----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:55:49]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.523559945000000 7.009210190000002 b 3.235354320000000 0.000000000000000 7.009210190000002 c 3.235354320000000 5.523559945000000 0.000000000000000 Atomic positions (fractional): *1 Cs 0.34721407945203 0.34721407945203 0.65278592054797 132.905 2 Cs 0.65278592054797 0.65278592054797 0.34721407945203 132.905 *3 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 *4 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 5 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 *6 Se 0.28252649243933 0.94675342355355 0.05324657644645 78.960 7 Se 0.71747350756067 0.05324657644645 0.94675342355355 78.960 8 Se 0.05324657644645 0.71747350756067 0.28252649243933 78.960 9 Se 0.94675342355355 0.28252649243933 0.71747350756067 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.470708640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.047119889999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.018420380000004 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.34721407945203 132.905 > 1 2 Cs 0.50000000000000 0.00000000000000 0.15278592054797 132.905 > 2 3 Cs 0.00000000000000 0.50000000000000 0.84721407945203 132.905 > 1 4 Cs 0.50000000000000 0.50000000000000 0.65278592054797 132.905 > 2 5 Cs 0.50000000000000 0.00000000000000 0.84721407945203 132.905 > 1 6 Cs 0.00000000000000 0.00000000000000 0.65278592054797 132.905 > 2 7 Cs 0.50000000000000 0.50000000000000 0.34721407945203 132.905 > 1 8 Cs 0.00000000000000 0.50000000000000 0.15278592054797 132.905 > 2 *9 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 3 *10 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 4 11 Pd 0.75000000000000 0.25000000000000 0.00000000000000 106.420 > 5 12 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 3 13 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 4 14 Pd 0.75000000000000 0.75000000000000 0.50000000000000 106.420 > 5 15 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 3 16 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 4 17 Pd 0.25000000000000 0.25000000000000 0.50000000000000 106.420 > 5 18 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 3 19 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 4 20 Pd 0.25000000000000 0.75000000000000 0.00000000000000 106.420 > 5 *21 Se 0.50000000000000 0.66788653444289 0.11463995799644 78.960 > 6 22 Se 0.00000000000000 0.33211346555711 0.38536004200356 78.960 > 7 23 Se 0.00000000000000 0.66788653444289 0.38536004200356 78.960 > 8 24 Se 0.50000000000000 0.33211346555711 0.11463995799644 78.960 > 9 25 Se 0.50000000000000 0.16788653444289 0.61463995799644 78.960 > 6 26 Se 0.00000000000000 0.83211346555711 0.88536004200356 78.960 > 7 27 Se 0.00000000000000 0.16788653444289 0.88536004200356 78.960 > 8 28 Se 0.50000000000000 0.83211346555711 0.61463995799644 78.960 > 9 29 Se 0.00000000000000 0.66788653444289 0.61463995799644 78.960 > 6 30 Se 0.50000000000000 0.33211346555711 0.88536004200356 78.960 > 7 31 Se 0.50000000000000 0.66788653444289 0.88536004200356 78.960 > 8 32 Se 0.00000000000000 0.33211346555711 0.61463995799644 78.960 > 9 33 Se 0.00000000000000 0.16788653444289 0.11463995799644 78.960 > 6 34 Se 0.50000000000000 0.83211346555711 0.38536004200356 78.960 > 7 35 Se 0.50000000000000 0.16788653444289 0.38536004200356 78.960 > 8 36 Se 0.00000000000000 0.83211346555711 0.11463995799644 78.960 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.941417280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 22.094239779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.018420380000004 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.34721407945203 132.905 > 1 2 Cs 0.50000000000000 0.00000000000000 0.34721407945203 132.905 > 1 3 Cs 0.00000000000000 0.50000000000000 0.34721407945203 132.905 > 1 4 Cs 0.50000000000000 0.50000000000000 0.34721407945203 132.905 > 1 5 Cs 0.25000000000000 0.00000000000000 0.15278592054797 132.905 > 2 6 Cs 0.75000000000000 0.00000000000000 0.15278592054797 132.905 > 2 7 Cs 0.25000000000000 0.50000000000000 0.15278592054797 132.905 > 2 8 Cs 0.75000000000000 0.50000000000000 0.15278592054797 132.905 > 2 9 Cs 0.00000000000000 0.25000000000000 0.84721407945203 132.905 > 1 10 Cs 0.50000000000000 0.25000000000000 0.84721407945203 132.905 > 1 11 Cs 0.00000000000000 0.75000000000000 0.84721407945203 132.905 > 1 12 Cs 0.50000000000000 0.75000000000000 0.84721407945203 132.905 > 1 13 Cs 0.25000000000000 0.25000000000000 0.65278592054797 132.905 > 2 14 Cs 0.75000000000000 0.25000000000000 0.65278592054797 132.905 > 2 15 Cs 0.25000000000000 0.75000000000000 0.65278592054797 132.905 > 2 16 Cs 0.75000000000000 0.75000000000000 0.65278592054797 132.905 > 2 17 Cs 0.25000000000000 0.00000000000000 0.84721407945203 132.905 > 1 18 Cs 0.75000000000000 0.00000000000000 0.84721407945203 132.905 > 1 19 Cs 0.25000000000000 0.50000000000000 0.84721407945203 132.905 > 1 20 Cs 0.75000000000000 0.50000000000000 0.84721407945203 132.905 > 1 21 Cs 0.00000000000000 0.00000000000000 0.65278592054797 132.905 > 2 22 Cs 0.50000000000000 0.00000000000000 0.65278592054797 132.905 > 2 23 Cs 0.00000000000000 0.50000000000000 0.65278592054797 132.905 > 2 24 Cs 0.50000000000000 0.50000000000000 0.65278592054797 132.905 > 2 25 Cs 0.25000000000000 0.25000000000000 0.34721407945203 132.905 > 1 26 Cs 0.75000000000000 0.25000000000000 0.34721407945203 132.905 > 1 27 Cs 0.25000000000000 0.75000000000000 0.34721407945203 132.905 > 1 28 Cs 0.75000000000000 0.75000000000000 0.34721407945203 132.905 > 1 29 Cs 0.00000000000000 0.25000000000000 0.15278592054797 132.905 > 2 30 Cs 0.50000000000000 0.25000000000000 0.15278592054797 132.905 > 2 31 Cs 0.00000000000000 0.75000000000000 0.15278592054797 132.905 > 2 32 Cs 0.50000000000000 0.75000000000000 0.15278592054797 132.905 > 2 *33 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 3 34 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 3 35 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 3 36 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 3 *37 Pd 0.37500000000000 0.37500000000000 0.00000000000000 106.420 > 4 38 Pd 0.87500000000000 0.37500000000000 0.00000000000000 106.420 > 4 39 Pd 0.37500000000000 0.87500000000000 0.00000000000000 106.420 > 4 40 Pd 0.87500000000000 0.87500000000000 0.00000000000000 106.420 > 4 41 Pd 0.37500000000000 0.12500000000000 0.00000000000000 106.420 > 5 42 Pd 0.87500000000000 0.12500000000000 0.00000000000000 106.420 > 5 43 Pd 0.37500000000000 0.62500000000000 0.00000000000000 106.420 > 5 44 Pd 0.87500000000000 0.62500000000000 0.00000000000000 106.420 > 5 45 Pd 0.00000000000000 0.25000000000000 0.50000000000000 106.420 > 3 46 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 3 47 Pd 0.00000000000000 0.75000000000000 0.50000000000000 106.420 > 3 48 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 3 49 Pd 0.37500000000000 0.12500000000000 0.50000000000000 106.420 > 4 50 Pd 0.87500000000000 0.12500000000000 0.50000000000000 106.420 > 4 51 Pd 0.37500000000000 0.62500000000000 0.50000000000000 106.420 > 4 52 Pd 0.87500000000000 0.62500000000000 0.50000000000000 106.420 > 4 53 Pd 0.37500000000000 0.37500000000000 0.50000000000000 106.420 > 5 54 Pd 0.87500000000000 0.37500000000000 0.50000000000000 106.420 > 5 55 Pd 0.37500000000000 0.87500000000000 0.50000000000000 106.420 > 5 56 Pd 0.87500000000000 0.87500000000000 0.50000000000000 106.420 > 5 57 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 3 58 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 3 59 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 3 60 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 3 61 Pd 0.12500000000000 0.37500000000000 0.50000000000000 106.420 > 4 62 Pd 0.62500000000000 0.37500000000000 0.50000000000000 106.420 > 4 63 Pd 0.12500000000000 0.87500000000000 0.50000000000000 106.420 > 4 64 Pd 0.62500000000000 0.87500000000000 0.50000000000000 106.420 > 4 65 Pd 0.12500000000000 0.12500000000000 0.50000000000000 106.420 > 5 66 Pd 0.62500000000000 0.12500000000000 0.50000000000000 106.420 > 5 67 Pd 0.12500000000000 0.62500000000000 0.50000000000000 106.420 > 5 68 Pd 0.62500000000000 0.62500000000000 0.50000000000000 106.420 > 5 69 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 3 70 Pd 0.75000000000000 0.25000000000000 0.00000000000000 106.420 > 3 71 Pd 0.25000000000000 0.75000000000000 0.00000000000000 106.420 > 3 72 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 3 73 Pd 0.12500000000000 0.12500000000000 0.00000000000000 106.420 > 4 74 Pd 0.62500000000000 0.12500000000000 0.00000000000000 106.420 > 4 75 Pd 0.12500000000000 0.62500000000000 0.00000000000000 106.420 > 4 76 Pd 0.62500000000000 0.62500000000000 0.00000000000000 106.420 > 4 77 Pd 0.12500000000000 0.37500000000000 0.00000000000000 106.420 > 5 78 Pd 0.62500000000000 0.37500000000000 0.00000000000000 106.420 > 5 79 Pd 0.12500000000000 0.87500000000000 0.00000000000000 106.420 > 5 80 Pd 0.62500000000000 0.87500000000000 0.00000000000000 106.420 > 5 *81 Se 0.25000000000000 0.33394326722145 0.11463995799644 78.960 > 6 82 Se 0.75000000000000 0.33394326722145 0.11463995799644 78.960 > 6 83 Se 0.25000000000000 0.83394326722145 0.11463995799644 78.960 > 6 84 Se 0.75000000000000 0.83394326722145 0.11463995799644 78.960 > 6 85 Se 0.00000000000000 0.16605673277855 0.38536004200356 78.960 > 7 86 Se 0.50000000000000 0.16605673277855 0.38536004200356 78.960 > 7 87 Se 0.00000000000000 0.66605673277855 0.38536004200356 78.960 > 7 88 Se 0.50000000000000 0.66605673277855 0.38536004200356 78.960 > 7 89 Se 0.00000000000000 0.33394326722145 0.38536004200356 78.960 > 8 90 Se 0.50000000000000 0.33394326722145 0.38536004200356 78.960 > 8 91 Se 0.00000000000000 0.83394326722145 0.38536004200356 78.960 > 8 92 Se 0.50000000000000 0.83394326722145 0.38536004200356 78.960 > 8 93 Se 0.25000000000000 0.16605673277855 0.11463995799644 78.960 > 9 94 Se 0.75000000000000 0.16605673277855 0.11463995799644 78.960 > 9 95 Se 0.25000000000000 0.66605673277855 0.11463995799644 78.960 > 9 96 Se 0.75000000000000 0.66605673277855 0.11463995799644 78.960 > 9 97 Se 0.25000000000000 0.08394326722145 0.61463995799644 78.960 > 6 98 Se 0.75000000000000 0.08394326722145 0.61463995799644 78.960 > 6 99 Se 0.25000000000000 0.58394326722145 0.61463995799644 78.960 > 6 100 Se 0.75000000000000 0.58394326722145 0.61463995799644 78.960 > 6 101 Se 0.00000000000000 0.41605673277855 0.88536004200356 78.960 > 7 102 Se 0.50000000000000 0.41605673277855 0.88536004200356 78.960 > 7 103 Se 0.00000000000000 0.91605673277855 0.88536004200356 78.960 > 7 104 Se 0.50000000000000 0.91605673277855 0.88536004200356 78.960 > 7 105 Se 0.00000000000000 0.08394326722145 0.88536004200356 78.960 > 8 106 Se 0.50000000000000 0.08394326722145 0.88536004200356 78.960 > 8 107 Se 0.00000000000000 0.58394326722145 0.88536004200356 78.960 > 8 108 Se 0.50000000000000 0.58394326722145 0.88536004200356 78.960 > 8 109 Se 0.25000000000000 0.41605673277855 0.61463995799644 78.960 > 9 110 Se 0.75000000000000 0.41605673277855 0.61463995799644 78.960 > 9 111 Se 0.25000000000000 0.91605673277855 0.61463995799644 78.960 > 9 112 Se 0.75000000000000 0.91605673277855 0.61463995799644 78.960 > 9 113 Se 0.00000000000000 0.33394326722145 0.61463995799644 78.960 > 6 114 Se 0.50000000000000 0.33394326722145 0.61463995799644 78.960 > 6 115 Se 0.00000000000000 0.83394326722145 0.61463995799644 78.960 > 6 116 Se 0.50000000000000 0.83394326722145 0.61463995799644 78.960 > 6 117 Se 0.25000000000000 0.16605673277855 0.88536004200356 78.960 > 7 118 Se 0.75000000000000 0.16605673277855 0.88536004200356 78.960 > 7 119 Se 0.25000000000000 0.66605673277855 0.88536004200356 78.960 > 7 120 Se 0.75000000000000 0.66605673277855 0.88536004200356 78.960 > 7 121 Se 0.25000000000000 0.33394326722145 0.88536004200356 78.960 > 8 122 Se 0.75000000000000 0.33394326722145 0.88536004200356 78.960 > 8 123 Se 0.25000000000000 0.83394326722145 0.88536004200356 78.960 > 8 124 Se 0.75000000000000 0.83394326722145 0.88536004200356 78.960 > 8 125 Se 0.00000000000000 0.16605673277855 0.61463995799644 78.960 > 9 126 Se 0.50000000000000 0.16605673277855 0.61463995799644 78.960 > 9 127 Se 0.00000000000000 0.66605673277855 0.61463995799644 78.960 > 9 128 Se 0.50000000000000 0.66605673277855 0.61463995799644 78.960 > 9 129 Se 0.00000000000000 0.08394326722145 0.11463995799644 78.960 > 6 130 Se 0.50000000000000 0.08394326722145 0.11463995799644 78.960 > 6 131 Se 0.00000000000000 0.58394326722145 0.11463995799644 78.960 > 6 132 Se 0.50000000000000 0.58394326722145 0.11463995799644 78.960 > 6 133 Se 0.25000000000000 0.41605673277855 0.38536004200356 78.960 > 7 134 Se 0.75000000000000 0.41605673277855 0.38536004200356 78.960 > 7 135 Se 0.25000000000000 0.91605673277855 0.38536004200356 78.960 > 7 136 Se 0.75000000000000 0.91605673277855 0.38536004200356 78.960 > 7 137 Se 0.25000000000000 0.08394326722145 0.38536004200356 78.960 > 8 138 Se 0.75000000000000 0.08394326722145 0.38536004200356 78.960 > 8 139 Se 0.25000000000000 0.58394326722145 0.38536004200356 78.960 > 8 140 Se 0.75000000000000 0.58394326722145 0.38536004200356 78.960 > 8 141 Se 0.00000000000000 0.41605673277855 0.11463995799644 78.960 > 9 142 Se 0.50000000000000 0.41605673277855 0.11463995799644 78.960 > 9 143 Se 0.00000000000000 0.91605673277855 0.11463995799644 78.960 > 9 144 Se 0.50000000000000 0.91605673277855 0.11463995799644 78.960 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2954835 0.0000000 0.0000000 0.0000000 8.5692653 0.0000000 0.0000000 0.0000000 5.7581780 -------------------------- Born effective charges -------------------------- 1 Cs 1.4849714 0.0000000 0.0000000 0.0000000 1.6949743 0.0000000 0.0000000 0.0000000 1.3630456 2 Cs 1.4849714 0.0000000 0.0000000 0.0000000 1.6949743 0.0000000 0.0000000 0.0000000 1.3630456 3 Pd -0.4292071 0.0000000 0.0000000 0.0000000 0.7716632 0.0000000 0.0000000 0.0000000 0.4003483 4 Pd 0.4940728 0.6017256 0.0000000 0.6224080 -0.1390352 0.0000000 0.0000000 0.0000000 0.4070289 5 Pd 0.4940728 -0.6017256 0.0000000 -0.6224080 -0.1390352 0.0000000 0.0000000 0.0000000 0.4070289 6 Se -0.8822203 0.0000000 0.0000000 0.0000000 -0.9708853 0.1337467 0.0000000 0.0183202 -0.9851243 7 Se -0.8822203 0.0000000 0.0000000 0.0000000 -0.9708853 0.1337467 0.0000000 0.0183202 -0.9851243 8 Se -0.8822203 0.0000000 0.0000000 0.0000000 -0.9708853 -0.1337467 0.0000000 -0.0183202 -0.9851243 9 Se -0.8822203 0.0000000 0.0000000 0.0000000 -0.9708853 -0.1337467 0.0000000 -0.0183202 -0.9851243 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (1, 1), data: True |-- (100, 100), data: True |-- (128, 126), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.300 Solver_block: 160 / 160 - Time: 0.212 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.530 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (1, 1), data: True |-- (100, 100), data: True |-- (128, 126), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:56:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:56:00]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.523559945000000 7.009210190000002 b 3.235354320000000 0.000000000000000 7.009210190000002 c 3.235354320000000 5.523559945000000 0.000000000000000 Atomic positions (fractional): 1 Cs 0.34721407945203 0.34721407945203 0.65278592054797 132.905 2 Cs 0.65278592054797 0.65278592054797 0.34721407945203 132.905 3 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 4 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 5 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 6 Se 0.28252649243933 0.94675342355355 0.05324657644645 78.960 7 Se 0.71747350756067 0.05324657644645 0.94675342355355 78.960 8 Se 0.05324657644645 0.71747350756067 0.28252649243933 78.960 9 Se 0.94675342355355 0.28252649243933 0.71747350756067 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.941417280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 22.094239779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.018420380000004 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.34721407945203 132.905 > 1 2 Cs 0.50000000000000 0.00000000000000 0.34721407945203 132.905 > 1 3 Cs 0.00000000000000 0.50000000000000 0.34721407945203 132.905 > 1 4 Cs 0.50000000000000 0.50000000000000 0.34721407945203 132.905 > 1 5 Cs 0.25000000000000 0.00000000000000 0.15278592054797 132.905 > 5 6 Cs 0.75000000000000 0.00000000000000 0.15278592054797 132.905 > 5 7 Cs 0.25000000000000 0.50000000000000 0.15278592054797 132.905 > 5 8 Cs 0.75000000000000 0.50000000000000 0.15278592054797 132.905 > 5 9 Cs 0.00000000000000 0.25000000000000 0.84721407945203 132.905 > 1 10 Cs 0.50000000000000 0.25000000000000 0.84721407945203 132.905 > 1 11 Cs 0.00000000000000 0.75000000000000 0.84721407945203 132.905 > 1 12 Cs 0.50000000000000 0.75000000000000 0.84721407945203 132.905 > 1 13 Cs 0.25000000000000 0.25000000000000 0.65278592054797 132.905 > 5 14 Cs 0.75000000000000 0.25000000000000 0.65278592054797 132.905 > 5 15 Cs 0.25000000000000 0.75000000000000 0.65278592054797 132.905 > 5 16 Cs 0.75000000000000 0.75000000000000 0.65278592054797 132.905 > 5 17 Cs 0.25000000000000 0.00000000000000 0.84721407945203 132.905 > 1 18 Cs 0.75000000000000 0.00000000000000 0.84721407945203 132.905 > 1 19 Cs 0.25000000000000 0.50000000000000 0.84721407945203 132.905 > 1 20 Cs 0.75000000000000 0.50000000000000 0.84721407945203 132.905 > 1 21 Cs 0.00000000000000 0.00000000000000 0.65278592054797 132.905 > 5 22 Cs 0.50000000000000 0.00000000000000 0.65278592054797 132.905 > 5 23 Cs 0.00000000000000 0.50000000000000 0.65278592054797 132.905 > 5 24 Cs 0.50000000000000 0.50000000000000 0.65278592054797 132.905 > 5 25 Cs 0.25000000000000 0.25000000000000 0.34721407945203 132.905 > 1 26 Cs 0.75000000000000 0.25000000000000 0.34721407945203 132.905 > 1 27 Cs 0.25000000000000 0.75000000000000 0.34721407945203 132.905 > 1 28 Cs 0.75000000000000 0.75000000000000 0.34721407945203 132.905 > 1 29 Cs 0.00000000000000 0.25000000000000 0.15278592054797 132.905 > 5 30 Cs 0.50000000000000 0.25000000000000 0.15278592054797 132.905 > 5 31 Cs 0.00000000000000 0.75000000000000 0.15278592054797 132.905 > 5 32 Cs 0.50000000000000 0.75000000000000 0.15278592054797 132.905 > 5 33 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 33 34 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 33 35 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 33 36 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 33 37 Pd 0.37500000000000 0.37500000000000 0.00000000000000 106.420 > 37 38 Pd 0.87500000000000 0.37500000000000 0.00000000000000 106.420 > 37 39 Pd 0.37500000000000 0.87500000000000 0.00000000000000 106.420 > 37 40 Pd 0.87500000000000 0.87500000000000 0.00000000000000 106.420 > 37 41 Pd 0.37500000000000 0.12500000000000 0.00000000000000 106.420 > 41 42 Pd 0.87500000000000 0.12500000000000 0.00000000000000 106.420 > 41 43 Pd 0.37500000000000 0.62500000000000 0.00000000000000 106.420 > 41 44 Pd 0.87500000000000 0.62500000000000 0.00000000000000 106.420 > 41 45 Pd 0.00000000000000 0.25000000000000 0.50000000000000 106.420 > 33 46 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 33 47 Pd 0.00000000000000 0.75000000000000 0.50000000000000 106.420 > 33 48 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 33 49 Pd 0.37500000000000 0.12500000000000 0.50000000000000 106.420 > 37 50 Pd 0.87500000000000 0.12500000000000 0.50000000000000 106.420 > 37 51 Pd 0.37500000000000 0.62500000000000 0.50000000000000 106.420 > 37 52 Pd 0.87500000000000 0.62500000000000 0.50000000000000 106.420 > 37 53 Pd 0.37500000000000 0.37500000000000 0.50000000000000 106.420 > 41 54 Pd 0.87500000000000 0.37500000000000 0.50000000000000 106.420 > 41 55 Pd 0.37500000000000 0.87500000000000 0.50000000000000 106.420 > 41 56 Pd 0.87500000000000 0.87500000000000 0.50000000000000 106.420 > 41 57 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 33 58 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 33 59 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 33 60 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 33 61 Pd 0.12500000000000 0.37500000000000 0.50000000000000 106.420 > 37 62 Pd 0.62500000000000 0.37500000000000 0.50000000000000 106.420 > 37 63 Pd 0.12500000000000 0.87500000000000 0.50000000000000 106.420 > 37 64 Pd 0.62500000000000 0.87500000000000 0.50000000000000 106.420 > 37 65 Pd 0.12500000000000 0.12500000000000 0.50000000000000 106.420 > 41 66 Pd 0.62500000000000 0.12500000000000 0.50000000000000 106.420 > 41 67 Pd 0.12500000000000 0.62500000000000 0.50000000000000 106.420 > 41 68 Pd 0.62500000000000 0.62500000000000 0.50000000000000 106.420 > 41 69 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 33 70 Pd 0.75000000000000 0.25000000000000 0.00000000000000 106.420 > 33 71 Pd 0.25000000000000 0.75000000000000 0.00000000000000 106.420 > 33 72 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 33 73 Pd 0.12500000000000 0.12500000000000 0.00000000000000 106.420 > 37 74 Pd 0.62500000000000 0.12500000000000 0.00000000000000 106.420 > 37 75 Pd 0.12500000000000 0.62500000000000 0.00000000000000 106.420 > 37 76 Pd 0.62500000000000 0.62500000000000 0.00000000000000 106.420 > 37 77 Pd 0.12500000000000 0.37500000000000 0.00000000000000 106.420 > 41 78 Pd 0.62500000000000 0.37500000000000 0.00000000000000 106.420 > 41 79 Pd 0.12500000000000 0.87500000000000 0.00000000000000 106.420 > 41 80 Pd 0.62500000000000 0.87500000000000 0.00000000000000 106.420 > 41 81 Se 0.25000000000000 0.33394326722145 0.11463995799644 78.960 > 81 82 Se 0.75000000000000 0.33394326722145 0.11463995799644 78.960 > 81 83 Se 0.25000000000000 0.83394326722145 0.11463995799644 78.960 > 81 84 Se 0.75000000000000 0.83394326722145 0.11463995799644 78.960 > 81 85 Se 0.00000000000000 0.16605673277855 0.38536004200356 78.960 > 85 86 Se 0.50000000000000 0.16605673277855 0.38536004200356 78.960 > 85 87 Se 0.00000000000000 0.66605673277855 0.38536004200356 78.960 > 85 88 Se 0.50000000000000 0.66605673277855 0.38536004200356 78.960 > 85 89 Se 0.00000000000000 0.33394326722145 0.38536004200356 78.960 > 89 90 Se 0.50000000000000 0.33394326722145 0.38536004200356 78.960 > 89 91 Se 0.00000000000000 0.83394326722145 0.38536004200356 78.960 > 89 92 Se 0.50000000000000 0.83394326722145 0.38536004200356 78.960 > 89 93 Se 0.25000000000000 0.16605673277855 0.11463995799644 78.960 > 93 94 Se 0.75000000000000 0.16605673277855 0.11463995799644 78.960 > 93 95 Se 0.25000000000000 0.66605673277855 0.11463995799644 78.960 > 93 96 Se 0.75000000000000 0.66605673277855 0.11463995799644 78.960 > 93 97 Se 0.25000000000000 0.08394326722145 0.61463995799644 78.960 > 81 98 Se 0.75000000000000 0.08394326722145 0.61463995799644 78.960 > 81 99 Se 0.25000000000000 0.58394326722145 0.61463995799644 78.960 > 81 100 Se 0.75000000000000 0.58394326722145 0.61463995799644 78.960 > 81 101 Se 0.00000000000000 0.41605673277855 0.88536004200356 78.960 > 85 102 Se 0.50000000000000 0.41605673277855 0.88536004200356 78.960 > 85 103 Se 0.00000000000000 0.91605673277855 0.88536004200356 78.960 > 85 104 Se 0.50000000000000 0.91605673277855 0.88536004200356 78.960 > 85 105 Se 0.00000000000000 0.08394326722145 0.88536004200356 78.960 > 89 106 Se 0.50000000000000 0.08394326722145 0.88536004200356 78.960 > 89 107 Se 0.00000000000000 0.58394326722145 0.88536004200356 78.960 > 89 108 Se 0.50000000000000 0.58394326722145 0.88536004200356 78.960 > 89 109 Se 0.25000000000000 0.41605673277855 0.61463995799644 78.960 > 93 110 Se 0.75000000000000 0.41605673277855 0.61463995799644 78.960 > 93 111 Se 0.25000000000000 0.91605673277855 0.61463995799644 78.960 > 93 112 Se 0.75000000000000 0.91605673277855 0.61463995799644 78.960 > 93 113 Se 0.00000000000000 0.33394326722145 0.61463995799644 78.960 > 81 114 Se 0.50000000000000 0.33394326722145 0.61463995799644 78.960 > 81 115 Se 0.00000000000000 0.83394326722145 0.61463995799644 78.960 > 81 116 Se 0.50000000000000 0.83394326722145 0.61463995799644 78.960 > 81 117 Se 0.25000000000000 0.16605673277855 0.88536004200356 78.960 > 85 118 Se 0.75000000000000 0.16605673277855 0.88536004200356 78.960 > 85 119 Se 0.25000000000000 0.66605673277855 0.88536004200356 78.960 > 85 120 Se 0.75000000000000 0.66605673277855 0.88536004200356 78.960 > 85 121 Se 0.25000000000000 0.33394326722145 0.88536004200356 78.960 > 89 122 Se 0.75000000000000 0.33394326722145 0.88536004200356 78.960 > 89 123 Se 0.25000000000000 0.83394326722145 0.88536004200356 78.960 > 89 124 Se 0.75000000000000 0.83394326722145 0.88536004200356 78.960 > 89 125 Se 0.00000000000000 0.16605673277855 0.61463995799644 78.960 > 93 126 Se 0.50000000000000 0.16605673277855 0.61463995799644 78.960 > 93 127 Se 0.00000000000000 0.66605673277855 0.61463995799644 78.960 > 93 128 Se 0.50000000000000 0.66605673277855 0.61463995799644 78.960 > 93 129 Se 0.00000000000000 0.08394326722145 0.11463995799644 78.960 > 81 130 Se 0.50000000000000 0.08394326722145 0.11463995799644 78.960 > 81 131 Se 0.00000000000000 0.58394326722145 0.11463995799644 78.960 > 81 132 Se 0.50000000000000 0.58394326722145 0.11463995799644 78.960 > 81 133 Se 0.25000000000000 0.41605673277855 0.38536004200356 78.960 > 85 134 Se 0.75000000000000 0.41605673277855 0.38536004200356 78.960 > 85 135 Se 0.25000000000000 0.91605673277855 0.38536004200356 78.960 > 85 136 Se 0.75000000000000 0.91605673277855 0.38536004200356 78.960 > 85 137 Se 0.25000000000000 0.08394326722145 0.38536004200356 78.960 > 89 138 Se 0.75000000000000 0.08394326722145 0.38536004200356 78.960 > 89 139 Se 0.25000000000000 0.58394326722145 0.38536004200356 78.960 > 89 140 Se 0.75000000000000 0.58394326722145 0.38536004200356 78.960 > 89 141 Se 0.00000000000000 0.41605673277855 0.11463995799644 78.960 > 93 142 Se 0.50000000000000 0.41605673277855 0.11463995799644 78.960 > 93 143 Se 0.00000000000000 0.91605673277855 0.11463995799644 78.960 > 93 144 Se 0.50000000000000 0.91605673277855 0.11463995799644 78.960 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2954835 0.0000000 0.0000000 0.0000000 8.5692653 0.0000000 0.0000000 0.0000000 5.7581780 -------------------------- Born effective charges -------------------------- 1 Cs 1.4849714 0.0000000 0.0000000 0.0000000 1.6949743 0.0000000 0.0000000 0.0000000 1.3630456 2 Cs 1.4849714 0.0000000 0.0000000 0.0000000 1.6949743 0.0000000 0.0000000 0.0000000 1.3630456 3 Pd -0.4292071 0.0000000 0.0000000 0.0000000 0.7716632 0.0000000 0.0000000 0.0000000 0.4003483 4 Pd 0.4940728 0.6017256 0.0000000 0.6224080 -0.1390352 0.0000000 0.0000000 0.0000000 0.4070289 5 Pd 0.4940728 -0.6017256 0.0000000 -0.6224080 -0.1390352 0.0000000 0.0000000 0.0000000 0.4070289 6 Se -0.8822203 0.0000000 0.0000000 0.0000000 -0.9708853 0.1337467 0.0000000 0.0183202 -0.9851243 7 Se -0.8822203 0.0000000 0.0000000 0.0000000 -0.9708853 0.1337467 0.0000000 0.0183202 -0.9851243 8 Se -0.8822203 0.0000000 0.0000000 0.0000000 -0.9708853 -0.1337467 0.0000000 -0.0183202 -0.9851243 9 Se -0.8822203 0.0000000 0.0000000 0.0000000 -0.9708853 -0.1337467 0.0000000 -0.0183202 -0.9851243 ---------------------------------------------------------------------------- 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[ 33, 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[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:56:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:56:17]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.523559945000000 7.009210190000002 b 3.235354320000000 0.000000000000000 7.009210190000002 c 3.235354320000000 5.523559945000000 0.000000000000000 Atomic positions (fractional): 1 Cs 0.34721407945203 0.34721407945203 0.65278592054797 132.905 2 Cs 0.65278592054797 0.65278592054797 0.34721407945203 132.905 3 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 4 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 5 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 6 Se 0.28252649243933 0.94675342355355 0.05324657644645 78.960 7 Se 0.71747350756067 0.05324657644645 0.94675342355355 78.960 8 Se 0.05324657644645 0.71747350756067 0.28252649243933 78.960 9 Se 0.94675342355355 0.28252649243933 0.71747350756067 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.941417280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 22.094239779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.018420380000004 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.34721407945203 132.905 > 1 2 Cs 0.50000000000000 0.00000000000000 0.34721407945203 132.905 > 1 3 Cs 0.00000000000000 0.50000000000000 0.34721407945203 132.905 > 1 4 Cs 0.50000000000000 0.50000000000000 0.34721407945203 132.905 > 1 5 Cs 0.25000000000000 0.00000000000000 0.15278592054797 132.905 > 5 6 Cs 0.75000000000000 0.00000000000000 0.15278592054797 132.905 > 5 7 Cs 0.25000000000000 0.50000000000000 0.15278592054797 132.905 > 5 8 Cs 0.75000000000000 0.50000000000000 0.15278592054797 132.905 > 5 9 Cs 0.00000000000000 0.25000000000000 0.84721407945203 132.905 > 1 10 Cs 0.50000000000000 0.25000000000000 0.84721407945203 132.905 > 1 11 Cs 0.00000000000000 0.75000000000000 0.84721407945203 132.905 > 1 12 Cs 0.50000000000000 0.75000000000000 0.84721407945203 132.905 > 1 13 Cs 0.25000000000000 0.25000000000000 0.65278592054797 132.905 > 5 14 Cs 0.75000000000000 0.25000000000000 0.65278592054797 132.905 > 5 15 Cs 0.25000000000000 0.75000000000000 0.65278592054797 132.905 > 5 16 Cs 0.75000000000000 0.75000000000000 0.65278592054797 132.905 > 5 17 Cs 0.25000000000000 0.00000000000000 0.84721407945203 132.905 > 1 18 Cs 0.75000000000000 0.00000000000000 0.84721407945203 132.905 > 1 19 Cs 0.25000000000000 0.50000000000000 0.84721407945203 132.905 > 1 20 Cs 0.75000000000000 0.50000000000000 0.84721407945203 132.905 > 1 21 Cs 0.00000000000000 0.00000000000000 0.65278592054797 132.905 > 5 22 Cs 0.50000000000000 0.00000000000000 0.65278592054797 132.905 > 5 23 Cs 0.00000000000000 0.50000000000000 0.65278592054797 132.905 > 5 24 Cs 0.50000000000000 0.50000000000000 0.65278592054797 132.905 > 5 25 Cs 0.25000000000000 0.25000000000000 0.34721407945203 132.905 > 1 26 Cs 0.75000000000000 0.25000000000000 0.34721407945203 132.905 > 1 27 Cs 0.25000000000000 0.75000000000000 0.34721407945203 132.905 > 1 28 Cs 0.75000000000000 0.75000000000000 0.34721407945203 132.905 > 1 29 Cs 0.00000000000000 0.25000000000000 0.15278592054797 132.905 > 5 30 Cs 0.50000000000000 0.25000000000000 0.15278592054797 132.905 > 5 31 Cs 0.00000000000000 0.75000000000000 0.15278592054797 132.905 > 5 32 Cs 0.50000000000000 0.75000000000000 0.15278592054797 132.905 > 5 33 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 33 34 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 33 35 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 33 36 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 33 37 Pd 0.37500000000000 0.37500000000000 0.00000000000000 106.420 > 37 38 Pd 0.87500000000000 0.37500000000000 0.00000000000000 106.420 > 37 39 Pd 0.37500000000000 0.87500000000000 0.00000000000000 106.420 > 37 40 Pd 0.87500000000000 0.87500000000000 0.00000000000000 106.420 > 37 41 Pd 0.37500000000000 0.12500000000000 0.00000000000000 106.420 > 41 42 Pd 0.87500000000000 0.12500000000000 0.00000000000000 106.420 > 41 43 Pd 0.37500000000000 0.62500000000000 0.00000000000000 106.420 > 41 44 Pd 0.87500000000000 0.62500000000000 0.00000000000000 106.420 > 41 45 Pd 0.00000000000000 0.25000000000000 0.50000000000000 106.420 > 33 46 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 33 47 Pd 0.00000000000000 0.75000000000000 0.50000000000000 106.420 > 33 48 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 33 49 Pd 0.37500000000000 0.12500000000000 0.50000000000000 106.420 > 37 50 Pd 0.87500000000000 0.12500000000000 0.50000000000000 106.420 > 37 51 Pd 0.37500000000000 0.62500000000000 0.50000000000000 106.420 > 37 52 Pd 0.87500000000000 0.62500000000000 0.50000000000000 106.420 > 37 53 Pd 0.37500000000000 0.37500000000000 0.50000000000000 106.420 > 41 54 Pd 0.87500000000000 0.37500000000000 0.50000000000000 106.420 > 41 55 Pd 0.37500000000000 0.87500000000000 0.50000000000000 106.420 > 41 56 Pd 0.87500000000000 0.87500000000000 0.50000000000000 106.420 > 41 57 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 33 58 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 33 59 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 33 60 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 33 61 Pd 0.12500000000000 0.37500000000000 0.50000000000000 106.420 > 37 62 Pd 0.62500000000000 0.37500000000000 0.50000000000000 106.420 > 37 63 Pd 0.12500000000000 0.87500000000000 0.50000000000000 106.420 > 37 64 Pd 0.62500000000000 0.87500000000000 0.50000000000000 106.420 > 37 65 Pd 0.12500000000000 0.12500000000000 0.50000000000000 106.420 > 41 66 Pd 0.62500000000000 0.12500000000000 0.50000000000000 106.420 > 41 67 Pd 0.12500000000000 0.62500000000000 0.50000000000000 106.420 > 41 68 Pd 0.62500000000000 0.62500000000000 0.50000000000000 106.420 > 41 69 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 33 70 Pd 0.75000000000000 0.25000000000000 0.00000000000000 106.420 > 33 71 Pd 0.25000000000000 0.75000000000000 0.00000000000000 106.420 > 33 72 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 33 73 Pd 0.12500000000000 0.12500000000000 0.00000000000000 106.420 > 37 74 Pd 0.62500000000000 0.12500000000000 0.00000000000000 106.420 > 37 75 Pd 0.12500000000000 0.62500000000000 0.00000000000000 106.420 > 37 76 Pd 0.62500000000000 0.62500000000000 0.00000000000000 106.420 > 37 77 Pd 0.12500000000000 0.37500000000000 0.00000000000000 106.420 > 41 78 Pd 0.62500000000000 0.37500000000000 0.00000000000000 106.420 > 41 79 Pd 0.12500000000000 0.87500000000000 0.00000000000000 106.420 > 41 80 Pd 0.62500000000000 0.87500000000000 0.00000000000000 106.420 > 41 81 Se 0.25000000000000 0.33394326722145 0.11463995799644 78.960 > 81 82 Se 0.75000000000000 0.33394326722145 0.11463995799644 78.960 > 81 83 Se 0.25000000000000 0.83394326722145 0.11463995799644 78.960 > 81 84 Se 0.75000000000000 0.83394326722145 0.11463995799644 78.960 > 81 85 Se 0.00000000000000 0.16605673277855 0.38536004200356 78.960 > 85 86 Se 0.50000000000000 0.16605673277855 0.38536004200356 78.960 > 85 87 Se 0.00000000000000 0.66605673277855 0.38536004200356 78.960 > 85 88 Se 0.50000000000000 0.66605673277855 0.38536004200356 78.960 > 85 89 Se 0.00000000000000 0.33394326722145 0.38536004200356 78.960 > 89 90 Se 0.50000000000000 0.33394326722145 0.38536004200356 78.960 > 89 91 Se 0.00000000000000 0.83394326722145 0.38536004200356 78.960 > 89 92 Se 0.50000000000000 0.83394326722145 0.38536004200356 78.960 > 89 93 Se 0.25000000000000 0.16605673277855 0.11463995799644 78.960 > 93 94 Se 0.75000000000000 0.16605673277855 0.11463995799644 78.960 > 93 95 Se 0.25000000000000 0.66605673277855 0.11463995799644 78.960 > 93 96 Se 0.75000000000000 0.66605673277855 0.11463995799644 78.960 > 93 97 Se 0.25000000000000 0.08394326722145 0.61463995799644 78.960 > 81 98 Se 0.75000000000000 0.08394326722145 0.61463995799644 78.960 > 81 99 Se 0.25000000000000 0.58394326722145 0.61463995799644 78.960 > 81 100 Se 0.75000000000000 0.58394326722145 0.61463995799644 78.960 > 81 101 Se 0.00000000000000 0.41605673277855 0.88536004200356 78.960 > 85 102 Se 0.50000000000000 0.41605673277855 0.88536004200356 78.960 > 85 103 Se 0.00000000000000 0.91605673277855 0.88536004200356 78.960 > 85 104 Se 0.50000000000000 0.91605673277855 0.88536004200356 78.960 > 85 105 Se 0.00000000000000 0.08394326722145 0.88536004200356 78.960 > 89 106 Se 0.50000000000000 0.08394326722145 0.88536004200356 78.960 > 89 107 Se 0.00000000000000 0.58394326722145 0.88536004200356 78.960 > 89 108 Se 0.50000000000000 0.58394326722145 0.88536004200356 78.960 > 89 109 Se 0.25000000000000 0.41605673277855 0.61463995799644 78.960 > 93 110 Se 0.75000000000000 0.41605673277855 0.61463995799644 78.960 > 93 111 Se 0.25000000000000 0.91605673277855 0.61463995799644 78.960 > 93 112 Se 0.75000000000000 0.91605673277855 0.61463995799644 78.960 > 93 113 Se 0.00000000000000 0.33394326722145 0.61463995799644 78.960 > 81 114 Se 0.50000000000000 0.33394326722145 0.61463995799644 78.960 > 81 115 Se 0.00000000000000 0.83394326722145 0.61463995799644 78.960 > 81 116 Se 0.50000000000000 0.83394326722145 0.61463995799644 78.960 > 81 117 Se 0.25000000000000 0.16605673277855 0.88536004200356 78.960 > 85 118 Se 0.75000000000000 0.16605673277855 0.88536004200356 78.960 > 85 119 Se 0.25000000000000 0.66605673277855 0.88536004200356 78.960 > 85 120 Se 0.75000000000000 0.66605673277855 0.88536004200356 78.960 > 85 121 Se 0.25000000000000 0.33394326722145 0.88536004200356 78.960 > 89 122 Se 0.75000000000000 0.33394326722145 0.88536004200356 78.960 > 89 123 Se 0.25000000000000 0.83394326722145 0.88536004200356 78.960 > 89 124 Se 0.75000000000000 0.83394326722145 0.88536004200356 78.960 > 89 125 Se 0.00000000000000 0.16605673277855 0.61463995799644 78.960 > 93 126 Se 0.50000000000000 0.16605673277855 0.61463995799644 78.960 > 93 127 Se 0.00000000000000 0.66605673277855 0.61463995799644 78.960 > 93 128 Se 0.50000000000000 0.66605673277855 0.61463995799644 78.960 > 93 129 Se 0.00000000000000 0.08394326722145 0.11463995799644 78.960 > 81 130 Se 0.50000000000000 0.08394326722145 0.11463995799644 78.960 > 81 131 Se 0.00000000000000 0.58394326722145 0.11463995799644 78.960 > 81 132 Se 0.50000000000000 0.58394326722145 0.11463995799644 78.960 > 81 133 Se 0.25000000000000 0.41605673277855 0.38536004200356 78.960 > 85 134 Se 0.75000000000000 0.41605673277855 0.38536004200356 78.960 > 85 135 Se 0.25000000000000 0.91605673277855 0.38536004200356 78.960 > 85 136 Se 0.75000000000000 0.91605673277855 0.38536004200356 78.960 > 85 137 Se 0.25000000000000 0.08394326722145 0.38536004200356 78.960 > 89 138 Se 0.75000000000000 0.08394326722145 0.38536004200356 78.960 > 89 139 Se 0.25000000000000 0.58394326722145 0.38536004200356 78.960 > 89 140 Se 0.75000000000000 0.58394326722145 0.38536004200356 78.960 > 89 141 Se 0.00000000000000 0.41605673277855 0.11463995799644 78.960 > 93 142 Se 0.50000000000000 0.41605673277855 0.11463995799644 78.960 > 93 143 Se 0.00000000000000 0.91605673277855 0.11463995799644 78.960 > 93 144 Se 0.50000000000000 0.91605673277855 0.11463995799644 78.960 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.2954835 0.0000000 0.0000000 0.0000000 8.5692653 0.0000000 0.0000000 0.0000000 5.7581780 -------------------------- Born effective charges -------------------------- 1 Cs 1.4849714 0.0000000 0.0000000 0.0000000 1.6949743 0.0000000 0.0000000 0.0000000 1.3630456 2 Cs 1.4849714 0.0000000 0.0000000 0.0000000 1.6949743 0.0000000 0.0000000 0.0000000 1.3630456 3 Pd -0.4292071 0.0000000 0.0000000 0.0000000 0.7716632 0.0000000 0.0000000 0.0000000 0.4003483 4 Pd 0.4940728 0.6017256 0.0000000 0.6224080 -0.1390352 0.0000000 0.0000000 0.0000000 0.4070289 5 Pd 0.4940728 -0.6017256 0.0000000 -0.6224080 -0.1390352 0.0000000 0.0000000 0.0000000 0.4070289 6 Se -0.8822203 0.0000000 0.0000000 0.0000000 -0.9708853 0.1337467 0.0000000 0.0183202 -0.9851243 7 Se -0.8822203 0.0000000 0.0000000 0.0000000 -0.9708853 0.1337467 0.0000000 0.0183202 -0.9851243 8 Se -0.8822203 0.0000000 0.0000000 0.0000000 -0.9708853 -0.1337467 0.0000000 -0.0183202 -0.9851243 9 Se -0.8822203 0.0000000 0.0000000 0.0000000 -0.9708853 -0.1337467 0.0000000 -0.0183202 -0.9851243 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 299, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 6.206 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 7.136 ( 0.000 0.000 0.000) 0.000 7.196 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.189 ( -5.969 6.118 7.632) 11.459 0.266 ( -11.293 7.931 3.053) 14.133 0.510 ( -22.435 14.841 2.933) 27.059 1.439 ( 3.671 -4.822 3.778) 7.142 1.510 ( 2.589 2.803 1.485) 4.094 1.703 ( -1.424 -0.949 -5.669) 5.922 1.780 ( 0.625 -0.852 2.823) 3.015 1.855 ( -4.449 -8.159 0.711) 9.321 2.078 ( 6.548 8.936 -3.687) 11.676 2.440 ( -1.144 0.314 -0.010) 1.186 2.545 ( 3.263 -3.953 0.494) 5.149 2.617 ( 4.327 0.138 -0.079) 4.330 3.271 ( 2.276 -2.952 0.054) 3.727 3.296 ( 2.226 -0.070 0.035) 2.227 3.598 ( 5.423 -1.322 0.242) 5.587 4.501 ( -0.820 0.359 0.005) 0.895 4.533 ( -4.265 2.062 0.275) 4.745 5.136 ( -2.997 0.023 -0.058) 2.997 5.172 ( -4.278 3.834 -0.081) 5.745 5.462 ( 1.394 -0.260 -0.019) 1.418 6.222 ( -1.576 0.043 0.034) 1.577 6.236 ( -1.243 1.098 0.098) 1.661 6.494 ( 3.203 -1.989 -0.192) 3.775 6.641 ( 1.175 -0.780 2.389) 2.774 7.148 ( 0.796 1.918 0.012) 2.077 7.265 ( -3.286 -0.008 -1.339) 3.549 7.673 ( 0.712 -0.213 0.181) 0.765 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -9.802 7.292 4.402) 12.986 0.537 ( -11.535 8.141 2.975) 14.428 0.991 ( -20.448 13.476 1.181) 24.518 1.373 ( 2.749 -2.636 3.837) 5.406 1.508 ( 0.778 0.894 0.376) 1.244 1.644 ( 1.631 -1.241 -5.832) 6.182 1.794 ( 0.036 -0.684 2.522) 2.614 1.836 ( 0.506 -3.829 0.058) 3.863 2.013 ( 4.493 1.488 -3.341) 5.793 2.394 ( 9.371 -7.460 0.380) 11.984 2.473 ( -2.483 1.046 0.016) 2.695 2.556 ( 4.321 0.725 0.311) 4.392 3.179 ( 4.268 -5.875 0.072) 7.262 3.223 ( 7.777 -0.938 0.052) 7.833 3.500 ( 4.856 -0.786 0.389) 4.934 4.522 ( -1.059 0.984 -0.002) 1.446 4.652 ( -7.391 3.156 0.249) 8.040 5.185 ( -2.955 0.885 -0.093) 3.086 5.317 ( -8.399 5.123 -0.091) 9.839 5.426 ( 2.508 -0.855 -0.012) 2.650 6.246 ( -1.411 0.127 0.123) 1.422 6.287 ( -3.085 1.851 0.141) 3.600 6.401 ( 5.331 -3.217 -0.300) 6.233 6.628 ( 1.250 -0.867 1.293) 1.997 7.154 ( 0.327 1.133 0.114) 1.185 7.318 ( -3.650 1.163 -1.007) 3.961 7.656 ( 1.245 -0.443 0.440) 1.393 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -13.514 8.293 1.327) 15.911 0.810 ( -11.482 8.034 2.724) 14.276 1.271 ( -2.600 2.361 -0.997) 3.651 1.478 ( -9.134 4.911 3.780) 11.038 1.513 ( -2.414 1.371 1.338) 3.081 1.568 ( 0.096 -0.087 -5.194) 5.196 1.765 ( 4.120 -3.355 -1.159) 5.438 1.795 ( 1.164 -1.171 2.690) 3.156 1.938 ( 1.698 -0.156 -3.094) 3.533 2.148 ( 13.058 -8.256 0.729) 15.466 2.498 ( 3.885 0.118 0.434) 3.911 2.537 ( -3.993 2.011 0.031) 4.471 3.021 ( 9.647 -8.925 0.071) 13.143 3.056 ( 9.705 -0.944 0.035) 9.751 3.455 ( 1.493 0.216 0.306) 1.539 4.549 ( -1.104 1.045 -0.020) 1.520 4.808 ( -8.241 3.768 0.017) 9.061 5.238 ( -2.641 1.058 -0.078) 2.846 5.368 ( 3.447 -1.731 0.054) 3.858 5.504 ( -9.371 5.256 -0.055) 10.745 6.269 ( -0.847 0.068 0.093) 0.855 6.274 ( 6.072 -3.598 -0.302) 7.064 6.358 ( -3.496 2.118 0.235) 4.095 6.604 ( 1.613 -1.124 0.759) 2.107 7.159 ( 0.161 0.709 0.110) 0.735 7.377 ( -3.257 1.413 -1.113) 3.721 7.634 ( 1.463 -0.586 0.715) 1.730 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -13.877 8.030 -0.283) 16.035 1.067 ( -10.463 6.842 1.993) 12.659 1.293 ( -0.123 0.557 1.108) 1.247 1.476 ( 1.518 -0.813 -2.536) 3.066 1.510 ( 0.160 -1.395 0.487) 1.486 1.631 ( 6.330 -3.385 -1.893) 7.424 1.720 ( -2.646 1.098 -2.044) 3.519 1.770 ( 2.943 -1.381 1.786) 3.709 1.864 ( 10.622 -6.340 1.015) 12.412 2.037 ( -11.254 6.094 0.895) 12.830 2.450 ( 2.457 -0.118 0.307) 2.479 2.632 ( -5.176 2.741 0.062) 5.857 2.755 ( 14.014 -6.810 -0.204) 15.582 2.905 ( 7.281 -3.872 -0.001) 8.247 3.447 ( 0.364 0.263 0.160) 0.477 4.571 ( -0.718 0.655 -0.020) 0.972 4.961 ( -6.885 3.489 -0.166) 7.721 5.276 ( -0.675 0.200 -0.067) 0.708 5.294 ( 3.114 -1.848 0.167) 3.624 5.687 ( -8.129 4.378 0.023) 9.233 6.136 ( 6.447 -3.539 -0.278) 7.360 6.288 ( -0.745 0.127 0.079) 0.760 6.431 ( -3.060 1.967 0.243) 3.646 6.569 ( 1.937 -1.342 0.296) 2.376 7.163 ( 0.073 0.344 0.058) 0.357 7.423 ( -2.052 1.008 -0.926) 2.467 7.614 ( 1.122 -0.494 0.694) 1.409 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -0.000 0.000 0.000) 0.000 1.232 ( -0.000 0.000 0.000) 0.000 1.290 ( 0.000 0.000 0.000) 0.000 1.451 ( -0.000 0.000 0.000) 0.000 1.495 ( 0.000 -0.000 0.000) 0.000 1.537 ( -0.000 0.000 0.000) 0.000 1.638 ( -0.000 -0.000 0.000) 0.000 1.756 ( -0.000 0.000 0.000) 0.000 1.779 ( -0.000 0.000 0.000) 0.000 2.253 ( -0.000 0.000 0.000) 0.000 2.427 ( 0.000 -0.000 0.000) 0.000 2.539 ( 0.000 -0.000 0.000) 0.000 2.741 ( -0.000 0.000 0.000) 0.000 2.780 ( 0.000 -0.000 0.000) 0.000 3.446 ( -0.000 0.000 0.000) 0.000 4.580 ( -0.000 -0.000 0.000) 0.000 5.046 ( -0.000 0.000 0.000) 0.000 5.234 ( -0.000 -0.000 0.000) 0.000 5.295 ( -0.000 0.000 0.000) 0.000 5.791 ( -0.000 0.000 0.000) 0.000 6.048 ( -0.000 0.000 0.000) 0.000 6.295 ( -0.000 -0.000 0.000) 0.000 6.475 ( 0.000 -0.000 0.000) 0.000 6.538 ( -0.000 0.000 0.000) 0.000 7.164 ( -0.000 0.000 0.000) 0.000 7.441 ( -0.000 0.000 0.000) 0.000 7.605 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.137 ( 0.000 0.000 9.418) 9.418 0.153 ( 0.000 0.000 10.417) 10.417 0.273 ( 0.000 0.000 18.777) 18.777 1.486 ( 0.000 0.000 0.657) 0.657 1.636 ( -0.000 -0.000 -5.860) 5.860 1.749 ( -0.000 -0.000 -4.519) 4.519 1.793 ( 0.000 0.000 4.462) 4.462 1.858 ( 0.000 0.000 1.147) 1.147 1.955 ( -0.000 -0.000 -1.191) 1.191 2.429 ( 0.000 0.000 0.021) 0.021 2.592 ( 0.000 0.000 0.740) 0.740 2.655 ( -0.000 -0.000 -0.431) 0.431 3.299 ( 0.000 0.000 0.113) 0.113 3.316 ( 0.000 0.000 0.088) 0.088 3.653 ( 0.000 0.000 0.489) 0.489 4.485 ( -0.000 -0.000 -0.028) 0.028 4.496 ( 0.000 0.000 0.029) 0.029 5.099 ( -0.000 -0.000 -0.042) 0.042 5.130 ( -0.000 -0.000 -0.187) 0.187 5.473 ( -0.000 -0.000 -0.043) 0.043 6.207 ( 0.000 0.000 0.018) 0.018 6.225 ( 0.000 0.000 0.218) 0.218 6.527 ( -0.000 -0.000 -0.362) 0.362 6.735 ( 0.000 0.000 0.147) 0.147 7.137 ( 0.000 0.000 0.189) 0.189 7.197 ( 0.000 0.000 0.157) 0.157 7.681 ( 0.000 0.000 0.321) 0.321 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( -5.496 3.390 9.343) 11.358 0.341 ( -8.181 4.711 7.621) 12.133 0.589 ( -16.961 12.522 7.713) 22.450 1.483 ( 1.473 -2.421 1.809) 3.362 1.549 ( 7.112 -0.460 2.365) 7.509 1.616 ( -0.347 -1.605 -5.796) 6.024 1.797 ( -0.527 -0.301 0.097) 0.615 1.875 ( -1.965 -5.375 1.662) 5.959 2.007 ( 2.353 6.336 -5.164) 8.506 2.440 ( -1.120 0.405 0.011) 1.191 2.555 ( 3.697 -4.372 0.868) 5.791 2.615 ( 3.826 0.359 -0.229) 3.849 3.273 ( 2.300 -2.952 0.140) 3.745 3.297 ( 2.242 -0.089 0.090) 2.245 3.605 ( 5.347 -1.477 0.649) 5.585 4.501 ( -0.843 0.322 0.012) 0.902 4.536 ( -4.390 2.183 0.133) 4.904 5.135 ( -2.959 -0.016 -0.128) 2.962 5.170 ( -4.334 3.868 -0.169) 5.811 5.461 ( 1.394 -0.239 -0.049) 1.415 6.223 ( -1.673 0.073 0.080) 1.677 6.238 ( -1.155 1.076 0.257) 1.600 6.489 ( 3.179 -1.981 -0.460) 3.774 6.681 ( 2.730 -1.675 2.521) 4.076 7.148 ( 0.471 1.672 0.098) 1.739 7.243 ( -3.789 0.592 -1.330) 4.059 7.678 ( 0.615 -0.271 0.490) 0.832 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -6.455 3.682 7.092) 10.272 0.592 ( -10.798 6.849 4.500) 13.556 1.012 ( -16.998 12.064 1.437) 20.894 1.434 ( 1.606 -1.757 3.936) 4.600 1.514 ( 1.229 0.484 0.227) 1.340 1.562 ( 1.193 -0.362 -4.840) 4.998 1.803 ( -0.633 -1.220 -0.734) 1.558 1.850 ( 1.739 -2.342 1.387) 3.230 1.955 ( 3.222 0.638 -4.253) 5.374 2.400 ( 9.314 -7.474 0.403) 11.949 2.473 ( -2.456 1.101 0.028) 2.692 2.561 ( 3.831 0.203 0.401) 3.858 3.180 ( 4.335 -5.822 0.113) 7.259 3.224 ( 7.701 -1.036 0.090) 7.771 3.508 ( 4.855 -1.114 0.628) 5.021 4.522 ( -1.059 0.952 -0.003) 1.424 4.655 ( -7.299 3.117 0.101) 7.937 5.183 ( -2.953 0.963 -0.141) 3.110 5.315 ( -8.445 5.112 -0.113) 9.872 5.426 ( 2.490 -0.808 -0.019) 2.617 6.248 ( -1.412 0.107 0.197) 1.429 6.289 ( -3.083 1.900 0.225) 3.629 6.395 ( 5.285 -3.195 -0.467) 6.193 6.650 ( 1.934 -1.219 1.575) 2.776 7.156 ( 0.279 1.025 0.177) 1.077 7.301 ( -3.707 1.285 -1.290) 4.130 7.665 ( 1.043 -0.579 0.721) 1.394 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -11.693 5.615 2.372) 13.187 0.854 ( -11.060 7.016 3.269) 13.499 1.260 ( -4.236 4.217 -0.440) 5.993 1.481 ( 0.402 -0.405 -4.935) 4.968 1.513 ( -1.439 0.997 -0.156) 1.757 1.561 ( -6.726 4.344 4.444) 9.158 1.743 ( 4.434 -3.351 -1.725) 5.819 1.832 ( 1.197 -1.460 2.260) 2.945 1.893 ( -0.497 0.762 -2.805) 2.949 2.157 ( 12.620 -8.496 0.486) 15.221 2.504 ( 3.495 -0.635 0.366) 3.571 2.538 ( -3.952 2.079 0.039) 4.466 3.022 ( 9.582 -9.229 0.099) 13.304 3.056 ( 9.811 -0.861 0.043) 9.849 3.460 ( 1.500 -0.144 0.375) 1.552 4.549 ( -1.107 1.024 -0.021) 1.508 4.807 ( -8.111 3.714 -0.108) 8.921 5.237 ( -2.617 1.177 -0.076) 2.871 5.369 ( 3.401 -1.660 0.056) 3.785 5.503 ( -9.428 5.271 -0.050) 10.802 6.268 ( 5.732 -3.192 -0.351) 6.570 6.272 ( -0.488 -0.272 0.099) 0.568 6.362 ( -3.508 2.144 0.280) 4.121 6.616 ( 2.070 -1.354 0.848) 2.615 7.161 ( 0.143 0.574 0.127) 0.605 7.359 ( -3.310 1.508 -1.311) 3.866 7.646 ( 1.258 -0.850 0.894) 1.762 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -14.022 6.411 0.118) 15.419 1.096 ( -9.711 5.724 1.927) 11.436 1.304 ( 0.623 1.242 0.208) 1.405 1.447 ( -0.311 -0.110 -1.333) 1.373 1.518 ( -0.216 -0.191 0.529) 0.603 1.605 ( 6.482 -3.446 -1.739) 7.544 1.690 ( -1.341 0.318 -2.023) 2.448 1.787 ( 2.747 -1.153 0.686) 3.058 1.876 ( 10.894 -7.156 0.588) 13.048 2.056 ( -12.191 6.166 1.716) 13.769 2.453 ( 2.131 -0.939 0.128) 2.332 2.633 ( -5.196 2.838 0.059) 5.921 2.752 ( 14.146 -7.338 -0.191) 15.937 2.905 ( 7.373 -3.765 0.005) 8.278 3.449 ( 0.329 -0.074 0.156) 0.371 4.571 ( -0.729 0.656 -0.017) 0.981 4.959 ( -6.870 3.502 -0.209) 7.714 5.276 ( -0.817 0.425 0.057) 0.923 5.295 ( 3.302 -1.878 0.051) 3.799 5.688 ( -8.169 4.417 0.032) 9.287 6.131 ( 6.347 -3.450 -0.273) 7.229 6.289 ( -0.648 0.168 0.075) 0.674 6.434 ( -2.972 1.953 0.238) 3.564 6.573 ( 2.246 -1.525 0.287) 2.730 7.163 ( 0.045 0.197 0.055) 0.210 7.409 ( -2.458 1.267 -0.998) 2.940 7.625 ( 1.193 -0.984 0.773) 1.729 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -0.452 -0.996 0.680) 1.288 1.224 ( 0.818 -1.539 -1.019) 2.018 1.283 ( 0.193 0.439 -0.764) 0.902 1.459 ( -0.845 0.369 1.045) 1.393 1.500 ( 2.872 0.593 0.453) 2.967 1.543 ( -2.642 1.152 0.897) 3.018 1.633 ( -2.229 -0.636 -0.616) 2.398 1.746 ( 0.530 0.323 -1.141) 1.299 1.782 ( 0.144 -0.056 0.215) 0.265 2.255 ( 2.069 -1.222 0.266) 2.418 2.427 ( -0.253 -0.806 0.051) 0.847 2.538 ( -1.237 -0.071 -0.110) 1.244 2.741 ( 0.075 0.001 -0.000) 0.075 2.780 ( 0.041 0.223 0.016) 0.227 3.446 ( -0.043 -0.308 -0.004) 0.311 4.580 ( -0.013 0.011 0.002) 0.018 5.046 ( -0.263 0.152 -0.022) 0.305 5.234 ( 0.247 -0.061 0.036) 0.257 5.295 ( 0.056 0.127 -0.026) 0.141 5.791 ( 0.114 -0.019 0.001) 0.116 6.048 ( -0.262 0.170 0.008) 0.312 6.295 ( 0.098 0.048 -0.004) 0.109 6.475 ( 0.297 -0.099 -0.002) 0.313 6.538 ( 0.072 -0.091 -0.002) 0.116 7.164 ( -0.033 -0.140 -0.000) 0.144 7.439 ( -0.816 0.476 -0.189) 0.964 7.606 ( 0.463 -0.708 0.185) 0.866 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 13.861 -9.265 0.730) 16.688 1.041 ( 10.735 -7.816 -1.648) 13.381 1.278 ( 0.208 0.431 -0.920) 1.037 1.498 ( 0.351 1.697 -0.043) 1.733 1.519 ( -2.780 1.190 2.097) 3.680 1.656 ( -5.694 3.415 1.445) 6.795 1.737 ( -2.066 0.870 -2.064) 3.047 1.747 ( 3.929 -1.665 1.131) 4.415 1.850 ( -12.289 6.389 -0.835) 13.876 2.030 ( 10.285 -5.756 -0.154) 11.788 2.446 ( -2.676 -0.551 -0.267) 2.745 2.631 ( 5.148 -2.664 -0.040) 5.797 2.757 ( -13.935 6.361 0.129) 15.319 2.905 ( -7.196 3.970 0.004) 8.219 3.445 ( -0.392 -0.533 -0.100) 0.669 4.572 ( 0.710 -0.653 0.014) 0.965 4.963 ( 6.921 -3.496 0.079) 7.754 5.278 ( 0.987 -0.253 0.156) 1.031 5.291 ( -3.387 2.059 -0.213) 3.970 5.687 ( 8.093 -4.343 -0.009) 9.185 6.139 ( -6.524 3.614 0.174) 7.461 6.287 ( 0.821 -0.095 -0.051) 0.829 6.428 ( 3.132 -1.985 -0.154) 3.711 6.565 ( -1.673 1.192 -0.187) 2.063 7.162 ( -0.094 -0.467 -0.038) 0.477 7.434 ( 1.617 -0.736 0.520) 1.851 7.606 ( -0.973 0.043 -0.373) 1.043 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 14.570 -9.985 -0.305) 17.666 0.781 ( 11.646 -8.718 -1.132) 14.592 1.286 ( -0.411 0.716 0.904) 1.224 1.426 ( 16.513 -10.166 -2.418) 19.541 1.504 ( 0.223 0.501 -0.213) 0.588 1.630 ( -1.510 1.134 2.934) 3.489 1.754 ( -1.380 1.049 -1.898) 2.570 1.780 ( -3.346 3.066 0.364) 4.553 1.972 ( -2.439 0.400 1.413) 2.847 2.138 ( -13.580 8.264 -0.439) 15.903 2.493 ( -4.128 -0.577 -0.200) 4.173 2.537 ( 4.017 -1.969 -0.012) 4.474 3.020 ( -9.687 8.730 -0.025) 13.041 3.056 ( -9.639 0.997 -0.013) 9.690 3.452 ( -1.488 -0.436 -0.117) 1.555 4.549 ( 1.103 -1.057 0.008) 1.528 4.808 ( 8.368 -3.830 -0.035) 9.203 5.239 ( 2.658 -0.994 0.034) 2.838 5.368 ( -3.480 1.782 -0.023) 3.910 5.505 ( 9.333 -5.241 0.025) 10.704 6.268 ( 1.280 -0.189 -0.044) 1.295 6.278 ( -6.499 3.762 0.126) 7.511 6.356 ( 3.491 -2.106 -0.093) 4.078 6.596 ( -1.266 0.948 -0.310) 1.612 7.158 ( -0.172 -0.795 -0.044) 0.815 7.389 ( 3.172 -1.327 0.439) 3.466 7.627 ( -1.582 0.419 -0.271) 1.659 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 11.451 -9.237 -0.000) 14.712 0.515 ( 11.854 -8.719 -0.000) 14.716 0.983 ( 22.061 -13.969 -0.000) 26.112 1.343 ( -2.988 2.675 0.000) 4.011 1.505 ( -0.586 -0.906 -0.000) 1.079 1.704 ( -3.065 2.101 0.000) 3.716 1.756 ( 0.767 0.467 0.000) 0.898 1.838 ( 0.141 3.789 0.000) 3.791 2.039 ( -5.204 -1.688 -0.000) 5.471 2.391 ( -9.404 7.452 0.000) 11.999 2.473 ( 2.495 -1.021 -0.000) 2.696 2.553 ( -4.502 -0.895 -0.000) 4.590 3.178 ( -4.242 5.893 0.000) 7.262 3.223 ( -7.805 0.902 0.000) 7.857 3.497 ( -4.855 0.662 0.000) 4.900 4.522 ( 1.060 -0.997 -0.000) 1.455 4.649 ( 7.480 -3.204 -0.000) 8.137 5.185 ( 2.950 -0.865 -0.000) 3.074 5.318 ( 8.378 -5.122 -0.000) 9.820 5.426 ( -2.515 0.876 0.000) 2.663 6.245 ( 1.412 -0.136 -0.000) 1.419 6.285 ( 3.084 -1.831 -0.000) 3.587 6.403 ( -5.354 3.227 0.000) 6.251 6.618 ( -0.807 0.629 0.000) 1.023 7.153 ( -0.348 -1.176 -0.000) 1.226 7.326 ( 3.518 -1.055 -0.000) 3.673 7.653 ( -1.324 0.392 0.000) 1.381 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( 0.000 0.000 8.563) 8.563 0.293 ( 0.000 0.000 9.090) 9.090 0.530 ( 0.000 0.000 16.903) 16.903 1.500 ( 0.000 0.000 1.187) 1.187 1.551 ( -0.000 -0.000 -5.969) 5.969 1.676 ( -0.000 -0.000 -5.449) 5.449 1.850 ( 0.000 0.000 3.513) 3.513 1.864 ( -0.000 -0.000 -0.319) 0.319 1.931 ( -0.000 -0.000 -2.113) 2.113 2.429 ( 0.000 0.000 0.034) 0.034 2.606 ( 0.000 0.000 1.086) 1.086 2.647 ( -0.000 -0.000 -0.699) 0.699 3.301 ( 0.000 0.000 0.183) 0.183 3.318 ( 0.000 0.000 0.132) 0.132 3.663 ( 0.000 0.000 0.803) 0.803 4.485 ( -0.000 -0.000 -0.045) 0.045 4.496 ( 0.000 0.000 0.048) 0.048 5.099 ( -0.000 -0.000 -0.068) 0.068 5.126 ( -0.000 -0.000 -0.300) 0.300 5.473 ( -0.000 -0.000 -0.062) 0.062 6.207 ( 0.000 0.000 0.029) 0.029 6.229 ( 0.000 0.000 0.351) 0.351 6.520 ( -0.000 -0.000 -0.572) 0.572 6.738 ( 0.000 0.000 0.226) 0.226 7.141 ( 0.000 0.000 0.282) 0.282 7.200 ( 0.000 0.000 0.254) 0.254 7.687 ( 0.000 0.000 0.536) 0.536 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -7.980 3.562 6.482) 10.880 0.475 ( -6.262 4.029 9.013) 11.691 0.712 ( -8.750 7.208 8.730) 14.308 1.495 ( 1.140 -1.463 -1.607) 2.454 1.526 ( -0.320 1.856 -2.172) 2.875 1.575 ( 4.426 -2.665 -1.216) 5.308 1.799 ( 1.022 -0.639 0.268) 1.234 1.890 ( 0.059 -2.077 0.137) 2.082 1.945 ( 0.193 2.202 -3.336) 4.002 2.440 ( -1.091 0.454 0.026) 1.182 2.566 ( 4.303 -4.728 0.575) 6.419 2.612 ( 2.839 0.384 -0.075) 2.866 3.275 ( 2.345 -2.952 0.169) 3.774 3.298 ( 2.257 -0.118 0.109) 2.263 3.615 ( 5.263 -1.712 0.814) 5.594 4.502 ( -0.877 0.262 0.017) 0.916 4.536 ( -4.484 2.288 -0.084) 5.035 5.133 ( -2.825 0.029 -0.154) 2.829 5.167 ( -4.487 3.873 -0.181) 5.930 5.460 ( 1.391 -0.217 -0.055) 1.409 6.225 ( -1.804 0.117 0.088) 1.810 6.243 ( -1.038 1.049 0.324) 1.511 6.482 ( 3.132 -1.967 -0.551) 3.739 6.708 ( 2.336 -1.393 1.334) 3.029 7.150 ( 0.218 1.355 0.168) 1.383 7.230 ( -3.018 0.520 -0.575) 3.117 7.686 ( 0.472 -0.358 0.627) 0.863 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -3.274 0.796 7.642) 8.352 0.658 ( -9.878 5.533 4.444) 12.163 1.023 ( -14.085 10.358 -0.141) 17.484 1.440 ( 1.348 -0.421 -3.479) 3.754 1.518 ( 1.181 -0.486 0.929) 1.579 1.545 ( -0.101 1.315 2.312) 2.662 1.789 ( 0.029 -1.265 -1.011) 1.619 1.855 ( 1.641 -0.369 -1.180) 2.054 1.907 ( 2.211 -1.220 -1.850) 3.130 2.404 ( 9.242 -7.470 0.215) 11.885 2.474 ( -2.429 1.156 0.029) 2.690 2.566 ( 3.274 -0.572 0.317) 3.339 3.182 ( 4.421 -5.744 0.109) 7.249 3.225 ( 7.601 -1.164 0.098) 7.690 3.517 ( 4.853 -1.525 0.625) 5.125 4.522 ( -1.060 0.911 -0.001) 1.398 4.654 ( -7.286 3.127 -0.117) 7.930 5.181 ( -2.935 1.093 -0.132) 3.135 5.314 ( -8.499 5.086 -0.088) 9.905 5.426 ( 2.465 -0.764 -0.019) 2.581 6.251 ( -1.420 0.087 0.194) 1.435 6.293 ( -3.075 1.958 0.224) 3.652 6.388 ( 5.240 -3.170 -0.455) 6.141 6.670 ( 2.272 -1.370 1.181) 2.904 7.158 ( 0.228 0.899 0.165) 0.942 7.284 ( -3.465 1.265 -1.026) 3.829 7.676 ( 0.800 -0.751 0.732) 1.319 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -9.585 2.872 2.430) 10.296 0.898 ( -10.549 6.187 2.756) 12.536 1.259 ( -5.828 5.298 0.297) 7.882 1.403 ( -0.807 0.925 -5.304) 5.444 1.517 ( 0.360 0.689 0.348) 0.852 1.618 ( -3.455 2.609 3.255) 5.416 1.719 ( 4.707 -3.484 -1.530) 6.053 1.842 ( 2.742 -1.277 -1.129) 3.228 1.878 ( -5.038 1.872 1.001) 5.467 2.161 ( 12.359 -8.893 0.189) 15.227 2.508 ( 3.139 -1.410 0.167) 3.445 2.538 ( -3.924 2.138 0.029) 4.469 3.023 ( 9.512 -9.520 0.090) 13.458 3.057 ( 9.919 -0.779 0.036) 9.949 3.465 ( 1.504 -0.509 0.301) 1.616 4.548 ( -1.110 1.003 -0.015) 1.497 4.805 ( -8.044 3.702 -0.173) 8.857 5.236 ( -2.598 1.315 -0.046) 2.912 5.370 ( 3.363 -1.604 0.037) 3.726 5.503 ( -9.483 5.278 -0.027) 10.853 6.263 ( 6.342 -3.582 -0.318) 7.291 6.274 ( -1.073 0.180 0.118) 1.094 6.366 ( -3.518 2.174 0.221) 4.141 6.627 ( 2.427 -1.533 0.626) 2.938 7.162 ( 0.123 0.444 0.097) 0.471 7.342 ( -3.281 1.559 -1.017) 3.772 7.658 ( 1.044 -1.110 0.729) 1.689 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -14.110 5.004 0.198) 14.972 1.120 ( -8.833 4.948 1.305) 10.208 1.299 ( 1.710 0.749 -0.615) 1.966 1.439 ( -3.322 1.936 0.055) 3.845 1.523 ( 0.119 1.192 0.107) 1.202 1.585 ( 5.859 -3.919 -0.947) 7.113 1.666 ( 0.041 -0.555 -1.306) 1.420 1.792 ( 1.884 -0.615 0.182) 1.990 1.880 ( 11.942 -8.050 0.121) 14.402 2.080 ( -12.506 5.923 1.408) 13.909 2.454 ( 1.839 -1.631 -0.030) 2.458 2.634 ( -5.202 2.917 0.036) 5.964 2.750 ( 14.277 -7.737 -0.108) 16.239 2.905 ( 7.436 -3.689 0.005) 8.300 3.451 ( 0.300 -0.348 0.094) 0.469 4.571 ( -0.738 0.657 -0.009) 0.988 4.956 ( -6.877 3.528 -0.150) 7.731 5.278 ( -1.202 0.773 0.093) 1.432 5.295 ( 3.724 -2.070 -0.023) 4.261 5.688 ( -8.199 4.446 0.024) 9.327 6.128 ( 6.263 -3.380 -0.167) 7.119 6.290 ( -0.566 0.204 0.045) 0.604 6.437 ( -2.902 1.946 0.145) 3.497 6.577 ( 2.482 -1.670 0.173) 2.997 7.164 ( 0.021 0.082 0.033) 0.090 7.397 ( -2.705 1.424 -0.642) 3.124 7.634 ( 1.183 -1.336 0.505) 1.855 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -1.340 -1.385 1.055) 2.197 1.207 ( 1.579 -2.545 -1.226) 3.236 1.273 ( 0.632 0.557 -0.447) 0.954 1.474 ( -1.409 0.896 0.812) 1.857 1.503 ( 4.163 0.839 -0.087) 4.248 1.558 ( -3.830 1.921 0.886) 4.376 1.624 ( -3.646 -1.032 -0.482) 3.820 1.731 ( 1.145 -0.181 -0.724) 1.367 1.784 ( 0.114 0.345 0.059) 0.369 2.258 ( 3.382 -1.961 0.165) 3.913 2.428 ( -0.444 -1.313 0.032) 1.386 2.536 ( -2.014 -0.103 -0.069) 2.018 2.741 ( 0.120 0.002 -0.000) 0.121 2.780 ( 0.065 0.360 0.010) 0.366 3.446 ( -0.069 -0.499 -0.002) 0.503 4.580 ( -0.022 0.018 0.001) 0.028 5.046 ( -0.424 0.246 -0.014) 0.491 5.234 ( 0.401 -0.101 0.022) 0.414 5.295 ( 0.089 0.207 -0.016) 0.226 5.791 ( 0.184 -0.030 0.001) 0.187 6.048 ( -0.423 0.274 0.005) 0.504 6.295 ( 0.159 0.077 -0.002) 0.177 6.475 ( 0.481 -0.162 -0.001) 0.507 6.538 ( 0.117 -0.147 -0.001) 0.188 7.164 ( -0.053 -0.227 -0.000) 0.233 7.437 ( -1.291 0.741 -0.114) 1.493 7.609 ( 0.720 -1.117 0.111) 1.334 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 14.397 -9.914 -0.000) 17.480 1.026 ( 10.250 -8.012 -0.000) 13.010 1.271 ( 0.180 0.839 0.000) 0.858 1.496 ( 0.332 2.059 0.000) 2.086 1.538 ( -2.920 1.072 0.000) 3.110 1.668 ( -5.243 3.397 0.000) 6.247 1.716 ( -2.094 0.713 0.000) 2.212 1.757 ( 5.435 -2.323 -0.000) 5.911 1.843 ( -13.839 6.803 0.000) 15.420 2.029 ( 9.933 -5.596 -0.000) 11.401 2.443 ( -2.747 -0.812 -0.000) 2.864 2.631 ( 5.134 -2.636 -0.000) 5.772 2.758 ( -13.912 6.185 0.000) 15.225 2.905 ( -7.161 4.010 0.000) 8.207 3.444 ( -0.402 -0.636 -0.000) 0.752 4.572 ( 0.706 -0.652 -0.000) 0.961 4.964 ( 6.941 -3.503 -0.000) 7.775 5.280 ( 1.609 -0.536 -0.000) 1.695 5.289 ( -3.993 2.403 0.000) 4.661 5.687 ( 8.078 -4.328 -0.000) 9.165 6.140 ( -6.553 3.644 0.000) 7.498 6.287 ( 0.850 -0.084 -0.000) 0.854 6.427 ( 3.159 -1.993 -0.000) 3.735 6.564 ( -1.568 1.133 0.000) 1.935 7.162 ( -0.101 -0.514 -0.000) 0.524 7.437 ( 1.419 -0.616 -0.000) 1.547 7.603 ( -0.889 -0.143 -0.000) 0.900 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 0.000 0.000 6.862) 6.862 0.408 ( 0.000 0.000 6.828) 6.828 0.748 ( 0.000 0.000 13.369) 13.369 1.470 ( -0.000 -0.000 -5.164) 5.164 1.519 ( 0.000 0.000 1.416) 1.416 1.602 ( -0.000 -0.000 -4.708) 4.708 1.850 ( -0.000 -0.000 -1.623) 1.623 1.892 ( 0.000 0.000 2.391) 2.391 1.898 ( -0.000 -0.000 -2.423) 2.423 2.430 ( 0.000 0.000 0.033) 0.033 2.621 ( 0.000 0.000 0.986) 0.986 2.636 ( -0.000 -0.000 -0.701) 0.701 3.304 ( 0.000 0.000 0.184) 0.184 3.320 ( 0.000 0.000 0.120) 0.120 3.675 ( 0.000 0.000 0.816) 0.816 4.484 ( -0.000 -0.000 -0.045) 0.045 4.497 ( 0.000 0.000 0.048) 0.048 5.098 ( -0.000 -0.000 -0.068) 0.068 5.122 ( -0.000 -0.000 -0.297) 0.297 5.472 ( -0.000 -0.000 -0.054) 0.054 6.207 ( 0.000 0.000 0.028) 0.028 6.235 ( 0.000 0.000 0.348) 0.348 6.512 ( -0.000 -0.000 -0.558) 0.558 6.741 ( 0.000 0.000 0.214) 0.214 7.145 ( 0.000 0.000 0.254) 0.254 7.204 ( 0.000 0.000 0.253) 0.253 7.695 ( 0.000 0.000 0.557) 0.557 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -7.195 2.666 4.769) 9.035 0.588 ( -9.231 7.083 6.626) 13.390 0.819 ( -0.827 1.137 5.782) 5.951 1.440 ( 0.166 -0.738 -3.899) 3.972 1.535 ( 0.595 2.285 1.260) 2.676 1.553 ( 0.862 -1.070 -1.422) 1.977 1.800 ( 1.771 -0.968 -0.363) 2.051 1.872 ( 1.499 0.108 -2.210) 2.673 1.922 ( -0.625 -0.733 -0.214) 0.986 2.440 ( -1.072 0.480 0.023) 1.175 2.571 ( 4.900 -4.431 0.068) 6.606 2.613 ( 1.871 -0.310 0.213) 1.909 3.277 ( 2.397 -2.950 0.133) 3.803 3.300 ( 2.259 -0.146 0.087) 2.265 3.626 ( 5.194 -1.947 0.664) 5.587 4.502 ( -0.915 0.205 0.015) 0.938 4.535 ( -4.416 2.290 -0.123) 4.976 5.131 ( -2.674 0.132 -0.129) 2.681 5.165 ( -4.666 3.848 -0.134) 6.050 5.460 ( 1.387 -0.203 -0.039) 1.403 6.226 ( -1.912 0.155 0.066) 1.919 6.247 ( -0.943 1.029 0.266) 1.421 6.474 ( 3.084 -1.948 -0.438) 3.674 6.722 ( 1.817 -1.055 0.644) 2.197 7.153 ( 0.092 1.118 0.142) 1.130 7.225 ( -2.276 0.378 -0.205) 2.316 7.694 ( 0.335 -0.444 0.522) 0.763 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -4.988 2.033 4.518) 7.030 0.716 ( -4.284 1.139 4.167) 6.084 1.007 ( -13.656 9.804 -1.849) 16.912 1.388 ( 2.022 -0.512 -2.904) 3.575 1.525 ( 0.896 0.396 0.222) 1.004 1.591 ( -1.560 2.234 3.099) 4.127 1.776 ( 0.607 -1.111 -0.756) 1.474 1.826 ( 1.374 -0.255 -2.079) 2.505 1.898 ( 1.696 -1.529 -0.091) 2.285 2.406 ( 9.161 -7.461 0.063) 11.814 2.474 ( -2.411 1.197 0.018) 2.692 2.570 ( 2.883 -1.285 0.162) 3.160 3.183 ( 4.493 -5.672 0.065) 7.236 3.227 ( 7.514 -1.274 0.065) 7.621 3.524 ( 4.850 -1.861 0.385) 5.209 4.522 ( -1.062 0.878 0.001) 1.378 4.652 ( -7.284 3.140 -0.141) 7.933 5.179 ( -2.915 1.217 -0.078) 3.160 5.313 ( -8.545 5.062 -0.046) 9.932 5.425 ( 2.444 -0.739 -0.012) 2.553 6.254 ( -1.432 0.073 0.119) 1.439 6.295 ( -3.061 2.003 0.139) 3.661 6.383 ( 5.208 -3.149 -0.278) 6.093 6.682 ( 2.350 -1.386 0.601) 2.794 7.160 ( 0.189 0.801 0.096) 0.829 7.272 ( -3.148 1.186 -0.546) 3.408 7.685 ( 0.608 -0.893 0.458) 1.173 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -8.047 1.053 1.058) 8.184 0.927 ( -10.212 5.829 1.102) 11.810 1.270 ( -8.979 6.550 1.122) 11.171 1.339 ( 0.883 0.688 -3.141) 3.335 1.521 ( 0.799 1.091 0.127) 1.358 1.650 ( -1.009 1.274 1.170) 2.003 1.703 ( 4.806 -3.619 -0.623) 6.048 1.827 ( 1.073 -0.034 -0.645) 1.253 1.893 ( -5.549 1.819 0.695) 5.881 2.163 ( 12.253 -9.222 0.031) 15.336 2.509 ( 2.952 -1.908 0.034) 3.515 2.538 ( -3.926 2.169 0.009) 4.485 3.024 ( 9.465 -9.694 0.037) 13.549 3.057 ( 9.988 -0.728 0.014) 10.015 3.468 ( 1.505 -0.738 0.114) 1.680 4.548 ( -1.113 0.990 -0.005) 1.489 4.803 ( -8.025 3.708 -0.084) 8.841 5.235 ( -2.588 1.409 -0.014) 2.947 5.370 ( 3.342 -1.576 0.013) 3.695 5.503 ( -9.516 5.280 -0.008) 10.882 6.260 ( 6.355 -3.605 -0.122) 7.308 6.275 ( -1.069 0.241 0.046) 1.096 6.368 ( -3.523 2.194 0.083) 4.151 6.633 ( 2.609 -1.624 0.227) 3.081 7.163 ( 0.110 0.367 0.035) 0.385 7.332 ( -3.231 1.573 -0.380) 3.614 7.666 ( 0.910 -1.269 0.280) 1.586 ======================= Grid point 38 (27/171) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -14.135 4.446 0.000) 14.817 1.129 ( -8.418 4.711 0.000) 9.646 1.294 ( 2.043 0.276 -0.000) 2.062 1.441 ( -4.764 3.222 0.000) 5.751 1.523 ( 0.661 1.712 0.000) 1.835 1.578 ( 5.226 -4.220 -0.000) 6.717 1.656 ( 0.753 -0.979 -0.000) 1.235 1.794 ( 1.434 -0.350 -0.000) 1.476 1.881 ( 12.454 -8.439 -0.000) 15.044 2.091 ( -12.532 5.792 0.000) 13.806 2.453 ( 1.725 -1.911 -0.000) 2.575 2.634 ( -5.202 2.947 0.000) 5.979 2.749 ( 14.331 -7.882 -0.000) 16.356 2.905 ( 7.457 -3.663 -0.000) 8.308 3.451 ( 0.289 -0.453 -0.000) 0.537 4.571 ( -0.742 0.657 0.000) 0.991 4.955 ( -6.884 3.541 0.000) 7.742 5.278 ( -1.458 0.975 0.000) 1.754 5.295 ( 3.994 -2.212 -0.000) 4.566 5.688 ( -8.209 4.456 0.000) 9.341 6.127 ( 6.230 -3.354 -0.000) 7.076 6.290 ( -0.534 0.219 0.000) 0.577 6.438 ( -2.875 1.944 0.000) 3.471 6.578 ( 2.570 -1.724 -0.000) 3.095 7.164 ( 0.011 0.038 0.000) 0.040 7.392 ( -2.785 1.474 0.000) 3.151 7.638 ( 1.168 -1.462 -0.000) 1.871 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 0.000 0.000 3.976) 3.976 0.484 ( 0.000 0.000 3.693) 3.693 0.901 ( 0.000 0.000 7.647) 7.647 1.409 ( -0.000 -0.000 -3.139) 3.139 1.537 ( 0.000 0.000 1.060) 1.060 1.549 ( -0.000 -0.000 -2.573) 2.573 1.824 ( -0.000 -0.000 -1.732) 1.732 1.867 ( -0.000 -0.000 -1.726) 1.726 1.918 ( 0.000 0.000 1.207) 1.207 2.430 ( 0.000 0.000 0.020) 0.020 2.628 ( -0.000 -0.000 -0.434) 0.434 2.632 ( 0.000 0.000 0.573) 0.573 3.306 ( 0.000 0.000 0.114) 0.114 3.321 ( 0.000 0.000 0.069) 0.069 3.685 ( 0.000 0.000 0.511) 0.511 4.483 ( -0.000 -0.000 -0.028) 0.028 4.498 ( 0.000 0.000 0.030) 0.030 5.097 ( -0.000 -0.000 -0.042) 0.042 5.119 ( -0.000 -0.000 -0.182) 0.182 5.471 ( -0.000 -0.000 -0.029) 0.029 6.208 ( 0.000 0.000 0.017) 0.017 6.239 ( 0.000 0.000 0.214) 0.214 6.505 ( -0.000 -0.000 -0.339) 0.339 6.744 ( 0.000 0.000 0.126) 0.126 7.148 ( 0.000 0.000 0.143) 0.143 7.207 ( 0.000 0.000 0.156) 0.156 7.702 ( 0.000 0.000 0.354) 0.354 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -6.717 2.438 1.776) 7.363 0.656 ( -12.234 9.713 2.648) 15.844 0.871 ( 5.162 -3.392 1.671) 6.399 1.401 ( -0.118 -0.809 -1.425) 1.643 1.533 ( 0.099 -0.245 -0.522) 0.585 1.557 ( -0.517 3.214 0.779) 3.347 1.792 ( 1.370 -0.974 -0.506) 1.755 1.846 ( 1.319 -0.328 -1.035) 1.708 1.923 ( 0.244 -0.716 0.116) 0.765 2.440 ( -1.063 0.492 0.009) 1.172 2.570 ( 5.061 -3.968 -0.048) 6.431 2.616 ( 1.496 -1.042 0.135) 1.828 3.279 ( 2.433 -2.947 0.050) 3.821 3.301 ( 2.253 -0.164 0.033) 2.259 3.633 ( 5.156 -2.094 0.255) 5.570 4.502 ( -0.941 0.172 0.006) 0.957 4.533 ( -4.329 2.267 -0.053) 4.887 5.129 ( -2.581 0.216 -0.050) 2.591 5.164 ( -4.780 3.821 -0.048) 6.119 5.459 ( 1.384 -0.198 -0.014) 1.399 6.226 ( -1.970 0.175 0.024) 1.978 6.250 ( -0.892 1.020 0.102) 1.359 6.470 ( 3.056 -1.937 -0.166) 3.622 6.727 ( 1.561 -0.892 0.195) 1.808 7.154 ( 0.041 0.996 0.053) 0.998 7.223 ( -1.887 0.305 -0.048) 1.913 7.700 ( 0.253 -0.497 0.203) 0.593 ======================= Grid point 48 (30/171) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -9.326 4.986 0.000) 10.575 0.757 ( 2.669 -3.691 -0.000) 4.555 0.988 ( -14.925 10.507 0.000) 18.252 1.367 ( 2.300 -0.609 -0.000) 2.379 1.527 ( 0.744 0.468 0.000) 0.879 1.616 ( -1.900 2.914 0.000) 3.478 1.770 ( 0.692 -0.980 -0.000) 1.200 1.809 ( 1.246 -0.697 -0.000) 1.428 1.898 ( 1.606 -1.310 -0.000) 2.072 2.407 ( 9.123 -7.458 -0.000) 11.784 2.474 ( -2.405 1.212 0.000) 2.693 2.571 ( 2.747 -1.575 -0.000) 3.167 3.184 ( 4.521 -5.643 -0.000) 7.230 3.227 ( 7.480 -1.317 -0.000) 7.595 3.527 ( 4.849 -1.990 -0.000) 5.242 4.522 ( -1.062 0.866 0.000) 1.370 4.651 ( -7.280 3.144 0.000) 7.929 5.179 ( -2.906 1.269 0.000) 3.171 5.313 ( -8.563 5.052 0.000) 9.943 5.425 ( 2.436 -0.732 -0.000) 2.543 6.254 ( -1.438 0.068 0.000) 1.440 6.296 ( -3.055 2.020 0.000) 3.662 6.381 ( 5.197 -3.140 -0.000) 6.072 6.687 ( 2.354 -1.379 -0.000) 2.729 7.161 ( 0.174 0.765 0.000) 0.785 7.268 ( -3.011 1.148 0.000) 3.223 7.688 ( 0.536 -0.948 -0.000) 1.089 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 0.000 0.000 0.000) 0.000 0.510 ( 0.000 0.000 0.000) 0.000 0.957 ( 0.000 0.000 0.000) 0.000 1.386 ( 0.000 0.000 0.000) 0.000 1.530 ( 0.000 0.000 0.000) 0.000 1.545 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.853 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 6.208 ( 0.000 0.000 0.000) 0.000 6.240 ( 0.000 0.000 0.000) 0.000 6.503 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 7.149 ( 0.000 0.000 0.000) 0.000 7.208 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 108 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( -0.000 12.741 0.000) 12.741 0.251 ( -0.000 13.878 0.000) 13.878 0.538 ( -0.000 29.301 0.000) 29.301 1.400 ( 0.000 -4.856 -0.000) 4.856 1.558 ( -0.000 2.432 0.000) 2.432 1.702 ( 0.000 -0.072 -0.000) 0.072 1.722 ( 0.000 -1.579 -0.000) 1.579 1.788 ( 0.000 -0.167 -0.000) 0.167 2.213 ( 0.000 -3.513 -0.000) 3.513 2.437 ( -0.000 0.946 0.000) 0.946 2.529 ( 0.000 -5.440 -0.000) 5.440 2.637 ( 0.000 -2.201 -0.000) 2.201 3.265 ( 0.000 -3.586 -0.000) 3.586 3.295 ( 0.000 -2.505 -0.000) 2.505 3.625 ( 0.000 -2.674 -0.000) 2.674 4.494 ( -0.000 0.950 0.000) 0.950 4.531 ( -0.000 3.902 0.000) 3.902 5.119 ( -0.000 2.008 0.000) 2.008 5.185 ( -0.000 5.643 0.000) 5.643 5.470 ( 0.000 -0.505 -0.000) 0.505 6.214 ( -0.000 0.806 0.000) 0.806 6.238 ( -0.000 1.566 0.000) 1.566 6.492 ( 0.000 -3.970 -0.000) 3.970 6.630 ( 0.000 -0.636 -0.000) 0.636 7.197 ( -0.000 0.085 0.000) 0.085 7.228 ( -0.000 2.704 0.000) 2.704 7.675 ( 0.000 -0.443 -0.000) 0.443 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( -4.310 13.310 2.272) 14.174 0.452 ( -8.063 11.722 1.502) 14.306 0.899 ( -11.354 24.647 1.439) 27.174 1.355 ( 1.469 -4.039 2.198) 4.827 1.544 ( 2.790 0.804 0.375) 2.927 1.677 ( -0.598 -1.909 -5.412) 5.770 1.753 ( -1.069 -1.708 4.477) 4.909 1.796 ( -1.304 -1.098 -0.187) 1.715 2.114 ( 5.203 -2.827 -2.751) 6.529 2.430 ( 4.910 -8.378 0.176) 9.712 2.459 ( -1.270 1.844 -0.005) 2.240 2.598 ( 1.960 -2.282 -0.088) 3.009 3.182 ( 4.154 -6.831 0.034) 7.995 3.275 ( 0.320 -2.388 0.009) 2.409 3.557 ( 4.757 -2.910 0.079) 5.577 4.518 ( -1.232 1.366 -0.007) 1.840 4.600 ( -3.472 5.226 0.211) 6.278 5.163 ( -2.302 2.518 -0.080) 3.412 5.274 ( -4.002 7.318 -0.025) 8.341 5.450 ( 1.624 -1.087 0.008) 1.955 6.231 ( -0.982 0.938 0.040) 1.358 6.268 ( -1.599 2.399 0.096) 2.885 6.427 ( 2.738 -5.129 -0.175) 5.817 6.624 ( 0.503 -1.098 0.979) 1.555 7.179 ( 1.408 1.212 0.020) 1.858 7.286 ( -3.087 2.422 -0.635) 3.974 7.665 ( 0.707 -0.668 0.112) 0.979 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -8.409 13.414 0.774) 15.851 0.706 ( -10.063 10.206 1.829) 14.449 1.264 ( -5.624 9.241 -1.539) 10.927 1.362 ( -6.492 7.513 5.302) 11.256 1.513 ( 1.574 -0.444 0.379) 1.679 1.615 ( 1.369 -2.003 -4.529) 5.138 1.770 ( 0.196 -2.099 3.007) 3.672 1.786 ( 0.800 -1.909 -0.704) 2.186 1.988 ( 4.056 -3.610 -2.992) 6.199 2.236 ( 9.190 -9.781 0.100) 13.421 2.511 ( -2.611 3.157 -0.020) 4.097 2.539 ( 2.726 -2.369 -0.090) 3.612 3.026 ( 5.869 -10.030 0.003) 11.621 3.215 ( 6.534 -0.681 0.000) 6.570 3.460 ( 2.804 -3.561 0.083) 4.534 4.550 ( -0.911 2.023 -0.018) 2.218 4.729 ( -6.573 5.265 0.123) 8.423 5.223 ( -2.091 3.008 -0.078) 3.664 5.400 ( 2.866 -1.994 0.017) 3.491 5.429 ( -7.058 7.009 0.007) 9.947 6.257 ( -1.027 1.099 0.123) 1.509 6.320 ( 4.515 -5.482 -0.261) 7.107 6.328 ( -2.856 2.665 0.159) 3.909 6.607 ( 0.997 -1.380 0.813) 1.886 7.174 ( 0.742 0.955 0.033) 1.209 7.352 ( -3.096 2.576 -0.856) 4.118 7.644 ( 1.139 -0.936 0.259) 1.497 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -11.583 12.496 -1.108) 17.074 0.964 ( -10.202 8.877 1.608) 13.618 1.288 ( 0.322 0.177 1.743) 1.781 1.486 ( 0.506 -1.294 0.028) 1.389 1.533 ( 2.565 -1.592 -2.553) 3.953 1.671 ( -8.281 8.261 -0.225) 11.699 1.707 ( 4.851 -3.081 -1.444) 5.925 1.763 ( 0.830 -2.354 2.360) 3.435 1.926 ( -1.438 -0.452 -1.586) 2.188 1.995 ( 8.633 -7.357 0.514) 11.355 2.475 ( 2.299 -2.549 -0.272) 3.443 2.597 ( -3.904 4.700 0.016) 6.110 2.824 ( 7.583 -11.297 -0.180) 13.607 3.064 ( 12.038 0.659 0.019) 12.056 3.416 ( -1.269 -4.453 -0.059) 4.631 4.579 ( -0.249 2.183 -0.021) 2.198 4.886 ( -7.381 4.690 -0.062) 8.745 5.275 ( -1.142 2.876 -0.007) 3.094 5.326 ( 3.702 -2.955 0.136) 4.739 5.607 ( -7.908 5.948 0.020) 9.895 6.190 ( 5.476 -5.364 -0.258) 7.669 6.283 ( -0.667 1.196 0.166) 1.379 6.400 ( -3.115 2.384 0.217) 3.928 6.579 ( 1.460 -1.591 0.464) 2.208 7.172 ( 0.488 0.634 -0.029) 0.801 7.411 ( -2.326 2.263 -0.992) 3.393 7.619 ( 1.056 -1.143 0.349) 1.595 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -8.231 8.187 -1.405) 11.694 1.185 ( -7.719 6.188 0.196) 9.895 1.303 ( 0.791 0.436 1.944) 2.144 1.458 ( 1.166 -1.216 -2.269) 2.826 1.468 ( 0.646 -2.625 1.259) 2.982 1.583 ( 4.769 -1.781 -1.058) 5.200 1.694 ( 5.684 -3.483 -2.202) 7.021 1.744 ( 0.135 -1.704 1.647) 2.373 1.781 ( 2.549 -2.577 -0.045) 3.625 2.152 ( -12.079 5.894 0.681) 13.457 2.426 ( 0.582 -2.384 -0.598) 2.526 2.586 ( 8.243 -8.990 -0.673) 12.216 2.726 ( -4.594 6.634 0.064) 8.069 2.883 ( 11.302 0.068 0.061) 11.302 3.404 ( -2.496 -4.865 -0.224) 5.472 4.594 ( 0.627 1.786 -0.000) 1.893 5.022 ( -4.668 3.069 -0.124) 5.588 5.242 ( 2.726 -2.851 0.153) 3.947 5.309 ( 0.262 2.296 0.122) 2.314 5.763 ( -5.321 3.887 0.086) 6.590 6.063 ( 4.037 -4.272 -0.141) 5.879 6.300 ( -0.002 1.140 0.141) 1.148 6.462 ( -2.077 1.349 0.183) 2.483 6.544 ( 1.270 -1.276 0.076) 1.802 7.169 ( 0.377 0.325 -0.113) 0.510 7.445 ( -0.507 1.422 -0.489) 1.587 7.601 ( 0.061 -0.959 -0.058) 0.962 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 10.036 -3.080 -1.468) 10.600 1.189 ( 9.579 -3.931 -1.842) 10.516 1.294 ( -0.099 0.277 0.561) 0.634 1.450 ( -0.742 -0.065 0.491) 0.892 1.531 ( 0.866 -0.561 1.078) 1.493 1.543 ( -6.846 4.294 1.053) 8.150 1.681 ( -6.495 3.505 -0.367) 7.390 1.747 ( -0.397 -0.765 0.428) 0.962 1.786 ( -4.872 0.863 -0.343) 4.959 2.175 ( 10.881 -6.409 -1.406) 12.706 2.409 ( -2.153 -1.871 -1.049) 3.039 2.565 ( -12.447 1.640 -0.238) 12.557 2.724 ( 8.671 -0.562 0.119) 8.690 2.878 ( -5.348 8.724 0.074) 10.233 3.399 ( -2.881 -5.044 -0.389) 5.822 4.591 ( 1.486 1.048 0.021) 1.819 5.027 ( 4.722 -1.800 0.159) 5.056 5.244 ( -3.915 0.905 -0.048) 4.018 5.311 ( 1.816 1.530 0.167) 2.381 5.770 ( 5.988 -2.019 -0.019) 6.319 6.058 ( -5.657 0.890 0.207) 5.731 6.304 ( 0.783 0.945 0.058) 1.229 6.458 ( 2.244 -1.493 -0.099) 2.697 6.550 ( -1.965 0.919 -0.142) 2.174 7.164 ( 0.309 0.029 -0.184) 0.361 7.443 ( 1.748 0.195 0.644) 1.873 7.602 ( -1.337 -0.270 -0.935) 1.654 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 15.525 -3.827 -1.836) 16.095 0.948 ( 11.768 -5.771 -3.235) 13.500 1.285 ( 1.370 -0.362 0.215) 1.433 1.488 ( -2.093 0.460 2.662) 3.418 1.519 ( 0.579 -0.152 0.582) 0.835 1.670 ( 7.739 -1.273 1.230) 7.939 1.712 ( -4.011 2.957 1.711) 5.269 1.787 ( -3.670 0.427 -1.874) 4.143 1.923 ( 5.164 -3.274 -0.573) 6.142 2.001 ( -13.681 4.850 -1.159) 14.562 2.433 ( -3.952 -1.690 -1.320) 4.497 2.603 ( 6.234 -0.678 0.122) 6.272 2.810 ( -15.871 0.637 -0.241) 15.885 3.043 ( -4.990 9.394 -0.041) 10.637 3.398 ( -3.363 -4.723 -0.550) 5.824 4.570 ( 1.973 0.296 0.019) 1.995 4.904 ( 7.750 -2.565 0.142) 8.165 5.283 ( 3.080 0.900 0.224) 3.217 5.324 ( -4.138 1.175 -0.052) 4.301 5.613 ( 9.670 -3.469 -0.017) 10.273 6.186 ( -7.698 1.960 0.366) 7.953 6.294 ( 1.425 0.662 -0.054) 1.573 6.396 ( 3.349 -1.672 -0.227) 3.750 6.589 ( -2.071 0.798 -0.501) 2.276 7.157 ( 0.269 -0.228 -0.232) 0.422 7.409 ( 3.105 -0.487 1.231) 3.375 7.619 ( -1.842 0.148 -1.206) 2.206 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 14.076 -2.309 -4.114) 14.846 0.690 ( 12.305 -4.236 -3.680) 13.524 1.210 ( 13.030 -2.753 2.183) 13.495 1.422 ( 6.755 -0.796 -6.125) 9.153 1.506 ( 0.658 -0.246 0.016) 0.703 1.575 ( -2.074 0.303 5.878) 6.241 1.807 ( -1.319 0.279 -2.847) 3.150 1.830 ( -3.789 3.631 1.512) 5.461 1.914 ( -3.045 -2.572 2.900) 4.929 2.271 ( -14.118 4.520 -0.512) 14.833 2.476 ( -4.598 -1.611 -1.287) 5.039 2.519 ( 4.215 -0.280 0.096) 4.226 3.041 ( -13.565 -0.226 -0.123) 13.567 3.186 ( -3.932 6.030 -0.106) 7.199 3.420 ( -4.944 -2.642 -0.692) 5.648 4.540 ( 1.860 -0.127 -0.004) 1.864 4.757 ( 8.512 -1.579 -0.085) 8.657 5.236 ( 3.725 0.449 0.249) 3.760 5.389 ( -3.153 0.517 0.027) 3.196 5.428 ( 10.275 -2.642 -0.019) 10.609 6.273 ( 1.641 0.340 -0.123) 1.681 6.321 ( -6.712 1.300 0.351) 6.846 6.327 ( 3.247 -1.058 -0.174) 3.419 6.619 ( -1.746 0.419 -0.985) 2.048 7.149 ( 0.258 -0.341 -0.240) 0.490 7.360 ( 3.724 -0.457 1.230) 3.948 7.641 ( -1.715 0.171 -0.917) 1.952 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 10.132 -0.000 -7.364) 12.525 0.448 ( 12.714 -0.000 -3.791) 13.267 0.860 ( 25.214 -0.000 -1.694) 25.271 1.405 ( -5.096 -0.000 -3.865) 6.396 1.494 ( 0.542 -0.000 -0.321) 0.629 1.656 ( -1.923 0.000 6.249) 6.538 1.799 ( -0.009 -0.000 -2.410) 2.410 1.915 ( -2.620 0.000 1.243) 2.900 1.950 ( -1.787 0.000 1.857) 2.577 2.466 ( 2.537 0.000 0.079) 2.538 2.488 ( -10.578 0.000 0.119) 10.579 2.523 ( -3.724 -0.000 -1.026) 3.863 3.210 ( -8.138 -0.000 -0.031) 8.138 3.259 ( -2.405 -0.000 -0.089) 2.407 3.502 ( -7.176 -0.000 -0.582) 7.200 4.514 ( 1.257 -0.000 -0.019) 1.257 4.622 ( 7.584 -0.000 -0.285) 7.589 5.185 ( 3.221 0.000 0.222) 3.229 5.261 ( 9.114 0.000 -0.011) 9.114 5.434 ( -2.318 0.000 0.038) 2.318 6.249 ( 1.417 -0.000 -0.167) 1.427 6.266 ( 3.308 -0.000 -0.082) 3.309 6.431 ( -5.703 0.000 0.311) 5.712 6.636 ( -1.516 -0.000 -1.599) 2.204 7.141 ( 0.237 -0.000 -0.190) 0.304 7.308 ( 3.672 0.000 1.157) 3.850 7.660 ( -1.297 -0.000 -0.504) 1.391 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 13.324 0.000 0.000) 13.324 0.419 ( 13.482 0.000 0.000) 13.482 0.848 ( 26.769 0.000 0.000) 26.769 1.373 ( -4.474 -0.000 -0.000) 4.474 1.491 ( 0.682 0.000 0.000) 0.682 1.725 ( -3.635 -0.000 -0.000) 3.635 1.759 ( 0.808 0.000 0.000) 0.808 1.924 ( -2.590 -0.000 -0.000) 2.590 1.966 ( -1.858 -0.000 -0.000) 1.858 2.467 ( 2.556 0.000 0.000) 2.556 2.489 ( -10.727 -0.000 -0.000) 10.727 2.515 ( -3.780 -0.000 -0.000) 3.780 3.210 ( -8.138 -0.000 -0.000) 8.138 3.258 ( -2.390 -0.000 -0.000) 2.390 3.498 ( -7.199 -0.000 -0.000) 7.199 4.514 ( 1.262 0.000 0.000) 1.262 4.619 ( 7.670 0.000 0.000) 7.670 5.187 ( 3.223 0.000 0.000) 3.223 5.261 ( 9.100 0.000 0.000) 9.100 5.434 ( -2.322 -0.000 -0.000) 2.322 6.247 ( 1.442 0.000 0.000) 1.442 6.265 ( 3.286 0.000 0.000) 3.286 6.433 ( -5.728 -0.000 -0.000) 5.728 6.624 ( -0.809 -0.000 -0.000) 0.809 7.140 ( 0.236 0.000 0.000) 0.236 7.317 ( 3.395 0.000 0.000) 3.395 7.657 ( -1.376 -0.000 -0.000) 1.376 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( -0.000 8.525 8.489) 12.031 0.286 ( -0.000 12.178 4.499) 12.982 0.583 ( -0.000 26.301 5.902) 26.956 1.444 ( 0.000 -6.191 4.099) 7.425 1.580 ( 0.000 -1.212 2.464) 2.746 1.631 ( -0.000 -0.557 -5.829) 5.856 1.783 ( 0.000 -1.078 4.449) 4.578 1.789 ( 0.000 -0.516 0.244) 0.571 2.139 ( -0.000 0.854 -8.330) 8.373 2.437 ( -0.000 0.953 0.028) 0.953 2.536 ( 0.000 -5.822 0.821) 5.879 2.634 ( 0.000 -2.213 -0.446) 2.258 3.265 ( 0.000 -3.594 0.102) 3.595 3.295 ( 0.000 -2.539 0.059) 2.539 3.626 ( 0.000 -2.763 0.203) 2.771 4.494 ( -0.000 0.957 -0.019) 0.958 4.535 ( -0.000 3.916 0.302) 3.927 5.118 ( -0.000 2.007 -0.045) 2.007 5.183 ( -0.000 5.678 -0.161) 5.681 5.470 ( 0.000 -0.483 -0.013) 0.483 6.214 ( -0.000 0.809 0.021) 0.809 6.239 ( -0.000 1.567 0.223) 1.582 6.490 ( 0.000 -3.962 -0.354) 3.978 6.659 ( 0.000 -2.733 2.993) 4.053 7.198 ( 0.000 0.078 0.148) 0.167 7.210 ( -0.000 3.989 -1.863) 4.403 7.677 ( 0.000 -0.484 0.230) 0.536 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -2.862 9.146 6.085) 11.352 0.492 ( -7.551 10.568 3.824) 13.540 0.933 ( -10.015 22.415 3.026) 24.736 1.406 ( 1.631 -4.360 4.336) 6.362 1.550 ( 2.856 -0.045 -0.112) 2.859 1.599 ( -0.578 -0.532 -4.956) 5.018 1.787 ( -0.521 -0.857 -0.311) 1.050 1.814 ( -0.972 -2.508 3.282) 4.243 2.047 ( 3.674 -1.468 -6.001) 7.188 2.434 ( 5.078 -8.787 0.297) 10.153 2.459 ( -1.246 1.793 0.023) 2.183 2.595 ( 1.633 -2.441 -0.336) 2.956 3.183 ( 4.160 -6.899 0.091) 8.057 3.276 ( 0.318 -2.455 0.025) 2.475 3.559 ( 4.639 -3.161 0.240) 5.619 4.517 ( -1.228 1.370 -0.017) 1.840 4.604 ( -3.427 5.126 0.238) 6.171 5.161 ( -2.273 2.540 -0.151) 3.411 5.273 ( -4.028 7.380 -0.060) 8.408 5.450 ( 1.627 -1.042 0.005) 1.932 6.233 ( -1.052 0.941 0.100) 1.415 6.270 ( -1.549 2.399 0.255) 2.867 6.423 ( 2.710 -5.098 -0.432) 5.790 6.646 ( 1.001 -1.892 1.889) 2.855 7.180 ( 1.387 1.278 0.047) 1.886 7.271 ( -3.248 2.643 -1.220) 4.362 7.668 ( 0.602 -0.812 0.308) 1.057 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -6.785 10.393 2.049) 12.580 0.742 ( -9.642 9.334 2.996) 13.750 1.249 ( -5.561 9.916 -0.830) 11.399 1.441 ( -5.448 5.323 5.313) 9.287 1.507 ( 0.953 -0.843 -2.256) 2.590 1.560 ( 1.694 -0.199 -1.459) 2.245 1.773 ( 1.030 -1.996 -1.117) 2.509 1.810 ( 0.624 -2.376 2.482) 3.492 1.933 ( 2.942 -2.723 -4.345) 5.911 2.237 ( 8.866 -10.316 -0.090) 13.603 2.511 ( -2.614 3.081 -0.007) 4.040 2.537 ( 2.475 -2.730 -0.295) 3.697 3.026 ( 5.892 -10.165 0.013) 11.749 3.215 ( 6.483 -0.747 0.004) 6.526 3.462 ( 2.802 -3.842 0.135) 4.757 4.550 ( -0.903 2.028 -0.029) 2.220 4.731 ( -6.472 5.159 0.040) 8.276 5.221 ( -2.176 3.024 -0.083) 3.727 5.401 ( 2.703 -1.868 0.031) 3.286 5.429 ( -6.885 7.030 -0.004) 9.840 6.260 ( -1.041 1.110 0.197) 1.534 6.315 ( 4.465 -5.422 -0.412) 7.036 6.331 ( -2.861 2.651 0.255) 3.909 6.622 ( 1.408 -1.754 1.152) 2.527 7.174 ( 0.758 0.890 0.046) 1.170 7.336 ( -3.133 2.606 -1.266) 4.267 7.649 ( 0.943 -1.180 0.424) 1.569 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -11.037 10.724 -0.942) 15.418 0.991 ( -9.718 7.992 2.091) 12.755 1.314 ( -0.076 1.761 1.757) 2.489 1.464 ( 0.673 -1.210 -3.055) 3.354 1.516 ( 1.432 -0.880 0.394) 1.727 1.666 ( -5.235 4.364 -0.692) 6.851 1.683 ( 5.289 -2.576 -1.662) 6.113 1.792 ( 1.203 -2.941 1.439) 3.488 1.913 ( -3.629 1.262 0.048) 3.842 1.998 ( 7.438 -7.123 -0.077) 10.298 2.469 ( 2.134 -3.073 -0.513) 3.776 2.598 ( -3.962 4.634 0.029) 6.096 2.821 ( 7.770 -11.474 -0.191) 13.858 3.064 ( 12.007 0.629 0.025) 12.023 3.415 ( -1.274 -4.733 -0.074) 4.902 4.579 ( -0.251 2.206 -0.025) 2.220 4.885 ( -7.295 4.662 -0.139) 8.658 5.276 ( -1.175 2.915 0.047) 3.143 5.328 ( 3.623 -2.900 0.127) 4.642 5.607 ( -7.918 6.036 0.029) 9.956 6.186 ( 5.415 -5.273 -0.318) 7.565 6.285 ( -0.609 1.242 0.200) 1.398 6.403 ( -3.130 2.331 0.267) 3.912 6.587 ( 1.812 -1.834 0.545) 2.635 7.171 ( 0.502 0.526 -0.039) 0.728 7.394 ( -2.539 2.337 -1.230) 3.663 7.625 ( 0.960 -1.518 0.461) 1.854 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -9.551 7.944 -1.365) 12.498 1.189 ( -5.935 4.344 0.372) 7.364 1.319 ( 2.554 0.184 -0.048) 2.561 1.441 ( -0.684 -0.566 0.238) 0.919 1.490 ( 0.429 -2.089 1.812) 2.798 1.570 ( 3.483 -0.435 -0.860) 3.613 1.658 ( 4.294 -3.697 -2.632) 6.248 1.763 ( 0.735 -1.341 0.822) 1.736 1.775 ( 2.734 -3.685 -0.614) 4.629 2.165 ( -11.315 5.215 1.117) 12.509 2.416 ( 0.428 -3.019 -0.798) 3.152 2.576 ( 8.526 -9.316 -0.649) 12.645 2.727 ( -4.608 6.670 0.083) 8.108 2.883 ( 11.246 0.085 0.061) 11.246 3.401 ( -2.514 -5.128 -0.224) 5.715 4.594 ( 0.621 1.820 0.001) 1.923 5.020 ( -4.756 3.143 -0.145) 5.702 5.244 ( 2.785 -2.859 0.177) 3.996 5.310 ( 0.264 2.386 0.105) 2.403 5.765 ( -5.297 3.928 0.088) 6.595 6.061 ( 3.885 -4.138 -0.136) 5.677 6.302 ( 0.094 1.190 0.132) 1.201 6.465 ( -1.971 1.283 0.189) 2.360 6.545 ( 1.504 -1.442 0.071) 2.085 7.167 ( 0.368 0.198 -0.114) 0.433 7.437 ( -1.269 1.789 -0.684) 2.298 7.601 ( 0.439 -1.594 0.134) 1.659 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 9.624 -4.327 -0.630) 10.571 1.160 ( 9.895 -4.775 -2.022) 11.172 1.294 ( 0.493 0.589 -0.480) 0.906 1.470 ( -2.055 0.580 2.148) 3.028 1.530 ( 1.062 1.558 -0.268) 1.905 1.577 ( -6.469 3.131 2.702) 7.678 1.667 ( -9.025 3.489 -1.416) 9.779 1.749 ( -1.132 -0.020 -0.664) 1.313 1.780 ( -2.869 0.051 -0.041) 2.869 2.159 ( 12.024 -7.195 -0.755) 14.032 2.395 ( -2.245 -2.629 -0.920) 3.577 2.561 ( -12.795 1.428 -0.241) 12.877 2.725 ( 8.654 -0.447 0.099) 8.666 2.879 ( -5.328 8.628 0.068) 10.141 3.394 ( -2.882 -5.286 -0.313) 6.029 4.591 ( 1.490 1.071 0.019) 1.835 5.029 ( 4.593 -1.737 0.105) 4.912 5.243 ( -3.817 0.900 -0.012) 3.921 5.313 ( 1.862 1.652 0.119) 2.492 5.770 ( 6.037 -2.028 -0.013) 6.369 6.061 ( -5.829 1.014 0.176) 5.919 6.305 ( 0.884 0.972 0.035) 1.315 6.457 ( 2.448 -1.531 -0.085) 2.889 6.548 ( -1.813 0.809 -0.109) 1.988 7.162 ( 0.288 -0.098 -0.152) 0.340 7.450 ( 0.988 0.684 0.350) 1.251 7.591 ( -0.953 -0.938 -0.589) 1.461 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 16.232 -5.319 -0.753) 17.098 0.908 ( 12.051 -6.275 -2.264) 13.774 1.287 ( 0.327 0.514 0.117) 0.620 1.516 ( 0.645 0.503 0.928) 1.237 1.529 ( -0.416 -0.134 1.225) 1.301 1.687 ( 10.617 -1.643 1.097) 10.799 1.731 ( -3.680 2.400 0.340) 4.406 1.753 ( -3.299 1.005 -1.907) 3.941 1.930 ( 0.730 -2.770 1.192) 3.103 1.983 ( -13.941 4.759 -1.342) 14.791 2.416 ( -4.176 -2.338 -0.920) 4.874 2.604 ( 6.288 -0.534 0.076) 6.312 2.807 ( -15.940 0.498 -0.153) 15.949 3.042 ( -4.943 9.295 -0.022) 10.528 3.392 ( -3.333 -4.958 -0.337) 5.984 4.570 ( 1.985 0.296 0.013) 2.007 4.905 ( 7.842 -2.596 0.050) 8.261 5.285 ( 3.153 1.001 0.159) 3.312 5.323 ( -4.199 1.259 -0.046) 4.384 5.613 ( 9.641 -3.501 -0.006) 10.257 6.191 ( -7.757 2.007 0.235) 8.016 6.293 ( 1.510 0.654 -0.045) 1.646 6.394 ( 3.397 -1.641 -0.145) 3.775 6.583 ( -1.746 0.686 -0.319) 1.902 7.154 ( 0.253 -0.326 -0.148) 0.439 7.424 ( 2.901 -0.316 0.757) 3.015 7.605 ( -1.934 -0.107 -0.729) 2.070 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 16.142 -3.630 -1.559) 16.619 0.652 ( 12.849 -4.449 -1.453) 13.675 1.251 ( 17.805 -3.372 3.387) 18.435 1.338 ( 3.440 -0.150 -5.071) 6.130 1.506 ( 0.939 -0.144 -0.018) 0.951 1.649 ( -2.847 0.626 3.740) 4.742 1.764 ( -1.661 0.190 -2.595) 3.087 1.847 ( -3.413 3.940 0.633) 5.251 1.945 ( -3.376 -3.027 1.233) 4.699 2.265 ( -14.460 4.861 -0.240) 15.257 2.463 ( -4.878 -2.080 -0.536) 5.330 2.520 ( 4.288 -0.206 0.046) 4.294 3.040 ( -13.662 -0.242 -0.047) 13.665 3.185 ( -3.898 6.073 -0.039) 7.216 3.413 ( -4.899 -2.842 -0.264) 5.670 4.540 ( 1.872 -0.137 -0.001) 1.877 4.756 ( 8.666 -1.607 -0.077) 8.814 5.238 ( 3.742 0.553 0.098) 3.784 5.389 ( -3.198 0.566 0.014) 3.247 5.428 ( 10.269 -2.736 -0.007) 10.628 6.271 ( 1.739 0.328 -0.048) 1.770 6.324 ( -4.350 0.753 0.140) 4.417 6.326 ( 0.794 -0.473 -0.073) 0.927 6.608 ( -1.280 0.333 -0.416) 1.387 7.146 ( 0.250 -0.389 -0.095) 0.472 7.373 ( 3.642 -0.405 0.499) 3.698 7.632 ( -1.878 0.112 -0.349) 1.914 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( -0.000 9.507 6.232) 11.368 0.417 ( -0.000 6.036 10.030) 11.706 0.687 ( -0.000 18.942 8.006) 20.564 1.492 ( 0.000 -3.059 2.799) 4.146 1.547 ( -0.000 -0.437 -5.895) 5.911 1.599 ( 0.000 -3.118 -0.346) 3.137 1.798 ( 0.000 -2.022 0.792) 2.172 1.840 ( 0.000 -1.160 3.464) 3.653 2.021 ( -0.000 2.405 -7.572) 7.944 2.438 ( -0.000 0.971 0.046) 0.973 2.548 ( 0.000 -6.266 0.802) 6.317 2.626 ( 0.000 -2.246 -0.724) 2.360 3.267 ( 0.000 -3.616 0.165) 3.620 3.297 ( 0.000 -2.619 0.090) 2.620 3.631 ( 0.000 -3.124 0.482) 3.161 4.494 ( -0.000 0.976 -0.030) 0.977 4.537 ( -0.000 4.095 0.019) 4.095 5.118 ( -0.000 2.002 -0.073) 2.003 5.181 ( -0.000 5.766 -0.195) 5.769 5.469 ( 0.000 -0.438 -0.037) 0.440 6.215 ( -0.000 0.815 0.034) 0.816 6.243 ( -0.000 1.570 0.360) 1.611 6.483 ( 0.000 -3.938 -0.544) 3.975 6.695 ( 0.000 -3.087 1.926) 3.639 7.188 ( -0.000 4.015 -1.080) 4.158 7.201 ( 0.000 0.059 0.239) 0.247 7.682 ( 0.000 -0.628 0.417) 0.754 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -1.359 4.694 7.869) 9.263 0.555 ( -6.530 8.771 4.915) 11.989 0.972 ( -8.148 18.820 1.857) 20.592 1.461 ( 1.562 -2.286 1.924) 3.371 1.512 ( -0.163 -2.101 -2.780) 3.489 1.572 ( 1.647 1.742 0.222) 2.408 1.781 ( -0.080 -1.344 -0.378) 1.399 1.854 ( -0.106 -2.189 2.190) 3.098 1.958 ( 2.139 -0.964 -5.955) 6.400 2.437 ( 5.192 -9.391 0.116) 10.731 2.459 ( -1.200 1.734 0.048) 2.110 2.589 ( 1.208 -2.697 -0.523) 3.001 3.184 ( 4.170 -7.001 0.114) 8.150 3.276 ( 0.312 -2.559 0.033) 2.578 3.563 ( 4.526 -3.555 0.330) 5.765 4.517 ( -1.220 1.377 -0.019) 1.840 4.605 ( -3.453 5.127 -0.031) 6.181 5.159 ( -2.245 2.547 -0.123) 3.397 5.272 ( -4.043 7.500 -0.065) 8.520 5.450 ( 1.620 -0.991 -0.014) 1.899 6.234 ( -1.163 0.948 0.115) 1.505 6.275 ( -1.467 2.398 0.322) 2.829 6.416 ( 2.673 -5.055 -0.510) 5.741 6.672 ( 1.290 -2.284 1.578) 3.061 7.180 ( 1.322 1.368 0.037) 1.903 7.255 ( -3.139 2.450 -0.987) 4.103 7.673 ( 0.448 -1.050 0.402) 1.210 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -4.532 6.288 2.914) 8.281 0.787 ( -9.061 8.412 3.247) 12.782 1.236 ( -6.155 10.610 -1.034) 12.310 1.440 ( -0.134 0.320 -4.608) 4.621 1.509 ( -1.180 0.791 2.449) 2.831 1.582 ( -0.083 2.471 3.575) 4.346 1.756 ( 1.729 -2.311 -1.169) 3.114 1.840 ( 0.395 -1.699 1.608) 2.372 1.873 ( 1.481 -2.043 -3.786) 4.550 2.233 ( 8.566 -11.095 -0.352) 14.021 2.511 ( -2.582 2.979 0.019) 3.942 2.531 ( 2.169 -3.131 -0.463) 3.837 3.027 ( 5.915 -10.322 0.022) 11.897 3.215 ( 6.419 -0.829 0.009) 6.472 3.464 ( 2.813 -4.174 0.135) 5.036 4.549 ( -0.892 2.033 -0.028) 2.221 4.730 ( -6.419 5.120 -0.109) 8.212 5.220 ( -2.260 3.051 -0.040) 3.797 5.401 ( 2.645 -1.812 0.044) 3.206 5.429 ( -6.827 7.129 -0.029) 9.871 6.263 ( -1.062 1.125 0.196) 1.560 6.309 ( 4.418 -5.357 -0.404) 6.955 6.335 ( -2.865 2.636 0.254) 3.901 6.638 ( 1.764 -2.053 0.995) 2.884 7.175 ( 0.773 0.811 0.038) 1.121 7.319 ( -3.072 2.536 -1.147) 4.146 7.655 ( 0.704 -1.485 0.430) 1.699 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -10.412 8.623 -0.555) 13.530 1.022 ( -9.132 7.260 2.049) 11.845 1.332 ( 0.316 2.317 0.492) 2.390 1.422 ( -1.449 0.948 -2.237) 2.829 1.527 ( 0.602 0.198 0.800) 1.021 1.645 ( 2.848 -3.176 -1.811) 4.634 1.669 ( 0.860 0.912 -0.467) 1.337 1.801 ( 1.342 -2.959 0.081) 3.250 1.928 ( -4.112 1.153 1.847) 4.653 1.993 ( 5.601 -6.343 -0.645) 8.487 2.461 ( 2.001 -3.593 -0.572) 4.152 2.598 ( -4.005 4.574 0.027) 6.080 2.819 ( 7.938 -11.630 -0.128) 14.081 3.065 ( 11.979 0.601 0.022) 11.994 3.414 ( -1.274 -5.005 -0.060) 5.165 4.578 ( -0.255 2.227 -0.019) 2.241 4.882 ( -7.241 4.672 -0.158) 8.619 5.277 ( -1.243 3.000 0.077) 3.248 5.329 ( 3.588 -2.893 0.073) 4.610 5.608 ( -7.934 6.116 0.026) 10.018 6.182 ( 5.356 -5.185 -0.256) 7.459 6.288 ( -0.552 1.281 0.159) 1.404 6.407 ( -3.145 2.285 0.216) 3.893 6.594 ( 2.133 -2.048 0.421) 2.987 7.171 ( 0.513 0.419 -0.034) 0.664 7.378 ( -2.676 2.363 -0.995) 3.706 7.631 ( 0.818 -1.867 0.391) 2.075 ======================= Grid point 134 (54/171) ======================= q-point: ( 0.70 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -10.706 7.420 -0.843) 13.053 1.196 ( -3.743 2.920 0.443) 4.768 1.306 ( 2.393 -0.106 -1.244) 2.700 1.460 ( -0.263 -0.079 1.946) 1.965 1.516 ( -0.573 -0.811 1.595) 1.879 1.557 ( 1.233 0.843 -0.930) 1.759 1.623 ( 4.246 -4.140 -1.985) 6.254 1.760 ( 4.376 -4.163 -0.859) 6.101 1.775 ( -0.355 -1.811 0.311) 1.871 2.181 ( -10.678 4.603 0.948) 11.666 2.405 ( 0.264 -3.569 -0.651) 3.637 2.568 ( 8.796 -9.559 -0.382) 12.995 2.728 ( -4.610 6.687 0.060) 8.122 2.884 ( 11.203 0.103 0.038) 11.204 3.398 ( -2.526 -5.334 -0.138) 5.903 4.594 ( 0.616 1.846 0.002) 1.946 5.018 ( -4.828 3.212 -0.100) 5.800 5.247 ( 2.833 -2.896 0.122) 4.053 5.312 ( 0.263 2.490 0.056) 2.504 5.766 ( -5.276 3.957 0.055) 6.595 6.060 ( 3.755 -4.027 -0.081) 5.507 6.303 ( 0.171 1.223 0.077) 1.237 6.467 ( -1.885 1.237 0.120) 2.258 6.546 ( 1.693 -1.572 0.041) 2.311 7.166 ( 0.360 0.095 -0.071) 0.379 7.428 ( -1.770 1.992 -0.504) 2.712 7.604 ( 0.634 -2.019 0.162) 2.122 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 9.249 -5.352 0.213) 10.688 1.136 ( 10.114 -4.957 -1.213) 11.329 1.286 ( 0.561 0.771 -0.344) 1.013 1.499 ( -2.700 1.370 1.392) 3.333 1.527 ( 1.314 1.600 -0.090) 2.072 1.610 ( -5.787 3.586 1.530) 6.978 1.648 ( -9.409 2.850 -1.023) 9.885 1.732 ( -3.895 0.448 -1.075) 4.065 1.784 ( -0.716 -0.284 0.265) 0.815 2.153 ( 12.572 -7.588 -0.185) 14.686 2.385 ( -2.273 -3.164 -0.373) 3.914 2.559 ( -13.023 1.320 -0.103) 13.090 2.726 ( 8.639 -0.373 0.039) 8.647 2.880 ( -5.316 8.565 0.028) 10.081 3.390 ( -2.881 -5.432 -0.119) 6.150 4.591 ( 1.492 1.085 0.008) 1.845 5.030 ( 4.520 -1.701 0.035) 4.830 5.243 ( -3.770 0.891 0.002) 3.874 5.314 ( 1.906 1.735 0.042) 2.578 5.770 ( 6.063 -2.033 -0.004) 6.395 6.063 ( -5.933 1.092 0.069) 6.033 6.305 ( 0.945 0.982 0.011) 1.363 6.456 ( 2.577 -1.555 -0.034) 3.010 6.547 ( -1.716 0.745 -0.040) 1.871 7.160 ( 0.276 -0.178 -0.059) 0.334 7.453 ( 0.432 1.012 0.080) 1.104 7.585 ( -0.634 -1.377 -0.172) 1.525 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 16.740 -6.064 -0.000) 17.804 0.890 ( 11.900 -6.311 -0.000) 13.470 1.288 ( -0.291 0.922 0.000) 0.967 1.521 ( 1.139 0.688 0.000) 1.331 1.542 ( 1.350 -0.605 -0.000) 1.480 1.696 ( 10.383 -1.380 -0.000) 10.475 1.721 ( -2.566 -0.109 0.000) 2.569 1.748 ( -4.282 3.288 0.000) 5.399 1.944 ( 1.466 -4.175 -0.000) 4.425 1.969 ( -16.346 6.388 0.000) 17.550 2.409 ( -4.263 -2.601 -0.000) 4.994 2.605 ( 6.307 -0.476 -0.000) 6.325 2.806 ( -15.968 0.444 0.000) 15.974 3.042 ( -4.926 9.256 0.000) 10.485 3.389 ( -3.321 -5.047 -0.000) 6.041 4.570 ( 1.989 0.296 0.000) 2.011 4.906 ( 7.889 -2.611 -0.000) 8.310 5.287 ( 3.205 1.031 0.000) 3.367 5.323 ( -4.247 1.301 0.000) 4.442 5.613 ( 9.628 -3.514 -0.000) 10.250 6.192 ( -7.782 2.028 0.000) 8.042 6.293 ( 1.544 0.645 0.000) 1.673 6.393 ( 3.416 -1.628 -0.000) 3.784 6.580 ( -1.611 0.642 0.000) 1.734 7.153 ( 0.248 -0.365 -0.000) 0.441 7.430 ( 2.804 -0.238 -0.000) 2.814 7.600 ( -1.958 -0.213 0.000) 1.970 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 5.938 0.000 9.480) 11.187 0.518 ( 11.263 0.000 5.560) 12.561 0.893 ( 21.303 0.000 2.598) 21.461 1.460 ( -4.505 0.000 2.756) 5.281 1.500 ( 0.125 0.000 0.550) 0.564 1.569 ( -1.646 -0.000 -5.203) 5.457 1.814 ( 1.321 -0.000 -0.283) 1.351 1.890 ( -2.657 -0.000 -2.126) 3.403 1.927 ( -2.286 -0.000 -1.142) 2.555 2.465 ( 2.473 -0.000 -0.068) 2.474 2.486 ( -10.201 -0.000 -0.205) 10.203 2.542 ( -3.560 0.000 1.463) 3.848 3.211 ( -8.134 -0.000 0.049) 8.134 3.261 ( -2.443 0.000 0.150) 2.447 3.513 ( -7.121 0.000 0.941) 7.183 4.514 ( 1.244 0.000 0.032) 1.245 4.625 ( 7.557 0.000 0.090) 7.558 5.181 ( 3.205 -0.000 -0.334) 3.223 5.261 ( 9.155 0.000 0.019) 9.155 5.433 ( -2.305 -0.000 -0.054) 2.305 6.252 ( 1.352 0.000 0.260) 1.377 6.268 ( 3.366 0.000 0.133) 3.369 6.425 ( -5.658 -0.000 -0.481) 5.679 6.662 ( -2.377 0.000 1.742) 2.947 7.145 ( 0.242 0.000 0.288) 0.376 7.289 ( 3.813 -0.000 -1.338) 4.041 7.670 ( -1.093 0.000 0.827) 1.370 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -0.000 7.681 5.738) 9.587 0.554 ( -0.000 8.143 8.859) 12.033 0.793 ( -0.000 9.293 6.279) 11.215 1.467 ( -0.000 -0.315 -5.107) 5.117 1.530 ( 0.000 -0.984 2.414) 2.607 1.578 ( -0.000 -0.222 -1.803) 1.816 1.804 ( 0.000 -2.695 -0.114) 2.697 1.882 ( 0.000 -1.239 2.353) 2.659 1.929 ( -0.000 1.048 -5.312) 5.414 2.438 ( -0.000 0.995 0.045) 0.996 2.558 ( 0.000 -6.870 0.555) 6.893 2.615 ( 0.000 -2.286 -0.726) 2.399 3.270 ( 0.000 -3.643 0.165) 3.647 3.298 ( 0.000 -2.709 0.083) 2.710 3.638 ( 0.000 -3.544 0.528) 3.583 4.494 ( -0.000 1.000 -0.030) 1.001 4.536 ( -0.000 4.075 -0.109) 4.076 5.116 ( -0.000 1.996 -0.073) 1.997 5.178 ( -0.000 5.916 -0.172) 5.918 5.469 ( 0.000 -0.409 -0.041) 0.411 6.215 ( -0.000 0.823 0.034) 0.824 6.249 ( -0.000 1.577 0.359) 1.617 6.475 ( 0.000 -3.896 -0.528) 3.931 6.716 ( 0.000 -2.376 0.983) 2.571 7.178 ( -0.000 3.259 -0.446) 3.290 7.204 ( 0.000 0.037 0.239) 0.242 7.688 ( 0.000 -0.810 0.444) 0.923 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -6.096 8.092 3.941) 10.871 0.658 ( 0.577 0.275 8.004) 8.030 0.977 ( -6.763 15.903 -1.109) 17.317 1.425 ( 0.693 -0.701 -3.795) 3.921 1.525 ( 0.059 -1.488 1.245) 1.941 1.589 ( 0.680 3.000 2.567) 4.007 1.775 ( 0.317 -1.572 -0.476) 1.673 1.867 ( 1.716 -0.822 -1.804) 2.622 1.894 ( 0.136 -2.362 -1.413) 2.756 2.437 ( 5.235 -10.079 -0.071) 11.357 2.460 ( -1.183 1.755 0.038) 2.117 2.581 ( 0.876 -3.007 -0.479) 3.168 3.186 ( 4.179 -7.097 0.092) 8.236 3.277 ( 0.302 -2.660 0.028) 2.677 3.568 ( 4.459 -3.930 0.280) 5.950 4.517 ( -1.212 1.382 -0.014) 1.838 4.604 ( -3.482 5.138 -0.159) 6.209 5.158 ( -2.240 2.554 -0.073) 3.398 5.271 ( -4.041 7.636 -0.045) 8.639 5.450 ( 1.606 -0.966 -0.023) 1.874 6.236 ( -1.271 0.958 0.088) 1.594 6.279 ( -1.386 2.395 0.264) 2.780 6.409 ( 2.639 -5.012 -0.402) 5.679 6.690 ( 1.331 -2.263 0.939) 2.788 7.181 ( 1.213 1.434 0.008) 1.879 7.244 ( -2.820 2.015 -0.552) 3.509 7.679 ( 0.304 -1.292 0.338) 1.369 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -2.362 2.527 2.276) 4.141 0.828 ( -8.594 7.820 2.230) 11.832 1.221 ( -7.582 11.881 -0.970) 14.127 1.381 ( 1.043 -0.247 -3.208) 3.382 1.529 ( 0.002 0.331 0.697) 0.772 1.637 ( -0.464 2.411 3.447) 4.233 1.741 ( 2.707 -2.851 -0.941) 4.043 1.826 ( -0.949 0.224 -2.245) 2.448 1.860 ( 0.589 -2.107 0.863) 2.352 2.228 ( 8.356 -11.890 -0.357) 14.537 2.511 ( -2.585 2.933 0.038) 3.910 2.525 ( 1.990 -3.479 -0.383) 4.026 3.027 ( 5.929 -10.441 0.018) 12.007 3.215 ( 6.367 -0.898 0.008) 6.430 3.466 ( 2.833 -4.433 0.084) 5.262 4.549 ( -0.884 2.037 -0.017) 2.221 4.728 ( -6.409 5.133 -0.125) 8.212 5.220 ( -2.318 3.079 -0.008) 3.854 5.402 ( 2.741 -1.867 0.037) 3.316 5.428 ( -6.929 7.295 -0.033) 10.061 6.265 ( -1.084 1.142 0.121) 1.579 6.304 ( 4.388 -5.312 -0.248) 6.894 6.338 ( -2.867 2.624 0.157) 3.889 6.649 ( 1.967 -2.203 0.553) 3.005 7.175 ( 0.780 0.749 0.019) 1.081 7.305 ( -2.960 2.419 -0.661) 3.879 7.661 ( 0.514 -1.735 0.268) 1.830 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -9.966 7.171 -0.174) 12.279 1.044 ( -8.766 6.937 0.942) 11.218 1.329 ( 1.744 0.230 -0.500) 1.829 1.406 ( -4.604 5.442 -0.303) 7.135 1.536 ( 0.116 0.606 0.331) 0.700 1.625 ( 5.213 -4.817 -0.818) 7.145 1.664 ( 0.894 -0.091 -0.158) 0.913 1.800 ( 0.996 -2.512 -0.097) 2.703 1.957 ( -2.211 -0.668 1.908) 2.996 1.980 ( 3.106 -4.932 -1.266) 5.964 2.455 ( 1.950 -3.920 -0.260) 4.386 2.598 ( -4.027 4.540 0.011) 6.069 2.818 ( 8.031 -11.716 -0.042) 14.204 3.065 ( 11.964 0.585 0.009) 11.978 3.414 ( -1.272 -5.168 -0.023) 5.322 4.578 ( -0.258 2.239 -0.007) 2.254 4.881 ( -7.221 4.696 -0.070) 8.614 5.278 ( -1.303 3.073 0.038) 3.338 5.330 ( 3.588 -2.911 0.021) 4.620 5.608 ( -7.947 6.162 0.010) 10.056 6.179 ( 5.320 -5.131 -0.098) 7.392 6.290 ( -0.517 1.302 0.060) 1.402 6.409 ( -3.154 2.259 0.083) 3.881 6.598 ( 2.318 -2.169 0.156) 3.178 7.170 ( 0.519 0.354 -0.014) 0.629 7.368 ( -2.731 2.358 -0.380) 3.628 7.635 ( 0.713 -2.072 0.153) 2.197 ======================= Grid point 145 (62/171) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -11.145 7.166 0.000) 13.250 1.199 ( -2.625 2.347 0.000) 3.522 1.296 ( 1.795 -0.106 -0.000) 1.798 1.479 ( 0.925 -0.024 -0.000) 0.925 1.529 ( -1.463 0.221 0.000) 1.480 1.548 ( -0.596 1.074 0.000) 1.229 1.608 ( 4.798 -4.267 -0.000) 6.421 1.752 ( 4.894 -5.190 -0.000) 7.133 1.777 ( -0.526 -1.376 -0.000) 1.473 2.188 ( -10.452 4.377 0.000) 11.332 2.400 ( 0.207 -3.801 -0.000) 3.807 2.566 ( 8.905 -9.647 -0.000) 13.129 2.728 ( -4.609 6.691 0.000) 8.125 2.884 ( 11.188 0.111 -0.000) 11.188 3.397 ( -2.530 -5.411 -0.000) 5.973 4.594 ( 0.614 1.856 0.000) 1.955 5.018 ( -4.856 3.241 0.000) 5.838 5.247 ( 2.851 -2.918 -0.000) 4.080 5.312 ( 0.262 2.537 0.000) 2.551 5.766 ( -5.268 3.967 0.000) 6.594 6.059 ( 3.704 -3.984 -0.000) 5.440 6.304 ( 0.200 1.233 0.000) 1.250 6.468 ( -1.852 1.220 0.000) 2.218 6.546 ( 1.765 -1.621 -0.000) 2.396 7.165 ( 0.357 0.055 0.000) 0.361 7.424 ( -1.934 2.047 0.000) 2.816 7.605 ( 0.683 -2.160 -0.000) 2.265 ======================= Grid point 149 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 11.044 -0.773 5.298) 12.273 0.750 ( 11.588 -3.721 4.432) 12.953 1.188 ( 11.443 -2.667 -1.068) 11.798 1.471 ( 3.570 -0.630 -4.109) 5.479 1.504 ( 0.127 -0.200 0.146) 0.278 1.524 ( 1.026 -0.476 3.148) 3.345 1.802 ( -3.146 3.066 -1.984) 4.820 1.844 ( 0.306 -0.393 1.560) 1.637 1.871 ( -3.728 -1.367 -2.476) 4.679 2.279 ( -13.620 4.178 0.478) 14.255 2.496 ( -4.095 -0.954 1.384) 4.427 2.518 ( 3.967 -0.357 -0.073) 3.983 3.043 ( -13.412 -0.203 0.149) 13.414 3.188 ( -3.987 5.965 0.138) 7.176 3.432 ( -5.013 -2.324 0.858) 5.591 4.540 ( 1.841 -0.111 0.008) 1.845 4.758 ( 8.379 -1.556 -0.076) 8.523 5.232 ( 3.700 0.289 -0.297) 3.723 5.388 ( -3.109 0.469 -0.016) 3.144 5.428 ( 10.304 -2.530 0.026) 10.610 6.275 ( 1.503 0.356 0.157) 1.552 6.315 ( -6.919 1.343 -0.440) 7.061 6.330 ( 3.569 -1.160 0.213) 3.758 6.634 ( -2.284 0.519 1.050) 2.567 7.153 ( 0.273 -0.268 0.279) 0.474 7.341 ( 3.717 -0.512 -1.397) 4.004 7.656 ( -1.454 0.266 1.140) 1.867 ======================= Grid point 150 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 10.144 0.000 5.139) 11.372 0.609 ( 3.385 0.000 9.133) 9.740 0.923 ( 16.825 0.000 1.095) 16.861 1.448 ( -2.530 -0.000 -3.874) 4.627 1.508 ( -0.519 0.000 0.608) 0.799 1.545 ( -0.743 0.000 1.425) 1.607 1.801 ( 1.172 -0.000 -1.186) 1.668 1.858 ( -2.599 -0.000 -2.306) 3.474 1.917 ( -2.247 -0.000 -0.410) 2.284 2.464 ( 2.399 -0.000 -0.035) 2.399 2.483 ( -9.755 -0.000 -0.220) 9.757 2.562 ( -3.360 0.000 1.286) 3.598 3.211 ( -8.125 -0.000 0.048) 8.125 3.263 ( -2.484 0.000 0.157) 2.489 3.527 ( -7.061 0.000 0.940) 7.123 4.515 ( 1.229 0.000 0.034) 1.229 4.624 ( 7.595 -0.000 -0.134) 7.596 5.176 ( 3.184 -0.000 -0.319) 3.200 5.261 ( 9.208 0.000 0.021) 9.208 5.432 ( -2.289 -0.000 -0.045) 2.289 6.256 ( 1.272 0.000 0.256) 1.297 6.270 ( 3.437 0.000 0.133) 3.440 6.418 ( -5.613 -0.000 -0.471) 5.633 6.683 ( -2.606 0.000 1.197) 2.867 7.149 ( 0.251 0.000 0.265) 0.365 7.273 ( 3.484 -0.000 -0.981) 3.620 7.683 ( -0.847 0.000 0.841) 1.193 ======================= Grid point 152 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -0.000 6.719 3.514) 7.582 0.661 ( -0.000 13.601 5.722) 14.755 0.857 ( 0.000 -1.359 2.645) 2.974 1.407 ( -0.000 -0.241 -3.115) 3.124 1.538 ( 0.000 -0.927 -1.064) 1.411 1.580 ( -0.000 3.741 1.940) 4.214 1.795 ( 0.000 -2.252 -0.925) 2.435 1.870 ( -0.000 -0.327 -2.894) 2.912 1.907 ( 0.000 -1.289 1.188) 1.753 2.439 ( -0.000 1.015 0.028) 1.015 2.564 ( 0.000 -7.459 0.263) 7.464 2.606 ( 0.000 -2.320 -0.450) 2.363 3.272 ( 0.000 -3.666 0.102) 3.667 3.299 ( 0.000 -2.776 0.048) 2.777 3.645 ( 0.000 -3.864 0.335) 3.879 4.493 ( -0.000 1.020 -0.018) 1.020 4.535 ( -0.000 3.948 -0.088) 3.949 5.116 ( -0.000 1.991 -0.045) 1.992 5.176 ( -0.000 6.055 -0.100) 6.056 5.468 ( 0.000 -0.399 -0.026) 0.400 6.215 ( -0.000 0.829 0.021) 0.829 6.253 ( -0.000 1.584 0.221) 1.599 6.469 ( 0.000 -3.860 -0.321) 3.874 6.725 ( 0.000 -1.883 0.422) 1.930 7.174 ( -0.000 2.712 -0.157) 2.717 7.207 ( 0.000 0.019 0.148) 0.149 7.693 ( 0.000 -0.956 0.285) 0.997 ======================= Grid point 153 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -5.844 7.638 1.560) 9.743 0.754 ( 2.870 -4.269 4.526) 6.852 0.948 ( -7.194 16.699 -2.165) 18.311 1.386 ( 0.465 -0.701 -1.527) 1.744 1.531 ( -0.133 -0.039 -0.023) 0.141 1.630 ( 0.073 3.901 2.117) 4.439 1.768 ( 0.262 -1.321 -0.456) 1.422 1.829 ( 1.602 -1.590 -1.769) 2.868 1.896 ( 0.382 -2.195 0.323) 2.251 2.436 ( 5.242 -10.579 -0.062) 11.807 2.460 ( -1.190 1.807 0.014) 2.164 2.576 ( 0.710 -3.229 -0.194) 3.312 3.187 ( 4.183 -7.154 0.035) 8.288 3.277 ( 0.295 -2.720 0.011) 2.736 3.570 ( 4.431 -4.154 0.109) 6.074 4.517 ( -1.207 1.385 -0.005) 1.837 4.602 ( -3.488 5.127 -0.080) 6.201 5.157 ( -2.248 2.561 -0.024) 3.408 5.271 ( -4.035 7.726 -0.016) 8.717 5.450 ( 1.596 -0.962 -0.011) 1.864 6.236 ( -1.335 0.965 0.033) 1.648 6.282 ( -1.338 2.394 0.102) 2.744 6.405 ( 2.619 -4.986 -0.152) 5.634 6.698 ( 1.308 -2.172 0.306) 2.554 7.181 ( 1.122 1.459 -0.003) 1.840 7.239 ( -2.564 1.717 -0.170) 3.091 7.682 ( 0.218 -1.443 0.132) 1.465 ======================= Grid point 154 (67/171) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -1.390 0.903 0.000) 1.657 0.845 ( -8.426 7.651 0.000) 11.381 1.213 ( -8.518 12.704 0.000) 15.295 1.357 ( 1.588 -0.483 -0.000) 1.660 1.534 ( 0.064 0.365 0.000) 0.371 1.665 ( 0.230 1.978 0.000) 1.991 1.733 ( 3.210 -3.417 -0.000) 4.688 1.809 ( -1.956 0.854 0.000) 2.134 1.866 ( 0.274 -1.535 -0.000) 1.559 2.225 ( 8.283 -12.256 -0.000) 14.793 2.512 ( -2.675 3.025 0.000) 4.038 2.522 ( 2.021 -3.721 -0.000) 4.235 3.027 ( 5.933 -10.485 -0.000) 12.047 3.215 ( 6.347 -0.924 -0.000) 6.414 3.466 ( 2.843 -4.529 -0.000) 5.347 4.549 ( -0.882 2.038 0.000) 2.220 4.727 ( -6.409 5.144 0.000) 8.218 5.220 ( -2.340 3.091 0.000) 3.877 5.402 ( 2.819 -1.919 -0.000) 3.410 5.428 ( -7.012 7.385 0.000) 10.183 6.266 ( -1.093 1.150 0.000) 1.587 6.302 ( 4.378 -5.298 -0.000) 6.873 6.339 ( -2.867 2.619 0.000) 3.883 6.653 ( 2.029 -2.244 -0.000) 3.026 7.175 ( 0.781 0.725 0.000) 1.066 7.301 ( -2.905 2.364 0.000) 3.745 7.663 ( 0.443 -1.831 -0.000) 1.884 ======================= Grid point 160 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 14.732 -2.293 2.212) 15.073 0.995 ( 11.206 -4.897 3.166) 12.633 1.282 ( 1.422 -0.977 -0.071) 1.727 1.446 ( 0.252 -0.112 -3.032) 3.045 1.508 ( 0.076 -0.880 -0.916) 1.273 1.656 ( 2.748 0.001 -0.629) 2.819 1.688 ( -3.299 2.541 -1.523) 4.434 1.797 ( -4.161 -0.290 -0.298) 4.182 1.949 ( 8.619 -3.236 2.648) 9.579 2.015 ( -13.580 5.298 0.766) 14.597 2.451 ( -3.676 -0.928 1.144) 3.960 2.601 ( 6.155 -0.845 -0.123) 6.214 2.813 ( -15.791 0.801 0.233) 15.813 3.043 ( -5.049 9.512 0.048) 10.769 3.406 ( -3.398 -4.424 0.554) 5.606 4.569 ( 1.958 0.296 -0.016) 1.980 4.901 ( 7.689 -2.544 -0.211) 8.102 5.279 ( 3.068 0.742 -0.193) 3.162 5.325 ( -4.135 1.117 0.036) 4.283 5.614 ( 9.700 -3.437 0.026) 10.291 6.181 ( -7.634 1.915 -0.351) 7.878 6.295 ( 1.320 0.650 0.034) 1.472 6.400 ( 3.291 -1.706 0.220) 3.713 6.596 ( -2.428 0.928 0.484) 2.644 7.161 ( 0.292 -0.111 0.222) 0.384 7.391 ( 3.283 -0.653 -1.229) 3.566 7.637 ( -1.692 0.425 1.223) 2.131 ======================= Grid point 161 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 7.930 0.348 4.705) 9.228 0.809 ( 11.061 -3.100 3.580) 12.032 1.177 ( 12.051 -2.752 -0.472) 12.370 1.392 ( -0.232 -0.253 -5.313) 5.324 1.502 ( -0.852 -0.719 -0.260) 1.145 1.588 ( 3.156 -0.681 4.131) 5.243 1.775 ( -3.333 2.732 -1.642) 4.612 1.826 ( -0.109 -2.155 -2.178) 3.066 1.875 ( -0.972 0.475 1.197) 1.614 2.284 ( -13.167 3.985 0.302) 13.760 2.512 ( -0.795 -0.552 0.662) 1.173 2.518 ( 0.857 -0.219 0.292) 0.931 3.045 ( -13.265 -0.180 0.118) 13.267 3.190 ( -4.040 5.908 0.118) 7.158 3.443 ( -5.077 -2.013 0.695) 5.506 4.540 ( 1.823 -0.097 0.008) 1.825 4.756 ( 8.328 -1.549 -0.172) 8.473 5.228 ( 3.678 0.136 -0.234) 3.688 5.388 ( -3.096 0.455 0.002) 3.129 5.428 ( 10.360 -2.458 0.020) 10.647 6.277 ( 1.418 0.373 0.139) 1.473 6.309 ( -6.964 1.328 -0.370) 7.100 6.333 ( 3.665 -1.206 0.171) 3.862 6.647 ( -2.637 0.586 0.746) 2.803 7.156 ( 0.292 -0.199 0.213) 0.413 7.323 ( 3.590 -0.544 -1.053) 3.780 7.672 ( -1.199 0.361 0.927) 1.558 ======================= Grid point 162 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 9.578 0.000 3.053) 10.053 0.730 ( 1.017 0.000 7.509) 7.578 0.916 ( 14.588 -0.000 -2.054) 14.732 1.395 ( -2.736 -0.000 -2.806) 3.919 1.516 ( -1.196 0.000 0.422) 1.268 1.571 ( 2.418 0.000 1.757) 2.989 1.785 ( 0.186 -0.000 -0.902) 0.921 1.829 ( -2.430 -0.000 -1.544) 2.879 1.912 ( -1.875 -0.000 -0.297) 1.898 2.464 ( 2.349 0.000 -0.013) 2.349 2.480 ( -9.409 -0.000 -0.143) 9.410 2.577 ( -3.214 0.000 0.730) 3.296 3.212 ( -8.113 -0.000 0.029) 8.113 3.265 ( -2.512 0.000 0.100) 2.514 3.538 ( -7.019 0.000 0.580) 7.043 4.515 ( 1.217 0.000 0.022) 1.217 4.622 ( 7.595 -0.000 -0.145) 7.597 5.172 ( 3.169 -0.000 -0.193) 3.175 5.262 ( 9.253 0.000 0.014) 9.253 5.432 ( -2.277 -0.000 -0.023) 2.277 6.259 ( 1.206 0.000 0.157) 1.217 6.271 ( 3.495 0.000 0.082) 3.496 6.412 ( -5.580 -0.000 -0.289) 5.588 6.696 ( -2.552 0.000 0.581) 2.617 7.152 ( 0.262 0.000 0.153) 0.303 7.262 ( 3.074 -0.000 -0.500) 3.114 7.693 ( -0.652 0.000 0.526) 0.838 ======================= Grid point 164 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -0.000 6.426 0.000) 6.426 0.704 ( -0.000 17.889 0.000) 17.889 0.874 ( 0.000 -7.603 0.000) 7.603 1.384 ( 0.000 -0.219 0.000) 0.219 1.529 ( 0.000 -0.095 0.000) 0.095 1.598 ( -0.000 4.612 0.000) 4.612 1.786 ( 0.000 -2.013 0.000) 2.013 1.848 ( 0.000 -0.899 0.000) 0.899 1.915 ( 0.000 -1.306 0.000) 1.306 2.439 ( -0.000 1.023 0.000) 1.023 2.565 ( 0.000 -7.707 0.000) 7.707 2.603 ( 0.000 -2.332 0.000) 2.332 3.273 ( 0.000 -3.675 0.000) 3.675 3.299 ( 0.000 -2.801 0.000) 2.801 3.647 ( 0.000 -3.984 0.000) 3.984 4.493 ( -0.000 1.027 0.000) 1.027 4.534 ( -0.000 3.886 0.000) 3.886 5.115 ( -0.000 1.989 0.000) 1.989 5.175 ( -0.000 6.111 0.000) 6.111 5.468 ( 0.000 -0.398 0.000) 0.398 6.216 ( -0.000 0.831 0.000) 0.831 6.255 ( -0.000 1.587 0.000) 1.587 6.467 ( 0.000 -3.847 0.000) 3.847 6.728 ( 0.000 -1.725 0.000) 1.725 7.173 ( -0.000 2.527 0.000) 2.527 7.208 ( -0.000 0.012 0.000) 0.012 7.695 ( 0.000 -1.012 0.000) 1.012 ======================= Grid point 171 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 10.883 -1.946 1.696) 11.185 1.209 ( 8.411 -2.654 0.924) 8.868 1.280 ( -0.848 -0.065 -1.180) 1.454 1.455 ( 0.376 -0.273 1.016) 1.117 1.502 ( -3.312 -0.777 -1.959) 3.926 1.547 ( -1.949 2.778 0.632) 3.452 1.676 ( -2.096 2.199 -0.947) 3.182 1.746 ( -3.753 0.413 0.389) 3.795 1.784 ( -5.003 1.041 -0.515) 5.136 2.196 ( 9.465 -5.552 1.441) 11.068 2.423 ( -1.945 -1.220 0.793) 2.429 2.568 ( -12.137 1.900 0.140) 12.285 2.722 ( 8.678 -0.675 -0.094) 8.705 2.877 ( -5.367 8.813 -0.051) 10.319 3.404 ( -2.877 -4.794 0.316) 5.599 4.591 ( 1.482 1.026 -0.015) 1.802 5.024 ( 4.862 -1.865 -0.152) 5.210 5.245 ( -4.043 0.899 0.068) 4.142 5.309 ( 1.805 1.424 -0.152) 2.304 5.770 ( 5.931 -2.009 0.018) 6.262 6.055 ( -5.484 0.768 -0.159) 5.540 6.303 ( 0.678 0.904 -0.059) 1.132 6.459 ( 2.046 -1.456 0.077) 2.512 6.552 ( -2.111 1.037 0.119) 2.355 7.167 ( 0.332 0.151 0.146) 0.393 7.433 ( 2.351 -0.202 -0.635) 2.444 7.615 ( -1.570 0.307 0.866) 1.819 ======================= Grid point 172 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 13.961 -1.195 1.494) 14.091 1.034 ( 10.747 -4.062 2.024) 11.666 1.284 ( -0.242 -0.779 0.358) 0.891 1.406 ( 5.136 -1.461 -2.423) 5.864 1.494 ( -0.986 -1.640 -0.880) 2.107 1.652 ( -1.413 1.615 0.088) 2.147 1.670 ( -2.331 1.933 -1.024) 3.197 1.789 ( -3.255 -1.150 -0.542) 3.494 1.985 ( 9.496 -3.139 2.058) 10.211 2.022 ( -13.623 5.827 0.295) 14.820 2.464 ( -3.448 -0.308 0.631) 3.518 2.600 ( 6.082 -0.979 -0.078) 6.161 2.816 ( -15.732 0.928 0.141) 15.760 3.044 ( -5.096 9.605 0.034) 10.873 3.413 ( -3.423 -4.176 0.344) 5.411 4.569 ( 1.945 0.295 -0.008) 1.967 4.899 ( 7.674 -2.537 -0.162) 8.084 5.277 ( 3.093 0.593 -0.108) 3.151 5.325 ( -4.166 1.099 0.018) 4.308 5.614 ( 9.719 -3.416 0.020) 10.302 6.177 ( -7.584 1.886 -0.211) 7.818 6.295 ( 1.231 0.626 0.013) 1.381 6.402 ( 3.246 -1.729 0.133) 3.680 6.602 ( -2.683 1.029 0.291) 2.888 7.163 ( 0.314 -0.020 0.133) 0.341 7.377 ( 3.385 -0.761 -0.756) 3.551 7.652 ( -1.555 0.629 0.761) 1.842 ======================= Grid point 173 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 5.528 0.944 2.002) 5.954 0.846 ( 10.887 -2.647 1.359) 11.286 1.174 ( 14.747 -3.089 -0.028) 15.067 1.335 ( -2.402 -0.052 -2.347) 3.359 1.499 ( -1.563 -0.949 -0.154) 1.835 1.631 ( 2.318 -0.590 1.683) 2.924 1.758 ( -3.296 2.556 -0.660) 4.223 1.803 ( -0.168 -1.995 -0.879) 2.187 1.886 ( 0.782 0.200 0.401) 0.902 2.287 ( -12.904 3.912 0.100) 13.484 2.515 ( 3.875 -0.583 0.008) 3.918 2.525 ( -3.718 0.135 0.335) 3.735 3.046 ( -13.177 -0.167 0.045) 13.178 3.191 ( -4.072 5.875 0.047) 7.148 3.450 ( -5.115 -1.824 0.265) 5.437 4.540 ( 1.811 -0.089 0.004) 1.814 4.754 ( 8.319 -1.549 -0.087) 8.462 5.225 ( 3.665 0.043 -0.088) 3.667 5.388 ( -3.103 0.461 0.004) 3.137 5.429 ( 10.408 -2.430 0.007) 10.688 6.278 ( 1.437 0.384 0.059) 1.488 6.305 ( -7.042 1.311 -0.148) 7.165 6.335 ( 3.700 -1.228 0.065) 3.899 6.654 ( -2.790 0.617 0.265) 2.870 7.158 ( 0.305 -0.159 0.079) 0.353 7.312 ( 3.468 -0.555 -0.387) 3.534 7.681 ( -1.045 0.419 0.355) 1.180 ======================= Grid point 174 (75/171) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 9.423 0.000 0.000) 9.423 0.800 ( -4.474 -0.000 0.000) 4.474 0.885 ( 18.550 0.000 0.000) 18.550 1.375 ( -2.972 -0.000 0.000) 2.972 1.519 ( -1.507 -0.000 0.000) 1.507 1.585 ( 3.774 0.000 0.000) 3.774 1.778 ( -0.208 -0.000 0.000) 0.208 1.817 ( -2.325 -0.000 0.000) 2.325 1.910 ( -1.772 -0.000 0.000) 1.772 2.464 ( 2.332 0.000 0.000) 2.332 2.479 ( -9.280 -0.000 0.000) 9.280 2.582 ( -3.162 -0.000 0.000) 3.162 3.212 ( -8.108 -0.000 0.000) 8.108 3.266 ( -2.521 -0.000 0.000) 2.521 3.543 ( -7.005 -0.000 0.000) 7.005 4.515 ( 1.213 0.000 0.000) 1.213 4.621 ( 7.585 0.000 0.000) 7.585 5.171 ( 3.164 0.000 0.000) 3.164 5.262 ( 9.271 0.000 0.000) 9.271 5.432 ( -2.272 -0.000 0.000) 2.272 6.260 ( 1.182 0.000 0.000) 1.182 6.272 ( 3.517 0.000 0.000) 3.517 6.410 ( -5.568 -0.000 0.000) 5.568 6.700 ( -2.508 -0.000 0.000) 2.508 7.153 ( 0.267 0.000 -0.000) 0.267 7.258 ( 2.903 0.000 0.000) 2.903 7.697 ( -0.579 -0.000 0.000) 0.579 ======================= Grid point 182 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -7.481 7.729 0.956) 10.799 1.183 ( -8.427 8.067 -0.087) 11.666 1.276 ( -0.360 0.423 -1.616) 1.708 1.455 ( 0.368 -2.691 -0.601) 2.781 1.492 ( 2.829 -1.728 2.052) 3.898 1.600 ( 5.125 -2.525 1.198) 5.837 1.710 ( 4.362 -1.921 -0.947) 4.860 1.728 ( 3.406 -3.543 0.574) 4.948 1.777 ( 1.284 -1.691 -0.512) 2.184 2.146 ( -12.606 6.307 -0.225) 14.097 2.432 ( 0.627 -1.874 0.304) 2.000 2.594 ( 8.062 -8.702 0.421) 11.870 2.725 ( -4.569 6.587 -0.028) 8.017 2.882 ( 11.350 0.059 -0.038) 11.351 3.407 ( -2.479 -4.647 0.138) 5.268 4.594 ( 0.630 1.758 0.001) 1.868 5.024 ( -4.599 3.018 0.065) 5.501 5.240 ( 2.677 -2.872 -0.082) 3.927 5.307 ( 0.258 2.253 -0.084) 2.269 5.762 ( -5.340 3.850 -0.052) 6.583 6.065 ( 4.153 -4.380 0.090) 6.036 6.298 ( -0.080 1.091 -0.092) 1.097 6.460 ( -2.162 1.408 -0.110) 2.582 6.543 ( 1.079 -1.139 -0.050) 1.570 7.170 ( 0.384 0.426 0.069) 0.578 7.450 ( 0.203 1.049 0.195) 1.086 7.602 ( -0.334 -0.372 0.142) 0.520 ======================= Grid point 183 (77/171) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 12.352 -1.400 0.858) 12.461 1.216 ( 6.357 -1.473 0.096) 6.526 1.267 ( -1.105 -0.223 -0.509) 1.236 1.469 ( 0.549 -0.186 0.661) 0.879 1.482 ( -2.934 -1.764 -0.749) 3.504 1.555 ( -0.762 2.021 0.371) 2.192 1.662 ( -0.149 1.268 -0.718) 1.465 1.757 ( -5.880 1.737 0.997) 6.212 1.773 ( -4.649 0.846 -1.039) 4.838 2.212 ( 8.489 -5.040 0.608) 9.891 2.431 ( -1.726 -0.860 0.291) 1.950 2.569 ( -11.971 2.090 0.040) 12.152 2.721 ( 8.676 -0.743 -0.035) 8.708 2.876 ( -5.378 8.866 -0.017) 10.370 3.407 ( -2.873 -4.635 0.121) 5.454 4.590 ( 1.479 1.011 -0.005) 1.792 5.023 ( 4.954 -1.907 -0.064) 5.308 5.245 ( -4.141 0.889 0.033) 4.235 5.307 ( 1.819 1.367 -0.062) 2.276 5.770 ( 5.892 -2.003 0.007) 6.223 6.054 ( -5.375 0.693 -0.058) 5.420 6.303 ( 0.610 0.873 -0.025) 1.065 6.460 ( 1.926 -1.433 0.029) 2.401 6.553 ( -2.200 1.114 0.046) 2.466 7.168 ( 0.347 0.225 0.055) 0.417 7.427 ( 2.663 -0.402 -0.261) 2.706 7.624 ( -1.656 0.618 0.349) 1.802 ======================= Grid point 184 (78/171) ======================= q-point: (-0.60 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 13.611 -0.810 -0.000) 13.635 1.049 ( 10.594 -3.705 -0.000) 11.223 1.288 ( -2.095 -0.254 0.000) 2.110 1.386 ( 8.354 -2.426 -0.000) 8.699 1.487 ( -1.515 -1.973 -0.000) 2.488 1.656 ( -5.327 4.135 0.000) 6.743 1.660 ( 0.496 -0.169 -0.000) 0.523 1.785 ( -2.847 -1.454 -0.000) 3.197 2.001 ( 10.532 -3.630 -0.000) 11.140 2.024 ( -14.504 6.512 0.000) 15.899 2.468 ( -3.359 -0.064 0.000) 3.360 2.599 ( 6.052 -1.031 -0.000) 6.139 2.817 ( -15.711 0.975 0.000) 15.741 3.044 ( -5.115 9.640 0.000) 10.913 3.415 ( -3.433 -4.081 -0.000) 5.333 4.569 ( 1.940 0.295 0.000) 1.962 4.897 ( 7.675 -2.537 -0.000) 8.083 5.276 ( 3.108 0.531 0.000) 3.153 5.325 ( -4.182 1.099 0.000) 4.324 5.614 ( 9.726 -3.410 -0.000) 10.306 6.175 ( -7.565 1.876 0.000) 7.794 6.295 ( 1.196 0.615 0.000) 1.345 6.403 ( 3.229 -1.737 -0.000) 3.667 6.604 ( -2.773 1.066 0.000) 2.971 7.164 ( 0.322 0.014 -0.000) 0.323 7.371 ( 3.415 -0.797 -0.000) 3.507 7.657 ( -1.500 0.704 0.000) 1.657 ======================= Grid point 193 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -11.986 13.486 0.628) 18.053 0.947 ( -10.340 9.419 -0.726) 14.006 1.269 ( 0.558 -0.745 -0.726) 1.180 1.482 ( 0.693 -1.762 -0.218) 1.906 1.564 ( 1.642 0.046 1.355) 2.130 1.674 ( -8.423 8.349 0.246) 11.862 1.721 ( 2.849 -2.452 0.480) 3.790 1.734 ( 1.977 -2.302 -1.323) 3.310 1.949 ( -1.596 -0.997 1.352) 2.317 1.985 ( 10.746 -8.010 -0.793) 13.427 2.477 ( 2.404 -2.216 0.072) 3.270 2.597 ( -3.859 4.742 -0.003) 6.114 2.826 ( 7.460 -11.178 0.074) 13.439 3.064 ( 12.060 0.678 -0.007) 12.079 3.417 ( -1.264 -4.276 0.022) 4.459 4.579 ( -0.248 2.169 0.008) 2.183 4.887 ( -7.453 4.731 0.011) 8.828 5.276 ( -1.144 2.881 0.015) 3.100 5.324 ( 3.779 -3.020 -0.061) 4.838 5.607 ( -7.905 5.888 -0.007) 9.857 6.193 ( 5.515 -5.421 0.099) 7.734 6.281 ( -0.704 1.164 -0.064) 1.362 6.398 ( -3.105 2.421 -0.083) 3.938 6.575 ( 1.225 -1.424 -0.183) 1.888 7.172 ( 0.478 0.702 0.011) 0.849 7.421 ( -2.147 2.187 0.377) 3.088 7.616 ( 1.085 -0.896 -0.126) 1.413 ======================= Grid point 194 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -7.371 7.113 0.000) 10.243 1.183 ( -8.496 9.156 0.000) 12.491 1.263 ( -0.616 0.421 0.000) 0.746 1.451 ( 0.148 -2.650 -0.000) 2.654 1.508 ( 3.657 -2.103 -0.000) 4.219 1.611 ( 5.069 -2.648 -0.000) 5.719 1.696 ( 1.554 -1.337 -0.000) 2.050 1.738 ( 8.200 -4.643 -0.000) 9.424 1.771 ( -0.566 -0.900 -0.000) 1.064 2.144 ( -12.777 6.424 0.000) 14.301 2.435 ( 0.622 -1.677 -0.000) 1.789 2.597 ( 8.004 -8.585 -0.000) 11.737 2.725 ( -4.556 6.564 0.000) 7.990 2.881 ( 11.370 0.057 -0.000) 11.370 3.408 ( -2.471 -4.562 -0.000) 5.188 4.594 ( 0.631 1.748 0.000) 1.858 5.024 ( -4.572 3.001 0.000) 5.469 5.240 ( 2.657 -2.887 -0.000) 3.923 5.307 ( 0.256 2.243 0.000) 2.258 5.762 ( -5.346 3.835 0.000) 6.579 6.066 ( 4.196 -4.420 -0.000) 6.095 6.297 ( -0.111 1.070 0.000) 1.076 6.459 ( -2.194 1.433 0.000) 2.620 6.542 ( 1.006 -1.086 -0.000) 1.480 7.171 ( 0.386 0.465 0.000) 0.604 7.451 ( 0.488 0.896 0.000) 1.020 7.603 ( -0.497 -0.139 -0.000) 0.516 ======================= Grid point 203 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -9.002 14.501 0.000) 17.068 0.693 ( -10.191 10.563 0.000) 14.678 1.296 ( 1.466 -2.163 -0.000) 2.613 1.301 ( -14.099 19.610 0.000) 24.152 1.509 ( 1.629 -0.582 -0.000) 1.730 1.657 ( 1.995 -2.962 -0.000) 3.571 1.739 ( -0.571 -1.423 -0.000) 1.533 1.791 ( 0.721 -1.854 -0.000) 1.989 2.010 ( 4.457 -4.017 -0.000) 6.000 2.235 ( 9.360 -9.592 -0.000) 13.402 2.511 ( -2.596 3.186 0.000) 4.110 2.540 ( 2.814 -2.218 -0.000) 3.583 3.026 ( 5.860 -9.976 -0.000) 11.570 3.215 ( 6.554 -0.656 -0.000) 6.587 3.460 ( 2.809 -3.452 -0.000) 4.450 4.550 ( -0.915 2.021 0.000) 2.218 4.728 ( -6.634 5.332 0.000) 8.512 5.223 ( -2.052 3.003 0.000) 3.637 5.400 ( 2.951 -2.058 -0.000) 3.598 5.429 ( -7.151 7.011 0.000) 10.015 6.257 ( -1.024 1.095 0.000) 1.499 6.322 ( 4.541 -5.508 -0.000) 7.139 6.327 ( -2.857 2.671 0.000) 3.911 6.601 ( 0.800 -1.194 -0.000) 1.437 7.173 ( 0.735 0.979 0.000) 1.224 7.359 ( -3.055 2.537 0.000) 3.971 7.642 ( 1.215 -0.844 -0.000) 1.479 ======================= Grid point 213 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -0.000 16.290 0.000) 16.290 0.502 ( -0.000 13.786 0.000) 13.786 1.053 ( -0.000 27.349 0.000) 27.349 1.323 ( 0.000 -3.428 -0.000) 3.428 1.573 ( 0.000 -0.711 -0.000) 0.711 1.676 ( 0.000 -3.622 -0.000) 3.622 1.700 ( 0.000 -0.152 -0.000) 0.152 1.784 ( 0.000 -0.239 -0.000) 0.239 2.125 ( 0.000 -5.921 -0.000) 5.921 2.385 ( 0.000 -10.333 -0.000) 10.333 2.466 ( -0.000 2.345 0.000) 2.345 2.584 ( 0.000 -3.467 -0.000) 3.467 3.173 ( 0.000 -6.366 -0.000) 6.366 3.213 ( 0.000 -6.912 -0.000) 6.912 3.574 ( 0.000 -2.397 -0.000) 2.397 4.517 ( -0.000 1.435 0.000) 1.435 4.631 ( -0.000 6.903 0.000) 6.903 5.166 ( -0.000 3.054 0.000) 3.054 5.322 ( -0.000 9.054 0.000) 9.054 5.452 ( 0.000 -1.582 -0.000) 1.582 6.234 ( -0.000 1.305 0.000) 1.305 6.280 ( -0.000 3.133 0.000) 3.133 6.396 ( 0.000 -6.372 -0.000) 6.372 6.613 ( 0.000 -1.210 -0.000) 1.210 7.199 ( -0.000 0.122 0.000) 0.122 7.292 ( -0.000 4.121 0.000) 4.121 7.663 ( 0.000 -0.876 -0.000) 0.876 ======================= Grid point 214 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -3.409 17.082 0.155) 17.419 0.675 ( -5.637 12.636 0.929) 13.868 1.290 ( -0.002 0.365 -0.383) 0.529 1.351 ( -5.718 20.950 2.233) 21.831 1.538 ( 2.521 -1.441 0.368) 2.927 1.626 ( -0.094 -3.960 -3.160) 5.067 1.722 ( -0.942 -1.638 2.633) 3.241 1.781 ( -0.009 -0.586 -0.427) 0.725 2.030 ( 3.879 -5.445 -1.673) 6.892 2.246 ( 4.466 -11.901 -0.167) 12.712 2.507 ( -1.876 3.532 0.002) 4.000 2.542 ( 1.207 -3.591 -0.207) 3.794 3.031 ( 6.227 -9.664 -0.041) 11.497 3.199 ( -3.450 -6.295 -0.066) 7.179 3.509 ( 5.504 -1.931 -0.030) 5.833 4.546 ( -1.712 1.637 0.005) 2.369 4.716 ( -2.435 7.338 0.078) 7.732 5.216 ( -2.358 3.089 -0.048) 3.886 5.418 ( 1.600 -1.676 -0.119) 2.320 5.427 ( -2.367 8.480 0.165) 8.806 6.254 ( -0.866 1.392 0.041) 1.639 6.318 ( 2.026 -6.287 -0.185) 6.608 6.322 ( -1.145 3.074 0.130) 3.283 6.600 ( 0.416 -1.528 0.477) 1.654 7.193 ( 0.741 0.449 0.034) 0.867 7.346 ( -1.962 3.865 -0.483) 4.361 7.648 ( 0.707 -1.138 -0.005) 1.340 ======================= Grid point 215 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -6.541 15.563 -1.033) 16.913 0.900 ( -8.065 11.489 1.096) 14.080 1.280 ( 0.485 -0.640 1.527) 1.725 1.489 ( 1.807 -1.602 0.371) 2.443 1.561 ( 1.024 -3.370 -2.551) 4.349 1.646 ( -6.921 13.497 -0.018) 15.168 1.723 ( 0.328 -2.843 1.845) 3.405 1.757 ( 2.165 -1.385 -0.542) 2.626 1.924 ( 1.641 -1.103 -1.687) 2.599 2.044 ( 7.162 -11.228 -0.334) 13.322 2.481 ( 1.999 -3.708 -0.390) 4.231 2.588 ( -3.417 5.362 -0.037) 6.358 2.832 ( 6.828 -11.136 -0.128) 13.063 3.179 ( 0.719 -4.000 -0.111) 4.066 3.388 ( 5.851 -3.637 -0.063) 6.889 4.590 ( -1.409 2.123 0.008) 2.548 4.837 ( -4.917 6.401 0.014) 8.071 5.281 ( -2.147 3.165 -0.054) 3.825 5.351 ( 3.333 -3.341 0.064) 4.720 5.566 ( -5.007 7.844 0.073) 9.306 6.209 ( 3.744 -6.539 -0.191) 7.538 6.282 ( -0.950 1.511 0.148) 1.791 6.381 ( -2.161 3.168 0.113) 3.837 6.579 ( 0.868 -1.792 0.463) 2.044 7.187 ( 0.658 0.519 -0.015) 0.838 7.407 ( -2.207 3.357 -0.837) 4.104 7.622 ( 1.075 -1.508 0.008) 1.852 ======================= Grid point 216 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -8.063 10.723 -1.035) 13.456 1.134 ( -8.082 10.947 -0.451) 13.615 1.291 ( -0.182 0.383 2.567) 2.602 1.456 ( 1.319 -1.803 0.787) 2.369 1.490 ( 1.763 -2.912 -2.911) 4.479 1.652 ( 5.460 -2.699 -1.057) 6.182 1.707 ( 0.135 -3.491 1.164) 3.682 1.729 ( 0.520 -1.759 -2.104) 2.791 1.824 ( 7.017 -7.457 -0.458) 10.250 2.050 ( -8.365 9.567 0.659) 12.725 2.416 ( 1.302 -3.544 -0.712) 3.842 2.615 ( 6.546 -9.977 -0.352) 11.938 2.719 ( -4.388 7.149 -0.013) 8.388 3.073 ( 10.534 0.195 -0.026) 10.536 3.302 ( -1.834 -7.803 -0.259) 8.020 4.621 ( 0.008 2.260 0.030) 2.260 4.974 ( -5.767 4.908 -0.074) 7.573 5.261 ( 3.788 -3.962 0.101) 5.483 5.332 ( -0.643 2.923 0.082) 2.994 5.716 ( -5.885 6.014 0.110) 8.415 6.086 ( 4.512 -6.046 -0.141) 7.546 6.309 ( -0.420 1.547 0.226) 1.619 6.442 ( -2.213 2.237 0.125) 3.149 6.548 ( 1.155 -1.820 0.212) 2.166 7.181 ( 0.582 0.392 -0.126) 0.713 7.457 ( -1.165 2.728 -0.860) 3.088 7.593 ( 0.543 -1.787 -0.112) 1.871 ======================= Grid point 217 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 1.569 2.172 -1.467) 3.055 1.290 ( 0.665 2.953 0.642) 3.095 1.305 ( 2.820 0.999 -1.163) 3.210 1.439 ( -1.066 -0.187 -0.344) 1.136 1.447 ( -3.330 0.230 0.729) 3.417 1.565 ( 2.618 -0.410 -0.010) 2.650 1.645 ( -1.253 -1.078 -2.314) 2.843 1.705 ( -2.383 -2.562 1.226) 3.707 1.745 ( 0.387 -1.629 0.058) 1.675 2.232 ( -1.903 2.820 -0.295) 3.415 2.376 ( -0.604 -2.697 -1.169) 3.001 2.448 ( -0.162 -5.561 -0.770) 5.616 2.867 ( 0.142 4.893 0.060) 4.896 2.903 ( 6.824 5.548 0.012) 8.795 3.279 ( -4.640 -8.618 -0.459) 9.799 4.628 ( 1.442 1.684 0.058) 2.218 5.068 ( 0.298 1.926 -0.004) 1.949 5.193 ( -1.211 -2.328 0.094) 2.626 5.353 ( 1.178 2.165 0.195) 2.472 5.825 ( 0.201 2.861 0.088) 2.869 5.989 ( -0.823 -3.675 0.051) 3.766 6.324 ( 0.407 1.316 0.206) 1.393 6.473 ( 0.699 -0.191 0.093) 0.731 6.530 ( -1.078 -0.162 -0.096) 1.094 7.174 ( 0.539 0.195 -0.241) 0.622 7.472 ( 1.424 1.357 0.159) 1.974 7.581 ( -1.424 -1.099 -0.988) 2.052 ======================= Grid point 218 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 11.352 -0.920 -3.008) 11.780 1.122 ( 13.724 -2.644 -2.667) 14.229 1.298 ( 0.719 0.109 0.930) 1.181 1.449 ( -1.049 -0.027 0.869) 1.362 1.520 ( 0.630 -0.421 2.316) 2.437 1.621 ( -7.571 3.493 0.913) 8.388 1.712 ( -3.515 -0.094 1.150) 3.699 1.732 ( -0.022 -0.908 0.556) 1.065 1.820 ( -13.204 2.112 -1.500) 13.455 2.080 ( 13.041 -3.141 -2.394) 13.626 2.373 ( -3.015 -1.459 -1.778) 3.792 2.582 ( -14.048 0.380 -0.467) 14.061 2.720 ( 9.541 -0.024 0.244) 9.544 3.051 ( -4.807 8.866 -0.040) 10.085 3.279 ( -5.359 -7.188 -0.681) 8.992 4.609 ( 2.362 0.710 0.055) 2.467 4.997 ( 6.600 -1.068 0.191) 6.689 5.258 ( -5.322 0.451 -0.026) 5.341 5.338 ( 2.739 1.049 0.289) 2.948 5.736 ( 8.767 -1.273 -0.032) 8.859 6.072 ( -8.039 0.466 0.321) 8.059 6.322 ( 1.207 0.748 0.089) 1.423 6.433 ( 2.796 -0.932 -0.120) 2.949 6.563 ( -2.303 0.411 -0.267) 2.354 7.165 ( 0.494 0.018 -0.312) 0.585 7.446 ( 2.962 0.128 1.119) 3.169 7.597 ( -2.292 -0.175 -1.578) 2.788 ======================= Grid point 219 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 16.094 -0.000 -3.058) 16.382 0.886 ( 11.919 -0.000 -3.686) 12.477 1.281 ( 2.166 0.000 0.803) 2.310 1.492 ( -2.473 0.000 2.737) 3.689 1.515 ( 0.934 0.000 0.889) 1.290 1.651 ( 12.363 0.000 0.823) 12.390 1.761 ( -6.001 0.000 2.046) 6.340 1.784 ( -4.645 -0.000 -1.441) 4.863 1.879 ( 4.871 -0.000 -0.991) 4.970 2.059 ( -16.058 -0.000 -1.156) 16.100 2.411 ( -4.295 -0.000 -1.905) 4.699 2.598 ( 6.489 0.000 0.251) 6.494 2.813 ( -15.475 -0.000 -0.342) 15.479 3.162 ( -3.759 -0.000 -0.001) 3.759 3.323 ( -5.751 -0.000 -0.875) 5.817 4.574 ( 2.477 0.000 0.020) 2.477 4.879 ( 7.972 0.000 0.119) 7.973 5.295 ( 3.652 0.000 0.334) 3.667 5.334 ( -4.222 -0.000 0.005) 4.222 5.578 ( 10.315 0.000 -0.062) 10.315 6.204 ( -8.095 0.000 0.399) 8.105 6.303 ( 1.659 -0.000 -0.061) 1.660 6.379 ( 3.440 -0.000 -0.194) 3.446 6.596 ( -2.101 -0.000 -0.590) 2.183 7.155 ( 0.426 -0.000 -0.312) 0.528 7.405 ( 3.486 0.000 1.354) 3.739 7.620 ( -2.110 -0.000 -1.391) 2.527 ======================= Grid point 224 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -0.000 14.506 2.589) 14.736 0.520 ( -0.000 13.260 2.416) 13.478 1.066 ( -0.000 25.889 1.586) 25.938 1.350 ( 0.000 -3.602 3.541) 5.051 1.579 ( 0.000 -0.595 0.798) 0.995 1.612 ( -0.000 -1.758 -5.425) 5.703 1.755 ( 0.000 -1.971 4.115) 4.562 1.780 ( 0.000 -0.487 -0.575) 0.754 2.091 ( 0.000 -4.782 -4.497) 6.564 2.385 ( 0.000 -10.697 0.065) 10.697 2.466 ( -0.000 2.365 0.062) 2.366 2.581 ( 0.000 -3.489 -0.490) 3.524 3.174 ( 0.000 -6.373 0.081) 6.373 3.212 ( 0.000 -7.046 -0.143) 7.048 3.574 ( 0.000 -2.451 -0.051) 2.452 4.517 ( -0.000 1.446 0.005) 1.446 4.633 ( -0.000 6.794 0.231) 6.798 5.166 ( -0.000 3.056 -0.046) 3.056 5.321 ( -0.000 9.091 -0.063) 9.091 5.452 ( 0.000 -1.549 0.048) 1.550 6.234 ( -0.000 1.308 0.028) 1.308 6.282 ( -0.000 3.115 0.208) 3.122 6.394 ( 0.000 -6.343 -0.314) 6.350 6.624 ( 0.000 -1.668 1.367) 2.156 7.199 ( -0.000 0.112 0.126) 0.168 7.284 ( -0.000 4.303 -1.046) 4.428 7.664 ( 0.000 -0.968 0.051) 0.969 ======================= Grid point 225 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -2.781 15.103 0.841) 15.380 0.699 ( -5.399 12.029 2.422) 13.406 1.285 ( -1.467 6.922 -0.401) 7.087 1.403 ( -3.903 12.343 4.598) 13.738 1.537 ( 2.001 -1.408 -1.926) 3.114 1.579 ( 0.160 -1.948 -1.516) 2.474 1.766 ( -0.407 -2.873 2.912) 4.111 1.770 ( -0.086 -0.719 -0.893) 1.150 1.986 ( 3.360 -4.314 -4.188) 6.887 2.241 ( 4.423 -12.428 -0.591) 13.205 2.507 ( -1.783 3.573 0.029) 3.993 2.536 ( 1.055 -3.720 -0.588) 3.911 3.030 ( 6.218 -9.806 -0.100) 11.612 3.197 ( -3.516 -6.420 -0.163) 7.322 3.509 ( 5.445 -1.993 -0.048) 5.798 4.546 ( -1.695 1.661 0.013) 2.373 4.717 ( -2.402 7.225 0.101) 7.615 5.215 ( -2.320 3.127 -0.105) 3.895 5.417 ( 0.822 0.099 -0.092) 0.833 5.430 ( -1.616 6.775 0.201) 6.968 6.255 ( -0.931 1.392 0.104) 1.678 6.313 ( 1.958 -6.194 -0.364) 6.506 6.325 ( -1.073 3.004 0.229) 3.198 6.612 ( 0.597 -1.924 1.134) 2.311 7.194 ( 0.805 0.442 0.086) 0.923 7.333 ( -2.018 3.891 -1.185) 4.540 7.648 ( 0.600 -1.336 -0.006) 1.465 ======================= Grid point 226 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -5.840 14.672 -1.466) 15.859 0.922 ( -7.803 10.372 1.848) 13.111 1.309 ( 0.154 0.229 2.354) 2.370 1.481 ( 0.934 -1.615 -2.316) 2.974 1.533 ( 1.543 -2.070 -0.501) 2.630 1.645 ( -5.055 9.267 -0.226) 10.559 1.736 ( 2.491 -2.084 -0.711) 3.325 1.761 ( 0.426 -2.800 1.511) 3.211 1.897 ( 0.078 1.177 -1.760) 2.119 2.036 ( 6.473 -11.315 -0.944) 13.070 2.473 ( 1.945 -3.908 -0.723) 4.425 2.587 ( -3.381 5.367 -0.032) 6.343 2.830 ( 6.820 -11.239 -0.185) 13.148 3.177 ( 0.551 -4.175 -0.180) 4.215 3.387 ( 5.957 -3.634 -0.080) 6.978 4.590 ( -1.390 2.168 0.014) 2.575 4.837 ( -4.852 6.368 -0.033) 8.006 5.280 ( -2.207 3.188 -0.048) 3.878 5.353 ( 3.273 -3.333 0.076) 4.672 5.567 ( -4.970 7.905 0.112) 9.339 6.206 ( 3.692 -6.445 -0.304) 7.434 6.285 ( -0.993 1.534 0.232) 1.842 6.383 ( -2.163 3.090 0.182) 3.776 6.587 ( 1.123 -2.069 0.716) 2.461 7.187 ( 0.736 0.481 -0.029) 0.879 7.391 ( -2.296 3.316 -1.327) 4.246 7.622 ( 0.892 -1.782 0.018) 1.992 ======================= Grid point 227 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -8.427 12.416 -2.462) 15.206 1.137 ( -7.152 8.034 0.777) 10.784 1.333 ( 0.079 0.475 2.893) 2.933 1.440 ( 0.376 -1.462 -2.565) 2.976 1.479 ( 2.480 -2.825 1.366) 4.000 1.634 ( 4.646 -1.677 -1.566) 5.182 1.688 ( 1.045 -2.795 -2.756) 4.062 1.727 ( -0.086 -4.153 0.881) 4.246 1.812 ( 5.584 -7.254 -1.270) 9.242 2.063 ( -8.002 8.924 1.109) 12.037 2.403 ( 1.383 -3.790 -1.014) 4.160 2.610 ( 6.859 -9.979 -0.398) 12.115 2.719 ( -4.443 7.070 0.009) 8.350 3.073 ( 10.363 0.118 -0.032) 10.363 3.297 ( -1.670 -7.841 -0.301) 8.023 4.622 ( 0.018 2.323 0.037) 2.323 4.972 ( -5.711 4.953 -0.110) 7.560 5.263 ( 3.704 -3.984 0.131) 5.442 5.334 ( -0.730 2.939 0.100) 3.030 5.718 ( -5.879 6.072 0.133) 8.453 6.083 ( 4.449 -5.931 -0.175) 7.416 6.313 ( -0.373 1.600 0.265) 1.665 6.444 ( -2.255 2.142 0.160) 3.114 6.552 ( 1.430 -2.008 0.262) 2.479 7.179 ( 0.641 0.323 -0.159) 0.736 7.442 ( -1.677 2.826 -1.170) 3.488 7.591 ( 0.663 -2.174 -0.030) 2.273 ======================= Grid point 228 (93/171) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 3.639 1.036 -1.206) 3.971 1.262 ( 1.275 3.584 -2.626) 4.623 1.312 ( 1.687 -0.034 0.074) 1.689 1.432 ( -1.798 0.102 0.761) 1.955 1.479 ( -4.367 0.593 2.863) 5.256 1.568 ( 2.724 -0.475 0.285) 2.780 1.608 ( -2.653 -0.333 -2.774) 3.853 1.714 ( -2.714 -3.420 -0.233) 4.372 1.743 ( -0.127 -0.990 -0.135) 1.007 2.230 ( -0.537 1.924 0.084) 1.999 2.357 ( -0.381 -2.989 -1.400) 3.323 2.437 ( -0.332 -5.393 -0.749) 5.455 2.868 ( -0.380 5.079 0.056) 5.093 2.903 ( 7.206 5.277 0.033) 8.932 3.272 ( -4.560 -8.732 -0.446) 9.861 4.629 ( 1.462 1.736 0.059) 2.271 5.068 ( 0.068 2.045 -0.020) 2.047 5.194 ( -1.043 -2.421 0.105) 2.638 5.356 ( 1.122 2.210 0.197) 2.486 5.826 ( 0.369 2.805 0.085) 2.830 5.990 ( -1.081 -3.494 0.060) 3.658 6.327 ( 0.516 1.356 0.180) 1.462 6.474 ( 0.872 -0.267 0.102) 0.918 6.529 ( -0.990 -0.252 -0.088) 1.026 7.170 ( 0.563 0.115 -0.246) 0.625 7.472 ( 0.296 1.995 -0.171) 2.024 7.569 ( -0.750 -1.912 -0.665) 2.159 ======================= Grid point 229 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 11.310 -1.943 -2.128) 11.671 1.085 ( 14.183 -2.620 -2.289) 14.603 1.302 ( 0.956 0.268 -0.212) 1.015 1.477 ( -1.882 0.173 2.825) 3.399 1.542 ( 1.555 0.142 0.781) 1.746 1.644 ( -8.462 3.185 2.182) 9.301 1.705 ( -5.055 0.071 -1.634) 5.313 1.751 ( -0.650 0.060 1.574) 1.704 1.796 ( -12.793 1.472 -1.901) 13.017 2.051 ( 14.435 -3.672 -1.466) 14.967 2.348 ( -2.931 -1.803 -1.612) 3.800 2.576 ( -14.143 0.295 -0.400) 14.152 2.723 ( 9.485 0.034 0.206) 9.487 3.050 ( -4.805 8.925 -0.031) 10.136 3.270 ( -5.266 -7.433 -0.540) 9.125 4.610 ( 2.395 0.729 0.046) 2.504 4.999 ( 6.570 -1.069 0.127) 6.658 5.257 ( -5.313 0.466 -0.004) 5.333 5.342 ( 2.708 1.109 0.234) 2.936 5.735 ( 8.792 -1.283 -0.025) 8.886 6.076 ( -8.127 0.510 0.271) 8.148 6.323 ( 1.324 0.754 0.043) 1.524 6.432 ( 2.919 -0.931 -0.097) 3.066 6.559 ( -2.104 0.357 -0.205) 2.144 7.160 ( 0.493 -0.037 -0.260) 0.558 7.461 ( 2.577 0.392 0.872) 2.749 7.576 ( -2.320 -0.502 -1.246) 2.681 ======================= Grid point 230 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 17.054 -0.000 -1.903) 17.160 0.843 ( 12.466 -0.000 -2.198) 12.659 1.292 ( 0.506 0.000 0.660) 0.832 1.521 ( 1.239 0.000 1.394) 1.865 1.524 ( 1.399 0.000 0.341) 1.440 1.668 ( 13.232 0.000 1.400) 13.306 1.746 ( -3.237 -0.000 -3.042) 4.442 1.787 ( -5.870 0.000 1.512) 6.062 1.882 ( 0.242 0.000 0.837) 0.871 2.043 ( -16.868 -0.000 -0.883) 16.891 2.387 ( -4.398 -0.000 -1.324) 4.593 2.601 ( 6.541 0.000 0.164) 6.543 2.809 ( -15.619 -0.000 -0.218) 15.620 3.162 ( -3.695 -0.000 0.007) 3.695 3.313 ( -5.698 -0.000 -0.542) 5.724 4.574 ( 2.505 0.000 0.013) 2.505 4.880 ( 8.079 0.000 0.029) 8.079 5.299 ( 3.630 0.000 0.211) 3.636 5.335 ( -4.242 -0.000 0.014) 4.243 5.577 ( 10.330 0.000 -0.039) 10.330 6.209 ( -8.153 0.000 0.262) 8.157 6.302 ( 1.763 -0.000 -0.063) 1.764 6.376 ( 3.470 -0.000 -0.119) 3.472 6.589 ( -1.750 -0.000 -0.377) 1.790 7.151 ( 0.417 -0.000 -0.200) 0.463 7.421 ( 3.372 0.000 0.853) 3.478 7.604 ( -2.307 -0.000 -0.861) 2.462 ======================= Grid point 231 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 17.409 0.000 0.000) 17.409 0.827 ( 12.704 0.000 0.000) 12.704 1.298 ( -0.591 -0.000 -0.000) 0.591 1.526 ( 1.516 0.000 0.000) 1.516 1.532 ( 5.676 0.000 0.000) 5.676 1.682 ( 10.723 0.000 0.000) 10.723 1.719 ( -2.878 -0.000 -0.000) 2.878 1.799 ( -5.659 -0.000 -0.000) 5.659 1.890 ( -1.032 -0.000 -0.000) 1.032 2.036 ( -17.289 -0.000 -0.000) 17.289 2.377 ( -4.438 -0.000 -0.000) 4.438 2.603 ( 6.557 0.000 0.000) 6.557 2.807 ( -15.675 -0.000 -0.000) 15.675 3.162 ( -3.670 -0.000 -0.000) 3.670 3.309 ( -5.678 -0.000 -0.000) 5.678 4.574 ( 2.515 0.000 0.000) 2.515 4.880 ( 8.135 0.000 0.000) 8.135 5.300 ( 3.621 0.000 0.000) 3.621 5.335 ( -4.250 -0.000 -0.000) 4.250 5.577 ( 10.337 0.000 0.000) 10.337 6.211 ( -8.182 -0.000 -0.000) 8.182 6.301 ( 1.808 0.000 0.000) 1.808 6.376 ( 3.481 0.000 0.000) 3.481 6.586 ( -1.602 -0.000 -0.000) 1.602 7.150 ( 0.415 0.000 0.000) 0.415 7.428 ( 3.320 0.000 0.000) 3.320 7.597 ( -2.383 -0.000 -0.000) 2.383 ======================= Grid point 235 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -0.000 9.953 5.008) 11.142 0.567 ( -0.000 12.039 3.950) 12.670 1.088 ( -0.000 22.266 1.231) 22.300 1.415 ( 0.000 -2.928 5.185) 5.955 1.533 ( -0.000 -1.175 -5.537) 5.660 1.592 ( 0.000 0.160 0.903) 0.917 1.771 ( 0.000 -1.197 -0.620) 1.348 1.807 ( 0.000 -2.433 3.217) 4.034 2.010 ( -0.000 -2.843 -6.370) 6.975 2.385 ( 0.000 -11.558 -0.207) 11.559 2.468 ( -0.000 2.419 0.101) 2.422 2.571 ( 0.000 -3.547 -0.794) 3.635 3.175 ( 0.000 -6.391 0.130) 6.392 3.209 ( 0.000 -7.386 -0.210) 7.389 3.573 ( 0.000 -2.631 0.013) 2.631 4.517 ( -0.000 1.476 0.008) 1.476 4.636 ( -0.000 6.690 0.079) 6.691 5.165 ( -0.000 3.060 -0.075) 3.061 5.321 ( -0.000 9.184 -0.029) 9.184 5.453 ( 0.000 -1.486 0.027) 1.486 6.234 ( -0.000 1.316 0.045) 1.316 6.286 ( -0.000 3.070 0.338) 3.089 6.388 ( 0.000 -6.279 -0.481) 6.297 6.647 ( 0.000 -2.353 1.690) 2.897 7.202 ( 0.000 0.085 0.204) 0.221 7.266 ( -0.000 4.441 -1.351) 4.642 7.665 ( 0.000 -1.218 0.107) 1.222 ======================= Grid point 236 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -1.730 11.341 1.763) 11.607 0.741 ( -5.000 11.029 3.219) 12.530 1.276 ( -2.322 10.094 -0.834) 10.391 1.464 ( -1.446 4.776 1.154) 5.122 1.486 ( -0.363 -0.095 -1.527) 1.573 1.592 ( 1.250 0.518 2.273) 2.645 1.756 ( -0.017 -1.068 -0.936) 1.421 1.804 ( -0.123 -3.291 2.310) 4.023 1.919 ( 2.512 -2.669 -4.884) 6.106 2.229 ( 4.335 -13.376 -1.077) 14.102 2.508 ( -1.658 3.617 0.066) 3.979 2.526 ( 0.886 -3.879 -0.799) 4.059 3.028 ( 6.191 -10.035 -0.115) 11.792 3.194 ( -3.599 -6.609 -0.187) 7.528 3.508 ( 5.384 -2.095 -0.010) 5.777 4.546 ( -1.667 1.700 0.016) 2.381 4.718 ( -2.382 7.165 -0.036) 7.551 5.213 ( -2.291 3.166 -0.099) 3.910 5.416 ( 0.682 0.420 0.049) 0.802 5.432 ( -1.501 6.561 0.067) 6.731 6.256 ( -1.035 1.396 0.125) 1.743 6.308 ( 2.027 -6.397 -0.413) 6.723 6.328 ( -1.128 3.224 0.261) 3.426 6.630 ( 0.813 -2.363 1.215) 2.779 7.195 ( 0.912 0.438 0.097) 1.016 7.314 ( -2.070 3.793 -1.330) 4.521 7.648 ( 0.435 -1.664 0.004) 1.720 ======================= Grid point 237 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -5.071 12.615 -1.374) 13.666 0.951 ( -7.354 9.425 2.235) 12.161 1.342 ( -0.316 2.005 2.026) 2.868 1.434 ( 0.038 -0.989 -3.478) 3.616 1.539 ( 1.199 0.183 0.669) 1.385 1.640 ( -1.872 2.284 -0.336) 2.972 1.719 ( 3.013 -1.277 -1.460) 3.583 1.779 ( 0.685 -4.471 0.715) 4.579 1.885 ( -2.278 4.223 0.308) 4.808 2.017 ( 5.657 -11.541 -1.577) 12.949 2.461 ( 1.925 -4.096 -0.833) 4.602 2.587 ( -3.329 5.357 -0.007) 6.307 2.827 ( 6.800 -11.350 -0.159) 13.232 3.174 ( 0.352 -4.391 -0.180) 4.409 3.386 ( 6.104 -3.614 -0.052) 7.094 4.590 ( -1.367 2.223 0.013) 2.610 4.836 ( -4.797 6.386 -0.094) 7.988 5.280 ( -2.302 3.220 -0.007) 3.959 5.353 ( 3.222 -3.347 0.049) 4.646 5.569 ( -4.931 7.983 0.104) 9.384 6.201 ( 3.637 -6.338 -0.299) 7.314 6.289 ( -1.046 1.566 0.224) 1.897 6.386 ( -2.170 2.991 0.180) 3.700 6.598 ( 1.405 -2.356 0.679) 2.827 7.186 ( 0.829 0.435 -0.035) 0.937 7.372 ( -2.368 3.217 -1.296) 4.200 7.623 ( 0.655 -2.114 0.023) 2.213 ======================= Grid point 238 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -8.690 12.038 -2.178) 15.006 1.152 ( -6.356 6.860 1.229) 9.432 1.348 ( 1.443 -0.260 -1.289) 1.952 1.433 ( -1.052 0.296 2.207) 2.462 1.502 ( 2.467 -2.930 1.682) 4.184 1.603 ( 2.450 -0.676 -2.882) 3.842 1.655 ( 2.477 -3.291 -1.637) 4.432 1.737 ( -0.221 -4.439 0.546) 4.478 1.790 ( 4.720 -8.003 -1.744) 9.453 2.080 ( -7.795 8.128 1.113) 11.317 2.389 ( 1.552 -3.984 -0.950) 4.380 2.605 ( 7.146 -9.955 -0.293) 12.258 2.719 ( -4.479 6.968 0.026) 8.283 3.072 ( 10.177 0.034 -0.026) 10.177 3.294 ( -1.483 -7.858 -0.228) 8.000 4.622 ( 0.028 2.385 0.030) 2.385 4.971 ( -5.664 5.020 -0.102) 7.569 5.265 ( 3.628 -4.036 0.111) 5.428 5.335 ( -0.825 2.979 0.080) 3.092 5.720 ( -5.876 6.129 0.105) 8.492 6.081 ( 4.383 -5.817 -0.142) 7.285 6.316 ( -0.320 1.647 0.203) 1.690 6.446 ( -2.304 2.047 0.134) 3.085 6.555 ( 1.702 -2.181 0.213) 2.774 7.177 ( 0.698 0.253 -0.132) 0.754 7.425 ( -2.041 2.826 -1.012) 3.629 7.592 ( 0.645 -2.473 0.042) 2.556 ======================= Grid point 239 (101/171) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 4.832 -0.032 -0.399) 4.849 1.228 ( 1.468 2.945 -1.971) 3.836 1.304 ( 0.520 0.617 -0.869) 1.186 1.458 ( -2.001 0.697 2.445) 3.236 1.522 ( -3.486 -0.312 2.772) 4.465 1.559 ( -1.903 -1.079 -2.025) 2.981 1.579 ( -0.246 1.625 -0.461) 1.707 1.697 ( -1.460 -3.233 -1.801) 3.979 1.745 ( -1.954 -1.558 0.266) 2.513 2.234 ( 0.556 1.280 0.383) 1.447 2.338 ( -0.288 -3.285 -1.103) 3.477 2.428 ( -0.411 -5.288 -0.453) 5.323 2.869 ( -0.787 5.219 0.033) 5.278 2.904 ( 7.499 5.065 0.030) 9.050 3.267 ( -4.490 -8.814 -0.268) 9.895 4.630 ( 1.477 1.779 0.037) 2.313 5.068 ( -0.100 2.140 -0.019) 2.142 5.195 ( -0.927 -2.492 0.071) 2.660 5.358 ( 1.081 2.250 0.123) 2.499 5.827 ( 0.505 2.757 0.050) 2.803 5.990 ( -1.298 -3.345 0.042) 3.589 6.329 ( 0.607 1.377 0.098) 1.508 6.476 ( 1.025 -0.332 0.067) 1.080 6.528 ( -0.930 -0.312 -0.049) 0.982 7.167 ( 0.583 0.048 -0.155) 0.605 7.468 ( -0.673 2.394 -0.313) 2.506 7.563 ( -0.147 -2.454 -0.208) 2.467 ======================= Grid point 240 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 11.325 -2.732 -0.739) 11.673 1.061 ( 14.428 -2.432 -0.922) 14.661 1.297 ( 0.662 0.354 -0.247) 0.790 1.516 ( -1.955 0.468 1.984) 2.824 1.547 ( 1.317 0.526 0.086) 1.421 1.672 ( -5.310 1.875 0.619) 5.666 1.681 ( -6.211 1.235 -0.554) 6.357 1.762 ( -11.799 1.974 -0.467) 11.972 1.776 ( -4.241 -0.433 -0.212) 4.269 2.038 ( 15.076 -3.961 -0.392) 15.593 2.331 ( -2.882 -2.053 -0.672) 3.602 2.572 ( -14.207 0.248 -0.158) 14.210 2.725 ( 9.450 0.071 0.081) 9.451 3.050 ( -4.805 8.961 -0.012) 10.168 3.264 ( -5.205 -7.583 -0.203) 9.200 4.611 ( 2.415 0.740 0.018) 2.526 5.001 ( 6.564 -1.071 0.042) 6.651 5.257 ( -5.310 0.473 0.003) 5.331 5.345 ( 2.692 1.151 0.090) 2.929 5.735 ( 8.807 -1.290 -0.009) 8.901 6.079 ( -8.184 0.538 0.106) 8.203 6.323 ( 1.396 0.750 0.009) 1.585 6.431 ( 2.997 -0.927 -0.037) 3.138 6.557 ( -1.975 0.326 -0.075) 2.003 7.158 ( 0.493 -0.073 -0.101) 0.509 7.470 ( 2.274 0.639 0.316) 2.383 7.564 ( -2.278 -0.788 -0.459) 2.454 ======================= Grid point 246 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -0.000 10.768 4.123) 11.530 0.628 ( -0.000 4.418 6.261) 7.663 1.093 ( -0.000 18.813 -0.704) 18.826 1.458 ( -0.000 -0.743 -4.839) 4.896 1.486 ( 0.000 -1.570 4.262) 4.542 1.607 ( -0.000 1.823 1.533) 2.382 1.764 ( 0.000 -1.850 -0.353) 1.883 1.846 ( 0.000 -2.712 2.187) 3.484 1.921 ( -0.000 -1.709 -5.823) 6.069 2.379 ( 0.000 -12.617 -0.566) 12.629 2.469 ( -0.000 2.486 0.101) 2.488 2.559 ( 0.000 -3.619 -0.797) 3.706 3.177 ( 0.000 -6.414 0.130) 6.415 3.206 ( 0.000 -7.782 -0.195) 7.785 3.574 ( 0.000 -2.871 0.082) 2.872 4.517 ( -0.000 1.513 0.009) 1.513 4.635 ( -0.000 6.700 -0.133) 6.701 5.164 ( -0.000 3.065 -0.076) 3.066 5.321 ( -0.000 9.318 0.027) 9.318 5.453 ( 0.000 -1.453 -0.017) 1.453 6.235 ( -0.000 1.325 0.045) 1.326 6.291 ( -0.000 3.021 0.341) 3.040 6.381 ( 0.000 -6.214 -0.464) 6.231 6.669 ( 0.000 -2.643 1.284) 2.939 7.205 ( 0.000 0.052 0.203) 0.210 7.248 ( -0.000 4.238 -1.079) 4.373 7.666 ( 0.000 -1.536 0.129) 1.542 ======================= Grid point 247 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -0.504 6.753 2.072) 7.082 0.786 ( -4.644 10.105 2.908) 11.495 1.261 ( -3.101 12.362 -1.264) 12.807 1.414 ( 0.558 -0.594 -3.793) 3.879 1.519 ( -0.890 1.421 1.844) 2.492 1.635 ( 0.684 1.854 3.560) 4.072 1.745 ( 0.325 -1.399 -0.530) 1.531 1.831 ( 0.157 -3.798 1.160) 3.975 1.855 ( 1.304 -0.358 -3.591) 3.837 2.211 ( 4.217 -14.531 -1.234) 15.181 2.509 ( -1.532 3.591 0.063) 3.904 2.515 ( 0.776 -3.937 -0.692) 4.072 3.027 ( 6.150 -10.262 -0.088) 11.964 3.192 ( -3.658 -6.782 -0.140) 7.707 3.508 ( 5.353 -2.190 0.025) 5.784 4.547 ( -1.639 1.739 0.013) 2.389 4.717 ( -2.388 7.196 -0.128) 7.583 5.212 ( -2.293 3.189 -0.062) 3.928 5.418 ( 1.007 -0.302 0.153) 1.062 5.432 ( -1.834 7.382 -0.072) 7.607 6.258 ( -1.140 1.407 0.100) 1.813 6.302 ( 2.065 -6.464 -0.323) 6.794 6.332 ( -1.144 3.294 0.207) 3.493 6.645 ( 0.964 -2.629 0.866) 2.931 7.197 ( 1.021 0.443 0.067) 1.115 7.297 ( -2.086 3.568 -0.985) 4.249 7.648 ( 0.278 -1.998 0.011) 2.017 ======================= Grid point 248 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -4.396 10.519 -0.804) 11.428 0.981 ( -7.047 8.731 1.697) 11.348 1.356 ( 0.649 1.059 -0.424) 1.313 1.401 ( -2.155 3.700 -0.676) 4.335 1.542 ( 0.104 0.902 -0.183) 0.926 1.641 ( 1.727 -3.135 0.609) 3.631 1.696 ( 2.635 -1.116 -1.623) 3.290 1.783 ( 0.774 -4.089 0.017) 4.162 1.902 ( -3.596 5.388 1.787) 6.720 1.992 ( 5.179 -12.427 -1.829) 13.587 2.451 ( 1.956 -4.206 -0.570) 4.673 2.587 ( -3.281 5.344 0.005) 6.271 2.825 ( 6.773 -11.428 -0.086) 13.285 3.172 ( 0.200 -4.567 -0.111) 4.572 3.385 ( 6.234 -3.584 -0.019) 7.191 4.590 ( -1.348 2.268 0.008) 2.638 4.834 ( -4.770 6.440 -0.085) 8.014 5.280 ( -2.395 3.248 0.013) 4.036 5.354 ( 3.196 -3.377 0.019) 4.649 5.570 ( -4.903 8.049 0.060) 9.425 6.198 ( 3.598 -6.258 -0.183) 7.221 6.291 ( -1.088 1.593 0.135) 1.934 6.388 ( -2.181 2.910 0.111) 3.638 6.606 ( 1.610 -2.551 0.404) 3.043 7.186 ( 0.902 0.398 -0.025) 0.986 7.357 ( -2.398 3.104 -0.786) 4.000 7.623 ( 0.456 -2.379 0.017) 2.422 ======================= Grid point 249 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -8.847 11.592 -0.852) 14.607 1.168 ( -5.937 6.283 0.721) 8.675 1.324 ( 1.605 -0.582 -1.235) 2.107 1.475 ( -1.521 2.040 2.673) 3.691 1.524 ( 2.795 -3.307 1.270) 4.512 1.557 ( 1.063 -0.951 -3.046) 3.363 1.641 ( 3.001 -2.638 -0.423) 4.018 1.744 ( -0.347 -3.888 0.365) 3.921 1.768 ( 4.652 -9.709 -1.082) 10.820 2.092 ( -7.793 7.595 0.475) 10.892 2.378 ( 1.727 -4.076 -0.400) 4.445 2.602 ( 7.312 -9.932 -0.106) 12.334 2.720 ( -4.494 6.895 0.014) 8.230 3.072 ( 10.055 -0.022 -0.010) 10.055 3.291 ( -1.356 -7.857 -0.083) 7.974 4.623 ( 0.033 2.423 0.012) 2.424 4.970 ( -5.640 5.073 -0.042) 7.586 5.266 ( 3.584 -4.082 0.043) 5.432 5.336 ( -0.887 3.015 0.030) 3.143 5.721 ( -5.877 6.163 0.040) 8.516 6.079 ( 4.341 -5.747 -0.055) 7.203 6.318 ( -0.285 1.672 0.075) 1.698 6.448 ( -2.338 1.988 0.052) 3.069 6.557 ( 1.869 -2.279 0.082) 2.949 7.175 ( 0.732 0.208 -0.051) 0.763 7.415 ( -2.206 2.787 -0.399) 3.577 7.592 ( 0.579 -2.624 0.029) 2.687 ======================= Grid point 250 (107/171) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 6.156 -1.678 -0.000) 6.381 1.211 ( 0.642 3.980 0.000) 4.031 1.296 ( 0.021 0.820 0.000) 0.820 1.485 ( -1.482 1.471 0.000) 2.088 1.527 ( -2.654 -2.949 -0.000) 3.968 1.556 ( -5.075 1.616 0.000) 5.326 1.576 ( 0.813 1.475 0.000) 1.685 1.680 ( -0.832 -3.422 -0.000) 3.522 1.747 ( -2.534 -1.812 -0.000) 3.115 2.238 ( 0.994 1.103 0.000) 1.485 2.329 ( -0.300 -3.454 -0.000) 3.467 2.425 ( -0.428 -5.257 -0.000) 5.274 2.869 ( -0.937 5.270 0.000) 5.353 2.904 ( 7.607 4.986 0.000) 9.096 3.265 ( -4.461 -8.843 -0.000) 9.905 4.630 ( 1.483 1.795 0.000) 2.328 5.068 ( -0.160 2.175 0.000) 2.181 5.196 ( -0.887 -2.518 -0.000) 2.670 5.359 ( 1.067 2.266 0.000) 2.504 5.828 ( 0.557 2.738 0.000) 2.794 5.991 ( -1.383 -3.288 -0.000) 3.567 6.330 ( 0.641 1.383 0.000) 1.524 6.476 ( 1.087 -0.357 -0.000) 1.144 6.527 ( -0.909 -0.332 -0.000) 0.968 7.166 ( 0.590 0.021 -0.000) 0.591 7.465 ( -1.016 2.484 0.000) 2.683 7.561 ( 0.056 -2.599 -0.000) 2.599 ======================= Grid point 257 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.000 9.885 2.721) 10.252 0.712 ( 0.000 -0.873 5.054) 5.129 1.071 ( -0.000 17.956 -1.970) 18.064 1.400 ( -0.000 -0.462 -2.981) 3.016 1.523 ( 0.000 -0.429 1.099) 1.180 1.644 ( 0.000 2.959 3.237) 4.385 1.759 ( -0.000 -1.630 -0.283) 1.654 1.849 ( -0.000 -1.580 -3.974) 4.276 1.870 ( -0.000 -2.873 1.104) 3.078 2.370 ( -0.000 -13.578 -0.537) 13.589 2.470 ( -0.000 2.540 0.063) 2.541 2.550 ( -0.000 -3.677 -0.494) 3.710 3.179 ( -0.000 -6.432 0.080) 6.433 3.204 ( -0.000 -8.087 -0.116) 8.088 3.575 ( 0.000 -3.057 0.074) 3.058 4.517 ( -0.000 1.543 0.006) 1.543 4.633 ( -0.000 6.728 -0.148) 6.729 5.163 ( -0.000 3.069 -0.047) 3.070 5.321 ( 0.000 9.448 0.036) 9.448 5.452 ( -0.000 -1.460 -0.028) 1.460 6.236 ( 0.000 1.333 0.028) 1.333 6.295 ( 0.000 2.989 0.213) 2.996 6.375 ( -0.000 -6.171 -0.283) 6.178 6.683 ( 0.000 -2.662 0.658) 2.742 7.207 ( 0.000 0.025 0.126) 0.128 7.236 ( -0.000 3.927 -0.576) 3.968 7.668 ( 0.000 -1.799 0.088) 1.801 ======================= Grid point 258 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.419 3.379 0.976) 3.543 0.817 ( -4.461 9.571 1.219) 10.629 1.245 ( -3.733 14.080 -0.678) 14.582 1.375 ( 0.698 -0.547 -1.510) 1.751 1.533 ( -0.367 0.263 0.339) 0.564 1.681 ( 0.688 1.449 2.337) 2.835 1.737 ( 1.041 -2.806 -0.621) 3.057 1.812 ( 0.536 0.599 -1.537) 1.734 1.848 ( -0.311 -2.060 0.486) 2.139 2.197 ( 4.142 -15.452 -0.588) 16.008 2.507 ( 0.761 -3.937 -0.263) 4.018 2.510 ( -1.475 3.553 0.015) 3.847 3.026 ( 6.116 -10.401 -0.033) 12.067 3.191 ( -3.683 -6.881 -0.051) 7.805 3.509 ( 5.345 -2.243 0.016) 5.797 4.547 ( -1.621 1.762 0.005) 2.394 4.715 ( -2.398 7.241 -0.068) 7.628 5.211 ( -2.307 3.198 -0.020) 3.943 5.420 ( 1.695 -1.919 0.107) 2.563 5.431 ( -2.520 9.058 -0.079) 9.403 6.259 ( -1.206 1.416 0.038) 1.861 6.299 ( 2.083 -6.476 -0.122) 6.803 6.334 ( -1.145 3.300 0.079) 3.494 6.653 ( 1.033 -2.732 0.308) 2.937 7.197 ( 1.088 0.455 0.022) 1.180 7.288 ( -2.082 3.380 -0.357) 3.986 7.649 ( 0.184 -2.207 0.006) 2.215 ======================= Grid point 259 (110/171) ======================= q-point: ( 0.80 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -4.119 9.631 0.000) 10.475 0.994 ( -6.968 8.481 0.000) 10.976 1.348 ( 1.318 -0.595 -0.000) 1.446 1.401 ( -3.455 7.373 0.000) 8.142 1.540 ( -0.177 0.195 0.000) 0.263 1.650 ( 4.007 -5.369 -0.000) 6.699 1.680 ( 1.397 -0.199 -0.000) 1.411 1.783 ( 0.759 -3.689 -0.000) 3.766 1.920 ( -4.763 7.572 0.000) 8.945 1.975 ( 5.924 -15.036 -0.000) 16.161 2.446 ( 1.981 -4.238 -0.000) 4.678 2.587 ( -3.261 5.338 0.000) 6.256 2.825 ( 6.761 -11.455 -0.000) 13.302 3.171 ( 0.144 -4.634 -0.000) 4.636 3.385 ( 6.286 -3.570 -0.000) 7.229 4.590 ( -1.341 2.285 0.000) 2.649 4.834 ( -4.763 6.468 0.000) 8.032 5.280 ( -2.434 3.260 0.000) 4.068 5.354 ( 3.190 -3.392 -0.000) 4.656 5.570 ( -4.894 8.075 0.000) 9.442 6.196 ( 3.584 -6.228 -0.000) 7.186 6.292 ( -1.104 1.603 0.000) 1.946 6.389 ( -2.185 2.878 0.000) 3.614 6.608 ( 1.683 -2.617 -0.000) 3.111 7.185 ( 0.929 0.384 0.000) 1.005 7.351 ( -2.403 3.053 0.000) 3.886 7.623 ( 0.379 -2.479 -0.000) 2.508 ======================= Grid point 265 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 14.771 0.000 3.052) 15.082 0.943 ( 11.425 0.000 3.962) 12.092 1.273 ( 2.479 -0.000 -0.261) 2.493 1.445 ( 0.390 -0.000 -3.737) 3.758 1.498 ( -0.041 -0.000 -1.476) 1.476 1.647 ( 6.900 0.000 0.207) 6.904 1.734 ( -5.555 -0.000 -1.606) 5.782 1.781 ( -4.825 -0.000 -1.272) 4.989 1.913 ( 7.924 0.000 3.165) 8.533 2.074 ( -15.368 0.000 0.943) 15.397 2.438 ( -4.172 0.000 1.696) 4.503 2.595 ( 6.418 -0.000 -0.245) 6.422 2.818 ( -15.306 0.000 0.329) 15.309 3.162 ( -3.836 -0.000 0.018) 3.836 3.336 ( -5.816 0.000 0.873) 5.881 4.574 ( 2.442 0.000 -0.018) 2.442 4.877 ( 7.902 -0.000 -0.198) 7.905 5.290 ( 3.674 -0.000 -0.327) 3.688 5.335 ( -4.197 -0.000 0.015) 4.197 5.579 ( 10.298 0.000 0.061) 10.298 6.199 ( -8.047 -0.000 -0.375) 8.056 6.303 ( 1.545 0.000 0.021) 1.545 6.382 ( 3.405 0.000 0.194) 3.410 6.605 ( -2.474 0.000 0.567) 2.538 7.160 ( 0.441 0.000 0.299) 0.533 7.385 ( 3.585 -0.000 -1.325) 3.822 7.641 ( -1.875 0.000 1.388) 2.333 ======================= Grid point 269 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -0.000 9.578 0.000) 9.578 0.753 ( 0.000 -3.835 0.000) 3.835 1.053 ( -0.000 18.838 0.000) 18.838 1.378 ( 0.000 -0.366 0.000) 0.366 1.529 ( -0.000 0.120 0.000) 0.120 1.674 ( -0.000 3.213 0.000) 3.213 1.757 ( 0.000 -1.031 0.000) 1.031 1.817 ( 0.000 -2.048 0.000) 2.048 1.877 ( 0.000 -2.926 0.000) 2.926 2.366 ( 0.000 -13.991 0.000) 13.991 2.471 ( -0.000 2.561 0.000) 2.561 2.546 ( 0.000 -3.699 0.000) 3.699 3.179 ( 0.000 -6.439 0.000) 6.439 3.203 ( 0.000 -8.200 0.000) 8.200 3.576 ( 0.000 -3.124 0.000) 3.124 4.517 ( -0.000 1.555 0.000) 1.555 4.632 ( -0.000 6.736 0.000) 6.736 5.163 ( -0.000 3.071 0.000) 3.071 5.321 ( -0.000 9.504 0.000) 9.504 5.452 ( 0.000 -1.470 0.000) 1.470 6.236 ( -0.000 1.336 0.000) 1.336 6.297 ( -0.000 2.980 0.000) 2.980 6.373 ( 0.000 -6.158 0.000) 6.158 6.688 ( 0.000 -2.641 0.000) 2.641 7.208 ( -0.000 0.015 0.000) 0.015 7.232 ( -0.000 3.789 0.000) 3.789 7.669 ( 0.000 -1.900 0.000) 1.900 ======================= Grid point 276 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 12.361 -0.018 2.729) 12.658 1.157 ( 12.317 -2.428 2.157) 12.738 1.279 ( -0.320 -0.034 -1.409) 1.445 1.451 ( 0.950 -0.172 0.823) 1.268 1.481 ( -0.951 -0.852 -2.816) 3.092 1.616 ( -5.634 3.551 -0.074) 6.660 1.687 ( -0.234 -0.185 -1.888) 1.912 1.727 ( -1.960 -1.981 -0.325) 2.806 1.838 ( -13.448 2.748 0.913) 13.756 2.114 ( 11.524 -2.675 2.167) 12.027 2.396 ( -3.083 -1.161 1.316) 3.547 2.588 ( -13.962 0.474 0.357) 13.975 2.717 ( 9.602 -0.078 -0.191) 9.604 3.051 ( -4.810 8.810 0.037) 10.038 3.288 ( -5.446 -6.944 0.560) 8.843 4.609 ( 2.329 0.690 -0.043) 2.430 4.994 ( 6.652 -1.069 -0.182) 6.740 5.258 ( -5.337 0.432 0.039) 5.355 5.334 ( 2.776 1.000 -0.233) 2.960 5.736 ( 8.739 -1.265 0.027) 8.830 6.068 ( -7.957 0.424 -0.249) 7.972 6.321 ( 1.088 0.731 -0.099) 1.314 6.435 ( 2.676 -0.926 0.098) 2.834 6.567 ( -2.488 0.468 0.226) 2.542 7.169 ( 0.498 0.071 0.246) 0.560 7.431 ( 3.288 -0.044 -0.918) 3.414 7.618 ( -2.216 0.062 1.286) 2.563 ======================= Grid point 277 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 13.482 -0.000 1.861) 13.609 0.992 ( 11.250 -0.000 2.687) 11.566 1.276 ( 0.785 -0.000 0.754) 1.088 1.392 ( 5.647 0.000 -3.377) 6.580 1.477 ( -1.232 0.000 -1.326) 1.811 1.653 ( 2.327 -0.000 0.505) 2.381 1.717 ( -4.835 -0.000 -0.780) 4.898 1.762 ( -3.874 -0.000 -1.116) 4.031 1.953 ( 8.726 0.000 2.079) 8.970 2.085 ( -14.937 -0.000 0.509) 14.946 2.457 ( -4.078 0.000 0.975) 4.193 2.592 ( 6.363 -0.000 -0.155) 6.365 2.822 ( -15.176 -0.000 0.198) 15.177 3.163 ( -3.898 0.000 0.020) 3.898 3.346 ( -5.867 -0.000 0.538) 5.892 4.573 ( 2.414 0.000 -0.010) 2.414 4.874 ( 7.886 0.000 -0.158) 7.887 5.286 ( 3.689 0.000 -0.199) 3.695 5.335 ( -4.177 -0.000 0.019) 4.177 5.580 ( 10.287 0.000 0.037) 10.287 6.194 ( -8.019 0.000 -0.222) 8.022 6.303 ( 1.456 -0.000 -0.003) 1.456 6.384 ( 3.377 0.000 0.120) 3.379 6.611 ( -2.732 0.000 0.340) 2.753 7.163 ( 0.456 0.000 0.179) 0.490 7.370 ( 3.637 -0.000 -0.807) 3.726 7.657 ( -1.690 -0.000 0.856) 1.895 ======================= Grid point 287 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -0.904 2.099 0.418) 2.323 1.270 ( 0.909 1.587 -0.753) 1.978 1.329 ( 3.352 4.310 1.224) 5.596 1.422 ( -2.483 -0.482 -0.973) 2.710 1.465 ( 0.496 -0.862 1.288) 1.627 1.571 ( 2.222 -0.616 0.791) 2.438 1.672 ( -0.341 -1.284 1.457) 1.971 1.685 ( -1.592 -1.644 -1.469) 2.719 1.740 ( 0.267 -2.295 -0.505) 2.365 2.237 ( -3.023 3.537 0.303) 4.662 2.389 ( -0.842 -2.468 0.657) 2.689 2.457 ( 0.038 -5.714 0.487) 5.734 2.866 ( 0.578 4.737 -0.039) 4.772 2.903 ( 6.506 5.772 0.005) 8.697 3.284 ( -4.699 -8.518 0.290) 9.732 4.628 ( 1.425 1.641 -0.035) 2.174 5.068 ( 0.502 1.827 -0.006) 1.894 5.192 ( -1.366 -2.249 -0.052) 2.632 5.350 ( 1.227 2.132 -0.119) 2.463 5.824 ( 0.066 2.904 -0.056) 2.905 5.988 ( -0.623 -3.819 -0.028) 3.870 6.321 ( 0.321 1.274 -0.140) 1.321 6.472 ( 0.570 -0.132 -0.053) 0.588 6.531 ( -1.156 -0.078 0.063) 1.161 7.177 ( 0.521 0.257 0.147) 0.599 7.469 ( 2.180 0.887 -0.207) 2.363 7.594 ( -1.811 -0.488 0.715) 2.008 ======================= Grid point 288 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 14.426 -0.092 0.878) 14.453 1.182 ( 9.965 -1.501 1.102) 10.137 1.264 ( -0.878 -0.069 -0.529) 1.027 1.449 ( -1.818 -1.289 -1.349) 2.605 1.463 ( 2.664 -0.299 0.612) 2.750 1.616 ( -4.554 3.572 0.037) 5.788 1.666 ( 0.094 -0.183 -0.872) 0.896 1.723 ( -2.054 -2.661 -0.178) 3.366 1.846 ( -13.575 3.147 0.306) 13.939 2.136 ( 10.631 -2.447 0.852) 10.942 2.409 ( -3.110 -0.990 0.481) 3.299 2.592 ( -13.914 0.539 0.131) 13.925 2.715 ( 9.643 -0.111 -0.072) 9.644 3.052 ( -4.812 8.778 0.016) 10.010 3.294 ( -5.498 -6.794 0.216) 8.742 4.608 ( 2.308 0.678 -0.016) 2.406 4.992 ( 6.694 -1.071 -0.076) 6.779 5.259 ( -5.350 0.416 0.019) 5.366 5.332 ( 2.803 0.975 -0.089) 2.969 5.736 ( 8.721 -1.261 0.010) 8.812 6.065 ( -7.907 0.398 -0.093) 7.918 6.320 ( 1.012 0.715 -0.044) 1.240 6.436 ( 2.604 -0.920 0.038) 2.762 6.569 ( -2.596 0.504 0.088) 2.646 7.171 ( 0.501 0.103 0.093) 0.520 7.422 ( 3.475 -0.125 -0.352) 3.495 7.631 ( -2.159 0.182 0.492) 2.222 ======================= Grid point 289 (117/171) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 12.908 0.000 0.000) 12.908 1.012 ( 11.273 0.000 0.000) 11.273 1.286 ( -2.110 -0.000 0.000) 2.110 1.363 ( 9.912 0.000 0.000) 9.912 1.466 ( -1.805 -0.000 0.000) 1.805 1.658 ( 0.702 0.000 0.000) 0.702 1.711 ( -4.502 -0.000 0.000) 4.502 1.753 ( -3.499 -0.000 0.000) 3.499 1.968 ( 8.981 0.000 0.000) 8.981 2.088 ( -14.792 -0.000 0.000) 14.792 2.464 ( -4.046 -0.000 0.000) 4.046 2.591 ( 6.345 0.000 0.000) 6.345 2.823 ( -15.127 -0.000 0.000) 15.127 3.163 ( -3.921 -0.000 0.000) 3.921 3.350 ( -5.886 -0.000 0.000) 5.886 4.573 ( 2.403 0.000 0.000) 2.403 4.873 ( 7.887 0.000 0.000) 7.887 5.284 ( 3.695 0.000 0.000) 3.695 5.335 ( -4.169 -0.000 0.000) 4.169 5.580 ( 10.283 0.000 0.000) 10.283 6.193 ( -8.009 -0.000 0.000) 8.009 6.303 ( 1.421 0.000 0.000) 1.421 6.385 ( 3.366 0.000 0.000) 3.366 6.614 ( -2.821 -0.000 0.000) 2.821 7.164 ( 0.462 0.000 -0.000) 0.462 7.364 ( 3.652 0.000 0.000) 3.652 7.664 ( -1.621 -0.000 0.000) 1.621 ======================= Grid point 298 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -8.256 9.147 0.076) 12.322 1.143 ( -8.202 12.783 0.441) 15.194 1.266 ( -0.157 0.748 -0.884) 1.169 1.447 ( 1.395 -1.785 -0.356) 2.293 1.524 ( 1.616 -3.362 1.458) 4.005 1.665 ( 5.405 -3.073 0.806) 6.269 1.687 ( 0.574 -2.784 -1.242) 3.102 1.753 ( -0.141 -0.797 0.946) 1.245 1.827 ( 8.461 -8.165 0.009) 11.758 2.044 ( -8.614 9.842 -0.191) 13.081 2.423 ( 1.278 -3.368 0.249) 3.611 2.619 ( 6.340 -9.958 0.142) 11.806 2.719 ( -4.343 7.183 0.011) 8.394 3.073 ( 10.632 0.240 0.010) 10.635 3.304 ( -1.924 -7.769 0.102) 8.005 4.621 ( 0.001 2.221 -0.011) 2.221 4.975 ( -5.807 4.892 0.025) 7.593 5.260 ( 3.844 -3.964 -0.037) 5.522 5.332 ( -0.593 2.924 -0.032) 2.984 5.715 ( -5.891 5.976 -0.043) 8.392 6.087 ( 4.550 -6.118 0.053) 7.625 6.307 ( -0.446 1.511 -0.089) 1.578 6.441 ( -2.191 2.294 -0.047) 3.173 6.546 ( 0.984 -1.695 -0.081) 1.961 7.182 ( 0.545 0.434 0.048) 0.698 7.465 ( -0.761 2.606 0.304) 2.732 7.594 ( 0.386 -1.492 0.068) 1.543 ======================= Grid point 299 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -0.537 0.253 0.000) 0.594 1.270 ( -1.018 3.944 0.000) 4.073 1.337 ( 4.380 4.692 0.000) 6.418 1.415 ( -2.211 -1.045 -0.000) 2.446 1.475 ( 1.189 -1.026 -0.000) 1.571 1.579 ( 2.015 -0.851 -0.000) 2.188 1.672 ( -1.668 -1.174 -0.000) 2.040 1.684 ( 0.339 -1.243 -0.000) 1.288 1.735 ( 0.155 -2.612 -0.000) 2.617 2.239 ( -3.450 3.800 0.000) 5.132 2.394 ( -0.946 -2.380 -0.000) 2.561 2.461 ( 0.129 -5.773 -0.000) 5.775 2.866 ( 0.746 4.677 0.000) 4.736 2.903 ( 6.382 5.859 0.000) 8.664 3.287 ( -4.721 -8.477 -0.000) 9.703 4.627 ( 1.418 1.625 0.000) 2.157 5.068 ( 0.584 1.788 0.000) 1.881 5.191 ( -1.430 -2.218 -0.000) 2.639 5.350 ( 1.246 2.121 0.000) 2.460 5.824 ( 0.014 2.919 0.000) 2.919 5.988 ( -0.549 -3.874 -0.000) 3.913 6.320 ( 0.288 1.256 0.000) 1.289 6.471 ( 0.523 -0.111 -0.000) 0.534 6.532 ( -1.188 -0.043 0.000) 1.189 7.178 ( 0.513 0.280 0.000) 0.585 7.467 ( 2.433 0.732 0.000) 2.541 7.599 ( -1.923 -0.280 -0.000) 1.943 ======================= Grid point 308 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -6.696 16.640 0.000) 17.937 0.890 ( -8.274 11.060 0.000) 13.812 1.269 ( 0.577 -0.793 -0.000) 0.981 1.486 ( 1.892 -1.842 -0.000) 2.640 1.583 ( 0.776 -2.627 -0.000) 2.739 1.647 ( -7.153 13.475 0.000) 15.256 1.706 ( -0.013 -2.064 -0.000) 2.064 1.761 ( 2.296 -1.524 -0.000) 2.756 1.937 ( 2.071 -1.783 -0.000) 2.732 2.046 ( 7.468 -11.235 -0.000) 13.491 2.483 ( 2.028 -3.619 -0.000) 4.148 2.588 ( -3.428 5.355 0.000) 6.358 2.833 ( 6.829 -11.094 -0.000) 13.027 3.180 ( 0.785 -3.934 -0.000) 4.012 3.388 ( 5.814 -3.635 -0.000) 6.856 4.589 ( -1.416 2.106 0.000) 2.538 4.837 ( -4.947 6.426 0.000) 8.110 5.282 ( -2.130 3.158 0.000) 3.809 5.351 ( 3.360 -3.351 -0.000) 4.745 5.565 ( -5.022 7.822 0.000) 9.295 6.211 ( 3.767 -6.578 -0.000) 7.580 6.281 ( -0.933 1.504 0.000) 1.770 6.380 ( -2.161 3.198 0.000) 3.859 6.575 ( 0.763 -1.674 -0.000) 1.840 7.187 ( 0.628 0.534 0.000) 0.824 7.413 ( -2.165 3.362 0.000) 3.999 7.622 ( 1.143 -1.403 -0.000) 1.809 ======================= Grid point 318 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -0.000 13.243 0.000) 13.243 0.792 ( -0.000 18.705 0.000) 18.705 1.279 ( 0.000 -1.453 -0.000) 1.453 1.510 ( -0.000 22.105 0.000) 22.105 1.538 ( 0.000 -2.900 -0.000) 2.900 1.589 ( 0.000 -5.987 -0.000) 5.987 1.697 ( 0.000 -0.198 -0.000) 0.198 1.782 ( -0.000 0.191 0.000) 0.191 2.020 ( 0.000 -4.547 -0.000) 4.547 2.161 ( 0.000 -14.195 -0.000) 14.195 2.520 ( 0.000 -3.365 -0.000) 3.365 2.525 ( -0.000 4.211 0.000) 4.211 3.041 ( 0.000 -7.967 -0.000) 7.967 3.043 ( 0.000 -11.631 -0.000) 11.631 3.546 ( 0.000 -0.781 -0.000) 0.781 4.543 ( -0.000 1.323 0.000) 1.323 4.771 ( -0.000 8.133 0.000) 8.133 5.222 ( -0.000 2.847 0.000) 2.847 5.410 ( 0.000 -3.003 -0.000) 3.003 5.496 ( -0.000 9.756 0.000) 9.756 6.258 ( -0.000 1.304 0.000) 1.304 6.271 ( 0.000 -7.191 -0.000) 7.191 6.347 ( -0.000 4.108 0.000) 4.108 6.587 ( 0.000 -1.736 -0.000) 1.736 7.201 ( -0.000 0.104 0.000) 0.104 7.370 ( -0.000 4.294 0.000) 4.294 7.643 ( 0.000 -1.312 -0.000) 1.312 ======================= Grid point 319 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -4.168 11.994 0.493) 12.708 0.978 ( -2.274 18.195 -0.503) 18.343 1.272 ( 0.130 -0.333 0.718) 0.802 1.497 ( 1.630 -2.605 0.396) 3.098 1.531 ( -0.533 -6.404 -1.126) 6.524 1.694 ( -1.971 9.274 -0.396) 9.490 1.697 ( -0.027 0.095 0.726) 0.733 1.780 ( 0.982 0.811 -0.257) 1.300 1.975 ( 2.317 2.004 -1.361) 3.352 2.007 ( 2.552 -12.821 0.147) 13.073 2.479 ( 1.452 -3.041 -0.276) 3.381 2.589 ( -2.622 5.592 0.036) 6.176 2.838 ( 6.912 -11.504 -0.135) 13.421 3.053 ( -6.132 -9.379 -0.108) 11.206 3.489 ( 6.449 -0.480 -0.036) 6.467 4.573 ( -2.175 1.235 0.022) 2.502 4.854 ( -1.454 7.486 0.030) 7.626 5.267 ( -2.492 2.372 -0.024) 3.440 5.363 ( 2.139 -3.588 0.015) 4.177 5.594 ( -1.568 8.797 0.052) 8.936 6.192 ( 1.824 -6.890 -0.098) 7.128 6.278 ( -0.993 1.169 0.043) 1.534 6.391 ( -0.770 3.937 0.052) 4.012 6.568 ( 0.365 -2.009 0.257) 2.058 7.198 ( 0.388 0.188 0.026) 0.432 7.417 ( -1.331 3.791 -0.481) 4.047 7.624 ( 0.793 -1.578 -0.137) 1.771 ======================= Grid point 320 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -6.356 9.710 0.318) 11.610 1.170 ( -3.586 14.142 -0.898) 14.617 1.281 ( -0.115 1.266 1.118) 1.693 1.459 ( 1.021 -1.350 0.228) 1.708 1.477 ( -0.352 -5.333 -1.005) 5.438 1.671 ( 1.116 -3.083 0.379) 3.301 1.719 ( 3.529 -1.633 -0.951) 4.003 1.739 ( 1.244 -1.769 -1.859) 2.852 1.827 ( 3.244 -11.011 -0.783) 11.506 2.070 ( -2.179 13.094 0.238) 13.276 2.420 ( 2.302 -2.667 -0.527) 3.562 2.621 ( 5.958 -10.084 -0.100) 11.713 2.717 ( -4.323 7.170 -0.064) 8.372 3.059 ( -5.410 -8.769 -0.226) 10.306 3.347 ( 10.562 -0.999 -0.010) 10.610 4.621 ( -2.164 1.278 0.050) 2.514 4.950 ( -3.299 5.699 0.030) 6.585 5.284 ( 3.630 -3.797 -0.008) 5.253 5.329 ( -2.605 1.891 0.011) 3.220 5.702 ( -3.269 6.774 0.105) 7.522 6.092 ( 3.335 -6.004 -0.098) 6.869 6.307 ( -1.215 1.036 0.167) 1.605 6.439 ( -1.178 3.120 0.034) 3.336 6.543 ( 0.694 -2.165 0.251) 2.287 7.193 ( 0.511 0.220 -0.043) 0.558 7.468 ( -1.702 3.177 -0.877) 3.709 7.590 ( 1.228 -2.000 -0.209) 2.357 ======================= Grid point 321 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -3.684 5.240 -0.076) 6.406 1.282 ( -1.769 1.187 2.266) 3.110 1.346 ( -3.020 6.009 -1.372) 6.864 1.435 ( -0.875 -2.806 -1.806) 3.450 1.449 ( 1.960 3.324 -0.517) 3.893 1.596 ( 1.516 -6.617 -1.355) 6.923 1.626 ( 3.525 -2.610 -0.085) 4.387 1.672 ( 1.179 -2.327 -1.508) 3.014 1.743 ( 1.086 -1.571 0.185) 1.919 2.227 ( -4.625 8.736 -0.140) 9.886 2.363 ( 1.301 -2.036 -0.973) 2.605 2.440 ( 5.739 -8.272 -0.095) 10.068 2.875 ( -5.123 8.607 -0.094) 10.016 3.053 ( -0.646 -3.540 -0.294) 3.611 3.168 ( 7.459 -4.930 -0.049) 8.941 4.652 ( -0.228 0.952 0.090) 0.983 5.057 ( -4.755 3.786 0.010) 6.078 5.188 ( 4.166 -3.513 0.028) 5.449 5.372 ( -0.825 1.206 0.096) 1.464 5.818 ( -4.875 4.703 0.145) 6.775 5.981 ( 4.523 -4.799 -0.032) 6.595 6.331 ( -0.577 0.735 0.277) 0.975 6.480 ( -0.582 1.919 0.065) 2.006 6.515 ( 0.194 -1.828 0.031) 1.839 7.186 ( 0.577 0.130 -0.177) 0.617 7.506 ( 0.214 2.673 -0.553) 2.738 7.555 ( -0.403 -2.310 -0.651) 2.434 ======================= Grid point 322 (125/171) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 6.608 -0.000 -2.640) 7.116 1.291 ( 0.283 0.000 1.941) 1.962 1.333 ( 10.645 -0.000 -2.398) 10.912 1.441 ( -0.533 -0.000 -1.115) 1.236 1.458 ( -6.407 0.000 2.364) 6.829 1.563 ( -0.645 -0.000 -0.569) 0.860 1.657 ( -9.371 -0.000 -1.167) 9.443 1.660 ( -1.664 -0.000 -0.052) 1.665 1.729 ( 0.521 0.000 0.723) 0.891 2.256 ( 9.253 -0.000 -1.061) 9.313 2.348 ( -0.527 -0.000 -1.315) 1.417 2.397 ( -10.282 -0.000 -0.492) 10.294 2.884 ( 10.413 0.000 0.114) 10.414 3.047 ( -1.767 0.000 0.071) 1.768 3.136 ( -7.225 -0.000 -0.710) 7.260 4.645 ( 1.645 0.000 0.097) 1.648 5.087 ( 5.733 0.000 0.107) 5.734 5.169 ( -6.158 -0.000 -0.004) 6.158 5.374 ( 1.327 0.000 0.221) 1.346 5.857 ( 7.333 0.000 -0.010) 7.333 5.948 ( -7.549 0.000 0.231) 7.552 6.338 ( 0.447 0.000 0.241) 0.508 6.468 ( 2.122 0.000 0.037) 2.122 6.531 ( -2.228 -0.000 -0.156) 2.234 7.176 ( 0.584 -0.000 -0.291) 0.652 7.486 ( 2.877 0.000 0.734) 2.969 7.569 ( -2.693 -0.000 -1.674) 3.171 ======================= Grid point 329 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -0.000 12.928 1.469) 13.011 0.790 ( -0.000 18.057 -0.290) 18.059 1.288 ( 0.000 -1.160 1.288) 1.733 1.513 ( -0.000 17.686 0.427) 17.691 1.552 ( 0.000 0.148 1.804) 1.810 1.558 ( 0.000 -4.392 -3.614) 5.687 1.720 ( 0.000 -1.682 2.488) 3.003 1.776 ( -0.000 0.309 -0.840) 0.895 2.000 ( 0.000 -3.985 -2.669) 4.796 2.156 ( 0.000 -14.380 -0.701) 14.397 2.516 ( 0.000 -3.386 -0.550) 3.430 2.526 ( -0.000 4.231 0.121) 4.233 3.039 ( 0.000 -11.748 -0.489) 11.758 3.042 ( 0.000 -7.963 0.076) 7.963 3.545 ( 0.000 -0.775 -0.101) 0.782 4.543 ( -0.000 1.334 0.033) 1.335 4.771 ( -0.000 8.097 0.077) 8.097 5.221 ( -0.000 2.854 -0.035) 2.855 5.410 ( 0.000 -2.966 0.014) 2.966 5.497 ( -0.000 9.742 0.086) 9.743 6.258 ( -0.000 1.306 0.034) 1.307 6.269 ( 0.000 -7.143 -0.253) 7.148 6.349 ( -0.000 4.064 0.162) 4.067 6.592 ( 0.000 -1.922 0.723) 2.054 7.201 ( -0.000 0.095 0.101) 0.139 7.363 ( -0.000 4.301 -0.917) 4.398 7.642 ( 0.000 -1.418 -0.202) 1.432 ======================= Grid point 330 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -3.895 11.521 1.339) 12.236 0.964 ( -2.140 17.598 -1.498) 17.791 1.292 ( 0.053 -0.459 2.131) 2.181 1.490 ( 0.504 -3.797 -2.456) 4.551 1.522 ( 0.731 -3.347 1.031) 3.578 1.680 ( -1.846 7.620 -1.617) 8.005 1.714 ( 0.375 -2.568 1.503) 2.999 1.774 ( 0.960 0.925 -0.645) 1.481 1.946 ( 1.923 -0.473 -2.380) 3.096 2.004 ( 2.142 -8.634 -0.614) 8.917 2.472 ( 1.382 -3.102 -0.737) 3.475 2.590 ( -2.514 5.631 0.101) 6.167 2.834 ( 6.779 -11.611 -0.346) 13.450 3.050 ( -6.082 -9.352 -0.265) 11.159 3.488 ( 6.406 -0.466 -0.070) 6.423 4.573 ( -2.167 1.258 0.056) 2.506 4.854 ( -1.425 7.507 0.055) 7.642 5.266 ( -2.473 2.396 -0.054) 3.444 5.364 ( 2.124 -3.617 0.024) 4.195 5.595 ( -1.575 8.810 0.135) 8.951 6.189 ( 1.793 -6.817 -0.251) 7.054 6.279 ( -1.066 1.170 0.112) 1.587 6.392 ( -0.742 3.871 0.128) 3.943 6.575 ( 0.462 -2.220 0.657) 2.361 7.199 ( 0.456 0.176 0.067) 0.493 7.404 ( -1.359 3.751 -1.248) 4.180 7.620 ( 0.678 -1.756 -0.357) 1.916 ======================= Grid point 331 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -5.776 9.373 0.430) 11.018 1.146 ( -3.969 14.839 -2.269) 15.527 1.310 ( -0.191 0.083 2.921) 2.928 1.440 ( -0.368 -3.226 -2.319) 3.990 1.483 ( 1.955 -2.399 1.448) 3.417 1.676 ( 1.419 -4.859 0.166) 5.065 1.690 ( 0.889 -1.025 -3.044) 3.332 1.714 ( 3.290 -3.031 -1.370) 4.678 1.809 ( 2.300 -9.660 -1.855) 10.101 2.075 ( -2.334 12.317 0.454) 12.545 2.409 ( 2.329 -2.744 -0.884) 3.706 2.620 ( 6.004 -9.983 -0.135) 11.650 2.716 ( -4.349 7.202 -0.081) 8.414 3.055 ( -5.394 -8.787 -0.358) 10.317 3.347 ( 10.554 -0.944 0.010) 10.596 4.622 ( -2.161 1.315 0.081) 2.531 4.951 ( -3.223 5.795 0.042) 6.631 5.283 ( 3.554 -3.857 -0.011) 5.244 5.329 ( -2.639 1.887 0.009) 3.244 5.704 ( -3.262 6.784 0.165) 7.529 6.090 ( 3.281 -5.915 -0.160) 6.766 6.310 ( -1.294 1.052 0.265) 1.689 6.440 ( -1.179 3.030 0.045) 3.252 6.548 ( 0.881 -2.301 0.412) 2.498 7.192 ( 0.618 0.200 -0.073) 0.654 7.451 ( -1.852 3.093 -1.438) 3.881 7.586 ( 1.061 -2.140 -0.317) 2.409 ======================= Grid point 332 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -3.621 5.326 -0.184) 6.443 1.305 ( -3.900 7.778 -0.838) 8.741 1.329 ( 0.341 0.354 0.415) 0.644 1.412 ( -0.530 -1.270 -0.690) 1.539 1.446 ( 1.838 0.073 0.219) 1.853 1.569 ( 0.549 -8.339 -2.488) 8.720 1.622 ( 3.484 -0.138 -0.409) 3.511 1.658 ( -0.071 -2.748 -0.591) 2.811 1.737 ( 0.156 -1.557 -1.051) 1.885 2.225 ( -4.566 7.963 -0.100) 9.180 2.347 ( 1.545 -2.221 -1.165) 2.945 2.439 ( 6.243 -7.743 -0.129) 9.947 2.873 ( -5.187 8.595 -0.110) 10.039 3.048 ( -1.076 -3.990 -0.373) 4.150 3.167 ( 7.982 -4.530 -0.015) 9.178 4.654 ( -0.221 0.987 0.111) 1.017 5.057 ( -4.653 3.909 0.020) 6.077 5.189 ( 4.036 -3.629 0.022) 5.428 5.374 ( -0.926 1.214 0.124) 1.532 5.821 ( -4.876 4.717 0.176) 6.786 5.981 ( 4.464 -4.740 -0.042) 6.512 6.336 ( -0.545 0.763 0.323) 0.992 6.481 ( -0.767 1.921 0.062) 2.069 6.516 ( 0.555 -1.954 0.074) 2.032 7.183 ( 0.666 0.105 -0.225) 0.711 7.494 ( -1.264 2.840 -1.169) 3.321 7.547 ( 0.621 -2.596 -0.326) 2.689 ======================= Grid point 333 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 7.862 -0.000 -2.171) 8.156 1.282 ( 7.786 -0.000 -2.627) 8.217 1.325 ( 3.353 0.000 0.450) 3.383 1.441 ( -0.797 0.000 1.514) 1.711 1.487 ( -10.189 0.000 1.522) 10.302 1.558 ( -0.008 -0.000 -0.004) 0.009 1.638 ( -7.887 -0.000 -1.360) 8.003 1.657 ( -2.527 -0.000 -0.487) 2.574 1.733 ( -0.752 -0.000 -0.136) 0.764 2.244 ( 10.203 -0.000 -0.601) 10.221 2.327 ( 0.180 -0.000 -1.579) 1.589 2.389 ( -10.284 -0.000 -0.532) 10.298 2.886 ( 10.228 0.000 0.122) 10.228 3.048 ( -1.713 0.000 0.099) 1.716 3.126 ( -7.116 -0.000 -0.708) 7.151 4.647 ( 1.676 0.000 0.098) 1.679 5.089 ( 5.614 0.000 0.087) 5.615 5.169 ( -6.111 -0.000 0.014) 6.111 5.378 ( 1.244 0.000 0.226) 1.264 5.857 ( 7.341 0.000 -0.011) 7.341 5.952 ( -7.625 0.000 0.237) 7.628 6.341 ( 0.569 0.000 0.204) 0.605 6.468 ( 2.298 0.000 0.043) 2.298 6.528 ( -2.187 -0.000 -0.135) 2.191 7.171 ( 0.625 -0.000 -0.299) 0.692 7.497 ( 2.423 0.000 0.739) 2.533 7.544 ( -2.729 -0.000 -1.688) 3.209 ======================= Grid point 340 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -0.000 15.945 -0.330) 15.948 0.788 ( -0.000 12.104 2.532) 12.366 1.310 ( 0.000 0.685 1.569) 1.712 1.499 ( 0.000 -2.711 -4.395) 5.164 1.522 ( -0.000 11.756 0.783) 11.782 1.585 ( -0.000 1.571 2.721) 3.142 1.756 ( 0.000 -3.050 2.397) 3.880 1.762 ( -0.000 0.745 -1.018) 1.262 1.950 ( 0.000 -2.335 -4.053) 4.677 2.140 ( 0.000 -14.981 -1.477) 15.054 2.506 ( 0.000 -3.451 -0.891) 3.564 2.528 ( -0.000 4.294 0.195) 4.298 3.030 ( 0.000 -12.051 -0.752) 12.074 3.043 ( 0.000 -7.952 0.123) 7.953 3.544 ( 0.000 -0.774 -0.108) 0.782 4.544 ( -0.000 1.363 0.054) 1.365 4.772 ( -0.000 8.066 0.035) 8.066 5.221 ( -0.000 2.873 -0.057) 2.873 5.411 ( 0.000 -2.918 0.026) 2.919 5.498 ( -0.000 9.746 0.125) 9.747 6.259 ( -0.000 1.311 0.055) 1.312 6.265 ( 0.000 -7.045 -0.383) 7.055 6.352 ( -0.000 3.966 0.244) 3.973 6.606 ( 0.000 -2.325 1.077) 2.563 7.203 ( 0.000 0.071 0.164) 0.179 7.346 ( -0.000 4.266 -1.427) 4.498 7.638 ( 0.000 -1.701 -0.317) 1.731 ======================= Grid point 341 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -1.966 13.942 -0.706) 14.097 0.945 ( -3.459 12.773 0.463) 13.241 1.330 ( -0.063 0.215 3.046) 3.054 1.445 ( 0.055 -2.622 -3.341) 4.248 1.545 ( 1.212 -1.894 1.742) 2.845 1.650 ( -1.243 3.472 -2.282) 4.337 1.735 ( 0.735 -3.495 1.178) 3.760 1.761 ( 1.110 -0.502 -1.236) 1.735 1.914 ( 1.304 -2.123 -1.873) 3.117 1.990 ( 1.331 -4.435 -1.267) 4.801 2.459 ( 1.301 -3.182 -0.937) 3.563 2.592 ( -2.352 5.681 0.134) 6.150 2.829 ( 6.533 -11.775 -0.414) 13.472 3.046 ( -5.968 -9.304 -0.293) 11.057 3.487 ( 6.345 -0.450 -0.042) 6.361 4.574 ( -2.153 1.294 0.070) 2.513 4.855 ( -1.386 7.590 0.025) 7.715 5.265 ( -2.462 2.432 -0.053) 3.461 5.364 ( 2.109 -3.674 0.005) 4.236 5.597 ( -1.583 8.835 0.163) 8.977 6.185 ( 1.750 -6.710 -0.302) 6.941 6.281 ( -1.180 1.176 0.136) 1.672 6.394 ( -0.703 3.760 0.146) 3.828 6.585 ( 0.606 -2.515 0.782) 2.702 7.200 ( 0.567 0.158 0.079) 0.594 7.384 ( -1.402 3.652 -1.519) 4.196 7.614 ( 0.493 -2.047 -0.437) 2.150 ======================= Grid point 342 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -4.087 12.672 -1.809) 13.437 1.122 ( -5.449 10.353 -0.190) 11.701 1.353 ( 0.195 -0.522 2.062) 2.136 1.413 ( -0.511 -1.192 -0.503) 1.391 1.507 ( 2.603 -2.683 1.786) 4.143 1.638 ( 0.411 -2.676 -3.821) 4.683 1.675 ( 2.786 -4.726 -0.664) 5.526 1.700 ( 1.757 -3.198 -0.431) 3.674 1.775 ( 1.568 -8.985 -2.675) 9.505 2.082 ( -2.580 11.248 0.505) 11.552 2.396 ( 2.384 -2.782 -0.919) 3.777 2.618 ( 6.031 -9.810 -0.100) 11.516 2.715 ( -4.359 7.201 -0.057) 8.418 3.050 ( -5.356 -8.802 -0.349) 10.310 3.348 ( 10.545 -0.879 0.043) 10.582 4.624 ( -2.158 1.360 0.081) 2.552 4.952 ( -3.132 5.941 0.034) 6.716 5.283 ( 3.489 -3.974 -0.010) 5.288 5.329 ( -2.718 1.913 0.002) 3.324 5.707 ( -3.252 6.796 0.159) 7.536 6.088 ( 3.217 -5.807 -0.163) 6.641 6.314 ( -1.385 1.074 0.260) 1.772 6.440 ( -1.186 2.906 0.035) 3.139 6.554 ( 1.103 -2.446 0.420) 2.716 7.191 ( 0.750 0.175 -0.079) 0.775 7.430 ( -1.980 2.957 -1.456) 3.845 7.581 ( 0.802 -2.294 -0.295) 2.448 ======================= Grid point 343 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -3.070 5.237 -0.088) 6.071 1.276 ( -4.006 10.241 -2.169) 11.209 1.328 ( 1.484 -1.632 -1.114) 2.471 1.428 ( 0.733 -1.543 2.255) 2.829 1.459 ( 0.085 -1.739 1.874) 2.558 1.529 ( 0.212 -7.186 -2.915) 7.757 1.616 ( 2.041 0.800 -0.533) 2.256 1.651 ( 0.007 -3.481 -0.401) 3.504 1.716 ( -0.889 -1.565 -1.746) 2.507 2.224 ( -4.719 6.995 -0.006) 8.438 2.331 ( 1.869 -2.064 -0.920) 2.933 2.437 ( 6.818 -7.385 -0.113) 10.052 2.872 ( -5.242 8.571 -0.086) 10.048 3.043 ( -1.448 -4.407 -0.308) 4.649 3.167 ( 8.445 -4.152 0.024) 9.411 4.655 ( -0.216 1.021 0.090) 1.047 5.058 ( -4.547 4.049 0.022) 6.088 5.189 ( 3.899 -3.758 0.009) 5.415 5.375 ( -1.028 1.222 0.105) 1.600 5.823 ( -4.881 4.732 0.140) 6.800 5.980 ( 4.401 -4.683 -0.037) 6.427 6.340 ( -0.497 0.789 0.245) 0.964 6.481 ( -0.974 1.868 0.036) 2.107 6.517 ( 0.925 -2.022 0.088) 2.225 7.180 ( 0.756 0.079 -0.188) 0.783 7.476 ( -2.036 2.502 -1.179) 3.435 7.545 ( 0.942 -2.379 -0.035) 2.559 ======================= Grid point 344 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 8.684 -0.000 -1.221) 8.770 1.248 ( 8.597 -0.000 -1.815) 8.786 1.322 ( 2.464 -0.000 -0.553) 2.525 1.478 ( -0.860 0.000 3.043) 3.162 1.499 ( -11.527 0.000 0.350) 11.532 1.565 ( -3.229 0.000 0.822) 3.332 1.619 ( -4.467 -0.000 -1.195) 4.625 1.643 ( -2.491 -0.000 -1.368) 2.841 1.728 ( -2.380 -0.000 -0.334) 2.403 2.240 ( 11.355 0.000 0.093) 11.356 2.305 ( 0.326 -0.000 -1.309) 1.348 2.382 ( -10.302 -0.000 -0.351) 10.307 2.887 ( 10.062 0.000 0.079) 10.063 3.049 ( -1.653 0.000 0.075) 1.655 3.117 ( -7.025 -0.000 -0.437) 7.039 4.648 ( 1.701 0.000 0.061) 1.702 5.090 ( 5.522 0.000 0.044) 5.522 5.169 ( -6.074 -0.000 0.018) 6.074 5.380 ( 1.178 0.000 0.142) 1.186 5.857 ( 7.346 0.000 -0.008) 7.346 5.954 ( -7.692 0.000 0.150) 7.694 6.344 ( 0.674 0.000 0.107) 0.682 6.469 ( 2.442 0.000 0.030) 2.442 6.527 ( -2.155 -0.000 -0.072) 2.156 7.168 ( 0.658 -0.000 -0.189) 0.685 7.506 ( 2.058 0.000 0.459) 2.108 7.524 ( -2.758 -0.000 -1.050) 2.952 ======================= Grid point 345 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 8.969 0.000 0.000) 8.969 1.234 ( 8.647 0.000 0.000) 8.647 1.317 ( 2.275 0.000 0.000) 2.275 1.501 ( -11.115 -0.000 -0.000) 11.115 1.505 ( -0.727 -0.000 -0.000) 0.727 1.573 ( -8.085 -0.000 -0.000) 8.085 1.609 ( -0.425 -0.000 -0.000) 0.425 1.629 ( -2.325 -0.000 -0.000) 2.325 1.726 ( -3.181 -0.000 -0.000) 3.181 2.242 ( 12.302 0.000 0.000) 12.302 2.294 ( -0.147 -0.000 -0.000) 0.147 2.380 ( -10.312 -0.000 -0.000) 10.312 2.888 ( 9.996 0.000 0.000) 9.996 3.050 ( -1.627 -0.000 -0.000) 1.627 3.114 ( -6.990 -0.000 -0.000) 6.990 4.648 ( 1.711 0.000 0.000) 1.711 5.090 ( 5.487 0.000 0.000) 5.487 5.169 ( -6.060 -0.000 -0.000) 6.060 5.381 ( 1.153 0.000 0.000) 1.153 5.857 ( 7.348 0.000 0.000) 7.348 5.956 ( -7.720 -0.000 -0.000) 7.720 6.344 ( 0.715 0.000 0.000) 0.715 6.469 ( 2.498 0.000 0.000) 2.498 6.526 ( -2.143 -0.000 -0.000) 2.143 7.166 ( 0.672 0.000 0.000) 0.672 7.509 ( 1.918 0.000 0.000) 1.918 7.516 ( -2.770 -0.000 -0.000) 2.770 ======================= Grid point 351 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -0.000 12.527 -0.064) 12.527 0.827 ( -0.000 11.073 2.807) 11.423 1.328 ( -0.000 4.823 0.835) 4.894 1.438 ( 0.000 -1.502 -4.016) 4.287 1.531 ( 0.000 5.857 0.359) 5.868 1.626 ( 0.000 0.241 3.013) 3.023 1.750 ( -0.000 1.050 -0.673) 1.247 1.785 ( 0.000 -3.824 1.717) 4.192 1.894 ( -0.000 0.608 -3.451) 3.504 2.115 ( 0.000 -15.968 -2.035) 16.097 2.492 ( 0.000 -3.532 -0.892) 3.643 2.531 ( 0.000 4.369 0.193) 4.373 3.019 ( 0.000 -12.413 -0.710) 12.434 3.045 ( -0.000 -7.937 0.123) 7.938 3.542 ( -0.000 -0.792 -0.049) 0.793 4.544 ( 0.000 1.399 0.055) 1.400 4.772 ( -0.000 8.125 -0.058) 8.125 5.220 ( 0.000 2.896 -0.058) 2.896 5.411 ( -0.000 -2.941 0.029) 2.941 5.500 ( -0.000 9.818 0.109) 9.818 6.259 ( 0.000 -6.953 -0.362) 6.963 6.260 ( -0.000 1.317 0.055) 1.319 6.355 ( -0.000 3.858 0.228) 3.865 6.621 ( -0.000 -2.691 0.981) 2.864 7.206 ( 0.000 0.042 0.164) 0.169 7.325 ( 0.000 4.135 -1.366) 4.354 7.633 ( -0.000 -2.061 -0.306) 2.084 ======================= Grid point 352 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -1.213 14.101 -1.862) 14.275 0.968 ( -3.670 9.607 1.808) 10.442 1.371 ( 0.357 1.218 1.880) 2.268 1.405 ( -0.564 -0.251 -1.555) 1.673 1.558 ( 0.349 0.750 -0.441) 0.937 1.628 ( 0.190 -1.991 -0.188) 2.009 1.732 ( 1.621 -1.326 -1.870) 2.807 1.753 ( 0.723 -4.365 0.578) 4.462 1.895 ( 1.374 -8.155 -0.841) 8.313 1.971 ( -0.013 2.530 -1.214) 2.806 2.447 ( 1.255 -3.241 -0.778) 3.561 2.594 ( -2.204 5.719 0.115) 6.131 2.823 ( 6.256 -11.921 -0.322) 13.466 3.042 ( -5.817 -9.251 -0.211) 10.930 3.487 ( 6.294 -0.440 -0.000) 6.310 4.575 ( -2.138 1.329 0.056) 2.518 4.855 ( -1.353 7.724 -0.012) 7.841 5.265 ( -2.471 2.464 -0.034) 3.490 5.364 ( 2.102 -3.742 -0.012) 4.292 5.599 ( -1.587 8.863 0.128) 9.005 6.181 ( 1.713 -6.612 -0.239) 6.834 6.283 ( -1.292 1.184 0.108) 1.756 6.396 ( -0.669 3.644 0.110) 3.706 6.596 ( 0.735 -2.760 0.611) 2.920 7.201 ( 0.683 0.143 0.060) 0.701 7.363 ( -1.442 3.515 -1.211) 3.988 7.608 ( 0.311 -2.340 -0.351) 2.386 ======================= Grid point 353 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -3.761 14.324 -1.859) 14.926 1.130 ( -5.796 7.324 0.748) 9.370 1.349 ( 1.162 -0.952 -1.378) 2.038 1.445 ( -1.117 1.139 3.731) 4.058 1.530 ( 2.623 -2.895 1.199) 4.086 1.585 ( 0.925 -2.695 -3.419) 4.451 1.662 ( 2.667 -4.536 -0.895) 5.338 1.700 ( 1.052 -4.988 0.335) 5.109 1.737 ( 1.261 -8.570 -2.490) 9.014 2.089 ( -2.824 10.319 0.324) 10.703 2.385 ( 2.447 -2.761 -0.584) 3.735 2.617 ( 6.038 -9.634 -0.045) 11.370 2.715 ( -4.353 7.174 -0.025) 8.391 3.045 ( -5.312 -8.809 -0.211) 10.289 3.348 ( 10.539 -0.828 0.042) 10.572 4.624 ( -2.156 1.397 0.050) 2.569 4.952 ( -3.063 6.081 0.017) 6.809 5.283 ( 3.457 -4.100 -0.007) 5.363 5.329 ( -2.809 1.957 -0.002) 3.423 5.708 ( -3.245 6.807 0.095) 7.541 6.086 ( 3.167 -5.723 -0.102) 6.541 6.317 ( -1.453 1.093 0.158) 1.825 6.441 ( -1.197 2.797 0.017) 3.042 6.559 ( 1.276 -2.547 0.263) 2.861 7.190 ( 0.857 0.155 -0.052) 0.873 7.412 ( -2.050 2.826 -0.906) 3.607 7.578 ( 0.562 -2.409 -0.174) 2.480 ======================= Grid point 354 (140/171) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -4.433 10.026 -0.179) 10.963 1.254 ( -1.809 4.799 -0.682) 5.174 1.312 ( 1.413 -0.492 -0.737) 1.668 1.455 ( 1.633 -6.689 1.473) 7.042 1.491 ( -0.214 -2.848 -1.835) 3.394 1.497 ( -0.572 -1.259 2.126) 2.536 1.603 ( 0.240 0.013 -1.090) 1.117 1.646 ( 0.971 -2.885 -0.223) 3.053 1.696 ( -1.628 -1.750 -0.772) 2.512 2.224 ( -4.980 6.276 0.018) 8.012 2.322 ( 2.151 -1.797 -0.348) 2.825 2.436 ( 7.213 -7.224 -0.045) 10.208 2.871 ( -5.273 8.550 -0.032) 10.045 3.040 ( -1.649 -4.647 -0.119) 4.932 3.167 ( 8.702 -3.930 0.017) 9.548 4.656 ( -0.213 1.042 0.035) 1.064 5.058 ( -4.479 4.145 0.010) 6.102 5.189 ( 3.810 -3.844 0.001) 5.412 5.376 ( -1.091 1.227 0.041) 1.643 5.824 ( -4.886 4.742 0.053) 6.809 5.980 ( 4.361 -4.649 -0.015) 6.374 6.342 ( -0.459 0.804 0.089) 0.930 6.482 ( -1.106 1.811 0.011) 2.122 6.518 ( 1.150 -2.037 0.040) 2.339 7.178 ( 0.811 0.062 -0.073) 0.817 7.464 ( -2.261 2.252 -0.481) 3.228 7.545 ( 0.890 -2.205 0.016) 2.378 ======================= Grid point 362 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -0.000 9.076 0.136) 9.077 0.862 ( -0.000 10.211 1.944) 10.395 1.334 ( -0.000 9.257 0.107) 9.258 1.390 ( 0.000 -0.687 -2.525) 2.617 1.532 ( 0.000 1.475 -0.142) 1.482 1.669 ( 0.000 -1.675 2.866) 3.320 1.736 ( -0.000 -0.609 -1.457) 1.579 1.804 ( 0.000 -4.233 0.883) 4.324 1.860 ( -0.000 5.218 -1.127) 5.338 2.086 ( 0.000 -17.215 -1.712) 17.300 2.482 ( 0.000 -3.597 -0.553) 3.639 2.533 ( 0.000 4.428 0.119) 4.430 3.011 ( 0.000 -12.693 -0.420) 12.700 3.047 ( -0.000 -7.924 0.076) 7.925 3.542 ( -0.000 -0.813 -0.004) 0.813 4.545 ( 0.000 1.428 0.034) 1.428 4.771 ( -0.000 8.228 -0.075) 8.228 5.219 ( 0.000 2.914 -0.036) 2.915 5.411 ( -0.000 -3.015 0.020) 3.015 5.501 ( 0.000 9.921 0.060) 9.921 6.255 ( 0.000 -6.892 -0.216) 6.896 6.261 ( -0.000 1.322 0.034) 1.323 6.358 ( -0.000 3.774 0.136) 3.777 6.632 ( -0.000 -2.904 0.566) 2.958 7.208 ( 0.000 0.019 0.101) 0.103 7.309 ( 0.000 3.972 -0.818) 4.055 7.630 ( -0.000 -2.358 -0.185) 2.365 ======================= Grid point 363 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -1.022 12.751 -0.742) 12.813 0.988 ( -3.571 8.829 0.796) 9.557 1.364 ( 0.941 -0.501 -0.971) 1.443 1.420 ( -1.374 5.195 1.518) 5.584 1.539 ( -0.451 0.335 -1.310) 1.425 1.641 ( 1.606 -4.894 1.175) 5.283 1.705 ( 1.321 -0.883 -1.475) 2.168 1.760 ( 0.951 -4.420 0.256) 4.529 1.888 ( 2.183 -16.358 -0.247) 16.505 1.959 ( -1.375 9.982 -0.472) 10.088 2.439 ( 1.244 -3.267 -0.302) 3.509 2.595 ( -2.118 5.739 0.045) 6.117 2.820 ( 6.072 -12.001 -0.120) 13.450 3.040 ( -5.709 -9.217 -0.075) 10.842 3.487 ( 6.268 -0.436 0.008) 6.283 4.576 ( -2.129 1.351 0.021) 2.522 4.855 ( -1.336 7.829 -0.012) 7.942 5.265 ( -2.485 2.483 -0.011) 3.513 5.364 ( 2.101 -3.790 -0.008) 4.333 5.601 ( -1.588 8.883 0.048) 9.024 6.179 ( 1.692 -6.555 -0.091) 6.771 6.284 ( -1.361 1.189 0.041) 1.808 6.397 ( -0.649 3.571 0.040) 3.629 6.602 ( 0.807 -2.890 0.228) 3.009 7.202 ( 0.757 0.135 0.022) 0.770 7.351 ( -1.466 3.413 -0.458) 3.742 7.605 ( 0.199 -2.521 -0.133) 2.533 ======================= Grid point 364 (143/171) ======================= q-point: ( 0.90 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -3.804 14.368 0.000) 14.863 1.137 ( -5.842 6.661 0.000) 8.860 1.337 ( 1.421 -0.526 -0.000) 1.515 1.483 ( -1.237 2.251 0.000) 2.568 1.534 ( 0.017 -1.630 -0.000) 1.630 1.556 ( 3.806 -4.381 -0.000) 5.803 1.655 ( 2.276 -4.888 -0.000) 5.392 1.710 ( 0.398 -3.755 -0.000) 3.776 1.711 ( 1.875 -10.304 -0.000) 10.473 2.091 ( -2.927 9.950 0.000) 10.371 2.381 ( 2.475 -2.740 -0.000) 3.692 2.616 ( 6.037 -9.560 -0.000) 11.307 2.714 ( -4.348 7.158 0.000) 8.375 3.044 ( -5.293 -8.810 -0.000) 10.278 3.349 ( 10.537 -0.809 -0.000) 10.568 4.625 ( -2.155 1.411 0.000) 2.576 4.952 ( -3.037 6.140 0.000) 6.850 5.283 ( 3.448 -4.155 -0.000) 5.399 5.329 ( -2.849 1.978 0.000) 3.468 5.709 ( -3.242 6.811 0.000) 7.543 6.085 ( 3.148 -5.691 -0.000) 6.503 6.318 ( -1.477 1.101 0.000) 1.842 6.441 ( -1.202 2.754 0.000) 3.005 6.561 ( 1.341 -2.582 -0.000) 2.909 7.190 ( 0.898 0.147 0.000) 0.910 7.405 ( -2.070 2.773 0.000) 3.460 7.577 ( 0.465 -2.451 -0.000) 2.495 ======================= Grid point 374 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -0.000 7.578 0.000) 7.578 0.877 ( -0.000 9.871 0.000) 9.871 1.334 ( -0.000 11.132 0.000) 11.132 1.371 ( 0.000 -0.386 0.000) 0.386 1.531 ( 0.000 -0.040 0.000) 0.040 1.707 ( 0.000 -4.890 -0.000) 4.890 1.708 ( -0.000 0.623 0.000) 0.623 1.810 ( 0.000 -4.362 0.000) 4.362 1.855 ( -0.000 7.671 0.000) 7.671 2.073 ( 0.000 -17.971 0.000) 17.971 2.478 ( 0.000 -3.622 0.000) 3.622 2.534 ( -0.000 4.450 0.000) 4.450 3.008 ( 0.000 -12.797 0.000) 12.797 3.047 ( 0.000 -7.919 0.000) 7.919 3.542 ( 0.000 -0.822 0.000) 0.822 4.545 ( -0.000 1.439 0.000) 1.439 4.770 ( -0.000 8.277 0.000) 8.277 5.219 ( -0.000 2.921 0.000) 2.921 5.412 ( 0.000 -3.055 0.000) 3.055 5.502 ( -0.000 9.970 0.000) 9.970 6.253 ( 0.000 -6.871 0.000) 6.871 6.261 ( -0.000 1.324 0.000) 1.324 6.359 ( -0.000 3.742 0.000) 3.742 6.636 ( 0.000 -2.969 0.000) 2.969 7.209 ( -0.000 0.010 0.000) 0.010 7.303 ( -0.000 3.898 0.000) 3.898 7.628 ( 0.000 -2.473 0.000) 2.473 ======================= Grid point 392 (145/171) ======================= q-point: ( 0.40 0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -0.158 -0.000 -1.688) 1.695 1.283 ( 5.210 0.000 2.287) 5.690 1.365 ( 11.400 0.000 1.683) 11.524 1.424 ( -3.416 0.000 -2.166) 4.045 1.460 ( -1.120 0.000 1.326) 1.736 1.571 ( -1.425 -0.000 0.443) 1.492 1.661 ( -0.276 0.000 0.228) 0.358 1.670 ( -9.842 -0.000 0.679) 9.866 1.714 ( 1.161 0.000 -1.153) 1.637 2.270 ( 8.564 0.000 0.790) 8.600 2.363 ( -1.170 -0.000 0.747) 1.388 2.402 ( -10.295 -0.000 0.285) 10.299 2.883 ( 10.549 0.000 -0.066) 10.549 3.046 ( -1.795 -0.000 -0.029) 1.795 3.145 ( -7.311 0.000 0.439) 7.324 4.644 ( 1.619 0.000 -0.059) 1.620 5.086 ( 5.832 0.000 -0.076) 5.832 5.169 ( -6.197 -0.000 0.012) 6.198 5.372 ( 1.396 -0.000 -0.134) 1.402 5.857 ( 7.324 -0.000 0.005) 7.324 5.945 ( -7.493 0.000 -0.140) 7.494 6.335 ( 0.355 0.000 -0.166) 0.392 6.467 ( 1.981 0.000 -0.020) 1.981 6.532 ( -2.264 -0.000 0.106) 2.266 7.179 ( 0.551 -0.000 0.177) 0.579 7.478 ( 3.244 -0.000 -0.451) 3.276 7.588 ( -2.666 0.000 1.027) 2.857 ======================= Grid point 403 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -0.840 1.492 -0.383) 1.755 1.262 ( -4.996 5.128 -0.491) 7.176 1.358 ( -2.987 4.443 0.382) 5.368 1.454 ( -1.335 -3.541 0.770) 3.862 1.456 ( 1.697 5.487 0.389) 5.756 1.611 ( 1.717 -5.180 0.863) 5.525 1.623 ( 3.759 -3.016 -0.519) 4.847 1.695 ( 2.527 -3.520 1.258) 4.512 1.735 ( 1.409 -1.244 -0.702) 2.006 2.228 ( -4.726 9.128 0.064) 10.279 2.373 ( 1.162 -1.715 0.381) 2.106 2.441 ( 5.463 -8.737 0.033) 10.304 2.876 ( -5.079 8.607 0.037) 9.994 3.056 ( -0.353 -3.248 0.110) 3.269 3.168 ( 7.108 -5.185 0.028) 8.798 4.651 ( -0.232 0.931 -0.034) 0.960 5.057 ( -4.817 3.719 -0.002) 6.085 5.188 ( 4.243 -3.447 -0.013) 5.467 5.371 ( -0.763 1.201 -0.035) 1.423 5.817 ( -4.876 4.695 -0.056) 6.769 5.982 ( 4.558 -4.836 0.012) 6.645 6.329 ( -0.589 0.717 -0.109) 0.935 6.479 ( -0.484 1.892 -0.029) 1.953 6.515 ( -0.018 -1.724 -0.005) 1.724 7.188 ( 0.521 0.145 0.067) 0.545 7.511 ( 1.237 2.229 0.121) 2.552 7.563 ( -1.143 -1.795 0.338) 2.155 ======================= Grid point 404 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -0.203 -0.000 0.000) 0.203 1.302 ( 4.476 -0.000 -0.000) 4.476 1.377 ( 11.670 -0.000 -0.000) 11.670 1.406 ( -2.208 -0.000 0.000) 2.208 1.471 ( -1.602 -0.000 0.000) 1.602 1.575 ( -1.683 -0.000 0.000) 1.683 1.664 ( 0.603 0.000 -0.000) 0.603 1.675 ( -9.926 -0.000 0.000) 9.926 1.704 ( 1.200 -0.000 -0.000) 1.200 2.276 ( 8.312 0.000 -0.000) 8.312 2.368 ( -1.417 -0.000 0.000) 1.417 2.404 ( -10.304 -0.000 0.000) 10.304 2.882 ( 10.597 -0.000 -0.000) 10.597 3.046 ( -1.802 -0.000 0.000) 1.802 3.148 ( -7.343 0.000 0.000) 7.343 4.644 ( 1.609 -0.000 -0.000) 1.609 5.085 ( 5.870 -0.000 -0.000) 5.870 5.169 ( -6.213 -0.000 0.000) 6.213 5.371 ( 1.423 -0.000 -0.000) 1.423 5.857 ( 7.321 -0.000 -0.000) 7.321 5.944 ( -7.473 -0.000 0.000) 7.473 6.334 ( 0.321 -0.000 -0.000) 0.321 6.467 ( 1.928 0.000 -0.000) 1.928 6.533 ( -2.278 -0.000 0.000) 2.278 7.180 ( 0.539 -0.000 -0.000) 0.539 7.474 ( 3.385 -0.000 -0.000) 3.385 7.596 ( -2.655 -0.000 0.000) 2.655 ======================= Grid point 414 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -6.548 9.930 0.000) 11.895 1.175 ( -3.369 12.891 0.000) 13.324 1.274 ( -0.173 2.541 0.000) 2.547 1.455 ( 1.252 -0.840 -0.000) 1.507 1.486 ( -0.992 -6.323 -0.000) 6.400 1.668 ( 1.058 -2.357 -0.000) 2.584 1.725 ( 4.199 -2.094 -0.000) 4.693 1.754 ( 0.633 -0.537 -0.000) 0.830 1.832 ( 3.752 -11.940 -0.000) 12.516 2.069 ( -2.130 13.362 0.000) 13.530 2.424 ( 2.296 -2.627 -0.000) 3.489 2.622 ( 5.934 -10.111 -0.000) 11.724 2.718 ( -4.308 7.148 0.000) 8.346 3.061 ( -5.413 -8.760 -0.000) 10.298 3.347 ( 10.566 -1.021 -0.000) 10.615 4.621 ( -2.165 1.264 0.000) 2.507 4.950 ( -3.329 5.668 0.000) 6.573 5.284 ( 3.666 -3.784 -0.000) 5.268 5.329 ( -2.601 1.900 0.000) 3.221 5.701 ( -3.272 6.770 0.000) 7.519 6.093 ( 3.357 -6.038 -0.000) 6.909 6.305 ( -1.183 1.030 0.000) 1.569 6.439 ( -1.180 3.152 0.000) 3.365 6.541 ( 0.621 -2.108 -0.000) 2.198 7.194 ( 0.470 0.228 0.000) 0.523 7.474 ( -1.631 3.201 0.000) 3.593 7.591 ( 1.280 -1.942 -0.000) 2.325 ======================= Grid point 424 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.000 11.170 0.000) 11.170 1.127 ( -0.000 16.804 0.000) 16.804 1.274 ( -0.000 1.715 0.000) 1.715 1.464 ( 0.000 -7.401 -0.000) 7.401 1.484 ( 0.000 -2.491 -0.000) 2.491 1.694 ( 0.000 -0.147 -0.000) 0.147 1.741 ( -0.000 2.602 0.000) 2.602 1.796 ( 0.000 -0.270 -0.000) 0.270 1.880 ( 0.000 -16.414 -0.000) 16.414 2.077 ( -0.000 13.242 0.000) 13.242 2.470 ( 0.000 -2.033 -0.000) 2.033 2.619 ( -0.000 6.132 0.000) 6.132 2.805 ( 0.000 -13.990 -0.000) 13.990 2.892 ( 0.000 -8.343 -0.000) 8.343 3.540 ( 0.000 -0.059 -0.000) 0.059 4.562 ( -0.000 0.768 0.000) 0.768 4.909 ( -0.000 6.573 0.000) 6.573 5.264 ( -0.000 1.669 0.000) 1.669 5.348 ( 0.000 -3.479 -0.000) 3.479 5.659 ( -0.000 7.697 0.000) 7.697 6.146 ( 0.000 -6.183 -0.000) 6.183 6.278 ( -0.000 0.806 0.000) 0.806 6.422 ( -0.000 3.910 0.000) 3.910 6.551 ( 0.000 -2.253 -0.000) 2.253 7.202 ( -0.000 0.055 0.000) 0.055 7.441 ( -0.000 3.259 0.000) 3.259 7.617 ( 0.000 -1.484 -0.000) 1.484 ======================= Grid point 425 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -3.469 7.706 0.123) 8.451 1.236 ( -0.336 4.086 0.903) 4.198 1.324 ( 0.118 9.747 -0.815) 9.782 1.408 ( -0.979 -5.797 -0.281) 5.886 1.468 ( 0.369 0.811 0.382) 0.969 1.669 ( 2.252 -4.097 -0.272) 4.683 1.734 ( -0.317 -7.585 -2.056) 7.865 1.753 ( 0.348 -2.339 0.065) 2.365 1.769 ( 1.932 -2.217 0.026) 2.941 2.190 ( 1.391 12.504 -0.148) 12.582 2.440 ( 1.830 -1.167 -0.307) 2.192 2.621 ( 5.514 -9.613 -0.077) 11.082 2.718 ( -3.949 7.232 -0.003) 8.239 2.877 ( -5.962 -9.577 -0.049) 11.281 3.486 ( 6.770 -0.029 -0.026) 6.770 4.588 ( -2.442 0.451 0.032) 2.483 4.965 ( -0.954 3.942 0.069) 4.057 5.297 ( -2.414 0.774 -0.051) 2.535 5.302 ( 2.154 -2.366 0.014) 3.200 5.725 ( -1.044 4.740 0.055) 4.854 6.085 ( 1.718 -4.036 -0.057) 4.387 6.293 ( -1.111 0.449 0.044) 1.199 6.457 ( -0.355 3.013 0.001) 3.033 6.528 ( 0.295 -2.208 0.172) 2.234 7.201 ( 0.260 0.055 0.020) 0.266 7.473 ( -1.274 2.045 -0.507) 2.462 7.596 ( 1.070 -1.206 -0.222) 1.627 ======================= Grid point 426 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -5.744 -0.000 -0.150) 5.746 1.261 ( -0.050 0.000 1.907) 1.908 1.362 ( 0.203 -0.000 -0.473) 0.514 1.398 ( -1.707 -0.000 -0.446) 1.764 1.504 ( -1.698 -0.000 -0.773) 1.866 1.568 ( 2.990 -0.000 -1.745) 3.462 1.691 ( 0.824 -0.000 -1.606) 1.805 1.697 ( 4.954 -0.000 -0.340) 4.966 1.746 ( 0.349 -0.000 -0.200) 0.402 2.238 ( -0.484 -0.000 -0.334) 0.589 2.394 ( 2.700 -0.000 -0.638) 2.774 2.484 ( 5.703 0.000 0.209) 5.707 2.859 ( -4.826 -0.000 -0.061) 4.826 2.905 ( -7.644 -0.000 -0.231) 7.647 3.340 ( 11.581 0.000 0.015) 11.581 4.633 ( -2.497 0.000 0.069) 2.498 5.012 ( -2.895 0.000 0.107) 2.897 5.239 ( 3.997 -0.000 -0.072) 3.998 5.347 ( -2.838 -0.000 0.014) 2.838 5.777 ( -2.933 0.000 0.105) 2.935 6.025 ( 3.520 -0.000 -0.049) 3.520 6.317 ( -1.383 0.000 0.174) 1.394 6.482 ( -0.878 -0.000 -0.098) 0.883 6.509 ( 0.768 0.000 0.270) 0.814 7.195 ( 0.455 -0.000 -0.052) 0.458 7.507 ( -2.307 -0.000 -0.998) 2.513 7.562 ( 2.075 -0.000 -0.197) 2.085 ======================= Grid point 436 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.000 10.857 0.719) 10.881 1.122 ( -0.000 17.521 -0.932) 17.545 1.280 ( -0.000 0.769 1.020) 1.278 1.455 ( 0.000 -6.592 -1.255) 6.710 1.493 ( 0.000 -2.569 1.236) 2.851 1.698 ( 0.000 -0.723 0.549) 0.908 1.726 ( -0.000 2.116 -2.011) 2.919 1.791 ( 0.000 -0.823 -0.777) 1.132 1.869 ( 0.000 -15.832 -1.500) 15.902 2.074 ( -0.000 13.338 -0.284) 13.341 2.465 ( 0.000 -2.050 -0.602) 2.136 2.620 ( -0.000 6.141 0.163) 6.143 2.801 ( 0.000 -13.952 -0.601) 13.965 2.893 ( 0.000 -8.331 0.099) 8.331 3.539 ( 0.000 -0.051 -0.082) 0.096 4.563 ( -0.000 0.775 0.056) 0.777 4.910 ( -0.000 6.610 0.099) 6.611 5.264 ( -0.000 1.676 -0.016) 1.676 5.348 ( 0.000 -3.514 -0.014) 3.514 5.660 ( -0.000 7.701 0.099) 7.701 6.145 ( 0.000 -6.151 -0.160) 6.153 6.278 ( -0.000 0.807 0.037) 0.807 6.422 ( -0.000 3.871 0.067) 3.872 6.554 ( 0.000 -2.328 0.420) 2.365 7.203 ( -0.000 0.050 0.084) 0.098 7.434 ( -0.000 3.243 -0.949) 3.379 7.614 ( 0.000 -1.557 -0.434) 1.616 ======================= Grid point 437 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -3.332 7.132 0.349) 7.880 1.255 ( -0.327 8.745 0.929) 8.800 1.307 ( -0.086 5.804 -0.802) 5.859 1.401 ( -0.795 -4.708 -0.761) 4.835 1.480 ( 0.703 -0.304 1.289) 1.499 1.657 ( 2.204 -8.329 -1.838) 8.809 1.699 ( -0.017 -2.922 -2.179) 3.645 1.742 ( 0.394 -2.107 -1.408) 2.565 1.764 ( 1.345 -3.417 -0.820) 3.763 2.186 ( 1.211 12.034 -0.392) 12.101 2.432 ( 1.785 -1.196 -0.806) 2.295 2.619 ( 5.297 -9.545 -0.190) 10.917 2.718 ( -3.877 7.339 0.009) 8.300 2.876 ( -5.791 -9.470 -0.114) 11.101 3.485 ( 6.721 -0.021 -0.049) 6.721 4.589 ( -2.441 0.460 0.085) 2.486 4.967 ( -0.919 4.021 0.185) 4.129 5.296 ( -1.696 0.329 -0.083) 1.730 5.302 ( 1.433 -1.980 -0.025) 2.444 5.726 ( -1.048 4.738 0.141) 4.855 6.083 ( 1.684 -4.000 -0.149) 4.343 6.294 ( -1.186 0.450 0.115) 1.274 6.457 ( -0.337 2.904 -0.009) 2.923 6.533 ( 0.368 -2.202 0.458) 2.279 7.201 ( 0.328 0.050 0.052) 0.336 7.460 ( -1.279 2.007 -1.331) 2.727 7.590 ( 0.927 -1.263 -0.578) 1.670 ======================= Grid point 438 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -5.565 -0.000 -0.154) 5.567 1.298 ( 0.202 0.000 3.001) 3.008 1.346 ( -0.750 -0.000 -1.752) 1.905 1.391 ( -1.273 -0.000 -0.325) 1.314 1.495 ( -0.515 -0.000 -0.275) 0.583 1.532 ( 2.601 -0.000 -3.227) 4.145 1.666 ( 1.055 -0.000 -1.680) 1.984 1.690 ( 4.403 -0.000 -0.640) 4.449 1.735 ( -0.421 -0.000 -1.408) 1.470 2.231 ( -0.627 -0.000 -0.597) 0.866 2.382 ( 2.834 -0.000 -0.950) 2.989 2.488 ( 5.538 0.000 0.337) 5.549 2.858 ( -4.804 -0.000 -0.086) 4.805 2.901 ( -7.461 -0.000 -0.366) 7.470 3.340 ( 11.520 0.000 0.049) 11.520 4.635 ( -2.505 0.000 0.111) 2.508 5.015 ( -2.809 0.000 0.186) 2.815 5.238 ( 3.942 -0.000 -0.132) 3.944 5.347 ( -2.886 -0.000 0.022) 2.886 5.779 ( -2.934 0.000 0.165) 2.939 6.024 ( 3.461 -0.000 -0.082) 3.462 6.320 ( -1.478 0.000 0.278) 1.504 6.481 ( -0.855 -0.000 -0.158) 0.870 6.514 ( 0.913 0.000 0.438) 1.013 7.194 ( 0.571 -0.000 -0.088) 0.577 7.487 ( -2.273 -0.000 -1.624) 2.794 7.559 ( 1.705 -0.000 -0.313) 1.733 ======================= Grid point 448 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -0.000 9.985 1.247) 10.063 1.097 ( -0.000 17.744 -2.532) 17.924 1.308 ( 0.000 -0.020 2.872) 2.872 1.431 ( -0.000 -4.701 -2.016) 5.115 1.517 ( 0.000 -2.684 2.102) 3.409 1.686 ( -0.000 1.000 -3.412) 3.555 1.708 ( 0.000 -1.951 0.784) 2.103 1.773 ( 0.000 -2.251 -1.730) 2.839 1.839 ( 0.000 -14.551 -2.529) 14.769 2.070 ( 0.000 13.512 -0.355) 13.517 2.454 ( -0.000 -2.093 -0.976) 2.309 2.623 ( 0.000 6.164 0.260) 6.169 2.789 ( 0.000 -13.844 -0.925) 13.874 2.895 ( -0.000 -8.296 0.163) 8.298 3.538 ( 0.000 -0.037 -0.096) 0.103 4.564 ( 0.000 0.792 0.091) 0.798 4.912 ( -0.000 6.727 0.148) 6.728 5.263 ( -0.000 1.695 -0.027) 1.695 5.348 ( -0.000 -3.607 -0.043) 3.607 5.662 ( 0.000 7.707 0.159) 7.709 6.142 ( 0.000 -6.072 -0.253) 6.077 6.279 ( 0.000 0.808 0.060) 0.810 6.424 ( -0.000 3.766 0.093) 3.768 6.562 ( -0.000 -2.505 0.672) 2.594 7.204 ( 0.000 0.037 0.136) 0.141 7.415 ( 0.000 3.189 -1.534) 3.539 7.605 ( 0.000 -1.750 -0.699) 1.884 ======================= Grid point 449 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -3.150 6.147 0.498) 6.926 1.233 ( -0.577 14.975 -3.226) 15.330 1.331 ( 0.161 -0.155 3.354) 3.361 1.389 ( -0.658 -2.819 -0.637) 2.964 1.503 ( 1.131 -1.347 1.893) 2.584 1.613 ( 1.108 -11.285 -3.770) 11.950 1.678 ( 1.191 -1.209 -1.318) 2.149 1.716 ( -0.389 -2.177 -2.110) 3.057 1.746 ( 1.497 -2.868 -1.572) 3.597 2.180 ( 0.933 11.176 -0.504) 11.226 2.418 ( 1.712 -1.228 -0.999) 2.332 2.616 ( 4.895 -9.339 -0.203) 10.547 2.718 ( -3.727 7.452 0.041) 8.332 2.874 ( -5.506 -9.309 -0.116) 10.816 3.484 ( 6.646 -0.012 -0.025) 6.646 4.591 ( -2.441 0.474 0.104) 2.489 4.970 ( -0.864 4.165 0.236) 4.261 5.295 ( -1.122 -0.073 -0.048) 1.126 5.301 ( 0.847 -1.682 -0.110) 1.886 5.728 ( -1.054 4.733 0.170) 4.852 6.081 ( 1.631 -3.943 -0.183) 4.271 6.296 ( -1.307 0.452 0.142) 1.390 6.457 ( -0.308 2.732 -0.029) 2.750 6.540 ( 0.480 -2.190 0.575) 2.314 7.202 ( 0.441 0.043 0.062) 0.447 7.438 ( -1.286 1.938 -1.653) 2.854 7.580 ( 0.694 -1.353 -0.710) 1.679 ======================= Grid point 450 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -5.393 0.000 0.053) 5.393 1.313 ( -2.026 -0.000 -2.714) 3.387 1.332 ( 0.871 0.000 1.179) 1.466 1.401 ( -0.992 0.000 2.344) 2.545 1.482 ( 1.973 -0.000 -3.459) 3.982 1.498 ( 1.219 0.000 0.519) 1.325 1.642 ( 0.958 -0.000 -1.774) 2.016 1.680 ( 3.563 -0.000 -0.697) 3.630 1.708 ( -0.941 -0.000 -2.254) 2.443 2.222 ( -0.800 -0.000 -0.672) 1.044 2.368 ( 2.864 -0.000 -0.868) 2.992 2.493 ( 5.429 0.000 0.356) 5.441 2.857 ( -4.767 -0.000 -0.071) 4.767 2.895 ( -7.235 -0.000 -0.358) 7.243 3.341 ( 11.449 0.000 0.079) 11.449 4.636 ( -2.516 0.000 0.110) 2.519 5.017 ( -2.704 0.000 0.202) 2.711 5.236 ( 3.876 -0.000 -0.153) 3.879 5.347 ( -2.955 -0.000 0.022) 2.956 5.781 ( -2.936 0.000 0.159) 2.940 6.022 ( 3.391 -0.000 -0.086) 3.393 6.324 ( -1.588 0.000 0.274) 1.612 6.478 ( -0.831 -0.000 -0.158) 0.846 6.520 ( 1.085 0.000 0.440) 1.171 7.193 ( 0.715 -0.000 -0.094) 0.721 7.463 ( -2.230 -0.000 -1.636) 2.765 7.554 ( 1.245 -0.000 -0.307) 1.282 ======================= Grid point 460 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.000 8.770 1.388) 8.879 1.055 ( -0.000 16.705 -3.093) 16.989 1.359 ( -0.000 0.540 4.121) 4.156 1.401 ( -0.000 -2.594 -2.073) 3.321 1.548 ( 0.000 -2.444 2.050) 3.190 1.634 ( -0.000 -0.345 -3.591) 3.607 1.719 ( 0.000 -3.098 0.693) 3.174 1.742 ( 0.000 -4.223 -2.483) 4.899 1.801 ( 0.000 -13.279 -2.751) 13.562 2.065 ( 0.000 13.543 -0.252) 13.545 2.439 ( 0.000 -2.146 -0.977) 2.358 2.627 ( 0.000 6.188 0.255) 6.193 2.776 ( 0.000 -13.691 -0.864) 13.718 2.897 ( -0.000 -8.250 0.165) 8.252 3.537 ( 0.000 -0.028 -0.053) 0.060 4.565 ( 0.000 0.814 0.091) 0.819 4.914 ( -0.000 6.910 0.134) 6.911 5.263 ( -0.000 1.718 -0.027) 1.718 5.347 ( -0.000 -3.725 -0.066) 3.726 5.664 ( 0.000 7.713 0.157) 7.715 6.138 ( 0.000 -5.981 -0.247) 5.986 6.280 ( 0.000 0.810 0.060) 0.812 6.425 ( -0.000 3.633 0.076) 3.634 6.572 ( -0.000 -2.693 0.662) 2.774 7.206 ( 0.000 0.021 0.136) 0.138 7.393 ( 0.000 3.101 -1.532) 3.459 7.595 ( 0.000 -1.990 -0.696) 2.108 ======================= Grid point 461 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -3.057 5.106 0.514) 5.973 1.185 ( -0.805 14.900 -3.133) 15.247 1.361 ( 1.068 -1.229 -0.053) 1.629 1.408 ( -1.052 0.280 3.943) 4.091 1.527 ( 1.505 -3.462 0.917) 3.885 1.565 ( 0.661 -9.766 -2.340) 10.064 1.644 ( 0.330 -3.293 -3.546) 4.850 1.695 ( 0.251 -2.026 -0.620) 2.133 1.723 ( 1.580 -1.836 -1.593) 2.899 2.173 ( 0.673 10.215 -0.435) 10.247 2.405 ( 1.636 -1.241 -0.810) 2.208 2.614 ( 4.456 -9.040 -0.131) 10.079 2.719 ( -3.551 7.508 0.051) 8.305 2.873 ( -5.214 -9.159 -0.075) 10.539 3.484 ( 6.576 -0.006 0.009) 6.576 4.592 ( -2.440 0.487 0.084) 2.489 4.973 ( -0.810 4.333 0.197) 4.412 5.295 ( -0.625 -0.494 0.014) 0.797 5.299 ( 0.331 -1.372 -0.161) 1.421 5.731 ( -1.058 4.727 0.134) 4.846 6.079 ( 1.582 -3.886 -0.148) 4.199 6.298 ( -1.428 0.454 0.114) 1.503 6.456 ( -0.277 2.569 -0.035) 2.584 6.548 ( 0.582 -2.179 0.469) 2.303 7.203 ( 0.558 0.036 0.047) 0.561 7.416 ( -1.292 1.859 -1.344) 2.632 7.571 ( 0.457 -1.444 -0.571) 1.618 ======================= Grid point 462 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -5.371 0.000 0.351) 5.383 1.276 ( -2.793 -0.000 -2.194) 3.552 1.334 ( 1.350 -0.000 -0.308) 1.385 1.432 ( 1.624 -0.000 -1.220) 2.031 1.461 ( -0.654 0.000 3.281) 3.346 1.506 ( 2.657 0.000 0.513) 2.706 1.609 ( -0.239 -0.000 -3.026) 3.035 1.672 ( 2.671 -0.000 -0.433) 2.706 1.680 ( -0.442 -0.000 -1.344) 1.414 2.214 ( -0.939 -0.000 -0.455) 1.043 2.358 ( 2.803 -0.000 -0.501) 2.847 2.497 ( 5.389 0.000 0.235) 5.394 2.856 ( -4.729 -0.000 -0.037) 4.729 2.891 ( -7.050 -0.000 -0.217) 7.054 3.342 ( 11.394 0.000 0.064) 11.394 4.637 ( -2.525 0.000 0.068) 2.526 5.020 ( -2.618 0.000 0.134) 2.622 5.234 ( 3.824 -0.000 -0.105) 3.826 5.348 ( -3.019 -0.000 0.014) 3.019 5.783 ( -2.938 0.000 0.095) 2.940 6.021 ( 3.336 -0.000 -0.055) 3.337 6.327 ( -1.670 0.000 0.167) 1.679 6.476 ( -0.815 -0.000 -0.097) 0.821 6.526 ( 1.219 0.000 0.273) 1.249 7.192 ( 0.834 -0.000 -0.062) 0.836 7.444 ( -2.193 -0.000 -1.016) 2.417 7.550 ( 0.872 -0.000 -0.186) 0.891 ======================= Grid point 464 (161/171) ======================= q-point: ( 1.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -5.497 -0.000 -0.000) 5.497 1.259 ( -2.918 -0.000 -0.000) 2.918 1.332 ( 1.548 0.000 0.000) 1.548 1.418 ( 1.658 0.000 0.000) 1.658 1.503 ( -0.120 -0.000 -0.000) 0.120 1.510 ( 3.235 0.000 0.000) 3.235 1.574 ( -1.574 -0.000 -0.000) 1.574 1.669 ( 2.260 0.000 0.000) 2.260 1.671 ( 0.042 0.000 0.000) 0.042 2.210 ( -0.992 -0.000 -0.000) 0.992 2.355 ( 2.763 0.000 0.000) 2.763 2.499 ( 5.382 0.000 0.000) 5.382 2.856 ( -4.713 -0.000 -0.000) 4.713 2.890 ( -6.980 -0.000 -0.000) 6.980 3.343 ( 11.373 0.000 0.000) 11.373 4.638 ( -2.529 -0.000 -0.000) 2.529 5.021 ( -2.586 -0.000 -0.000) 2.586 5.233 ( 3.805 0.000 0.000) 3.805 5.348 ( -3.044 -0.000 -0.000) 3.044 5.784 ( -2.939 -0.000 -0.000) 2.939 6.021 ( 3.316 0.000 0.000) 3.316 6.328 ( -1.700 -0.000 -0.000) 1.700 6.476 ( -0.810 -0.000 -0.000) 0.810 6.528 ( 1.269 0.000 0.000) 1.269 7.191 ( 0.879 0.000 0.000) 0.879 7.436 ( -2.179 -0.000 -0.000) 2.179 7.549 ( 0.729 0.000 0.000) 0.729 ======================= Grid point 475 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -0.000 15.626 -2.062) 15.761 1.029 ( -0.000 7.620 0.956) 7.680 1.375 ( -0.000 -0.916 -1.350) 1.632 1.419 ( -0.000 1.905 4.143) 4.560 1.555 ( 0.000 0.049 -2.045) 2.045 1.605 ( 0.000 -3.765 0.277) 3.775 1.708 ( 0.000 -6.132 -2.107) 6.484 1.727 ( 0.000 -3.832 0.395) 3.852 1.765 ( 0.000 -12.482 -2.012) 12.643 2.063 ( -0.000 13.397 -0.117) 13.398 2.428 ( 0.000 -2.189 -0.605) 2.271 2.630 ( 0.000 6.204 0.155) 6.206 2.766 ( 0.000 -13.549 -0.503) 13.558 2.899 ( -0.000 -8.210 0.103) 8.211 3.536 ( 0.000 -0.027 -0.012) 0.029 4.566 ( 0.000 0.831 0.056) 0.833 4.916 ( -0.000 7.088 0.076) 7.089 5.263 ( -0.000 1.736 -0.017) 1.736 5.346 ( -0.000 -3.826 -0.051) 3.826 5.666 ( 0.000 7.716 0.096) 7.717 6.135 ( 0.000 -5.911 -0.151) 5.913 6.280 ( 0.000 0.812 0.037) 0.813 6.426 ( -0.000 3.523 0.041) 3.523 6.579 ( -0.000 -2.824 0.404) 2.852 7.208 ( 0.000 0.009 0.084) 0.084 7.374 ( 0.000 3.013 -0.946) 3.158 7.587 ( 0.000 -2.186 -0.429) 2.227 ======================= Grid point 476 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -3.214 4.297 0.317) 5.375 1.151 ( -0.749 14.847 -1.349) 14.927 1.355 ( 1.095 -0.341 -0.304) 1.187 1.470 ( -0.568 0.952 4.004) 4.155 1.514 ( 0.660 -7.942 -1.728) 8.155 1.562 ( 1.524 -3.502 0.662) 3.876 1.591 ( -0.473 -6.641 -3.122) 7.354 1.692 ( 0.786 -2.366 -0.049) 2.493 1.705 ( 1.490 -0.980 -0.770) 1.942 2.168 ( 0.523 9.577 -0.175) 9.593 2.397 ( 1.587 -1.240 -0.309) 2.037 2.613 ( 4.174 -8.817 -0.041) 9.755 2.719 ( -3.435 7.521 0.023) 8.268 2.872 ( -5.031 -9.071 -0.025) 10.373 3.485 ( 6.534 -0.003 0.010) 6.535 4.593 ( -2.439 0.496 0.032) 2.489 4.975 ( -0.777 4.448 0.077) 4.516 5.295 ( 0.134 -1.165 0.083) 1.175 5.297 ( -0.442 -0.777 -0.144) 0.905 5.732 ( -1.060 4.722 0.050) 4.840 6.077 ( 1.553 -3.852 -0.057) 4.154 6.299 ( -1.502 0.455 0.044) 1.570 6.456 ( -0.257 2.473 -0.015) 2.486 6.553 ( 0.642 -2.173 0.180) 2.273 7.203 ( 0.632 0.032 0.017) 0.633 7.402 ( -1.296 1.805 -0.515) 2.281 7.565 ( 0.309 -1.499 -0.217) 1.546 ======================= Grid point 487 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -0.000 15.196 0.000) 15.196 1.037 ( -0.000 7.124 0.000) 7.124 1.365 ( 0.000 -0.251 0.000) 0.251 1.459 ( -0.000 3.759 0.000) 3.759 1.526 ( 0.000 -0.616 -0.000) 0.616 1.613 ( 0.000 -4.708 0.000) 4.708 1.691 ( 0.000 -6.683 0.000) 6.683 1.730 ( 0.000 -4.079 0.000) 4.079 1.750 ( 0.000 -12.395 0.000) 12.395 2.062 ( -0.000 13.300 0.000) 13.300 2.423 ( 0.000 -2.205 0.000) 2.205 2.631 ( -0.000 6.209 0.000) 6.209 2.763 ( 0.000 -13.489 0.000) 13.489 2.900 ( 0.000 -8.194 0.000) 8.194 3.536 ( 0.000 -0.027 0.000) 0.027 4.567 ( -0.000 0.838 0.000) 0.838 4.916 ( -0.000 7.163 0.000) 7.163 5.262 ( -0.000 1.743 0.000) 1.743 5.346 ( 0.000 -3.865 0.000) 3.865 5.667 ( -0.000 7.717 0.000) 7.717 6.134 ( 0.000 -5.885 0.000) 5.885 6.281 ( -0.000 0.812 0.000) 0.812 6.426 ( -0.000 3.480 0.000) 3.480 6.582 ( 0.000 -2.869 0.000) 2.869 7.209 ( -0.000 0.004 0.000) 0.004 7.367 ( -0.000 2.976 0.000) 2.976 7.584 ( 0.000 -2.261 0.000) 2.261 ======================= Grid point 529 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -5.818 -0.000 0.000) 5.818 1.247 ( -0.109 -0.000 0.000) 0.109 1.364 ( 0.445 -0.000 -0.000) 0.445 1.401 ( -1.902 -0.000 0.000) 1.902 1.511 ( -2.014 0.000 0.000) 2.014 1.580 ( 3.081 -0.000 -0.000) 3.081 1.700 ( 5.150 -0.000 -0.000) 5.150 1.704 ( 0.640 -0.000 -0.000) 0.640 1.746 ( 0.790 -0.000 -0.000) 0.790 2.241 ( -0.429 -0.000 0.000) 0.429 2.398 ( 2.612 -0.000 -0.000) 2.612 2.482 ( 5.795 0.000 -0.000) 5.795 2.860 ( -4.832 -0.000 0.000) 4.832 2.907 ( -7.713 0.000 0.000) 7.713 3.340 ( 11.605 -0.000 -0.000) 11.605 4.633 ( -2.493 -0.000 0.000) 2.493 5.012 ( -2.928 -0.000 0.000) 2.928 5.240 ( 4.019 -0.000 -0.000) 4.019 5.347 ( -2.822 -0.000 0.000) 2.822 5.776 ( -2.933 -0.000 0.000) 2.933 6.025 ( 3.543 -0.000 -0.000) 3.543 6.315 ( -1.346 -0.000 0.000) 1.346 6.483 ( -0.887 0.000 0.000) 0.887 6.507 ( 0.711 -0.000 -0.000) 0.711 7.196 ( 0.411 -0.000 -0.000) 0.411 7.514 ( -2.319 -0.000 0.000) 2.319 7.564 ( 2.217 -0.000 -0.000) 2.217 ======================= Grid point 541 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -0.000 0.000 0.000) 0.000 1.243 ( -0.000 0.000 0.000) 0.000 1.370 ( -0.000 0.000 0.000) 0.000 1.391 ( -0.000 0.000 0.000) 0.000 1.486 ( 0.000 -0.000 -0.000) 0.000 1.640 ( -0.000 0.000 0.000) 0.000 1.692 ( -0.000 0.000 0.000) 0.000 1.755 ( -0.000 0.000 0.000) 0.000 1.779 ( -0.000 0.000 0.000) 0.000 2.277 ( -0.000 0.000 0.000) 0.000 2.451 ( -0.000 0.000 0.000) 0.000 2.620 ( 0.000 -0.000 -0.000) 0.000 2.736 ( -0.000 0.000 0.000) 0.000 2.755 ( 0.000 -0.000 -0.000) 0.000 3.540 ( -0.000 0.000 0.000) 0.000 4.569 ( -0.000 0.000 0.000) 0.000 4.977 ( -0.000 0.000 0.000) 0.000 5.279 ( -0.000 0.000 0.000) 0.000 5.309 ( -0.000 0.000 0.000) 0.000 5.740 ( -0.000 0.000 0.000) 0.000 6.079 ( -0.000 0.000 0.000) 0.000 6.285 ( -0.000 0.000 0.000) 0.000 6.472 ( 0.000 -0.000 -0.000) 0.000 6.517 ( -0.000 0.000 0.000) 0.000 7.203 ( -0.000 0.000 0.000) 0.000 7.474 ( -0.000 0.000 0.000) 0.000 7.600 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 553 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.000 0.000 0.081) 0.081 1.259 ( 0.000 0.000 2.126) 2.126 1.370 ( -0.000 -0.000 -0.070) 0.070 1.382 ( -0.000 0.000 -1.417) 1.417 1.486 ( 0.000 -0.000 0.224) 0.224 1.620 ( -0.000 0.000 -2.654) 2.654 1.692 ( -0.000 0.000 -0.093) 0.093 1.746 ( -0.000 0.000 -1.311) 1.311 1.775 ( -0.000 -0.000 -0.634) 0.634 2.273 ( -0.000 0.000 -0.591) 0.591 2.446 ( -0.000 0.000 -0.624) 0.624 2.617 ( -0.000 -0.000 -0.366) 0.366 2.738 ( 0.000 0.000 0.269) 0.269 2.755 ( 0.000 -0.000 0.023) 0.023 3.539 ( -0.000 0.000 -0.073) 0.073 4.570 ( 0.000 0.000 0.064) 0.064 4.979 ( 0.000 -0.000 0.181) 0.181 5.279 ( -0.000 -0.000 -0.007) 0.007 5.309 ( -0.000 0.000 -0.086) 0.086 5.741 ( 0.000 0.000 0.100) 0.100 6.078 ( -0.000 -0.000 -0.118) 0.118 6.286 ( 0.000 0.000 0.038) 0.038 6.471 ( -0.000 -0.000 -0.058) 0.058 6.520 ( 0.000 0.000 0.405) 0.405 7.203 ( 0.000 -0.000 0.078) 0.078 7.467 ( -0.000 0.000 -0.976) 0.976 7.596 ( -0.000 0.000 -0.526) 0.526 ======================= Grid point 565 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 0.000 0.130) 0.130 1.302 ( 0.000 0.000 3.783) 3.783 1.349 ( -0.000 -0.000 -3.212) 3.212 1.368 ( -0.000 -0.000 -0.140) 0.140 1.498 ( 0.000 -0.000 1.410) 1.410 1.570 ( -0.000 0.000 -4.199) 4.199 1.690 ( -0.000 0.000 -0.128) 0.128 1.716 ( -0.000 0.000 -2.830) 2.830 1.761 ( -0.000 -0.000 -1.218) 1.218 2.261 ( -0.000 0.000 -0.991) 0.991 2.434 ( -0.000 0.000 -1.010) 1.010 2.610 ( -0.000 -0.000 -0.518) 0.518 2.743 ( 0.000 0.000 0.432) 0.432 2.755 ( 0.000 -0.000 0.037) 0.037 3.538 ( -0.000 0.000 -0.087) 0.087 4.571 ( 0.000 0.000 0.104) 0.104 4.982 ( 0.000 -0.000 0.304) 0.304 5.279 ( -0.000 -0.000 -0.011) 0.011 5.307 ( -0.000 0.000 -0.164) 0.164 5.743 ( 0.000 0.000 0.159) 0.159 6.076 ( -0.000 -0.000 -0.188) 0.188 6.286 ( 0.000 0.000 0.061) 0.061 6.470 ( -0.000 -0.000 -0.094) 0.094 6.527 ( 0.000 0.000 0.644) 0.644 7.205 ( 0.000 -0.000 0.126) 0.126 7.448 ( -0.000 0.000 -1.589) 1.589 7.586 ( -0.000 0.000 -0.849) 0.849 ======================= Grid point 577 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 0.000 0.130) 0.130 1.298 ( -0.000 -0.000 -3.601) 3.601 1.364 ( 0.000 0.000 4.804) 4.804 1.366 ( -0.000 -0.000 -0.175) 0.175 1.508 ( -0.000 -0.000 -4.191) 4.191 1.523 ( 0.000 0.000 2.017) 2.017 1.665 ( -0.000 0.000 -4.200) 4.200 1.688 ( -0.000 0.000 -0.100) 0.100 1.741 ( -0.000 -0.000 -1.521) 1.521 2.246 ( -0.000 0.000 -1.040) 1.040 2.419 ( -0.000 0.000 -1.012) 1.012 2.603 ( -0.000 -0.000 -0.424) 0.424 2.749 ( 0.000 0.000 0.428) 0.428 2.756 ( 0.000 -0.000 0.038) 0.038 3.537 ( -0.000 0.000 -0.050) 0.050 4.573 ( 0.000 0.000 0.104) 0.104 4.987 ( 0.000 -0.000 0.320) 0.320 5.279 ( -0.000 -0.000 -0.012) 0.012 5.304 ( -0.000 0.000 -0.194) 0.194 5.745 ( 0.000 0.000 0.155) 0.155 6.073 ( -0.000 -0.000 -0.185) 0.185 6.287 ( 0.000 0.000 0.061) 0.061 6.469 ( -0.000 -0.000 -0.094) 0.094 6.537 ( 0.000 0.000 0.633) 0.633 7.207 ( 0.000 -0.000 0.126) 0.126 7.425 ( -0.000 0.000 -1.601) 1.601 7.573 ( -0.000 0.000 -0.846) 0.846 ======================= Grid point 590 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.000 0.000 0.080) 0.080 1.254 ( -0.000 -0.000 -2.320) 2.320 1.364 ( -0.000 -0.000 -0.126) 0.126 1.435 ( 0.000 0.000 4.892) 4.892 1.458 ( -0.000 0.000 -2.316) 2.316 1.550 ( 0.000 -0.000 1.555) 1.555 1.599 ( -0.000 0.000 -4.968) 4.968 1.687 ( -0.000 0.000 -0.047) 0.047 1.721 ( -0.000 0.000 -1.198) 1.198 2.234 ( -0.000 0.000 -0.671) 0.671 2.407 ( -0.000 0.000 -0.626) 0.626 2.599 ( -0.000 -0.000 -0.216) 0.216 2.754 ( 0.000 0.000 0.263) 0.263 2.756 ( 0.000 -0.000 0.023) 0.023 3.537 ( -0.000 0.000 -0.012) 0.012 4.574 ( 0.000 0.000 0.064) 0.064 4.991 ( 0.000 -0.000 0.206) 0.206 5.279 ( -0.000 -0.000 -0.007) 0.007 5.302 ( -0.000 0.000 -0.135) 0.135 5.747 ( 0.000 0.000 0.093) 0.093 6.071 ( -0.000 0.000 -0.114) 0.114 6.288 ( 0.000 0.000 0.037) 0.037 6.467 ( -0.000 -0.000 -0.058) 0.058 6.544 ( 0.000 0.000 0.386) 0.386 7.208 ( 0.000 0.000 0.078) 0.078 7.405 ( -0.000 0.000 -0.995) 0.995 7.563 ( -0.000 0.000 -0.521) 0.521 ======================= Grid point 592 (171/171) ======================= q-point: (-1.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.09e-04 3.09e-04 3.09e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.000 0.000 0.000) 0.000 1.237 ( -0.000 0.000 0.000) 0.000 1.363 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.495 ( -0.000 0.000 0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.687 ( 0.000 0.000 0.000) 0.000 1.711 ( -0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.403 ( -0.000 0.000 0.000) 0.000 2.597 ( -0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 3.536 ( 0.000 0.000 0.000) 0.000 4.574 ( -0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.279 ( -0.000 0.000 0.000) 0.000 5.301 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 6.070 ( -0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.547 ( -0.000 0.000 0.000) 0.000 7.209 ( -0.000 0.000 0.000) 0.000 7.398 ( -0.000 0.000 0.000) 0.000 7.559 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/27000 10.0 43.313 42.137 19.547 0.000 0.000 -0.000 3/27000 20.0 15.120 14.764 3.681 0.000 0.000 -0.000 3/27000 30.0 9.881 9.624 2.007 0.000 0.000 -0.000 3/27000 40.0 7.713 7.445 1.413 0.000 0.000 -0.000 3/27000 50.0 6.452 6.167 1.099 0.000 0.000 -0.000 3/27000 60.0 5.587 5.296 0.901 0.000 0.000 -0.000 3/27000 70.0 4.942 4.653 0.765 0.000 0.000 -0.000 3/27000 80.0 4.437 4.155 0.665 0.000 0.000 -0.000 3/27000 90.0 4.029 3.756 0.589 0.000 0.000 -0.000 3/27000 100.0 3.690 3.428 0.529 0.000 0.000 -0.000 3/27000 110.0 3.404 3.154 0.480 0.000 0.000 -0.000 3/27000 120.0 3.160 2.921 0.439 0.000 0.000 -0.000 3/27000 130.0 2.948 2.719 0.405 0.000 0.000 -0.000 3/27000 140.0 2.763 2.544 0.376 0.000 0.000 -0.000 3/27000 150.0 2.599 2.391 0.351 0.000 0.000 -0.000 3/27000 160.0 2.454 2.254 0.329 0.000 0.000 -0.000 3/27000 170.0 2.324 2.133 0.309 0.000 0.000 -0.000 3/27000 180.0 2.207 2.024 0.292 0.000 0.000 -0.000 3/27000 190.0 2.101 1.925 0.277 0.000 0.000 -0.000 3/27000 200.0 2.005 1.836 0.263 0.000 0.000 -0.000 3/27000 210.0 1.917 1.754 0.250 0.000 0.000 -0.000 3/27000 220.0 1.837 1.680 0.239 0.000 0.000 -0.000 3/27000 230.0 1.763 1.611 0.229 0.000 0.000 -0.000 3/27000 240.0 1.695 1.548 0.219 0.000 0.000 -0.000 3/27000 250.0 1.631 1.490 0.210 0.000 0.000 -0.000 3/27000 260.0 1.573 1.436 0.202 0.000 0.000 -0.000 3/27000 270.0 1.518 1.385 0.195 0.000 0.000 -0.000 3/27000 280.0 1.467 1.338 0.188 0.000 0.000 -0.000 3/27000 290.0 1.419 1.295 0.181 0.000 0.000 -0.000 3/27000 300.0 1.375 1.254 0.175 0.000 0.000 -0.000 3/27000 310.0 1.333 1.215 0.170 0.000 0.000 -0.000 3/27000 320.0 1.293 1.179 0.164 0.000 0.000 -0.000 3/27000 330.0 1.256 1.145 0.159 0.000 0.000 -0.000 3/27000 340.0 1.221 1.112 0.155 0.000 0.000 -0.000 3/27000 350.0 1.188 1.082 0.150 0.000 0.000 -0.000 3/27000 360.0 1.156 1.053 0.146 0.000 0.000 -0.000 3/27000 370.0 1.127 1.026 0.142 0.000 0.000 -0.000 3/27000 380.0 1.098 1.000 0.139 0.000 0.000 -0.000 3/27000 390.0 1.071 0.975 0.135 0.000 0.000 -0.000 3/27000 400.0 1.046 0.952 0.132 0.000 0.000 -0.000 3/27000 410.0 1.021 0.929 0.128 0.000 0.000 -0.000 3/27000 420.0 0.998 0.908 0.125 0.000 0.000 -0.000 3/27000 430.0 0.976 0.888 0.123 0.000 0.000 -0.000 3/27000 440.0 0.954 0.868 0.120 0.000 0.000 -0.000 3/27000 450.0 0.934 0.849 0.117 0.000 0.000 -0.000 3/27000 460.0 0.914 0.832 0.115 0.000 0.000 -0.000 3/27000 470.0 0.896 0.814 0.112 0.000 0.000 -0.000 3/27000 480.0 0.878 0.798 0.110 0.000 0.000 -0.000 3/27000 490.0 0.860 0.782 0.108 0.000 0.000 -0.000 3/27000 500.0 0.844 0.767 0.105 0.000 0.000 -0.000 3/27000 510.0 0.828 0.752 0.103 0.000 0.000 -0.000 3/27000 520.0 0.812 0.738 0.101 0.000 0.000 -0.000 3/27000 530.0 0.797 0.725 0.100 0.000 0.000 -0.000 3/27000 540.0 0.783 0.712 0.098 0.000 0.000 -0.000 3/27000 550.0 0.769 0.699 0.096 0.000 0.000 -0.000 3/27000 560.0 0.756 0.687 0.094 0.000 0.000 -0.000 3/27000 570.0 0.743 0.675 0.093 0.000 0.000 -0.000 3/27000 580.0 0.731 0.664 0.091 0.000 0.000 -0.000 3/27000 590.0 0.719 0.653 0.089 0.000 0.000 -0.000 3/27000 600.0 0.707 0.642 0.088 0.000 0.000 -0.000 3/27000 610.0 0.696 0.632 0.087 0.000 0.000 -0.000 3/27000 620.0 0.685 0.622 0.085 0.000 0.000 -0.000 3/27000 630.0 0.674 0.613 0.084 0.000 0.000 -0.000 3/27000 640.0 0.664 0.603 0.082 0.000 0.000 -0.000 3/27000 650.0 0.654 0.594 0.081 0.000 0.000 -0.000 3/27000 660.0 0.644 0.585 0.080 0.000 0.000 -0.000 3/27000 670.0 0.635 0.577 0.079 0.000 0.000 -0.000 3/27000 680.0 0.626 0.568 0.078 0.000 0.000 -0.000 3/27000 690.0 0.617 0.560 0.077 0.000 0.000 -0.000 3/27000 700.0 0.609 0.553 0.075 0.000 0.000 -0.000 3/27000 710.0 0.600 0.545 0.074 0.000 0.000 -0.000 3/27000 720.0 0.592 0.538 0.073 0.000 0.000 -0.000 3/27000 730.0 0.584 0.530 0.072 0.000 0.000 -0.000 3/27000 740.0 0.576 0.523 0.071 0.000 0.000 -0.000 3/27000 750.0 0.569 0.517 0.070 0.000 0.000 -0.000 3/27000 760.0 0.562 0.510 0.069 0.000 0.000 -0.000 3/27000 770.0 0.554 0.503 0.069 0.000 0.000 -0.000 3/27000 780.0 0.548 0.497 0.068 0.000 0.000 -0.000 3/27000 790.0 0.541 0.491 0.067 0.000 0.000 -0.000 3/27000 800.0 0.534 0.485 0.066 0.000 0.000 -0.000 3/27000 810.0 0.528 0.479 0.065 0.000 0.000 -0.000 3/27000 820.0 0.521 0.473 0.064 0.000 0.000 -0.000 3/27000 830.0 0.515 0.468 0.064 0.000 0.000 -0.000 3/27000 840.0 0.509 0.462 0.063 0.000 0.000 -0.000 3/27000 850.0 0.503 0.457 0.062 0.000 0.000 -0.000 3/27000 860.0 0.498 0.452 0.061 0.000 0.000 -0.000 3/27000 870.0 0.492 0.447 0.061 0.000 0.000 -0.000 3/27000 880.0 0.487 0.442 0.060 0.000 0.000 -0.000 3/27000 890.0 0.481 0.437 0.059 0.000 0.000 -0.000 3/27000 900.0 0.476 0.432 0.059 0.000 0.000 -0.000 3/27000 910.0 0.471 0.427 0.058 0.000 0.000 -0.000 3/27000 920.0 0.466 0.423 0.057 0.000 0.000 -0.000 3/27000 930.0 0.461 0.418 0.057 0.000 0.000 -0.000 3/27000 940.0 0.456 0.414 0.056 0.000 0.000 -0.000 3/27000 950.0 0.451 0.410 0.056 0.000 0.000 -0.000 3/27000 960.0 0.447 0.405 0.055 0.000 0.000 -0.000 3/27000 970.0 0.442 0.401 0.054 0.000 0.000 -0.000 3/27000 980.0 0.438 0.397 0.054 0.000 0.000 -0.000 3/27000 990.0 0.433 0.393 0.053 0.000 0.000 -0.000 3/27000 1000.0 0.429 0.389 0.053 0.000 0.000 -0.000 3/27000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:57:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|