0.474 0.175 -3.312) 3.351 ======================= Grid point 369 (111/147) ======================= q-point: (-0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.545 0.432 1.037) 1.249 1.073 ( 1.326 0.181 -0.553) 1.448 1.479 ( -0.539 -0.992 5.224) 5.345 1.568 ( -0.212 -0.983 -3.944) 4.071 1.690 ( -4.486 -1.903 1.407) 5.072 1.713 ( -3.802 -1.842 -0.759) 4.292 1.963 ( 0.204 0.249 1.187) 1.230 1.986 ( 0.995 0.509 -1.219) 1.654 2.178 ( -1.755 0.892 5.184) 5.545 2.218 ( -6.895 1.125 6.989) 9.882 2.262 ( -0.429 1.072 2.228) 2.509 2.278 ( 0.618 0.577 3.218) 3.327 2.384 ( 5.513 -0.452 -3.154) 6.368 2.586 ( 0.921 -0.220 -14.471) 14.502 3.027 ( -3.231 -0.592 1.830) 3.760 3.055 ( -0.558 0.008 -1.454) 1.557 3.136 ( 0.075 0.728 1.041) 1.272 3.152 ( -1.609 0.508 -0.402) 1.734 3.850 ( 1.436 -0.022 3.053) 3.374 3.918 ( 1.677 0.036 -4.056) 4.390 4.261 ( -0.696 -0.109 1.760) 1.895 4.298 ( -1.241 -0.194 -1.994) 2.356 4.459 ( -3.832 -0.252 3.680) 5.319 4.539 ( -4.451 -0.223 -4.899) 6.623 4.580 ( 2.498 0.157 5.401) 5.953 4.675 ( 2.396 0.120 -4.489) 5.090 4.968 ( -2.501 -0.087 0.096) 2.504 4.971 ( -2.027 -0.097 -0.230) 2.042 5.134 ( 0.554 -0.017 5.130) 5.159 5.229 ( -0.209 -0.079 -5.191) 5.196 5.434 ( 1.898 -0.174 9.278) 9.471 5.560 ( -1.479 -0.269 -2.813) 3.189 5.668 ( 4.704 0.255 0.733) 4.768 5.724 ( 1.147 -0.190 -4.395) 4.546 6.822 ( 0.337 -0.093 3.959) 3.974 6.891 ( 0.057 -0.202 -3.241) 3.248 ======================= Grid point 370 (112/147) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.431 0.600 2.064) 2.192 1.101 ( 1.565 0.888 -1.629) 2.427 1.473 ( -4.233 -4.798 5.746) 8.600 1.579 ( -2.386 -3.392 -5.109) 6.580 1.610 ( -2.954 -3.877 1.254) 5.033 1.632 ( -3.523 -2.981 -1.068) 4.737 1.950 ( -2.015 1.114 1.868) 2.965 1.979 ( -2.479 1.901 -0.806) 3.227 2.061 ( -6.647 1.345 6.749) 9.568 2.114 ( -4.417 3.157 -0.049) 5.429 2.230 ( -2.068 1.362 2.886) 3.803 2.256 ( -1.268 1.146 0.753) 1.868 2.500 ( 5.633 -0.703 0.507) 5.700 2.620 ( 2.277 -0.290 -9.903) 10.166 2.907 ( -9.688 0.618 4.183) 10.571 2.983 ( -8.354 0.052 -3.842) 9.195 3.110 ( -1.309 0.933 0.480) 1.678 3.123 ( -1.608 1.045 -0.758) 2.062 3.905 ( 4.183 0.036 3.401) 5.391 3.980 ( 4.812 0.165 -4.515) 6.600 4.240 ( -1.536 -0.208 1.286) 2.014 4.260 ( -2.757 -0.320 -0.485) 2.818 4.380 ( -4.215 -0.371 1.786) 4.592 4.437 ( -5.831 -0.234 -4.153) 7.163 4.614 ( 0.693 0.052 5.331) 5.376 4.705 ( 0.303 -0.062 -4.146) 4.158 4.911 ( -2.775 -0.299 0.244) 2.802 4.918 ( -2.818 -0.315 -0.571) 2.892 5.142 ( 0.058 -0.040 4.492) 4.493 5.221 ( -0.848 -0.174 -4.086) 4.177 5.493 ( 3.501 -0.790 6.563) 7.481 5.548 ( -0.054 -0.616 1.045) 1.215 5.767 ( 3.921 -0.255 -1.405) 4.173 5.794 ( 7.416 0.301 -3.895) 8.381 6.838 ( 1.240 -0.286 3.625) 3.841 6.900 ( 0.622 -0.618 -2.787) 2.922 ======================= Grid point 371 (113/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -0.877 0.104 2.638) 2.782 1.113 ( -0.285 0.489 -2.530) 2.593 1.326 ( -11.760 -4.118 6.254) 13.942 1.448 ( -9.992 -3.086 -6.184) 12.149 1.648 ( 1.795 -6.690 0.698) 6.962 1.663 ( 1.555 -5.280 -0.760) 5.556 1.829 ( -8.831 3.100 4.672) 10.461 1.873 ( -5.606 3.953 -0.133) 6.861 1.981 ( -2.852 1.554 2.718) 4.235 2.021 ( -3.545 2.870 -1.299) 4.742 2.179 ( -2.309 1.279 3.204) 4.151 2.229 ( -1.633 -0.212 -1.064) 1.960 2.559 ( -4.475 0.429 5.189) 6.866 2.664 ( 1.765 -0.195 -4.429) 4.772 2.699 ( -6.364 1.297 1.746) 6.726 2.760 ( -14.063 0.854 -4.596) 14.820 3.054 ( -5.464 0.813 -0.769) 5.577 3.061 ( -3.820 1.060 -1.980) 4.431 3.992 ( 4.135 0.338 3.964) 5.738 4.080 ( 4.688 0.493 -5.412) 7.177 4.208 ( -2.331 0.045 1.605) 2.830 4.217 ( -0.352 -0.053 0.747) 0.828 4.305 ( -3.699 -0.326 -0.790) 3.797 4.331 ( -5.538 -0.069 -3.730) 6.678 4.609 ( -0.850 -0.166 5.136) 5.209 4.691 ( -1.493 -0.488 -3.546) 3.878 4.879 ( -0.613 -0.412 0.553) 0.923 4.893 ( 0.029 -0.346 -0.693) 0.775 5.132 ( -1.283 -0.038 3.545) 3.770 5.195 ( -2.031 -0.171 -3.326) 3.901 5.551 ( 1.072 -1.422 3.602) 4.018 5.568 ( 2.229 -1.696 2.347) 3.654 5.855 ( 5.274 -0.233 2.552) 5.864 5.947 ( 8.643 0.753 -6.255) 10.695 6.872 ( 2.235 -0.477 3.163) 3.902 6.921 ( 1.292 -0.938 -1.904) 2.485 ======================= Grid point 372 (114/147) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -6.432 -1.246 2.617) 7.055 1.044 ( -9.321 -0.706 0.265) 9.351 1.151 ( -4.816 -0.902 3.919) 6.274 1.268 ( -9.388 -0.211 -6.502) 11.422 1.636 ( -8.444 2.300 4.979) 10.069 1.677 ( -4.860 1.072 0.361) 4.990 1.702 ( -0.832 -6.699 0.199) 6.753 1.764 ( -2.734 -1.930 -4.271) 5.425 1.916 ( -3.293 0.783 4.962) 6.006 1.950 ( -3.088 0.735 -0.062) 3.175 2.133 ( -2.253 0.390 4.145) 4.734 2.194 ( -2.117 -0.340 -1.573) 2.659 2.294 ( -15.257 4.028 7.312) 17.391 2.470 ( -14.548 0.908 -8.533) 16.890 2.678 ( -2.040 0.092 1.749) 2.688 2.709 ( 1.351 -0.332 -1.012) 1.720 2.914 ( -7.883 0.811 1.083) 7.998 2.975 ( -3.344 1.670 -5.805) 6.904 4.005 ( -2.751 0.679 3.261) 4.320 4.073 ( -4.598 0.948 -3.568) 5.896 4.154 ( -5.316 0.198 2.108) 5.723 4.223 ( -5.953 0.112 -3.869) 7.100 4.264 ( 5.096 0.061 0.044) 5.096 4.300 ( 3.436 -0.167 -2.452) 4.225 4.610 ( 1.640 -0.241 3.780) 4.127 4.671 ( -0.573 -0.944 -2.674) 2.893 4.890 ( 1.346 -0.284 1.215) 1.835 4.912 ( 1.478 -0.136 -0.753) 1.664 5.096 ( -2.312 0.056 2.510) 3.413 5.145 ( -3.222 -0.113 -2.745) 4.235 5.570 ( 0.407 -1.727 4.453) 4.793 5.619 ( 1.495 -3.504 -0.367) 3.827 5.961 ( 5.697 0.225 6.216) 8.434 6.103 ( 8.098 1.160 -8.201) 11.583 6.928 ( 3.381 -0.711 2.651) 4.355 6.959 ( 2.167 -1.043 -0.550) 2.467 ======================= Grid point 373 (115/147) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -12.837 0.252 6.192) 14.254 0.873 ( -9.012 0.833 -0.250) 9.054 1.063 ( -8.138 1.679 0.775) 8.345 1.132 ( -2.996 2.054 -4.642) 5.894 1.463 ( -8.273 2.507 2.898) 9.117 1.525 ( -8.256 4.630 -2.658) 9.832 1.680 ( -3.834 -3.692 2.797) 6.013 1.727 ( -5.562 -5.691 -2.777) 8.429 1.822 ( -8.383 -2.767 14.536) 17.007 1.911 ( -0.824 -1.728 2.787) 3.382 2.038 ( -4.564 1.304 1.547) 4.992 2.128 ( -2.328 1.720 -1.012) 3.066 2.154 ( -1.065 1.251 0.135) 1.648 2.266 ( -5.007 -0.220 -12.352) 13.330 2.568 ( -8.730 0.223 2.684) 9.136 2.624 ( -10.117 -0.264 -3.106) 10.587 2.853 ( 2.259 1.087 4.901) 5.505 2.960 ( 2.422 1.989 -7.065) 7.729 3.915 ( -5.542 0.592 1.955) 5.906 3.949 ( -7.366 0.806 -1.240) 7.513 4.021 ( -7.967 0.114 0.886) 8.017 4.086 ( -8.703 0.079 -6.032) 10.589 4.358 ( 1.985 -0.243 0.473) 2.055 4.368 ( 4.860 -0.136 -0.764) 4.922 4.672 ( 3.419 -0.790 1.395) 3.776 4.694 ( 3.481 0.005 -0.922) 3.601 4.920 ( 1.222 -0.185 1.116) 1.665 4.936 ( 0.643 0.007 -0.291) 0.706 5.054 ( -1.821 0.007 1.010) 2.082 5.083 ( -3.012 0.090 -1.846) 3.534 5.584 ( 0.073 -2.188 5.052) 5.507 5.655 ( 0.104 -4.767 -2.088) 5.205 6.058 ( 4.682 0.681 8.368) 9.613 6.232 ( 6.052 1.481 -9.788) 11.603 7.007 ( 4.379 -1.102 1.890) 4.895 7.012 ( 2.980 -0.931 1.261) 3.367 ======================= Grid point 374 (116/147) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -8.378 4.955 8.645) 13.019 0.716 ( -5.596 2.371 -2.649) 6.630 0.869 ( -9.448 4.583 7.386) 12.839 1.068 ( -3.272 2.338 -10.571) 11.310 1.297 ( -7.774 2.330 7.165) 10.826 1.372 ( -4.784 0.607 -1.884) 5.177 1.616 ( -4.557 -2.424 1.006) 5.259 1.623 ( -5.821 -2.302 -0.546) 6.283 1.694 ( -3.845 0.332 19.204) 19.588 1.927 ( 0.655 -3.400 3.435) 4.877 2.016 ( -0.034 -1.991 -3.993) 4.462 2.084 ( 0.112 1.119 -10.513) 10.573 2.183 ( 3.383 -0.063 1.449) 3.681 2.244 ( 0.593 -0.393 -6.796) 6.833 2.398 ( -7.883 0.258 0.991) 7.950 2.428 ( -9.489 -0.210 -1.991) 9.697 2.921 ( 4.858 0.799 4.489) 6.663 3.017 ( 3.919 1.864 -6.320) 7.667 3.808 ( -6.592 0.232 0.589) 6.622 3.814 ( -4.727 0.239 0.344) 4.746 3.882 ( -6.041 -0.079 -0.843) 6.100 3.900 ( -9.844 0.064 -3.652) 10.500 4.381 ( 0.504 -0.079 2.315) 2.371 4.433 ( 1.898 -0.244 -3.313) 3.826 4.742 ( 4.076 -0.726 2.676) 4.930 4.770 ( 3.231 0.331 -0.572) 3.298 4.908 ( -2.715 -0.779 1.480) 3.188 4.943 ( 0.224 0.018 -1.700) 1.715 5.025 ( -1.245 -0.353 1.123) 1.713 5.055 ( 0.122 0.854 -1.621) 1.836 5.594 ( -0.165 -2.613 5.202) 5.823 5.672 ( -0.647 -4.977 -2.605) 5.655 6.124 ( 2.607 0.848 9.058) 9.464 6.311 ( 3.095 1.554 -10.719) 11.264 7.067 ( 2.299 -0.790 3.260) 4.066 7.102 ( 4.385 -1.775 -0.093) 4.731 ======================= Grid point 375 (117/147) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -0.000 6.860 10.874) 12.857 0.662 ( -0.000 2.721 -9.586) 9.965 0.731 ( -0.000 3.261 16.738) 17.053 1.016 ( -0.000 2.012 -13.629) 13.776 1.204 ( -0.000 1.735 12.215) 12.338 1.333 ( 0.000 -0.508 -3.979) 4.011 1.561 ( 0.000 -1.069 1.462) 1.811 1.581 ( 0.000 -1.387 -0.748) 1.575 1.663 ( -0.000 0.537 19.465) 19.472 1.953 ( 0.000 -3.086 3.857) 4.939 2.025 ( 0.000 -0.822 -7.524) 7.568 2.095 ( -0.000 0.000 -13.711) 13.711 2.255 ( 0.000 -0.314 2.313) 2.334 2.256 ( 0.000 -0.584 2.193) 2.269 2.300 ( 0.000 -0.078 -2.433) 2.435 2.313 ( -0.000 0.275 -3.964) 3.974 2.985 ( 0.000 -0.034 2.069) 2.070 3.055 ( -0.000 1.562 -5.713) 5.923 3.735 ( -0.000 0.059 0.208) 0.216 3.739 ( -0.000 0.069 -0.144) 0.159 3.799 ( -0.000 0.060 1.504) 1.505 3.826 ( -0.000 0.059 -1.305) 1.306 4.385 ( -0.000 0.020 2.762) 2.763 4.450 ( 0.000 -0.150 -4.272) 4.274 4.798 ( -0.000 0.032 0.749) 0.750 4.813 ( -0.000 0.042 -0.833) 0.834 4.857 ( 0.000 -1.236 5.411) 5.550 4.945 ( 0.000 -0.137 -3.691) 3.693 5.016 ( 0.000 -0.195 1.866) 1.876 5.054 ( -0.000 0.839 -1.813) 1.998 5.605 ( 0.000 -2.178 5.106) 5.551 5.686 ( 0.000 -4.081 -3.154) 5.158 6.146 ( -0.000 0.675 9.029) 9.054 6.333 ( -0.000 1.282 -10.802) 10.878 7.095 ( 0.000 -0.615 4.449) 4.491 7.161 ( 0.000 -1.953 -2.553) 3.214 ======================= Grid point 378 (118/147) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.628 -0.000 2.132) 2.222 1.102 ( -0.529 0.000 -2.251) 2.312 1.421 ( 13.163 -0.000 4.881) 14.039 1.516 ( 11.243 -0.000 -4.616) 12.153 1.752 ( 9.461 -0.000 2.583) 9.807 1.775 ( 6.772 -0.000 -0.468) 6.788 1.787 ( -4.777 0.000 1.048) 4.891 1.812 ( -4.315 0.000 -1.308) 4.509 1.908 ( 4.966 -0.000 3.211) 5.914 1.963 ( 3.037 -0.000 -3.114) 4.350 2.154 ( 1.903 -0.000 6.273) 6.555 2.231 ( 0.830 -0.000 -1.076) 1.358 2.547 ( 9.878 -0.000 7.608) 12.468 2.666 ( -1.941 0.000 -2.708) 3.332 2.680 ( 2.936 -0.000 0.661) 3.009 2.746 ( 14.775 -0.000 -7.044) 16.368 3.041 ( 4.344 -0.000 -1.780) 4.694 3.041 ( 5.269 -0.000 -0.968) 5.358 3.985 ( -3.733 0.000 3.826) 5.345 4.071 ( -4.213 0.000 -5.256) 6.736 4.207 ( 2.721 -0.000 1.624) 3.169 4.217 ( 0.502 -0.000 0.678) 0.843 4.311 ( 3.781 -0.000 -1.016) 3.915 4.332 ( 5.742 -0.000 -3.581) 6.767 4.612 ( 0.645 -0.000 5.407) 5.446 4.699 ( 1.009 -0.000 -3.773) 3.905 4.887 ( 0.685 -0.000 0.404) 0.795 4.898 ( -0.041 0.000 -0.509) 0.511 5.132 ( 1.339 -0.000 3.586) 3.827 5.198 ( 2.091 -0.000 -3.444) 4.029 5.576 ( -0.986 0.000 4.094) 4.211 5.598 ( -4.375 0.000 2.688) 5.135 5.862 ( -4.851 0.000 0.317) 4.862 5.931 ( -8.318 0.000 -5.595) 10.024 6.882 ( -2.448 0.000 3.738) 4.469 6.938 ( -1.541 0.000 -2.121) 2.622 ======================= Grid point 379 (119/147) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.721 -0.100 1.568) 1.728 1.084 ( -1.230 -0.170 -1.464) 1.920 1.595 ( 3.154 1.586 4.009) 5.341 1.666 ( 1.950 1.126 -3.055) 3.795 1.700 ( -0.924 0.952 0.671) 1.486 1.712 ( -1.332 1.215 -0.522) 1.877 1.920 ( 5.281 -0.502 0.604) 5.339 1.924 ( 5.308 -0.666 0.006) 5.349 2.005 ( 6.610 -1.141 3.037) 7.363 2.030 ( 5.183 -1.001 -0.549) 5.307 2.205 ( 3.591 -0.211 5.527) 6.594 2.236 ( -0.034 -0.175 2.172) 2.179 2.515 ( -5.818 0.148 0.621) 5.853 2.625 ( -2.066 0.041 -8.895) 9.132 2.893 ( 11.714 -0.172 4.551) 12.568 2.981 ( 9.316 -0.021 -4.784) 10.473 3.094 ( 1.321 0.039 -0.045) 1.322 3.097 ( 1.089 -0.488 -0.234) 1.216 3.904 ( -3.987 -0.012 3.321) 5.189 3.976 ( -4.601 -0.047 -4.255) 6.267 4.245 ( 1.603 0.051 1.389) 2.121 4.267 ( 3.000 0.076 -0.576) 3.055 4.388 ( 4.178 0.083 1.604) 4.476 4.443 ( 5.967 0.054 -3.993) 7.180 4.613 ( -0.937 -0.004 5.411) 5.492 4.706 ( -0.680 0.017 -4.259) 4.313 4.919 ( 2.412 0.161 -0.002) 2.417 4.922 ( 2.793 -0.025 -0.397) 2.822 5.143 ( -0.091 0.013 4.623) 4.624 5.225 ( 0.804 0.043 -4.207) 4.283 5.510 ( -4.565 0.184 6.803) 8.195 5.561 ( -0.351 0.139 1.777) 1.816 5.778 ( -5.940 0.429 -3.072) 6.701 5.782 ( -5.186 -0.429 -3.541) 6.294 6.845 ( -1.476 0.079 4.124) 4.381 6.913 ( -1.051 0.144 -3.007) 3.189 ======================= Grid point 380 (120/147) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.278 -0.147 1.014) 1.062 1.065 ( -0.633 -0.204 -0.730) 0.987 1.539 ( -4.013 1.943 4.119) 6.070 1.604 ( -3.189 0.810 -2.436) 4.094 1.727 ( -0.034 0.477 0.483) 0.679 1.736 ( 0.038 -0.316 -0.225) 0.390 1.957 ( 0.471 -0.067 0.424) 0.637 1.967 ( 0.751 -0.495 -0.686) 1.131 2.153 ( 5.078 -0.446 3.578) 6.228 2.173 ( 8.436 -0.949 3.840) 9.317 2.245 ( 1.490 -0.170 3.315) 3.638 2.277 ( 2.963 0.164 6.112) 6.794 2.393 ( -6.363 0.130 -2.361) 6.788 2.592 ( -1.329 0.106 -13.845) 13.909 3.040 ( 2.714 -0.040 0.638) 2.788 3.058 ( 0.131 0.494 -1.281) 1.380 3.109 ( 1.669 -0.823 2.424) 3.056 3.144 ( 2.898 -0.056 -1.043) 3.081 3.851 ( -1.466 0.004 3.016) 3.354 3.917 ( -1.550 -0.031 -3.903) 4.200 4.264 ( 0.417 0.060 1.850) 1.897 4.304 ( 0.755 0.110 -2.159) 2.290 4.466 ( 3.489 0.123 3.718) 5.101 4.545 ( 4.170 0.111 -4.803) 6.362 4.576 ( -2.428 -0.084 5.393) 5.915 4.671 ( -2.386 -0.072 -4.567) 5.153 4.971 ( 2.188 0.076 0.018) 2.189 4.973 ( 1.810 0.026 -0.214) 1.823 5.134 ( -0.600 0.005 5.227) 5.262 5.231 ( 0.009 0.036 -5.262) 5.262 5.439 ( -2.427 0.077 9.377) 9.686 5.568 ( 0.994 0.134 -2.885) 3.055 5.661 ( -4.331 -0.112 1.227) 4.503 5.730 ( -1.619 0.098 -4.987) 5.244 6.825 ( -0.610 0.050 4.162) 4.207 6.897 ( -0.616 0.099 -3.335) 3.393 ======================= Grid point 381 (121/147) ======================= q-point: (-0.62 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.705 0.346 0.913) 1.205 1.074 ( 1.819 0.046 -0.377) 1.858 1.474 ( -2.268 -0.064 5.318) 5.782 1.560 ( -1.352 -0.681 -3.347) 3.673 1.674 ( -5.252 -1.239 0.827) 5.459 1.694 ( -4.710 -1.977 -1.001) 5.205 1.965 ( 0.461 0.184 1.353) 1.441 1.990 ( 1.373 0.307 -1.264) 1.891 2.185 ( -0.803 0.526 5.523) 5.606 2.225 ( -7.303 0.392 9.582) 12.054 2.273 ( 0.295 1.144 1.305) 1.760 2.284 ( 1.769 0.714 1.551) 2.459 2.380 ( 5.184 -0.431 -3.386) 6.207 2.584 ( 0.750 -0.156 -14.661) 14.681 3.022 ( -3.138 -0.374 1.982) 3.730 3.055 ( -0.825 -0.092 -1.795) 1.978 3.142 ( 0.649 0.505 1.122) 1.391 3.157 ( -1.311 0.378 -0.249) 1.387 3.850 ( 1.427 -0.019 3.062) 3.378 3.918 ( 1.716 0.019 -4.102) 4.447 4.260 ( -0.786 -0.075 1.736) 1.907 4.297 ( -1.399 -0.131 -1.945) 2.399 4.457 ( -3.945 -0.180 3.667) 5.389 4.538 ( -4.544 -0.159 -4.945) 6.718 4.582 ( 2.533 0.110 5.411) 5.975 4.676 ( 2.403 0.080 -4.460) 5.067 4.967 ( -2.588 -0.053 0.096) 2.591 4.970 ( -2.127 -0.074 -0.213) 2.139 5.134 ( 0.546 -0.014 5.103) 5.132 5.228 ( -0.269 -0.057 -5.166) 5.173 5.433 ( 1.725 -0.128 9.245) 9.405 5.558 ( -1.621 -0.190 -2.806) 3.247 5.670 ( 4.836 0.189 0.578) 4.874 5.723 ( 0.970 -0.135 -4.193) 4.306 6.822 ( 0.257 -0.065 3.891) 3.900 6.890 ( -0.124 -0.144 -3.209) 3.215 ======================= Grid point 382 (122/147) ======================= q-point: (-0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.361 0.575 2.292) 2.390 1.110 ( 1.690 0.833 -1.684) 2.527 1.431 ( -5.061 -3.727 6.395) 8.966 1.550 ( -2.806 -2.634 -5.669) 6.851 1.576 ( -4.292 -2.990 1.491) 5.439 1.605 ( -3.657 -2.411 -1.450) 4.614 1.959 ( -1.522 0.823 2.200) 2.799 1.995 ( -1.348 1.374 -1.356) 2.354 2.071 ( -7.203 0.701 8.568) 11.215 2.140 ( -3.605 2.230 -0.049) 4.239 2.243 ( -2.020 1.327 2.168) 3.247 2.267 ( -1.968 1.069 0.092) 2.242 2.494 ( 5.625 -0.633 0.446) 5.678 2.617 ( 2.328 -0.281 -10.316) 10.580 2.913 ( -8.835 0.498 4.013) 9.717 2.983 ( -7.953 0.026 -3.488) 8.685 3.118 ( -1.408 0.843 0.477) 1.709 3.132 ( -1.682 0.827 -0.737) 2.014 3.905 ( 4.260 0.025 3.430) 5.469 3.981 ( 4.898 0.126 -4.617) 6.732 4.238 ( -1.511 -0.171 1.241) 1.963 4.257 ( -2.672 -0.266 -0.443) 2.722 4.377 ( -4.230 -0.315 1.862) 4.633 4.435 ( -5.776 -0.197 -4.227) 7.160 4.615 ( 0.605 0.055 5.292) 5.327 4.704 ( 0.156 -0.048 -4.089) 4.092 4.908 ( -2.819 -0.192 0.219) 2.834 4.915 ( -2.953 -0.336 -0.521) 3.018 5.142 ( 0.049 -0.028 4.439) 4.439 5.219 ( -0.866 -0.143 -4.030) 4.125 5.486 ( 3.081 -0.665 6.486) 7.212 5.542 ( -0.260 -0.521 0.766) 0.962 5.765 ( 3.688 -0.161 -0.913) 3.802 5.796 ( 7.746 0.214 -3.892) 8.672 6.836 ( 1.164 -0.220 3.397) 3.597 6.894 ( 0.436 -0.521 -2.676) 2.761 ======================= Grid point 383 (123/147) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -1.442 -0.060 2.871) 3.214 1.117 ( -0.957 0.338 -2.676) 2.862 1.291 ( -10.190 -2.965 6.820) 12.615 1.421 ( -8.949 -2.470 -6.378) 11.264 1.587 ( 0.629 -5.578 1.047) 5.710 1.614 ( 0.741 -4.628 -1.467) 4.911 1.855 ( -8.213 2.130 5.853) 10.308 1.910 ( -4.927 3.601 0.225) 6.107 1.991 ( -2.641 0.518 2.819) 3.897 2.049 ( -4.431 2.772 -1.722) 5.503 2.191 ( -2.734 1.126 2.161) 3.663 2.226 ( -2.142 -0.413 -0.839) 2.338 2.562 ( -2.087 0.206 4.066) 4.575 2.662 ( 1.625 -0.262 -5.201) 5.455 2.713 ( -7.841 1.382 2.224) 8.267 2.768 ( -13.555 0.845 -3.493) 14.023 3.062 ( -5.581 0.778 -0.603) 5.667 3.072 ( -3.570 0.984 -2.152) 4.283 3.995 ( 4.351 0.308 4.038) 5.944 4.085 ( 4.961 0.460 -5.507) 7.426 4.209 ( -2.126 0.040 1.588) 2.654 4.216 ( -0.264 -0.057 0.783) 0.828 4.302 ( -3.650 -0.314 -0.667) 3.724 4.330 ( -5.435 -0.070 -3.810) 6.638 4.607 ( -0.947 -0.125 4.970) 5.061 4.686 ( -1.786 -0.470 -3.389) 3.860 4.875 ( -0.625 -0.354 0.559) 0.910 4.890 ( 0.095 -0.384 -0.720) 0.822 5.131 ( -1.256 -0.028 3.515) 3.733 5.193 ( -2.026 -0.176 -3.249) 3.833 5.537 ( 1.173 -1.473 3.532) 4.003 5.552 ( 1.043 -1.491 2.143) 2.811 5.853 ( 5.467 -0.117 3.415) 6.447 5.954 ( 8.826 0.618 -6.449) 10.948 6.868 ( 2.155 -0.390 2.798) 3.553 6.912 ( 1.152 -0.910 -1.734) 2.272 ======================= Grid point 384 (124/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -7.859 -1.973 3.079) 8.668 1.041 ( -7.672 -0.200 -1.263) 7.778 1.147 ( -3.848 0.357 5.100) 6.399 1.270 ( -7.091 0.577 -6.383) 9.558 1.611 ( -2.825 -6.661 2.898) 7.795 1.644 ( -0.770 -5.690 -0.832) 5.802 1.691 ( -6.514 2.724 4.628) 8.442 1.779 ( -6.702 3.776 -4.191) 8.760 1.926 ( -4.541 1.240 4.006) 6.181 1.952 ( -4.480 -0.125 0.366) 4.496 2.136 ( -2.876 0.098 3.481) 4.516 2.191 ( -1.688 -0.404 -1.330) 2.186 2.333 ( -14.382 3.712 6.024) 16.029 2.479 ( -14.522 0.917 -7.372) 16.312 2.679 ( -2.080 0.059 1.397) 2.506 2.705 ( 1.156 -0.425 -0.917) 1.535 2.922 ( -7.626 0.904 1.580) 7.840 2.991 ( -2.975 1.681 -6.044) 6.943 4.012 ( -2.638 0.718 3.435) 4.390 4.083 ( -4.411 1.053 -3.645) 5.818 4.156 ( -5.326 0.196 2.061) 5.714 4.224 ( -5.848 0.073 -3.733) 6.938 4.265 ( 5.025 0.059 -0.067) 5.026 4.298 ( 3.451 -0.183 -2.323) 4.164 4.608 ( 1.717 -0.165 3.382) 3.796 4.661 ( -0.751 -1.095 -2.247) 2.610 4.887 ( 1.465 -0.276 1.263) 1.954 4.911 ( 1.622 -0.123 -0.869) 1.844 5.097 ( -2.265 0.053 2.436) 3.327 5.144 ( -3.251 -0.217 -2.616) 4.179 5.552 ( 0.029 -1.907 3.817) 4.267 5.584 ( 0.600 -3.541 0.713) 3.661 5.963 ( 5.984 0.303 6.936) 9.166 6.114 ( 8.314 1.089 -8.532) 11.963 6.921 ( 3.239 -0.630 2.283) 4.013 6.948 ( 2.137 -1.123 -0.439) 2.454 ======================= Grid point 385 (125/147) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -10.029 1.421 5.416) 11.486 0.882 ( -8.271 1.068 -1.692) 8.510 1.081 ( -5.041 2.039 2.409) 5.948 1.157 ( -3.300 3.071 -3.864) 5.937 1.487 ( -8.642 1.801 4.785) 10.041 1.574 ( -8.402 5.327 -2.877) 10.356 1.634 ( -3.000 -5.319 0.172) 6.109 1.665 ( -5.123 -6.551 -2.272) 8.621 1.804 ( -7.361 -0.856 12.912) 14.887 1.893 ( -2.437 -2.093 1.581) 3.580 2.044 ( -6.324 0.041 3.961) 7.462 2.149 ( -2.811 2.393 -0.517) 3.728 2.165 ( -0.985 0.970 0.268) 1.408 2.264 ( -5.912 -0.112 -12.174) 13.534 2.570 ( -8.654 0.176 2.271) 8.949 2.620 ( -10.008 -0.427 -2.945) 10.441 2.865 ( 2.345 1.301 5.551) 6.164 2.981 ( 2.604 2.262 -7.254) 8.033 3.922 ( -5.643 0.726 2.134) 6.077 3.958 ( -7.572 1.017 -1.175) 7.729 4.022 ( -8.024 0.144 0.726) 8.058 4.086 ( -8.881 -0.068 -5.882) 10.652 4.356 ( 1.996 -0.261 0.458) 2.064 4.367 ( 4.706 -0.172 -0.869) 4.789 4.664 ( 2.814 -0.897 2.086) 3.616 4.694 ( 4.374 -0.026 -1.106) 4.512 4.919 ( 1.177 -0.044 1.073) 1.593 4.936 ( 0.668 0.024 -0.471) 0.818 5.054 ( -2.010 -0.003 0.995) 2.243 5.082 ( -2.824 -0.215 -1.758) 3.333 5.559 ( -0.639 -3.062 4.593) 5.557 5.607 ( -0.298 -4.747 -0.104) 4.758 6.066 ( 4.920 0.798 8.807) 10.119 6.247 ( 6.220 1.531 -10.244) 12.082 6.996 ( 4.137 -1.079 1.770) 4.627 7.002 ( 2.971 -1.053 1.098) 3.338 ======================= Grid point 386 (126/147) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -5.029 7.121 6.633) 10.954 0.745 ( -4.365 3.310 -2.529) 6.034 0.922 ( -8.541 6.086 7.122) 12.678 1.096 ( -2.517 3.451 -8.915) 9.886 1.324 ( -6.997 2.969 5.907) 9.626 1.382 ( -6.944 1.636 -0.264) 7.139 1.585 ( -4.091 -3.724 0.248) 5.538 1.593 ( -4.896 -3.578 -0.588) 6.093 1.697 ( -3.228 0.351 18.393) 18.678 1.887 ( -0.218 -4.636 1.647) 4.925 1.991 ( -0.604 -2.979 -1.931) 3.602 2.098 ( -0.509 1.677 -10.109) 10.259 2.183 ( 2.862 0.044 1.314) 3.150 2.239 ( 0.674 -0.605 -6.718) 6.779 2.400 ( -7.961 0.178 0.564) 7.983 2.425 ( -9.553 -0.345 -1.885) 9.744 2.931 ( 4.568 1.156 5.332) 7.116 3.038 ( 3.959 2.374 -6.500) 7.972 3.811 ( -6.784 0.316 0.638) 6.821 3.817 ( -4.989 0.342 0.388) 5.016 3.881 ( -6.414 -0.079 -0.847) 6.470 3.900 ( -9.382 -0.022 -3.419) 9.985 4.380 ( 0.636 -0.046 2.155) 2.248 4.430 ( 1.931 -0.277 -3.335) 3.864 4.734 ( 4.200 -0.916 3.826) 5.755 4.773 ( 3.094 0.316 -0.769) 3.204 4.901 ( -3.064 -0.744 1.482) 3.484 4.943 ( -0.055 -0.151 -2.499) 2.504 5.022 ( -1.012 -0.175 1.950) 2.204 5.061 ( 0.252 0.533 -1.920) 2.008 5.559 ( -1.057 -4.574 5.699) 7.384 5.622 ( -0.430 -4.732 -0.500) 4.778 6.134 ( 2.715 1.113 9.336) 9.786 6.328 ( 3.175 1.771 -11.277) 11.849 7.059 ( 2.310 -0.913 2.729) 3.690 7.084 ( 3.850 -1.948 0.458) 4.339 ======================= Grid point 387 (127/147) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -0.000 10.403 7.365) 12.746 0.698 ( -0.000 4.589 -7.786) 9.038 0.776 ( -0.000 5.815 15.552) 16.604 1.044 ( -0.000 3.732 -12.915) 13.443 1.229 ( -0.000 3.373 10.800) 11.315 1.327 ( 0.000 -0.655 -1.979) 2.085 1.545 ( 0.000 -2.096 1.147) 2.390 1.561 ( 0.000 -2.668 -0.572) 2.729 1.669 ( -0.000 0.735 18.909) 18.923 1.912 ( 0.000 -5.052 1.926) 5.407 2.007 ( 0.000 -2.841 -4.205) 5.075 2.099 ( -0.000 0.933 -15.697) 15.724 2.249 ( 0.000 -0.798 2.498) 2.623 2.250 ( 0.000 -0.549 2.491) 2.551 2.299 ( 0.000 -0.146 -2.589) 2.593 2.315 ( -0.000 0.120 -4.244) 4.246 2.986 ( -0.000 0.338 3.371) 3.388 3.074 ( -0.000 2.231 -6.132) 6.525 3.736 ( -0.000 0.104 0.207) 0.232 3.739 ( -0.000 0.122 -0.159) 0.201 3.800 ( -0.000 0.106 1.495) 1.499 3.827 ( -0.000 0.104 -1.314) 1.318 4.385 ( -0.000 0.087 2.621) 2.623 4.448 ( 0.000 -0.188 -4.244) 4.248 4.798 ( -0.000 0.057 0.751) 0.753 4.814 ( -0.000 0.074 -0.845) 0.848 4.841 ( 0.000 -2.002 6.450) 6.754 4.942 ( 0.000 -0.431 -4.434) 4.455 5.016 ( -0.000 0.121 2.731) 2.734 5.063 ( -0.000 0.845 -2.143) 2.303 5.571 ( 0.000 -4.719 5.873) 7.534 5.640 ( 0.000 -4.768 -0.886) 4.850 6.155 ( -0.000 1.120 9.265) 9.333 6.349 ( -0.000 1.812 -11.451) 11.593 7.087 ( 0.000 -0.899 3.834) 3.938 7.138 ( 0.000 -2.671 -1.295) 2.968 ======================= Grid point 392 (128/147) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.366 -0.000 0.983) 1.049 1.064 ( -0.623 0.000 -0.719) 0.951 1.550 ( -4.391 0.000 3.912) 5.881 1.608 ( -3.562 0.000 -1.965) 4.068 1.732 ( -0.513 0.000 0.068) 0.518 1.732 ( -0.406 0.000 -0.122) 0.424 1.957 ( 0.423 -0.000 0.301) 0.519 1.965 ( 1.089 -0.000 -0.562) 1.226 2.151 ( 5.325 -0.000 3.383) 6.309 2.169 ( 8.911 -0.000 3.963) 9.753 2.245 ( 1.584 -0.000 3.350) 3.705 2.278 ( 3.169 -0.000 6.096) 6.871 2.394 ( -6.434 0.000 -2.273) 6.824 2.592 ( -1.357 0.000 -13.783) 13.850 3.040 ( 2.418 -0.000 0.613) 2.494 3.061 ( 0.202 -0.000 -1.876) 1.887 3.104 ( 1.973 -0.000 3.077) 3.656 3.143 ( 3.004 -0.000 -1.113) 3.203 3.851 ( -1.469 0.000 3.012) 3.351 3.916 ( -1.538 0.000 -3.888) 4.182 4.265 ( 0.392 -0.000 1.859) 1.900 4.304 ( 0.711 -0.000 -2.175) 2.288 4.466 ( 3.459 -0.000 3.721) 5.080 4.546 ( 4.147 -0.000 -4.803) 6.345 4.576 ( -2.427 0.000 5.399) 5.919 4.671 ( -2.386 0.000 -4.573) 5.158 4.971 ( 2.157 -0.000 -0.000) 2.157 4.973 ( 1.796 -0.000 -0.203) 1.807 5.134 ( -0.606 0.000 5.237) 5.272 5.231 ( -0.010 0.000 -5.268) 5.268 5.439 ( -2.475 0.000 9.386) 9.706 5.568 ( 0.946 -0.000 -2.897) 3.047 5.661 ( -4.297 0.000 1.274) 4.482 5.730 ( -1.659 0.000 -5.039) 5.305 6.825 ( -0.637 0.000 4.180) 4.229 6.897 ( -0.667 0.000 -3.343) 3.409 ======================= Grid point 393 (129/147) ======================= q-point: (-0.69 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.673 0.142 0.794) 1.050 1.074 ( 2.252 -0.012 -0.231) 2.264 1.475 ( -3.386 0.162 5.311) 6.301 1.555 ( -2.031 -0.316 -2.540) 3.267 1.669 ( -5.405 0.171 -0.173) 5.411 1.677 ( -5.220 -1.424 -0.889) 5.483 1.967 ( 0.605 0.069 1.434) 1.558 1.992 ( 1.577 0.101 -1.271) 2.028 2.189 ( -0.307 0.164 5.656) 5.667 2.227 ( -7.455 0.076 10.811) 13.132 2.281 ( 0.718 0.496 0.980) 1.312 2.290 ( 2.268 0.312 0.745) 2.408 2.377 ( 4.970 -0.193 -3.538) 6.104 2.583 ( 0.644 -0.056 -14.767) 14.781 3.020 ( -3.090 -0.125 2.017) 3.692 3.054 ( -0.947 -0.055 -1.960) 2.177 3.146 ( 1.036 0.191 1.166) 1.571 3.159 ( -1.221 0.131 -0.148) 1.237 3.850 ( 1.421 -0.008 3.066) 3.380 3.918 ( 1.737 0.006 -4.128) 4.478 4.260 ( -0.837 -0.026 1.723) 1.916 4.296 ( -1.489 -0.046 -1.917) 2.428 4.456 ( -4.009 -0.065 3.658) 5.428 4.536 ( -4.595 -0.058 -4.973) 6.771 4.582 ( 2.553 0.040 5.416) 5.988 4.676 ( 2.407 0.028 -4.443) 5.053 4.967 ( -2.634 -0.017 0.092) 2.636 4.970 ( -2.190 -0.028 -0.200) 2.200 5.134 ( 0.544 -0.005 5.089) 5.118 5.228 ( -0.302 -0.021 -5.151) 5.160 5.432 ( 1.626 -0.047 9.226) 9.369 5.557 ( -1.700 -0.068 -2.806) 3.282 5.671 ( 4.917 0.070 0.489) 4.942 5.722 ( 0.861 -0.049 -4.074) 4.165 6.821 ( 0.213 -0.023 3.853) 3.859 6.889 ( -0.227 -0.052 -3.190) 3.199 ======================= Grid point 394 (130/147) ======================= q-point: (-0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.338 0.359 2.467) 2.515 1.117 ( 1.793 0.522 -1.728) 2.544 1.402 ( -5.795 -2.040 6.858) 9.207 1.529 ( -2.877 -1.461 -5.721) 6.568 1.553 ( -5.476 -1.591 1.262) 5.841 1.587 ( -3.424 -1.359 -1.660) 4.041 1.965 ( -1.266 0.433 2.397) 2.745 2.005 ( -0.575 0.722 -1.821) 2.042 2.075 ( -7.583 0.268 9.801) 12.395 2.157 ( -2.866 1.105 -0.028) 3.072 2.255 ( -2.344 0.898 1.671) 3.015 2.276 ( -2.440 0.593 -0.227) 2.521 2.489 ( 5.660 -0.384 0.394) 5.687 2.615 ( 2.354 -0.175 -10.614) 10.873 2.917 ( -8.232 0.279 3.882) 9.106 2.984 ( -7.659 0.007 -3.243) 8.317 3.125 ( -1.500 0.500 0.438) 1.641 3.139 ( -1.699 0.453 -0.682) 1.886 3.905 ( 4.314 0.012 3.448) 5.523 3.982 ( 4.959 0.067 -4.689) 6.825 4.237 ( -1.494 -0.096 1.208) 1.924 4.255 ( -2.617 -0.151 -0.412) 2.653 4.374 ( -4.242 -0.181 1.917) 4.658 4.434 ( -5.737 -0.112 -4.281) 7.159 4.615 ( 0.548 0.036 5.264) 5.292 4.704 ( 0.055 -0.025 -4.044) 4.045 4.907 ( -2.786 -0.064 0.152) 2.791 4.912 ( -3.121 -0.243 -0.436) 3.160 5.142 ( 0.045 -0.013 4.401) 4.401 5.218 ( -0.880 -0.081 -3.988) 4.084 5.481 ( 2.785 -0.380 6.439) 7.026 5.538 ( -0.415 -0.297 0.574) 0.768 5.763 ( 3.568 -0.076 -0.590) 3.617 5.798 ( 7.938 0.112 -3.880) 8.836 6.834 ( 1.120 -0.116 3.225) 3.416 6.890 ( 0.300 -0.299 -2.587) 2.621 ======================= Grid point 395 (131/147) ======================= q-point: (-0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -2.255 -0.205 3.095) 3.835 1.119 ( -1.695 0.157 -2.826) 3.299 1.269 ( -8.210 -1.519 7.167) 11.004 1.401 ( -7.887 -1.637 -6.030) 10.062 1.542 ( -0.423 -3.599 0.928) 3.741 1.575 ( -0.078 -3.255 -1.947) 3.794 1.871 ( -7.787 1.156 6.821) 10.416 1.942 ( -4.245 2.890 0.242) 5.141 1.991 ( -2.675 -0.349 3.149) 4.147 2.073 ( -4.948 2.119 -2.521) 5.943 2.201 ( -3.092 0.875 1.427) 3.516 2.221 ( -2.655 -0.597 -0.377) 2.748 2.564 ( -0.448 0.057 3.271) 3.302 2.659 ( 1.531 -0.224 -5.736) 5.941 2.725 ( -8.782 1.054 2.496) 9.191 2.775 ( -13.131 0.612 -2.689) 13.417 3.069 ( -5.656 0.556 -0.485) 5.704 3.080 ( -3.410 0.692 -2.276) 4.157 3.997 ( 4.529 0.212 4.098) 6.112 4.089 ( 5.197 0.324 -5.592) 7.641 4.209 ( -1.963 0.028 1.570) 2.514 4.216 ( -0.183 -0.046 0.812) 0.833 4.299 ( -3.608 -0.226 -0.565) 3.659 4.329 ( -5.353 -0.053 -3.876) 6.609 4.606 ( -1.013 -0.067 4.819) 4.924 4.682 ( -2.053 -0.342 -3.236) 3.847 4.872 ( -0.665 -0.226 0.522) 0.875 4.886 ( 0.190 -0.314 -0.702) 0.792 5.131 ( -1.236 -0.015 3.485) 3.697 5.192 ( -2.037 -0.134 -3.176) 3.776 5.524 ( 1.086 -1.149 3.613) 3.944 5.540 ( 0.249 -0.964 1.905) 2.150 5.852 ( 5.615 -0.041 4.013) 6.902 5.959 ( 8.972 0.399 -6.567) 11.126 6.865 ( 2.115 -0.233 2.454) 3.248 6.904 ( 1.023 -0.671 -1.552) 1.976 ======================= Grid point 396 (132/147) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -7.585 -1.453 3.335) 8.412 1.037 ( -7.004 -0.502 -2.940) 7.612 1.158 ( -2.898 1.783 6.195) 7.067 1.278 ( -5.215 0.851 -5.552) 7.665 1.544 ( -2.467 -6.480 2.201) 7.274 1.589 ( -0.970 -5.324 -2.125) 5.814 1.716 ( -7.079 2.189 7.611) 10.622 1.819 ( -6.976 4.167 -3.704) 8.930 1.935 ( -3.762 0.075 1.962) 4.243 1.952 ( -6.901 0.554 0.563) 6.946 2.135 ( -3.498 -0.164 3.350) 4.846 2.187 ( -1.256 -0.363 -1.066) 1.686 2.365 ( -13.951 2.805 5.036) 15.095 2.487 ( -14.454 0.731 -6.319) 15.792 2.679 ( -2.124 0.048 1.035) 2.364 2.701 ( 0.892 -0.448 -0.804) 1.281 2.931 ( -7.390 0.768 2.003) 7.695 3.006 ( -2.645 1.335 -6.227) 6.896 4.019 ( -2.522 0.596 3.611) 4.445 4.093 ( -4.202 0.922 -3.733) 5.696 4.158 ( -5.336 0.151 1.971) 5.690 4.224 ( -5.801 0.012 -3.610) 6.832 4.266 ( 4.947 0.044 -0.160) 4.950 4.297 ( 3.470 -0.156 -2.200) 4.112 4.607 ( 1.867 -0.017 2.913) 3.459 4.650 ( -0.993 -1.033 -1.714) 2.234 4.885 ( 1.596 -0.210 1.313) 2.077 4.909 ( 1.794 -0.089 -0.964) 2.038 5.097 ( -2.229 0.044 2.316) 3.215 5.141 ( -3.350 -0.264 -2.467) 4.169 5.533 ( -0.545 -1.906 3.494) 4.017 5.554 ( 0.095 -2.525 1.494) 2.935 5.966 ( 6.216 0.278 7.472) 9.723 6.123 ( 8.498 0.821 -8.768) 12.238 6.916 ( 3.149 -0.395 1.857) 3.676 6.937 ( 2.120 -0.979 -0.249) 2.348 ======================= Grid point 397 (133/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -7.024 2.179 3.953) 8.350 0.893 ( -7.302 1.029 -2.750) 7.870 1.105 ( -2.890 3.108 4.413) 6.122 1.190 ( -2.832 3.573 -2.990) 5.452 1.482 ( -7.390 -3.526 5.465) 9.844 1.581 ( -3.215 -5.896 -2.579) 7.194 1.609 ( -3.470 -1.237 1.504) 3.979 1.632 ( -10.420 4.181 -3.191) 11.672 1.802 ( -7.335 0.355 9.075) 11.674 1.871 ( -3.848 -2.417 0.626) 4.587 2.041 ( -7.048 -0.560 6.266) 9.447 2.170 ( -3.045 1.396 0.785) 3.440 2.174 ( -1.235 1.333 -0.547) 1.898 2.264 ( -6.930 0.067 -11.826) 13.707 2.571 ( -8.592 0.136 1.804) 8.780 2.616 ( -9.891 -0.547 -2.759) 10.283 2.877 ( 2.395 1.193 6.190) 6.744 3.002 ( 2.767 2.018 -7.424) 8.176 3.929 ( -5.740 0.709 2.349) 6.242 3.968 ( -7.830 1.012 -1.024) 7.961 4.024 ( -8.031 0.181 0.343) 8.040 4.084 ( -9.156 -0.301 -5.625) 10.750 4.354 ( 2.040 -0.211 0.431) 2.096 4.365 ( 4.569 -0.163 -0.964) 4.672 4.655 ( 2.481 -0.818 2.813) 3.839 4.694 ( 5.018 -0.029 -1.261) 5.174 4.919 ( 1.306 0.126 1.007) 1.654 4.936 ( 0.579 0.025 -0.527) 0.783 5.054 ( -2.183 0.022 0.753) 2.310 5.078 ( -2.781 -0.555 -1.592) 3.252 5.525 ( -1.773 -3.743 5.123) 6.588 5.568 ( 0.014 -3.082 0.711) 3.163 6.073 ( 5.130 0.719 9.183) 10.544 6.261 ( 6.340 1.261 -10.565) 12.386 6.987 ( 3.938 -0.801 1.581) 4.319 6.992 ( 3.060 -0.927 0.988) 3.346 ======================= Grid point 398 (134/147) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -2.112 7.684 3.904) 8.874 0.778 ( -3.048 3.489 -2.044) 5.064 0.983 ( -7.290 6.354 7.254) 12.089 1.135 ( -1.673 4.473 -6.771) 8.286 1.349 ( -5.314 1.774 4.982) 7.497 1.404 ( -9.298 2.519 0.894) 9.675 1.546 ( -3.488 -4.196 0.102) 5.458 1.557 ( -3.970 -3.451 -0.772) 5.317 1.699 ( -3.097 -0.182 16.030) 16.328 1.839 ( -1.332 -5.054 0.565) 5.257 1.960 ( -1.802 -3.172 0.004) 3.648 2.115 ( -0.797 1.774 -9.455) 9.652 2.184 ( 2.344 0.186 1.219) 2.649 2.233 ( 0.721 -0.699 -6.566) 6.642 2.402 ( -8.102 0.076 0.131) 8.103 2.421 ( -9.579 -0.436 -1.794) 9.755 2.943 ( 4.300 1.186 6.259) 7.686 3.061 ( 3.898 2.277 -6.646) 8.034 3.814 ( -7.023 0.326 0.695) 7.065 3.820 ( -5.326 0.369 0.438) 5.357 3.881 ( -6.873 -0.044 -0.903) 6.932 3.899 ( -8.723 -0.173 -3.058) 9.245 4.380 ( 0.808 0.036 1.984) 2.142 4.428 ( 2.022 -0.198 -3.342) 3.911 4.725 ( 4.209 -0.954 5.141) 6.712 4.776 ( 2.976 0.260 -0.905) 3.122 4.894 ( -3.522 -0.557 1.377) 3.822 4.941 ( -0.353 -0.192 -3.114) 3.140 5.021 ( -0.726 -0.164 2.356) 2.470 5.065 ( 0.441 0.117 -2.111) 2.160 5.510 ( -1.858 -5.265 7.561) 9.399 5.584 ( 0.048 -3.146 -0.314) 3.162 6.145 ( 2.826 1.089 9.615) 10.081 6.344 ( 3.200 1.530 -11.606) 12.136 7.051 ( 2.381 -0.724 2.161) 3.296 7.066 ( 3.448 -1.556 0.850) 3.877 ======================= Grid point 399 (135/147) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -0.000 10.679 3.979) 11.396 0.747 ( -0.000 5.224 -5.586) 7.648 0.841 ( -0.000 7.250 14.085) 15.841 1.087 ( -0.000 4.925 -11.915) 12.893 1.269 ( -0.000 4.733 8.904) 10.084 1.323 ( 0.000 -0.082 0.885) 0.889 1.520 ( 0.000 -3.039 0.684) 3.115 1.529 ( 0.000 -3.673 -0.333) 3.688 1.675 ( -0.000 0.209 17.708) 17.710 1.857 ( 0.000 -6.076 0.899) 6.142 1.972 ( 0.000 -4.185 -3.067) 5.189 2.112 ( -0.000 1.585 -16.107) 16.185 2.242 ( 0.000 -0.720 2.780) 2.871 2.244 ( 0.000 -0.653 2.735) 2.812 2.298 ( 0.000 -0.184 -2.799) 2.805 2.315 ( 0.000 -0.159 -4.421) 4.424 2.991 ( -0.000 0.645 4.844) 4.887 3.096 ( -0.000 2.193 -6.374) 6.741 3.737 ( -0.000 0.126 0.206) 0.242 3.741 ( -0.000 0.147 -0.182) 0.234 3.801 ( -0.000 0.128 1.482) 1.487 3.828 ( -0.000 0.125 -1.325) 1.331 4.386 ( -0.000 0.195 2.453) 2.460 4.447 ( 0.000 -0.085 -4.207) 4.207 4.799 ( -0.000 0.069 0.753) 0.756 4.814 ( -0.000 0.089 -0.862) 0.866 4.820 ( 0.000 -2.298 7.878) 8.206 4.937 ( 0.000 -0.521 -4.954) 4.981 5.018 ( -0.000 0.265 3.006) 3.017 5.070 ( -0.000 0.489 -2.377) 2.427 5.517 ( 0.000 -5.919 8.158) 10.079 5.600 ( 0.000 -3.412 -0.623) 3.469 6.166 ( -0.000 1.240 9.537) 9.617 6.367 ( -0.000 1.697 -11.862) 11.983 7.078 ( 0.000 -0.783 3.066) 3.164 7.113 ( 0.000 -2.298 -0.247) 2.311 ======================= Grid point 406 (136/147) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.337 -0.000 2.533) 2.556 1.119 ( 1.837 -0.000 -1.748) 2.535 1.392 ( -6.094 0.000 7.029) 9.303 1.522 ( -2.834 0.000 -5.614) 6.288 1.546 ( -5.993 0.000 1.039) 6.083 1.580 ( -3.267 0.000 -1.720) 3.692 1.967 ( -1.189 0.000 2.463) 2.735 2.009 ( -0.292 0.000 -2.015) 2.036 2.076 ( -7.723 0.000 10.243) 12.829 2.162 ( -2.568 0.000 -0.012) 2.568 2.259 ( -2.542 0.000 1.461) 2.932 2.278 ( -2.594 0.000 -0.280) 2.609 2.487 ( 5.683 -0.000 0.373) 5.696 2.614 ( 2.361 -0.000 -10.723) 10.980 2.918 ( -8.016 0.000 3.831) 8.884 2.984 ( -7.550 0.000 -3.155) 8.183 3.128 ( -1.539 0.000 0.416) 1.594 3.141 ( -1.697 0.000 -0.653) 1.818 3.905 ( 4.334 -0.000 3.454) 5.542 3.982 ( 4.981 -0.000 -4.714) 6.858 4.236 ( -1.488 0.000 1.196) 1.909 4.254 ( -2.598 0.000 -0.401) 2.629 4.373 ( -4.246 0.000 1.936) 4.666 4.433 ( -5.723 0.000 -4.301) 7.159 4.615 ( 0.528 -0.000 5.253) 5.279 4.704 ( 0.019 -0.000 -4.027) 4.028 4.907 ( -2.722 0.000 0.110) 2.724 4.911 ( -3.235 0.000 -0.388) 3.259 5.142 ( 0.044 -0.000 4.387) 4.387 5.218 ( -0.885 0.000 -3.972) 4.069 5.479 ( 2.679 -0.000 6.424) 6.960 5.537 ( -0.472 0.000 0.506) 0.692 5.763 ( 3.531 -0.000 -0.478) 3.563 5.798 ( 8.001 -0.000 -3.874) 8.889 6.833 ( 1.106 -0.000 3.161) 3.349 6.888 ( 0.249 -0.000 -2.553) 2.565 ======================= Grid point 408 (137/147) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -2.870 -0.119 3.255) 4.341 1.120 ( -2.197 0.038 -2.933) 3.665 1.260 ( -6.716 -0.405 7.292) 9.922 1.389 ( -7.266 -0.607 -5.461) 9.109 1.519 ( -1.016 -1.197 0.517) 1.653 1.553 ( -0.657 -1.205 -2.162) 2.561 1.878 ( -7.594 0.358 7.338) 10.566 1.965 ( -3.714 1.851 -1.250) 4.334 1.984 ( -2.877 -0.994 4.829) 5.708 2.088 ( -5.131 0.820 -3.165) 6.084 2.208 ( -3.191 0.692 0.861) 3.377 2.215 ( -3.084 -0.657 0.244) 3.163 2.564 ( 0.351 0.006 2.874) 2.895 2.658 ( 1.490 -0.088 -6.000) 6.183 2.732 ( -9.207 0.393 2.597) 9.574 2.780 ( -12.897 0.222 -2.273) 13.098 3.073 ( -5.694 0.202 -0.424) 5.713 3.085 ( -3.334 0.248 -2.340) 4.080 3.999 ( 4.630 0.075 4.132) 6.206 4.091 ( 5.336 0.117 -5.643) 7.767 4.209 ( -1.876 0.010 1.558) 2.438 4.215 ( -0.132 -0.018 0.828) 0.838 4.298 ( -3.585 -0.082 -0.507) 3.622 4.329 ( -5.310 -0.020 -3.913) 6.596 4.606 ( -1.044 -0.019 4.727) 4.841 4.679 ( -2.215 -0.125 -3.139) 3.844 4.871 ( -0.707 -0.074 0.479) 0.857 4.884 ( 0.268 -0.124 -0.670) 0.732 5.131 ( -1.224 -0.004 3.465) 3.675 5.191 ( -2.051 -0.050 -3.131) 3.743 5.516 ( 0.913 -0.433 3.701) 3.836 5.533 ( -0.068 -0.331 1.752) 1.784 5.852 ( 5.694 -0.008 4.314) 7.144 5.961 ( 9.052 0.138 -6.621) 11.216 6.864 ( 2.109 -0.073 2.238) 3.076 6.900 ( 0.941 -0.250 -1.427) 1.727 ======================= Grid point 409 (138/147) ======================= q-point: (-0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -6.887 -0.693 3.311) 7.673 1.032 ( -6.732 -0.436 -3.675) 7.682 1.178 ( -1.744 2.012 6.343) 6.880 1.284 ( -4.070 0.308 -4.066) 5.762 1.493 ( -3.245 -3.765 1.823) 5.294 1.545 ( -1.595 -3.378 -2.978) 4.777 1.732 ( -7.002 1.040 9.350) 11.728 1.856 ( -6.741 3.167 -4.224) 8.562 1.927 ( -4.127 -1.372 2.181) 4.865 1.962 ( -7.455 1.105 -0.850) 7.584 2.133 ( -3.954 -0.229 3.573) 5.334 2.184 ( -0.928 -0.211 -0.863) 1.285 2.386 ( -13.776 1.514 4.422) 14.547 2.492 ( -14.379 0.401 -5.584) 15.431 2.680 ( -2.158 0.056 0.724) 2.277 2.697 ( 0.660 -0.324 -0.682) 1.003 2.937 ( -7.228 0.438 2.283) 7.593 3.016 ( -2.422 0.733 -6.336) 6.823 4.023 ( -2.432 0.338 3.746) 4.479 4.100 ( -4.029 0.545 -3.797) 5.563 4.159 ( -5.338 0.081 1.865) 5.655 4.224 ( -5.815 -0.020 -3.525) 6.800 4.266 ( 4.888 0.023 -0.215) 4.893 4.295 ( 3.488 -0.090 -2.112) 4.079 4.608 ( 2.113 0.085 2.474) 3.255 4.641 ( -1.305 -0.681 -1.205) 1.903 4.883 ( 1.698 -0.111 1.351) 2.172 4.909 ( 1.937 -0.046 -1.023) 2.191 5.097 ( -2.202 0.028 2.197) 3.111 5.139 ( -3.470 -0.188 -2.342) 4.190 5.516 ( -1.166 -1.354 3.698) 4.107 5.536 ( 0.019 -1.113 1.624) 1.969 5.968 ( 6.363 0.163 7.795) 10.063 6.129 ( 8.619 0.437 -8.905) 12.400 6.914 ( 3.130 -0.134 1.460) 3.457 6.929 ( 2.091 -0.611 -0.016) 2.178 ======================= Grid point 410 (139/147) ======================= q-point: (-0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -4.606 1.935 2.395) 5.541 0.901 ( -6.323 0.673 -3.164) 7.103 1.143 ( -1.402 4.589 5.616) 7.387 1.222 ( -1.683 2.793 -1.361) 3.534 1.429 ( -6.023 -6.135 4.144) 9.544 1.520 ( -3.838 -6.045 -4.379) 8.393 1.611 ( -5.352 1.042 6.248) 8.293 1.679 ( -9.327 4.465 -2.980) 10.762 1.809 ( -7.681 0.832 4.240) 8.812 1.847 ( -5.008 -2.478 -0.072) 5.588 2.035 ( -7.500 -0.687 8.433) 11.306 2.176 ( -0.676 0.299 1.027) 1.266 2.190 ( -3.834 1.414 -0.471) 4.113 2.265 ( -7.754 0.153 -11.375) 13.767 2.572 ( -8.536 0.133 1.342) 8.642 2.610 ( -9.798 -0.516 -2.560) 10.140 2.887 ( 2.405 0.821 6.694) 7.161 3.019 ( 2.886 1.375 -7.548) 8.197 3.935 ( -5.803 0.527 2.561) 6.365 3.977 ( -8.105 0.740 -0.736) 8.172 4.026 ( -7.932 0.229 -0.303) 7.941 4.081 ( -9.496 -0.435 -5.289) 10.878 4.352 ( 2.103 -0.128 0.400) 2.145 4.364 ( 4.478 -0.113 -1.029) 4.596 4.648 ( 2.321 -0.570 3.424) 4.176 4.694 ( 5.441 -0.016 -1.371) 5.611 4.921 ( 1.613 0.217 0.923) 1.871 4.936 ( 0.330 -0.025 -0.447) 0.556 5.055 ( -2.264 0.176 0.295) 2.290 5.072 ( -2.890 -0.742 -1.322) 3.263 5.491 ( -2.414 -2.892 6.286) 7.329 5.545 ( 0.223 -1.652 0.486) 1.737 6.079 ( 5.280 0.490 9.452) 10.838 6.271 ( 6.408 0.813 -10.752) 12.543 6.981 ( 3.758 -0.430 1.390) 4.030 6.985 ( 3.249 -0.648 0.942) 3.444 ======================= Grid point 411 (140/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -0.208 6.300 1.003) 6.383 0.810 ( -1.898 2.900 -1.392) 3.735 1.044 ( -6.338 6.086 8.074) 11.933 1.184 ( -0.994 5.612 -4.627) 7.341 1.352 ( -2.784 -1.393 4.713) 5.648 1.416 ( -8.481 -0.945 -0.005) 8.534 1.512 ( -4.086 -2.019 1.873) 4.928 1.538 ( -4.704 0.074 -0.968) 4.803 1.692 ( -3.801 -1.097 11.733) 12.382 1.791 ( -2.339 -4.679 -0.202) 5.235 1.932 ( -3.023 -2.645 2.834) 4.916 2.131 ( -0.935 1.489 -8.911) 9.083 2.186 ( 1.949 0.240 1.211) 2.307 2.226 ( 0.725 -0.621 -6.348) 6.419 2.402 ( -8.250 0.078 -0.284) 8.255 2.417 ( -9.535 -0.453 -1.703) 9.697 2.953 ( 4.079 0.916 7.081) 8.223 3.081 ( 3.768 1.739 -6.747) 7.921 3.817 ( -7.289 0.268 0.748) 7.332 3.824 ( -5.640 0.309 0.488) 5.670 3.880 ( -7.509 0.012 -1.059) 7.583 3.897 ( -7.793 -0.286 -2.598) 8.219 4.381 ( 0.984 0.097 1.843) 2.091 4.427 ( 2.157 -0.083 -3.335) 3.973 4.716 ( 4.102 -0.811 6.342) 7.597 4.778 ( 2.881 0.192 -0.986) 3.051 4.890 ( -3.961 -0.342 1.189) 4.150 4.939 ( -0.597 -0.181 -3.574) 3.628 5.019 ( -0.457 -0.171 2.454) 2.502 5.064 ( 0.651 -0.146 -2.201) 2.300 5.463 ( -1.999 -3.991 9.371) 10.380 5.559 ( 0.226 -2.016 -0.918) 2.227 6.155 ( 2.916 0.839 9.838) 10.295 6.357 ( 3.185 1.078 -11.731) 12.203 7.045 ( 2.502 -0.413 1.681) 3.042 7.054 ( 3.216 -1.009 1.087) 3.541 ======================= Grid point 412 (141/147) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -0.000 8.407 1.477) 8.536 0.797 ( -0.000 4.922 -3.764) 6.196 0.913 ( -0.000 7.372 12.745) 14.724 1.138 ( -0.000 5.392 -10.864) 12.128 1.317 ( -0.000 4.352 8.086) 9.183 1.331 ( -0.000 2.408 3.209) 4.011 1.486 ( 0.000 -3.948 0.288) 3.958 1.492 ( 0.000 -3.929 -0.224) 3.935 1.670 ( 0.000 -1.353 14.908) 14.969 1.798 ( 0.000 -5.936 0.296) 5.944 1.930 ( 0.000 -4.235 -1.457) 4.479 2.128 ( -0.000 1.626 -16.187) 16.269 2.235 ( 0.000 -0.504 3.110) 3.151 2.238 ( 0.000 -0.608 2.987) 3.049 2.296 ( 0.000 -0.181 -3.013) 3.018 2.312 ( 0.000 -0.246 -4.405) 4.412 2.998 ( -0.000 0.643 6.167) 6.200 3.116 ( -0.000 1.746 -6.423) 6.656 3.738 ( -0.000 0.119 0.205) 0.237 3.742 ( -0.000 0.138 -0.205) 0.247 3.802 ( -0.000 0.121 1.467) 1.472 3.829 ( -0.000 0.117 -1.337) 1.342 4.389 ( -0.000 0.277 2.311) 2.327 4.447 ( -0.000 0.071 -4.180) 4.181 4.798 ( 0.000 -2.136 9.277) 9.520 4.799 ( -0.000 0.066 0.755) 0.758 4.815 ( -0.000 0.083 -0.879) 0.882 4.933 ( 0.000 -0.434 -5.433) 5.450 5.020 ( -0.000 0.198 2.905) 2.911 5.073 ( -0.000 0.139 -2.490) 2.494 5.464 ( 0.000 -4.771 10.265) 11.320 5.572 ( 0.000 -2.388 -1.343) 2.740 6.178 ( -0.000 1.073 9.768) 9.827 6.381 ( -0.000 1.287 -11.981) 12.050 7.072 ( 0.000 -0.454 2.345) 2.389 7.094 ( 0.000 -1.557 0.406) 1.609 ======================= Grid point 421 (142/147) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -6.568 0.000 3.264) 7.335 1.030 ( -6.648 0.000 -3.835) 7.675 1.190 ( -1.032 0.000 6.174) 6.260 1.285 ( -3.816 0.000 -3.058) 4.890 1.474 ( -3.653 0.000 1.439) 3.926 1.528 ( -1.934 0.000 -3.299) 3.824 1.737 ( -6.956 0.000 9.939) 12.131 1.874 ( -6.700 0.000 -5.738) 8.822 1.917 ( -4.341 0.000 3.773) 5.752 1.968 ( -7.458 0.000 -1.675) 7.643 2.132 ( -4.118 0.000 3.750) 5.570 2.183 ( -0.809 0.000 -0.789) 1.130 2.393 ( -13.732 0.000 4.213) 14.363 2.494 ( -14.347 0.000 -5.320) 15.301 2.680 ( -2.180 0.000 0.588) 2.258 2.695 ( 0.577 -0.000 -0.617) 0.845 2.939 ( -7.171 0.000 2.380) 7.556 3.020 ( -2.344 0.000 -6.373) 6.790 4.025 ( -2.398 0.000 3.797) 4.490 4.103 ( -3.960 0.000 -3.818) 5.500 4.160 ( -5.337 0.000 1.813) 5.637 4.224 ( -5.834 0.000 -3.494) 6.800 4.266 ( 4.866 -0.000 -0.233) 4.872 4.295 ( 3.496 -0.000 -2.080) 4.068 4.608 ( 2.286 -0.000 2.276) 3.225 4.638 ( -1.502 0.000 -0.975) 1.791 4.883 ( 1.736 -0.000 1.365) 2.208 4.909 ( 1.992 -0.000 -1.042) 2.249 5.098 ( -2.191 0.000 2.146) 3.067 5.138 ( -3.525 0.000 -2.291) 4.204 5.510 ( -1.385 0.000 3.871) 4.112 5.531 ( -0.001 0.000 1.572) 1.572 5.969 ( 6.413 -0.000 7.902) 10.177 6.132 ( 8.660 -0.000 -8.949) 12.453 6.913 ( 3.153 -0.000 1.274) 3.400 6.926 ( 2.057 -0.000 0.113) 2.060 ======================= Grid point 423 (143/147) ======================= q-point: (-0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -3.303 0.769 1.429) 3.680 0.906 ( -5.723 0.213 -3.135) 6.529 1.190 ( 0.700 4.482 5.160) 6.871 1.234 ( -1.349 -0.880 2.083) 2.633 1.382 ( -6.199 -2.627 2.662) 7.240 1.474 ( -4.754 -2.868 -5.683) 7.945 1.619 ( -5.532 0.517 8.836) 10.438 1.713 ( -9.011 2.070 -2.794) 9.659 1.816 ( -7.227 0.604 0.611) 7.277 1.826 ( -6.422 -1.529 -0.416) 6.615 2.030 ( -7.757 -0.319 9.970) 12.636 2.177 ( -0.292 0.078 0.957) 1.003 2.199 ( -4.304 0.503 -0.245) 4.340 2.266 ( -8.187 0.075 -11.057) 13.758 2.573 ( -8.492 0.071 1.023) 8.554 2.606 ( -9.753 -0.227 -2.410) 10.049 2.892 ( 2.399 0.291 6.972) 7.379 3.028 ( 2.947 0.486 -7.614) 8.179 3.939 ( -5.828 0.198 2.702) 6.427 3.982 ( -8.305 0.264 -0.444) 8.321 4.028 ( -7.772 0.134 -0.908) 7.826 4.077 ( -9.781 -0.229 -5.010) 10.992 4.351 ( 2.149 -0.041 0.380) 2.183 4.363 ( 4.437 -0.040 -1.060) 4.562 4.644 ( 2.261 -0.204 3.772) 4.403 4.694 ( 5.654 -0.005 -1.429) 5.831 4.923 ( 1.988 0.121 0.844) 2.163 4.936 ( -0.014 -0.037 -0.325) 0.327 5.058 ( -1.912 0.379 -0.239) 1.964 5.065 ( -3.370 -0.621 -0.950) 3.556 5.471 ( -2.605 -1.044 7.034) 7.573 5.535 ( 0.259 -0.538 0.206) 0.631 6.082 ( 5.357 0.173 9.591) 10.987 6.276 ( 6.436 0.280 -10.835) 12.606 6.978 ( 3.511 -0.078 1.299) 3.745 6.980 ( 3.535 -0.283 0.907) 3.660 ======================= Grid point 424 (144/147) ======================= q-point: (-0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -0.699 2.615 -0.629) 2.779 0.835 ( 0.310 2.413 -1.371) 2.792 1.100 ( -6.721 5.110 9.314) 12.571 1.242 ( 0.087 6.025 -2.610) 6.567 1.325 ( 0.418 -3.423 3.661) 5.030 1.382 ( -5.432 -5.387 -2.352) 8.004 1.509 ( -5.796 0.700 5.766) 8.206 1.556 ( -6.605 2.658 -0.682) 7.152 1.679 ( -5.278 -1.364 6.287) 8.321 1.751 ( -2.916 -3.360 -1.062) 4.574 1.911 ( -3.764 -1.477 6.096) 7.315 2.143 ( -1.021 0.860 -8.589) 8.692 2.188 ( 1.721 0.161 1.272) 2.146 2.221 ( 0.714 -0.368 -6.126) 6.178 2.403 ( -8.341 0.132 -0.656) 8.367 2.413 ( -9.468 -0.357 -1.583) 9.607 2.960 ( 3.924 0.483 7.648) 8.610 3.094 ( 3.646 0.932 -6.810) 7.781 3.819 ( -7.524 0.153 0.785) 7.566 3.826 ( -5.841 0.175 0.532) 5.868 3.881 ( -8.380 0.052 -1.304) 8.481 3.894 ( -6.643 -0.247 -2.137) 6.983 4.381 ( 1.116 0.082 1.755) 2.081 4.426 ( 2.281 -0.013 -3.326) 4.033 4.710 ( 3.965 -0.471 7.171) 8.208 4.780 ( 2.815 0.105 -1.026) 2.998 4.887 ( -4.275 -0.150 0.995) 4.392 4.938 ( -0.746 -0.132 -3.883) 3.957 5.017 ( -0.280 -0.105 2.428) 2.446 5.063 ( 0.835 -0.159 -2.204) 2.362 5.434 ( -1.897 -2.045 10.439) 10.805 5.545 ( 0.290 -1.008 -1.427) 1.771 6.161 ( 2.973 0.451 9.977) 10.420 6.365 ( 3.161 0.550 -11.753) 12.183 7.042 ( 2.633 -0.127 1.342) 2.958 7.046 ( 3.089 -0.518 1.244) 3.371 ======================= Grid point 425 (145/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -0.000 4.254 0.587) 4.294 0.842 ( -0.000 4.264 -3.268) 5.372 0.979 ( -0.000 5.890 11.817) 13.203 1.189 ( -0.000 4.776 -10.053) 11.130 1.344 ( -0.000 2.577 9.402) 9.748 1.375 ( -0.000 4.891 4.256) 6.483 1.447 ( 0.000 -3.843 0.324) 3.857 1.455 ( 0.000 -3.489 -0.528) 3.529 1.648 ( 0.000 -2.875 9.757) 10.171 1.745 ( 0.000 -4.715 -0.394) 4.732 1.894 ( 0.000 -2.899 1.957) 3.498 2.142 ( -0.000 1.163 -16.431) 16.472 2.232 ( 0.000 -0.266 3.592) 3.602 2.233 ( 0.000 -0.427 3.193) 3.221 2.294 ( 0.000 -0.131 -3.184) 3.187 2.310 ( 0.000 -0.146 -4.284) 4.286 3.003 ( -0.000 0.421 7.159) 7.172 3.130 ( -0.000 1.097 -6.397) 6.491 3.739 ( -0.000 0.085 0.203) 0.220 3.743 ( -0.000 0.098 -0.223) 0.244 3.803 ( -0.000 0.086 1.454) 1.457 3.830 ( -0.000 0.082 -1.346) 1.348 4.391 ( -0.000 0.253 2.219) 2.233 4.448 ( -0.000 0.141 -4.175) 4.178 4.780 ( 0.000 -1.515 10.291) 10.402 4.800 ( -0.000 0.047 0.757) 0.758 4.816 ( -0.000 0.059 -0.892) 0.894 4.929 ( 0.000 -0.300 -5.940) 5.947 5.021 ( -0.000 0.097 2.754) 2.755 5.073 ( 0.000 -0.027 -2.479) 2.479 5.427 ( 0.000 -2.863 11.493) 11.844 5.553 ( 0.000 -1.445 -2.015) 2.479 6.187 ( -0.000 0.712 9.925) 9.951 6.391 ( -0.000 0.783 -11.951) 11.976 7.069 ( 0.000 -0.145 1.782) 1.788 7.082 ( 0.000 -0.878 0.805) 1.192 ======================= Grid point 436 (146/147) ======================= q-point: (-0.54 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -1.387 0.000 -0.393) 1.441 0.849 ( 1.528 -0.000 -2.129) 2.621 1.130 ( -8.005 0.000 10.209) 12.973 1.279 ( 4.736 -0.000 0.952) 4.831 1.315 ( 1.162 -0.000 3.534) 3.720 1.335 ( -7.250 0.000 -6.698) 9.870 1.514 ( -6.089 0.000 7.731) 9.841 1.572 ( -7.149 0.000 -0.331) 7.157 1.672 ( -6.142 0.000 3.411) 7.026 1.733 ( -3.090 0.000 -1.688) 3.521 1.904 ( -3.964 0.000 7.625) 8.594 2.147 ( -1.059 0.000 -8.493) 8.559 2.189 ( 1.651 -0.000 1.311) 2.108 2.219 ( 0.711 -0.000 -6.024) 6.066 2.404 ( -8.331 0.000 -0.840) 8.374 2.411 ( -9.474 0.000 -1.497) 9.591 2.963 ( 3.867 -0.000 7.852) 8.752 3.099 ( 3.596 -0.000 -6.833) 7.721 3.820 ( -7.622 0.000 0.799) 7.664 3.827 ( -5.905 0.000 0.550) 5.931 3.881 ( -8.948 0.000 -1.457) 9.066 3.893 ( -5.960 0.000 -1.907) 6.257 4.382 ( 1.165 -0.000 1.725) 2.081 4.426 ( 2.331 -0.000 -3.322) 4.058 4.707 ( 3.904 -0.000 7.464) 8.423 4.780 ( 2.791 -0.000 -1.038) 2.978 4.887 ( -4.390 0.000 0.910) 4.483 4.937 ( -0.793 0.000 -3.993) 4.071 5.017 ( -0.222 0.000 2.404) 2.414 5.062 ( 0.912 -0.000 -2.189) 2.371 5.424 ( -1.835 0.000 10.777) 10.932 5.540 ( 0.309 -0.000 -1.611) 1.640 6.163 ( 2.992 -0.000 10.023) 10.460 6.368 ( 3.150 -0.000 -11.752) 12.167 7.042 ( 2.662 -0.000 1.102) 2.881 7.044 ( 3.075 -0.000 1.421) 3.388 ======================= Grid point 438 (147/147) ======================= q-point: (-0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 7.23e-05 7.23e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -0.000 1.188 0.848) 1.460 0.873 ( -0.000 1.677 -3.695) 4.058 1.021 ( -0.000 2.373 11.416) 11.660 1.225 ( -0.000 2.179 -9.763) 10.003 1.367 ( -0.000 1.702 12.348) 12.465 1.411 ( -0.000 1.956 4.113) 4.554 1.418 ( 0.000 -1.752 0.443) 1.807 1.428 ( 0.000 -1.622 -0.723) 1.776 1.624 ( 0.000 -1.494 5.020) 5.238 1.710 ( 0.000 -2.204 -1.700) 2.783 1.875 ( 0.000 -0.943 5.200) 5.285 2.150 ( -0.000 0.411 -16.693) 16.698 2.230 ( 0.000 -0.153 3.311) 3.315 2.230 ( 0.000 -0.076 4.010) 4.011 2.293 ( 0.000 -0.048 -3.279) 3.279 2.310 ( 0.000 -0.035 -4.193) 4.193 3.006 ( -0.000 0.140 7.694) 7.695 3.137 ( -0.000 0.372 -6.376) 6.386 3.740 ( -0.000 0.031 0.203) 0.205 3.744 ( -0.000 0.035 -0.234) 0.237 3.804 ( -0.000 0.031 1.447) 1.447 3.831 ( -0.000 0.030 -1.351) 1.351 4.393 ( -0.000 0.103 2.177) 2.179 4.449 ( -0.000 0.070 -4.181) 4.181 4.769 ( 0.000 -0.548 10.791) 10.805 4.800 ( -0.000 0.017 0.758) 0.758 4.816 ( -0.000 0.021 -0.900) 0.900 4.927 ( 0.000 -0.114 -6.284) 6.285 5.022 ( -0.000 0.027 2.677) 2.677 5.073 ( 0.000 -0.027 -2.422) 2.422 5.408 ( 0.000 -0.936 12.014) 12.051 5.544 ( 0.000 -0.483 -2.373) 2.421 6.191 ( -0.000 0.248 10.003) 10.006 6.396 ( -0.000 0.261 -11.902) 11.905 7.069 ( -0.000 0.007 1.420) 1.420 7.077 ( 0.000 -0.306 1.062) 1.105 =================== 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 3/30420 10.0 31.659 22.783 26.245 0.000 0.000 -0.000 3/30420 20.0 13.063 4.935 6.644 0.000 0.000 -0.000 3/30420 30.0 9.292 2.696 4.343 0.000 0.000 -0.000 3/30420 40.0 7.384 1.884 3.391 0.000 0.000 -0.000 3/30420 50.0 6.142 1.459 2.815 0.000 0.000 -0.000 3/30420 60.0 5.259 1.197 2.422 0.000 0.000 -0.000 3/30420 70.0 4.600 1.019 2.136 0.000 0.000 -0.000 3/30420 80.0 4.090 0.890 1.916 0.000 0.000 -0.000 3/30420 90.0 3.683 0.791 1.740 0.000 0.000 -0.000 3/30420 100.0 3.351 0.712 1.595 0.000 0.000 -0.000 3/30420 110.0 3.074 0.649 1.474 0.000 0.000 -0.000 3/30420 120.0 2.840 0.596 1.370 0.000 0.000 -0.000 3/30420 130.0 2.639 0.551 1.280 0.000 0.000 -0.000 3/30420 140.0 2.464 0.513 1.201 0.000 0.000 -0.000 3/30420 150.0 2.312 0.479 1.132 0.000 0.000 -0.000 3/30420 160.0 2.177 0.450 1.069 0.000 0.000 -0.000 3/30420 170.0 2.057 0.424 1.014 0.000 0.000 -0.000 3/30420 180.0 1.949 0.401 0.964 0.000 0.000 -0.000 3/30420 190.0 1.852 0.381 0.918 0.000 0.000 -0.000 3/30420 200.0 1.765 0.362 0.877 0.000 0.000 -0.000 3/30420 210.0 1.685 0.345 0.839 0.000 0.000 -0.000 3/30420 220.0 1.612 0.330 0.804 0.000 0.000 -0.000 3/30420 230.0 1.545 0.316 0.772 0.000 0.000 -0.000 3/30420 240.0 1.484 0.303 0.742 0.000 0.000 -0.000 3/30420 250.0 1.427 0.291 0.715 0.000 0.000 -0.000 3/30420 260.0 1.374 0.280 0.690 0.000 0.000 -0.000 3/30420 270.0 1.325 0.270 0.666 0.000 0.000 -0.000 3/30420 280.0 1.280 0.260 0.644 0.000 0.000 -0.000 3/30420 290.0 1.237 0.252 0.623 0.000 0.000 -0.000 3/30420 300.0 1.197 0.243 0.603 0.000 0.000 -0.000 3/30420 310.0 1.160 0.236 0.585 0.000 0.000 -0.000 3/30420 320.0 1.125 0.228 0.568 0.000 0.000 -0.000 3/30420 330.0 1.092 0.222 0.552 0.000 0.000 -0.000 3/30420 340.0 1.061 0.215 0.536 0.000 0.000 -0.000 3/30420 350.0 1.031 0.209 0.522 0.000 0.000 -0.000 3/30420 360.0 1.004 0.203 0.508 0.000 0.000 -0.000 3/30420 370.0 0.977 0.198 0.495 0.000 0.000 -0.000 3/30420 380.0 0.952 0.193 0.482 0.000 0.000 -0.000 3/30420 390.0 0.929 0.188 0.471 0.000 0.000 -0.000 3/30420 400.0 0.906 0.183 0.459 0.000 0.000 -0.000 3/30420 410.0 0.884 0.179 0.449 0.000 0.000 -0.000 3/30420 420.0 0.864 0.175 0.439 0.000 0.000 -0.000 3/30420 430.0 0.844 0.171 0.429 0.000 0.000 -0.000 3/30420 440.0 0.825 0.167 0.419 0.000 0.000 -0.000 3/30420 450.0 0.808 0.163 0.410 0.000 0.000 -0.000 3/30420 460.0 0.790 0.160 0.402 0.000 0.000 -0.000 3/30420 470.0 0.774 0.156 0.394 0.000 0.000 -0.000 3/30420 480.0 0.758 0.153 0.386 0.000 0.000 -0.000 3/30420 490.0 0.743 0.150 0.378 0.000 0.000 -0.000 3/30420 500.0 0.728 0.147 0.371 0.000 0.000 -0.000 3/30420 510.0 0.714 0.144 0.364 0.000 0.000 -0.000 3/30420 520.0 0.701 0.141 0.357 0.000 0.000 -0.000 3/30420 530.0 0.688 0.139 0.351 0.000 0.000 -0.000 3/30420 540.0 0.676 0.136 0.344 0.000 0.000 -0.000 3/30420 550.0 0.663 0.134 0.338 0.000 0.000 -0.000 3/30420 560.0 0.652 0.131 0.332 0.000 0.000 -0.000 3/30420 570.0 0.641 0.129 0.327 0.000 0.000 -0.000 3/30420 580.0 0.630 0.127 0.321 0.000 0.000 -0.000 3/30420 590.0 0.619 0.125 0.316 0.000 0.000 -0.000 3/30420 600.0 0.609 0.123 0.311 0.000 0.000 -0.000 3/30420 610.0 0.599 0.121 0.306 0.000 0.000 -0.000 3/30420 620.0 0.590 0.119 0.301 0.000 0.000 -0.000 3/30420 630.0 0.581 0.117 0.296 0.000 0.000 -0.000 3/30420 640.0 0.572 0.115 0.292 0.000 0.000 -0.000 3/30420 650.0 0.563 0.113 0.288 0.000 0.000 -0.000 3/30420 660.0 0.555 0.112 0.283 0.000 0.000 -0.000 3/30420 670.0 0.546 0.110 0.279 0.000 0.000 -0.000 3/30420 680.0 0.539 0.108 0.275 0.000 0.000 -0.000 3/30420 690.0 0.531 0.107 0.271 0.000 0.000 -0.000 3/30420 700.0 0.523 0.105 0.267 0.000 0.000 -0.000 3/30420 710.0 0.516 0.104 0.264 0.000 0.000 -0.000 3/30420 720.0 0.509 0.102 0.260 0.000 0.000 -0.000 3/30420 730.0 0.502 0.101 0.257 0.000 0.000 -0.000 3/30420 740.0 0.495 0.100 0.253 0.000 0.000 -0.000 3/30420 750.0 0.489 0.098 0.250 0.000 0.000 -0.000 3/30420 760.0 0.483 0.097 0.247 0.000 0.000 -0.000 3/30420 770.0 0.476 0.096 0.244 0.000 0.000 -0.000 3/30420 780.0 0.470 0.095 0.241 0.000 0.000 -0.000 3/30420 790.0 0.464 0.093 0.238 0.000 0.000 -0.000 3/30420 800.0 0.459 0.092 0.235 0.000 0.000 -0.000 3/30420 810.0 0.453 0.091 0.232 0.000 0.000 -0.000 3/30420 820.0 0.448 0.090 0.229 0.000 0.000 -0.000 3/30420 830.0 0.442 0.089 0.226 0.000 0.000 -0.000 3/30420 840.0 0.437 0.088 0.224 0.000 0.000 -0.000 3/30420 850.0 0.432 0.087 0.221 0.000 0.000 -0.000 3/30420 860.0 0.427 0.086 0.219 0.000 0.000 -0.000 3/30420 870.0 0.422 0.085 0.216 0.000 0.000 -0.000 3/30420 880.0 0.418 0.084 0.214 0.000 0.000 -0.000 3/30420 890.0 0.413 0.083 0.211 0.000 0.000 -0.000 3/30420 900.0 0.408 0.082 0.209 0.000 0.000 -0.000 3/30420 910.0 0.404 0.081 0.207 0.000 0.000 -0.000 3/30420 920.0 0.400 0.080 0.205 0.000 0.000 -0.000 3/30420 930.0 0.395 0.079 0.203 0.000 0.000 -0.000 3/30420 940.0 0.391 0.079 0.200 0.000 0.000 -0.000 3/30420 950.0 0.387 0.078 0.198 0.000 0.000 -0.000 3/30420 960.0 0.383 0.077 0.196 0.000 0.000 -0.000 3/30420 970.0 0.379 0.076 0.194 0.000 0.000 -0.000 3/30420 980.0 0.375 0.075 0.192 0.000 0.000 -0.000 3/30420 990.0 0.372 0.075 0.190 0.000 0.000 -0.000 3/30420 1000.0 0.368 0.074 0.189 0.000 0.000 -0.000 3/30420 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:18:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|