----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:56:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 5.262700510000000 6.580494169999999 b 3.106067410000000 0.000000000000000 6.580494169999999 c 3.106067410000000 5.262700510000000 0.000000000000000 Atomic positions (fractional): *1 S 0.78364826461081 0.44734390682648 0.55265609317352 32.065 2 S 0.55265609317352 0.21635173538919 0.78364826461081 32.065 3 S 0.44734390682648 0.78364826461081 0.21635173538919 32.065 4 S 0.21635173538919 0.55265609317352 0.44734390682648 32.065 *5 Rb 0.15728161645297 0.15728161645297 0.84271838354703 85.468 6 Rb 0.84271838354703 0.84271838354703 0.15728161645297 85.468 *7 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 *8 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 9 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.212134819999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.525401020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.160988339999998 Atomic positions (fractional): *1 S 0.50000000000000 0.16815217889216 0.11549608571865 32.065 > 1 2 S 0.00000000000000 0.16815217889216 0.38450391428135 32.065 > 2 3 S 0.50000000000000 0.83184782110783 0.11549608571865 32.065 > 3 4 S 0.00000000000000 0.83184782110783 0.38450391428135 32.065 > 4 5 S 0.50000000000000 0.66815217889217 0.61549608571865 32.065 > 1 6 S 0.00000000000000 0.66815217889217 0.88450391428135 32.065 > 2 7 S 0.50000000000000 0.33184782110784 0.61549608571865 32.065 > 3 8 S 0.00000000000000 0.33184782110784 0.88450391428135 32.065 > 4 9 S 0.00000000000000 0.16815217889216 0.61549608571865 32.065 > 1 10 S 0.50000000000000 0.16815217889216 0.88450391428135 32.065 > 2 11 S 0.00000000000000 0.83184782110783 0.61549608571865 32.065 > 3 12 S 0.50000000000000 0.83184782110783 0.88450391428135 32.065 > 4 13 S 0.00000000000000 0.66815217889217 0.11549608571865 32.065 > 1 14 S 0.50000000000000 0.66815217889217 0.38450391428135 32.065 > 2 15 S 0.00000000000000 0.33184782110784 0.11549608571865 32.065 > 3 16 S 0.50000000000000 0.33184782110784 0.38450391428135 32.065 > 4 *17 Rb 0.00000000000000 0.00000000000000 0.15728161645297 85.468 > 5 18 Rb 0.50000000000000 0.00000000000000 0.34271838354703 85.468 > 6 19 Rb 0.00000000000000 0.50000000000000 0.65728161645297 85.468 > 5 20 Rb 0.50000000000000 0.50000000000000 0.84271838354703 85.468 > 6 21 Rb 0.50000000000000 0.00000000000000 0.65728161645297 85.468 > 5 22 Rb 0.00000000000000 0.00000000000000 0.84271838354703 85.468 > 6 23 Rb 0.50000000000000 0.50000000000000 0.15728161645297 85.468 > 5 24 Rb 0.00000000000000 0.50000000000000 0.34271838354703 85.468 > 6 *25 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 7 *26 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 8 27 Pd 0.75000000000000 0.25000000000000 0.00000000000000 106.420 > 9 28 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 7 29 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 8 30 Pd 0.75000000000000 0.75000000000000 0.50000000000000 106.420 > 9 31 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 7 32 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 8 33 Pd 0.25000000000000 0.25000000000000 0.50000000000000 106.420 > 9 34 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 7 35 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 8 36 Pd 0.25000000000000 0.75000000000000 0.00000000000000 106.420 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.424269639999999 0.000000000000000 0.000000000000000 b 0.000000000000000 21.050802040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.160988339999998 Atomic positions (fractional): *1 S 0.25000000000000 0.08407608944608 0.11549608571865 32.065 > 1 2 S 0.75000000000000 0.08407608944608 0.11549608571865 32.065 > 1 3 S 0.25000000000000 0.58407608944608 0.11549608571865 32.065 > 1 4 S 0.75000000000000 0.58407608944608 0.11549608571865 32.065 > 1 5 S 0.00000000000000 0.08407608944608 0.38450391428135 32.065 > 2 6 S 0.50000000000000 0.08407608944608 0.38450391428135 32.065 > 2 7 S 0.00000000000000 0.58407608944608 0.38450391428135 32.065 > 2 8 S 0.50000000000000 0.58407608944608 0.38450391428135 32.065 > 2 9 S 0.25000000000000 0.41592391055392 0.11549608571865 32.065 > 3 10 S 0.75000000000000 0.41592391055392 0.11549608571865 32.065 > 3 11 S 0.25000000000000 0.91592391055392 0.11549608571865 32.065 > 3 12 S 0.75000000000000 0.91592391055392 0.11549608571865 32.065 > 3 13 S 0.00000000000000 0.41592391055392 0.38450391428135 32.065 > 4 14 S 0.50000000000000 0.41592391055392 0.38450391428135 32.065 > 4 15 S 0.00000000000000 0.91592391055392 0.38450391428135 32.065 > 4 16 S 0.50000000000000 0.91592391055392 0.38450391428135 32.065 > 4 17 S 0.25000000000000 0.33407608944608 0.61549608571865 32.065 > 1 18 S 0.75000000000000 0.33407608944608 0.61549608571865 32.065 > 1 19 S 0.25000000000000 0.83407608944608 0.61549608571865 32.065 > 1 20 S 0.75000000000000 0.83407608944608 0.61549608571865 32.065 > 1 21 S 0.00000000000000 0.33407608944608 0.88450391428135 32.065 > 2 22 S 0.50000000000000 0.33407608944608 0.88450391428135 32.065 > 2 23 S 0.00000000000000 0.83407608944608 0.88450391428135 32.065 > 2 24 S 0.50000000000000 0.83407608944608 0.88450391428135 32.065 > 2 25 S 0.25000000000000 0.16592391055392 0.61549608571865 32.065 > 3 26 S 0.75000000000000 0.16592391055392 0.61549608571865 32.065 > 3 27 S 0.25000000000000 0.66592391055392 0.61549608571865 32.065 > 3 28 S 0.75000000000000 0.66592391055392 0.61549608571865 32.065 > 3 29 S 0.00000000000000 0.16592391055392 0.88450391428135 32.065 > 4 30 S 0.50000000000000 0.16592391055392 0.88450391428135 32.065 > 4 31 S 0.00000000000000 0.66592391055392 0.88450391428135 32.065 > 4 32 S 0.50000000000000 0.66592391055392 0.88450391428135 32.065 > 4 33 S 0.00000000000000 0.08407608944608 0.61549608571865 32.065 > 1 34 S 0.50000000000000 0.08407608944608 0.61549608571865 32.065 > 1 35 S 0.00000000000000 0.58407608944608 0.61549608571865 32.065 > 1 36 S 0.50000000000000 0.58407608944608 0.61549608571865 32.065 > 1 37 S 0.25000000000000 0.08407608944608 0.88450391428135 32.065 > 2 38 S 0.75000000000000 0.08407608944608 0.88450391428135 32.065 > 2 39 S 0.25000000000000 0.58407608944608 0.88450391428135 32.065 > 2 40 S 0.75000000000000 0.58407608944608 0.88450391428135 32.065 > 2 41 S 0.00000000000000 0.41592391055392 0.61549608571865 32.065 > 3 42 S 0.50000000000000 0.41592391055392 0.61549608571865 32.065 > 3 43 S 0.00000000000000 0.91592391055392 0.61549608571865 32.065 > 3 44 S 0.50000000000000 0.91592391055392 0.61549608571865 32.065 > 3 45 S 0.25000000000000 0.41592391055392 0.88450391428135 32.065 > 4 46 S 0.75000000000000 0.41592391055392 0.88450391428135 32.065 > 4 47 S 0.25000000000000 0.91592391055392 0.88450391428135 32.065 > 4 48 S 0.75000000000000 0.91592391055392 0.88450391428135 32.065 > 4 49 S 0.00000000000000 0.33407608944608 0.11549608571865 32.065 > 1 50 S 0.50000000000000 0.33407608944608 0.11549608571865 32.065 > 1 51 S 0.00000000000000 0.83407608944608 0.11549608571865 32.065 > 1 52 S 0.50000000000000 0.83407608944608 0.11549608571865 32.065 > 1 53 S 0.25000000000000 0.33407608944608 0.38450391428135 32.065 > 2 54 S 0.75000000000000 0.33407608944608 0.38450391428135 32.065 > 2 55 S 0.25000000000000 0.83407608944608 0.38450391428135 32.065 > 2 56 S 0.75000000000000 0.83407608944608 0.38450391428135 32.065 > 2 57 S 0.00000000000000 0.16592391055392 0.11549608571865 32.065 > 3 58 S 0.50000000000000 0.16592391055392 0.11549608571865 32.065 > 3 59 S 0.00000000000000 0.66592391055392 0.11549608571865 32.065 > 3 60 S 0.50000000000000 0.66592391055392 0.11549608571865 32.065 > 3 61 S 0.25000000000000 0.16592391055392 0.38450391428135 32.065 > 4 62 S 0.75000000000000 0.16592391055392 0.38450391428135 32.065 > 4 63 S 0.25000000000000 0.66592391055392 0.38450391428135 32.065 > 4 64 S 0.75000000000000 0.66592391055392 0.38450391428135 32.065 > 4 *65 Rb 0.00000000000000 0.00000000000000 0.15728161645297 85.468 > 5 66 Rb 0.50000000000000 0.00000000000000 0.15728161645297 85.468 > 5 67 Rb 0.00000000000000 0.50000000000000 0.15728161645297 85.468 > 5 68 Rb 0.50000000000000 0.50000000000000 0.15728161645297 85.468 > 5 69 Rb 0.25000000000000 0.00000000000000 0.34271838354703 85.468 > 6 70 Rb 0.75000000000000 0.00000000000000 0.34271838354703 85.468 > 6 71 Rb 0.25000000000000 0.50000000000000 0.34271838354703 85.468 > 6 72 Rb 0.75000000000000 0.50000000000000 0.34271838354703 85.468 > 6 73 Rb 0.00000000000000 0.25000000000000 0.65728161645297 85.468 > 5 74 Rb 0.50000000000000 0.25000000000000 0.65728161645297 85.468 > 5 75 Rb 0.00000000000000 0.75000000000000 0.65728161645297 85.468 > 5 76 Rb 0.50000000000000 0.75000000000000 0.65728161645297 85.468 > 5 77 Rb 0.25000000000000 0.25000000000000 0.84271838354703 85.468 > 6 78 Rb 0.75000000000000 0.25000000000000 0.84271838354703 85.468 > 6 79 Rb 0.25000000000000 0.75000000000000 0.84271838354703 85.468 > 6 80 Rb 0.75000000000000 0.75000000000000 0.84271838354703 85.468 > 6 81 Rb 0.25000000000000 0.00000000000000 0.65728161645297 85.468 > 5 82 Rb 0.75000000000000 0.00000000000000 0.65728161645297 85.468 > 5 83 Rb 0.25000000000000 0.50000000000000 0.65728161645297 85.468 > 5 84 Rb 0.75000000000000 0.50000000000000 0.65728161645297 85.468 > 5 85 Rb 0.00000000000000 0.00000000000000 0.84271838354703 85.468 > 6 86 Rb 0.50000000000000 0.00000000000000 0.84271838354703 85.468 > 6 87 Rb 0.00000000000000 0.50000000000000 0.84271838354703 85.468 > 6 88 Rb 0.50000000000000 0.50000000000000 0.84271838354703 85.468 > 6 89 Rb 0.25000000000000 0.25000000000000 0.15728161645297 85.468 > 5 90 Rb 0.75000000000000 0.25000000000000 0.15728161645297 85.468 > 5 91 Rb 0.25000000000000 0.75000000000000 0.15728161645297 85.468 > 5 92 Rb 0.75000000000000 0.75000000000000 0.15728161645297 85.468 > 5 93 Rb 0.00000000000000 0.25000000000000 0.34271838354703 85.468 > 6 94 Rb 0.50000000000000 0.25000000000000 0.34271838354703 85.468 > 6 95 Rb 0.00000000000000 0.75000000000000 0.34271838354703 85.468 > 6 96 Rb 0.50000000000000 0.75000000000000 0.34271838354703 85.468 > 6 *97 Pd 0.37500000000000 0.37500000000000 0.00000000000000 106.420 > 7 98 Pd 0.87500000000000 0.37500000000000 0.00000000000000 106.420 > 7 99 Pd 0.37500000000000 0.87500000000000 0.00000000000000 106.420 > 7 100 Pd 0.87500000000000 0.87500000000000 0.00000000000000 106.420 > 7 *101 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 8 102 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 8 103 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 8 104 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 8 105 Pd 0.37500000000000 0.12500000000000 0.00000000000000 106.420 > 9 106 Pd 0.87500000000000 0.12500000000000 0.00000000000000 106.420 > 9 107 Pd 0.37500000000000 0.62500000000000 0.00000000000000 106.420 > 9 108 Pd 0.87500000000000 0.62500000000000 0.00000000000000 106.420 > 9 109 Pd 0.37500000000000 0.12500000000000 0.50000000000000 106.420 > 7 110 Pd 0.87500000000000 0.12500000000000 0.50000000000000 106.420 > 7 111 Pd 0.37500000000000 0.62500000000000 0.50000000000000 106.420 > 7 112 Pd 0.87500000000000 0.62500000000000 0.50000000000000 106.420 > 7 113 Pd 0.25000000000000 0.25000000000000 0.50000000000000 106.420 > 8 114 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 8 115 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 8 116 Pd 0.75000000000000 0.75000000000000 0.50000000000000 106.420 > 8 117 Pd 0.37500000000000 0.37500000000000 0.50000000000000 106.420 > 9 118 Pd 0.87500000000000 0.37500000000000 0.50000000000000 106.420 > 9 119 Pd 0.37500000000000 0.87500000000000 0.50000000000000 106.420 > 9 120 Pd 0.87500000000000 0.87500000000000 0.50000000000000 106.420 > 9 121 Pd 0.12500000000000 0.37500000000000 0.50000000000000 106.420 > 7 122 Pd 0.62500000000000 0.37500000000000 0.50000000000000 106.420 > 7 123 Pd 0.12500000000000 0.87500000000000 0.50000000000000 106.420 > 7 124 Pd 0.62500000000000 0.87500000000000 0.50000000000000 106.420 > 7 125 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 8 126 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 8 127 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 8 128 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 8 129 Pd 0.12500000000000 0.12500000000000 0.50000000000000 106.420 > 9 130 Pd 0.62500000000000 0.12500000000000 0.50000000000000 106.420 > 9 131 Pd 0.12500000000000 0.62500000000000 0.50000000000000 106.420 > 9 132 Pd 0.62500000000000 0.62500000000000 0.50000000000000 106.420 > 9 133 Pd 0.12500000000000 0.12500000000000 0.00000000000000 106.420 > 7 134 Pd 0.62500000000000 0.12500000000000 0.00000000000000 106.420 > 7 135 Pd 0.12500000000000 0.62500000000000 0.00000000000000 106.420 > 7 136 Pd 0.62500000000000 0.62500000000000 0.00000000000000 106.420 > 7 137 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 8 138 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 8 139 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 8 140 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 8 141 Pd 0.12500000000000 0.37500000000000 0.00000000000000 106.420 > 9 142 Pd 0.62500000000000 0.37500000000000 0.00000000000000 106.420 > 9 143 Pd 0.12500000000000 0.87500000000000 0.00000000000000 106.420 > 9 144 Pd 0.62500000000000 0.87500000000000 0.00000000000000 106.420 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4604726 0.0000000 0.0000000 0.0000000 7.5835594 0.0000000 0.0000000 0.0000000 4.9982415 -------------------------- Born effective charges -------------------------- 1 S -0.9086620 0.0000000 0.0000000 0.0000000 -0.9757439 0.1302014 0.0000000 0.0257096 -1.0352072 2 S -0.9086620 0.0000000 0.0000000 0.0000000 -0.9757439 -0.1302014 0.0000000 -0.0257096 -1.0352072 3 S -0.9086620 0.0000000 0.0000000 0.0000000 -0.9757439 -0.1302014 0.0000000 -0.0257096 -1.0352072 4 S -0.9086620 0.0000000 0.0000000 0.0000000 -0.9757439 0.1302014 0.0000000 0.0257096 -1.0352072 5 Rb 1.3680667 0.0000000 0.0000000 0.0000000 1.5724649 0.0000000 0.0000000 0.0000000 1.3660450 6 Rb 1.3680667 0.0000000 0.0000000 0.0000000 1.5724649 0.0000000 0.0000000 0.0000000 1.3660450 7 Pd 0.6477297 -0.6865082 0.0000000 -0.7076970 -0.1093598 0.0000000 0.0000000 0.0000000 0.4858474 8 Pd -0.3969447 0.0000000 0.0000000 0.0000000 0.9767654 0.0000000 0.0000000 0.0000000 0.4370439 9 Pd 0.6477297 0.6865082 0.0000000 0.7076970 -0.1093598 0.0000000 0.0000000 0.0000000 0.4858474 ---------------------------------------------------------------------------- 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): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 129 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 100 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (100, 100), data: True |-- (129, 127), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 160 - Time: 1.111 Solver_block: 160 / 160 - Time: 0.696 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.829 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 129 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 100 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (100, 100), data: True |-- (129, 127), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:56:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:56:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.262700510000000 6.580494169999999 b 3.106067410000000 0.000000000000000 6.580494169999999 c 3.106067410000000 5.262700510000000 0.000000000000000 Atomic positions (fractional): 1 S 0.78364826461081 0.44734390682648 0.55265609317352 32.065 2 S 0.55265609317352 0.21635173538919 0.78364826461081 32.065 3 S 0.44734390682648 0.78364826461081 0.21635173538919 32.065 4 S 0.21635173538919 0.55265609317352 0.44734390682648 32.065 5 Rb 0.15728161645297 0.15728161645297 0.84271838354703 85.468 6 Rb 0.84271838354703 0.84271838354703 0.15728161645297 85.468 7 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 8 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 9 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.424269639999999 0.000000000000000 0.000000000000000 b 0.000000000000000 21.050802040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.160988339999998 Atomic positions (fractional): 1 S 0.25000000000000 0.08407608944608 0.11549608571865 32.065 > 1 2 S 0.75000000000000 0.08407608944608 0.11549608571865 32.065 > 1 3 S 0.25000000000000 0.58407608944608 0.11549608571865 32.065 > 1 4 S 0.75000000000000 0.58407608944608 0.11549608571865 32.065 > 1 5 S 0.00000000000000 0.08407608944608 0.38450391428135 32.065 > 5 6 S 0.50000000000000 0.08407608944608 0.38450391428135 32.065 > 5 7 S 0.00000000000000 0.58407608944608 0.38450391428135 32.065 > 5 8 S 0.50000000000000 0.58407608944608 0.38450391428135 32.065 > 5 9 S 0.25000000000000 0.41592391055392 0.11549608571865 32.065 > 9 10 S 0.75000000000000 0.41592391055392 0.11549608571865 32.065 > 9 11 S 0.25000000000000 0.91592391055392 0.11549608571865 32.065 > 9 12 S 0.75000000000000 0.91592391055392 0.11549608571865 32.065 > 9 13 S 0.00000000000000 0.41592391055392 0.38450391428135 32.065 > 13 14 S 0.50000000000000 0.41592391055392 0.38450391428135 32.065 > 13 15 S 0.00000000000000 0.91592391055392 0.38450391428135 32.065 > 13 16 S 0.50000000000000 0.91592391055392 0.38450391428135 32.065 > 13 17 S 0.25000000000000 0.33407608944608 0.61549608571865 32.065 > 1 18 S 0.75000000000000 0.33407608944608 0.61549608571865 32.065 > 1 19 S 0.25000000000000 0.83407608944608 0.61549608571865 32.065 > 1 20 S 0.75000000000000 0.83407608944608 0.61549608571865 32.065 > 1 21 S 0.00000000000000 0.33407608944608 0.88450391428135 32.065 > 5 22 S 0.50000000000000 0.33407608944608 0.88450391428135 32.065 > 5 23 S 0.00000000000000 0.83407608944608 0.88450391428135 32.065 > 5 24 S 0.50000000000000 0.83407608944608 0.88450391428135 32.065 > 5 25 S 0.25000000000000 0.16592391055392 0.61549608571865 32.065 > 9 26 S 0.75000000000000 0.16592391055392 0.61549608571865 32.065 > 9 27 S 0.25000000000000 0.66592391055392 0.61549608571865 32.065 > 9 28 S 0.75000000000000 0.66592391055392 0.61549608571865 32.065 > 9 29 S 0.00000000000000 0.16592391055392 0.88450391428135 32.065 > 13 30 S 0.50000000000000 0.16592391055392 0.88450391428135 32.065 > 13 31 S 0.00000000000000 0.66592391055392 0.88450391428135 32.065 > 13 32 S 0.50000000000000 0.66592391055392 0.88450391428135 32.065 > 13 33 S 0.00000000000000 0.08407608944608 0.61549608571865 32.065 > 1 34 S 0.50000000000000 0.08407608944608 0.61549608571865 32.065 > 1 35 S 0.00000000000000 0.58407608944608 0.61549608571865 32.065 > 1 36 S 0.50000000000000 0.58407608944608 0.61549608571865 32.065 > 1 37 S 0.25000000000000 0.08407608944608 0.88450391428135 32.065 > 5 38 S 0.75000000000000 0.08407608944608 0.88450391428135 32.065 > 5 39 S 0.25000000000000 0.58407608944608 0.88450391428135 32.065 > 5 40 S 0.75000000000000 0.58407608944608 0.88450391428135 32.065 > 5 41 S 0.00000000000000 0.41592391055392 0.61549608571865 32.065 > 9 42 S 0.50000000000000 0.41592391055392 0.61549608571865 32.065 > 9 43 S 0.00000000000000 0.91592391055392 0.61549608571865 32.065 > 9 44 S 0.50000000000000 0.91592391055392 0.61549608571865 32.065 > 9 45 S 0.25000000000000 0.41592391055392 0.88450391428135 32.065 > 13 46 S 0.75000000000000 0.41592391055392 0.88450391428135 32.065 > 13 47 S 0.25000000000000 0.91592391055392 0.88450391428135 32.065 > 13 48 S 0.75000000000000 0.91592391055392 0.88450391428135 32.065 > 13 49 S 0.00000000000000 0.33407608944608 0.11549608571865 32.065 > 1 50 S 0.50000000000000 0.33407608944608 0.11549608571865 32.065 > 1 51 S 0.00000000000000 0.83407608944608 0.11549608571865 32.065 > 1 52 S 0.50000000000000 0.83407608944608 0.11549608571865 32.065 > 1 53 S 0.25000000000000 0.33407608944608 0.38450391428135 32.065 > 5 54 S 0.75000000000000 0.33407608944608 0.38450391428135 32.065 > 5 55 S 0.25000000000000 0.83407608944608 0.38450391428135 32.065 > 5 56 S 0.75000000000000 0.83407608944608 0.38450391428135 32.065 > 5 57 S 0.00000000000000 0.16592391055392 0.11549608571865 32.065 > 9 58 S 0.50000000000000 0.16592391055392 0.11549608571865 32.065 > 9 59 S 0.00000000000000 0.66592391055392 0.11549608571865 32.065 > 9 60 S 0.50000000000000 0.66592391055392 0.11549608571865 32.065 > 9 61 S 0.25000000000000 0.16592391055392 0.38450391428135 32.065 > 13 62 S 0.75000000000000 0.16592391055392 0.38450391428135 32.065 > 13 63 S 0.25000000000000 0.66592391055392 0.38450391428135 32.065 > 13 64 S 0.75000000000000 0.66592391055392 0.38450391428135 32.065 > 13 65 Rb 0.00000000000000 0.00000000000000 0.15728161645297 85.468 > 65 66 Rb 0.50000000000000 0.00000000000000 0.15728161645297 85.468 > 65 67 Rb 0.00000000000000 0.50000000000000 0.15728161645297 85.468 > 65 68 Rb 0.50000000000000 0.50000000000000 0.15728161645297 85.468 > 65 69 Rb 0.25000000000000 0.00000000000000 0.34271838354703 85.468 > 69 70 Rb 0.75000000000000 0.00000000000000 0.34271838354703 85.468 > 69 71 Rb 0.25000000000000 0.50000000000000 0.34271838354703 85.468 > 69 72 Rb 0.75000000000000 0.50000000000000 0.34271838354703 85.468 > 69 73 Rb 0.00000000000000 0.25000000000000 0.65728161645297 85.468 > 65 74 Rb 0.50000000000000 0.25000000000000 0.65728161645297 85.468 > 65 75 Rb 0.00000000000000 0.75000000000000 0.65728161645297 85.468 > 65 76 Rb 0.50000000000000 0.75000000000000 0.65728161645297 85.468 > 65 77 Rb 0.25000000000000 0.25000000000000 0.84271838354703 85.468 > 69 78 Rb 0.75000000000000 0.25000000000000 0.84271838354703 85.468 > 69 79 Rb 0.25000000000000 0.75000000000000 0.84271838354703 85.468 > 69 80 Rb 0.75000000000000 0.75000000000000 0.84271838354703 85.468 > 69 81 Rb 0.25000000000000 0.00000000000000 0.65728161645297 85.468 > 65 82 Rb 0.75000000000000 0.00000000000000 0.65728161645297 85.468 > 65 83 Rb 0.25000000000000 0.50000000000000 0.65728161645297 85.468 > 65 84 Rb 0.75000000000000 0.50000000000000 0.65728161645297 85.468 > 65 85 Rb 0.00000000000000 0.00000000000000 0.84271838354703 85.468 > 69 86 Rb 0.50000000000000 0.00000000000000 0.84271838354703 85.468 > 69 87 Rb 0.00000000000000 0.50000000000000 0.84271838354703 85.468 > 69 88 Rb 0.50000000000000 0.50000000000000 0.84271838354703 85.468 > 69 89 Rb 0.25000000000000 0.25000000000000 0.15728161645297 85.468 > 65 90 Rb 0.75000000000000 0.25000000000000 0.15728161645297 85.468 > 65 91 Rb 0.25000000000000 0.75000000000000 0.15728161645297 85.468 > 65 92 Rb 0.75000000000000 0.75000000000000 0.15728161645297 85.468 > 65 93 Rb 0.00000000000000 0.25000000000000 0.34271838354703 85.468 > 69 94 Rb 0.50000000000000 0.25000000000000 0.34271838354703 85.468 > 69 95 Rb 0.00000000000000 0.75000000000000 0.34271838354703 85.468 > 69 96 Rb 0.50000000000000 0.75000000000000 0.34271838354703 85.468 > 69 97 Pd 0.37500000000000 0.37500000000000 0.00000000000000 106.420 > 97 98 Pd 0.87500000000000 0.37500000000000 0.00000000000000 106.420 > 97 99 Pd 0.37500000000000 0.87500000000000 0.00000000000000 106.420 > 97 100 Pd 0.87500000000000 0.87500000000000 0.00000000000000 106.420 > 97 101 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 101 102 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 101 103 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 101 104 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 101 105 Pd 0.37500000000000 0.12500000000000 0.00000000000000 106.420 > 105 106 Pd 0.87500000000000 0.12500000000000 0.00000000000000 106.420 > 105 107 Pd 0.37500000000000 0.62500000000000 0.00000000000000 106.420 > 105 108 Pd 0.87500000000000 0.62500000000000 0.00000000000000 106.420 > 105 109 Pd 0.37500000000000 0.12500000000000 0.50000000000000 106.420 > 97 110 Pd 0.87500000000000 0.12500000000000 0.50000000000000 106.420 > 97 111 Pd 0.37500000000000 0.62500000000000 0.50000000000000 106.420 > 97 112 Pd 0.87500000000000 0.62500000000000 0.50000000000000 106.420 > 97 113 Pd 0.25000000000000 0.25000000000000 0.50000000000000 106.420 > 101 114 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 101 115 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 101 116 Pd 0.75000000000000 0.75000000000000 0.50000000000000 106.420 > 101 117 Pd 0.37500000000000 0.37500000000000 0.50000000000000 106.420 > 105 118 Pd 0.87500000000000 0.37500000000000 0.50000000000000 106.420 > 105 119 Pd 0.37500000000000 0.87500000000000 0.50000000000000 106.420 > 105 120 Pd 0.87500000000000 0.87500000000000 0.50000000000000 106.420 > 105 121 Pd 0.12500000000000 0.37500000000000 0.50000000000000 106.420 > 97 122 Pd 0.62500000000000 0.37500000000000 0.50000000000000 106.420 > 97 123 Pd 0.12500000000000 0.87500000000000 0.50000000000000 106.420 > 97 124 Pd 0.62500000000000 0.87500000000000 0.50000000000000 106.420 > 97 125 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 101 126 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 101 127 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 101 128 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 101 129 Pd 0.12500000000000 0.12500000000000 0.50000000000000 106.420 > 105 130 Pd 0.62500000000000 0.12500000000000 0.50000000000000 106.420 > 105 131 Pd 0.12500000000000 0.62500000000000 0.50000000000000 106.420 > 105 132 Pd 0.62500000000000 0.62500000000000 0.50000000000000 106.420 > 105 133 Pd 0.12500000000000 0.12500000000000 0.00000000000000 106.420 > 97 134 Pd 0.62500000000000 0.12500000000000 0.00000000000000 106.420 > 97 135 Pd 0.12500000000000 0.62500000000000 0.00000000000000 106.420 > 97 136 Pd 0.62500000000000 0.62500000000000 0.00000000000000 106.420 > 97 137 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 101 138 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 101 139 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 101 140 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 101 141 Pd 0.12500000000000 0.37500000000000 0.00000000000000 106.420 > 105 142 Pd 0.62500000000000 0.37500000000000 0.00000000000000 106.420 > 105 143 Pd 0.12500000000000 0.87500000000000 0.00000000000000 106.420 > 105 144 Pd 0.62500000000000 0.87500000000000 0.00000000000000 106.420 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4604726 0.0000000 0.0000000 0.0000000 7.5835594 0.0000000 0.0000000 0.0000000 4.9982415 -------------------------- Born effective charges -------------------------- 1 S -0.9086620 0.0000000 0.0000000 0.0000000 -0.9757439 0.1302014 0.0000000 0.0257096 -1.0352072 2 S -0.9086620 0.0000000 0.0000000 0.0000000 -0.9757439 -0.1302014 0.0000000 -0.0257096 -1.0352072 3 S -0.9086620 0.0000000 0.0000000 0.0000000 -0.9757439 -0.1302014 0.0000000 -0.0257096 -1.0352072 4 S -0.9086620 0.0000000 0.0000000 0.0000000 -0.9757439 0.1302014 0.0000000 0.0257096 -1.0352072 5 Rb 1.3680667 0.0000000 0.0000000 0.0000000 1.5724649 0.0000000 0.0000000 0.0000000 1.3660450 6 Rb 1.3680667 0.0000000 0.0000000 0.0000000 1.5724649 0.0000000 0.0000000 0.0000000 1.3660450 7 Pd 0.6477297 -0.6865082 0.0000000 -0.7076970 -0.1093598 0.0000000 0.0000000 0.0000000 0.4858474 8 Pd -0.3969447 0.0000000 0.0000000 0.0000000 0.9767654 0.0000000 0.0000000 0.0000000 0.4370439 9 Pd 0.6477297 0.6865082 0.0000000 0.7076970 -0.1093598 0.0000000 0.0000000 0.0000000 0.4858474 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, 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 23:56:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:56:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.262700510000000 6.580494169999999 b 3.106067410000000 0.000000000000000 6.580494169999999 c 3.106067410000000 5.262700510000000 0.000000000000000 Atomic positions (fractional): 1 S 0.78364826461081 0.44734390682648 0.55265609317352 32.065 2 S 0.55265609317352 0.21635173538919 0.78364826461081 32.065 3 S 0.44734390682648 0.78364826461081 0.21635173538919 32.065 4 S 0.21635173538919 0.55265609317352 0.44734390682648 32.065 5 Rb 0.15728161645297 0.15728161645297 0.84271838354703 85.468 6 Rb 0.84271838354703 0.84271838354703 0.15728161645297 85.468 7 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 8 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 9 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.424269639999999 0.000000000000000 0.000000000000000 b 0.000000000000000 21.050802040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.160988339999998 Atomic positions (fractional): 1 S 0.25000000000000 0.08407608944608 0.11549608571865 32.065 > 1 2 S 0.75000000000000 0.08407608944608 0.11549608571865 32.065 > 1 3 S 0.25000000000000 0.58407608944608 0.11549608571865 32.065 > 1 4 S 0.75000000000000 0.58407608944608 0.11549608571865 32.065 > 1 5 S 0.00000000000000 0.08407608944608 0.38450391428135 32.065 > 5 6 S 0.50000000000000 0.08407608944608 0.38450391428135 32.065 > 5 7 S 0.00000000000000 0.58407608944608 0.38450391428135 32.065 > 5 8 S 0.50000000000000 0.58407608944608 0.38450391428135 32.065 > 5 9 S 0.25000000000000 0.41592391055392 0.11549608571865 32.065 > 9 10 S 0.75000000000000 0.41592391055392 0.11549608571865 32.065 > 9 11 S 0.25000000000000 0.91592391055392 0.11549608571865 32.065 > 9 12 S 0.75000000000000 0.91592391055392 0.11549608571865 32.065 > 9 13 S 0.00000000000000 0.41592391055392 0.38450391428135 32.065 > 13 14 S 0.50000000000000 0.41592391055392 0.38450391428135 32.065 > 13 15 S 0.00000000000000 0.91592391055392 0.38450391428135 32.065 > 13 16 S 0.50000000000000 0.91592391055392 0.38450391428135 32.065 > 13 17 S 0.25000000000000 0.33407608944608 0.61549608571865 32.065 > 1 18 S 0.75000000000000 0.33407608944608 0.61549608571865 32.065 > 1 19 S 0.25000000000000 0.83407608944608 0.61549608571865 32.065 > 1 20 S 0.75000000000000 0.83407608944608 0.61549608571865 32.065 > 1 21 S 0.00000000000000 0.33407608944608 0.88450391428135 32.065 > 5 22 S 0.50000000000000 0.33407608944608 0.88450391428135 32.065 > 5 23 S 0.00000000000000 0.83407608944608 0.88450391428135 32.065 > 5 24 S 0.50000000000000 0.83407608944608 0.88450391428135 32.065 > 5 25 S 0.25000000000000 0.16592391055392 0.61549608571865 32.065 > 9 26 S 0.75000000000000 0.16592391055392 0.61549608571865 32.065 > 9 27 S 0.25000000000000 0.66592391055392 0.61549608571865 32.065 > 9 28 S 0.75000000000000 0.66592391055392 0.61549608571865 32.065 > 9 29 S 0.00000000000000 0.16592391055392 0.88450391428135 32.065 > 13 30 S 0.50000000000000 0.16592391055392 0.88450391428135 32.065 > 13 31 S 0.00000000000000 0.66592391055392 0.88450391428135 32.065 > 13 32 S 0.50000000000000 0.66592391055392 0.88450391428135 32.065 > 13 33 S 0.00000000000000 0.08407608944608 0.61549608571865 32.065 > 1 34 S 0.50000000000000 0.08407608944608 0.61549608571865 32.065 > 1 35 S 0.00000000000000 0.58407608944608 0.61549608571865 32.065 > 1 36 S 0.50000000000000 0.58407608944608 0.61549608571865 32.065 > 1 37 S 0.25000000000000 0.08407608944608 0.88450391428135 32.065 > 5 38 S 0.75000000000000 0.08407608944608 0.88450391428135 32.065 > 5 39 S 0.25000000000000 0.58407608944608 0.88450391428135 32.065 > 5 40 S 0.75000000000000 0.58407608944608 0.88450391428135 32.065 > 5 41 S 0.00000000000000 0.41592391055392 0.61549608571865 32.065 > 9 42 S 0.50000000000000 0.41592391055392 0.61549608571865 32.065 > 9 43 S 0.00000000000000 0.91592391055392 0.61549608571865 32.065 > 9 44 S 0.50000000000000 0.91592391055392 0.61549608571865 32.065 > 9 45 S 0.25000000000000 0.41592391055392 0.88450391428135 32.065 > 13 46 S 0.75000000000000 0.41592391055392 0.88450391428135 32.065 > 13 47 S 0.25000000000000 0.91592391055392 0.88450391428135 32.065 > 13 48 S 0.75000000000000 0.91592391055392 0.88450391428135 32.065 > 13 49 S 0.00000000000000 0.33407608944608 0.11549608571865 32.065 > 1 50 S 0.50000000000000 0.33407608944608 0.11549608571865 32.065 > 1 51 S 0.00000000000000 0.83407608944608 0.11549608571865 32.065 > 1 52 S 0.50000000000000 0.83407608944608 0.11549608571865 32.065 > 1 53 S 0.25000000000000 0.33407608944608 0.38450391428135 32.065 > 5 54 S 0.75000000000000 0.33407608944608 0.38450391428135 32.065 > 5 55 S 0.25000000000000 0.83407608944608 0.38450391428135 32.065 > 5 56 S 0.75000000000000 0.83407608944608 0.38450391428135 32.065 > 5 57 S 0.00000000000000 0.16592391055392 0.11549608571865 32.065 > 9 58 S 0.50000000000000 0.16592391055392 0.11549608571865 32.065 > 9 59 S 0.00000000000000 0.66592391055392 0.11549608571865 32.065 > 9 60 S 0.50000000000000 0.66592391055392 0.11549608571865 32.065 > 9 61 S 0.25000000000000 0.16592391055392 0.38450391428135 32.065 > 13 62 S 0.75000000000000 0.16592391055392 0.38450391428135 32.065 > 13 63 S 0.25000000000000 0.66592391055392 0.38450391428135 32.065 > 13 64 S 0.75000000000000 0.66592391055392 0.38450391428135 32.065 > 13 65 Rb 0.00000000000000 0.00000000000000 0.15728161645297 85.468 > 65 66 Rb 0.50000000000000 0.00000000000000 0.15728161645297 85.468 > 65 67 Rb 0.00000000000000 0.50000000000000 0.15728161645297 85.468 > 65 68 Rb 0.50000000000000 0.50000000000000 0.15728161645297 85.468 > 65 69 Rb 0.25000000000000 0.00000000000000 0.34271838354703 85.468 > 69 70 Rb 0.75000000000000 0.00000000000000 0.34271838354703 85.468 > 69 71 Rb 0.25000000000000 0.50000000000000 0.34271838354703 85.468 > 69 72 Rb 0.75000000000000 0.50000000000000 0.34271838354703 85.468 > 69 73 Rb 0.00000000000000 0.25000000000000 0.65728161645297 85.468 > 65 74 Rb 0.50000000000000 0.25000000000000 0.65728161645297 85.468 > 65 75 Rb 0.00000000000000 0.75000000000000 0.65728161645297 85.468 > 65 76 Rb 0.50000000000000 0.75000000000000 0.65728161645297 85.468 > 65 77 Rb 0.25000000000000 0.25000000000000 0.84271838354703 85.468 > 69 78 Rb 0.75000000000000 0.25000000000000 0.84271838354703 85.468 > 69 79 Rb 0.25000000000000 0.75000000000000 0.84271838354703 85.468 > 69 80 Rb 0.75000000000000 0.75000000000000 0.84271838354703 85.468 > 69 81 Rb 0.25000000000000 0.00000000000000 0.65728161645297 85.468 > 65 82 Rb 0.75000000000000 0.00000000000000 0.65728161645297 85.468 > 65 83 Rb 0.25000000000000 0.50000000000000 0.65728161645297 85.468 > 65 84 Rb 0.75000000000000 0.50000000000000 0.65728161645297 85.468 > 65 85 Rb 0.00000000000000 0.00000000000000 0.84271838354703 85.468 > 69 86 Rb 0.50000000000000 0.00000000000000 0.84271838354703 85.468 > 69 87 Rb 0.00000000000000 0.50000000000000 0.84271838354703 85.468 > 69 88 Rb 0.50000000000000 0.50000000000000 0.84271838354703 85.468 > 69 89 Rb 0.25000000000000 0.25000000000000 0.15728161645297 85.468 > 65 90 Rb 0.75000000000000 0.25000000000000 0.15728161645297 85.468 > 65 91 Rb 0.25000000000000 0.75000000000000 0.15728161645297 85.468 > 65 92 Rb 0.75000000000000 0.75000000000000 0.15728161645297 85.468 > 65 93 Rb 0.00000000000000 0.25000000000000 0.34271838354703 85.468 > 69 94 Rb 0.50000000000000 0.25000000000000 0.34271838354703 85.468 > 69 95 Rb 0.00000000000000 0.75000000000000 0.34271838354703 85.468 > 69 96 Rb 0.50000000000000 0.75000000000000 0.34271838354703 85.468 > 69 97 Pd 0.37500000000000 0.37500000000000 0.00000000000000 106.420 > 97 98 Pd 0.87500000000000 0.37500000000000 0.00000000000000 106.420 > 97 99 Pd 0.37500000000000 0.87500000000000 0.00000000000000 106.420 > 97 100 Pd 0.87500000000000 0.87500000000000 0.00000000000000 106.420 > 97 101 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 101 102 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 101 103 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 101 104 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 101 105 Pd 0.37500000000000 0.12500000000000 0.00000000000000 106.420 > 105 106 Pd 0.87500000000000 0.12500000000000 0.00000000000000 106.420 > 105 107 Pd 0.37500000000000 0.62500000000000 0.00000000000000 106.420 > 105 108 Pd 0.87500000000000 0.62500000000000 0.00000000000000 106.420 > 105 109 Pd 0.37500000000000 0.12500000000000 0.50000000000000 106.420 > 97 110 Pd 0.87500000000000 0.12500000000000 0.50000000000000 106.420 > 97 111 Pd 0.37500000000000 0.62500000000000 0.50000000000000 106.420 > 97 112 Pd 0.87500000000000 0.62500000000000 0.50000000000000 106.420 > 97 113 Pd 0.25000000000000 0.25000000000000 0.50000000000000 106.420 > 101 114 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 101 115 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 101 116 Pd 0.75000000000000 0.75000000000000 0.50000000000000 106.420 > 101 117 Pd 0.37500000000000 0.37500000000000 0.50000000000000 106.420 > 105 118 Pd 0.87500000000000 0.37500000000000 0.50000000000000 106.420 > 105 119 Pd 0.37500000000000 0.87500000000000 0.50000000000000 106.420 > 105 120 Pd 0.87500000000000 0.87500000000000 0.50000000000000 106.420 > 105 121 Pd 0.12500000000000 0.37500000000000 0.50000000000000 106.420 > 97 122 Pd 0.62500000000000 0.37500000000000 0.50000000000000 106.420 > 97 123 Pd 0.12500000000000 0.87500000000000 0.50000000000000 106.420 > 97 124 Pd 0.62500000000000 0.87500000000000 0.50000000000000 106.420 > 97 125 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 101 126 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 101 127 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 101 128 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 101 129 Pd 0.12500000000000 0.12500000000000 0.50000000000000 106.420 > 105 130 Pd 0.62500000000000 0.12500000000000 0.50000000000000 106.420 > 105 131 Pd 0.12500000000000 0.62500000000000 0.50000000000000 106.420 > 105 132 Pd 0.62500000000000 0.62500000000000 0.50000000000000 106.420 > 105 133 Pd 0.12500000000000 0.12500000000000 0.00000000000000 106.420 > 97 134 Pd 0.62500000000000 0.12500000000000 0.00000000000000 106.420 > 97 135 Pd 0.12500000000000 0.62500000000000 0.00000000000000 106.420 > 97 136 Pd 0.62500000000000 0.62500000000000 0.00000000000000 106.420 > 97 137 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 101 138 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 101 139 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 101 140 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 101 141 Pd 0.12500000000000 0.37500000000000 0.00000000000000 106.420 > 105 142 Pd 0.62500000000000 0.37500000000000 0.00000000000000 106.420 > 105 143 Pd 0.12500000000000 0.87500000000000 0.00000000000000 106.420 > 105 144 Pd 0.62500000000000 0.87500000000000 0.00000000000000 106.420 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.4604726 0.0000000 0.0000000 0.0000000 7.5835594 0.0000000 0.0000000 0.0000000 4.9982415 -------------------------- Born effective charges -------------------------- 1 S -0.9086620 0.0000000 0.0000000 0.0000000 -0.9757439 0.1302014 0.0000000 0.0257096 -1.0352072 2 S -0.9086620 0.0000000 0.0000000 0.0000000 -0.9757439 -0.1302014 0.0000000 -0.0257096 -1.0352072 3 S -0.9086620 0.0000000 0.0000000 0.0000000 -0.9757439 -0.1302014 0.0000000 -0.0257096 -1.0352072 4 S -0.9086620 0.0000000 0.0000000 0.0000000 -0.9757439 0.1302014 0.0000000 0.0257096 -1.0352072 5 Rb 1.3680667 0.0000000 0.0000000 0.0000000 1.5724649 0.0000000 0.0000000 0.0000000 1.3660450 6 Rb 1.3680667 0.0000000 0.0000000 0.0000000 1.5724649 0.0000000 0.0000000 0.0000000 1.3660450 7 Pd 0.6477297 -0.6865082 0.0000000 -0.7076970 -0.1093598 0.0000000 0.0000000 0.0000000 0.4858474 8 Pd -0.3969447 0.0000000 0.0000000 0.0000000 0.9767654 0.0000000 0.0000000 0.0000000 0.4370439 9 Pd 0.6477297 0.6865082 0.0000000 0.7076970 -0.1093598 0.0000000 0.0000000 0.0000000 0.4858474 ---------------------------------------------------------------------------- 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 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.69, Number of G-points: 307, 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: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-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 1.713 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 7.311 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.724 ( 0.000 0.000 0.000) 0.000 8.750 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 9.173 ( 0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 10.823 ( 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: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( -8.137 7.205 10.204) 14.908 0.314 ( -12.408 8.574 4.419) 15.716 0.653 ( -26.911 18.780 3.951) 33.053 1.719 ( -0.679 -0.611 0.551) 1.067 1.938 ( 4.517 -0.302 -0.077) 4.528 2.015 ( -3.222 -10.611 -3.732) 11.701 2.191 ( -3.340 -1.404 1.228) 3.825 2.372 ( 4.607 1.773 3.968) 6.333 2.443 ( 4.232 9.420 -2.414) 10.606 2.704 ( -2.227 0.429 -0.029) 2.268 3.557 ( 4.775 -6.008 0.380) 7.684 3.651 ( 6.595 0.308 -0.197) 6.605 4.284 ( 5.096 -3.421 0.044) 6.138 4.319 ( 2.419 -0.759 -0.004) 2.535 5.545 ( 7.958 -3.280 0.223) 8.610 7.344 ( -3.274 0.344 -0.068) 3.293 7.374 ( -1.559 2.035 -0.009) 2.563 7.894 ( 0.370 0.402 -0.060) 0.549 7.996 ( -0.503 -0.020 0.396) 0.641 8.446 ( -5.661 0.829 0.056) 5.722 8.515 ( -3.414 4.118 -0.146) 5.351 8.751 ( -0.317 -1.254 3.243) 3.492 8.776 ( -0.590 1.540 2.328) 2.853 9.138 ( 1.022 1.843 0.168) 2.114 9.318 ( -1.108 -0.561 -2.111) 2.449 9.808 ( -1.391 1.229 0.660) 1.970 10.803 ( 1.722 -1.003 -0.471) 2.047 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -11.736 8.097 6.124) 15.518 0.630 ( -12.513 8.732 4.483) 15.903 1.263 ( -23.744 16.552 2.274) 29.033 1.731 ( -0.896 -0.960 1.706) 2.153 1.850 ( 6.357 -0.078 3.088) 7.068 1.954 ( -2.638 -4.410 -5.972) 7.878 2.198 ( 1.143 0.451 -2.762) 3.023 2.346 ( 2.999 -1.088 4.550) 5.557 2.448 ( -0.737 2.976 -3.587) 4.719 2.771 ( -4.798 2.060 0.017) 5.222 3.320 ( 14.023 -10.487 -0.004) 17.511 3.555 ( 6.057 0.380 0.219) 6.073 4.121 ( 9.557 -5.555 0.075) 11.054 4.238 ( 5.988 -2.955 0.003) 6.677 5.344 ( 11.419 -4.767 0.432) 12.382 7.394 ( -2.416 0.913 -0.212) 2.591 7.458 ( -5.381 3.014 -0.147) 6.169 7.889 ( 0.898 0.654 0.039) 1.112 8.010 ( -0.775 -0.179 0.593) 0.992 8.547 ( -5.491 1.197 -0.088) 5.621 8.665 ( -8.189 6.229 -0.014) 10.289 8.779 ( -1.704 -0.417 1.584) 2.364 8.828 ( -1.726 1.986 1.619) 3.090 9.140 ( 0.527 0.840 0.262) 1.025 9.311 ( -0.048 -0.409 -1.176) 1.246 9.868 ( -2.975 2.380 1.301) 4.026 10.741 ( 3.417 -1.903 -1.113) 4.066 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -14.381 8.626 2.058) 16.895 0.955 ( -13.733 8.923 3.943) 16.845 1.628 ( -4.603 4.221 -1.607) 6.449 1.786 ( -1.048 0.628 2.513) 2.795 1.796 ( 1.321 0.646 0.929) 1.739 1.963 ( -4.560 0.959 -1.088) 4.785 2.160 ( -1.596 1.455 -3.219) 3.876 2.325 ( 1.210 -1.644 2.803) 3.467 2.497 ( -6.164 4.066 -2.465) 7.785 2.900 ( -7.286 3.957 -0.028) 8.292 2.940 ( 18.785 -11.580 -0.086) 22.068 3.463 ( 5.236 -0.485 0.340) 5.269 3.884 ( 12.546 -6.285 0.089) 14.032 4.051 ( 11.997 -6.870 -0.001) 13.824 5.133 ( 9.155 -3.814 0.510) 9.931 7.440 ( -2.132 1.233 -0.251) 2.475 7.580 ( -6.083 2.934 -0.493) 6.772 7.876 ( 1.629 0.645 0.351) 1.787 8.023 ( -0.694 -0.476 0.508) 0.983 8.643 ( -4.592 1.813 -0.213) 4.942 8.816 ( -1.876 -0.058 0.893) 2.078 8.859 ( -7.714 4.880 0.345) 9.135 8.890 ( -2.703 1.986 1.310) 3.601 9.140 ( 0.400 0.258 0.214) 0.522 9.292 ( 0.954 -0.501 -1.039) 1.497 9.968 ( -4.605 3.266 1.808) 5.928 10.641 ( 4.854 -2.595 -1.780) 5.785 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -10.904 7.140 1.678) 13.142 1.305 ( -16.409 8.418 0.294) 18.445 1.648 ( 1.784 0.455 1.464) 2.353 1.757 ( 0.792 -0.927 -1.807) 2.179 1.794 ( 0.924 -1.565 0.163) 1.824 1.937 ( 4.151 0.015 -0.881) 4.244 2.224 ( -1.451 0.255 -0.434) 1.535 2.328 ( -0.282 -0.333 0.831) 0.938 2.512 ( 18.099 -10.783 -0.297) 21.069 2.787 ( -20.903 10.227 -0.278) 23.273 3.091 ( -9.542 6.621 -0.013) 11.614 3.391 ( 3.119 -0.515 0.237) 3.170 3.612 ( 14.807 -4.257 0.103) 15.407 3.721 ( 16.950 -12.611 -0.016) 21.127 5.001 ( 4.285 -1.750 0.340) 4.641 7.477 ( -1.325 0.828 -0.179) 1.573 7.691 ( -4.985 2.118 -0.745) 5.467 7.852 ( 2.353 0.240 0.678) 2.461 8.030 ( -0.371 -0.529 0.245) 0.691 8.717 ( -2.688 1.278 -0.188) 2.982 8.847 ( -1.206 0.030 0.442) 1.285 8.931 ( -1.183 1.069 0.763) 1.768 9.031 ( -6.274 3.246 0.731) 7.102 9.136 ( 0.228 -0.184 0.026) 0.294 9.253 ( 2.097 -0.737 -0.972) 2.426 10.097 ( -5.173 3.286 1.886) 6.412 10.517 ( 5.186 -2.748 -1.959) 6.187 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -0.000 0.000 0.000) 0.000 1.540 ( -0.000 0.000 0.000) 0.000 1.611 ( 0.000 -0.000 0.000) 0.000 1.742 ( -0.000 0.000 0.000) 0.000 1.764 ( -0.000 0.000 0.000) 0.000 1.915 ( -0.000 0.000 0.000) 0.000 2.197 ( -0.000 -0.000 0.000) 0.000 2.265 ( -0.000 0.000 0.000) 0.000 2.344 ( -0.000 0.000 0.000) 0.000 3.220 ( -0.000 0.000 0.000) 0.000 3.254 ( 0.000 -0.000 0.000) 0.000 3.348 ( 0.000 -0.000 0.000) 0.000 3.364 ( -0.000 -0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 4.961 ( -0.000 0.000 0.000) 0.000 7.491 ( -0.000 0.000 0.000) 0.000 7.749 ( -0.000 0.000 0.000) 0.000 7.828 ( 0.000 -0.000 0.000) 0.000 8.031 ( -0.000 0.000 0.000) 0.000 8.744 ( -0.000 0.000 0.000) 0.000 8.859 ( -0.000 -0.000 0.000) 0.000 8.949 ( -0.000 0.000 0.000) 0.000 9.123 ( 0.000 -0.000 -0.000) 0.000 9.125 ( -0.000 0.000 0.000) 0.000 9.214 ( -0.000 0.000 0.000) 0.000 10.181 ( -0.000 0.000 0.000) 0.000 10.435 ( -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: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.190 ( -0.000 -0.000 12.317) 12.317 0.204 ( -0.000 -0.000 13.028) 13.028 0.376 ( -0.000 -0.000 24.194) 24.194 1.720 ( -0.000 -0.000 0.903) 0.903 1.838 ( 0.000 0.000 -4.189) 4.189 2.141 ( -0.000 -0.000 2.334) 2.334 2.212 ( 0.000 0.000 -1.703) 1.703 2.347 ( 0.000 0.000 -4.876) 4.876 2.532 ( -0.000 -0.000 1.180) 1.180 2.682 ( -0.000 -0.000 0.050) 0.050 3.621 ( -0.000 -0.000 0.776) 0.776 3.712 ( 0.000 0.000 -0.658) 0.658 4.338 ( -0.000 -0.000 0.065) 0.065 4.345 ( -0.000 -0.000 0.095) 0.095 5.631 ( -0.000 -0.000 0.426) 0.426 7.310 ( 0.000 0.000 -0.175) 0.175 7.353 ( 0.000 0.000 -0.158) 0.158 7.894 ( 0.000 0.000 -0.165) 0.165 7.997 ( -0.000 -0.000 0.809) 0.809 8.388 ( -0.000 -0.000 0.151) 0.151 8.470 ( 0.000 0.000 -0.314) 0.314 8.745 ( 0.000 0.000 -0.547) 0.547 9.024 ( -0.000 -0.000 0.325) 0.325 9.129 ( -0.000 -0.000 0.353) 0.353 9.176 ( -0.000 -0.000 0.355) 0.355 9.799 ( -0.000 -0.000 1.253) 1.253 10.820 ( 0.000 0.000 -0.358) 0.358 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -9.536 5.516 8.743) 14.064 0.468 ( -6.347 4.025 13.271) 15.252 0.770 ( -19.894 14.797 10.967) 27.111 1.733 ( -0.526 -0.124 1.365) 1.468 1.860 ( -5.201 -1.368 -7.585) 9.298 2.029 ( 9.162 -3.536 3.317) 10.365 2.188 ( -0.086 -0.059 -1.439) 1.443 2.364 ( -1.418 4.085 -5.470) 6.973 2.456 ( 4.931 -1.829 3.729) 6.448 2.704 ( -2.174 0.663 0.010) 2.273 3.566 ( 5.415 -6.432 0.712) 8.438 3.646 ( 5.901 0.508 -0.462) 5.940 4.285 ( 5.097 -3.422 0.112) 6.140 4.319 ( 2.427 -0.777 0.059) 2.549 5.551 ( 7.862 -3.414 0.588) 8.592 7.341 ( -3.222 0.271 -0.275) 3.245 7.372 ( -1.581 2.191 -0.172) 2.708 7.892 ( 0.275 0.404 -0.156) 0.513 8.007 ( -0.427 -0.077 1.063) 1.148 8.447 ( -5.592 0.713 0.163) 5.639 8.511 ( -3.513 4.221 -0.385) 5.506 8.756 ( -1.276 0.806 -0.560) 1.610 8.873 ( 4.311 -2.882 6.819) 8.567 9.142 ( 0.874 1.661 0.303) 1.901 9.275 ( -3.343 0.565 -2.886) 4.453 9.827 ( -1.491 1.103 1.764) 2.559 10.792 ( 2.059 -1.187 -0.836) 2.519 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -8.211 4.400 8.610) 12.685 0.722 ( -10.645 6.457 7.323) 14.444 1.308 ( -20.006 14.337 3.296) 24.833 1.762 ( -1.613 0.820 2.080) 2.757 1.843 ( -1.548 -2.712 -7.079) 7.737 1.916 ( 4.713 -0.102 4.392) 6.444 2.154 ( 2.506 0.569 -3.144) 4.061 2.365 ( 0.090 1.579 -4.564) 4.830 2.420 ( -0.028 -1.893 2.485) 3.124 2.771 ( -4.722 2.159 0.038) 5.192 3.319 ( 14.244 -10.463 -0.122) 17.674 3.559 ( 5.495 -0.230 0.330) 5.510 4.123 ( 9.582 -5.535 0.117) 11.066 4.238 ( 5.977 -3.028 0.040) 6.700 5.352 ( 11.274 -5.047 0.691) 12.372 7.389 ( -2.462 0.876 -0.344) 2.635 7.455 ( -5.145 3.057 -0.361) 5.996 7.890 ( 0.675 0.698 0.064) 0.973 8.022 ( -0.602 -0.347 1.002) 1.219 8.545 ( -5.276 1.302 -0.169) 5.437 8.665 ( -8.511 6.167 0.025) 10.510 8.788 ( -1.865 0.840 -0.126) 2.049 8.878 ( -0.034 0.022 4.336) 4.336 9.145 ( 0.426 0.592 0.273) 0.779 9.287 ( -0.649 -0.103 -1.856) 1.969 9.895 ( -3.191 2.067 2.127) 4.356 10.720 ( 3.771 -2.075 -1.589) 4.588 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -12.308 5.324 3.950) 13.979 1.019 ( -12.318 7.078 4.295) 14.841 1.610 ( -4.905 4.342 -0.890) 6.611 1.778 ( 0.987 -1.720 -3.090) 3.671 1.820 ( 0.773 1.600 1.906) 2.605 1.969 ( -1.833 1.670 1.513) 2.905 2.118 ( -4.072 2.376 -1.929) 5.094 2.345 ( -0.058 -0.487 -0.465) 0.676 2.470 ( -6.933 3.147 -0.491) 7.629 2.900 ( -7.044 3.855 0.005) 8.030 2.937 ( 18.455 -11.747 -0.275) 21.878 3.469 ( 4.921 -1.138 0.331) 5.061 3.886 ( 12.556 -6.283 0.107) 14.040 4.051 ( 11.939 -6.978 0.033) 13.828 5.141 ( 9.086 -4.212 0.621) 10.034 7.435 ( -2.194 1.248 -0.317) 2.544 7.571 ( -5.899 2.882 -0.673) 6.600 7.883 ( 1.357 0.744 0.438) 1.609 8.032 ( -0.456 -0.706 0.665) 1.071 8.639 ( -4.528 1.936 -0.216) 4.929 8.823 ( -1.711 0.913 0.100) 1.942 8.867 ( -8.522 4.763 0.573) 9.780 8.919 ( -1.230 0.735 2.556) 2.930 9.143 ( 0.304 -0.086 0.164) 0.356 9.272 ( 0.701 -0.321 -1.571) 1.750 10.000 ( -4.835 2.782 2.224) 6.005 10.611 ( 5.030 -2.679 -2.115) 6.079 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -11.747 5.417 2.206) 13.122 1.310 ( -13.785 5.824 0.417) 14.970 1.650 ( 0.285 0.571 -1.628) 1.749 1.749 ( 0.325 -0.180 1.162) 1.220 1.797 ( 2.074 -2.412 0.236) 3.190 1.923 ( 3.312 1.523 -0.916) 3.759 2.209 ( -2.351 0.859 -1.360) 2.849 2.342 ( 0.654 -1.042 0.914) 1.532 2.505 ( 18.043 -11.417 -0.546) 21.359 2.787 ( -21.553 10.001 0.297) 23.762 3.091 ( -9.436 6.827 -0.003) 11.647 3.394 ( 2.907 -1.131 0.134) 3.122 3.614 ( 14.742 -4.350 0.099) 15.371 3.721 ( 16.961 -12.719 0.035) 21.200 5.006 ( 4.331 -2.191 0.334) 4.865 7.474 ( -1.433 0.907 -0.189) 1.706 7.679 ( -5.059 2.040 -0.791) 5.512 7.863 ( 2.270 0.246 0.682) 2.383 8.034 ( -0.148 -0.670 0.278) 0.740 8.715 ( -2.732 1.391 -0.055) 3.066 8.851 ( -0.799 0.485 0.054) 0.936 8.949 ( -0.477 0.222 1.484) 1.574 9.041 ( -6.462 3.342 0.577) 7.298 9.136 ( 0.252 -0.565 -0.027) 0.619 9.236 ( 1.706 -0.585 -1.258) 2.198 10.126 ( -4.959 2.521 1.769) 5.838 10.487 ( 4.684 -2.501 -1.847) 5.622 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 1.896 -2.449 0.715) 3.179 1.524 ( -5.176 0.560 -1.740) 5.489 1.606 ( 2.233 -1.691 -0.591) 2.863 1.745 ( -0.074 1.208 0.417) 1.280 1.789 ( 0.069 -0.241 2.864) 2.875 1.908 ( 0.792 -0.448 -1.019) 1.366 2.196 ( 0.906 -0.689 -0.131) 1.146 2.255 ( -2.734 1.776 -1.053) 3.426 2.348 ( 0.557 -0.753 0.377) 1.009 3.221 ( -2.157 -0.726 0.099) 2.279 3.255 ( 2.791 -0.468 0.058) 2.831 3.349 ( -0.376 2.064 0.123) 2.102 3.364 ( -0.473 -0.933 -0.078) 1.049 3.386 ( 0.108 -0.954 -0.047) 0.961 4.961 ( 0.076 -0.418 -0.003) 0.425 7.491 ( -0.123 0.103 -0.010) 0.161 7.747 ( -1.471 0.284 -0.225) 1.515 7.829 ( 1.306 -0.455 0.185) 1.395 8.031 ( 0.194 -0.035 0.032) 0.200 8.746 ( -0.065 0.089 0.160) 0.194 8.857 ( 0.448 0.314 -0.254) 0.604 8.953 ( 0.611 -0.665 0.476) 1.021 9.114 ( 1.802 -1.202 -0.640) 2.258 9.131 ( -0.740 0.689 0.303) 1.055 9.214 ( -1.554 0.378 -0.025) 1.600 10.177 ( 1.725 -1.559 -0.472) 2.373 10.439 ( -2.104 1.113 0.455) 2.423 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 10.650 -8.297 -0.769) 13.522 1.301 ( 17.721 -10.846 -0.215) 20.778 1.624 ( -2.910 0.436 -1.310) 3.221 1.783 ( 0.061 0.200 0.930) 0.953 1.795 ( -0.779 1.363 0.535) 1.659 1.949 ( -4.461 1.130 0.630) 4.645 2.220 ( -0.450 0.747 -0.691) 1.113 2.321 ( 2.268 -1.080 -0.093) 2.513 2.515 ( -18.539 10.466 0.149) 21.290 2.793 ( 20.139 -10.089 0.413) 22.529 3.091 ( 9.606 -6.502 0.011) 11.599 3.388 ( -3.274 0.037 -0.194) 3.280 3.611 ( -14.860 4.184 -0.066) 15.438 3.721 ( -16.928 12.503 0.033) 21.045 4.997 ( -4.246 1.393 -0.213) 4.474 7.479 ( 1.240 -0.756 0.105) 1.456 7.700 ( 4.895 -2.202 0.435) 5.384 7.844 ( -2.403 -0.235 -0.417) 2.451 8.027 ( 0.564 0.427 -0.134) 0.720 8.720 ( 2.701 -1.229 0.203) 2.974 8.839 ( 1.691 0.247 -0.532) 1.790 8.925 ( 1.610 -1.538 -0.070) 2.228 9.020 ( 6.095 -3.197 -0.556) 6.905 9.135 ( -0.256 -0.205 -0.051) 0.332 9.265 ( -2.333 0.863 0.497) 2.536 10.072 ( 5.230 -3.837 -1.207) 6.598 10.542 ( -5.501 2.885 1.251) 6.336 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 15.805 -10.816 0.551) 19.160 0.903 ( 14.323 -10.224 -2.711) 17.805 1.661 ( 1.428 -1.623 2.619) 3.396 1.731 ( 7.984 -5.557 -3.695) 10.405 1.786 ( -0.874 -0.498 -0.387) 1.078 1.984 ( 1.849 1.367 1.052) 2.529 2.212 ( 0.476 -0.377 3.662) 3.712 2.273 ( -0.493 0.421 -3.771) 3.826 2.528 ( 5.014 -3.740 1.229) 6.375 2.900 ( 7.526 -4.189 0.020) 8.613 2.941 ( -19.141 11.668 -0.012) 22.417 3.460 ( -5.428 0.102 -0.148) 5.431 3.883 ( -12.541 6.284 -0.034) 14.027 4.051 ( -12.032 6.805 0.007) 13.823 5.127 ( -9.197 3.566 -0.197) 9.867 7.442 ( 2.096 -1.216 0.094) 2.425 7.585 ( 6.205 -2.986 0.174) 6.889 7.873 ( -1.797 -0.586 -0.134) 1.895 8.018 ( 0.842 0.344 -0.187) 0.928 8.645 ( 4.664 -1.763 0.094) 4.987 8.802 ( 2.442 0.214 -0.651) 2.537 8.858 ( 8.057 -5.091 0.067) 9.531 8.877 ( 2.442 -2.186 -0.396) 3.301 9.137 ( -0.460 -0.520 -0.105) 0.703 9.302 ( -1.125 0.615 0.356) 1.330 9.949 ( 4.449 -3.563 -0.692) 5.742 10.661 ( -4.779 2.562 0.698) 5.467 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 14.168 -10.734 -0.000) 17.775 0.595 ( 12.898 -9.423 -0.000) 15.973 1.245 ( 25.407 -17.196 -0.000) 30.680 1.716 ( 0.227 1.740 0.000) 1.755 1.826 ( -5.671 -0.739 0.000) 5.718 2.005 ( 1.792 6.457 0.000) 6.701 2.232 ( 2.047 0.900 -0.000) 2.236 2.293 ( -5.216 -1.798 0.000) 5.517 2.477 ( -0.166 -3.180 -0.000) 3.184 2.771 ( 4.833 -2.008 -0.000) 5.234 3.320 ( -13.924 10.485 0.000) 17.431 3.553 ( -6.278 -0.587 0.000) 6.306 4.121 ( -9.547 5.562 0.000) 11.049 4.238 ( -5.995 2.931 0.000) 6.673 5.340 ( -11.475 4.660 0.000) 12.385 7.395 ( 2.399 -0.925 -0.000) 2.571 7.459 ( 5.494 -3.011 -0.000) 6.265 7.888 ( -0.983 -0.636 0.000) 1.171 8.005 ( 0.840 0.118 -0.000) 0.849 8.547 ( 5.573 -1.176 -0.000) 5.696 8.665 ( 8.077 -6.238 -0.000) 10.205 8.761 ( 2.346 0.224 -0.000) 2.356 8.819 ( 2.086 -2.293 -0.000) 3.100 9.138 ( -0.565 -0.956 0.000) 1.111 9.321 ( -0.301 0.583 0.000) 0.656 9.858 ( 2.887 -2.498 -0.000) 3.818 10.750 ( -3.321 1.860 0.000) 3.806 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -0.000 -0.000 11.340) 11.340 0.390 ( -0.000 -0.000 11.334) 11.334 0.727 ( -0.000 -0.000 21.681) 21.681 1.741 ( -0.000 -0.000 1.792) 1.792 1.758 ( 0.000 0.000 -5.929) 5.929 2.174 ( 0.000 0.000 -3.164) 3.164 2.180 ( -0.000 -0.000 2.585) 2.585 2.260 ( 0.000 0.000 -6.148) 6.148 2.540 ( 0.000 0.000 -0.292) 0.292 2.683 ( -0.000 -0.000 0.081) 0.081 3.637 ( -0.000 -0.000 1.214) 1.214 3.698 ( 0.000 0.000 -1.067) 1.067 4.339 ( -0.000 -0.000 0.104) 0.104 4.347 ( -0.000 -0.000 0.143) 0.143 5.640 ( -0.000 -0.000 0.691) 0.691 7.306 ( 0.000 0.000 -0.280) 0.280 7.350 ( 0.000 0.000 -0.233) 0.233 7.890 ( 0.000 0.000 -0.262) 0.262 8.014 ( -0.000 -0.000 1.371) 1.371 8.392 ( -0.000 -0.000 0.240) 0.240 8.463 ( 0.000 0.000 -0.566) 0.566 8.735 ( 0.000 0.000 -0.708) 0.708 9.031 ( -0.000 -0.000 0.531) 0.531 9.134 ( -0.000 -0.000 0.326) 0.326 9.184 ( -0.000 -0.000 0.572) 0.572 9.825 ( -0.000 -0.000 2.082) 2.082 10.813 ( 0.000 0.000 -0.584) 0.584 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -7.708 3.768 8.687) 12.210 0.652 ( -9.296 6.109 10.838) 15.531 0.958 ( -9.777 7.183 12.623) 17.508 1.739 ( -2.379 -1.200 -5.285) 5.919 1.769 ( -1.295 1.434 0.511) 1.999 2.069 ( 6.859 -2.807 1.564) 7.575 2.156 ( 2.191 2.058 -2.665) 4.017 2.279 ( -2.254 2.049 -5.036) 5.886 2.491 ( 1.970 -3.326 0.873) 3.963 2.704 ( -2.106 0.803 0.051) 2.254 3.575 ( 6.621 -6.733 0.385) 9.451 3.640 ( 4.444 0.423 -0.219) 4.469 4.287 ( 5.103 -3.418 0.131) 6.143 4.321 ( 2.446 -0.819 0.102) 2.582 5.562 ( 7.731 -3.623 0.726) 8.569 7.336 ( -3.150 0.285 -0.373) 3.184 7.369 ( -1.560 2.238 -0.258) 2.741 7.889 ( 0.122 0.404 -0.187) 0.462 8.026 ( -0.313 -0.186 1.384) 1.431 8.450 ( -5.377 0.561 0.165) 5.409 8.504 ( -3.794 4.394 -0.494) 5.827 8.747 ( -1.363 1.019 -0.594) 1.802 8.957 ( 3.628 -2.524 4.330) 6.187 9.146 ( 0.596 1.403 0.111) 1.528 9.239 ( -3.205 0.501 -1.847) 3.733 9.859 ( -1.635 0.901 2.227) 2.906 10.779 ( 2.519 -1.429 -0.859) 3.021 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -9.111 4.930 6.768) 12.374 0.852 ( -4.769 1.317 9.401) 10.623 1.348 ( -16.781 11.214 1.432) 20.234 1.720 ( -2.443 -1.113 -6.651) 7.172 1.814 ( -0.376 2.690 2.878) 3.957 1.988 ( 3.234 -0.393 4.805) 5.805 2.102 ( 2.878 0.536 -3.709) 4.725 2.287 ( -1.735 1.816 -5.006) 5.601 2.452 ( 0.114 -2.924 1.367) 3.230 2.772 ( -4.644 2.252 0.047) 5.161 3.316 ( 14.432 -10.389 -0.238) 17.784 3.564 ( 4.873 -1.105 0.328) 5.008 4.124 ( 9.613 -5.505 0.111) 11.078 4.239 ( 5.959 -3.126 0.070) 6.729 5.363 ( 11.097 -5.395 0.680) 12.358 7.384 ( -2.523 0.817 -0.348) 2.674 7.448 ( -4.884 3.132 -0.444) 5.820 7.891 ( 0.397 0.748 0.068) 0.849 8.038 ( -0.383 -0.574 1.057) 1.262 8.542 ( -5.029 1.518 -0.213) 5.257 8.666 ( -8.937 6.026 0.062) 10.779 8.784 ( -2.023 1.354 -0.327) 2.457 8.943 ( 0.822 -0.752 4.028) 4.179 9.148 ( 0.270 0.360 0.109) 0.463 9.258 ( -0.899 0.079 -1.966) 2.163 9.928 ( -3.431 1.678 2.139) 4.377 10.696 ( 4.286 -2.330 -1.432) 5.085 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -9.859 1.853 3.985) 10.794 1.080 ( -10.923 5.855 3.625) 12.912 1.599 ( -4.048 3.045 -0.621) 5.104 1.716 ( -3.779 0.782 -4.329) 5.800 1.852 ( 2.038 1.954 2.289) 3.635 1.976 ( 4.599 -0.519 -1.171) 4.774 2.114 ( -6.118 2.523 1.387) 6.762 2.319 ( -3.643 2.629 -2.310) 5.051 2.478 ( -6.361 1.298 0.976) 6.565 2.900 ( -7.011 4.057 0.042) 8.100 2.933 ( 18.412 -12.242 -0.329) 22.113 3.473 ( 4.605 -1.843 0.204) 4.965 3.887 ( 12.566 -6.279 0.084) 14.047 4.052 ( 11.877 -7.087 0.054) 13.831 5.150 ( 9.015 -4.608 0.494) 10.136 7.430 ( -2.262 1.248 -0.262) 2.597 7.561 ( -5.719 2.860 -0.588) 6.421 7.889 ( 1.088 0.847 0.359) 1.424 8.042 ( -0.219 -0.958 0.567) 1.134 8.636 ( -4.505 2.120 -0.153) 4.981 8.823 ( -1.688 1.286 -0.039) 2.122 8.874 ( -9.086 4.919 0.283) 10.336 8.961 ( -0.070 -0.213 2.615) 2.625 9.145 ( 0.202 -0.354 0.072) 0.414 9.246 ( 0.470 -0.127 -1.651) 1.721 10.032 ( -5.038 2.294 1.784) 5.816 10.581 ( 5.253 -2.786 -1.652) 6.171 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -13.882 3.710 1.533) 14.451 1.318 ( -9.800 4.125 0.636) 10.651 1.614 ( -0.547 -0.227 -2.358) 2.431 1.778 ( -1.873 1.721 1.952) 3.207 1.801 ( 3.906 -3.247 0.261) 5.086 1.910 ( 2.238 2.827 -0.836) 3.701 2.189 ( -2.109 0.517 -1.119) 2.443 2.353 ( 0.037 -0.528 0.523) 0.744 2.496 ( 18.597 -12.190 -0.577) 22.244 2.794 ( -21.702 9.439 0.486) 23.671 3.091 ( -9.322 7.053 0.008) 11.690 3.395 ( 2.729 -1.668 0.027) 3.198 3.615 ( 14.693 -4.424 0.059) 15.344 3.721 ( 16.951 -12.785 0.049) 21.232 5.010 ( 4.366 -2.546 0.203) 5.058 7.471 ( -1.521 0.965 -0.122) 1.806 7.669 ( -5.095 1.998 -0.510) 5.496 7.872 ( 2.195 0.247 0.423) 2.249 8.038 ( 0.022 -0.795 0.186) 0.817 8.715 ( -2.810 1.533 0.019) 3.201 8.850 ( -0.573 0.693 -0.061) 0.902 8.971 ( 0.239 -0.430 1.260) 1.352 9.047 ( -6.579 3.412 0.287) 7.417 9.135 ( 0.327 -0.771 -0.042) 0.839 9.218 ( 1.239 -0.462 -0.994) 1.654 10.147 ( -4.608 1.803 1.008) 5.050 10.464 ( 4.125 -2.203 -1.059) 4.795 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 3.708 -4.286 0.534) 5.693 1.500 ( -7.240 0.838 -0.998) 7.356 1.597 ( 1.564 -1.958 -0.393) 2.537 1.751 ( -1.015 1.715 0.239) 2.007 1.838 ( 2.038 -0.839 3.299) 3.967 1.883 ( 0.636 -0.333 -2.255) 2.367 2.193 ( 1.443 -1.393 -0.163) 2.012 2.241 ( -4.133 2.493 -0.526) 4.855 2.352 ( 0.510 -0.636 0.165) 0.832 3.223 ( -3.423 -1.235 0.063) 3.640 3.256 ( 4.479 -0.728 0.035) 4.538 3.351 ( -0.980 3.326 0.112) 3.470 3.362 ( -0.365 -0.980 -0.090) 1.049 3.385 ( 0.123 -2.037 -0.024) 2.041 4.961 ( 0.123 -0.676 -0.002) 0.687 7.491 ( -0.198 0.166 -0.006) 0.259 7.744 ( -2.236 0.432 -0.130) 2.281 7.832 ( 1.967 -0.711 0.106) 2.094 8.031 ( 0.314 -0.053 0.020) 0.319 8.748 ( -0.120 0.157 0.102) 0.223 8.853 ( 0.727 0.417 -0.149) 0.851 8.960 ( 1.035 -0.996 0.300) 1.467 9.107 ( 2.156 -1.217 -0.314) 2.495 9.134 ( -0.513 0.359 0.086) 0.632 9.214 ( -2.471 0.636 -0.013) 2.552 10.170 ( 2.649 -2.422 -0.278) 3.600 10.446 ( -3.261 1.701 0.268) 3.688 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 10.576 -8.668 -0.000) 13.674 1.299 ( 18.104 -11.869 -0.000) 21.648 1.614 ( -3.276 0.758 0.000) 3.362 1.786 ( 0.697 -0.068 -0.000) 0.701 1.803 ( -0.965 1.343 0.000) 1.653 1.954 ( -4.453 1.541 0.000) 4.712 2.213 ( -1.279 0.932 0.000) 1.583 2.321 ( 3.047 -1.526 -0.000) 3.408 2.516 ( -18.783 10.397 0.000) 21.468 2.796 ( 19.823 -9.983 -0.000) 22.195 3.091 ( 9.625 -6.466 -0.000) 11.596 3.386 ( -3.329 -0.144 0.000) 3.332 3.610 ( -14.880 4.157 0.000) 15.449 3.721 ( -16.917 12.458 0.000) 21.009 4.995 ( -4.231 1.256 0.000) 4.414 7.480 ( 1.208 -0.727 -0.000) 1.410 7.704 ( 4.851 -2.238 -0.000) 5.342 7.841 ( -2.417 -0.234 0.000) 2.428 8.026 ( 0.641 0.392 -0.000) 0.752 8.722 ( 2.718 -1.219 -0.000) 2.979 8.834 ( 1.904 0.281 -0.000) 1.925 8.925 ( 1.755 -1.604 -0.000) 2.378 9.016 ( 6.018 -3.197 -0.000) 6.815 9.135 ( -0.278 -0.374 0.000) 0.466 9.269 ( -2.409 0.911 0.000) 2.576 10.063 ( 5.232 -4.036 -0.000) 6.607 10.552 ( -5.607 2.927 0.000) 6.325 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -0.000 -0.000 9.327) 9.327 0.542 ( -0.000 -0.000 8.485) 8.485 1.024 ( -0.000 -0.000 17.049) 17.049 1.667 ( 0.000 0.000 -5.882) 5.882 1.774 ( -0.000 -0.000 2.543) 2.543 2.118 ( 0.000 0.000 -4.014) 4.014 2.171 ( 0.000 0.000 -5.299) 5.299 2.215 ( -0.000 -0.000 1.931) 1.931 2.522 ( 0.000 0.000 -1.895) 1.895 2.684 ( -0.000 -0.000 0.082) 0.082 3.656 ( -0.000 -0.000 1.178) 1.178 3.681 ( 0.000 0.000 -1.071) 1.071 4.341 ( -0.000 -0.000 0.104) 0.104 4.350 ( -0.000 -0.000 0.130) 0.130 5.651 ( -0.000 -0.000 0.691) 0.691 7.302 ( 0.000 0.000 -0.276) 0.276 7.347 ( 0.000 0.000 -0.206) 0.206 7.886 ( 0.000 0.000 -0.257) 0.257 8.036 ( -0.000 -0.000 1.464) 1.464 8.395 ( -0.000 -0.000 0.234) 0.234 8.454 ( 0.000 0.000 -0.653) 0.653 8.726 ( 0.000 0.000 -0.533) 0.533 9.039 ( -0.000 -0.000 0.537) 0.537 9.138 ( -0.000 -0.000 0.087) 0.087 9.193 ( -0.000 -0.000 0.568) 0.568 9.858 ( -0.000 -0.000 2.131) 2.131 10.803 ( 0.000 0.000 -0.589) 0.589 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -6.427 3.360 6.366) 9.651 0.798 ( -12.859 8.404 8.231) 17.428 1.121 ( -0.980 0.379 8.083) 8.151 1.650 ( -2.513 -0.767 -4.852) 5.518 1.806 ( -0.108 2.418 2.950) 3.816 2.070 ( 1.701 -1.477 -1.388) 2.646 2.112 ( 3.381 2.211 -2.768) 4.897 2.227 ( -0.143 0.304 -1.723) 1.755 2.488 ( 0.227 -2.721 -0.973) 2.899 2.705 ( -2.062 0.861 0.051) 2.235 3.576 ( 7.790 -6.145 -0.150) 9.923 3.640 ( 3.020 -0.594 0.233) 3.086 4.289 ( 5.114 -3.406 0.100) 6.145 4.322 ( 2.444 -0.859 0.088) 2.592 5.572 ( 7.610 -3.831 0.585) 8.539 7.331 ( -3.056 0.330 -0.309) 3.089 7.365 ( -1.491 2.191 -0.206) 2.658 7.887 ( -0.032 0.403 -0.146) 0.430 8.047 ( -0.194 -0.316 1.189) 1.245 8.452 ( -4.994 0.441 0.066) 5.014 8.497 ( -4.267 4.569 -0.394) 6.264 8.740 ( -1.408 1.088 -0.367) 1.817 9.008 ( 2.057 -1.541 2.491) 3.579 9.145 ( 0.176 1.007 -0.150) 1.034 9.218 ( -1.906 0.150 -0.951) 2.135 9.891 ( -1.763 0.695 1.825) 2.631 10.767 ( 2.858 -1.596 -0.658) 3.339 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -9.294 5.244 4.038) 11.410 0.987 ( 0.063 -2.353 7.643) 7.998 1.344 ( -16.794 9.997 -1.751) 19.622 1.636 ( -1.238 -1.497 -3.941) 4.394 1.860 ( 0.847 4.381 2.759) 5.246 2.047 ( 2.970 0.202 -3.170) 4.348 2.060 ( -0.094 0.074 4.421) 4.423 2.219 ( -1.351 1.607 -3.918) 4.445 2.462 ( -0.705 -2.634 0.131) 2.730 2.773 ( -4.590 2.318 0.032) 5.142 3.313 ( 14.518 -10.306 -0.195) 17.805 3.568 ( 4.439 -1.892 0.208) 4.830 4.126 ( 9.637 -5.479 0.065) 11.086 4.240 ( 5.935 -3.207 0.054) 6.746 5.372 ( 10.957 -5.675 0.415) 12.347 7.379 ( -2.576 0.763 -0.218) 2.695 7.442 ( -4.665 3.190 -0.299) 5.660 7.891 ( 0.170 0.787 0.045) 0.806 8.052 ( -0.199 -0.777 0.683) 1.054 8.539 ( -4.852 1.760 -0.161) 5.164 8.667 ( -9.310 5.864 0.060) 11.003 8.780 ( -2.058 1.512 -0.189) 2.560 8.994 ( 0.923 -0.891 2.518) 2.826 9.148 ( 0.057 0.186 -0.028) 0.196 9.231 ( -0.722 0.146 -1.411) 1.592 9.956 ( -3.609 1.363 1.323) 4.078 10.679 ( 4.711 -2.540 -0.835) 5.417 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -7.913 -0.736 1.738) 8.135 1.121 ( -10.223 5.697 1.494) 11.798 1.593 ( -1.194 -0.067 -0.056) 1.197 1.663 ( -9.090 4.807 -2.211) 10.518 1.888 ( 2.493 3.139 2.107) 4.529 1.945 ( 5.368 -1.763 -2.177) 6.055 2.140 ( -3.075 0.531 1.324) 3.389 2.290 ( -6.414 4.743 -1.215) 8.070 2.490 ( -6.600 0.937 0.437) 6.681 2.901 ( -7.233 4.441 0.029) 8.488 2.929 ( 18.654 -12.814 -0.151) 22.632 3.475 ( 4.413 -2.310 0.064) 4.981 3.888 ( 12.572 -6.274 0.031) 14.051 4.052 ( 11.835 -7.154 0.027) 13.830 5.155 ( 8.970 -4.851 0.187) 10.199 7.428 ( -2.307 1.242 -0.101) 2.622 7.554 ( -5.607 2.859 -0.233) 6.298 7.893 ( 0.922 0.911 0.139) 1.304 8.048 ( -0.072 -1.126 0.223) 1.150 8.635 ( -4.504 2.264 -0.056) 5.042 8.823 ( -1.625 1.260 -0.004) 2.056 8.876 ( -9.363 5.065 0.072) 10.645 8.991 ( 0.464 -0.638 1.158) 1.402 9.145 ( 0.134 -0.489 0.016) 0.508 9.226 ( 0.320 0.025 -0.791) 0.853 10.051 ( -5.149 1.991 0.677) 5.562 10.563 ( 5.405 -2.857 -0.618) 6.145 ======================= Grid point 38 (27/171) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -15.360 2.916 0.000) 15.634 1.325 ( -7.491 3.644 0.000) 8.330 1.594 ( -0.899 -0.478 0.000) 1.019 1.794 ( -4.085 1.741 0.000) 4.441 1.805 ( 5.866 -2.832 -0.000) 6.513 1.902 ( 1.688 3.361 -0.000) 3.761 2.179 ( -1.812 0.195 0.000) 1.822 2.357 ( -0.583 -0.064 0.000) 0.586 2.491 ( 19.063 -12.615 -0.000) 22.859 2.798 ( -21.665 9.144 0.000) 23.516 3.091 ( -9.272 7.157 0.000) 11.713 3.396 ( 2.660 -1.887 -0.000) 3.261 3.615 ( 14.675 -4.452 -0.000) 15.335 3.722 ( 16.942 -12.805 -0.000) 21.237 5.012 ( 4.379 -2.681 -0.000) 5.135 7.470 ( -1.556 0.985 0.000) 1.842 7.665 ( -5.104 1.987 0.000) 5.477 7.875 ( 2.165 0.247 -0.000) 2.179 8.039 ( 0.085 -0.845 -0.000) 0.849 8.715 ( -2.850 1.601 0.000) 3.269 8.850 ( -0.498 0.722 0.000) 0.877 8.982 ( 0.550 -0.665 -0.000) 0.863 9.050 ( -6.607 3.430 0.000) 7.444 9.135 ( 0.375 -0.812 -0.000) 0.894 9.210 ( 0.994 -0.417 -0.000) 1.078 10.155 ( -4.416 1.496 0.000) 4.662 10.456 ( 3.857 -2.057 -0.000) 4.372 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -0.000 -0.000 4.577) 4.577 0.646 ( -0.000 -0.000 5.615) 5.615 1.231 ( -0.000 -0.000 9.712) 9.712 1.589 ( 0.000 0.000 -3.923) 3.923 1.814 ( -0.000 -0.000 2.506) 2.506 2.059 ( 0.000 0.000 -3.468) 3.468 2.107 ( 0.000 0.000 -2.895) 2.895 2.238 ( -0.000 -0.000 1.004) 1.004 2.489 ( 0.000 0.000 -2.057) 2.057 2.685 ( -0.000 -0.000 0.051) 0.051 3.668 ( 0.000 0.000 -0.664) 0.664 3.671 ( -0.000 -0.000 0.717) 0.717 4.342 ( -0.000 -0.000 0.064) 0.064 4.351 ( -0.000 -0.000 0.074) 0.074 5.660 ( -0.000 -0.000 0.427) 0.427 7.298 ( 0.000 0.000 -0.169) 0.169 7.344 ( 0.000 0.000 -0.113) 0.113 7.883 ( 0.000 0.000 -0.156) 0.156 8.055 ( -0.000 -0.000 0.962) 0.962 8.398 ( -0.000 -0.000 0.142) 0.142 8.445 ( 0.000 0.000 -0.458) 0.458 8.720 ( 0.000 0.000 -0.256) 0.256 9.046 ( -0.000 -0.000 0.335) 0.335 9.138 ( 0.000 0.000 -0.043) 0.043 9.200 ( -0.000 -0.000 0.350) 0.350 9.885 ( -0.000 -0.000 1.333) 1.333 10.796 ( 0.000 0.000 -0.367) 0.367 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -5.710 3.643 2.354) 7.171 0.891 ( -16.498 9.932 3.525) 19.577 1.195 ( 6.189 -3.893 1.930) 7.562 1.602 ( -3.002 -1.256 -1.445) 3.561 1.846 ( 0.352 3.795 1.821) 4.224 2.038 ( 0.418 0.739 -1.871) 2.055 2.087 ( 0.228 0.050 -0.633) 0.675 2.215 ( 2.822 -0.095 -0.212) 2.831 2.472 ( -0.742 -2.134 -0.758) 2.383 2.706 ( -2.041 0.879 0.020) 2.222 3.573 ( 8.165 -5.481 -0.145) 9.835 3.644 ( 2.491 -1.538 0.169) 2.932 4.290 ( 5.123 -3.396 0.037) 6.147 4.323 ( 2.434 -0.884 0.034) 2.590 5.578 ( 7.537 -3.959 0.223) 8.517 7.328 ( -2.988 0.363 -0.119) 3.012 7.363 ( -1.439 2.137 -0.076) 2.578 7.885 ( -0.128 0.401 -0.055) 0.425 8.060 ( -0.113 -0.410 0.473) 0.636 8.452 ( -4.628 0.426 -0.003) 4.648 8.493 ( -4.702 4.635 -0.140) 6.604 8.736 ( -1.431 1.108 -0.116) 1.813 9.034 ( 0.990 -0.841 0.859) 1.558 9.143 ( -0.157 0.549 -0.130) 0.586 9.209 ( -0.791 0.018 -0.290) 0.843 9.910 ( -1.835 0.567 0.701) 2.044 10.760 ( 3.036 -1.680 -0.248) 3.479 ======================= Grid point 48 (30/171) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -9.194 5.349 0.000) 10.637 1.054 ( 3.513 -4.846 -0.000) 5.985 1.321 ( -19.064 11.236 0.000) 22.128 1.606 ( -0.540 -2.040 -0.000) 2.111 1.885 ( 1.587 5.141 0.000) 5.381 2.018 ( 2.410 -0.174 -0.000) 2.416 2.106 ( -2.206 0.084 0.000) 2.208 2.179 ( 0.102 1.708 0.000) 1.711 2.462 ( -1.103 -2.398 0.000) 2.639 2.773 ( -4.572 2.343 0.000) 5.137 3.311 ( 14.536 -10.270 -0.000) 17.798 3.570 ( 4.289 -2.209 -0.000) 4.824 4.126 ( 9.646 -5.469 -0.000) 11.088 4.241 ( 5.923 -3.237 -0.000) 6.750 5.375 ( 10.905 -5.782 -0.000) 12.343 7.378 ( -2.597 0.742 0.000) 2.701 7.440 ( -4.578 3.210 0.000) 5.591 7.892 ( 0.084 0.801 0.000) 0.805 8.058 ( -0.126 -0.860 -0.000) 0.869 8.537 ( -4.791 1.868 0.000) 5.143 8.667 ( -9.461 5.792 0.000) 11.093 8.778 ( -2.053 1.547 0.000) 2.571 9.014 ( 0.863 -0.886 -0.000) 1.237 9.148 ( -0.083 0.103 0.000) 0.132 9.219 ( -0.529 0.172 0.000) 0.556 9.966 ( -3.673 1.242 0.000) 3.878 10.672 ( 4.870 -2.619 -0.000) 5.530 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -0.000 -0.000 0.000) 0.000 0.690 ( -0.000 -0.000 0.000) 0.000 1.307 ( -0.000 -0.000 0.000) 0.000 1.558 ( -0.000 -0.000 0.000) 0.000 1.837 ( -0.000 -0.000 0.000) 0.000 2.029 ( -0.000 -0.000 0.000) 0.000 2.085 ( -0.000 -0.000 0.000) 0.000 2.245 ( -0.000 -0.000 0.000) 0.000 2.472 ( -0.000 -0.000 0.000) 0.000 2.686 ( -0.000 -0.000 0.000) 0.000 3.662 ( -0.000 -0.000 0.000) 0.000 3.676 ( -0.000 -0.000 0.000) 0.000 4.343 ( -0.000 -0.000 0.000) 0.000 4.352 ( -0.000 -0.000 0.000) 0.000 5.663 ( -0.000 -0.000 0.000) 0.000 7.297 ( -0.000 -0.000 0.000) 0.000 7.343 ( -0.000 -0.000 0.000) 0.000 7.882 ( -0.000 -0.000 0.000) 0.000 8.063 ( -0.000 -0.000 0.000) 0.000 8.399 ( -0.000 -0.000 0.000) 0.000 8.441 ( -0.000 -0.000 0.000) 0.000 8.718 ( -0.000 -0.000 0.000) 0.000 9.049 ( -0.000 -0.000 0.000) 0.000 9.137 ( -0.000 -0.000 0.000) 0.000 9.202 ( -0.000 -0.000 0.000) 0.000 9.896 ( -0.000 -0.000 0.000) 0.000 10.793 ( -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: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( -0.000 15.563 0.000) 15.563 0.297 ( -0.000 15.533 0.000) 15.533 0.697 ( -0.000 36.112 0.000) 36.112 1.702 ( 0.000 -1.051 -0.000) 1.051 1.864 ( 0.000 -1.058 -0.000) 1.058 2.013 ( 0.000 -1.303 -0.000) 1.303 2.121 ( 0.000 -0.008 -0.000) 0.008 2.384 ( 0.000 -0.543 -0.000) 0.543 2.611 ( 0.000 -1.843 -0.000) 1.843 2.698 ( -0.000 1.868 0.000) 1.868 3.528 ( 0.000 -8.571 -0.000) 8.571 3.689 ( 0.000 -2.817 -0.000) 2.817 4.280 ( 0.000 -5.936 -0.000) 5.936 4.323 ( 0.000 -2.494 -0.000) 2.494 5.563 ( 0.000 -6.578 -0.000) 6.578 7.326 ( -0.000 1.499 0.000) 1.499 7.386 ( -0.000 3.265 0.000) 3.265 7.903 ( -0.000 0.807 0.000) 0.807 7.990 ( 0.000 -0.007 -0.000) 0.007 8.419 ( -0.000 3.200 0.000) 3.200 8.540 ( -0.000 6.827 0.000) 6.827 8.720 ( -0.000 0.060 0.000) 0.060 8.782 ( -0.000 2.761 0.000) 2.761 9.173 ( 0.000 -0.078 -0.000) 0.078 9.308 ( -0.000 0.040 0.000) 0.040 9.812 ( -0.000 2.450 0.000) 2.450 10.804 ( 0.000 -1.989 -0.000) 1.989 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -5.669 15.366 3.682) 16.787 0.538 ( -8.995 13.550 2.184) 16.410 1.154 ( -13.161 29.821 1.838) 32.648 1.699 ( -0.427 -1.195 1.050) 1.647 1.886 ( -4.287 -3.603 -2.597) 6.173 1.934 ( 6.388 -1.105 1.767) 6.720 2.174 ( -3.753 -0.944 0.764) 3.945 2.365 ( 2.006 -1.075 0.543) 2.340 2.520 ( 4.577 -0.408 -2.992) 5.483 2.748 ( -2.655 4.262 -0.141) 5.024 3.374 ( 6.815 -12.817 0.098) 14.516 3.625 ( 3.635 -3.002 -0.235) 4.720 4.158 ( 5.673 -9.592 0.038) 11.144 4.287 ( 1.674 -2.804 -0.009) 3.266 5.429 ( 7.052 -8.418 0.066) 10.981 7.366 ( -2.555 1.872 -0.105) 3.170 7.437 ( -1.773 4.459 0.036) 4.799 7.908 ( 0.486 1.010 -0.059) 1.123 7.995 ( -0.466 -0.047 0.324) 0.569 8.492 ( -4.075 3.927 0.020) 5.659 8.642 ( -3.438 8.649 -0.144) 9.308 8.740 ( -1.029 0.144 1.851) 2.123 8.821 ( -0.989 3.019 0.504) 3.216 9.161 ( 1.024 0.534 0.112) 1.160 9.310 ( -0.468 -0.354 -0.907) 1.080 9.855 ( -1.416 3.609 0.507) 3.910 10.765 ( 1.632 -2.886 -0.565) 3.364 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -10.082 15.034 1.392) 18.155 0.843 ( -10.573 12.907 2.753) 16.911 1.606 ( -8.982 14.427 -1.381) 17.050 1.730 ( -3.064 3.398 4.565) 6.463 1.839 ( 4.083 -0.981 0.584) 4.239 1.906 ( -4.263 -0.450 -2.123) 4.783 2.198 ( 0.211 -0.434 -1.296) 1.383 2.307 ( 2.818 -2.573 1.339) 4.044 2.462 ( -1.415 -1.040 -2.654) 3.182 2.865 ( -5.103 7.781 -0.325) 9.310 3.076 ( 13.160 -14.884 -0.282) 19.870 3.526 ( 4.513 -3.175 -0.222) 5.523 3.930 ( 8.536 -13.688 0.056) 16.132 4.200 ( 7.074 -1.560 -0.067) 7.244 5.210 ( 8.833 -9.096 0.123) 12.680 7.427 ( -2.325 2.500 -0.215) 3.421 7.527 ( -4.192 4.054 -0.148) 5.834 7.903 ( 1.163 0.733 0.075) 1.377 8.007 ( -0.648 -0.005 0.385) 0.754 8.604 ( -4.409 4.492 -0.063) 6.295 8.777 ( -1.696 0.380 1.544) 2.325 8.799 ( -5.882 7.400 0.026) 9.453 8.873 ( -1.397 2.676 0.653) 3.088 9.153 ( 0.758 0.399 0.057) 0.859 9.301 ( 0.127 -0.695 -0.887) 1.135 9.934 ( -2.961 4.506 0.914) 5.469 10.688 ( 3.195 -3.610 -1.240) 4.978 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -11.241 13.892 -0.575) 17.879 1.163 ( -12.444 12.579 1.236) 17.737 1.669 ( 0.967 0.870 0.984) 1.631 1.779 ( 0.975 -0.413 -1.549) 1.877 1.804 ( 2.056 -0.627 0.589) 2.228 2.010 ( 2.206 2.049 -0.221) 3.019 2.197 ( -2.823 1.677 -1.022) 3.439 2.294 ( -2.237 -0.594 1.076) 2.553 2.541 ( -12.732 1.086 -1.046) 12.821 2.686 ( 16.149 -14.287 -0.751) 21.575 3.061 ( -7.361 12.318 -0.213) 14.351 3.426 ( 3.476 -3.329 -0.254) 4.820 3.636 ( 9.503 -17.188 0.015) 19.640 4.013 ( 15.915 1.067 -0.107) 15.951 5.010 ( 4.450 -9.145 0.085) 10.170 7.479 ( -1.049 2.858 -0.198) 3.051 7.634 ( -5.068 2.552 -0.527) 5.699 7.883 ( 1.974 -0.211 0.371) 2.020 8.021 ( -0.500 0.389 0.266) 0.687 8.706 ( -2.656 4.570 -0.186) 5.289 8.819 ( -1.631 0.338 1.231) 2.072 8.921 ( -1.149 1.993 0.499) 2.354 8.958 ( -6.154 4.582 0.384) 7.682 9.144 ( 0.623 0.132 -0.133) 0.651 9.277 ( 1.038 -1.111 -0.911) 1.772 10.046 ( -4.264 4.779 1.202) 6.516 10.578 ( 4.416 -4.029 -1.821) 6.250 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -4.405 10.506 -0.229) 11.395 1.477 ( -11.776 9.053 -2.637) 15.085 1.657 ( 4.086 0.449 2.303) 4.712 1.734 ( 1.084 -1.246 -1.664) 2.345 1.774 ( -0.065 -0.074 -0.646) 0.654 1.945 ( 3.577 0.128 0.524) 3.617 2.209 ( 1.143 -1.983 0.684) 2.389 2.303 ( 7.703 -6.417 -1.324) 10.113 2.338 ( 1.372 -2.374 -0.249) 2.753 2.869 ( -23.168 0.164 -0.050) 23.168 3.288 ( 4.585 -8.138 -0.371) 9.349 3.327 ( -0.450 0.979 0.003) 1.077 3.360 ( 0.206 -1.573 -0.290) 1.613 3.736 ( 20.317 7.169 -0.067) 21.545 4.905 ( -1.641 -8.377 -0.166) 8.538 7.508 ( 0.515 2.410 -0.050) 2.465 7.721 ( -3.915 1.010 -0.744) 4.111 7.841 ( 2.456 -1.579 0.492) 2.961 8.035 ( -0.165 1.045 0.147) 1.068 8.765 ( 0.107 3.551 -0.149) 3.556 8.851 ( -0.825 0.386 0.838) 1.238 8.950 ( -0.367 0.913 -0.055) 0.985 9.083 ( -4.529 2.233 0.867) 5.123 9.133 ( 0.520 -0.132 -0.379) 0.657 9.232 ( 1.953 -1.500 -0.886) 2.617 10.164 ( -3.378 3.687 0.852) 5.072 10.457 ( 3.542 -3.477 -1.540) 5.197 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 10.422 0.819 -2.864) 10.839 1.502 ( 13.262 -3.040 -0.523) 13.617 1.629 ( -2.453 1.149 -1.866) 3.290 1.744 ( -0.267 0.314 1.278) 1.343 1.809 ( -0.675 3.802 -0.343) 3.876 1.880 ( -0.579 -1.722 0.738) 1.961 2.220 ( -1.953 0.276 0.065) 1.973 2.298 ( -8.867 3.552 0.950) 9.599 2.354 ( -4.945 1.412 -0.791) 5.203 2.914 ( 12.692 -19.465 -0.576) 23.245 3.248 ( -19.383 -0.519 -0.287) 19.392 3.297 ( 11.706 0.226 0.238) 11.711 3.343 ( -1.761 -1.949 -0.674) 2.712 3.752 ( -4.392 20.090 -0.072) 20.565 4.897 ( -6.381 -6.367 -0.548) 9.030 7.506 ( 2.047 1.484 0.150) 2.533 7.735 ( 2.879 -1.463 0.297) 3.243 7.814 ( -2.026 -1.099 -0.519) 2.363 8.046 ( 0.300 1.266 -0.054) 1.302 8.766 ( 2.945 2.110 0.110) 3.624 8.862 ( 0.483 0.204 0.464) 0.700 8.948 ( 0.722 -0.098 -0.898) 1.156 9.095 ( 3.745 -1.924 -0.655) 4.261 9.141 ( 0.024 0.806 -0.050) 0.808 9.211 ( -2.241 -0.302 0.529) 2.322 10.170 ( 4.317 -0.942 -1.896) 4.809 10.442 ( -4.140 0.603 1.337) 4.392 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 15.157 -1.968 -3.621) 15.707 1.173 ( 17.621 -5.293 -3.426) 18.715 1.638 ( 0.432 -0.599 -0.251) 0.780 1.770 ( -1.171 0.492 1.124) 1.696 1.803 ( 0.444 -0.780 -0.483) 1.020 1.981 ( -2.781 5.024 2.104) 6.116 2.207 ( 5.123 -1.377 1.328) 5.468 2.325 ( -0.311 -1.449 -1.222) 1.921 2.541 ( 9.827 -11.338 -0.549) 15.014 2.700 ( -21.637 7.656 -0.125) 22.952 3.048 ( 13.588 -0.080 0.405) 13.594 3.380 ( -4.954 -1.328 -0.968) 5.219 3.608 ( -21.659 -0.798 -0.195) 21.674 4.018 ( -6.582 13.444 -0.046) 14.969 4.984 ( -10.644 -2.688 -0.861) 11.012 7.476 ( 3.013 0.565 0.272) 3.077 7.646 ( 5.499 -2.360 0.561) 6.010 7.842 ( -2.363 -0.571 -0.570) 2.497 8.046 ( 0.779 0.848 -0.402) 1.219 8.716 ( 5.095 0.967 0.339) 5.197 8.848 ( 1.657 0.016 0.297) 1.684 8.912 ( 1.888 -0.733 -1.782) 2.697 8.967 ( 7.714 -3.095 -0.706) 8.342 9.140 ( 0.071 0.248 -0.590) 0.644 9.261 ( -2.233 0.096 1.221) 2.546 10.046 ( 5.888 -1.966 -2.561) 6.715 10.558 ( -5.965 1.487 2.094) 6.495 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 16.090 -1.988 -5.770) 17.209 0.835 ( 14.844 -3.465 -5.265) 16.127 1.526 ( 16.337 -4.309 0.772) 16.913 1.769 ( 1.549 -0.273 -1.299) 2.040 1.795 ( -3.316 -0.121 -3.992) 5.191 1.990 ( 5.922 2.423 5.420) 8.386 2.140 ( -1.529 -0.677 2.839) 3.295 2.329 ( -2.800 -1.389 -1.583) 3.503 2.423 ( 0.851 -1.983 0.080) 2.159 2.870 ( 8.876 -0.146 0.404) 8.886 3.114 ( -20.709 5.491 0.121) 21.425 3.452 ( -5.969 -1.089 -1.042) 6.157 3.922 ( -17.528 0.267 -0.101) 17.530 4.196 ( -4.745 5.066 -0.035) 6.941 5.168 ( -13.638 0.525 -0.868) 13.676 7.430 ( 3.042 0.034 0.253) 3.052 7.533 ( 6.386 -1.599 0.432) 6.598 7.866 ( -1.519 -0.331 -0.253) 1.575 8.032 ( 1.013 0.286 -0.679) 1.253 8.636 ( 5.867 0.595 0.415) 5.912 8.773 ( 9.740 -3.063 -0.181) 10.212 8.823 ( 2.845 0.299 -0.078) 2.862 8.861 ( 1.972 -0.924 -2.716) 3.481 9.136 ( 0.015 -0.157 -0.601) 0.621 9.297 ( -1.016 0.104 1.234) 1.602 9.926 ( 4.640 -1.158 -2.181) 5.256 10.675 ( -5.103 0.892 1.711) 5.455 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 12.228 0.000 -9.934) 15.755 0.540 ( 14.609 0.000 -5.215) 15.512 1.086 ( 29.556 0.000 -3.091) 29.717 1.742 ( 1.254 0.000 -0.604) 1.392 1.849 ( -7.103 -0.000 -4.077) 8.189 2.028 ( 0.986 -0.000 10.509) 10.555 2.184 ( -1.672 -0.000 1.642) 2.343 2.339 ( -2.487 0.000 -5.930) 6.430 2.407 ( 1.037 0.000 1.506) 1.828 2.760 ( 5.132 0.000 0.247) 5.138 3.445 ( -15.906 -0.000 0.415) 15.912 3.527 ( -5.053 -0.000 -0.884) 5.129 4.162 ( -11.727 -0.000 -0.063) 11.727 4.280 ( -3.318 -0.000 -0.031) 3.319 5.389 ( -12.977 -0.000 -0.575) 12.989 7.389 ( 2.201 0.000 0.169) 2.207 7.425 ( 6.078 0.000 0.188) 6.081 7.882 ( -0.837 -0.000 -0.014) 0.837 8.012 ( 0.890 0.000 -0.670) 1.114 8.555 ( 4.848 0.000 0.368) 4.861 8.584 ( 10.289 0.000 -0.233) 10.292 8.787 ( 2.315 0.000 0.499) 2.368 8.805 ( 0.871 0.000 -4.346) 4.433 9.130 ( 0.039 0.000 -0.446) 0.448 9.315 ( 0.003 -0.000 1.430) 1.430 9.845 ( 2.945 0.000 -1.451) 3.283 10.759 ( -3.514 -0.000 1.039) 3.664 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 16.198 0.000 -0.000) 16.198 0.498 ( 15.701 0.000 -0.000) 15.701 1.063 ( 31.383 0.000 -0.000) 31.383 1.738 ( 1.376 0.000 -0.000) 1.376 1.814 ( -7.058 -0.000 0.000) 7.058 2.157 ( -3.429 -0.000 0.000) 3.429 2.197 ( -1.699 -0.000 0.000) 1.699 2.240 ( 2.039 0.000 -0.000) 2.039 2.426 ( 0.574 0.000 -0.000) 0.574 2.762 ( 5.219 0.000 -0.000) 5.219 3.448 ( -16.021 -0.000 0.000) 16.021 3.520 ( -5.050 -0.000 0.000) 5.050 4.161 ( -11.721 -0.000 0.000) 11.721 4.280 ( -3.318 -0.000 0.000) 3.318 5.384 ( -13.034 -0.000 0.000) 13.034 7.390 ( 2.206 0.000 -0.000) 2.206 7.426 ( 6.152 0.000 -0.000) 6.152 7.882 ( -0.911 -0.000 0.000) 0.911 8.006 ( 0.955 0.000 -0.000) 0.955 8.558 ( 4.864 0.000 -0.000) 4.864 8.582 ( 10.266 0.000 -0.000) 10.266 8.768 ( 2.551 0.000 -0.000) 2.551 8.792 ( 2.290 0.000 -0.000) 2.290 9.126 ( -0.003 -0.000 0.000) 0.003 9.327 ( -0.570 -0.000 0.000) 0.570 9.834 ( 2.860 0.000 -0.000) 2.860 10.768 ( -3.392 -0.000 0.000) 3.392 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( -0.000 13.014 6.525) 14.558 0.388 ( -0.000 10.094 12.032) 15.705 0.755 ( -0.000 32.221 7.342) 33.047 1.716 ( -0.000 -0.771 1.585) 1.762 1.830 ( 0.000 -0.872 -4.016) 4.109 2.060 ( -0.000 -4.657 4.065) 6.182 2.140 ( -0.000 -0.138 2.230) 2.234 2.391 ( -0.000 -0.570 0.380) 0.685 2.539 ( 0.000 -0.278 -7.533) 7.538 2.699 ( -0.000 1.865 0.042) 1.866 3.534 ( 0.000 -8.864 0.714) 8.892 3.684 ( 0.000 -2.854 -0.704) 2.939 4.281 ( 0.000 -5.935 0.065) 5.936 4.324 ( 0.000 -2.485 0.034) 2.485 5.565 ( 0.000 -6.691 0.196) 6.694 7.325 ( -0.000 1.506 -0.167) 1.515 7.387 ( -0.000 3.299 0.018) 3.299 7.901 ( 0.000 0.799 -0.174) 0.818 7.996 ( -0.000 -0.066 0.754) 0.757 8.420 ( -0.000 3.196 0.146) 3.199 8.537 ( -0.000 6.795 -0.354) 6.805 8.756 ( -0.000 0.034 0.989) 0.989 8.818 ( -0.000 -2.069 6.050) 6.394 9.176 ( -0.000 -0.086 0.346) 0.357 9.276 ( 0.000 2.440 -3.412) 4.195 9.821 ( -0.000 2.331 1.093) 2.575 10.797 ( 0.000 -2.138 -0.724) 2.257 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -4.725 11.008 7.393) 14.077 0.603 ( -6.871 10.866 6.993) 14.635 1.202 ( -11.896 26.840 4.040) 29.635 1.728 ( -0.543 -0.237 2.613) 2.679 1.821 ( -3.373 -2.388 -5.418) 6.814 1.977 ( 6.430 -1.935 3.421) 7.536 2.186 ( -1.672 -0.371 0.385) 1.756 2.381 ( 0.704 -3.048 1.328) 3.398 2.439 ( 2.610 0.767 -7.080) 7.585 2.745 ( -2.599 3.956 -0.130) 4.735 3.377 ( 7.135 -13.253 0.150) 15.053 3.618 ( 3.197 -3.206 -0.662) 4.575 4.159 ( 5.666 -9.608 0.099) 11.155 4.287 ( 1.702 -2.849 -0.003) 3.319 5.431 ( 6.897 -8.709 0.191) 11.111 7.363 ( -2.490 1.886 -0.277) 3.136 7.437 ( -1.698 4.469 -0.040) 4.781 7.906 ( 0.359 1.009 -0.154) 1.082 8.004 ( -0.382 -0.220 0.851) 0.958 8.493 ( -3.956 3.931 0.090) 5.577 8.638 ( -3.636 8.585 -0.345) 9.330 8.772 ( -0.665 0.420 1.312) 1.530 8.848 ( -0.258 1.026 3.400) 3.561 9.164 ( 1.152 0.529 0.233) 1.289 9.285 ( -1.159 0.289 -2.086) 2.404 9.869 ( -1.523 3.288 1.358) 3.870 10.750 ( 1.777 -3.087 -1.266) 3.780 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -7.386 11.006 3.481) 13.704 0.897 ( -10.022 11.391 4.276) 15.763 1.589 ( -6.801 11.276 -0.959) 13.203 1.789 ( -0.274 -1.789 -1.699) 2.482 1.817 ( -4.356 5.480 1.537) 7.167 1.919 ( 0.397 0.814 3.623) 3.735 2.167 ( 2.785 0.777 -2.707) 3.961 2.322 ( 0.494 -4.280 -0.013) 4.309 2.417 ( -2.728 0.243 -2.522) 3.723 2.860 ( -5.227 7.346 -0.284) 9.020 3.069 ( 13.152 -15.402 -0.591) 20.262 3.521 ( 4.096 -3.597 -0.458) 5.470 3.931 ( 8.540 -13.741 0.092) 16.179 4.199 ( 7.078 -1.655 -0.087) 7.269 5.212 ( 8.653 -9.444 0.195) 12.810 7.423 ( -2.362 2.517 -0.362) 3.471 7.524 ( -3.902 4.082 -0.300) 5.655 7.905 ( 0.895 0.756 0.131) 1.179 8.015 ( -0.514 -0.291 0.636) 0.868 8.603 ( -4.265 4.527 -0.050) 6.220 8.796 ( -5.127 5.263 0.314) 7.354 8.805 ( -2.357 2.769 0.922) 3.751 8.893 ( -0.972 1.642 2.117) 2.850 9.154 ( 0.847 0.274 0.022) 0.891 9.282 ( -0.252 -0.532 -1.563) 1.670 9.953 ( -3.202 4.001 1.493) 5.338 10.664 ( 3.388 -3.764 -1.895) 5.407 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -11.739 11.386 -0.706) 16.368 1.192 ( -9.814 10.831 2.524) 14.832 1.675 ( -0.644 2.697 -0.826) 2.893 1.748 ( 0.569 -1.269 -1.648) 2.157 1.824 ( 3.798 -1.114 1.745) 4.326 2.005 ( 3.584 1.359 -0.583) 3.877 2.178 ( -4.248 2.979 -1.409) 5.376 2.310 ( -1.960 -2.157 0.862) 3.040 2.529 ( -13.579 2.418 -0.347) 13.797 2.671 ( 15.751 -15.019 -1.124) 21.793 3.058 ( -7.579 12.121 -0.176) 14.296 3.421 ( 3.188 -3.788 -0.442) 4.971 3.637 ( 9.540 -17.287 0.033) 19.745 4.011 ( 15.826 0.962 -0.106) 15.856 5.012 ( 4.410 -9.500 0.100) 10.474 7.476 ( -1.162 2.929 -0.268) 3.163 7.624 ( -4.776 2.600 -0.673) 5.479 7.890 ( 1.712 -0.322 0.474) 1.805 8.025 ( -0.401 0.205 0.341) 0.565 8.704 ( -2.597 4.585 -0.073) 5.270 8.837 ( -1.151 0.632 0.992) 1.646 8.934 ( -0.776 1.331 1.201) 1.954 8.965 ( -6.529 4.513 0.438) 7.950 9.142 ( 0.681 -0.083 -0.179) 0.709 9.259 ( 0.809 -1.052 -1.393) 1.924 10.067 ( -4.484 4.166 1.462) 6.293 10.546 ( 4.390 -4.031 -2.194) 6.351 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -5.214 8.771 -0.085) 10.204 1.439 ( -9.492 7.227 -2.096) 12.113 1.653 ( 3.387 -0.402 -2.644) 4.316 1.750 ( 0.056 0.352 3.577) 3.595 1.766 ( 0.538 -0.069 -0.319) 0.629 1.949 ( 3.331 0.211 -0.052) 3.338 2.210 ( 0.004 -1.291 -0.655) 1.447 2.282 ( 8.121 -7.052 -1.234) 10.826 2.336 ( 0.523 -2.749 0.007) 2.798 2.869 ( -22.916 0.257 0.099) 22.917 3.283 ( 4.600 -8.584 -0.247) 9.742 3.328 ( -0.156 0.033 0.112) 0.195 3.354 ( -0.310 -0.997 -0.512) 1.163 3.735 ( 20.251 7.103 -0.023) 21.460 4.902 ( -1.546 -8.756 -0.167) 8.893 7.507 ( 0.387 2.545 -0.068) 2.575 7.709 ( -4.010 1.096 -0.769) 4.228 7.848 ( 2.456 -1.897 0.473) 3.139 8.037 ( -0.028 1.035 0.195) 1.053 8.764 ( 0.053 3.610 0.111) 3.612 8.862 ( -0.348 0.695 0.522) 0.937 8.953 ( 0.132 0.171 0.410) 0.463 9.096 ( -4.565 2.286 0.652) 5.147 9.128 ( 0.543 -0.269 -0.291) 0.673 9.216 ( 1.462 -1.511 -1.164) 2.403 10.175 ( -2.384 2.534 0.492) 3.513 10.435 ( 2.145 -2.797 -1.191) 3.721 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 11.353 -0.976 -1.731) 11.526 1.487 ( 12.202 -4.207 -1.304) 12.973 1.597 ( -2.372 0.603 -2.029) 3.179 1.771 ( -0.393 0.738 1.982) 2.151 1.806 ( 0.663 1.410 -0.142) 1.565 1.894 ( -2.980 1.588 1.057) 3.539 2.211 ( -2.713 0.862 -1.127) 3.062 2.314 ( -8.331 3.069 0.943) 8.928 2.340 ( -4.787 1.233 -0.745) 4.999 2.908 ( 12.922 -19.851 -0.217) 23.687 3.244 ( -19.851 -0.657 -0.225) 19.863 3.301 ( 11.646 0.183 0.312) 11.651 3.333 ( -1.549 -2.336 -0.697) 2.888 3.752 ( -4.398 20.080 -0.026) 20.556 4.889 ( -6.272 -6.764 -0.446) 9.235 7.509 ( 1.957 1.619 0.116) 2.542 7.738 ( 1.805 -1.334 0.086) 2.246 7.807 ( -1.210 -1.408 -0.329) 1.886 8.045 ( 0.572 1.238 0.013) 1.364 8.770 ( 2.908 2.214 0.293) 3.667 8.866 ( 0.885 0.635 0.117) 1.095 8.939 ( 1.269 -0.789 -0.231) 1.512 9.084 ( 3.957 -1.917 -0.665) 4.447 9.138 ( 0.444 0.136 -0.383) 0.602 9.220 ( -3.305 0.189 0.485) 3.346 10.141 ( 5.095 -1.914 -1.745) 5.715 10.463 ( -5.274 1.209 1.274) 5.559 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 14.997 -3.283 -1.832) 15.461 1.126 ( 19.598 -6.987 -2.459) 20.951 1.633 ( -2.340 0.329 -0.356) 2.390 1.783 ( 0.712 -0.080 0.395) 0.818 1.801 ( 1.782 -0.846 0.278) 1.992 2.007 ( -2.236 5.388 1.245) 5.965 2.223 ( 2.142 -0.494 0.641) 2.289 2.300 ( 2.121 -1.408 -1.607) 3.010 2.544 ( 8.357 -12.491 0.542) 15.038 2.698 ( -21.845 7.648 -0.192) 23.146 3.053 ( 13.683 0.223 0.290) 13.688 3.368 ( -5.030 -1.778 -0.639) 5.374 3.605 ( -21.759 -0.863 -0.121) 21.777 4.017 ( -6.562 13.486 -0.012) 14.998 4.973 ( -10.615 -3.011 -0.538) 11.047 7.479 ( 2.989 0.630 0.170) 3.059 7.652 ( 5.360 -2.511 0.301) 5.926 7.835 ( -2.482 -0.475 -0.350) 2.552 8.041 ( 1.080 0.771 -0.218) 1.344 8.721 ( 5.113 1.100 0.289) 5.238 8.848 ( 2.038 0.732 -0.246) 2.179 8.896 ( 2.331 -1.496 -0.386) 2.796 8.957 ( 7.736 -3.182 -0.625) 8.388 9.132 ( -0.080 -0.136 -0.469) 0.495 9.275 ( -2.379 0.270 0.646) 2.480 10.013 ( 5.821 -2.275 -1.599) 6.451 10.584 ( -6.064 1.523 1.315) 6.389 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 19.147 -4.301 -2.258) 19.753 0.776 ( 15.424 -3.217 -2.148) 15.902 1.546 ( 21.654 -5.274 1.406) 22.331 1.719 ( -3.293 1.149 -3.201) 4.734 1.769 ( 0.495 -1.033 -0.336) 1.193 2.064 ( 1.119 5.841 3.070) 6.693 2.186 ( -1.208 -3.006 3.278) 4.609 2.273 ( -1.353 -0.443 -4.429) 4.652 2.438 ( -0.141 -3.648 0.916) 3.764 2.875 ( 9.044 0.121 0.194) 9.046 3.115 ( -20.909 5.647 0.035) 21.658 3.440 ( -6.059 -1.434 -0.412) 6.240 3.921 ( -17.565 0.256 -0.039) 17.567 4.195 ( -4.723 5.079 -0.005) 6.935 5.159 ( -13.705 0.394 -0.335) 13.714 7.433 ( 3.049 0.030 0.099) 3.051 7.538 ( 6.431 -1.620 0.142) 6.633 7.863 ( -1.663 -0.294 -0.095) 1.691 8.024 ( 1.201 0.233 -0.251) 1.249 8.640 ( 5.924 0.763 0.174) 5.975 8.772 ( 10.145 -3.234 -0.050) 10.648 8.813 ( 2.799 0.903 -0.870) 3.067 8.841 ( 2.607 -1.602 -0.251) 3.070 9.128 ( -0.095 -0.321 -0.282) 0.438 9.310 ( -1.242 0.186 0.434) 1.329 9.902 ( 4.493 -1.272 -0.833) 4.743 10.694 ( -4.964 0.871 0.682) 5.085 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -0.000 9.471 8.741) 12.888 0.581 ( -0.000 8.826 12.397) 15.217 0.900 ( -0.000 21.606 10.885) 24.193 1.748 ( -0.000 0.338 2.669) 2.690 1.754 ( 0.000 -0.557 -5.753) 5.780 2.096 ( 0.000 -3.881 0.559) 3.921 2.178 ( -0.000 -0.303 2.526) 2.544 2.348 ( 0.000 4.587 -7.098) 8.451 2.461 ( 0.000 -6.097 -1.324) 6.239 2.700 ( -0.000 1.856 0.068) 1.857 3.547 ( 0.000 -9.360 0.858) 9.399 3.669 ( 0.000 -2.952 -1.142) 3.165 4.282 ( 0.000 -5.934 0.104) 5.935 4.325 ( 0.000 -2.536 0.092) 2.538 5.569 ( 0.000 -7.051 0.398) 7.062 7.321 ( -0.000 1.524 -0.267) 1.547 7.386 ( -0.000 3.464 -0.188) 3.469 7.898 ( 0.000 0.780 -0.277) 0.827 8.012 ( -0.000 -0.226 1.238) 1.259 8.423 ( -0.000 3.185 0.231) 3.194 8.531 ( -0.000 6.768 -0.537) 6.790 8.755 ( 0.000 1.733 -0.484) 1.799 8.913 ( -0.000 -4.982 5.478) 7.405 9.183 ( -0.000 -0.105 0.557) 0.567 9.225 ( 0.000 3.630 -3.036) 4.732 9.844 ( -0.000 2.002 1.827) 2.711 10.785 ( 0.000 -2.618 -0.854) 2.753 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -6.835 9.852 6.732) 13.751 0.750 ( -1.426 4.696 10.753) 11.820 1.259 ( -10.029 21.706 2.860) 24.081 1.720 ( -1.942 -0.836 -5.700) 6.079 1.792 ( -1.117 1.236 3.994) 4.327 2.025 ( 5.033 -1.767 2.626) 5.946 2.181 ( 1.742 0.600 -1.036) 2.114 2.323 ( -0.090 1.362 -7.460) 7.584 2.400 ( -0.618 -4.737 0.997) 4.880 2.744 ( -2.506 3.699 -0.012) 4.468 3.378 ( 7.563 -13.913 0.015) 15.836 3.606 ( 2.537 -3.574 -0.858) 4.466 4.161 ( 5.655 -9.634 0.120) 11.171 4.287 ( 1.739 -2.941 0.017) 3.417 5.435 ( 6.696 -9.166 0.252) 11.355 7.358 ( -2.383 1.912 -0.344) 3.074 7.435 ( -1.628 4.552 -0.190) 4.838 7.903 ( 0.158 1.009 -0.188) 1.038 8.020 ( -0.264 -0.527 1.081) 1.232 8.495 ( -3.780 3.939 0.132) 5.461 8.633 ( -3.904 8.560 -0.402) 9.417 8.778 ( -0.899 1.940 -0.093) 2.140 8.912 ( 0.546 -1.333 4.442) 4.669 9.167 ( 1.361 0.595 0.083) 1.488 9.252 ( -1.783 0.564 -2.204) 2.890 9.893 ( -1.680 2.757 1.717) 3.657 10.730 ( 2.076 -3.519 -1.334) 4.298 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -4.265 5.699 4.559) 8.453 0.967 ( -9.059 10.015 4.708) 14.302 1.574 ( -6.250 9.818 -1.034) 11.685 1.708 ( -2.992 -0.021 -5.994) 6.699 1.879 ( -0.129 4.153 4.100) 5.837 1.988 ( -0.202 0.955 5.008) 5.102 2.118 ( 3.469 1.244 -3.653) 5.189 2.293 ( -2.215 -1.699 -3.190) 4.239 2.403 ( -2.686 -1.256 0.384) 2.990 2.857 ( -5.334 7.026 -0.095) 8.822 3.059 ( 13.203 -16.186 -0.736) 20.901 3.513 ( 3.598 -4.137 -0.567) 5.512 3.933 ( 8.542 -13.802 0.094) 16.232 4.198 ( 7.076 -1.781 -0.064) 7.297 5.215 ( 8.443 -9.862 0.190) 12.983 7.417 ( -2.395 2.533 -0.376) 3.506 7.519 ( -3.583 4.153 -0.359) 5.497 7.907 ( 0.558 0.807 0.144) 0.991 8.025 ( -0.350 -0.675 0.657) 1.005 8.603 ( -4.110 4.622 0.003) 6.185 8.797 ( -6.666 7.049 0.009) 9.701 8.814 ( -1.227 1.905 0.244) 2.279 8.935 ( -0.254 0.032 3.027) 3.038 9.153 ( 0.892 0.153 -0.094) 0.909 9.256 ( -0.564 -0.380 -1.800) 1.924 9.976 ( -3.478 3.376 1.504) 5.075 10.635 ( 3.684 -4.020 -1.788) 5.739 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -11.084 7.841 -0.406) 13.583 1.236 ( -8.046 10.088 3.024) 13.253 1.636 ( -0.408 1.104 -3.646) 3.831 1.743 ( -2.182 1.586 0.520) 2.748 1.854 ( 5.360 -1.305 2.090) 5.899 1.991 ( 3.968 1.411 -1.258) 4.395 2.157 ( -3.843 1.743 -1.184) 4.383 2.318 ( -2.939 -1.891 0.185) 3.500 2.532 ( -13.943 3.164 0.592) 14.310 2.654 ( 15.731 -15.914 -1.083) 22.402 3.056 ( -7.796 11.973 -0.065) 14.287 3.413 ( 2.904 -4.267 -0.472) 5.183 3.637 ( 9.566 -17.369 0.040) 19.829 4.010 ( 15.731 0.854 -0.065) 15.754 5.013 ( 4.371 -9.846 0.077) 10.773 7.472 ( -1.283 2.990 -0.235) 3.262 7.615 ( -4.491 2.666 -0.561) 5.253 7.896 ( 1.479 -0.427 0.398) 1.590 8.030 ( -0.319 0.018 0.285) 0.428 8.704 ( -2.580 4.711 0.053) 5.372 8.846 ( -0.882 1.166 0.329) 1.499 8.957 ( -0.679 0.532 1.606) 1.823 8.971 ( -6.445 4.234 0.346) 7.719 9.139 ( 0.683 -0.269 -0.157) 0.751 9.236 ( 0.604 -0.956 -1.457) 1.844 10.088 ( -4.639 3.531 1.155) 5.943 10.515 ( 4.344 -4.030 -1.723) 6.171 ======================= Grid point 134 (54/171) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -10.272 7.191 -0.336) 12.543 1.419 ( -2.241 5.840 -0.464) 6.273 1.609 ( 0.682 -0.368 -2.530) 2.647 1.763 ( 0.972 -0.087 -0.103) 0.981 1.810 ( -0.266 1.555 3.699) 4.021 1.943 ( 3.864 -0.311 -0.691) 3.937 2.191 ( -1.752 -0.634 -1.519) 2.404 2.269 ( 9.749 -8.744 -0.540) 13.107 2.338 ( -0.751 -1.939 0.187) 2.088 2.871 ( -22.574 0.215 0.145) 22.576 3.280 ( 4.837 -9.461 -0.090) 10.626 3.331 ( -0.376 0.104 0.276) 0.478 3.346 ( -0.527 -0.832 -0.585) 1.146 3.735 ( 20.175 7.054 0.006) 21.373 4.900 ( -1.468 -9.058 -0.104) 9.177 7.507 ( 0.277 2.651 -0.051) 2.666 7.699 ( -4.041 1.172 -0.485) 4.235 7.854 ( 2.437 -2.175 0.280) 3.278 8.040 ( 0.070 1.053 0.145) 1.065 8.767 ( 0.020 3.786 0.200) 3.792 8.866 ( -0.028 0.973 0.082) 0.977 8.961 ( 0.542 -0.582 0.633) 1.016 9.102 ( -3.995 2.011 0.193) 4.477 9.125 ( 0.147 -0.092 -0.042) 0.179 9.199 ( 0.893 -1.482 -0.916) 1.958 10.179 ( -1.199 1.377 0.069) 1.827 10.422 ( 0.650 -2.027 -0.506) 2.188 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 11.996 -2.144 -0.530) 12.197 1.470 ( 10.768 -4.642 -0.705) 11.747 1.574 ( -1.918 0.271 -0.792) 2.093 1.795 ( 0.963 -0.678 0.868) 1.463 1.804 ( -0.047 1.452 -0.021) 1.453 1.908 ( -3.993 3.627 0.664) 5.435 2.192 ( -2.379 0.417 -0.933) 2.589 2.321 ( -13.230 5.129 0.037) 14.189 2.337 ( -0.211 -0.714 0.146) 0.758 2.907 ( 12.916 -19.979 -0.029) 23.790 3.242 ( -20.014 -0.754 -0.082) 20.028 3.306 ( 12.223 0.347 0.217) 12.230 3.324 ( -2.147 -2.748 -0.374) 3.508 3.752 ( -4.394 20.068 -0.003) 20.543 4.884 ( -6.203 -7.009 -0.171) 9.361 7.510 ( 1.898 1.706 0.043) 2.552 7.738 ( 1.031 -1.189 -0.008) 1.574 7.804 ( -0.596 -1.679 -0.101) 1.784 8.046 ( 0.747 1.233 0.019) 1.441 8.774 ( 2.952 2.327 0.176) 3.763 8.866 ( 1.158 0.892 -0.082) 1.464 8.939 ( 1.511 -1.196 0.103) 1.930 9.077 ( 4.146 -1.922 -0.309) 4.580 9.132 ( 0.399 -0.320 -0.221) 0.557 9.225 ( -3.701 0.487 0.190) 3.738 10.122 ( 5.423 -2.406 -0.700) 5.974 10.477 ( -5.826 1.474 0.517) 6.031 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 14.612 -3.783 -0.000) 15.094 1.106 ( 20.645 -7.713 -0.000) 22.039 1.630 ( -3.622 0.775 0.000) 3.704 1.784 ( 0.511 -0.161 -0.000) 0.536 1.805 ( 3.977 -1.147 -0.000) 4.139 2.017 ( -2.081 5.534 0.000) 5.912 2.226 ( -1.811 0.430 0.000) 1.861 2.287 ( 5.622 -2.211 -0.000) 6.041 2.549 ( 7.704 -12.799 -0.000) 14.938 2.696 ( -22.027 7.764 0.000) 23.356 3.056 ( 13.720 0.357 -0.000) 13.725 3.362 ( -5.062 -1.951 0.000) 5.425 3.604 ( -21.799 -0.888 0.000) 21.817 4.017 ( -6.556 13.504 0.000) 15.011 4.969 ( -10.603 -3.136 0.000) 11.058 7.481 ( 2.980 0.657 -0.000) 3.051 7.655 ( 5.304 -2.574 -0.000) 5.896 7.832 ( -2.528 -0.438 0.000) 2.565 8.039 ( 1.199 0.743 -0.000) 1.411 8.724 ( 5.149 1.157 -0.000) 5.277 8.845 ( 2.351 0.878 -0.000) 2.510 8.895 ( 2.255 -1.591 -0.000) 2.759 8.951 ( 7.820 -3.277 -0.000) 8.479 9.128 ( -0.147 -0.302 0.000) 0.336 9.280 ( -2.422 0.333 0.000) 2.444 10.000 ( 5.791 -2.390 -0.000) 6.265 10.595 ( -6.108 1.535 0.000) 6.298 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 12.679 0.000 7.409) 14.686 0.662 ( 7.494 0.000 12.154) 14.279 1.154 ( 24.783 0.000 5.431) 25.371 1.756 ( 0.883 0.000 1.201) 1.491 1.871 ( 3.376 0.000 -9.250) 9.846 1.923 ( -7.596 -0.000 4.554) 8.856 2.148 ( -1.566 0.000 -2.992) 3.377 2.330 ( 0.469 0.000 -4.240) 4.266 2.446 ( -2.017 -0.000 3.835) 4.333 2.756 ( 4.906 0.000 -0.214) 4.911 3.436 ( -15.607 -0.000 -0.674) 15.621 3.545 ( -5.031 -0.000 1.356) 5.211 4.163 ( -11.739 -0.000 0.096) 11.739 4.281 ( -3.333 -0.000 0.096) 3.334 5.400 ( -12.831 -0.000 0.922) 12.864 7.385 ( 2.185 0.000 -0.257) 2.200 7.420 ( 5.963 0.000 -0.462) 5.981 7.882 ( -0.642 -0.000 0.030) 0.642 8.026 ( 0.711 0.000 1.134) 1.338 8.547 ( 4.827 0.000 -0.588) 4.862 8.589 ( 10.368 0.000 0.392) 10.376 8.778 ( 2.375 0.000 -0.632) 2.458 8.881 ( -1.197 -0.000 5.150) 5.288 9.137 ( 0.157 -0.000 0.495) 0.520 9.288 ( 0.831 0.000 -2.058) 2.220 9.875 ( 3.150 0.000 2.370) 3.942 10.740 ( -3.973 -0.000 -1.421) 4.219 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -0.000 7.203 8.067) 10.815 0.752 ( -0.000 13.000 9.877) 16.326 1.060 ( -0.000 8.247 9.370) 12.483 1.664 ( 0.000 -0.276 -5.741) 5.747 1.799 ( -0.000 2.028 3.952) 4.442 2.087 ( 0.000 -1.503 -1.347) 2.018 2.212 ( -0.000 -0.388 1.912) 1.951 2.226 ( 0.000 3.665 -7.923) 8.730 2.453 ( 0.000 -6.098 -0.654) 6.133 2.701 ( -0.000 1.845 0.069) 1.846 3.559 ( 0.000 -10.021 0.731) 10.048 3.651 ( 0.000 -3.075 -1.148) 3.282 4.284 ( 0.000 -5.933 0.104) 5.934 4.326 ( 0.000 -2.607 0.094) 2.609 5.576 ( 0.000 -7.474 0.419) 7.485 7.317 ( -0.000 1.546 -0.263) 1.568 7.382 ( -0.000 3.534 -0.242) 3.542 7.894 ( 0.000 0.755 -0.272) 0.803 8.032 ( -0.000 -0.466 1.298) 1.379 8.427 ( -0.000 3.172 0.225) 3.180 8.522 ( -0.000 6.833 -0.572) 6.856 8.747 ( 0.000 2.063 -0.456) 2.113 8.980 ( -0.000 -3.637 3.411) 4.986 9.186 ( 0.000 2.817 -2.159) 3.549 9.191 ( -0.000 -0.128 0.554) 0.569 9.873 ( -0.000 1.587 1.869) 2.452 10.772 ( 0.000 -3.035 -0.764) 3.130 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -6.202 8.479 5.688) 11.946 0.912 ( 0.629 0.702 10.277) 10.320 1.275 ( -8.517 17.194 -0.917) 19.210 1.635 ( -1.509 -0.672 -4.971) 5.239 1.867 ( -0.703 3.538 5.321) 6.428 2.054 ( 2.183 -0.389 1.236) 2.539 2.147 ( 4.318 1.238 -3.702) 5.821 2.235 ( -1.244 0.428 -3.483) 3.723 2.408 ( -1.533 -4.721 0.098) 4.964 2.745 ( -2.461 3.579 0.032) 4.344 3.377 ( 7.935 -14.550 -0.102) 16.573 3.594 ( 1.922 -4.036 -0.704) 4.525 4.163 ( 5.644 -9.657 0.095) 11.185 4.287 ( 1.762 -3.038 0.021) 3.512 5.438 ( 6.526 -9.608 0.208) 11.616 7.353 ( -2.270 1.939 -0.278) 2.998 7.432 ( -1.572 4.625 -0.215) 4.889 7.901 ( -0.043 1.010 -0.148) 1.021 8.035 ( -0.151 -0.864 0.910) 1.264 8.496 ( -3.613 3.976 0.107) 5.373 8.627 ( -4.156 8.603 -0.322) 9.560 8.775 ( -1.004 2.411 -0.226) 2.622 8.973 ( 0.609 -1.717 3.317) 3.784 9.165 ( 1.269 0.750 -0.403) 1.528 9.223 ( -1.750 0.267 -1.443) 2.284 9.918 ( -1.824 2.222 1.409) 3.201 10.712 ( 2.378 -3.954 -0.982) 4.717 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -1.445 0.776 3.410) 3.784 1.032 ( -8.325 9.470 3.403) 13.060 1.561 ( -6.846 9.435 -0.509) 11.668 1.625 ( -3.459 1.571 -4.702) 6.045 1.936 ( 2.193 3.000 3.390) 5.030 2.042 ( 4.557 -0.480 -0.869) 4.664 2.078 ( -2.047 1.864 1.224) 3.027 2.244 ( -3.628 0.707 -2.906) 4.701 2.412 ( -2.831 -1.766 0.519) 3.377 2.857 ( -5.432 6.937 0.012) 8.811 3.048 ( 13.275 -16.957 -0.525) 21.541 3.505 ( 3.216 -4.606 -0.402) 5.632 3.934 ( 8.541 -13.847 0.058) 16.269 4.197 ( 7.067 -1.887 -0.030) 7.315 5.218 ( 8.281 -10.191 0.115) 13.132 7.412 ( -2.412 2.541 -0.239) 3.512 7.514 ( -3.349 4.224 -0.246) 5.396 7.909 ( 0.281 0.862 0.095) 0.912 8.034 ( -0.212 -1.007 0.419) 1.111 8.603 ( -4.003 4.747 0.024) 6.210 8.797 ( -7.023 7.299 -0.011) 10.129 8.815 ( -1.251 2.073 -0.024) 2.421 8.977 ( 0.207 -0.827 2.211) 2.369 9.151 ( 0.771 0.053 -0.178) 0.793 9.231 ( -0.610 -0.258 -1.309) 1.467 9.996 ( -3.688 2.870 0.932) 4.765 10.612 ( 3.950 -4.258 -1.063) 5.905 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -10.410 5.476 -0.113) 11.763 1.274 ( -7.073 10.025 1.603) 12.373 1.588 ( -0.408 -0.191 -1.989) 2.039 1.751 ( -3.751 3.440 0.327) 5.100 1.882 ( 6.567 -1.564 1.305) 6.875 1.971 ( 2.880 2.459 -1.040) 3.928 2.145 ( -2.690 -0.108 -0.445) 2.728 2.318 ( -3.926 -1.213 -0.040) 4.109 2.541 ( -14.005 3.491 0.432) 14.440 2.641 ( 16.002 -16.698 -0.472) 23.133 3.056 ( -7.934 11.910 -0.005) 14.311 3.408 ( 2.735 -4.582 -0.210) 5.341 3.638 ( 9.575 -17.410 0.018) 19.869 4.009 ( 15.668 0.785 -0.020) 15.688 5.014 ( 4.348 -10.057 0.029) 10.956 7.469 ( -1.360 3.023 -0.094) 3.316 7.608 ( -4.319 2.714 -0.218) 5.106 7.901 ( 1.350 -0.489 0.155) 1.444 8.034 ( -0.276 -0.098 0.111) 0.313 8.704 ( -2.584 4.849 0.045) 5.495 8.849 ( -0.804 1.394 0.038) 1.610 8.972 ( -6.668 4.476 0.241) 8.035 8.979 ( -0.248 -0.354 0.682) 0.808 9.137 ( 0.630 -0.381 -0.066) 0.739 9.219 ( 0.492 -0.852 -0.682) 1.197 10.100 ( -4.693 3.122 0.432) 5.653 10.497 ( 4.292 -4.020 -0.644) 5.916 ======================= Grid point 145 (62/171) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -13.218 6.504 0.000) 14.732 1.418 ( 2.052 5.347 -0.000) 5.727 1.588 ( -0.715 -0.209 0.000) 0.745 1.762 ( 0.960 -0.066 -0.000) 0.963 1.843 ( -0.984 2.373 0.000) 2.569 1.935 ( 4.712 -0.946 -0.000) 4.805 2.177 ( -2.199 -0.707 0.000) 2.310 2.265 ( 10.064 -9.282 -0.000) 13.691 2.339 ( -1.197 -1.469 0.000) 1.895 2.873 ( -22.409 0.169 0.000) 22.409 3.280 ( 5.006 -9.958 -0.000) 11.145 3.336 ( -1.636 3.452 0.000) 3.820 3.338 ( 0.480 -3.925 -0.000) 3.954 3.735 ( 20.142 7.036 -0.000) 21.336 4.899 ( -1.438 -9.172 -0.000) 9.284 7.506 ( 0.233 2.691 0.000) 2.701 7.695 ( -4.045 1.202 0.000) 4.220 7.856 ( 2.429 -2.286 -0.000) 3.335 8.041 ( 0.103 1.066 0.000) 1.071 8.769 ( 0.007 3.895 0.000) 3.895 8.866 ( 0.072 1.026 0.000) 1.028 8.967 ( 0.722 -0.855 -0.000) 1.119 9.103 ( -3.482 1.751 0.000) 3.897 9.125 ( -0.217 0.104 0.000) 0.240 9.192 ( 0.585 -1.442 -0.000) 1.556 10.179 ( -0.668 0.891 0.000) 1.114 10.418 ( 0.005 -1.690 -0.000) 1.690 ======================= Grid point 149 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 12.517 0.060 7.119) 14.399 0.925 ( 13.527 -2.990 6.195) 15.175 1.525 ( 12.578 -3.345 0.501) 13.025 1.783 ( 0.732 -1.129 0.716) 1.524 1.809 ( -1.933 0.878 -3.713) 4.277 1.957 ( 7.401 0.081 2.505) 7.814 2.096 ( -1.097 -0.234 -2.970) 3.175 2.307 ( -0.855 -2.796 -3.371) 4.462 2.449 ( 0.181 0.258 2.519) 2.539 2.864 ( 8.598 -0.471 -0.357) 8.618 3.111 ( -20.382 5.310 -0.193) 21.063 3.470 ( -5.845 -0.548 1.232) 5.999 3.924 ( -17.465 0.284 0.124) 17.467 4.197 ( -4.785 5.054 0.084) 6.960 5.184 ( -13.535 0.731 1.056) 13.596 7.426 ( 3.030 0.050 -0.300) 3.045 7.525 ( 6.339 -1.581 -0.635) 6.564 7.871 ( -1.286 -0.386 0.321) 1.380 8.044 ( 0.708 0.371 0.892) 1.198 8.628 ( 5.850 0.356 -0.496) 5.882 8.778 ( 9.076 -2.746 0.370) 9.489 8.821 ( 3.800 -0.501 -0.309) 3.845 8.912 ( 0.559 -0.126 3.642) 3.686 9.145 ( 0.194 0.057 0.532) 0.569 9.274 ( -0.734 -0.020 -1.803) 1.947 9.964 ( 4.859 -0.973 2.687) 5.637 10.646 ( -5.422 0.944 -1.995) 5.854 ======================= Grid point 150 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 11.299 0.000 6.683) 13.128 0.843 ( 5.073 -0.000 11.433) 12.508 1.231 ( 19.311 0.000 3.845) 19.690 1.741 ( 2.328 0.000 -7.297) 7.659 1.778 ( 0.258 -0.000 1.705) 1.724 1.994 ( -4.731 -0.000 4.548) 6.562 2.097 ( -1.318 0.000 -3.654) 3.884 2.261 ( 0.863 0.000 -4.398) 4.482 2.484 ( -1.381 -0.000 1.263) 1.871 2.754 ( 4.678 0.000 -0.103) 4.679 3.426 ( -15.240 -0.000 -0.677) 15.255 3.566 ( -4.984 -0.000 1.296) 5.149 4.165 ( -11.748 -0.000 0.090) 11.748 4.283 ( -3.347 -0.000 0.127) 3.350 5.415 ( -12.660 -0.000 0.911) 12.693 7.382 ( 2.160 0.000 -0.236) 2.173 7.412 ( 5.834 0.000 -0.558) 5.861 7.883 ( -0.398 -0.000 0.038) 0.400 8.044 ( 0.474 -0.000 1.205) 1.295 8.538 ( 4.843 0.000 -0.631) 4.884 8.595 ( 10.510 0.000 0.417) 10.518 8.770 ( 2.421 0.000 -0.473) 2.467 8.953 ( -1.716 -0.000 4.149) 4.489 9.143 ( 0.318 0.000 0.282) 0.425 9.256 ( 1.018 0.000 -2.034) 2.274 9.912 ( 3.377 0.000 2.383) 4.133 10.719 ( -4.594 -0.000 -1.259) 4.763 ======================= Grid point 152 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.000 6.010 5.080) 7.869 0.873 ( -0.000 18.486 5.805) 19.376 1.169 ( -0.000 -3.611 4.787) 5.996 1.589 ( 0.000 -0.079 -3.845) 3.846 1.863 ( -0.000 4.058 4.167) 5.817 2.064 ( 0.000 0.541 -1.514) 1.608 2.123 ( 0.000 1.614 -5.246) 5.489 2.235 ( -0.000 -0.419 1.001) 1.085 2.437 ( 0.000 -4.841 -1.127) 4.970 2.702 ( -0.000 1.836 0.043) 1.836 3.568 ( 0.000 -10.622 0.417) 10.630 3.636 ( 0.000 -3.175 -0.712) 3.254 4.285 ( 0.000 -5.933 0.064) 5.933 4.327 ( 0.000 -2.659 0.055) 2.659 5.581 ( 0.000 -7.802 0.262) 7.806 7.314 ( -0.000 1.563 -0.161) 1.571 7.379 ( -0.000 3.519 -0.157) 3.522 7.890 ( 0.000 0.736 -0.165) 0.755 8.048 ( -0.000 -0.692 0.840) 1.089 8.429 ( -0.000 3.161 0.136) 3.164 8.514 ( -0.000 6.943 -0.382) 6.954 8.742 ( -0.000 2.158 -0.235) 2.171 9.019 ( -0.000 -2.122 1.785) 2.772 9.159 ( 0.000 1.665 -1.277) 2.098 9.198 ( -0.000 -0.147 0.341) 0.371 9.897 ( -0.000 1.247 1.169) 1.709 10.763 ( 0.000 -3.289 -0.457) 3.321 ======================= Grid point 153 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -5.796 7.876 2.326) 10.052 1.046 ( 3.376 -4.602 6.289) 8.493 1.237 ( -9.244 18.176 -3.133) 20.631 1.580 ( -1.397 -0.766 -1.935) 2.506 1.938 ( 0.137 4.788 3.344) 5.842 2.062 ( 0.683 1.609 -0.404) 1.794 2.090 ( 1.057 0.371 -2.341) 2.595 2.209 ( 1.941 -0.558 -0.613) 2.111 2.406 ( -2.037 -4.101 -0.169) 4.583 2.745 ( -2.451 3.542 0.018) 4.307 3.376 ( 8.147 -14.935 -0.063) 17.013 3.586 ( 1.559 -4.380 -0.269) 4.657 4.164 ( 5.637 -9.670 0.036) 11.193 4.288 ( 1.770 -3.098 0.009) 3.568 5.441 ( 6.429 -9.873 0.080) 11.783 7.350 ( -2.198 1.955 -0.106) 2.943 7.430 ( -1.537 4.653 -0.092) 4.902 7.899 ( -0.166 1.010 -0.056) 1.025 8.045 ( -0.080 -1.087 0.358) 1.147 8.498 ( -3.508 4.019 0.040) 5.335 8.623 ( -4.313 8.652 -0.125) 9.668 8.773 ( -1.050 2.521 -0.090) 2.732 9.009 ( 0.492 -1.542 1.320) 2.089 9.157 ( 0.604 0.750 -0.450) 1.063 9.209 ( -1.018 -0.008 -0.389) 1.089 9.933 ( -1.908 1.890 0.541) 2.740 10.702 ( 2.556 -4.207 -0.361) 4.935 ======================= Grid point 154 (67/171) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -0.175 -1.437 -0.000) 1.447 1.059 ( -8.093 9.501 0.000) 12.481 1.563 ( -10.346 12.470 0.000) 16.204 1.579 ( -0.514 -0.790 0.000) 0.943 1.975 ( 2.149 3.881 -0.000) 4.437 2.009 ( 5.582 -0.908 -0.000) 5.656 2.106 ( -2.295 -0.147 0.000) 2.300 2.218 ( -4.266 2.076 0.000) 4.744 2.416 ( -2.993 -1.599 0.000) 3.393 2.857 ( -5.480 6.947 0.000) 8.848 3.044 ( 13.309 -17.294 -0.000) 21.822 3.502 ( 3.076 -4.795 -0.000) 5.697 3.934 ( 8.539 -13.863 -0.000) 16.282 4.197 ( 7.062 -1.928 -0.000) 7.321 5.219 ( 8.220 -10.315 -0.000) 13.190 7.410 ( -2.416 2.544 0.000) 3.508 7.512 ( -3.264 4.252 0.000) 5.360 7.910 ( 0.174 0.887 0.000) 0.904 8.037 ( -0.157 -1.138 -0.000) 1.149 8.603 ( -3.965 4.809 0.000) 6.233 8.797 ( -7.128 7.361 0.000) 10.247 8.815 ( -1.284 2.097 0.000) 2.459 8.995 ( 0.358 -1.074 -0.000) 1.132 9.149 ( 0.625 0.002 -0.000) 0.625 9.220 ( -0.530 -0.192 0.000) 0.563 10.003 ( -3.764 2.678 0.000) 4.620 10.604 ( 4.055 -4.353 -0.000) 5.949 ======================= Grid point 160 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 14.927 -0.603 4.180) 15.513 1.225 ( 15.414 -3.250 3.255) 16.085 1.636 ( 2.040 -0.759 -0.659) 2.274 1.755 ( -1.105 0.401 -0.692) 1.364 1.812 ( 0.276 -1.353 0.649) 1.526 1.946 ( -3.548 4.741 -2.360) 6.375 2.188 ( 4.425 -1.264 -1.017) 4.713 2.330 ( 0.800 -3.499 -0.508) 3.625 2.562 ( 10.464 -9.267 1.942) 14.112 2.701 ( -21.632 7.966 -0.019) 23.052 3.042 ( 13.481 -0.366 -0.342) 13.490 3.395 ( -4.868 -0.764 0.904) 5.010 3.611 ( -21.536 -0.721 0.194) 21.549 4.018 ( -6.607 13.397 0.078) 14.938 4.998 ( -10.677 -2.298 0.849) 10.955 7.472 ( 3.041 0.500 -0.267) 3.094 7.636 ( 5.655 -2.199 -0.645) 6.102 7.851 ( -2.216 -0.685 0.575) 2.390 8.052 ( 0.428 0.956 0.460) 1.144 8.712 ( 5.184 0.798 -0.253) 5.251 8.843 ( 1.453 -0.359 -0.291) 1.525 8.945 ( 1.065 -0.172 2.292) 2.533 8.977 ( 7.696 -3.038 0.522) 8.290 9.148 ( 0.192 0.654 0.411) 0.796 9.239 ( -1.946 -0.149 -1.524) 2.476 10.085 ( 5.940 -1.563 2.519) 6.639 10.525 ( -5.865 1.429 -2.051) 6.375 ======================= Grid point 161 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 10.966 0.423 5.854) 12.438 1.015 ( 10.519 -1.407 5.390) 11.903 1.536 ( 11.182 -2.450 0.882) 11.481 1.718 ( 2.732 0.609 -6.313) 6.906 1.802 ( -0.358 -2.291 1.076) 2.556 2.009 ( -0.518 2.560 1.533) 3.029 2.066 ( 3.292 -2.537 0.852) 4.242 2.250 ( 0.736 -2.853 -3.888) 4.879 2.480 ( 0.712 0.563 1.448) 1.709 2.859 ( 8.336 -0.698 -0.215) 8.368 3.108 ( -20.053 5.194 -0.184) 20.715 3.487 ( -5.741 -0.020 0.966) 5.821 3.926 ( -17.399 0.302 0.099) 17.402 4.198 ( -4.823 5.048 0.095) 6.982 5.198 ( -13.437 0.930 0.840) 13.495 7.422 ( 3.020 0.079 -0.233) 3.030 7.515 ( 6.295 -1.579 -0.580) 6.516 7.875 ( -1.052 -0.436 0.267) 1.170 8.057 ( 0.400 0.464 0.769) 0.983 8.621 ( 5.894 0.124 -0.417) 5.910 8.785 ( 8.651 -2.415 0.580) 9.000 8.815 ( 4.438 -0.842 -0.437) 4.539 8.965 ( -0.357 0.163 3.122) 3.147 9.151 ( 0.375 0.223 0.304) 0.532 9.245 ( -0.539 -0.143 -1.861) 1.943 10.002 ( 5.058 -0.788 2.160) 5.556 10.618 ( -5.815 1.007 -1.540) 6.099 ======================= Grid point 162 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 10.638 0.000 3.914) 11.335 1.006 ( 2.802 -0.000 9.759) 10.153 1.247 ( 16.638 0.000 -1.978) 16.755 1.660 ( 1.076 0.000 -3.222) 3.397 1.805 ( -0.534 -0.000 1.637) 1.722 2.044 ( -0.888 0.000 -2.933) 3.064 2.061 ( -1.383 -0.000 4.122) 4.348 2.200 ( -0.174 0.000 -3.646) 3.650 2.490 ( -0.190 -0.000 -0.168) 0.254 2.753 ( 4.535 0.000 -0.033) 4.535 3.417 ( -14.944 -0.000 -0.420) 14.950 3.582 ( -4.940 -0.000 0.782) 5.002 4.166 ( -11.751 -0.000 0.053) 11.751 4.284 ( -3.348 -0.000 0.088) 3.349 5.426 ( -12.529 -0.000 0.558) 12.542 7.379 ( 2.137 0.000 -0.136) 2.142 7.404 ( 5.706 0.000 -0.373) 5.718 7.883 ( -0.199 -0.000 0.028) 0.201 8.060 ( 0.269 -0.000 0.786) 0.830 8.530 ( 4.882 0.000 -0.422) 4.900 8.601 ( 10.669 0.000 0.273) 10.673 8.764 ( 2.421 0.000 -0.233) 2.432 9.004 ( -1.394 -0.000 2.468) 2.835 9.146 ( 0.462 0.000 0.091) 0.471 9.229 ( 0.681 0.000 -1.430) 1.584 9.943 ( 3.542 0.000 1.474) 3.837 10.704 ( -5.074 -0.000 -0.733) 5.126 ======================= Grid point 164 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -0.000 5.638 0.000) 5.638 0.919 ( -0.000 21.383 0.000) 21.383 1.205 ( 0.000 -8.877 0.000) 8.877 1.558 ( 0.000 -0.009 0.000) 0.009 1.903 ( -0.000 5.393 0.000) 5.393 2.047 ( -0.000 1.874 0.000) 1.874 2.082 ( 0.000 -0.224 -0.000) 0.224 2.242 ( 0.000 -0.426 0.000) 0.426 2.427 ( 0.000 -4.241 0.000) 4.241 2.702 ( -0.000 1.832 0.000) 1.832 3.571 ( 0.000 -10.864 0.000) 10.864 3.631 ( 0.000 -3.214 0.000) 3.214 4.285 ( 0.000 -5.932 0.000) 5.932 4.328 ( 0.000 -2.678 -0.000) 2.678 5.583 ( 0.000 -7.926 0.000) 7.926 7.313 ( -0.000 1.569 0.000) 1.569 7.378 ( -0.000 3.501 0.000) 3.501 7.889 ( -0.000 0.729 0.000) 0.729 8.055 ( 0.000 -0.787 0.000) 0.787 8.431 ( -0.000 3.156 0.000) 3.156 8.511 ( -0.000 6.999 0.000) 6.999 8.740 ( -0.000 2.175 0.000) 2.175 9.033 ( 0.000 -1.446 0.000) 1.446 9.149 ( -0.000 1.098 0.000) 1.098 9.201 ( 0.000 -0.154 0.000) 0.154 9.906 ( -0.000 1.117 0.000) 1.117 10.759 ( 0.000 -3.375 0.000) 3.375 ======================= Grid point 171 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 9.496 2.556 3.349) 10.389 1.502 ( 12.505 -1.264 -0.601) 12.583 1.641 ( -0.303 1.726 -0.395) 1.796 1.739 ( -1.334 0.182 0.463) 1.424 1.820 ( -0.948 3.788 1.151) 4.071 1.871 ( 1.559 -3.671 -0.556) 4.027 2.211 ( 0.086 -0.805 -0.872) 1.190 2.289 ( -12.368 5.317 -0.088) 13.463 2.359 ( -3.202 0.555 -0.133) 3.252 2.925 ( 12.152 -18.881 0.721) 22.465 3.252 ( -18.626 -0.398 0.231) 18.631 3.294 ( 11.601 0.296 -0.123) 11.605 3.352 ( -2.072 -1.541 0.455) 2.622 3.754 ( -4.371 20.087 0.094) 20.557 4.904 ( -6.485 -5.971 0.440) 8.826 7.504 ( 2.131 1.358 -0.126) 2.530 7.730 ( 3.699 -1.481 -0.367) 4.001 7.822 ( -2.592 -0.929 0.486) 2.796 8.047 ( 0.045 1.322 0.095) 1.326 8.766 ( 3.118 2.043 0.077) 3.728 8.854 ( 0.094 0.007 -0.432) 0.442 8.963 ( -0.027 0.406 1.048) 1.124 9.103 ( 3.540 -1.877 0.384) 4.025 9.139 ( -0.862 1.188 -0.322) 1.503 9.205 ( -0.646 -0.643 -0.328) 0.968 10.194 ( 3.087 0.311 1.195) 3.325 10.426 ( -2.557 -0.292 -0.764) 2.685 ======================= Grid point 172 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 14.622 0.169 2.787) 14.886 1.268 ( 13.621 -1.454 2.232) 13.879 1.620 ( 1.362 0.402 -1.202) 1.861 1.750 ( 2.667 -1.088 -0.085) 2.881 1.822 ( -0.598 -2.706 0.586) 2.833 1.913 ( -3.779 5.204 -1.812) 6.682 2.177 ( 2.394 -0.631 -0.407) 2.509 2.318 ( 2.472 -5.247 -0.755) 5.849 2.590 ( 10.541 -7.965 1.499) 13.297 2.700 ( -21.719 8.328 -0.063) 23.261 3.038 ( 13.412 -0.536 -0.185) 13.424 3.406 ( -4.803 -0.289 0.534) 4.842 3.613 ( -21.438 -0.660 0.120) 21.449 4.020 ( -6.626 13.362 0.065) 14.915 5.009 ( -10.702 -1.991 0.518) 10.898 7.468 ( 3.065 0.458 -0.162) 3.103 7.628 ( 5.767 -2.089 -0.438) 6.149 7.859 ( -2.097 -0.776 0.358) 2.265 8.059 ( 0.157 1.058 0.313) 1.114 8.709 ( 5.323 0.640 -0.135) 5.363 8.840 ( 1.288 -0.389 -0.101) 1.349 8.976 ( 2.112 -0.590 1.516) 2.666 8.983 ( 5.936 -2.304 0.441) 6.383 9.152 ( 0.170 0.942 0.138) 0.967 9.218 ( -1.519 -0.394 -1.170) 1.957 10.117 ( 5.946 -1.211 1.529) 6.258 10.499 ( -5.784 1.357 -1.243) 6.070 ======================= Grid point 173 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 12.607 -1.154 2.111) 12.834 1.079 ( 5.583 1.326 2.532) 6.272 1.552 ( 14.387 -2.740 1.067) 14.685 1.637 ( 1.325 1.009 -3.614) 3.979 1.815 ( -1.332 -3.062 0.582) 3.389 1.997 ( -2.317 2.787 -1.100) 3.788 2.121 ( 3.371 -1.762 4.197) 5.664 2.191 ( 2.127 -3.395 -3.700) 5.454 2.494 ( 1.549 0.493 0.366) 1.667 2.857 ( 8.186 -0.803 -0.069) 8.225 3.106 ( -19.850 5.146 -0.076) 20.506 3.497 ( -5.683 0.302 0.364) 5.702 3.927 ( -17.357 0.313 0.038) 17.360 4.199 ( -4.844 5.046 0.042) 6.995 5.208 ( -13.378 1.050 0.317) 13.423 7.419 ( 3.015 0.103 -0.087) 3.018 7.509 ( 6.263 -1.585 -0.235) 6.464 7.878 ( -0.908 -0.466 0.104) 1.026 8.066 ( 0.207 0.526 0.306) 0.643 8.617 ( 5.944 -0.020 -0.166) 5.946 8.794 ( 9.522 -2.403 0.562) 9.836 8.808 ( 3.687 -0.799 -0.483) 3.803 9.001 ( -0.770 0.289 1.335) 1.568 9.154 ( 0.485 0.311 0.091) 0.583 9.222 ( -0.444 -0.238 -0.898) 1.030 10.025 ( 5.172 -0.674 0.821) 5.280 10.601 ( -6.079 1.049 -0.574) 6.196 ======================= Grid point 174 (75/171) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 10.464 0.000 0.000) 10.464 1.108 ( -5.049 -0.000 0.000) 5.049 1.202 ( 22.891 0.000 -0.000) 22.891 1.638 ( 0.390 0.000 0.000) 0.390 1.820 ( -1.005 -0.000 0.000) 1.005 2.019 ( -0.571 -0.000 0.000) 0.571 2.105 ( 2.097 0.000 0.000) 2.097 2.161 ( -2.762 -0.000 0.000) 2.762 2.487 ( 0.359 0.000 0.000) 0.359 2.753 ( 4.488 0.000 0.000) 4.488 3.414 ( -14.832 -0.000 0.000) 14.832 3.588 ( -4.924 -0.000 0.000) 4.924 4.166 ( -11.751 -0.000 0.000) 11.751 4.285 ( -3.345 -0.000 0.000) 3.345 5.431 ( -12.481 -0.000 0.000) 12.481 7.378 ( 2.128 0.000 0.000) 2.128 7.401 ( 5.650 0.000 0.000) 5.650 7.884 ( -0.123 -0.000 0.000) 0.123 8.066 ( 0.187 0.000 0.000) 0.187 8.526 ( 4.904 0.000 0.000) 4.904 8.603 ( 10.743 0.000 0.000) 10.743 8.763 ( 2.409 0.000 0.000) 2.409 9.024 ( -1.125 -0.000 0.000) 1.125 9.147 ( 0.521 0.000 0.000) 0.521 9.217 ( 0.421 0.000 0.000) 0.421 9.954 ( 3.601 0.000 0.000) 3.601 10.698 ( -5.249 -0.000 0.000) 5.249 ======================= Grid point 182 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -5.352 11.919 0.287) 13.069 1.512 ( -11.165 10.480 1.745) 15.411 1.620 ( 3.142 0.083 -1.941) 3.694 1.763 ( 2.893 -1.205 1.574) 3.506 1.785 ( -1.713 0.226 0.758) 1.887 1.935 ( 4.637 -0.752 -0.730) 4.754 2.197 ( 0.813 -1.732 -0.695) 2.036 2.319 ( 10.350 -7.860 0.742) 13.018 2.341 ( 0.239 -0.712 0.135) 0.763 2.870 ( -23.254 -0.010 0.096) 23.254 3.293 ( 4.757 -8.275 0.300) 9.549 3.328 ( -1.002 2.360 0.032) 2.564 3.363 ( 0.721 -2.136 0.085) 2.256 3.737 ( 20.348 7.229 0.064) 21.594 4.907 ( -1.716 -8.067 0.101) 8.248 7.509 ( 0.610 2.299 0.022) 2.379 7.730 ( -3.763 0.944 0.443) 3.905 7.834 ( 2.405 -1.344 -0.309) 2.772 8.033 ( -0.286 1.079 -0.068) 1.118 8.768 ( 0.187 3.629 0.249) 3.642 8.839 ( -1.243 0.269 -0.625) 1.417 8.952 ( -0.878 1.252 0.167) 1.538 9.072 ( -4.307 2.130 -0.624) 4.845 9.138 ( 0.451 0.047 0.247) 0.516 9.242 ( 2.278 -1.480 0.443) 2.753 10.152 ( -3.839 4.416 -0.655) 5.888 10.477 ( 4.345 -3.830 1.075) 5.891 ======================= Grid point 183 (77/171) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 8.602 3.870 2.549) 9.771 1.486 ( 11.577 0.074 -1.326) 11.653 1.628 ( 1.934 1.494 -0.771) 2.562 1.747 ( -2.824 1.059 0.386) 3.041 1.842 ( 0.519 0.569 1.500) 1.686 1.860 ( 1.922 -2.662 -0.905) 3.406 2.199 ( 1.050 -1.004 -0.541) 1.551 2.292 ( -15.291 6.666 0.297) 16.684 2.354 ( -0.930 -0.737 -0.397) 1.251 2.933 ( 11.676 -18.450 0.333) 21.836 3.255 ( -17.995 -0.327 0.087) 17.998 3.293 ( 11.403 0.339 -0.032) 11.408 3.357 ( -2.283 -1.257 0.156) 2.611 3.755 ( -4.351 20.077 0.045) 20.543 4.909 ( -6.547 -5.727 0.167) 8.700 7.503 ( 2.181 1.285 -0.049) 2.531 7.725 ( 4.098 -1.457 -0.165) 4.353 7.827 ( -2.837 -0.875 0.197) 2.975 8.048 ( -0.106 1.370 0.048) 1.375 8.768 ( 3.311 2.005 0.066) 3.871 8.850 ( -0.179 -0.011 -0.165) 0.244 8.976 ( -0.608 0.659 0.487) 1.020 9.106 ( 3.144 -1.647 0.062) 3.550 9.134 ( -1.178 1.012 -0.181) 1.563 9.202 ( 0.451 -0.684 -0.100) 0.826 10.206 ( 2.040 1.230 0.344) 2.407 10.419 ( -1.294 -0.993 -0.185) 1.641 ======================= Grid point 184 (78/171) ======================= q-point: (-0.60 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 14.345 0.355 -0.000) 14.350 1.286 ( 13.114 -0.707 -0.000) 13.133 1.609 ( 0.753 1.125 -0.000) 1.354 1.749 ( 4.901 -1.954 -0.000) 5.276 1.827 ( -1.440 -4.020 -0.000) 4.270 1.898 ( -3.531 6.122 0.000) 7.067 2.174 ( 1.331 -0.270 -0.000) 1.358 2.312 ( 3.116 -5.829 -0.000) 6.610 2.602 ( 10.584 -7.632 -0.000) 13.049 2.700 ( -21.763 8.480 0.000) 23.357 3.037 ( 13.391 -0.588 -0.000) 13.404 3.410 ( -4.780 -0.102 0.000) 4.781 3.614 ( -21.401 -0.637 0.000) 21.411 4.020 ( -6.633 13.349 0.000) 14.906 5.013 ( -10.711 -1.876 0.000) 10.874 7.467 ( 3.074 0.444 -0.000) 3.106 7.624 ( 5.806 -2.052 -0.000) 6.158 7.861 ( -2.052 -0.810 0.000) 2.206 8.061 ( 0.056 1.100 0.000) 1.102 8.708 ( 5.388 0.573 -0.000) 5.419 8.839 ( 1.220 -0.366 -0.000) 1.273 8.983 ( 8.298 -3.171 -0.000) 8.884 8.992 ( -0.545 0.398 0.000) 0.674 9.153 ( 0.085 1.035 0.000) 1.039 9.208 ( -1.241 -0.503 0.000) 1.339 10.129 ( 5.936 -1.068 -0.000) 6.031 10.489 ( -5.749 1.321 0.000) 5.899 ======================= Grid point 193 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -9.809 13.684 0.083) 16.837 1.153 ( -15.054 15.343 -0.165) 21.495 1.656 ( 2.177 -0.480 -0.493) 2.284 1.784 ( 0.940 -0.577 -0.231) 1.127 1.810 ( 0.335 1.227 0.504) 1.368 2.013 ( 1.568 2.271 0.117) 2.762 2.208 ( -0.700 -1.103 0.345) 1.351 2.282 ( -3.536 2.152 -0.456) 4.164 2.555 ( -12.190 0.038 0.551) 12.202 2.693 ( 16.650 -13.876 0.245) 21.675 3.064 ( -7.222 12.462 0.098) 14.404 3.428 ( 3.651 -3.049 0.074) 4.757 3.636 ( 9.477 -17.117 -0.003) 19.566 4.014 ( 15.967 1.130 0.046) 16.007 5.009 ( 4.475 -8.922 -0.033) 9.982 7.481 ( -0.982 2.809 0.071) 2.976 7.639 ( -5.253 2.534 0.197) 5.836 7.879 ( 2.151 -0.140 -0.139) 2.160 8.018 ( -0.570 0.503 -0.099) 0.767 8.708 ( -2.727 4.622 0.106) 5.367 8.804 ( -2.010 0.393 -0.541) 2.119 8.917 ( -1.411 2.100 -0.130) 2.534 8.954 ( -5.825 4.642 -0.151) 7.450 9.145 ( 0.571 0.284 0.048) 0.639 9.286 ( 1.188 -1.136 0.309) 1.672 10.033 ( -4.103 5.149 -0.462) 6.600 10.598 ( 4.432 -4.032 0.706) 6.033 ======================= Grid point 194 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -5.899 12.493 0.000) 13.815 1.525 ( -10.411 10.949 0.000) 15.109 1.605 ( 2.897 -0.086 -0.000) 2.899 1.775 ( 3.509 -1.237 -0.000) 3.720 1.792 ( -3.220 0.777 0.000) 3.312 1.928 ( 5.546 -1.509 -0.000) 5.747 2.191 ( 0.533 -1.448 -0.000) 1.543 2.325 ( 12.609 -9.093 -0.000) 15.546 2.342 ( -1.300 0.504 0.000) 1.394 2.871 ( -23.263 -0.096 0.000) 23.263 3.295 ( 4.877 -8.485 -0.000) 9.786 3.328 ( -1.308 3.089 0.000) 3.355 3.364 ( 0.950 -2.390 -0.000) 2.572 3.737 ( 20.354 7.254 -0.000) 21.608 4.908 ( -1.744 -7.948 -0.000) 8.137 7.509 ( 0.644 2.257 0.000) 2.347 7.733 ( -3.679 0.920 0.000) 3.792 7.832 ( 2.364 -1.258 -0.000) 2.678 8.033 ( -0.334 1.097 0.000) 1.147 8.770 ( 0.239 3.704 0.000) 3.711 8.834 ( -1.416 0.234 0.000) 1.435 8.954 ( -1.122 1.323 0.000) 1.735 9.066 ( -4.184 2.091 0.000) 4.677 9.140 ( 0.427 0.121 -0.000) 0.444 9.245 ( 2.394 -1.471 -0.000) 2.810 10.147 ( -3.950 4.655 0.000) 6.105 10.486 ( 4.591 -3.928 -0.000) 6.042 ======================= Grid point 203 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -11.435 16.623 0.000) 20.176 0.820 ( -10.458 13.476 0.000) 17.058 1.624 ( -13.196 20.087 0.000) 24.033 1.686 ( 0.328 -1.284 -0.000) 1.325 1.829 ( 4.440 -0.458 -0.000) 4.463 1.929 ( -4.237 -1.761 0.000) 4.588 2.207 ( -1.988 -1.590 0.000) 2.546 2.295 ( 4.634 -0.881 -0.000) 4.717 2.484 ( -0.794 -1.762 0.000) 1.933 2.868 ( -5.031 7.991 0.000) 9.443 3.078 ( 13.185 -14.717 -0.000) 19.759 3.528 ( 4.673 -3.015 -0.000) 5.561 3.930 ( 8.534 -13.667 -0.000) 16.113 4.201 ( 7.071 -1.526 -0.000) 7.234 5.209 ( 8.905 -8.962 -0.000) 12.633 7.429 ( -2.309 2.492 0.000) 3.397 7.528 ( -4.314 4.056 0.000) 5.921 7.903 ( 1.265 0.728 -0.000) 1.460 8.004 ( -0.700 0.098 0.000) 0.707 8.604 ( -4.465 4.487 0.000) 6.330 8.764 ( -1.978 0.525 0.000) 2.047 8.799 ( -5.803 7.526 0.000) 9.503 8.869 ( -1.482 2.785 0.000) 3.155 9.152 ( 0.719 0.456 -0.000) 0.852 9.308 ( 0.297 -0.771 -0.000) 0.826 9.927 ( -2.865 4.698 0.000) 5.503 10.698 ( 3.138 -3.570 -0.000) 4.753 ======================= Grid point 213 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -0.000 14.937 0.000) 14.937 0.603 ( -0.000 19.021 0.000) 19.021 1.359 ( -0.000 33.132 0.000) 33.132 1.681 ( 0.000 -1.033 -0.000) 1.033 1.827 ( 0.000 -2.955 -0.000) 2.955 1.973 ( 0.000 -2.939 -0.000) 2.939 2.120 ( 0.000 -0.042 -0.000) 0.042 2.369 ( 0.000 -1.138 -0.000) 1.138 2.572 ( 0.000 -1.714 -0.000) 1.714 2.759 ( -0.000 4.644 0.000) 4.644 3.294 ( 0.000 -15.715 -0.000) 15.715 3.617 ( 0.000 -4.522 -0.000) 4.522 4.120 ( 0.000 -10.691 -0.000) 10.691 4.242 ( 0.000 -6.390 -0.000) 6.390 5.401 ( 0.000 -9.742 -0.000) 9.742 7.364 ( -0.000 2.319 0.000) 2.319 7.473 ( -0.000 5.637 0.000) 5.637 7.924 ( -0.000 1.315 0.000) 1.315 7.989 ( 0.000 -0.125 -0.000) 0.125 8.500 ( -0.000 5.070 0.000) 5.070 8.710 ( -0.000 10.288 0.000) 10.288 8.730 ( -0.000 0.872 0.000) 0.872 8.843 ( -0.000 3.464 0.000) 3.464 9.170 ( 0.000 -0.232 -0.000) 0.232 9.307 ( 0.000 -0.201 -0.000) 0.201 9.881 ( -0.000 4.780 0.000) 4.780 10.749 ( 0.000 -3.768 -0.000) 3.768 ======================= Grid point 214 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -7.882 13.997 1.218) 16.110 0.830 ( -4.398 19.690 0.720) 20.188 1.664 ( -1.382 5.991 -1.979) 6.459 1.719 ( -3.652 18.672 3.555) 19.355 1.823 ( -4.291 -2.594 -1.740) 5.307 1.900 ( 4.528 -2.451 1.318) 5.315 2.154 ( -2.860 -1.107 0.709) 3.147 2.340 ( 1.991 -1.482 -0.596) 2.552 2.503 ( 4.671 0.098 -1.792) 5.004 2.861 ( -5.107 7.759 -0.208) 9.291 3.079 ( 6.314 -17.915 -0.251) 18.997 3.549 ( 2.639 -4.624 -0.380) 5.337 3.931 ( 7.876 -14.043 0.020) 16.101 4.202 ( -1.973 -6.552 -0.060) 6.843 5.249 ( 6.866 -9.862 -0.116) 12.017 7.408 ( -2.559 2.404 -0.088) 3.512 7.537 ( -0.930 5.801 0.026) 5.875 7.928 ( 0.921 0.970 -0.063) 1.339 7.995 ( -0.700 0.025 0.172) 0.722 8.582 ( -3.663 5.206 0.037) 6.366 8.751 ( -0.958 0.866 1.043) 1.660 8.822 ( -1.848 9.627 -0.323) 9.808 8.882 ( -0.597 3.266 0.375) 3.341 9.164 ( 0.437 -0.134 0.102) 0.468 9.301 ( 0.068 -0.624 -0.587) 0.860 9.944 ( -1.370 5.679 0.260) 5.848 10.695 ( 1.507 -4.472 -0.641) 4.763 ======================= Grid point 215 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -9.724 14.268 0.967) 17.293 1.117 ( -8.691 17.962 -0.740) 19.968 1.676 ( 0.061 0.224 0.646) 0.687 1.794 ( -0.749 -1.998 -1.998) 2.923 1.826 ( 2.702 -1.714 1.574) 3.566 2.030 ( -4.566 9.744 0.510) 10.773 2.181 ( -1.420 -1.531 0.597) 2.172 2.280 ( 1.878 1.330 -1.243) 2.615 2.454 ( -0.194 1.978 -1.032) 2.240 2.763 ( 10.741 -17.528 -1.046) 20.584 3.063 ( -7.849 12.639 -0.316) 14.881 3.448 ( 3.651 -4.615 -0.551) 5.911 3.631 ( 10.208 -17.248 -0.006) 20.043 4.159 ( 1.928 -3.199 -0.183) 3.739 5.014 ( 8.966 -10.845 -0.145) 14.073 7.479 ( -2.968 2.691 -0.185) 4.011 7.608 ( -1.851 4.380 -0.072) 4.756 7.909 ( 1.823 -0.322 0.009) 1.852 8.014 ( -0.963 0.731 0.140) 1.217 8.701 ( -4.320 5.251 -0.041) 6.800 8.788 ( -1.482 0.664 1.225) 2.034 8.919 ( -1.472 2.801 -0.054) 3.165 8.942 ( -1.972 6.476 0.293) 6.776 9.156 ( 0.563 -0.079 -0.020) 0.568 9.283 ( 0.464 -1.189 -0.801) 1.507 10.035 ( -2.677 5.953 0.431) 6.541 10.607 ( 2.923 -4.895 -1.313) 5.850 ======================= Grid point 216 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -8.185 13.750 -0.046) 16.002 1.420 ( -10.740 14.284 -3.080) 18.135 1.682 ( 1.287 0.709 2.549) 2.942 1.771 ( 0.243 -0.978 0.080) 1.011 1.784 ( 1.670 -0.860 -2.219) 2.908 2.017 ( 5.777 -0.841 -0.039) 5.838 2.184 ( -0.616 -2.353 0.697) 2.530 2.312 ( -1.674 0.977 -1.330) 2.351 2.407 ( 11.857 -14.199 -1.815) 18.587 2.585 ( -11.980 4.074 0.275) 12.657 3.282 ( 7.022 -12.976 -0.293) 14.757 3.334 ( -2.707 5.346 -0.469) 6.010 3.354 ( 0.212 -0.510 -0.261) 0.611 4.062 ( 10.477 4.317 -0.256) 11.334 4.791 ( 2.829 -13.470 -0.205) 13.766 7.540 ( -0.878 3.143 -0.099) 3.264 7.676 ( -2.997 2.013 -0.369) 3.629 7.864 ( 2.584 -1.749 0.067) 3.121 8.039 ( -0.713 1.281 0.152) 1.474 8.800 ( -1.602 4.604 -0.282) 4.883 8.829 ( -1.637 0.900 1.166) 2.202 8.955 ( -0.620 1.488 0.163) 1.620 9.034 ( -3.148 3.263 0.411) 4.553 9.144 ( 0.567 -0.085 -0.292) 0.643 9.250 ( 1.229 -1.615 -0.933) 2.234 10.144 ( -3.481 5.423 0.591) 6.471 10.492 ( 3.866 -4.912 -1.780) 6.500 ======================= Grid point 217 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 3.824 6.805 -2.444) 8.180 1.619 ( -3.781 4.874 -3.793) 7.242 1.658 ( 7.143 -0.339 0.952) 7.214 1.735 ( -1.485 2.056 -1.061) 2.749 1.811 ( -3.575 4.644 1.061) 5.956 1.916 ( 7.260 -3.642 -0.721) 8.154 2.155 ( -3.389 -2.004 0.510) 3.971 2.207 ( -1.049 -2.857 0.340) 3.062 2.327 ( -1.171 -0.534 -0.803) 1.517 2.826 ( -9.700 -5.419 -0.077) 11.112 2.998 ( 0.724 -9.923 -0.587) 9.967 3.294 ( -0.742 -3.048 -0.908) 3.265 3.490 ( 4.008 4.481 0.004) 6.012 3.967 ( 8.791 15.931 -0.111) 18.196 4.693 ( -7.059 -13.285 -0.579) 15.055 7.560 ( 1.809 2.676 0.162) 3.234 7.734 ( -2.660 0.576 -0.600) 2.787 7.798 ( 2.505 -2.598 0.048) 3.609 8.060 ( -0.159 1.235 0.137) 1.253 8.834 ( 1.311 3.001 -0.091) 3.276 8.861 ( 0.046 0.813 0.813) 1.151 8.966 ( 0.478 0.761 -0.519) 1.038 9.114 ( -2.812 0.977 0.824) 3.089 9.129 ( 0.486 -0.362 -0.251) 0.656 9.201 ( 1.655 -1.478 -1.053) 2.456 10.232 ( 0.223 3.320 -0.631) 3.387 10.390 ( 0.228 -3.373 -0.513) 3.419 ======================= Grid point 218 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 13.995 1.040 -4.628) 14.777 1.448 ( 17.218 -2.163 -2.297) 17.505 1.643 ( -0.677 0.309 -2.204) 2.326 1.753 ( 0.524 0.535 1.727) 1.883 1.805 ( 0.655 -1.661 -0.446) 1.840 1.963 ( -4.403 6.519 2.208) 8.170 2.208 ( -1.715 -1.111 0.853) 2.214 2.321 ( 0.304 -0.721 0.298) 0.837 2.412 ( -19.305 2.840 -0.041) 19.512 2.616 ( 10.497 -9.680 -1.890) 14.403 3.241 ( -21.952 -0.239 -0.411) 21.957 3.293 ( 4.431 -0.810 -0.614) 4.546 3.315 ( 8.460 -0.394 -0.264) 8.474 4.068 ( -1.241 10.974 0.052) 11.044 4.757 ( -12.881 -6.320 -1.052) 14.387 7.537 ( 3.467 1.277 0.348) 3.711 7.703 ( 4.258 -1.389 0.158) 4.481 7.798 ( -3.067 -0.422 -0.608) 3.155 8.066 ( 0.513 0.652 -0.095) 0.835 8.809 ( 4.627 1.718 0.206) 4.940 8.863 ( 0.710 -0.096 0.745) 1.033 8.947 ( 1.290 0.073 -1.438) 1.934 9.059 ( 5.371 -1.361 -0.653) 5.579 9.155 ( 0.550 0.515 -0.920) 1.189 9.204 ( -3.402 -0.363 1.243) 3.640 10.154 ( 6.336 -0.540 -2.849) 6.968 10.452 ( -6.071 0.331 1.943) 6.383 ======================= Grid point 219 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 15.073 0.000 -5.110) 15.916 1.108 ( 18.898 0.000 -4.300) 19.381 1.631 ( 1.898 0.000 0.277) 1.918 1.777 ( -1.427 -0.000 0.724) 1.600 1.788 ( 0.824 0.000 -0.229) 0.855 2.075 ( -3.052 -0.000 2.483) 3.934 2.174 ( 12.515 0.000 1.449) 12.599 2.277 ( -1.158 -0.000 0.700) 1.353 2.438 ( 2.133 0.000 -2.858) 3.566 2.780 ( -22.982 -0.000 -0.178) 22.983 3.050 ( 14.200 0.000 0.631) 14.214 3.363 ( -5.477 -0.000 -1.366) 5.645 3.600 ( -22.052 -0.000 -0.249) 22.054 4.158 ( -3.466 -0.000 0.029) 3.466 4.947 ( -14.374 -0.000 -1.151) 14.420 7.485 ( 3.777 0.000 0.332) 3.791 7.619 ( 5.514 0.000 0.428) 5.531 7.836 ( -2.347 -0.000 -0.489) 2.397 8.055 ( 0.974 0.000 -0.464) 1.078 8.732 ( 5.906 0.000 0.485) 5.925 8.846 ( 2.131 0.000 0.739) 2.256 8.908 ( 1.774 0.000 -2.366) 2.957 8.931 ( 8.505 0.000 -0.724) 8.536 9.143 ( 0.236 0.000 -0.898) 0.929 9.261 ( -2.311 -0.000 1.389) 2.696 10.026 ( 6.049 0.000 -2.801) 6.666 10.572 ( -6.198 -0.000 2.118) 6.550 ======================= Grid point 224 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -0.000 14.112 3.473) 14.533 0.640 ( -0.000 16.386 4.644) 17.031 1.375 ( -0.000 31.231 1.772) 31.281 1.700 ( -0.000 -0.328 2.573) 2.594 1.800 ( 0.000 -2.508 -3.358) 4.191 1.994 ( -0.000 -3.345 2.527) 4.192 2.135 ( -0.000 -0.381 1.770) 1.810 2.364 ( 0.000 -1.819 -0.572) 1.907 2.526 ( 0.000 -0.477 -5.634) 5.654 2.759 ( -0.000 4.660 0.054) 4.660 3.294 ( 0.000 -16.068 -0.003) 16.068 3.610 ( 0.000 -4.587 -0.830) 4.661 4.120 ( 0.000 -10.688 0.068) 10.689 4.242 ( 0.000 -6.450 -0.041) 6.450 5.400 ( 0.000 -9.883 -0.164) 9.884 7.363 ( -0.000 2.332 -0.143) 2.336 7.474 ( -0.000 5.626 0.066) 5.627 7.922 ( -0.000 1.302 -0.200) 1.318 7.993 ( -0.000 -0.245 0.540) 0.593 8.501 ( -0.000 5.067 0.135) 5.068 8.706 ( -0.000 10.192 -0.457) 10.202 8.751 ( -0.000 0.209 2.422) 2.431 8.850 ( -0.000 3.202 1.012) 3.358 9.173 ( -0.000 -0.245 0.321) 0.404 9.295 ( 0.000 0.166 -1.597) 1.606 9.887 ( -0.000 4.579 0.688) 4.631 10.740 ( 0.000 -3.847 -1.057) 3.990 ======================= Grid point 225 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -7.121 13.268 3.301) 15.416 0.853 ( -3.609 16.495 2.246) 17.033 1.638 ( -2.028 9.822 -1.410) 10.128 1.769 ( -1.972 -1.944 -2.391) 3.658 1.796 ( -4.402 13.478 3.525) 14.610 1.936 ( 4.322 -2.613 3.100) 5.926 2.170 ( -2.309 -1.270 1.180) 2.887 2.322 ( 1.806 -2.537 -1.800) 3.597 2.453 ( 3.201 1.697 -4.293) 5.618 2.856 ( -4.731 7.742 -0.348) 9.080 3.072 ( 6.407 -18.442 -0.763) 19.538 3.538 ( 2.350 -4.822 -1.025) 5.461 3.931 ( 7.898 -14.080 0.052) 16.144 4.200 ( -1.979 -6.674 -0.153) 6.963 5.245 ( 6.701 -10.077 -0.280) 12.105 7.406 ( -2.495 2.436 -0.232) 3.494 7.537 ( -0.842 5.854 0.022) 5.914 7.926 ( 0.768 0.962 -0.158) 1.241 7.999 ( -0.629 -0.257 0.443) 0.811 8.584 ( -3.570 5.229 0.113) 6.332 8.777 ( -0.684 0.528 1.998) 2.177 8.815 ( -2.081 9.102 -0.318) 9.343 8.893 ( -0.484 3.197 1.003) 3.385 9.167 ( 0.616 -0.141 0.243) 0.677 9.284 ( -0.215 -0.434 -1.599) 1.671 9.951 ( -1.489 5.273 0.697) 5.524 10.677 ( 1.581 -4.580 -1.601) 5.103 ======================= Grid point 226 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -6.649 16.188 -1.524) 17.567 1.131 ( -9.820 12.707 2.501) 16.252 1.686 ( -0.698 1.628 0.393) 1.814 1.752 ( -1.511 -2.043 -3.175) 4.067 1.860 ( 4.020 -1.826 2.724) 5.188 2.041 ( -2.829 7.127 0.785) 7.708 2.184 ( -0.391 0.123 -0.518) 0.661 2.258 ( 0.021 -0.429 -1.469) 1.531 2.437 ( -1.535 3.661 -0.926) 4.076 2.741 ( 10.688 -18.222 -1.750) 21.198 3.057 ( -7.862 12.639 -0.438) 14.891 3.436 ( 3.295 -4.890 -0.971) 5.975 3.631 ( 10.218 -17.309 -0.002) 20.100 4.155 ( 1.899 -3.368 -0.285) 3.877 5.011 ( 8.776 -11.033 -0.220) 14.099 7.475 ( -2.991 2.731 -0.314) 4.062 7.606 ( -1.553 4.560 -0.153) 4.819 7.909 ( 1.622 -0.504 0.060) 1.700 8.016 ( -0.982 0.515 0.219) 1.131 8.701 ( -4.123 5.283 0.017) 6.701 8.811 ( -1.171 0.472 1.734) 2.145 8.921 ( -2.288 3.081 0.451) 3.864 8.946 ( -1.458 5.695 0.154) 5.881 9.155 ( 0.795 -0.114 -0.073) 0.806 9.266 ( 0.183 -1.157 -1.441) 1.857 10.044 ( -2.955 5.445 0.709) 6.236 10.580 ( 3.009 -4.943 -2.081) 6.150 ======================= Grid point 227 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -9.614 13.982 -4.154) 17.469 1.408 ( -7.510 11.091 1.223) 13.450 1.721 ( -1.120 2.274 -1.180) 2.796 1.730 ( 0.675 -0.610 -0.237) 0.940 1.790 ( 4.219 -2.074 1.697) 4.998 2.014 ( 4.523 -0.236 -0.318) 4.540 2.189 ( -1.102 -1.927 -0.361) 2.249 2.290 ( -2.434 -0.015 -1.310) 2.764 2.375 ( 11.219 -14.897 -2.252) 18.784 2.591 ( -11.531 4.207 0.573) 12.288 3.277 ( 6.301 -11.583 -0.365) 13.191 3.326 ( -0.212 0.315 -0.544) 0.663 3.349 ( -1.799 2.817 -0.364) 3.362 4.058 ( 10.265 4.123 -0.297) 11.066 4.788 ( 2.911 -13.613 -0.241) 13.923 7.538 ( -1.100 3.224 -0.160) 3.411 7.669 ( -2.562 2.282 -0.473) 3.463 7.865 ( 2.361 -2.171 0.099) 3.209 8.041 ( -0.745 1.251 0.227) 1.473 8.798 ( -1.505 4.740 0.024) 4.973 8.849 ( -1.237 0.683 1.348) 1.953 8.957 ( -0.280 1.126 0.144) 1.169 9.041 ( -3.780 3.318 0.477) 5.052 9.139 ( 0.732 -0.164 -0.365) 0.835 9.232 ( 1.055 -1.682 -1.379) 2.417 10.154 ( -3.601 4.913 0.651) 6.126 10.461 ( 3.600 -4.832 -2.110) 6.384 ======================= Grid point 228 (93/171) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 6.245 5.204 -1.903) 8.348 1.560 ( -4.685 5.018 -3.808) 7.850 1.641 ( 4.491 -0.018 -2.503) 5.142 1.755 ( 0.426 0.044 2.875) 2.907 1.828 ( -4.070 6.271 1.009) 7.544 1.898 ( 7.081 -5.196 -1.357) 8.888 2.162 ( -2.998 -1.091 0.312) 3.206 2.210 ( -3.059 -2.171 -0.258) 3.760 2.313 ( -1.746 -0.623 -0.872) 2.049 2.827 ( -9.223 -5.720 0.128) 10.853 2.989 ( 1.042 -10.030 -0.558) 10.099 3.279 ( -0.726 -3.287 -0.945) 3.497 3.490 ( 3.758 4.466 -0.001) 5.837 3.966 ( 8.614 15.971 -0.075) 18.146 4.684 ( -6.800 -13.607 -0.572) 15.222 7.563 ( 1.669 2.888 0.145) 3.339 7.724 ( -2.695 0.715 -0.622) 2.857 7.799 ( 2.432 -3.005 0.003) 3.865 8.062 ( -0.009 1.244 0.220) 1.263 8.836 ( 1.572 3.347 0.338) 3.714 8.875 ( 0.046 0.565 0.886) 1.052 8.957 ( 0.946 0.395 -0.569) 1.173 9.116 ( 0.776 -0.220 -0.385) 0.894 9.134 ( -2.826 1.005 0.726) 3.086 9.183 ( 0.944 -1.709 -1.251) 2.318 10.216 ( 2.422 1.646 -1.377) 3.236 10.388 ( -2.425 -1.970 0.212) 3.132 ======================= Grid point 229 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 14.532 0.075 -3.330) 14.909 1.410 ( 18.516 -2.782 -2.429) 18.880 1.608 ( -2.177 0.355 -2.092) 3.040 1.782 ( -0.634 0.609 0.803) 1.191 1.801 ( 0.539 -0.970 1.036) 1.518 1.997 ( -4.526 6.337 2.041) 8.050 2.212 ( -2.493 -0.678 -0.510) 2.633 2.322 ( -0.187 -0.156 -0.088) 0.259 2.410 ( -18.986 2.907 -0.165) 19.208 2.595 ( 11.899 -10.903 -0.844) 16.161 3.235 ( -22.109 -0.294 -0.342) 22.114 3.282 ( -2.040 -1.531 -0.782) 2.667 3.314 ( 14.739 0.152 0.080) 14.740 4.069 ( -1.186 11.154 0.074) 11.217 4.741 ( -12.777 -6.653 -0.863) 14.431 7.542 ( 3.479 1.424 0.293) 3.770 7.704 ( 3.784 -1.563 0.029) 4.094 7.789 ( -2.999 -0.407 -0.484) 3.065 8.065 ( 0.855 0.639 -0.003) 1.067 8.814 ( 4.537 1.768 0.422) 4.888 8.876 ( 0.943 0.186 0.819) 1.263 8.927 ( 1.930 -0.269 -1.087) 2.231 9.049 ( 5.527 -1.387 -0.690) 5.740 9.139 ( 0.358 0.055 -1.035) 1.097 9.221 ( -3.712 0.004 0.932) 3.827 10.113 ( 6.463 -0.841 -2.343) 6.926 10.480 ( -6.521 0.491 1.587) 6.729 ======================= Grid point 230 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 15.715 0.000 -3.103) 16.018 1.052 ( 20.607 0.000 -2.815) 20.798 1.635 ( -1.677 -0.000 0.304) 1.704 1.784 ( 0.834 0.000 -0.235) 0.866 1.785 ( 3.751 0.000 0.333) 3.766 2.106 ( -3.209 -0.000 1.487) 3.537 2.200 ( 10.397 0.000 1.934) 10.575 2.266 ( -0.059 0.000 -1.937) 1.938 2.412 ( 0.923 0.000 -0.588) 1.094 2.778 ( -23.232 -0.000 -0.131) 23.233 3.059 ( 14.119 0.000 0.469) 14.127 3.345 ( -5.433 -0.000 -0.890) 5.506 3.596 ( -22.182 -0.000 -0.155) 22.183 4.159 ( -3.385 -0.000 0.040) 3.385 4.932 ( -14.390 -0.000 -0.724) 14.409 7.489 ( 3.823 0.000 0.214) 3.829 7.624 ( 5.291 0.000 0.208) 5.295 7.830 ( -2.470 -0.000 -0.298) 2.488 8.049 ( 1.315 0.000 -0.254) 1.340 8.739 ( 5.858 0.000 0.389) 5.871 8.859 ( 2.186 0.000 0.879) 2.356 8.877 ( 2.682 0.000 -1.486) 3.066 8.920 ( 8.493 0.000 -0.731) 8.524 9.131 ( 0.033 0.000 -0.689) 0.689 9.277 ( -2.410 -0.000 0.737) 2.520 9.991 ( 5.958 0.000 -1.742) 6.207 10.599 ( -6.231 -0.000 1.328) 6.371 ======================= Grid point 231 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 16.010 0.000 -0.000) 16.010 1.029 ( 21.256 0.000 -0.000) 21.256 1.638 ( -3.942 -0.000 0.000) 3.942 1.782 ( 0.789 0.000 -0.000) 0.789 1.787 ( 7.374 0.000 -0.000) 7.374 2.118 ( -3.232 -0.000 0.000) 3.232 2.230 ( -2.010 -0.000 0.000) 2.010 2.233 ( 11.537 0.000 -0.000) 11.537 2.410 ( 0.196 0.000 -0.000) 0.196 2.777 ( -23.336 -0.000 0.000) 23.336 3.063 ( 14.081 0.000 -0.000) 14.081 3.338 ( -5.423 -0.000 0.000) 5.423 3.595 ( -22.233 -0.000 0.000) 22.233 4.159 ( -3.355 -0.000 0.000) 3.355 4.926 ( -14.397 -0.000 0.000) 14.397 7.491 ( 3.841 0.000 -0.000) 3.841 7.625 ( 5.203 0.000 -0.000) 5.203 7.828 ( -2.517 -0.000 0.000) 2.517 8.047 ( 1.452 0.000 -0.000) 1.452 8.742 ( 5.870 0.000 -0.000) 5.870 8.866 ( 3.032 0.000 -0.000) 3.032 8.867 ( 1.944 0.000 -0.000) 1.944 8.913 ( 8.754 0.000 -0.000) 8.754 9.125 ( -0.046 -0.000 0.000) 0.046 9.283 ( -2.442 -0.000 0.000) 2.442 9.977 ( 5.921 0.000 -0.000) 5.921 10.609 ( -6.256 -0.000 0.000) 6.256 ======================= Grid point 235 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -0.000 12.251 5.617) 13.478 0.737 ( -0.000 10.475 7.767) 13.040 1.401 ( -0.000 26.309 1.352) 26.344 1.734 ( 0.000 -1.658 -5.051) 5.316 1.758 ( -0.000 1.894 4.993) 5.340 2.036 ( -0.000 -3.083 2.595) 4.030 2.166 ( -0.000 -0.931 2.167) 2.359 2.351 ( 0.000 -4.108 -1.374) 4.332 2.417 ( 0.000 2.355 -7.836) 8.182 2.760 ( -0.000 4.701 0.088) 4.702 3.293 ( 0.000 -16.948 -0.206) 16.950 3.593 ( 0.000 -4.757 -1.349) 4.945 4.121 ( 0.000 -10.682 0.109) 10.682 4.241 ( 0.000 -6.616 -0.066) 6.616 5.397 ( 0.000 -10.267 -0.200) 10.269 7.360 ( -0.000 2.365 -0.229) 2.376 7.474 ( -0.000 5.684 -0.025) 5.684 7.918 ( 0.000 1.268 -0.319) 1.308 8.004 ( -0.000 -0.559 0.863) 1.028 8.504 ( -0.000 5.056 0.213) 5.061 8.698 ( -0.000 10.015 -0.574) 10.031 8.784 ( -0.000 0.991 1.333) 1.661 8.881 ( -0.000 1.060 3.091) 3.268 9.179 ( -0.000 -0.279 0.517) 0.588 9.262 ( 0.000 0.780 -2.523) 2.641 9.901 ( -0.000 4.043 1.152) 4.204 10.720 ( 0.000 -4.170 -1.499) 4.432 ======================= Grid point 236 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -1.973 11.556 3.615) 12.268 0.902 ( -6.442 11.496 4.368) 13.883 1.618 ( -2.262 10.773 -1.307) 11.085 1.700 ( -2.515 -1.251 -5.045) 5.774 1.876 ( -2.306 10.305 5.496) 11.904 1.988 ( 3.725 -2.181 3.652) 5.654 2.181 ( -0.367 -0.721 -0.070) 0.812 2.283 ( 1.160 -3.470 -3.416) 5.006 2.390 ( 0.543 3.232 -3.271) 4.630 2.852 ( -4.278 7.666 -0.193) 8.781 3.057 ( 6.553 -19.399 -1.176) 20.509 3.519 ( 1.937 -5.126 -1.323) 5.638 3.932 ( 7.930 -14.141 0.064) 16.213 4.197 ( -1.999 -6.880 -0.185) 7.167 5.241 ( 6.468 -10.418 -0.309) 12.266 7.402 ( -2.384 2.489 -0.288) 3.459 7.537 ( -0.718 5.977 -0.053) 6.020 7.924 ( 0.505 0.960 -0.183) 1.101 8.007 ( -0.513 -0.712 0.554) 1.038 8.586 ( -3.461 5.255 0.165) 6.294 8.796 ( -1.434 4.382 0.339) 4.623 8.819 ( -1.393 5.797 0.714) 6.004 8.916 ( -0.291 1.578 2.067) 2.617 9.171 ( 0.947 -0.124 0.196) 0.975 9.255 ( -0.678 -0.240 -2.118) 2.237 9.964 ( -1.672 4.613 0.892) 4.987 10.650 ( 1.730 -4.838 -1.856) 5.463 ======================= Grid point 237 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -4.988 12.744 -1.468) 13.764 1.178 ( -9.225 11.488 3.485) 15.140 1.662 ( -1.367 0.482 -3.798) 4.065 1.727 ( -1.702 1.666 0.267) 2.397 1.906 ( 4.741 -1.602 3.157) 5.917 2.049 ( -0.398 2.907 0.194) 2.941 2.158 ( 0.267 2.404 -2.671) 3.603 2.242 ( -2.366 -2.222 -0.636) 3.308 2.432 ( -2.814 5.250 0.323) 5.966 2.712 ( 10.621 -19.222 -1.909) 22.044 3.050 ( -7.895 12.640 -0.352) 14.907 3.420 ( 2.893 -5.203 -1.076) 6.050 3.631 ( 10.217 -17.376 0.007) 20.157 4.151 ( 1.851 -3.588 -0.274) 4.047 5.008 ( 8.562 -11.246 -0.203) 14.135 7.470 ( -2.995 2.784 -0.331) 4.103 7.604 ( -1.218 4.769 -0.200) 4.926 7.911 ( 1.383 -0.693 0.118) 1.552 8.020 ( -1.016 0.250 0.213) 1.068 8.702 ( -3.992 5.352 0.131) 6.678 8.835 ( -0.982 0.805 1.250) 1.782 8.931 ( -3.247 4.699 0.562) 5.739 8.950 ( -0.631 2.937 0.597) 3.062 9.153 ( 1.020 -0.152 -0.180) 1.047 9.242 ( -0.118 -1.097 -1.668) 2.000 10.055 ( -3.275 4.815 0.720) 5.868 10.548 ( 3.131 -5.036 -2.031) 6.268 ======================= Grid point 238 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -9.668 12.192 -3.416) 15.931 1.437 ( -5.766 10.042 2.445) 11.835 1.653 ( -0.455 1.025 -4.812) 4.941 1.759 ( -0.240 0.034 1.290) 1.313 1.831 ( 4.743 -0.596 3.463) 5.903 2.007 ( 3.724 -0.128 -0.618) 3.777 2.168 ( -1.815 -0.827 -2.224) 2.987 2.279 ( -3.212 -1.758 -0.251) 3.670 2.343 ( 10.640 -15.337 -1.833) 18.756 2.601 ( -10.953 4.141 0.663) 11.729 3.272 ( 5.678 -10.452 -0.291) 11.898 3.318 ( 1.347 -3.348 -0.466) 3.639 3.344 ( -2.987 5.045 -0.287) 5.871 4.054 ( 10.038 3.918 -0.225) 10.778 4.785 ( 3.004 -13.737 -0.184) 14.063 7.535 ( -1.324 3.295 -0.159) 3.554 7.663 ( -2.155 2.537 -0.398) 3.352 7.867 ( 2.211 -2.577 0.103) 3.397 8.045 ( -0.813 1.246 0.211) 1.503 8.800 ( -1.537 4.979 0.311) 5.220 8.866 ( -0.807 0.875 0.837) 1.455 8.960 ( 0.090 0.267 0.369) 0.464 9.048 ( -4.365 3.353 0.337) 5.514 9.134 ( 0.803 -0.261 -0.308) 0.898 9.210 ( 0.940 -1.700 -1.378) 2.382 10.163 ( -3.518 4.311 0.430) 5.581 10.432 ( 3.159 -4.671 -1.600) 5.861 ======================= Grid point 239 (101/171) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 6.230 4.032 -0.756) 7.459 1.510 ( -2.668 4.634 -2.535) 5.918 1.604 ( 1.528 0.484 -1.947) 2.522 1.797 ( 1.232 0.125 2.157) 2.487 1.837 ( 1.853 0.195 0.015) 1.863 1.887 ( 0.913 -0.564 0.175) 1.087 2.160 ( -2.293 -0.496 -0.642) 2.432 2.199 ( -4.518 -1.015 -0.750) 4.691 2.306 ( -2.197 -1.500 -0.010) 2.660 2.830 ( -9.073 -5.754 0.182) 10.745 2.982 ( 1.455 -10.210 -0.330) 10.319 3.267 ( -0.726 -3.487 -0.612) 3.614 3.490 ( 3.554 4.467 -0.002) 5.708 3.965 ( 8.455 15.992 -0.030) 18.089 4.677 ( -6.576 -13.862 -0.349) 15.347 7.564 ( 1.532 3.063 0.079) 3.426 7.716 ( -2.674 0.825 -0.394) 2.826 7.798 ( 2.373 -3.336 -0.016) 4.094 8.066 ( 0.097 1.261 0.175) 1.277 8.843 ( 1.789 3.675 0.548) 4.124 8.885 ( 0.184 0.871 0.351) 0.957 8.951 ( 1.078 -0.407 -0.191) 1.168 9.111 ( 1.170 -0.347 -0.315) 1.261 9.141 ( -1.374 0.746 0.044) 1.564 9.168 ( -1.176 -1.410 -0.585) 1.927 10.196 ( 3.809 0.399 -1.112) 3.988 10.393 ( -4.166 -0.947 0.384) 4.290 ======================= Grid point 240 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 14.930 -0.612 -1.199) 14.990 1.382 ( 18.958 -3.092 -1.070) 19.238 1.585 ( -2.785 0.410 -0.812) 2.930 1.778 ( -1.750 -0.316 -0.339) 1.810 1.829 ( 0.760 0.393 1.396) 1.637 2.020 ( -4.423 6.149 0.856) 7.623 2.196 ( -2.509 -0.016 -0.975) 2.692 2.322 ( -0.616 -0.537 0.128) 0.827 2.409 ( -18.824 2.931 -0.069) 19.051 2.588 ( 12.412 -11.300 -0.139) 16.786 3.231 ( -22.204 -0.334 -0.132) 22.207 3.273 ( -3.476 -1.779 -0.334) 3.919 3.316 ( 16.024 0.304 0.064) 16.027 4.070 ( -1.152 11.273 0.036) 11.331 4.732 ( -12.707 -6.868 -0.332) 14.448 7.545 ( 3.483 1.526 0.114) 3.805 7.704 ( 3.485 -1.676 -0.012) 3.867 7.784 ( -2.948 -0.404 -0.183) 2.981 8.066 ( 1.072 0.633 0.016) 1.245 8.820 ( 4.643 1.817 0.268) 4.993 8.884 ( 1.163 0.864 0.241) 1.469 8.917 ( 2.049 -0.952 -0.278) 2.276 9.040 ( 5.682 -1.430 -0.343) 5.870 9.127 ( 0.116 -0.163 -0.461) 0.503 9.231 ( -3.781 0.143 0.333) 3.798 10.088 ( 6.528 -0.998 -0.901) 6.665 10.497 ( -6.790 0.559 0.608) 6.840 ======================= Grid point 246 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -0.000 10.349 5.886) 11.906 0.865 ( -0.000 4.110 8.758) 9.675 1.407 ( -0.000 21.649 -0.762) 21.663 1.654 ( 0.000 -0.851 -5.164) 5.234 1.846 ( -0.000 3.861 6.310) 7.398 2.066 ( -0.000 -1.283 1.254) 1.794 2.197 ( -0.000 -1.323 1.716) 2.167 2.274 ( 0.000 0.044 -7.977) 7.977 2.353 ( 0.000 -1.794 -0.985) 2.046 2.762 ( -0.000 4.751 0.088) 4.752 3.288 ( 0.000 -18.059 -0.426) 18.064 3.572 ( 0.000 -4.971 -1.358) 5.153 4.123 ( 0.000 -10.673 0.109) 10.674 4.240 ( 0.000 -6.832 -0.068) 6.832 5.394 ( 0.000 -10.738 -0.153) 10.739 7.356 ( -0.000 2.405 -0.225) 2.415 7.473 ( -0.000 5.819 -0.133) 5.821 7.913 ( 0.000 1.226 -0.312) 1.266 8.018 ( -0.000 -0.962 0.880) 1.303 8.507 ( -0.000 5.044 0.207) 5.048 8.690 ( -0.000 10.015 -0.445) 10.025 8.793 ( -0.000 2.416 0.097) 2.418 8.935 ( -0.000 -1.007 3.631) 3.768 9.187 ( -0.000 -0.321 0.514) 0.606 9.222 ( 0.000 1.056 -2.646) 2.849 9.920 ( -0.000 3.370 1.186) 3.573 10.698 ( 0.000 -4.659 -1.341) 4.849 ======================= Grid point 247 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.431 5.560 3.461) 6.563 0.971 ( -6.657 10.171 4.269) 12.884 1.597 ( -2.292 10.592 -1.526) 10.944 1.627 ( -2.433 1.784 -4.276) 5.234 1.953 ( -0.818 5.856 4.556) 7.465 2.041 ( 2.270 -1.280 3.060) 4.019 2.159 ( 3.118 0.153 -3.023) 4.346 2.230 ( -0.901 -1.499 -2.791) 3.294 2.363 ( -1.654 2.283 -0.540) 2.870 2.850 ( -4.012 7.642 -0.034) 8.632 3.038 ( 6.686 -20.548 -1.175) 21.641 3.500 ( 1.587 -5.421 -1.115) 5.758 3.933 ( 7.959 -14.202 0.051) 16.280 4.195 ( -2.031 -7.093 -0.147) 7.380 5.237 ( 6.264 -10.742 -0.225) 12.437 7.398 ( -2.266 2.542 -0.234) 3.413 7.536 ( -0.611 6.123 -0.101) 6.154 7.921 ( 0.226 0.974 -0.139) 1.010 8.015 ( -0.390 -1.168 0.467) 1.317 8.588 ( -3.398 5.282 0.152) 6.282 8.798 ( -2.175 7.367 0.109) 7.682 8.825 ( -0.836 3.993 -0.014) 4.079 8.952 ( -0.059 -0.314 2.505) 2.526 9.171 ( 1.289 -0.023 -0.169) 1.300 9.224 ( -1.119 -0.215 -1.747) 2.086 9.976 ( -1.847 3.953 0.741) 4.425 10.624 ( 1.903 -5.158 -1.426) 5.679 ======================= Grid point 248 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -3.628 9.458 -0.805) 10.162 1.229 ( -9.045 10.706 2.977) 14.328 1.601 ( -0.899 -0.171 -3.583) 3.699 1.737 ( -2.412 4.667 0.654) 5.294 1.953 ( 5.299 -1.164 2.989) 6.194 2.044 ( 1.921 0.501 -1.021) 2.233 2.117 ( -1.131 1.484 -2.291) 2.955 2.234 ( -3.354 -1.618 -0.402) 3.745 2.443 ( -3.393 6.016 0.896) 6.964 2.686 ( 10.550 -20.279 -1.338) 22.899 3.046 ( -7.946 12.643 -0.176) 14.934 3.405 ( 2.607 -5.441 -0.722) 6.076 3.631 ( 10.207 -17.424 0.009) 20.194 4.147 ( 1.803 -3.774 -0.164) 4.186 5.005 ( 8.404 -11.402 -0.117) 14.165 7.466 ( -2.982 2.829 -0.211) 4.116 7.601 ( -0.975 4.923 -0.148) 5.021 7.913 ( 1.194 -0.809 0.104) 1.446 8.022 ( -1.043 0.032 0.131) 1.052 8.704 ( -3.976 5.448 0.145) 6.747 8.848 ( -0.826 1.388 0.483) 1.685 8.934 ( -3.856 6.557 -0.060) 7.607 8.966 ( -0.072 -0.168 1.215) 1.229 9.150 ( 1.055 -0.202 -0.259) 1.105 9.219 ( -0.246 -0.994 -1.166) 1.552 10.064 ( -3.513 4.304 0.448) 5.574 10.522 ( 3.236 -5.130 -1.231) 6.189 ======================= Grid point 249 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -9.643 11.138 -1.284) 14.788 1.477 ( -4.778 10.144 2.286) 11.444 1.588 ( -0.678 0.395 -3.184) 3.279 1.771 ( 0.856 -0.772 0.315) 1.195 1.879 ( 3.926 0.949 2.183) 4.591 1.997 ( 3.504 -0.340 -0.559) 3.565 2.136 ( -2.381 -0.784 -1.458) 2.900 2.278 ( -3.830 -2.475 0.046) 4.560 2.323 ( 10.350 -15.435 -0.709) 18.597 2.609 ( -10.541 3.981 0.301) 11.271 3.268 ( 5.407 -10.004 -0.108) 11.372 3.313 ( 1.763 -4.732 -0.194) 5.053 3.341 ( -3.293 5.799 -0.102) 6.669 4.052 ( 9.890 3.785 -0.083) 10.590 4.783 ( 3.068 -13.804 -0.068) 14.141 7.533 ( -1.461 3.332 -0.067) 3.639 7.658 ( -1.920 2.683 -0.157) 3.303 7.868 ( 2.157 -2.813 0.047) 3.545 8.047 ( -0.873 1.253 0.087) 1.530 8.805 ( -1.627 5.271 0.207) 5.520 8.873 ( -0.496 1.126 0.167) 1.242 8.967 ( 0.299 -0.546 0.320) 0.700 9.051 ( -4.661 3.350 0.106) 5.741 9.131 ( 0.738 -0.332 -0.133) 0.820 9.194 ( 0.930 -1.658 -0.612) 1.997 10.167 ( -3.325 3.870 0.133) 5.104 10.415 ( 2.757 -4.507 -0.577) 5.315 ======================= Grid point 250 (107/171) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -6.385 6.581 0.000) 9.169 1.485 ( 11.024 1.345 -0.000) 11.105 1.589 ( 0.378 0.729 -0.000) 0.821 1.814 ( -2.070 4.263 0.000) 4.739 1.833 ( 8.770 -8.535 -0.000) 12.238 1.893 ( -2.833 3.651 0.000) 4.622 2.151 ( -2.032 -0.434 0.000) 2.077 2.194 ( -4.945 -0.486 0.000) 4.969 2.307 ( -2.423 -1.877 0.000) 3.065 2.831 ( -9.080 -5.715 0.000) 10.729 2.980 ( 1.659 -10.304 -0.000) 10.437 3.262 ( -0.728 -3.566 -0.000) 3.640 3.490 ( 3.475 4.471 -0.000) 5.662 3.965 ( 8.391 15.996 -0.000) 18.064 4.674 ( -6.488 -13.958 0.000) 15.392 7.565 ( 1.474 3.129 -0.000) 3.459 7.713 ( -2.658 0.866 0.000) 2.796 7.798 ( 2.357 -3.461 -0.000) 4.187 8.067 ( 0.132 1.270 0.000) 1.277 8.849 ( 1.955 3.944 -0.000) 4.402 8.887 ( 0.195 1.013 0.000) 1.032 8.950 ( 1.071 -0.864 -0.000) 1.376 9.108 ( 1.216 -0.356 -0.000) 1.267 9.139 ( 0.193 -0.024 -0.000) 0.195 9.165 ( -2.882 -0.681 0.000) 2.962 10.187 ( 4.224 -0.009 -0.000) 4.224 10.396 ( -4.713 -0.627 0.000) 4.755 ======================= Grid point 257 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.000 9.004 3.978) 9.843 0.988 ( 0.000 -1.939 6.851) 7.120 1.381 ( 0.000 20.674 -2.304) 20.802 1.586 ( 0.000 -0.252 -3.507) 3.516 1.940 ( 0.000 4.015 5.606) 6.895 2.077 ( -0.000 0.493 0.350) 0.605 2.161 ( 0.000 2.086 -6.373) 6.705 2.217 ( 0.000 -1.535 0.920) 1.789 2.344 ( -0.000 -3.333 -0.370) 3.354 2.763 ( -0.000 4.792 0.054) 4.792 3.281 ( -0.000 -19.041 -0.370) 19.045 3.555 ( -0.000 -5.147 -0.843) 5.216 4.125 ( 0.000 -10.666 0.067) 10.666 4.239 ( -0.000 -7.011 -0.044) 7.011 5.392 ( -0.000 -11.103 -0.079) 11.104 7.353 ( 0.000 2.437 -0.138) 2.441 7.471 ( -0.000 5.934 -0.122) 5.935 7.909 ( 0.000 1.193 -0.190) 1.208 8.029 ( -0.000 -1.300 0.560) 1.416 8.510 ( 0.000 5.033 0.125) 5.035 8.684 ( -0.000 10.186 -0.232) 10.189 8.792 ( 0.000 2.805 -0.129) 2.808 8.983 ( 0.000 -1.562 2.429) 2.888 9.186 ( -0.000 1.010 -1.903) 2.155 9.194 ( -0.000 -0.355 0.316) 0.475 9.935 ( -0.000 2.825 0.745) 2.922 10.681 ( 0.000 -5.066 -0.779) 5.125 ======================= Grid point 258 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 1.743 1.287 1.533) 2.654 1.020 ( -6.621 9.364 1.869) 11.620 1.570 ( -0.762 0.591 -1.559) 1.833 1.586 ( -4.017 14.104 -1.017) 14.700 2.012 ( 0.045 2.804 2.883) 4.021 2.076 ( 0.831 -0.839 1.421) 1.848 2.104 ( 3.600 0.701 -3.220) 4.880 2.203 ( -0.335 0.104 -0.829) 0.900 2.363 ( -2.555 2.011 0.142) 3.255 2.850 ( -3.944 7.698 0.012) 8.650 3.024 ( 6.771 -21.424 -0.514) 22.475 3.488 ( 1.402 -5.601 -0.437) 5.791 3.934 ( 7.975 -14.239 0.019) 16.321 4.193 ( -2.057 -7.228 -0.056) 7.515 5.234 ( 6.150 -10.933 -0.081) 12.544 7.395 ( -2.190 2.575 -0.090) 3.381 7.534 ( -0.552 6.218 -0.052) 6.242 7.920 ( 0.047 0.989 -0.051) 0.992 8.020 ( -0.309 -1.448 0.185) 1.492 8.590 ( -3.382 5.302 0.062) 6.289 8.800 ( -2.481 9.104 0.136) 9.437 8.822 ( -0.652 2.721 -0.202) 2.806 8.983 ( 0.087 -1.120 1.176) 1.626 9.166 ( 1.142 0.138 -0.389) 1.214 9.207 ( -1.041 -0.316 -0.518) 1.205 9.985 ( -1.950 3.546 0.287) 4.057 10.609 ( 2.016 -5.373 -0.530) 5.764 ======================= Grid point 259 (110/171) ======================= q-point: ( 0.80 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -3.092 8.116 0.000) 8.685 1.255 ( -9.205 10.520 0.000) 13.978 1.570 ( -0.441 -0.305 0.000) 0.536 1.742 ( -2.727 5.663 0.000) 6.285 1.984 ( 6.435 -1.550 -0.000) 6.619 2.027 ( 1.980 1.598 -0.000) 2.544 2.099 ( -1.999 -0.473 0.000) 2.054 2.231 ( -3.635 -1.120 0.000) 3.803 2.451 ( -3.507 6.277 0.000) 7.191 2.676 ( 10.526 -20.822 -0.000) 23.332 3.045 ( -7.974 12.644 0.000) 14.949 3.400 ( 2.508 -5.529 -0.000) 6.071 3.631 ( 10.201 -17.442 -0.000) 20.206 4.146 ( 1.783 -3.847 -0.000) 4.240 5.004 ( 8.347 -11.458 -0.000) 14.176 7.464 ( -2.973 2.847 0.000) 4.116 7.600 ( -0.888 4.978 0.000) 5.057 7.914 ( 1.123 -0.843 -0.000) 1.404 8.023 ( -1.052 -0.053 0.000) 1.053 8.705 ( -3.993 5.499 0.000) 6.795 8.851 ( -0.707 1.614 0.000) 1.762 8.933 ( -4.031 6.645 0.000) 7.771 8.977 ( 0.054 -0.755 -0.000) 0.757 9.147 ( 0.973 -0.236 -0.000) 1.001 9.210 ( -0.218 -0.920 -0.000) 0.945 10.068 ( -3.599 4.108 0.000) 5.461 10.512 ( 3.276 -5.169 -0.000) 6.120 ======================= Grid point 265 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 16.608 0.000 4.177) 17.125 1.182 ( 14.586 0.000 5.389) 15.550 1.627 ( 3.142 0.000 -0.156) 3.145 1.761 ( -1.478 -0.000 -1.310) 1.975 1.789 ( 0.376 0.000 -0.136) 0.400 2.035 ( -2.558 -0.000 -2.543) 3.607 2.160 ( 10.127 0.000 -0.306) 10.132 2.252 ( 0.214 0.000 -2.105) 2.115 2.488 ( 3.113 0.000 3.191) 4.458 2.783 ( -22.713 -0.000 0.139) 22.713 3.041 ( 14.274 0.000 -0.501) 14.283 3.383 ( -5.547 -0.000 1.306) 5.699 3.604 ( -21.897 -0.000 0.246) 21.898 4.158 ( -3.564 -0.000 0.013) 3.564 4.965 ( -14.355 -0.000 1.127) 14.399 7.480 ( 3.723 0.000 -0.313) 3.736 7.611 ( 5.771 0.000 -0.533) 5.796 7.844 ( -2.198 -0.000 0.497) 2.253 8.062 ( 0.574 0.000 0.532) 0.783 8.725 ( 6.070 0.000 -0.412) 6.084 8.838 ( 1.882 0.000 -0.311) 1.907 8.941 ( 8.715 0.000 0.507) 8.730 8.946 ( 0.681 -0.000 2.553) 2.642 9.156 ( 0.480 0.000 0.704) 0.852 9.236 ( -2.136 -0.000 -1.749) 2.761 10.070 ( 6.157 0.000 2.774) 6.753 10.539 ( -6.215 -0.000 -2.086) 6.556 ======================= Grid point 269 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -0.000 8.518 0.000) 8.518 1.047 ( 0.000 -5.808 0.000) 5.808 1.357 ( -0.000 22.239 -0.000) 22.239 1.557 ( 0.000 -0.022 0.000) 0.022 1.995 ( -0.000 3.585 0.000) 3.585 2.081 ( -0.000 0.319 0.000) 0.319 2.099 ( -0.000 3.458 -0.000) 3.458 2.224 ( 0.000 -1.600 0.000) 1.600 2.341 ( 0.000 -3.317 0.000) 3.317 2.763 ( -0.000 4.807 0.000) 4.807 3.278 ( 0.000 -19.448 0.000) 19.448 3.548 ( 0.000 -5.215 -0.000) 5.215 4.125 ( 0.000 -10.663 0.000) 10.663 4.239 ( 0.000 -7.080 -0.000) 7.080 5.392 ( 0.000 -11.239 0.000) 11.239 7.352 ( -0.000 2.449 0.000) 2.449 7.470 ( -0.000 5.975 0.000) 5.975 7.908 ( -0.000 1.181 0.000) 1.181 8.034 ( 0.000 -1.432 0.000) 1.432 8.511 ( -0.000 5.029 0.000) 5.029 8.683 ( -0.000 10.288 0.000) 10.288 8.790 ( -0.000 2.839 0.000) 2.839 9.002 ( 0.000 -1.623 0.000) 1.623 9.170 ( -0.000 0.945 0.000) 0.945 9.196 ( 0.000 -0.367 0.000) 0.367 9.941 ( -0.000 2.617 0.000) 2.617 10.675 ( 0.000 -5.219 0.000) 5.219 ======================= Grid point 276 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 13.889 1.893 4.271) 14.654 1.477 ( 14.843 -1.405 1.636) 14.999 1.664 ( 2.595 0.617 0.326) 2.688 1.744 ( -0.413 0.403 0.542) 0.792 1.802 ( 0.890 -2.670 -0.995) 2.985 1.937 ( -3.308 6.563 -0.968) 7.413 2.194 ( -0.622 -0.913 -0.818) 1.374 2.311 ( 1.162 -2.444 -0.904) 2.854 2.411 ( -20.093 3.136 -0.187) 20.337 2.647 ( 8.840 -8.320 1.917) 12.290 3.246 ( -21.789 -0.189 0.322) 21.792 3.299 ( 13.940 0.006 0.136) 13.940 3.322 ( -0.919 -1.011 0.602) 1.493 4.068 ( -1.292 10.807 -0.009) 10.884 4.771 ( -12.977 -6.005 0.839) 14.324 7.532 ( 3.451 1.150 -0.270) 3.647 7.700 ( 4.711 -1.227 -0.226) 4.874 7.807 ( -3.119 -0.449 0.499) 3.190 8.068 ( 0.188 0.672 0.149) 0.713 8.807 ( 4.955 1.640 -0.006) 5.219 8.854 ( 0.431 -0.059 -0.405) 0.594 8.969 ( 0.371 0.185 1.328) 1.392 9.068 ( 5.288 -1.346 0.437) 5.474 9.163 ( -0.544 1.288 -0.067) 1.400 9.188 ( -1.756 -1.091 -0.597) 2.152 10.194 ( 6.143 -0.136 2.244) 6.541 10.425 ( -5.566 0.064 -1.540) 5.775 ======================= Grid point 277 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 14.429 -0.000 2.624) 14.665 1.253 ( 14.567 -0.000 3.615) 15.009 1.626 ( 1.892 0.000 -0.043) 1.892 1.740 ( 2.888 -0.000 -1.273) 3.156 1.784 ( -0.692 -0.000 -0.466) 0.834 2.003 ( -1.715 0.000 -1.537) 2.303 2.163 ( 5.234 -0.000 0.624) 5.271 2.221 ( 2.416 0.000 -1.822) 3.026 2.527 ( 4.052 0.000 1.815) 4.440 2.785 ( -22.522 0.000 0.068) 22.523 3.035 ( 14.329 0.000 -0.256) 14.331 3.400 ( -5.608 -0.000 0.789) 5.664 3.607 ( -21.776 0.000 0.151) 21.776 4.158 ( -3.640 -0.000 0.029) 3.641 4.979 ( -14.340 -0.000 0.684) 14.356 7.476 ( 3.683 0.000 -0.185) 3.688 7.604 ( 5.962 0.000 -0.378) 5.974 7.850 ( -2.080 -0.000 0.312) 2.103 8.069 ( 0.265 -0.000 0.363) 0.450 8.720 ( 6.261 -0.000 -0.243) 6.265 8.836 ( 1.651 0.000 -0.041) 1.652 8.947 ( 8.922 0.000 0.244) 8.926 8.981 ( -0.211 -0.000 1.843) 1.855 9.164 ( 0.672 -0.000 0.363) 0.764 9.211 ( -1.912 0.000 -1.404) 2.372 10.105 ( 6.241 -0.000 1.699) 6.468 10.513 ( -6.269 0.000 -1.276) 6.398 ======================= Grid point 287 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 1.273 7.484 2.187) 7.901 1.631 ( 3.667 2.289 -1.913) 4.727 1.668 ( -1.428 4.785 2.356) 5.521 1.759 ( 3.832 1.234 0.695) 4.086 1.806 ( -3.702 2.506 1.001) 4.581 1.916 ( 4.819 -1.388 -0.734) 5.068 2.149 ( -3.789 -2.893 -0.325) 4.779 2.205 ( 1.349 -2.868 0.057) 3.170 2.334 ( -0.471 -1.127 0.089) 1.225 2.828 ( -10.280 -4.994 0.145) 11.430 3.006 ( 0.589 -9.916 0.377) 9.941 3.305 ( -0.775 -2.855 0.552) 3.010 3.490 ( 4.211 4.510 -0.006) 6.171 3.969 ( 8.919 15.887 0.088) 18.219 4.700 ( -7.256 -13.019 0.360) 14.909 7.558 ( 1.900 2.509 -0.107) 3.150 7.741 ( -2.536 0.465 0.356) 2.603 7.797 ( 2.512 -2.285 -0.052) 3.396 8.058 ( -0.291 1.243 -0.042) 1.277 8.837 ( 0.500 2.054 0.277) 2.132 8.851 ( 0.799 1.982 -0.472) 2.188 8.972 ( -0.218 0.794 0.269) 0.866 9.101 ( -3.238 1.036 -0.718) 3.474 9.134 ( 1.084 -0.610 0.272) 1.273 9.214 ( 1.973 -1.269 0.557) 2.411 10.236 ( -1.425 4.353 -0.004) 4.580 10.400 ( 2.259 -4.192 0.698) 4.813 ======================= Grid point 288 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 13.303 0.501 0.702) 13.331 1.509 ( 14.126 1.001 1.993) 14.301 1.659 ( 4.707 1.599 -0.497) 4.996 1.758 ( -1.129 0.010 0.918) 1.455 1.782 ( -0.147 -3.357 -1.196) 3.567 1.932 ( -1.592 6.073 -0.039) 6.279 2.185 ( 0.246 -0.432 -0.277) 0.569 2.299 ( 1.759 -4.013 -0.498) 4.410 2.408 ( -20.945 3.624 -0.121) 21.256 2.668 ( 7.914 -7.626 0.769) 11.017 3.250 ( -21.687 -0.161 0.121) 21.687 3.300 ( 16.795 0.207 0.018) 16.796 3.330 ( -3.722 -1.076 0.273) 3.884 4.068 ( -1.322 10.709 0.005) 10.791 4.780 ( -13.032 -5.819 0.318) 14.276 7.529 ( 3.439 1.081 -0.100) 3.606 7.697 ( 4.979 -1.134 -0.108) 5.108 7.812 ( -3.145 -0.471 0.192) 3.185 8.070 ( -0.005 0.689 0.073) 0.693 8.808 ( 5.281 1.561 0.025) 5.507 8.850 ( 0.206 0.043 -0.117) 0.241 8.984 ( -0.354 0.240 0.594) 0.732 9.072 ( 5.256 -1.328 0.150) 5.424 9.156 ( -2.237 1.055 -0.448) 2.514 9.186 ( 0.364 -0.871 0.068) 0.946 10.218 ( 5.946 0.212 0.834) 6.008 10.408 ( -5.180 -0.201 -0.572) 5.215 ======================= Grid point 289 (117/171) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 13.470 0.000 0.000) 13.470 1.282 ( 14.712 0.000 0.000) 14.712 1.626 ( 0.592 0.000 0.000) 0.592 1.729 ( 5.815 0.000 0.000) 5.815 1.780 ( -1.390 -0.000 0.000) 1.390 1.991 ( -1.232 -0.000 0.000) 1.232 2.171 ( 1.199 0.000 0.000) 1.199 2.204 ( 5.087 0.000 -0.000) 5.087 2.541 ( 4.453 0.000 0.000) 4.453 2.785 ( -22.456 -0.000 0.000) 22.456 3.034 ( 14.351 0.000 0.000) 14.351 3.406 ( -5.632 -0.000 0.000) 5.632 3.608 ( -21.730 -0.000 0.000) 21.730 4.159 ( -3.669 -0.000 0.000) 3.669 4.984 ( -14.334 -0.000 0.000) 14.334 7.475 ( 3.668 0.000 0.000) 3.668 7.601 ( 6.030 0.000 0.000) 6.030 7.853 ( -2.035 -0.000 0.000) 2.035 8.072 ( 0.150 0.000 0.000) 0.150 8.718 ( 6.343 0.000 0.000) 6.343 8.836 ( 1.556 0.000 0.000) 1.556 8.948 ( 9.010 0.000 0.000) 9.010 8.996 ( -0.575 -0.000 0.000) 0.575 9.167 ( 0.744 0.000 0.000) 0.744 9.199 ( -1.784 -0.000 0.000) 1.784 10.119 ( 6.272 0.000 0.000) 6.272 10.502 ( -6.299 -0.000 0.000) 6.299 ======================= Grid point 298 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -8.916 13.790 -0.122) 16.422 1.459 ( -11.286 16.103 1.447) 19.717 1.655 ( 2.158 0.332 -0.906) 2.364 1.766 ( 0.063 -0.982 -0.153) 0.996 1.810 ( 0.532 -0.887 0.838) 1.331 2.017 ( 6.839 -1.396 -0.006) 6.980 2.175 ( -0.466 -2.184 -0.370) 2.263 2.326 ( -1.212 1.175 0.485) 1.756 2.426 ( 12.314 -13.711 0.690) 18.441 2.582 ( -12.196 3.927 -0.064) 12.813 3.285 ( 7.461 -13.859 0.111) 15.740 3.340 ( -4.910 9.435 0.200) 10.638 3.357 ( 2.115 -3.520 0.079) 4.108 4.065 ( 10.599 4.433 0.102) 11.489 4.794 ( 2.785 -13.373 0.081) 13.660 7.541 ( -0.745 3.086 0.031) 3.175 7.680 ( -3.276 1.845 0.139) 3.762 7.863 ( 2.757 -1.488 -0.024) 3.133 8.037 ( -0.711 1.315 -0.050) 1.496 8.805 ( -1.832 4.677 0.335) 5.035 8.815 ( -1.778 1.059 -0.604) 2.156 8.952 ( -0.759 1.555 -0.098) 1.733 9.030 ( -2.789 3.218 -0.162) 4.261 9.148 ( 0.443 -0.048 0.111) 0.459 9.260 ( 1.354 -1.559 0.323) 2.090 10.138 ( -3.335 5.707 -0.237) 6.614 10.511 ( 3.973 -4.938 0.693) 6.375 ======================= Grid point 299 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 4.178 0.263 -0.000) 4.186 1.607 ( -2.034 11.240 0.000) 11.423 1.686 ( 0.009 5.094 0.000) 5.094 1.759 ( 5.206 -0.587 -0.000) 5.239 1.823 ( -2.417 2.136 0.000) 3.225 1.906 ( 2.916 -0.280 -0.000) 2.930 2.146 ( -3.912 -3.358 0.000) 5.156 2.206 ( 2.442 -2.653 -0.000) 3.606 2.334 ( -0.146 -1.497 -0.000) 1.505 2.830 ( -10.538 -4.797 0.000) 11.579 3.009 ( 0.560 -9.929 -0.000) 9.945 3.309 ( -0.793 -2.782 -0.000) 2.893 3.490 ( 4.290 4.526 -0.000) 6.236 3.969 ( 8.964 15.867 -0.000) 18.224 4.703 ( -7.328 -12.917 0.000) 14.851 7.557 ( 1.930 2.448 -0.000) 3.117 7.744 ( -2.452 0.424 0.000) 2.488 7.797 ( 2.485 -2.171 -0.000) 3.300 8.058 ( -0.343 1.249 0.000) 1.295 8.840 ( -1.081 0.329 0.000) 1.129 8.847 ( 2.407 3.846 -0.000) 4.537 8.974 ( -0.592 0.761 0.000) 0.964 9.095 ( -3.131 0.999 0.000) 3.287 9.136 ( 1.115 -0.650 -0.000) 1.291 9.218 ( 2.075 -1.189 -0.000) 2.392 10.236 ( -1.907 4.616 0.000) 4.995 10.406 ( 2.892 -4.377 -0.000) 5.246 ======================= Grid point 308 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -10.396 13.960 0.000) 17.406 1.124 ( -8.787 19.422 0.000) 21.318 1.671 ( 0.344 -0.255 -0.000) 0.428 1.808 ( 3.367 -1.721 -0.000) 3.781 1.816 ( -1.609 -1.543 0.000) 2.229 2.027 ( -5.172 10.252 0.000) 11.483 2.175 ( -1.664 -1.719 0.000) 2.392 2.290 ( 2.335 1.728 -0.000) 2.905 2.463 ( 0.354 1.299 0.000) 1.347 2.771 ( 10.767 -17.284 -0.000) 20.364 3.065 ( -7.846 12.638 0.000) 14.875 3.452 ( 3.794 -4.505 -0.000) 5.890 3.631 ( 10.202 -17.223 -0.000) 20.018 4.160 ( 1.936 -3.137 -0.000) 3.686 5.015 ( 9.043 -10.770 -0.000) 14.063 7.481 ( -2.955 2.676 0.000) 3.986 7.609 ( -1.972 4.310 0.000) 4.740 7.909 ( 1.903 -0.246 -0.000) 1.919 8.012 ( -0.958 0.815 0.000) 1.258 8.701 ( -4.418 5.242 0.000) 6.856 8.778 ( -1.641 0.833 0.000) 1.840 8.920 ( -0.818 2.445 0.000) 2.578 8.939 ( -2.464 6.947 0.000) 7.371 9.156 ( 0.468 -0.063 -0.000) 0.472 9.290 ( 0.574 -1.199 -0.000) 1.330 10.032 ( -2.567 6.146 0.000) 6.661 10.617 ( 2.894 -4.884 -0.000) 5.677 ======================= Grid point 318 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.000 13.701 0.000) 13.701 0.995 ( -0.000 21.900 0.000) 21.900 1.667 ( 0.000 -0.292 -0.000) 0.292 1.748 ( 0.000 -5.399 -0.000) 5.399 1.905 ( 0.000 -3.916 -0.000) 3.916 1.915 ( -0.000 23.180 0.000) 23.180 2.119 ( 0.000 -0.081 -0.000) 0.081 2.343 ( 0.000 -1.299 -0.000) 1.299 2.590 ( -0.000 5.778 0.000) 5.778 2.880 ( -0.000 8.163 0.000) 8.163 2.946 ( 0.000 -20.405 -0.000) 20.405 3.528 ( 0.000 -4.487 -0.000) 4.487 3.885 ( 0.000 -13.616 -0.000) 13.616 4.065 ( 0.000 -12.673 -0.000) 12.673 5.224 ( 0.000 -8.243 -0.000) 8.243 7.408 ( -0.000 2.191 0.000) 2.191 7.590 ( -0.000 6.295 0.000) 6.295 7.950 ( -0.000 1.333 0.000) 1.333 7.984 ( 0.000 -0.505 -0.000) 0.505 8.599 ( -0.000 5.017 0.000) 5.017 8.749 ( -0.000 1.084 0.000) 1.084 8.906 ( -0.000 9.849 0.000) 9.849 8.906 ( -0.000 2.996 0.000) 2.996 9.164 ( 0.000 -0.413 -0.000) 0.413 9.298 ( 0.000 -0.899 -0.000) 0.899 9.991 ( -0.000 6.540 0.000) 6.540 10.663 ( 0.000 -5.112 -0.000) 5.112 ======================= Grid point 319 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -7.971 12.685 0.693) 14.997 1.227 ( -2.954 21.553 -0.594) 21.762 1.671 ( -0.256 0.208 0.416) 0.531 1.718 ( -3.365 -6.130 -0.821) 7.041 1.845 ( 2.975 -3.126 0.956) 4.421 2.090 ( -0.547 9.788 0.007) 9.803 2.135 ( -1.606 -0.880 0.276) 1.852 2.324 ( 0.778 0.160 -0.883) 1.188 2.600 ( 7.612 12.262 -0.891) 14.459 2.709 ( 4.493 -20.187 -0.479) 20.687 3.051 ( -8.290 12.256 -0.093) 14.797 3.464 ( 2.701 -3.969 -0.496) 4.827 3.636 ( 10.364 -16.626 -0.010) 19.592 4.025 ( -8.011 -12.136 -0.156) 14.542 5.083 ( 8.320 -7.003 -0.200) 10.877 7.450 ( -2.703 1.837 -0.066) 3.269 7.647 ( 0.097 5.481 0.117) 5.483 7.937 ( 1.945 -0.190 -0.109) 1.957 7.999 ( -1.573 0.454 -0.018) 1.637 8.676 ( -3.705 4.307 0.054) 5.681 8.768 ( -0.835 0.856 0.664) 1.368 8.933 ( -0.313 2.376 -0.277) 2.412 8.996 ( -0.130 7.927 0.164) 7.929 9.159 ( 0.184 -0.383 0.093) 0.435 9.282 ( 0.289 -1.434 -0.502) 1.546 10.064 ( -1.148 6.651 0.000) 6.749 10.599 ( 1.369 -5.364 -0.667) 5.576 ======================= Grid point 320 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -11.020 11.978 0.604) 16.287 1.473 ( -5.164 17.886 -2.706) 18.812 1.684 ( -0.097 0.692 1.120) 1.320 1.722 ( -4.769 -5.354 -1.026) 7.243 1.783 ( 2.273 -2.026 1.277) 3.302 2.097 ( 4.002 -0.288 -0.604) 4.058 2.144 ( -0.831 -2.059 0.264) 2.236 2.318 ( -0.297 0.601 -1.481) 1.626 2.424 ( 6.643 -16.779 -1.920) 18.148 2.619 ( 5.087 14.061 0.131) 14.953 3.275 ( 6.362 -11.496 -0.143) 13.140 3.345 ( -4.065 7.314 -0.243) 8.371 3.369 ( 3.481 -2.934 -0.640) 4.597 4.066 ( -8.586 -6.591 -0.371) 10.830 4.831 ( 13.651 -7.456 -0.214) 15.557 7.520 ( -3.807 1.487 -0.152) 4.090 7.688 ( 0.403 3.789 0.212) 3.816 7.890 ( 2.570 -1.460 -0.303) 2.971 8.031 ( -1.469 0.898 0.007) 1.722 8.787 ( -4.820 3.414 -0.019) 5.906 8.800 ( -1.511 0.562 0.934) 1.863 8.956 ( -0.532 1.355 -0.126) 1.461 9.055 ( 0.549 4.882 0.106) 4.914 9.152 ( 0.347 -0.257 -0.040) 0.433 9.255 ( 0.548 -1.701 -0.807) 1.961 10.150 ( -2.180 5.727 0.047) 6.128 10.509 ( 2.699 -4.991 -1.320) 5.825 ======================= Grid point 321 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -5.355 7.583 -1.202) 9.361 1.654 ( -4.299 6.066 -4.000) 8.442 1.699 ( 1.652 0.876 3.059) 3.585 1.756 ( -3.333 0.413 -0.328) 3.375 1.782 ( -4.263 2.107 -2.397) 5.325 2.001 ( 6.141 -0.146 0.456) 6.159 2.100 ( 2.813 -8.189 0.998) 8.716 2.193 ( 3.055 -4.776 -2.479) 6.187 2.315 ( -0.595 -0.320 -1.067) 1.263 2.714 ( -2.981 9.177 -0.017) 9.649 2.971 ( 8.235 -14.507 -0.123) 16.682 3.285 ( 2.102 -1.960 -0.855) 2.999 3.541 ( -3.248 6.187 -0.151) 6.989 4.188 ( -5.919 8.257 -0.585) 10.176 4.528 ( 10.260 -12.402 -0.160) 16.096 7.584 ( -1.999 1.265 -0.050) 2.366 7.713 ( -0.472 1.650 0.092) 1.718 7.826 ( 3.026 -1.749 -0.494) 3.530 8.059 ( -0.924 0.660 0.129) 1.143 8.832 ( -1.313 0.289 0.891) 1.613 8.878 ( -2.092 2.174 -0.356) 3.038 8.976 ( -0.660 0.692 0.142) 0.967 9.079 ( -0.356 1.358 0.474) 1.482 9.141 ( 0.629 -0.191 -0.289) 0.718 9.222 ( 1.068 -1.046 -1.073) 1.840 10.242 ( -3.172 4.234 0.373) 5.303 10.400 ( 3.876 -4.068 -1.873) 5.923 ======================= Grid point 322 (125/171) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 8.863 0.000 -4.219) 9.816 1.633 ( 2.285 0.000 -0.114) 2.287 1.671 ( 2.819 0.000 -1.463) 3.176 1.797 ( -0.597 0.000 -2.278) 2.355 1.832 ( 10.313 0.000 -1.229) 10.386 1.896 ( -6.845 -0.000 1.480) 7.003 2.151 ( -12.370 -0.000 1.688) 12.484 2.167 ( -1.402 -0.000 -0.368) 1.450 2.318 ( -0.484 -0.000 -0.152) 0.507 2.735 ( 8.960 0.000 -0.687) 8.987 2.928 ( -15.609 -0.000 -0.456) 15.616 3.261 ( -1.177 -0.000 -1.054) 1.580 3.527 ( 8.373 0.000 -0.006) 8.373 4.201 ( 10.893 0.000 0.181) 10.894 4.491 ( -15.413 -0.000 -1.043) 15.448 7.591 ( 2.113 0.000 0.343) 2.141 7.748 ( -2.969 -0.000 -0.386) 2.994 7.759 ( 3.504 0.000 -0.376) 3.524 8.072 ( -0.158 -0.000 0.138) 0.210 8.856 ( -0.599 -0.000 0.849) 1.039 8.880 ( 2.464 0.000 -0.309) 2.483 8.975 ( 1.053 0.000 -0.524) 1.177 9.117 ( 2.126 0.000 -0.426) 2.168 9.128 ( -3.874 -0.000 1.216) 4.060 9.186 ( 1.527 0.000 -1.298) 2.004 10.275 ( 5.916 0.000 -2.682) 6.495 10.346 ( -5.320 -0.000 1.374) 5.494 ======================= Grid point 329 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -0.000 13.221 2.026) 13.376 0.998 ( -0.000 20.783 0.357) 20.786 1.670 ( -0.000 0.544 0.315) 0.628 1.731 ( 0.000 -4.806 -2.154) 5.267 1.920 ( -0.000 1.864 1.662) 2.497 1.931 ( -0.000 15.372 2.116) 15.517 2.126 ( -0.000 -0.483 0.924) 1.043 2.330 ( 0.000 -1.477 -1.656) 2.219 2.564 ( 0.000 6.700 -3.137) 7.398 2.881 ( -0.000 8.188 0.109) 8.189 2.940 ( 0.000 -20.630 -0.793) 20.645 3.521 ( 0.000 -4.557 -0.999) 4.665 3.886 ( 0.000 -13.608 0.080) 13.608 4.063 ( 0.000 -12.792 -0.268) 12.795 5.220 ( 0.000 -8.298 -0.414) 8.308 7.407 ( -0.000 2.205 -0.109) 2.208 7.591 ( -0.000 6.370 0.144) 6.372 7.948 ( -0.000 1.319 -0.234) 1.339 7.985 ( -0.000 -0.687 0.181) 0.710 8.600 ( -0.000 5.018 0.131) 5.020 8.762 ( -0.000 0.763 1.617) 1.788 8.889 ( -0.000 6.649 -0.998) 6.724 8.923 ( -0.000 6.055 0.890) 6.120 9.166 ( -0.000 -0.429 0.285) 0.515 9.289 ( 0.000 -0.800 -1.161) 1.410 9.992 ( -0.000 6.328 0.172) 6.330 10.654 ( 0.000 -5.140 -1.212) 5.281 ======================= Grid point 330 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -7.758 11.933 1.944) 14.366 1.209 ( -2.271 20.197 -1.713) 20.397 1.680 ( -0.754 -0.770 -0.018) 1.078 1.698 ( -2.585 -3.484 -0.956) 4.442 1.872 ( 3.032 -3.497 2.564) 5.291 2.089 ( -0.473 7.958 -0.275) 7.977 2.142 ( -1.583 -1.515 0.607) 2.273 2.298 ( 0.672 0.046 -2.494) 2.583 2.576 ( 6.394 11.588 -1.925) 13.374 2.695 ( 4.966 -18.554 -1.410) 19.259 3.048 ( -8.031 12.278 -0.209) 14.673 3.449 ( 2.477 -4.107 -1.316) 4.973 3.636 ( 10.403 -16.677 -0.028) 19.656 4.021 ( -8.064 -12.279 -0.407) 14.696 5.077 ( 8.180 -7.044 -0.498) 10.807 7.448 ( -2.648 1.867 -0.174) 3.245 7.650 ( 0.203 5.719 0.270) 5.729 7.934 ( 1.899 -0.360 -0.255) 1.950 7.998 ( -1.653 0.227 -0.048) 1.669 8.677 ( -3.648 4.327 0.146) 5.661 8.787 ( -0.703 0.524 1.682) 1.897 8.928 ( -0.509 2.587 -0.233) 2.647 8.998 ( -0.106 7.448 0.015) 7.449 9.161 ( 0.346 -0.398 0.229) 0.575 9.268 ( 0.139 -1.359 -1.406) 1.961 10.064 ( -1.289 6.304 0.017) 6.434 10.581 ( 1.419 -5.370 -1.723) 5.815 ======================= Grid point 331 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -10.465 11.042 1.229) 15.263 1.416 ( -4.288 16.618 -4.425) 17.723 1.687 ( -4.123 -3.038 -2.005) 5.500 1.719 ( -0.680 0.417 1.755) 1.928 1.812 ( 3.126 -2.696 2.530) 4.841 2.084 ( 3.411 -0.428 -1.134) 3.620 2.147 ( -0.958 -2.267 0.059) 2.462 2.285 ( -0.942 0.623 -2.734) 2.958 2.386 ( 6.531 -17.232 -2.954) 18.663 2.622 ( 4.743 13.722 0.316) 14.521 3.272 ( 5.860 -10.527 -0.242) 12.050 3.339 ( -1.902 4.309 -0.550) 4.743 3.357 ( 1.453 -0.919 -0.869) 1.926 4.058 ( -8.587 -6.819 -0.599) 10.982 4.827 ( 13.455 -7.431 -0.316) 15.374 7.517 ( -3.799 1.518 -0.255) 4.099 7.692 ( 0.705 4.221 0.284) 4.289 7.885 ( 2.442 -1.933 -0.425) 3.143 8.031 ( -1.641 0.827 0.028) 1.838 8.787 ( -4.612 3.491 0.082) 5.785 8.819 ( -1.279 0.323 1.573) 2.053 8.955 ( -0.774 1.144 0.031) 1.382 9.056 ( 0.285 4.866 -0.135) 4.876 9.151 ( 0.618 -0.279 -0.112) 0.688 9.238 ( 0.368 -1.733 -1.421) 2.271 10.151 ( -2.528 5.443 0.083) 6.002 10.482 ( 2.769 -5.002 -2.114) 6.095 ======================= Grid point 332 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -3.394 5.345 -2.560) 6.830 1.589 ( -5.737 8.892 -3.268) 11.075 1.723 ( 1.190 0.360 -3.162) 3.398 1.756 ( 2.840 -0.516 3.919) 4.867 1.769 ( -7.350 1.555 0.399) 7.523 1.993 ( 6.505 -2.525 -1.785) 7.202 2.115 ( 1.973 -6.254 0.843) 6.612 2.160 ( 0.451 -3.871 -1.551) 4.194 2.291 ( -1.659 -0.074 -2.009) 2.607 2.714 ( -2.869 8.602 0.037) 9.068 2.969 ( 8.599 -14.233 -0.045) 16.629 3.270 ( 1.957 -2.020 -1.105) 3.022 3.538 ( -3.358 6.209 -0.185) 7.061 4.178 ( -6.383 7.775 -0.731) 10.086 4.526 ( 10.595 -12.080 -0.153) 16.069 7.583 ( -2.376 1.267 -0.114) 2.695 7.715 ( 0.221 2.231 0.120) 2.246 7.817 ( 2.719 -2.358 -0.612) 3.651 8.062 ( -1.000 0.658 0.224) 1.218 8.848 ( -0.996 0.528 1.267) 1.696 8.876 ( -1.786 1.761 0.126) 2.511 8.976 ( -0.490 0.705 -0.279) 0.902 9.087 ( -1.119 1.406 0.558) 1.882 9.136 ( 0.736 -0.167 -0.436) 0.872 9.202 ( 1.010 -1.183 -1.512) 2.169 10.247 ( -3.160 4.498 0.262) 5.504 10.369 ( 3.413 -4.480 -2.116) 6.017 ======================= Grid point 333 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 10.833 0.000 -3.370) 11.345 1.600 ( -1.682 0.000 -2.943) 3.389 1.673 ( 11.586 0.000 0.066) 11.586 1.750 ( -5.221 -0.000 -3.270) 6.161 1.819 ( 5.619 0.000 0.019) 5.619 1.927 ( -6.655 -0.000 2.053) 6.964 2.165 ( -2.307 -0.000 -0.063) 2.307 2.174 ( -10.350 -0.000 1.204) 10.420 2.307 ( -1.765 -0.000 -1.234) 2.154 2.727 ( 10.172 0.000 -0.223) 10.174 2.920 ( -15.595 -0.000 -0.500) 15.603 3.244 ( -1.062 -0.000 -1.087) 1.520 3.527 ( 8.119 0.000 -0.001) 8.119 4.204 ( 10.889 0.000 0.234) 10.892 4.474 ( -15.330 -0.000 -1.060) 15.366 7.596 ( 1.890 0.000 0.336) 1.920 7.742 ( -2.500 -0.000 -0.345) 2.524 7.752 ( 2.998 0.000 -0.497) 3.039 8.075 ( 0.003 -0.000 0.229) 0.229 8.872 ( -0.300 -0.000 1.200) 1.237 8.879 ( 2.286 0.000 0.244) 2.299 8.964 ( 1.557 0.000 -0.931) 1.814 9.111 ( 2.244 0.000 -0.461) 2.291 9.146 ( -4.173 -0.000 1.114) 4.319 9.163 ( 1.322 0.000 -1.624) 2.094 10.233 ( 6.106 0.000 -2.696) 6.675 10.368 ( -5.975 -0.000 1.360) 6.127 ======================= Grid point 340 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -0.000 11.965 3.476) 12.460 1.006 ( -0.000 17.472 0.730) 17.487 1.676 ( -0.000 2.903 0.402) 2.931 1.686 ( 0.000 -3.423 -3.527) 4.915 1.951 ( -0.000 7.747 2.329) 8.089 1.975 ( -0.000 4.283 3.394) 5.465 2.144 ( -0.000 -1.319 1.296) 1.850 2.294 ( 0.000 -1.850 -3.152) 3.655 2.505 ( 0.000 9.211 -4.275) 10.155 2.883 ( -0.000 8.254 0.176) 8.255 2.922 ( 0.000 -21.324 -1.535) 21.379 3.500 ( 0.000 -4.743 -1.627) 5.015 3.888 ( 0.000 -13.589 0.128) 13.590 4.057 ( 0.000 -13.106 -0.441) 13.113 5.212 ( 0.000 -8.448 -0.616) 8.471 7.405 ( -0.000 2.243 -0.174) 2.250 7.593 ( -0.000 6.578 0.176) 6.580 7.943 ( 0.000 1.282 -0.373) 1.335 7.989 ( -0.000 -1.136 0.302) 1.175 8.603 ( -0.000 5.019 0.206) 5.023 8.792 ( -0.000 0.445 2.040) 2.088 8.879 ( -0.000 6.981 -0.167) 6.983 8.933 ( -0.000 5.001 0.521) 5.028 9.172 ( -0.000 -0.469 0.460) 0.657 9.264 ( 0.000 -0.566 -2.069) 2.145 9.996 ( -0.000 5.772 0.307) 5.780 10.629 ( 0.000 -5.256 -1.886) 5.584 ======================= Grid point 341 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -7.519 10.617 2.740) 13.295 1.178 ( -1.270 17.511 -2.312) 17.708 1.647 ( -2.042 -2.983 -3.064) 4.739 1.713 ( -0.792 1.630 1.860) 2.597 1.919 ( 3.141 -3.659 3.493) 5.955 2.079 ( -0.445 4.841 -1.033) 4.970 2.150 ( -1.259 -2.139 0.398) 2.513 2.251 ( 0.417 -0.099 -3.561) 3.587 2.550 ( 4.827 10.588 -1.326) 11.712 2.667 ( 5.279 -16.484 -2.152) 17.442 3.045 ( -7.631 12.298 -0.198) 14.474 3.426 ( 2.141 -4.321 -1.665) 5.101 3.636 ( 10.453 -16.761 -0.037) 19.753 4.014 ( -8.151 -12.506 -0.503) 14.937 5.069 ( 7.966 -7.112 -0.567) 10.694 7.445 ( -2.555 1.918 -0.216) 3.202 7.654 ( 0.375 6.087 0.256) 6.104 7.930 ( 1.789 -0.589 -0.245) 1.899 7.997 ( -1.756 -0.138 -0.052) 1.762 8.680 ( -3.590 4.353 0.198) 5.646 8.815 ( -0.552 0.350 1.891) 2.000 8.930 ( -0.636 2.379 0.544) 2.522 8.994 ( -0.175 6.932 -0.520) 6.953 9.165 ( 0.645 -0.414 0.217) 0.797 9.241 ( -0.155 -1.235 -1.952) 2.315 10.064 ( -1.511 5.744 0.052) 5.940 10.551 ( 1.507 -5.410 -2.086) 5.991 ======================= Grid point 342 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -3.725 15.161 -4.290) 16.190 1.384 ( -9.923 9.869 1.782) 14.108 1.643 ( -3.694 -2.223 -3.436) 5.513 1.752 ( 0.133 0.965 2.103) 2.317 1.860 ( 3.710 -2.503 3.711) 5.814 2.063 ( 2.439 -0.770 -1.597) 3.016 2.143 ( -0.802 -2.279 -0.801) 2.546 2.240 ( -1.816 0.292 -2.928) 3.458 2.341 ( 6.353 -17.529 -2.784) 18.851 2.628 ( 4.252 13.193 0.446) 13.868 3.268 ( 5.199 -9.243 -0.254) 10.608 3.327 ( 1.726 -1.309 -0.972) 2.374 3.346 ( -1.963 3.401 -0.442) 3.952 4.049 ( -8.589 -7.104 -0.597) 11.162 4.822 ( 13.222 -7.390 -0.278) 15.149 7.513 ( -3.768 1.561 -0.266) 4.087 7.696 ( 1.045 4.735 0.184) 4.852 7.879 ( 2.323 -2.503 -0.306) 3.429 8.032 ( -1.879 0.763 0.043) 2.028 8.790 ( -4.547 3.567 0.237) 5.784 8.845 ( -1.022 0.258 1.660) 1.966 8.958 ( -0.645 0.706 0.281) 0.997 9.051 ( -0.278 4.813 -0.424) 4.840 9.148 ( 0.914 -0.354 -0.254) 1.013 9.214 ( 0.168 -1.701 -1.564) 2.317 10.152 ( -2.913 5.088 0.087) 5.863 10.449 ( 2.835 -5.023 -2.082) 6.132 ======================= Grid point 343 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -5.058 9.345 -3.755) 11.270 1.569 ( -3.312 3.536 -0.454) 4.866 1.673 ( 1.925 0.511 -3.028) 3.624 1.777 ( -6.545 2.332 0.466) 6.964 1.821 ( 2.862 -1.190 4.244) 5.255 1.953 ( 7.215 -5.616 -3.015) 9.627 2.125 ( 0.340 -3.285 0.383) 3.325 2.143 ( -0.917 -3.086 -0.833) 3.326 2.260 ( -2.611 -0.396 -1.905) 3.256 2.715 ( -2.827 7.852 0.059) 8.345 2.970 ( 8.928 -13.812 0.069) 16.446 3.254 ( 1.804 -2.083 -0.947) 2.914 3.535 ( -3.463 6.229 -0.149) 7.128 4.167 ( -6.831 7.269 -0.599) 9.994 4.524 ( 10.914 -11.735 -0.086) 16.026 7.581 ( -2.713 1.265 -0.131) 2.996 7.716 ( 0.834 2.913 0.063) 3.030 7.809 ( 2.501 -3.062 -0.445) 3.978 8.065 ( -1.110 0.663 0.224) 1.312 8.868 ( -0.891 1.344 1.183) 2.000 8.882 ( -1.595 1.077 0.667) 2.037 8.968 ( 0.037 0.435 -0.646) 0.779 9.095 ( -1.971 1.531 0.405) 2.529 9.129 ( 0.699 -0.278 -0.460) 0.882 9.179 ( 1.109 -1.277 -1.390) 2.189 10.248 ( -2.196 4.599 -0.156) 5.099 10.341 ( 2.025 -4.733 -1.342) 5.321 ======================= Grid point 344 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 12.150 0.000 -1.896) 12.297 1.562 ( -1.701 -0.000 -1.861) 2.521 1.660 ( 14.913 0.000 -1.298) 14.970 1.708 ( -7.373 -0.000 -2.006) 7.641 1.836 ( 2.014 0.000 1.755) 2.672 1.952 ( -7.473 -0.000 1.172) 7.565 2.160 ( -2.507 -0.000 -0.606) 2.579 2.187 ( -9.036 -0.000 0.610) 9.056 2.288 ( -2.628 -0.000 -0.996) 2.811 2.727 ( 10.872 0.000 0.114) 10.872 2.914 ( -15.612 -0.000 -0.332) 15.616 3.230 ( -0.991 -0.000 -0.701) 1.214 3.527 ( 7.901 0.000 0.002) 7.901 4.208 ( 10.884 0.000 0.170) 10.886 4.461 ( -15.258 -0.000 -0.664) 15.272 7.600 ( 1.643 0.000 0.200) 1.655 7.738 ( -2.048 -0.000 -0.187) 2.057 7.746 ( 2.612 0.000 -0.363) 2.637 8.079 ( 0.117 0.000 0.183) 0.217 8.886 ( 2.404 0.000 0.624) 2.483 8.890 ( -0.089 -0.000 1.017) 1.021 8.949 ( 1.594 0.000 -0.988) 1.875 9.104 ( 2.411 0.000 -0.308) 2.431 9.140 ( 1.097 0.000 -1.265) 1.674 9.160 ( -4.313 -0.000 0.647) 4.361 10.199 ( 6.270 0.000 -1.670) 6.488 10.385 ( -6.500 -0.000 0.835) 6.553 ======================= Grid point 345 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 12.617 0.000 -0.000) 12.617 1.547 ( -1.661 -0.000 0.000) 1.661 1.648 ( 15.338 0.000 -0.000) 15.338 1.693 ( -8.047 -0.000 0.000) 8.047 1.853 ( 1.373 0.000 -0.000) 1.373 1.961 ( -7.867 -0.000 0.000) 7.867 2.153 ( -2.411 -0.000 0.000) 2.411 2.192 ( -8.560 -0.000 0.000) 8.560 2.280 ( -2.981 -0.000 0.000) 2.981 2.728 ( 11.064 0.000 -0.000) 11.064 2.911 ( -15.626 -0.000 0.000) 15.626 3.224 ( -0.969 -0.000 0.000) 0.969 3.527 ( 7.815 0.000 -0.000) 7.815 4.209 ( 10.882 0.000 -0.000) 10.882 4.456 ( -15.229 -0.000 0.000) 15.229 7.602 ( 1.530 0.000 -0.000) 1.530 7.737 ( -1.855 -0.000 0.000) 1.855 7.743 ( 2.472 0.000 -0.000) 2.472 8.080 ( 0.155 0.000 -0.000) 0.155 8.892 ( 2.604 0.000 -0.000) 2.604 8.899 ( -0.020 -0.000 0.000) 0.020 8.940 ( 1.435 0.000 -0.000) 1.435 9.102 ( 2.539 0.000 -0.000) 2.539 9.129 ( 0.954 0.000 -0.000) 0.954 9.165 ( -4.349 -0.000 0.000) 4.349 10.185 ( 6.334 0.000 -0.000) 6.334 10.391 ( -6.700 -0.000 0.000) 6.700 ======================= Grid point 351 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.000 10.368 3.862) 11.064 1.019 ( -0.000 12.578 1.027) 12.620 1.629 ( 0.000 -1.860 -3.792) 4.223 1.681 ( 0.000 6.235 0.232) 6.239 1.987 ( 0.000 6.814 2.338) 7.204 2.025 ( -0.000 -1.149 2.905) 3.124 2.163 ( 0.000 -2.080 1.129) 2.367 2.236 ( -0.000 -1.740 -4.320) 4.658 2.449 ( 0.000 12.187 -2.627) 12.467 2.886 ( 0.000 8.334 0.175) 8.336 2.895 ( -0.000 -22.415 -1.925) 22.498 3.474 ( 0.000 -4.979 -1.641) 5.242 3.890 ( 0.000 -13.565 0.128) 13.566 4.050 ( 0.000 -13.495 -0.451) 13.503 5.203 ( -0.000 -8.639 -0.559) 8.657 7.402 ( -0.000 2.289 -0.172) 2.295 7.596 ( -0.000 6.845 0.105) 6.846 7.937 ( -0.000 1.237 -0.366) 1.290 7.994 ( -0.000 -1.647 0.335) 1.680 8.606 ( -0.000 5.020 0.199) 5.024 8.817 ( 0.000 1.287 1.218) 1.772 8.882 ( -0.000 7.816 0.242) 7.820 8.943 ( 0.000 2.302 1.032) 2.523 9.179 ( -0.000 -0.519 0.457) 0.692 9.229 ( -0.000 -0.320 -2.422) 2.443 10.001 ( 0.000 5.084 0.339) 5.096 10.600 ( 0.000 -5.466 -1.807) 5.757 ======================= Grid point 352 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.457 14.102 -1.787) 14.222 1.159 ( -7.423 9.341 2.493) 12.189 1.600 ( -1.297 -1.440 -2.938) 3.520 1.743 ( -0.778 3.361 1.811) 3.896 1.975 ( 3.200 -3.277 3.776) 5.936 2.059 ( -0.628 1.656 -1.513) 2.330 2.148 ( 0.243 -1.613 -1.188) 2.018 2.198 ( -0.809 -0.837 -2.769) 3.004 2.541 ( 3.776 8.818 0.288) 9.597 2.631 ( 5.122 -14.612 -2.494) 15.684 3.043 ( -7.257 12.304 -0.120) 14.285 3.402 ( 1.842 -4.525 -1.380) 5.076 3.635 ( 10.489 -16.846 -0.033) 19.845 4.006 ( -8.235 -12.728 -0.405) 15.165 5.061 ( 7.765 -7.177 -0.422) 10.582 7.442 ( -2.457 1.969 -0.174) 3.153 7.657 ( 0.551 6.423 0.138) 6.448 7.927 ( 1.622 -0.738 -0.136) 1.787 7.997 ( -1.814 -0.512 -0.026) 1.886 8.683 ( -3.585 4.377 0.180) 5.661 8.840 ( -0.479 0.729 1.315) 1.578 8.945 ( -0.563 1.938 1.257) 2.378 8.984 ( -0.324 6.147 -0.807) 6.208 9.167 ( 1.029 -0.424 -0.070) 1.115 9.212 ( -0.560 -1.090 -1.695) 2.091 10.065 ( -1.724 5.188 0.065) 5.467 10.521 ( 1.604 -5.482 -1.655) 5.947 ======================= Grid point 353 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -3.051 14.521 -2.779) 15.096 1.416 ( -10.726 8.289 2.117) 13.720 1.591 ( -1.973 -1.048 -3.110) 3.829 1.778 ( 0.924 0.362 1.216) 1.569 1.919 ( 3.831 -1.816 3.738) 5.653 2.040 ( 1.588 -1.629 -1.299) 2.620 2.118 ( -0.493 -0.944 -2.328) 2.560 2.206 ( -2.751 -0.952 -1.294) 3.186 2.306 ( 6.141 -17.507 -1.641) 18.625 2.635 ( 3.833 12.631 0.337) 13.204 3.265 ( 4.652 -8.166 -0.163) 9.399 3.314 ( 2.621 -3.355 -0.716) 4.317 3.342 ( -2.667 4.374 -0.158) 5.126 4.041 ( -8.590 -7.336 -0.369) 11.302 4.819 ( 13.039 -7.350 -0.153) 14.969 7.510 ( -3.727 1.599 -0.169) 4.059 7.698 ( 1.291 5.094 0.050) 5.255 7.876 ( 2.263 -2.908 -0.111) 3.687 8.032 ( -2.086 0.724 0.032) 2.208 8.794 ( -4.683 3.641 0.248) 5.937 8.866 ( -0.785 0.529 1.028) 1.397 8.963 ( -0.157 0.038 0.371) 0.405 9.044 ( -0.957 4.715 -0.380) 4.826 9.143 ( 0.998 -0.521 -0.377) 1.187 9.194 ( 0.125 -1.518 -0.973) 1.808 10.154 ( -3.178 4.795 0.051) 5.752 10.423 ( 2.861 -5.041 -1.267) 5.933 ======================= Grid point 354 (140/171) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -5.553 10.420 -1.440) 11.895 1.567 ( -2.381 -0.079 0.048) 2.383 1.638 ( 2.207 2.651 -1.335) 3.699 1.782 ( -6.391 2.720 0.178) 6.948 1.877 ( 3.722 -2.683 2.859) 5.406 1.912 ( 6.881 -6.455 -2.148) 9.676 2.119 ( -1.735 -0.497 -0.746) 1.953 2.139 ( -0.084 -3.220 0.101) 3.223 2.240 ( -3.302 -1.216 -0.648) 3.578 2.715 ( -2.829 7.290 0.025) 7.820 2.971 ( 9.107 -13.467 0.056) 16.257 3.243 ( 1.708 -2.125 -0.378) 2.752 3.534 ( -3.527 6.240 -0.057) 7.168 4.161 ( -7.098 6.946 -0.231) 9.934 4.523 ( 11.102 -11.511 -0.024) 15.993 7.579 ( -2.896 1.263 -0.058) 3.160 7.717 ( 1.149 3.351 0.005) 3.542 7.804 ( 2.428 -3.512 -0.145) 4.272 8.068 ( -1.194 0.669 0.094) 1.371 8.883 ( -1.395 2.095 0.786) 2.637 8.890 ( -1.124 0.854 0.147) 1.419 8.959 ( 0.529 -0.175 -0.360) 0.663 9.099 ( -2.379 1.668 0.090) 2.907 9.123 ( 0.411 -0.500 -0.211) 0.681 9.163 ( 1.343 -1.241 -0.550) 1.909 10.245 ( -0.811 4.251 -0.207) 4.333 10.329 ( 0.390 -4.482 -0.364) 4.513 ======================= Grid point 362 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -0.000 8.968 2.713) 9.369 1.034 ( 0.000 7.895 0.839) 7.939 1.578 ( 0.000 -0.566 -2.630) 2.690 1.683 ( 0.000 9.449 0.021) 9.449 2.017 ( 0.000 3.348 1.491) 3.665 2.063 ( -0.000 -2.451 2.300) 3.361 2.168 ( -0.000 -1.125 -4.328) 4.472 2.177 ( 0.000 -2.559 0.637) 2.637 2.428 ( 0.000 14.101 -0.432) 14.108 2.868 ( 0.000 -23.615 -1.464) 23.660 2.888 ( 0.000 8.398 0.108) 8.399 3.453 ( -0.000 -5.173 -1.021) 5.272 3.891 ( 0.000 -13.546 0.079) 13.546 4.044 ( 0.000 -13.812 -0.284) 13.815 5.196 ( -0.000 -8.791 -0.320) 8.796 7.400 ( -0.000 2.326 -0.105) 2.328 7.597 ( -0.000 7.064 0.029) 7.064 7.933 ( 0.000 1.201 -0.223) 1.221 7.998 ( -0.000 -2.026 0.232) 2.039 8.609 ( 0.000 5.020 0.120) 5.021 8.831 ( 0.000 2.058 0.701) 2.174 8.880 ( -0.000 8.894 -0.405) 8.903 8.964 ( 0.000 -0.240 1.460) 1.480 9.185 ( -0.000 -0.559 0.281) 0.626 9.195 ( -0.000 -0.134 -1.828) 1.833 10.005 ( 0.000 4.531 0.224) 4.536 10.578 ( 0.000 -5.673 -1.084) 5.776 ======================= Grid point 363 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.278 12.175 -0.758) 12.202 1.190 ( -7.867 7.979 1.192) 11.269 1.566 ( -0.550 -0.315 -1.294) 1.441 1.763 ( -0.778 4.612 0.782) 4.742 2.030 ( 3.503 -2.876 3.209) 5.553 2.040 ( -0.906 -0.318 -0.766) 1.228 2.108 ( 1.324 0.018 -3.092) 3.364 2.179 ( -1.951 -2.276 -0.294) 3.012 2.556 ( 3.546 10.258 1.372) 10.940 2.595 ( 4.689 -16.580 -2.071) 17.354 3.041 ( -7.041 12.302 -0.037) 14.175 3.387 ( 1.678 -4.646 -0.536) 4.968 3.635 ( 10.503 -16.900 -0.013) 19.898 4.002 ( -8.286 -12.861 -0.154) 15.300 5.057 ( 7.646 -7.216 -0.153) 10.514 7.440 ( -2.394 2.001 -0.067) 3.121 7.659 ( 0.661 6.607 0.035) 6.640 7.926 ( 1.484 -0.778 -0.037) 1.676 7.997 ( -1.820 -0.753 -0.004) 1.970 8.685 ( -3.614 4.392 0.074) 5.688 8.854 ( -0.421 1.160 0.469) 1.320 8.962 ( -0.606 3.903 0.823) 4.035 8.973 ( -0.298 3.218 -0.505) 3.271 9.163 ( 1.139 -0.459 -0.320) 1.269 9.195 ( -0.709 -0.933 -0.503) 1.275 10.066 ( -1.850 4.846 0.030) 5.187 10.503 ( 1.667 -5.540 -0.625) 5.819 ======================= Grid point 364 (143/171) ======================= q-point: ( 0.90 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -2.908 14.211 0.000) 14.505 1.436 ( -11.949 7.790 0.000) 14.264 1.563 ( -0.299 -0.650 0.000) 0.716 1.787 ( 1.334 0.057 -0.000) 1.335 1.954 ( 4.063 -1.599 -0.000) 4.367 2.029 ( 1.403 -2.088 -0.000) 2.516 2.093 ( -0.897 -0.045 0.000) 0.898 2.198 ( -2.995 -1.654 0.000) 3.422 2.293 ( 6.039 -17.408 -0.000) 18.426 2.637 ( 3.671 12.381 0.000) 12.914 3.263 ( 4.444 -7.751 -0.000) 8.934 3.308 ( 2.661 -3.709 -0.000) 4.565 3.341 ( -2.635 4.320 0.000) 5.060 4.038 ( -8.590 -7.425 0.000) 11.354 4.818 ( 12.970 -7.333 -0.000) 14.900 7.508 ( -3.709 1.614 0.000) 4.045 7.698 ( 1.377 5.209 0.000) 5.388 7.875 ( 2.250 -3.040 -0.000) 3.782 8.033 ( -2.168 0.712 0.000) 2.282 8.796 ( -4.794 3.677 0.000) 6.042 8.874 ( -0.647 0.754 0.000) 0.994 8.966 ( 0.112 -0.346 -0.000) 0.363 9.041 ( -1.277 4.652 0.000) 4.824 9.139 ( 0.923 -0.636 -0.000) 1.121 9.187 ( 0.197 -1.371 -0.000) 1.385 10.154 ( -3.265 4.681 0.000) 5.707 10.413 ( 2.861 -5.048 -0.000) 5.802 ======================= Grid point 374 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.000 5.906 0.000) 5.906 1.051 ( -0.000 8.382 0.000) 8.382 1.557 ( 0.000 -0.032 0.000) 0.032 1.683 ( -0.000 10.861 0.000) 10.861 2.029 ( -0.000 0.283 0.000) 0.283 2.095 ( -0.000 0.880 -0.000) 0.880 2.119 ( 0.000 -2.724 0.000) 2.724 2.182 ( 0.000 -2.718 0.000) 2.718 2.426 ( -0.000 14.703 0.000) 14.703 2.856 ( 0.000 -24.208 0.000) 24.208 2.889 ( -0.000 8.423 0.000) 8.423 3.445 ( 0.000 -5.248 -0.000) 5.248 3.892 ( 0.000 -13.539 0.000) 13.539 4.042 ( 0.000 -13.934 0.000) 13.934 5.193 ( 0.000 -8.847 0.000) 8.847 7.399 ( -0.000 2.340 0.000) 2.340 7.597 ( -0.000 7.146 0.000) 7.146 7.931 ( -0.000 1.187 0.000) 1.187 8.000 ( 0.000 -2.162 0.000) 2.162 8.610 ( -0.000 5.020 0.000) 5.020 8.838 ( -0.000 1.927 0.000) 1.927 8.876 ( -0.000 9.455 -0.000) 9.455 8.977 ( 0.000 -0.930 0.000) 0.930 9.180 ( 0.000 -0.046 0.000) 0.046 9.187 ( 0.000 -0.575 0.000) 0.575 10.007 ( -0.000 4.320 0.000) 4.320 10.569 ( 0.000 -5.759 0.000) 5.759 ======================= Grid point 392 (145/171) ======================= q-point: ( 0.40 0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 4.351 0.000 -1.238) 4.524 1.673 ( 6.394 0.000 4.453) 7.792 1.710 ( -1.880 -0.000 2.492) 3.121 1.794 ( 3.754 -0.000 -2.592) 4.562 1.844 ( 12.231 0.000 0.185) 12.232 1.901 ( -5.634 0.000 1.752) 5.900 2.125 ( -15.082 -0.000 -1.581) 15.165 2.178 ( -0.108 0.000 0.955) 0.961 2.312 ( 0.827 -0.000 -0.706) 1.087 2.745 ( 7.819 0.000 0.614) 7.844 2.933 ( -15.648 0.000 0.261) 15.650 3.274 ( -1.294 0.000 0.645) 1.446 3.527 ( 8.568 0.000 0.006) 8.568 4.199 ( 10.894 0.000 -0.085) 10.894 4.504 ( -15.475 0.000 0.636) 15.488 7.586 ( 2.240 -0.000 -0.211) 2.250 7.753 ( -3.290 0.000 0.255) 3.300 7.763 ( 3.930 -0.000 0.168) 3.933 8.071 ( -0.300 -0.000 -0.036) 0.302 8.847 ( -0.862 -0.000 -0.398) 0.950 8.886 ( 2.917 0.000 0.452) 2.952 8.980 ( 0.157 0.000 0.155) 0.221 9.112 ( -3.456 0.000 -0.820) 3.552 9.123 ( 2.046 -0.000 0.245) 2.061 9.201 ( 1.681 0.000 0.691) 1.817 10.309 ( 5.771 0.000 1.649) 6.002 10.329 ( -4.784 -0.000 -0.857) 4.860 ======================= Grid point 403 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -7.148 9.384 0.810) 11.824 1.661 ( 1.661 1.118 -1.433) 2.462 1.697 ( -2.315 3.105 1.243) 4.068 1.763 ( -5.760 -3.168 0.580) 6.599 1.811 ( -5.396 8.716 1.019) 10.302 1.990 ( 7.907 -0.665 -0.583) 7.956 2.088 ( 3.089 -9.110 -0.526) 9.633 2.224 ( 4.140 -4.733 1.235) 6.408 2.324 ( 0.290 -0.625 0.207) 0.719 2.714 ( -3.085 9.452 0.020) 9.943 2.972 ( 7.997 -14.614 0.065) 16.659 3.294 ( 2.187 -1.922 0.320) 2.928 3.542 ( -3.179 6.171 0.058) 6.942 4.195 ( -5.627 8.541 0.222) 10.231 4.530 ( 10.048 -12.587 0.070) 16.106 7.585 ( -1.752 1.260 0.009) 2.158 7.712 ( -0.924 1.346 -0.029) 1.633 7.831 ( 3.248 -1.427 0.181) 3.552 8.058 ( -0.892 0.667 -0.035) 1.114 8.822 ( -1.528 0.270 -0.310) 1.582 8.884 ( -2.501 2.411 0.250) 3.483 8.973 ( -0.435 0.597 -0.145) 0.753 9.074 ( -0.013 1.334 -0.194) 1.349 9.144 ( 0.536 -0.233 0.099) 0.593 9.233 ( 1.139 -0.959 0.381) 1.537 10.238 ( -2.964 4.098 -0.162) 5.060 10.421 ( 3.961 -3.844 0.735) 5.568 ======================= Grid point 404 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 4.142 -0.000 -0.000) 4.142 1.731 ( -2.920 -0.000 0.000) 2.920 1.734 ( -1.437 0.000 0.000) 1.437 1.744 ( 10.994 -0.000 -0.000) 10.994 1.843 ( 13.023 -0.000 -0.000) 13.023 1.919 ( -3.037 -0.000 0.000) 3.037 2.111 ( -16.938 -0.000 0.000) 16.938 2.187 ( 0.521 -0.000 -0.000) 0.521 2.305 ( 1.396 -0.000 -0.000) 1.396 2.750 ( 7.375 0.000 -0.000) 7.375 2.935 ( -15.669 -0.000 0.000) 15.669 3.279 ( -1.345 -0.000 0.000) 1.345 3.527 ( 8.639 -0.000 -0.000) 8.639 4.199 ( 10.894 -0.000 -0.000) 10.894 4.509 ( -15.498 -0.000 0.000) 15.498 7.585 ( 2.279 -0.000 -0.000) 2.279 7.755 ( -3.402 0.000 0.000) 3.402 7.765 ( 4.095 -0.000 -0.000) 4.095 8.071 ( -0.355 -0.000 0.000) 0.355 8.844 ( -0.967 -0.000 0.000) 0.967 8.890 ( 3.219 -0.000 -0.000) 3.219 8.981 ( -0.385 -0.000 0.000) 0.385 9.105 ( -3.228 0.000 0.000) 3.228 9.125 ( 2.018 -0.000 -0.000) 2.018 9.206 ( 1.739 -0.000 -0.000) 1.739 10.322 ( -4.578 0.000 0.000) 4.578 10.322 ( 5.718 -0.000 -0.000) 5.718 ======================= Grid point 414 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -11.245 12.324 0.000) 16.683 1.493 ( -5.586 18.367 0.000) 19.197 1.676 ( 0.190 0.696 0.000) 0.721 1.731 ( -5.187 -6.465 0.000) 8.289 1.773 ( 2.173 -1.433 -0.000) 2.603 2.102 ( 4.190 -0.100 -0.000) 4.191 2.142 ( -0.781 -2.118 0.000) 2.258 2.329 ( -0.035 0.543 0.000) 0.544 2.439 ( 6.693 -16.577 -0.000) 17.877 2.618 ( 5.198 14.189 -0.000) 15.111 3.276 ( 6.543 -11.844 -0.000) 13.532 3.347 ( -4.557 7.981 0.000) 9.190 3.374 ( 3.933 -3.243 -0.000) 5.098 4.069 ( -8.586 -6.504 0.000) 10.772 4.833 ( 13.728 -7.465 -0.000) 15.626 7.521 ( -3.806 1.475 0.000) 4.082 7.687 ( 0.282 3.625 0.000) 3.636 7.893 ( 2.625 -1.284 -0.000) 2.923 8.031 ( -1.408 0.931 0.000) 1.688 8.787 ( -5.090 3.462 0.000) 6.156 8.792 ( -1.446 0.599 0.000) 1.565 8.958 ( -0.362 1.416 0.000) 1.462 9.054 ( 0.604 4.889 0.000) 4.926 9.152 ( 0.243 -0.253 -0.000) 0.351 9.261 ( 0.617 -1.682 -0.000) 1.792 10.150 ( -2.039 5.835 0.000) 6.181 10.520 ( 2.670 -4.989 -0.000) 5.658 ======================= Grid point 424 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -0.000 10.857 0.000) 10.857 1.416 ( -0.000 21.396 0.000) 21.396 1.628 ( 0.000 -6.691 -0.000) 6.691 1.670 ( -0.000 0.588 0.000) 0.588 1.834 ( 0.000 -3.250 -0.000) 3.250 2.117 ( 0.000 -0.072 -0.000) 0.072 2.154 ( -0.000 3.502 0.000) 3.502 2.333 ( -0.000 0.198 0.000) 0.198 2.543 ( 0.000 -20.906 -0.000) 20.906 2.870 ( -0.000 22.438 0.000) 22.438 3.066 ( -0.000 11.148 0.000) 11.148 3.457 ( 0.000 -2.759 -0.000) 2.759 3.616 ( 0.000 -14.266 -0.000) 14.266 3.756 ( 0.000 -19.648 -0.000) 19.648 5.105 ( 0.000 -4.103 -0.000) 4.103 7.442 ( -0.000 1.291 0.000) 1.291 7.697 ( -0.000 4.606 0.000) 4.606 7.970 ( 0.000 -0.895 -0.000) 0.895 7.971 ( -0.000 0.835 0.000) 0.835 8.679 ( -0.000 3.134 0.000) 3.134 8.767 ( -0.000 0.714 0.000) 0.714 8.952 ( -0.000 1.687 0.000) 1.687 9.069 ( -0.000 6.955 0.000) 6.955 9.156 ( 0.000 -0.394 -0.000) 0.394 9.271 ( 0.000 -1.969 -0.000) 1.969 10.118 ( -0.000 6.268 0.000) 6.268 10.562 ( 0.000 -5.130 -0.000) 5.130 ======================= Grid point 425 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -9.036 7.887 0.203) 11.995 1.589 ( -2.189 -1.088 -1.168) 2.709 1.608 ( -1.968 9.790 0.058) 9.986 1.686 ( -0.200 2.086 0.862) 2.266 1.794 ( 1.570 -1.752 0.239) 2.365 2.117 ( 0.068 -1.280 -0.137) 1.289 2.153 ( 2.038 0.359 -0.136) 2.073 2.327 ( 0.202 -2.230 -1.635) 2.772 2.347 ( 1.637 -12.374 -0.522) 12.492 2.934 ( 12.101 19.320 -0.108) 22.797 3.271 ( 3.287 -5.709 -0.059) 6.588 3.347 ( -0.751 1.150 -0.076) 1.375 3.409 ( 3.007 -1.546 -0.556) 3.427 3.761 ( -15.200 -13.615 -0.221) 20.407 4.994 ( 9.798 -2.305 -0.201) 10.068 7.474 ( -2.740 0.665 -0.051) 2.820 7.729 ( 0.589 2.636 0.322) 2.720 7.925 ( 2.699 -0.712 -0.299) 2.807 8.008 ( -2.142 0.339 -0.107) 2.171 8.735 ( -3.815 1.682 0.065) 4.170 8.780 ( -0.772 0.346 0.486) 0.976 8.964 ( -0.126 0.829 -0.225) 0.868 9.116 ( 1.045 4.188 0.022) 4.317 9.152 ( 0.094 -0.222 0.082) 0.255 9.248 ( 0.091 -1.856 -0.492) 1.922 10.175 ( -0.903 4.082 -0.172) 4.184 10.507 ( 1.285 -3.507 -0.651) 3.792 ======================= Grid point 426 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -14.120 -0.000 -0.262) 14.122 1.603 ( -3.076 -0.000 -1.179) 3.294 1.681 ( -2.142 -0.000 -0.628) 2.232 1.714 ( 1.562 0.000 2.518) 2.964 1.782 ( -1.727 -0.000 -2.116) 2.731 2.079 ( 2.243 0.000 -0.333) 2.267 2.103 ( 4.565 0.000 0.836) 4.641 2.230 ( 2.087 0.000 -2.675) 3.392 2.320 ( 0.135 0.000 -1.318) 1.325 2.868 ( 10.681 0.000 -0.283) 10.685 3.006 ( 8.343 0.000 0.186) 8.345 3.335 ( 4.048 0.000 -0.819) 4.130 3.507 ( -5.583 -0.000 -0.149) 5.585 3.969 ( -17.734 -0.000 -0.522) 17.742 4.757 ( 17.179 0.000 -0.186) 17.180 7.534 ( -4.055 -0.000 -0.137) 4.058 7.731 ( 1.095 0.000 0.545) 1.223 7.870 ( 2.968 0.000 -0.654) 3.039 8.041 ( -1.676 -0.000 -0.028) 1.676 8.804 ( -1.315 -0.000 0.793) 1.535 8.822 ( -5.360 -0.000 0.025) 5.360 8.969 ( -0.358 -0.000 -0.215) 0.417 9.109 ( 2.106 0.000 0.142) 2.110 9.149 ( 0.280 0.000 -0.043) 0.283 9.232 ( 0.145 0.000 -0.874) 0.886 10.218 ( -2.093 -0.000 -0.053) 2.093 10.449 ( 2.789 0.000 -1.354) 3.100 ======================= Grid point 436 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.000 10.438 0.957) 10.482 1.405 ( -0.000 21.042 -1.465) 21.093 1.622 ( 0.000 -6.140 -0.759) 6.187 1.679 ( -0.000 0.828 1.182) 1.444 1.846 ( -0.000 -3.671 1.536) 3.980 2.118 ( -0.000 -0.309 0.153) 0.344 2.148 ( 0.000 3.254 -0.842) 3.361 2.318 ( 0.000 -0.007 -1.930) 1.930 2.528 ( 0.000 -20.798 -1.917) 20.886 2.865 ( -0.000 22.546 -0.705) 22.557 3.067 ( -0.000 11.162 0.158) 11.163 3.448 ( 0.000 -2.805 -1.147) 3.031 3.617 ( 0.000 -14.258 0.100) 14.259 3.752 ( 0.000 -19.739 -0.542) 19.746 5.101 ( 0.000 -4.100 -0.462) 4.126 7.442 ( -0.000 1.300 -0.078) 1.303 7.701 ( -0.000 4.783 0.461) 4.805 7.967 ( 0.000 -1.122 -0.319) 1.166 7.969 ( 0.000 0.826 -0.264) 0.867 8.680 ( -0.000 3.138 0.136) 3.141 8.776 ( -0.000 0.563 1.113) 1.247 8.948 ( 0.000 1.716 -0.389) 1.760 9.069 ( -0.000 6.841 -0.042) 6.841 9.158 ( -0.000 -0.406 0.250) 0.477 9.263 ( 0.000 -1.939 -1.009) 2.186 10.115 ( -0.000 6.118 -0.280) 6.124 10.552 ( 0.000 -5.111 -1.223) 5.255 ======================= Grid point 437 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -8.917 7.156 0.562) 11.448 1.559 ( -0.381 8.809 -2.842) 9.264 1.600 ( -2.890 0.810 -1.014) 3.168 1.711 ( -0.268 3.035 2.304) 3.819 1.807 ( 1.719 -3.488 1.692) 4.241 2.112 ( 0.547 -1.519 -0.512) 1.694 2.147 ( 1.249 1.206 -0.757) 1.893 2.286 ( 0.066 -6.901 -3.464) 7.722 2.327 ( 1.600 -8.472 -2.122) 8.879 2.931 ( 11.916 19.315 -0.283) 22.697 3.269 ( 3.108 -5.410 -0.153) 6.241 3.345 ( -0.543 0.829 -0.188) 1.009 3.393 ( 2.768 -1.590 -1.464) 3.512 3.755 ( -15.163 -13.666 -0.570) 20.420 4.988 ( 9.661 -2.294 -0.505) 9.943 7.473 ( -2.693 0.678 -0.134) 2.780 7.738 ( 0.710 2.952 0.832) 3.148 7.916 ( 2.719 -1.028 -0.770) 3.007 8.005 ( -2.313 0.288 -0.268) 2.346 8.737 ( -3.781 1.693 0.173) 4.147 8.795 ( -0.699 0.224 1.343) 1.530 8.959 ( -0.204 0.786 -0.350) 0.884 9.115 ( 0.937 4.231 -0.208) 4.339 9.155 ( 0.249 -0.243 0.198) 0.400 9.234 ( -0.003 -1.927 -1.362) 2.360 10.170 ( -1.090 3.940 -0.432) 4.111 10.488 ( 1.356 -3.486 -1.698) 4.107 ======================= Grid point 438 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -13.024 -0.000 -0.465) 13.032 1.582 ( -1.929 -0.000 -1.534) 2.465 1.651 ( -4.025 -0.000 -3.526) 5.351 1.760 ( 0.460 0.000 -0.388) 0.601 1.765 ( 1.862 -0.000 3.980) 4.394 2.068 ( 2.256 0.000 -1.448) 2.681 2.116 ( 3.463 0.000 0.778) 3.550 2.178 ( 1.476 0.000 -3.648) 3.936 2.290 ( -0.494 0.000 -2.530) 2.577 2.862 ( 10.512 0.000 -0.501) 10.524 3.010 ( 8.347 0.000 0.388) 8.356 3.318 ( 3.702 0.000 -1.357) 3.942 3.504 ( -5.618 -0.000 -0.238) 5.623 3.959 ( -17.646 -0.000 -0.844) 17.666 4.754 ( 16.917 0.000 -0.267) 16.919 7.532 ( -4.032 -0.000 -0.228) 4.039 7.743 ( 1.399 0.000 0.924) 1.677 7.857 ( 2.851 0.000 -1.101) 3.056 8.040 ( -1.891 -0.000 -0.014) 1.891 8.822 ( -1.131 -0.000 1.443) 1.834 8.823 ( -5.121 -0.000 0.119) 5.123 8.966 ( -0.607 -0.000 -0.160) 0.628 9.110 ( 1.837 0.000 -0.047) 1.838 9.147 ( 0.495 0.000 -0.190) 0.531 9.214 ( -0.000 0.000 -1.491) 1.491 10.217 ( -2.593 -0.000 -0.067) 2.594 10.421 ( 2.983 0.000 -2.187) 3.699 ======================= Grid point 448 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -0.000 9.270 1.638) 9.414 1.371 ( -0.000 19.645 -3.020) 19.876 1.606 ( -0.000 -4.643 -1.324) 4.829 1.706 ( 0.000 1.536 2.290) 2.758 1.881 ( -0.000 -4.293 2.996) 5.235 2.122 ( -0.000 -0.907 0.254) 0.942 2.127 ( 0.000 2.461 -2.017) 3.182 2.277 ( -0.000 -0.416 -3.374) 3.400 2.490 ( -0.000 -20.696 -2.936) 20.903 2.851 ( -0.000 22.876 -1.077) 22.902 3.070 ( -0.000 11.198 0.254) 11.201 3.425 ( -0.000 -2.929 -1.871) 3.476 3.619 ( -0.000 -14.238 0.162) 14.239 3.741 ( -0.000 -19.971 -0.881) 19.990 5.092 ( -0.000 -4.096 -0.706) 4.157 7.440 ( 0.000 1.326 -0.125) 1.332 7.710 ( -0.000 5.260 0.690) 5.305 7.961 ( -0.000 -1.713 -0.455) 1.772 7.963 ( 0.000 0.802 -0.420) 0.905 8.683 ( 0.000 3.146 0.214) 3.153 8.799 ( -0.000 0.270 1.835) 1.855 8.944 ( 0.000 1.618 -0.121) 1.622 9.065 ( -0.000 6.623 -0.520) 6.643 9.163 ( -0.000 -0.437 0.404) 0.595 9.241 ( -0.000 -1.846 -1.821) 2.593 10.110 ( 0.000 5.729 -0.421) 5.744 10.527 ( -0.000 -5.072 -1.955) 5.436 ======================= Grid point 449 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -8.800 5.859 0.777) 10.600 1.503 ( 0.215 13.161 -4.364) 13.867 1.583 ( -2.124 -2.562 -1.179) 3.531 1.749 ( -0.091 2.848 2.582) 3.845 1.848 ( 1.788 -3.710 3.655) 5.506 2.095 ( 1.380 -1.632 -2.135) 3.020 2.131 ( -0.283 0.815 -1.012) 1.330 2.233 ( -0.067 -6.999 -3.317) 7.746 2.285 ( 1.634 -8.371 -3.226) 9.119 2.926 ( 11.587 19.215 -0.353) 22.441 3.267 ( 2.853 -4.951 -0.182) 5.717 3.341 ( -0.208 0.340 -0.226) 0.458 3.368 ( 2.342 -1.647 -1.815) 3.390 3.745 ( -15.081 -13.736 -0.686) 20.411 4.980 ( 9.441 -2.280 -0.581) 9.730 7.471 ( -2.615 0.699 -0.165) 2.712 7.753 ( 0.918 3.575 0.982) 3.819 7.903 ( 2.738 -1.650 -0.888) 3.318 8.000 ( -2.588 0.216 -0.312) 2.615 8.740 ( -3.755 1.708 0.226) 4.131 8.819 ( -0.593 0.099 1.835) 1.930 8.956 ( -0.260 0.629 -0.009) 0.681 9.108 ( 0.718 4.324 -0.737) 4.444 9.157 ( 0.559 -0.335 0.134) 0.665 9.209 ( -0.219 -1.979 -1.807) 2.689 10.163 ( -1.383 3.716 -0.497) 3.996 10.459 ( 1.473 -3.461 -2.084) 4.300 ======================= Grid point 450 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -10.719 -0.000 -0.614) 10.737 1.558 ( -0.680 0.000 -1.470) 1.620 1.587 ( -6.176 -0.000 -4.299) 7.525 1.765 ( 1.729 0.000 0.795) 1.903 1.831 ( 2.423 -0.000 4.620) 5.216 2.029 ( 2.554 0.000 -3.559) 4.381 2.125 ( 2.346 0.000 0.399) 2.379 2.134 ( 0.546 0.000 -2.008) 2.081 2.246 ( -1.372 0.000 -3.215) 3.496 2.854 ( 10.317 0.000 -0.559) 10.332 3.017 ( 8.280 0.000 0.501) 8.295 3.296 ( 3.290 0.000 -1.405) 3.578 3.500 ( -5.657 -0.000 -0.234) 5.662 3.945 ( -17.525 -0.000 -0.842) 17.545 4.750 ( 16.591 0.000 -0.225) 16.593 7.528 ( -3.987 -0.000 -0.236) 3.994 7.758 ( 1.761 0.000 0.981) 2.016 7.839 ( 2.734 0.000 -1.142) 2.963 8.040 ( -2.179 -0.000 0.016) 2.179 8.826 ( -5.030 -0.000 0.271) 5.037 8.846 ( -0.929 -0.000 1.721) 1.956 8.965 ( -0.550 -0.000 -0.068) 0.554 9.107 ( 1.313 0.000 -0.306) 1.349 9.142 ( 0.660 0.000 -0.574) 0.875 9.190 ( -0.066 0.000 -1.439) 1.441 10.216 ( -3.193 -0.000 -0.046) 3.193 10.387 ( 3.228 0.000 -2.180) 3.895 ======================= Grid point 460 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.000 7.638 1.785) 7.844 1.319 ( -0.000 17.504 -3.505) 17.852 1.584 ( 0.000 -2.635 -1.478) 3.021 1.745 ( 0.000 2.277 2.691) 3.525 1.934 ( 0.000 -4.328 3.938) 5.851 2.088 ( 0.000 1.088 -2.984) 3.176 2.126 ( 0.000 -1.604 0.262) 1.625 2.219 ( 0.000 -0.500 -4.117) 4.148 2.445 ( -0.000 -21.007 -2.714) 21.181 2.834 ( -0.000 23.353 -0.995) 23.374 3.074 ( -0.000 11.242 0.252) 11.244 3.395 ( -0.000 -3.086 -1.891) 3.620 3.622 ( -0.000 -14.213 0.161) 14.214 3.727 ( -0.000 -20.242 -0.883) 20.261 5.081 ( 0.000 -4.103 -0.657) 4.155 7.438 ( 0.000 1.357 -0.123) 1.363 7.720 ( -0.000 5.863 0.600) 5.893 7.955 ( -0.000 -2.423 -0.346) 2.447 7.957 ( 0.000 0.772 -0.413) 0.876 8.686 ( 0.000 3.156 0.207) 3.163 8.828 ( -0.000 0.194 1.869) 1.879 8.947 ( 0.000 1.144 0.570) 1.278 9.053 ( -0.000 6.414 -1.042) 6.498 9.169 ( 0.000 -0.475 0.402) 0.622 9.210 ( -0.000 -1.687 -2.155) 2.736 10.104 ( 0.000 5.255 -0.383) 5.269 10.497 ( 0.000 -5.048 -1.927) 5.403 ======================= Grid point 461 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -8.836 4.397 0.743) 9.897 1.437 ( 0.277 13.522 -3.919) 14.082 1.566 ( -0.832 -1.920 -0.932) 2.291 1.785 ( 0.362 1.680 1.984) 2.624 1.913 ( 1.806 -2.688 4.605) 5.630 2.048 ( 0.822 -2.905 -3.470) 4.599 2.121 ( -0.315 -0.467 -0.524) 0.769 2.186 ( -0.687 -2.113 -2.989) 3.724 2.237 ( 1.933 -11.324 -2.673) 11.795 2.921 ( 11.229 18.984 -0.289) 22.058 3.264 ( 2.630 -4.500 -0.138) 5.214 3.336 ( 1.089 -0.740 -0.694) 1.488 3.343 ( 0.913 -1.069 -0.959) 1.702 3.736 ( -14.973 -13.788 -0.540) 20.362 4.972 ( 9.221 -2.269 -0.435) 9.507 7.468 ( -2.534 0.720 -0.133) 2.637 7.766 ( 1.159 4.358 0.708) 4.565 7.891 ( 2.723 -2.425 -0.605) 3.696 7.996 ( -2.857 0.153 -0.240) 2.871 8.743 ( -3.778 1.720 0.201) 4.156 8.847 ( -0.505 0.115 1.688) 1.766 8.959 ( -0.174 0.315 0.367) 0.514 9.094 ( 0.412 4.400 -1.004) 4.532 9.156 ( 0.961 -0.850 -0.467) 1.365 9.184 ( -0.537 -1.564 -1.169) 2.025 10.156 ( -1.664 3.498 -0.373) 3.891 10.429 ( 1.590 -3.448 -1.673) 4.149 ======================= Grid point 462 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -5.839 -0.000 -0.776) 5.890 1.534 ( -10.721 -0.000 -2.337) 10.973 1.539 ( 0.305 0.000 -0.944) 0.992 1.777 ( 2.461 0.000 0.616) 2.537 1.899 ( 3.141 0.000 3.915) 5.020 1.975 ( 2.566 0.000 -2.932) 3.896 2.111 ( 0.191 0.000 -1.359) 1.373 2.129 ( 1.472 0.000 0.135) 1.478 2.200 ( -2.470 -0.000 -2.401) 3.445 2.847 ( 10.170 0.000 -0.376) 10.177 3.024 ( 8.168 0.000 0.371) 8.176 3.278 ( 2.975 0.000 -0.900) 3.108 3.497 ( -5.684 -0.000 -0.143) 5.685 3.935 ( -17.416 -0.000 -0.519) 17.424 4.747 ( 16.327 0.000 -0.118) 16.328 7.525 ( -3.938 -0.000 -0.149) 3.941 7.771 ( 2.047 0.000 0.637) 2.144 7.824 ( 2.661 0.000 -0.721) 2.757 8.041 ( -2.426 -0.000 0.021) 2.426 8.831 ( -5.179 -0.000 0.275) 5.187 8.870 ( -0.793 -0.000 1.283) 1.509 8.964 ( -0.086 -0.000 -0.056) 0.103 9.102 ( 0.673 0.000 -0.290) 0.732 9.130 ( 0.469 0.000 -0.850) 0.971 9.174 ( 0.221 0.000 -0.646) 0.683 10.216 ( -3.663 -0.000 -0.018) 3.663 10.359 ( 3.430 0.000 -1.342) 3.684 ======================= Grid point 464 (161/171) ======================= q-point: ( 1.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -2.421 -0.000 0.000) 2.421 1.518 ( -14.017 -0.000 0.000) 14.017 1.532 ( 0.678 0.000 -0.000) 0.678 1.782 ( 2.740 0.000 -0.000) 2.740 1.934 ( 3.395 0.000 -0.000) 3.395 1.951 ( 2.955 0.000 -0.000) 2.955 2.097 ( -0.186 -0.000 0.000) 0.186 2.130 ( 1.132 0.000 -0.000) 1.132 2.181 ( -3.005 -0.000 0.000) 3.005 2.844 ( 10.116 0.000 -0.000) 10.116 3.027 ( 8.111 0.000 -0.000) 8.111 3.271 ( 2.859 0.000 -0.000) 2.859 3.496 ( -5.693 -0.000 0.000) 5.693 3.931 ( -17.372 -0.000 0.000) 17.372 4.746 ( 16.226 0.000 -0.000) 16.226 7.524 ( -3.917 -0.000 0.000) 3.917 7.776 ( 2.155 0.000 -0.000) 2.155 7.818 ( 2.637 0.000 -0.000) 2.637 8.041 ( -2.523 -0.000 0.000) 2.523 8.833 ( -5.309 -0.000 0.000) 5.309 8.881 ( -0.750 -0.000 0.000) 0.750 8.963 ( 0.226 0.000 -0.000) 0.226 9.100 ( 0.359 0.000 -0.000) 0.359 9.122 ( 0.300 0.000 -0.000) 0.300 9.170 ( 0.434 0.000 -0.000) 0.434 10.215 ( -3.840 -0.000 0.000) 3.840 10.349 ( 3.508 0.000 -0.000) 3.508 ======================= Grid point 475 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.000 6.085 1.206) 6.203 1.273 ( -0.000 15.649 -2.329) 15.821 1.564 ( -0.000 -0.800 -1.019) 1.296 1.782 ( 0.000 2.644 1.969) 3.296 1.996 ( 0.000 -3.802 3.822) 5.391 2.045 ( 0.000 -0.336 -2.077) 2.104 2.129 ( 0.000 -2.136 0.166) 2.143 2.155 ( -0.000 -0.292 -4.289) 4.299 2.412 ( -0.000 -21.614 -1.556) 21.670 2.822 ( -0.000 23.769 -0.573) 23.776 3.077 ( -0.000 11.277 0.155) 11.278 3.371 ( 0.000 -3.216 -1.179) 3.426 3.624 ( -0.000 -14.192 0.100) 14.193 3.715 ( -0.000 -20.448 -0.547) 20.455 5.073 ( -0.000 -4.114 -0.382) 4.132 7.436 ( 0.000 1.383 -0.075) 1.385 7.728 ( -0.000 6.332 0.314) 6.340 7.951 ( -0.000 -2.952 -0.140) 2.955 7.952 ( -0.000 0.748 -0.252) 0.790 8.689 ( 0.000 3.164 0.124) 3.166 8.852 ( -0.000 0.461 1.184) 1.271 8.959 ( 0.000 0.315 0.871) 0.926 9.036 ( -0.000 6.324 -0.980) 6.399 9.174 ( -0.000 -0.505 0.247) 0.563 9.180 ( -0.000 -1.494 -1.611) 2.197 10.099 ( -0.000 4.877 -0.218) 4.882 10.473 ( -0.000 -5.046 -1.178) 5.182 ======================= Grid point 476 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -9.079 3.379 0.353) 9.694 1.393 ( 0.403 13.265 -1.598) 13.367 1.556 ( 0.062 -0.908 -0.371) 0.983 1.807 ( 0.761 0.783 0.782) 1.343 1.978 ( 1.739 -2.365 3.285) 4.405 2.006 ( 0.620 -3.797 -1.751) 4.227 2.108 ( 0.798 0.211 -1.211) 1.466 2.146 ( -2.343 -0.817 -1.589) 2.947 2.212 ( 2.087 -12.336 -0.771) 12.535 2.918 ( 10.995 18.769 -0.112) 21.753 3.263 ( 2.497 -4.204 -0.050) 4.890 3.323 ( 1.976 -1.776 -0.557) 2.715 3.339 ( -0.067 -0.334 -0.076) 0.349 3.730 ( -14.892 -13.812 -0.202) 20.312 4.967 ( 9.086 -2.265 -0.158) 9.365 7.467 ( -2.482 0.733 -0.051) 2.589 7.773 ( 1.339 4.905 0.233) 5.089 7.885 ( 2.681 -2.959 -0.185) 3.997 7.994 ( -3.021 0.115 -0.089) 3.024 8.746 ( -3.826 1.727 0.082) 4.199 8.866 ( -0.458 0.252 0.718) 0.888 8.964 ( -0.004 -0.030 0.260) 0.262 9.082 ( 0.151 4.409 -0.502) 4.440 9.145 ( 0.749 -1.632 -0.583) 1.888 9.176 ( -0.289 -0.777 -0.146) 0.842 10.152 ( -1.830 3.367 -0.136) 3.835 10.411 ( 1.662 -3.445 -0.636) 3.878 ======================= Grid point 487 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.000 5.412 0.000) 5.412 1.254 ( -0.000 14.921 0.000) 14.921 1.556 ( 0.000 -0.024 0.000) 0.024 1.798 ( -0.000 2.736 0.000) 2.736 2.016 ( 0.000 -1.912 0.000) 1.912 2.052 ( 0.000 -3.046 -0.000) 3.046 2.106 ( -0.000 0.351 0.000) 0.351 2.130 ( 0.000 -2.332 0.000) 2.332 2.400 ( 0.000 -21.912 0.000) 21.912 2.818 ( -0.000 23.931 0.000) 23.931 3.079 ( -0.000 11.290 0.000) 11.290 3.362 ( 0.000 -3.267 0.000) 3.267 3.624 ( 0.000 -14.185 0.000) 14.185 3.711 ( 0.000 -20.522 0.000) 20.522 5.070 ( 0.000 -4.120 0.000) 4.120 7.436 ( -0.000 1.392 0.000) 1.392 7.730 ( -0.000 6.500 0.000) 6.500 7.950 ( -0.000 0.739 0.000) 0.739 7.950 ( 0.000 -3.135 0.000) 3.135 8.690 ( -0.000 3.167 0.000) 3.167 8.861 ( -0.000 0.649 0.000) 0.649 8.967 ( 0.000 -0.228 0.000) 0.228 9.028 ( -0.000 6.405 0.000) 6.405 9.167 ( 0.000 -1.390 0.000) 1.390 9.176 ( 0.000 -0.517 0.000) 0.517 10.097 ( -0.000 4.734 0.000) 4.734 10.463 ( 0.000 -5.049 0.000) 5.049 ======================= Grid point 529 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -14.466 -0.000 0.000) 14.466 1.613 ( -3.722 -0.000 0.000) 3.722 1.684 ( -1.610 0.000 0.000) 1.610 1.694 ( 1.646 -0.000 -0.000) 1.646 1.802 ( -2.591 -0.000 0.000) 2.591 2.081 ( 2.325 -0.000 -0.000) 2.325 2.096 ( 5.119 -0.000 -0.000) 5.119 2.251 ( 2.227 -0.000 -0.000) 2.227 2.330 ( 0.394 -0.000 -0.000) 0.394 2.871 ( 10.747 -0.000 -0.000) 10.747 3.004 ( 8.327 0.000 -0.000) 8.327 3.341 ( 4.184 -0.000 -0.000) 4.184 3.508 ( -5.569 -0.000 0.000) 5.569 3.973 ( -17.765 -0.000 0.000) 17.765 4.759 ( 17.279 -0.000 -0.000) 17.279 7.535 ( -4.060 -0.000 0.000) 4.060 7.727 ( 0.975 -0.000 -0.000) 0.975 7.875 ( 3.019 -0.000 -0.000) 3.019 8.041 ( -1.598 -0.000 0.000) 1.598 8.798 ( -1.388 -0.000 0.000) 1.388 8.822 ( -5.481 -0.000 0.000) 5.481 8.971 ( -0.210 -0.000 0.000) 0.210 9.108 ( 2.179 -0.000 -0.000) 2.179 9.149 ( 0.195 -0.000 -0.000) 0.195 9.239 ( 0.204 -0.000 -0.000) 0.204 10.218 ( -1.898 -0.000 0.000) 1.898 10.460 ( 2.716 -0.000 -0.000) 2.716 ======================= Grid point 541 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -0.000 0.000 0.000) 0.000 1.542 ( -0.000 0.000 0.000) 0.000 1.657 ( 0.000 -0.000 -0.000) 0.000 1.717 ( -0.000 0.000 0.000) 0.000 1.793 ( -0.000 0.000 0.000) 0.000 2.117 ( -0.000 0.000 0.000) 0.000 2.172 ( -0.000 0.000 0.000) 0.000 2.275 ( -0.000 0.000 0.000) 0.000 2.336 ( -0.000 0.000 0.000) 0.000 3.245 ( -0.000 0.000 0.000) 0.000 3.309 ( -0.000 0.000 0.000) 0.000 3.356 ( 0.000 -0.000 -0.000) 0.000 3.407 ( 0.000 -0.000 -0.000) 0.000 3.430 ( -0.000 0.000 0.000) 0.000 5.067 ( -0.000 0.000 0.000) 0.000 7.455 ( -0.000 0.000 0.000) 0.000 7.746 ( -0.000 0.000 0.000) 0.000 7.958 ( -0.000 0.000 0.000) 0.000 7.979 ( -0.000 0.000 0.000) 0.000 8.710 ( -0.000 0.000 0.000) 0.000 8.774 ( -0.000 0.000 0.000) 0.000 8.968 ( -0.000 0.000 0.000) 0.000 9.149 ( -0.000 0.000 0.000) 0.000 9.151 ( -0.000 0.000 0.000) 0.000 9.238 ( -0.000 0.000 0.000) 0.000 10.190 ( -0.000 0.000 0.000) 0.000 10.502 ( -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: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -0.000 -0.000 0.200) 0.200 1.544 ( -0.000 0.000 0.169) 0.169 1.651 ( 0.000 0.000 -1.046) 1.046 1.737 ( -0.000 -0.000 2.513) 2.513 1.782 ( 0.000 0.000 -1.043) 1.043 2.115 ( 0.000 0.000 -0.137) 0.137 2.174 ( -0.000 0.000 0.120) 0.120 2.245 ( 0.000 -0.000 -3.692) 3.692 2.327 ( 0.000 0.000 -1.332) 1.332 3.246 ( -0.000 -0.000 0.193) 0.193 3.307 ( 0.000 -0.000 -0.263) 0.263 3.348 ( 0.000 0.000 -0.981) 0.981 3.408 ( -0.000 -0.000 0.091) 0.091 3.421 ( 0.000 -0.000 -1.206) 1.206 5.063 ( 0.000 0.000 -0.452) 0.452 7.454 ( 0.000 0.000 -0.066) 0.066 7.752 ( -0.000 0.000 0.785) 0.785 7.953 ( 0.000 0.000 -0.699) 0.699 7.977 ( 0.000 0.000 -0.275) 0.275 8.711 ( -0.000 -0.000 0.141) 0.141 8.781 ( -0.000 -0.000 0.940) 0.940 8.965 ( 0.000 -0.000 -0.408) 0.408 9.149 ( 0.000 -0.000 -0.039) 0.039 9.153 ( -0.000 0.000 0.235) 0.235 9.230 ( 0.000 0.000 -1.077) 1.077 10.186 ( 0.000 0.000 -0.479) 0.479 10.492 ( 0.000 0.000 -1.183) 1.183 ======================= Grid point 565 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -0.000 -0.000 0.322) 0.322 1.547 ( -0.000 0.000 0.271) 0.271 1.616 ( 0.000 0.000 -3.666) 3.666 1.776 ( -0.000 -0.000 0.445) 0.445 1.790 ( -0.000 0.000 4.356) 4.356 2.113 ( 0.000 0.000 -0.213) 0.213 2.171 ( 0.000 0.000 -5.759) 5.759 2.174 ( 0.000 -0.000 -0.115) 0.115 2.294 ( 0.000 0.000 -3.026) 3.026 3.250 ( -0.000 0.000 0.311) 0.311 3.302 ( 0.000 -0.000 -0.386) 0.386 3.328 ( 0.000 0.000 -1.613) 1.613 3.396 ( 0.000 -0.000 -1.969) 1.969 3.410 ( -0.000 -0.000 0.147) 0.147 5.054 ( 0.000 0.000 -0.697) 0.697 7.453 ( 0.000 0.000 -0.105) 0.105 7.768 ( -0.000 0.000 1.303) 1.303 7.938 ( 0.000 0.000 -1.140) 1.140 7.971 ( 0.000 0.000 -0.439) 0.439 8.714 ( -0.000 -0.000 0.222) 0.222 8.802 ( -0.000 -0.000 1.662) 1.662 8.959 ( 0.000 -0.000 -0.298) 0.298 9.146 ( 0.000 -0.000 -0.460) 0.460 9.158 ( -0.000 0.000 0.379) 0.379 9.207 ( 0.000 0.000 -1.929) 1.929 10.176 ( 0.000 0.000 -0.737) 0.737 10.468 ( 0.000 0.000 -1.904) 1.904 ======================= Grid point 577 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.000 -0.000 0.320) 0.320 1.550 ( 0.000 -0.000 -4.545) 4.545 1.551 ( -0.000 0.000 0.269) 0.269 1.792 ( -0.000 -0.000 1.416) 1.416 1.864 ( -0.000 0.000 5.169) 5.169 2.081 ( 0.000 0.000 -5.719) 5.719 2.109 ( 0.000 0.000 -0.203) 0.203 2.170 ( 0.000 -0.000 -0.403) 0.403 2.237 ( 0.000 0.000 -4.352) 4.352 3.255 ( -0.000 0.000 0.310) 0.310 3.296 ( 0.000 0.000 -0.334) 0.334 3.302 ( 0.000 -0.000 -1.647) 1.647 3.365 ( 0.000 -0.000 -1.992) 1.992 3.412 ( -0.000 -0.000 0.147) 0.147 5.043 ( 0.000 0.000 -0.656) 0.656 7.451 ( 0.000 0.000 -0.103) 0.103 7.789 ( -0.000 0.000 1.354) 1.354 7.920 ( 0.000 0.000 -1.147) 1.147 7.965 ( 0.000 0.000 -0.431) 0.431 8.718 ( -0.000 -0.000 0.214) 0.214 8.829 ( -0.000 -0.000 1.905) 1.905 8.957 ( -0.000 -0.000 0.149) 0.149 9.135 ( 0.000 -0.000 -0.951) 0.951 9.164 ( -0.000 0.000 0.377) 0.377 9.174 ( 0.000 0.000 -2.238) 2.238 10.165 ( 0.000 0.000 -0.691) 0.691 10.438 ( 0.000 0.000 -1.893) 1.893 ======================= Grid point 590 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -0.000 -0.000 0.197) 0.197 1.490 ( 0.000 -0.000 -2.966) 2.966 1.555 ( -0.000 0.000 0.165) 0.165 1.812 ( -0.000 -0.000 1.048) 1.048 1.936 ( -0.000 0.000 3.541) 3.541 2.014 ( 0.000 -0.000 -2.110) 2.110 2.107 ( 0.000 0.000 -0.120) 0.120 2.163 ( 0.000 -0.000 -0.372) 0.372 2.166 ( 0.000 0.000 -4.710) 4.710 3.259 ( -0.000 0.000 0.192) 0.192 3.281 ( 0.000 0.000 -1.036) 1.036 3.292 ( 0.000 -0.000 -0.180) 0.180 3.339 ( 0.000 -0.000 -1.244) 1.244 3.414 ( -0.000 -0.000 0.091) 0.091 5.035 ( 0.000 0.000 -0.384) 0.384 7.450 ( 0.000 0.000 -0.063) 0.063 7.806 ( -0.000 0.000 0.867) 0.867 7.906 ( 0.000 0.000 -0.711) 0.711 7.959 ( 0.000 0.000 -0.263) 0.263 8.720 ( -0.000 -0.000 0.129) 0.129 8.855 ( -0.000 -0.000 1.372) 1.372 8.962 ( -0.000 -0.000 0.370) 0.370 9.120 ( 0.000 -0.000 -0.890) 0.890 9.143 ( 0.000 0.000 -1.616) 1.616 9.169 ( -0.000 0.000 0.232) 0.232 10.157 ( 0.000 0.000 -0.404) 0.404 10.414 ( 0.000 0.000 -1.164) 1.164 ======================= Grid point 592 (171/171) ======================= q-point: (-1.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -0.000 0.000 -0.000) 0.000 1.467 ( -0.000 -0.000 -0.000) 0.000 1.556 ( 0.000 0.000 -0.000) 0.000 1.820 ( 0.000 0.000 -0.000) 0.000 1.951 ( 0.000 -0.000 -0.000) 0.000 2.022 ( 0.000 0.000 -0.000) 0.000 2.106 ( 0.000 -0.000 -0.000) 0.000 2.117 ( 0.000 0.000 -0.000) 0.000 2.160 ( -0.000 0.000 -0.000) 0.000 3.260 ( -0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.329 ( -0.000 0.000 -0.000) 0.000 3.415 ( 0.000 0.000 -0.000) 0.000 5.032 ( -0.000 0.000 -0.000) 0.000 7.449 ( -0.000 0.000 0.000) 0.000 7.813 ( -0.000 0.000 -0.000) 0.000 7.900 ( -0.000 0.000 -0.000) 0.000 7.957 ( -0.000 0.000 -0.000) 0.000 8.721 ( 0.000 0.000 -0.000) 0.000 8.867 ( 0.000 0.000 -0.000) 0.000 8.965 ( -0.000 0.000 -0.000) 0.000 9.112 ( 0.000 0.000 -0.000) 0.000 9.130 ( 0.000 0.000 -0.000) 0.000 9.171 ( 0.000 0.000 -0.000) 0.000 10.154 ( 0.000 0.000 -0.000) 0.000 10.405 ( 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 92.274 100.996 81.184 -0.000 -0.000 0.000 3/27000 20.0 35.016 33.787 12.379 -0.000 -0.000 0.000 3/27000 30.0 22.579 21.138 5.901 -0.000 -0.000 0.000 3/27000 40.0 17.789 16.440 3.944 -0.000 -0.000 0.000 3/27000 50.0 15.206 13.936 3.001 -0.000 -0.000 0.000 3/27000 60.0 13.449 12.250 2.436 0.000 -0.000 0.000 3/27000 70.0 12.090 10.962 2.057 0.000 -0.000 0.000 3/27000 80.0 10.975 9.918 1.783 0.000 -0.000 0.000 3/27000 90.0 10.036 9.045 1.575 0.000 -0.000 0.000 3/27000 100.0 9.234 8.306 1.412 0.000 -0.000 0.000 3/27000 110.0 8.543 7.671 1.280 0.000 -0.000 0.000 3/27000 120.0 7.943 7.122 1.171 0.000 -0.000 0.000 3/27000 130.0 7.417 6.644 1.079 0.000 -0.000 0.000 3/27000 140.0 6.955 6.223 1.001 0.000 -0.000 0.000 3/27000 150.0 6.544 5.852 0.934 0.000 -0.000 0.000 3/27000 160.0 6.179 5.521 0.876 0.000 -0.000 0.000 3/27000 170.0 5.850 5.224 0.824 0.000 -0.000 0.000 3/27000 180.0 5.555 4.958 0.778 0.000 -0.000 0.000 3/27000 190.0 5.287 4.717 0.737 0.000 -0.000 0.000 3/27000 200.0 5.044 4.498 0.701 0.000 -0.000 0.000 3/27000 210.0 4.821 4.298 0.667 0.000 -0.000 0.000 3/27000 220.0 4.617 4.115 0.637 0.000 -0.000 0.000 3/27000 230.0 4.430 3.947 0.610 0.000 -0.000 0.000 3/27000 240.0 4.257 3.792 0.585 0.000 -0.000 0.000 3/27000 250.0 4.097 3.648 0.561 0.000 -0.000 0.000 3/27000 260.0 3.948 3.515 0.540 0.000 -0.000 0.000 3/27000 270.0 3.810 3.391 0.520 0.000 -0.000 0.000 3/27000 280.0 3.681 3.276 0.502 0.000 -0.000 0.000 3/27000 290.0 3.560 3.168 0.485 0.000 -0.000 0.000 3/27000 300.0 3.447 3.067 0.469 0.000 -0.000 0.000 3/27000 310.0 3.341 2.972 0.454 0.000 -0.000 0.000 3/27000 320.0 3.241 2.883 0.440 0.000 -0.000 0.000 3/27000 330.0 3.147 2.799 0.426 0.000 -0.000 0.000 3/27000 340.0 3.059 2.720 0.414 0.000 -0.000 0.000 3/27000 350.0 2.975 2.645 0.402 0.000 -0.000 0.000 3/27000 360.0 2.895 2.574 0.391 0.000 -0.000 0.000 3/27000 370.0 2.820 2.507 0.381 0.000 -0.000 0.000 3/27000 380.0 2.748 2.443 0.371 0.000 -0.000 0.000 3/27000 390.0 2.680 2.383 0.361 0.000 -0.000 0.000 3/27000 400.0 2.616 2.325 0.352 0.000 -0.000 0.000 3/27000 410.0 2.554 2.270 0.344 0.000 -0.000 0.000 3/27000 420.0 2.495 2.217 0.336 0.000 -0.000 0.000 3/27000 430.0 2.439 2.167 0.328 0.000 -0.000 0.000 3/27000 440.0 2.385 2.119 0.321 0.000 -0.000 0.000 3/27000 450.0 2.334 2.074 0.314 0.000 -0.000 0.000 3/27000 460.0 2.284 2.030 0.307 0.000 -0.000 0.000 3/27000 470.0 2.237 1.988 0.300 0.000 -0.000 0.000 3/27000 480.0 2.192 1.947 0.294 0.000 -0.000 0.000 3/27000 490.0 2.148 1.909 0.288 0.000 -0.000 0.000 3/27000 500.0 2.106 1.871 0.283 0.000 -0.000 0.000 3/27000 510.0 2.066 1.836 0.277 0.000 -0.000 0.000 3/27000 520.0 2.028 1.801 0.272 0.000 -0.000 0.000 3/27000 530.0 1.990 1.768 0.267 0.000 -0.000 0.000 3/27000 540.0 1.954 1.736 0.262 0.000 -0.000 0.000 3/27000 550.0 1.920 1.705 0.257 0.000 -0.000 0.000 3/27000 560.0 1.886 1.675 0.253 0.000 -0.000 0.000 3/27000 570.0 1.854 1.646 0.248 0.000 -0.000 0.000 3/27000 580.0 1.822 1.619 0.244 0.000 -0.000 0.000 3/27000 590.0 1.792 1.592 0.240 0.000 -0.000 0.000 3/27000 600.0 1.763 1.566 0.236 0.000 -0.000 0.000 3/27000 610.0 1.735 1.541 0.232 0.000 -0.000 0.000 3/27000 620.0 1.707 1.516 0.228 0.000 -0.000 0.000 3/27000 630.0 1.681 1.493 0.225 0.000 -0.000 0.000 3/27000 640.0 1.655 1.470 0.221 0.000 -0.000 0.000 3/27000 650.0 1.630 1.447 0.218 0.000 -0.000 0.000 3/27000 660.0 1.606 1.426 0.215 0.000 -0.000 0.000 3/27000 670.0 1.582 1.405 0.211 0.000 -0.000 0.000 3/27000 680.0 1.559 1.385 0.208 0.000 -0.000 0.000 3/27000 690.0 1.537 1.365 0.205 0.000 -0.000 0.000 3/27000 700.0 1.516 1.346 0.202 0.000 -0.000 0.000 3/27000 710.0 1.495 1.327 0.200 0.000 -0.000 0.000 3/27000 720.0 1.474 1.309 0.197 0.000 -0.000 0.000 3/27000 730.0 1.455 1.291 0.194 0.000 -0.000 0.000 3/27000 740.0 1.435 1.274 0.192 0.000 -0.000 0.000 3/27000 750.0 1.416 1.258 0.189 0.000 -0.000 0.000 3/27000 760.0 1.398 1.241 0.187 0.000 -0.000 0.000 3/27000 770.0 1.380 1.225 0.184 0.000 -0.000 0.000 3/27000 780.0 1.363 1.210 0.182 0.000 -0.000 0.000 3/27000 790.0 1.346 1.195 0.180 0.000 -0.000 0.000 3/27000 800.0 1.329 1.180 0.177 0.000 -0.000 0.000 3/27000 810.0 1.313 1.166 0.175 0.000 -0.000 0.000 3/27000 820.0 1.297 1.152 0.173 0.000 -0.000 0.000 3/27000 830.0 1.282 1.138 0.171 0.000 -0.000 0.000 3/27000 840.0 1.267 1.125 0.169 0.000 -0.000 0.000 3/27000 850.0 1.252 1.112 0.167 0.000 -0.000 0.000 3/27000 860.0 1.238 1.099 0.165 0.000 -0.000 0.000 3/27000 870.0 1.224 1.086 0.163 0.000 -0.000 0.000 3/27000 880.0 1.210 1.074 0.161 0.000 -0.000 0.000 3/27000 890.0 1.197 1.062 0.160 0.000 -0.000 0.000 3/27000 900.0 1.184 1.051 0.158 0.000 -0.000 0.000 3/27000 910.0 1.171 1.039 0.156 0.000 -0.000 0.000 3/27000 920.0 1.158 1.028 0.154 0.000 -0.000 0.000 3/27000 930.0 1.146 1.017 0.153 0.000 -0.000 0.000 3/27000 940.0 1.134 1.006 0.151 0.000 -0.000 0.000 3/27000 950.0 1.122 0.996 0.150 0.000 -0.000 0.000 3/27000 960.0 1.111 0.986 0.148 0.000 -0.000 0.000 3/27000 970.0 1.099 0.976 0.146 0.000 -0.000 0.000 3/27000 980.0 1.088 0.966 0.145 0.000 -0.000 0.000 3/27000 990.0 1.077 0.956 0.144 0.000 -0.000 0.000 3/27000 1000.0 1.067 0.947 0.142 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 23:57:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|