----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:49:03]------------------------- 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 5.300351255000000 6.912525565000000 b 3.126049695000000 0.000000000000000 6.912525565000000 c 3.126049695000000 5.300351255000000 0.000000000000000 Atomic positions (fractional): *1 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 *2 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 3 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 *4 Cs 0.16000535834780 0.16000535834780 0.83999464165220 132.905 5 Cs 0.83999464165220 0.83999464165220 0.16000535834780 132.905 *6 S 0.55913100595489 0.22282940657200 0.77717059342800 32.065 7 S 0.22282940657200 0.55913100595489 0.44086899404511 32.065 8 S 0.44086899404511 0.77717059342800 0.22282940657200 32.065 9 S 0.77717059342800 0.44086899404511 0.55913100595489 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.252099390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.600702510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.825051130000000 Atomic positions (fractional): *1 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 1 *2 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 2 3 Pd 0.75000000000000 0.25000000000000 0.00000000000000 106.420 > 3 4 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 1 5 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 2 6 Pd 0.75000000000000 0.75000000000000 0.50000000000000 106.420 > 3 7 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 1 8 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 2 9 Pd 0.25000000000000 0.25000000000000 0.50000000000000 106.420 > 3 10 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 1 11 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 2 12 Pd 0.25000000000000 0.75000000000000 0.00000000000000 106.420 > 3 *13 Cs 0.00000000000000 0.00000000000000 0.16000535834780 132.905 > 4 14 Cs 0.50000000000000 0.00000000000000 0.33999464165220 132.905 > 5 15 Cs 0.00000000000000 0.50000000000000 0.66000535834780 132.905 > 4 16 Cs 0.50000000000000 0.50000000000000 0.83999464165220 132.905 > 5 17 Cs 0.50000000000000 0.00000000000000 0.66000535834780 132.905 > 4 18 Cs 0.00000000000000 0.00000000000000 0.83999464165220 132.905 > 5 19 Cs 0.50000000000000 0.50000000000000 0.16000535834780 132.905 > 4 20 Cs 0.00000000000000 0.50000000000000 0.33999464165220 132.905 > 5 *21 S 0.00000000000000 0.16815079969144 0.39098020626344 32.065 > 6 22 S 0.00000000000000 0.83184920030856 0.39098020626344 32.065 > 7 23 S 0.50000000000000 0.83184920030856 0.10901979373656 32.065 > 8 24 S 0.50000000000000 0.16815079969144 0.10901979373656 32.065 > 9 25 S 0.00000000000000 0.66815079969144 0.89098020626344 32.065 > 6 26 S 0.00000000000000 0.33184920030856 0.89098020626344 32.065 > 7 27 S 0.50000000000000 0.33184920030856 0.60901979373656 32.065 > 8 28 S 0.50000000000000 0.66815079969144 0.60901979373656 32.065 > 9 29 S 0.50000000000000 0.16815079969144 0.89098020626344 32.065 > 6 30 S 0.50000000000000 0.83184920030856 0.89098020626344 32.065 > 7 31 S 0.00000000000000 0.83184920030856 0.60901979373656 32.065 > 8 32 S 0.00000000000000 0.16815079969144 0.60901979373656 32.065 > 9 33 S 0.50000000000000 0.66815079969144 0.39098020626344 32.065 > 6 34 S 0.50000000000000 0.33184920030856 0.39098020626344 32.065 > 7 35 S 0.00000000000000 0.33184920030856 0.10901979373656 32.065 > 8 36 S 0.00000000000000 0.66815079969144 0.10901979373656 32.065 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.504198779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 21.201405019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.825051130000000 Atomic positions (fractional): *1 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 1 2 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 1 3 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 1 4 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 1 *5 Pd 0.37500000000000 0.37500000000000 0.00000000000000 106.420 > 2 6 Pd 0.87500000000000 0.37500000000000 0.00000000000000 106.420 > 2 7 Pd 0.37500000000000 0.87500000000000 0.00000000000000 106.420 > 2 8 Pd 0.87500000000000 0.87500000000000 0.00000000000000 106.420 > 2 9 Pd 0.37500000000000 0.12500000000000 0.00000000000000 106.420 > 3 10 Pd 0.87500000000000 0.12500000000000 0.00000000000000 106.420 > 3 11 Pd 0.37500000000000 0.62500000000000 0.00000000000000 106.420 > 3 12 Pd 0.87500000000000 0.62500000000000 0.00000000000000 106.420 > 3 13 Pd 0.25000000000000 0.25000000000000 0.50000000000000 106.420 > 1 14 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 1 15 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 1 16 Pd 0.75000000000000 0.75000000000000 0.50000000000000 106.420 > 1 17 Pd 0.37500000000000 0.12500000000000 0.50000000000000 106.420 > 2 18 Pd 0.87500000000000 0.12500000000000 0.50000000000000 106.420 > 2 19 Pd 0.37500000000000 0.62500000000000 0.50000000000000 106.420 > 2 20 Pd 0.87500000000000 0.62500000000000 0.50000000000000 106.420 > 2 21 Pd 0.37500000000000 0.37500000000000 0.50000000000000 106.420 > 3 22 Pd 0.87500000000000 0.37500000000000 0.50000000000000 106.420 > 3 23 Pd 0.37500000000000 0.87500000000000 0.50000000000000 106.420 > 3 24 Pd 0.87500000000000 0.87500000000000 0.50000000000000 106.420 > 3 25 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 1 26 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 1 27 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 1 28 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 1 29 Pd 0.12500000000000 0.37500000000000 0.50000000000000 106.420 > 2 30 Pd 0.62500000000000 0.37500000000000 0.50000000000000 106.420 > 2 31 Pd 0.12500000000000 0.87500000000000 0.50000000000000 106.420 > 2 32 Pd 0.62500000000000 0.87500000000000 0.50000000000000 106.420 > 2 33 Pd 0.12500000000000 0.12500000000000 0.50000000000000 106.420 > 3 34 Pd 0.62500000000000 0.12500000000000 0.50000000000000 106.420 > 3 35 Pd 0.12500000000000 0.62500000000000 0.50000000000000 106.420 > 3 36 Pd 0.62500000000000 0.62500000000000 0.50000000000000 106.420 > 3 37 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 1 38 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 1 39 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 1 40 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 1 41 Pd 0.12500000000000 0.12500000000000 0.00000000000000 106.420 > 2 42 Pd 0.62500000000000 0.12500000000000 0.00000000000000 106.420 > 2 43 Pd 0.12500000000000 0.62500000000000 0.00000000000000 106.420 > 2 44 Pd 0.62500000000000 0.62500000000000 0.00000000000000 106.420 > 2 45 Pd 0.12500000000000 0.37500000000000 0.00000000000000 106.420 > 3 46 Pd 0.62500000000000 0.37500000000000 0.00000000000000 106.420 > 3 47 Pd 0.12500000000000 0.87500000000000 0.00000000000000 106.420 > 3 48 Pd 0.62500000000000 0.87500000000000 0.00000000000000 106.420 > 3 *49 Cs 0.00000000000000 0.00000000000000 0.16000535834780 132.905 > 4 50 Cs 0.50000000000000 0.00000000000000 0.16000535834780 132.905 > 4 51 Cs 0.00000000000000 0.50000000000000 0.16000535834780 132.905 > 4 52 Cs 0.50000000000000 0.50000000000000 0.16000535834780 132.905 > 4 53 Cs 0.25000000000000 0.00000000000000 0.33999464165220 132.905 > 5 54 Cs 0.75000000000000 0.00000000000000 0.33999464165220 132.905 > 5 55 Cs 0.25000000000000 0.50000000000000 0.33999464165220 132.905 > 5 56 Cs 0.75000000000000 0.50000000000000 0.33999464165220 132.905 > 5 57 Cs 0.00000000000000 0.25000000000000 0.66000535834780 132.905 > 4 58 Cs 0.50000000000000 0.25000000000000 0.66000535834780 132.905 > 4 59 Cs 0.00000000000000 0.75000000000000 0.66000535834780 132.905 > 4 60 Cs 0.50000000000000 0.75000000000000 0.66000535834780 132.905 > 4 61 Cs 0.25000000000000 0.25000000000000 0.83999464165220 132.905 > 5 62 Cs 0.75000000000000 0.25000000000000 0.83999464165220 132.905 > 5 63 Cs 0.25000000000000 0.75000000000000 0.83999464165220 132.905 > 5 64 Cs 0.75000000000000 0.75000000000000 0.83999464165220 132.905 > 5 65 Cs 0.25000000000000 0.00000000000000 0.66000535834780 132.905 > 4 66 Cs 0.75000000000000 0.00000000000000 0.66000535834780 132.905 > 4 67 Cs 0.25000000000000 0.50000000000000 0.66000535834780 132.905 > 4 68 Cs 0.75000000000000 0.50000000000000 0.66000535834780 132.905 > 4 69 Cs 0.00000000000000 0.00000000000000 0.83999464165220 132.905 > 5 70 Cs 0.50000000000000 0.00000000000000 0.83999464165220 132.905 > 5 71 Cs 0.00000000000000 0.50000000000000 0.83999464165220 132.905 > 5 72 Cs 0.50000000000000 0.50000000000000 0.83999464165220 132.905 > 5 73 Cs 0.25000000000000 0.25000000000000 0.16000535834780 132.905 > 4 74 Cs 0.75000000000000 0.25000000000000 0.16000535834780 132.905 > 4 75 Cs 0.25000000000000 0.75000000000000 0.16000535834780 132.905 > 4 76 Cs 0.75000000000000 0.75000000000000 0.16000535834780 132.905 > 4 77 Cs 0.00000000000000 0.25000000000000 0.33999464165220 132.905 > 5 78 Cs 0.50000000000000 0.25000000000000 0.33999464165220 132.905 > 5 79 Cs 0.00000000000000 0.75000000000000 0.33999464165220 132.905 > 5 80 Cs 0.50000000000000 0.75000000000000 0.33999464165220 132.905 > 5 *81 S 0.00000000000000 0.08407539984572 0.39098020626344 32.065 > 6 82 S 0.50000000000000 0.08407539984572 0.39098020626344 32.065 > 6 83 S 0.00000000000000 0.58407539984572 0.39098020626344 32.065 > 6 84 S 0.50000000000000 0.58407539984572 0.39098020626344 32.065 > 6 85 S 0.00000000000000 0.41592460015428 0.39098020626344 32.065 > 7 86 S 0.50000000000000 0.41592460015428 0.39098020626344 32.065 > 7 87 S 0.00000000000000 0.91592460015428 0.39098020626344 32.065 > 7 88 S 0.50000000000000 0.91592460015428 0.39098020626344 32.065 > 7 89 S 0.25000000000000 0.41592460015428 0.10901979373656 32.065 > 8 90 S 0.75000000000000 0.41592460015428 0.10901979373656 32.065 > 8 91 S 0.25000000000000 0.91592460015428 0.10901979373656 32.065 > 8 92 S 0.75000000000000 0.91592460015428 0.10901979373656 32.065 > 8 93 S 0.25000000000000 0.08407539984572 0.10901979373656 32.065 > 9 94 S 0.75000000000000 0.08407539984572 0.10901979373656 32.065 > 9 95 S 0.25000000000000 0.58407539984572 0.10901979373656 32.065 > 9 96 S 0.75000000000000 0.58407539984572 0.10901979373656 32.065 > 9 97 S 0.00000000000000 0.33407539984572 0.89098020626344 32.065 > 6 98 S 0.50000000000000 0.33407539984572 0.89098020626344 32.065 > 6 99 S 0.00000000000000 0.83407539984572 0.89098020626344 32.065 > 6 100 S 0.50000000000000 0.83407539984572 0.89098020626344 32.065 > 6 101 S 0.00000000000000 0.16592460015428 0.89098020626344 32.065 > 7 102 S 0.50000000000000 0.16592460015428 0.89098020626344 32.065 > 7 103 S 0.00000000000000 0.66592460015428 0.89098020626344 32.065 > 7 104 S 0.50000000000000 0.66592460015428 0.89098020626344 32.065 > 7 105 S 0.25000000000000 0.16592460015428 0.60901979373656 32.065 > 8 106 S 0.75000000000000 0.16592460015428 0.60901979373656 32.065 > 8 107 S 0.25000000000000 0.66592460015428 0.60901979373656 32.065 > 8 108 S 0.75000000000000 0.66592460015428 0.60901979373656 32.065 > 8 109 S 0.25000000000000 0.33407539984572 0.60901979373656 32.065 > 9 110 S 0.75000000000000 0.33407539984572 0.60901979373656 32.065 > 9 111 S 0.25000000000000 0.83407539984572 0.60901979373656 32.065 > 9 112 S 0.75000000000000 0.83407539984572 0.60901979373656 32.065 > 9 113 S 0.25000000000000 0.08407539984572 0.89098020626344 32.065 > 6 114 S 0.75000000000000 0.08407539984572 0.89098020626344 32.065 > 6 115 S 0.25000000000000 0.58407539984572 0.89098020626344 32.065 > 6 116 S 0.75000000000000 0.58407539984572 0.89098020626344 32.065 > 6 117 S 0.25000000000000 0.41592460015428 0.89098020626344 32.065 > 7 118 S 0.75000000000000 0.41592460015428 0.89098020626344 32.065 > 7 119 S 0.25000000000000 0.91592460015428 0.89098020626344 32.065 > 7 120 S 0.75000000000000 0.91592460015428 0.89098020626344 32.065 > 7 121 S 0.00000000000000 0.41592460015428 0.60901979373656 32.065 > 8 122 S 0.50000000000000 0.41592460015428 0.60901979373656 32.065 > 8 123 S 0.00000000000000 0.91592460015428 0.60901979373656 32.065 > 8 124 S 0.50000000000000 0.91592460015428 0.60901979373656 32.065 > 8 125 S 0.00000000000000 0.08407539984572 0.60901979373656 32.065 > 9 126 S 0.50000000000000 0.08407539984572 0.60901979373656 32.065 > 9 127 S 0.00000000000000 0.58407539984572 0.60901979373656 32.065 > 9 128 S 0.50000000000000 0.58407539984572 0.60901979373656 32.065 > 9 129 S 0.25000000000000 0.33407539984572 0.39098020626344 32.065 > 6 130 S 0.75000000000000 0.33407539984572 0.39098020626344 32.065 > 6 131 S 0.25000000000000 0.83407539984572 0.39098020626344 32.065 > 6 132 S 0.75000000000000 0.83407539984572 0.39098020626344 32.065 > 6 133 S 0.25000000000000 0.16592460015428 0.39098020626344 32.065 > 7 134 S 0.75000000000000 0.16592460015428 0.39098020626344 32.065 > 7 135 S 0.25000000000000 0.66592460015428 0.39098020626344 32.065 > 7 136 S 0.75000000000000 0.66592460015428 0.39098020626344 32.065 > 7 137 S 0.00000000000000 0.16592460015428 0.10901979373656 32.065 > 8 138 S 0.50000000000000 0.16592460015428 0.10901979373656 32.065 > 8 139 S 0.00000000000000 0.66592460015428 0.10901979373656 32.065 > 8 140 S 0.50000000000000 0.66592460015428 0.10901979373656 32.065 > 8 141 S 0.00000000000000 0.33407539984572 0.10901979373656 32.065 > 9 142 S 0.50000000000000 0.33407539984572 0.10901979373656 32.065 > 9 143 S 0.00000000000000 0.83407539984572 0.10901979373656 32.065 > 9 144 S 0.50000000000000 0.83407539984572 0.10901979373656 32.065 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4611546 0.0000000 0.0000000 0.0000000 7.5578663 0.0000000 0.0000000 0.0000000 4.7290997 -------------------------- Born effective charges -------------------------- 1 Pd -0.4589109 0.0000000 0.0000000 0.0000000 1.0228211 0.0000000 0.0000000 0.0000000 0.3772015 2 Pd 0.7250107 -0.7077222 0.0000000 -0.7475285 -0.0797747 0.0000000 0.0000000 0.0000000 0.3553844 3 Pd 0.7250107 0.7077222 0.0000000 0.7475285 -0.0797747 0.0000000 0.0000000 0.0000000 0.3553844 4 Cs 1.4488895 0.0000000 0.0000000 0.0000000 1.6425657 0.0000000 0.0000000 0.0000000 1.4298321 5 Cs 1.4488895 0.0000000 0.0000000 0.0000000 1.6425657 0.0000000 0.0000000 0.0000000 1.4298321 6 S -0.9722224 0.0000000 0.0000000 0.0000000 -1.0371008 -0.1252216 0.0000000 -0.0358428 -0.9869086 7 S -0.9722224 0.0000000 0.0000000 0.0000000 -1.0371008 0.1252216 0.0000000 0.0358428 -0.9869086 8 S -0.9722224 0.0000000 0.0000000 0.0000000 -1.0371008 -0.1252216 0.0000000 -0.0358428 -0.9869086 9 S -0.9722224 0.0000000 0.0000000 0.0000000 -1.0371008 0.1252216 0.0000000 0.0358428 -0.9869086 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (1, 1), data: True |-- (100, 100), data: True |-- (128, 126), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 1.190 Solver_block: 160 / 160 - Time: 0.736 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.007 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (1, 1), data: True |-- (100, 100), data: True |-- (128, 126), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:49:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:49:16]------------------------- 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 5.300351255000000 6.912525565000000 b 3.126049695000000 0.000000000000000 6.912525565000000 c 3.126049695000000 5.300351255000000 0.000000000000000 Atomic positions (fractional): 1 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 2 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 3 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 4 Cs 0.16000535834780 0.16000535834780 0.83999464165220 132.905 5 Cs 0.83999464165220 0.83999464165220 0.16000535834780 132.905 6 S 0.55913100595489 0.22282940657200 0.77717059342800 32.065 7 S 0.22282940657200 0.55913100595489 0.44086899404511 32.065 8 S 0.44086899404511 0.77717059342800 0.22282940657200 32.065 9 S 0.77717059342800 0.44086899404511 0.55913100595489 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.504198779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 21.201405019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.825051130000000 Atomic positions (fractional): 1 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 1 2 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 1 3 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 1 4 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 1 5 Pd 0.37500000000000 0.37500000000000 0.00000000000000 106.420 > 5 6 Pd 0.87500000000000 0.37500000000000 0.00000000000000 106.420 > 5 7 Pd 0.37500000000000 0.87500000000000 0.00000000000000 106.420 > 5 8 Pd 0.87500000000000 0.87500000000000 0.00000000000000 106.420 > 5 9 Pd 0.37500000000000 0.12500000000000 0.00000000000000 106.420 > 9 10 Pd 0.87500000000000 0.12500000000000 0.00000000000000 106.420 > 9 11 Pd 0.37500000000000 0.62500000000000 0.00000000000000 106.420 > 9 12 Pd 0.87500000000000 0.62500000000000 0.00000000000000 106.420 > 9 13 Pd 0.25000000000000 0.25000000000000 0.50000000000000 106.420 > 1 14 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 1 15 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 1 16 Pd 0.75000000000000 0.75000000000000 0.50000000000000 106.420 > 1 17 Pd 0.37500000000000 0.12500000000000 0.50000000000000 106.420 > 5 18 Pd 0.87500000000000 0.12500000000000 0.50000000000000 106.420 > 5 19 Pd 0.37500000000000 0.62500000000000 0.50000000000000 106.420 > 5 20 Pd 0.87500000000000 0.62500000000000 0.50000000000000 106.420 > 5 21 Pd 0.37500000000000 0.37500000000000 0.50000000000000 106.420 > 9 22 Pd 0.87500000000000 0.37500000000000 0.50000000000000 106.420 > 9 23 Pd 0.37500000000000 0.87500000000000 0.50000000000000 106.420 > 9 24 Pd 0.87500000000000 0.87500000000000 0.50000000000000 106.420 > 9 25 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 1 26 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 1 27 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 1 28 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 1 29 Pd 0.12500000000000 0.37500000000000 0.50000000000000 106.420 > 5 30 Pd 0.62500000000000 0.37500000000000 0.50000000000000 106.420 > 5 31 Pd 0.12500000000000 0.87500000000000 0.50000000000000 106.420 > 5 32 Pd 0.62500000000000 0.87500000000000 0.50000000000000 106.420 > 5 33 Pd 0.12500000000000 0.12500000000000 0.50000000000000 106.420 > 9 34 Pd 0.62500000000000 0.12500000000000 0.50000000000000 106.420 > 9 35 Pd 0.12500000000000 0.62500000000000 0.50000000000000 106.420 > 9 36 Pd 0.62500000000000 0.62500000000000 0.50000000000000 106.420 > 9 37 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 1 38 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 1 39 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 1 40 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 1 41 Pd 0.12500000000000 0.12500000000000 0.00000000000000 106.420 > 5 42 Pd 0.62500000000000 0.12500000000000 0.00000000000000 106.420 > 5 43 Pd 0.12500000000000 0.62500000000000 0.00000000000000 106.420 > 5 44 Pd 0.62500000000000 0.62500000000000 0.00000000000000 106.420 > 5 45 Pd 0.12500000000000 0.37500000000000 0.00000000000000 106.420 > 9 46 Pd 0.62500000000000 0.37500000000000 0.00000000000000 106.420 > 9 47 Pd 0.12500000000000 0.87500000000000 0.00000000000000 106.420 > 9 48 Pd 0.62500000000000 0.87500000000000 0.00000000000000 106.420 > 9 49 Cs 0.00000000000000 0.00000000000000 0.16000535834780 132.905 > 49 50 Cs 0.50000000000000 0.00000000000000 0.16000535834780 132.905 > 49 51 Cs 0.00000000000000 0.50000000000000 0.16000535834780 132.905 > 49 52 Cs 0.50000000000000 0.50000000000000 0.16000535834780 132.905 > 49 53 Cs 0.25000000000000 0.00000000000000 0.33999464165220 132.905 > 53 54 Cs 0.75000000000000 0.00000000000000 0.33999464165220 132.905 > 53 55 Cs 0.25000000000000 0.50000000000000 0.33999464165220 132.905 > 53 56 Cs 0.75000000000000 0.50000000000000 0.33999464165220 132.905 > 53 57 Cs 0.00000000000000 0.25000000000000 0.66000535834780 132.905 > 49 58 Cs 0.50000000000000 0.25000000000000 0.66000535834780 132.905 > 49 59 Cs 0.00000000000000 0.75000000000000 0.66000535834780 132.905 > 49 60 Cs 0.50000000000000 0.75000000000000 0.66000535834780 132.905 > 49 61 Cs 0.25000000000000 0.25000000000000 0.83999464165220 132.905 > 53 62 Cs 0.75000000000000 0.25000000000000 0.83999464165220 132.905 > 53 63 Cs 0.25000000000000 0.75000000000000 0.83999464165220 132.905 > 53 64 Cs 0.75000000000000 0.75000000000000 0.83999464165220 132.905 > 53 65 Cs 0.25000000000000 0.00000000000000 0.66000535834780 132.905 > 49 66 Cs 0.75000000000000 0.00000000000000 0.66000535834780 132.905 > 49 67 Cs 0.25000000000000 0.50000000000000 0.66000535834780 132.905 > 49 68 Cs 0.75000000000000 0.50000000000000 0.66000535834780 132.905 > 49 69 Cs 0.00000000000000 0.00000000000000 0.83999464165220 132.905 > 53 70 Cs 0.50000000000000 0.00000000000000 0.83999464165220 132.905 > 53 71 Cs 0.00000000000000 0.50000000000000 0.83999464165220 132.905 > 53 72 Cs 0.50000000000000 0.50000000000000 0.83999464165220 132.905 > 53 73 Cs 0.25000000000000 0.25000000000000 0.16000535834780 132.905 > 49 74 Cs 0.75000000000000 0.25000000000000 0.16000535834780 132.905 > 49 75 Cs 0.25000000000000 0.75000000000000 0.16000535834780 132.905 > 49 76 Cs 0.75000000000000 0.75000000000000 0.16000535834780 132.905 > 49 77 Cs 0.00000000000000 0.25000000000000 0.33999464165220 132.905 > 53 78 Cs 0.50000000000000 0.25000000000000 0.33999464165220 132.905 > 53 79 Cs 0.00000000000000 0.75000000000000 0.33999464165220 132.905 > 53 80 Cs 0.50000000000000 0.75000000000000 0.33999464165220 132.905 > 53 81 S 0.00000000000000 0.08407539984572 0.39098020626344 32.065 > 81 82 S 0.50000000000000 0.08407539984572 0.39098020626344 32.065 > 81 83 S 0.00000000000000 0.58407539984572 0.39098020626344 32.065 > 81 84 S 0.50000000000000 0.58407539984572 0.39098020626344 32.065 > 81 85 S 0.00000000000000 0.41592460015428 0.39098020626344 32.065 > 85 86 S 0.50000000000000 0.41592460015428 0.39098020626344 32.065 > 85 87 S 0.00000000000000 0.91592460015428 0.39098020626344 32.065 > 85 88 S 0.50000000000000 0.91592460015428 0.39098020626344 32.065 > 85 89 S 0.25000000000000 0.41592460015428 0.10901979373656 32.065 > 89 90 S 0.75000000000000 0.41592460015428 0.10901979373656 32.065 > 89 91 S 0.25000000000000 0.91592460015428 0.10901979373656 32.065 > 89 92 S 0.75000000000000 0.91592460015428 0.10901979373656 32.065 > 89 93 S 0.25000000000000 0.08407539984572 0.10901979373656 32.065 > 93 94 S 0.75000000000000 0.08407539984572 0.10901979373656 32.065 > 93 95 S 0.25000000000000 0.58407539984572 0.10901979373656 32.065 > 93 96 S 0.75000000000000 0.58407539984572 0.10901979373656 32.065 > 93 97 S 0.00000000000000 0.33407539984572 0.89098020626344 32.065 > 81 98 S 0.50000000000000 0.33407539984572 0.89098020626344 32.065 > 81 99 S 0.00000000000000 0.83407539984572 0.89098020626344 32.065 > 81 100 S 0.50000000000000 0.83407539984572 0.89098020626344 32.065 > 81 101 S 0.00000000000000 0.16592460015428 0.89098020626344 32.065 > 85 102 S 0.50000000000000 0.16592460015428 0.89098020626344 32.065 > 85 103 S 0.00000000000000 0.66592460015428 0.89098020626344 32.065 > 85 104 S 0.50000000000000 0.66592460015428 0.89098020626344 32.065 > 85 105 S 0.25000000000000 0.16592460015428 0.60901979373656 32.065 > 89 106 S 0.75000000000000 0.16592460015428 0.60901979373656 32.065 > 89 107 S 0.25000000000000 0.66592460015428 0.60901979373656 32.065 > 89 108 S 0.75000000000000 0.66592460015428 0.60901979373656 32.065 > 89 109 S 0.25000000000000 0.33407539984572 0.60901979373656 32.065 > 93 110 S 0.75000000000000 0.33407539984572 0.60901979373656 32.065 > 93 111 S 0.25000000000000 0.83407539984572 0.60901979373656 32.065 > 93 112 S 0.75000000000000 0.83407539984572 0.60901979373656 32.065 > 93 113 S 0.25000000000000 0.08407539984572 0.89098020626344 32.065 > 81 114 S 0.75000000000000 0.08407539984572 0.89098020626344 32.065 > 81 115 S 0.25000000000000 0.58407539984572 0.89098020626344 32.065 > 81 116 S 0.75000000000000 0.58407539984572 0.89098020626344 32.065 > 81 117 S 0.25000000000000 0.41592460015428 0.89098020626344 32.065 > 85 118 S 0.75000000000000 0.41592460015428 0.89098020626344 32.065 > 85 119 S 0.25000000000000 0.91592460015428 0.89098020626344 32.065 > 85 120 S 0.75000000000000 0.91592460015428 0.89098020626344 32.065 > 85 121 S 0.00000000000000 0.41592460015428 0.60901979373656 32.065 > 89 122 S 0.50000000000000 0.41592460015428 0.60901979373656 32.065 > 89 123 S 0.00000000000000 0.91592460015428 0.60901979373656 32.065 > 89 124 S 0.50000000000000 0.91592460015428 0.60901979373656 32.065 > 89 125 S 0.00000000000000 0.08407539984572 0.60901979373656 32.065 > 93 126 S 0.50000000000000 0.08407539984572 0.60901979373656 32.065 > 93 127 S 0.00000000000000 0.58407539984572 0.60901979373656 32.065 > 93 128 S 0.50000000000000 0.58407539984572 0.60901979373656 32.065 > 93 129 S 0.25000000000000 0.33407539984572 0.39098020626344 32.065 > 81 130 S 0.75000000000000 0.33407539984572 0.39098020626344 32.065 > 81 131 S 0.25000000000000 0.83407539984572 0.39098020626344 32.065 > 81 132 S 0.75000000000000 0.83407539984572 0.39098020626344 32.065 > 81 133 S 0.25000000000000 0.16592460015428 0.39098020626344 32.065 > 85 134 S 0.75000000000000 0.16592460015428 0.39098020626344 32.065 > 85 135 S 0.25000000000000 0.66592460015428 0.39098020626344 32.065 > 85 136 S 0.75000000000000 0.66592460015428 0.39098020626344 32.065 > 85 137 S 0.00000000000000 0.16592460015428 0.10901979373656 32.065 > 89 138 S 0.50000000000000 0.16592460015428 0.10901979373656 32.065 > 89 139 S 0.00000000000000 0.66592460015428 0.10901979373656 32.065 > 89 140 S 0.50000000000000 0.66592460015428 0.10901979373656 32.065 > 89 141 S 0.00000000000000 0.33407539984572 0.10901979373656 32.065 > 93 142 S 0.50000000000000 0.33407539984572 0.10901979373656 32.065 > 93 143 S 0.00000000000000 0.83407539984572 0.10901979373656 32.065 > 93 144 S 0.50000000000000 0.83407539984572 0.10901979373656 32.065 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4611546 0.0000000 0.0000000 0.0000000 7.5578663 0.0000000 0.0000000 0.0000000 4.7290997 -------------------------- Born effective charges -------------------------- 1 Pd -0.4589109 0.0000000 0.0000000 0.0000000 1.0228211 0.0000000 0.0000000 0.0000000 0.3772015 2 Pd 0.7250107 -0.7077222 0.0000000 -0.7475285 -0.0797747 0.0000000 0.0000000 0.0000000 0.3553844 3 Pd 0.7250107 0.7077222 0.0000000 0.7475285 -0.0797747 0.0000000 0.0000000 0.0000000 0.3553844 4 Cs 1.4488895 0.0000000 0.0000000 0.0000000 1.6425657 0.0000000 0.0000000 0.0000000 1.4298321 5 Cs 1.4488895 0.0000000 0.0000000 0.0000000 1.6425657 0.0000000 0.0000000 0.0000000 1.4298321 6 S -0.9722224 0.0000000 0.0000000 0.0000000 -1.0371008 -0.1252216 0.0000000 -0.0358428 -0.9869086 7 S -0.9722224 0.0000000 0.0000000 0.0000000 -1.0371008 0.1252216 0.0000000 0.0358428 -0.9869086 8 S -0.9722224 0.0000000 0.0000000 0.0000000 -1.0371008 -0.1252216 0.0000000 -0.0358428 -0.9869086 9 S -0.9722224 0.0000000 0.0000000 0.0000000 -1.0371008 0.1252216 0.0000000 0.0358428 -0.9869086 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xzx) -0.00000002 (xzx) -0.00000002 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:49:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:49:32]------------------------- 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 5.300351255000000 6.912525565000000 b 3.126049695000000 0.000000000000000 6.912525565000000 c 3.126049695000000 5.300351255000000 0.000000000000000 Atomic positions (fractional): 1 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 2 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 3 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 4 Cs 0.16000535834780 0.16000535834780 0.83999464165220 132.905 5 Cs 0.83999464165220 0.83999464165220 0.16000535834780 132.905 6 S 0.55913100595489 0.22282940657200 0.77717059342800 32.065 7 S 0.22282940657200 0.55913100595489 0.44086899404511 32.065 8 S 0.44086899404511 0.77717059342800 0.22282940657200 32.065 9 S 0.77717059342800 0.44086899404511 0.55913100595489 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.504198779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 21.201405019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.825051130000000 Atomic positions (fractional): 1 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 1 2 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 1 3 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 1 4 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 1 5 Pd 0.37500000000000 0.37500000000000 0.00000000000000 106.420 > 5 6 Pd 0.87500000000000 0.37500000000000 0.00000000000000 106.420 > 5 7 Pd 0.37500000000000 0.87500000000000 0.00000000000000 106.420 > 5 8 Pd 0.87500000000000 0.87500000000000 0.00000000000000 106.420 > 5 9 Pd 0.37500000000000 0.12500000000000 0.00000000000000 106.420 > 9 10 Pd 0.87500000000000 0.12500000000000 0.00000000000000 106.420 > 9 11 Pd 0.37500000000000 0.62500000000000 0.00000000000000 106.420 > 9 12 Pd 0.87500000000000 0.62500000000000 0.00000000000000 106.420 > 9 13 Pd 0.25000000000000 0.25000000000000 0.50000000000000 106.420 > 1 14 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 1 15 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 1 16 Pd 0.75000000000000 0.75000000000000 0.50000000000000 106.420 > 1 17 Pd 0.37500000000000 0.12500000000000 0.50000000000000 106.420 > 5 18 Pd 0.87500000000000 0.12500000000000 0.50000000000000 106.420 > 5 19 Pd 0.37500000000000 0.62500000000000 0.50000000000000 106.420 > 5 20 Pd 0.87500000000000 0.62500000000000 0.50000000000000 106.420 > 5 21 Pd 0.37500000000000 0.37500000000000 0.50000000000000 106.420 > 9 22 Pd 0.87500000000000 0.37500000000000 0.50000000000000 106.420 > 9 23 Pd 0.37500000000000 0.87500000000000 0.50000000000000 106.420 > 9 24 Pd 0.87500000000000 0.87500000000000 0.50000000000000 106.420 > 9 25 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 1 26 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 1 27 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 1 28 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 1 29 Pd 0.12500000000000 0.37500000000000 0.50000000000000 106.420 > 5 30 Pd 0.62500000000000 0.37500000000000 0.50000000000000 106.420 > 5 31 Pd 0.12500000000000 0.87500000000000 0.50000000000000 106.420 > 5 32 Pd 0.62500000000000 0.87500000000000 0.50000000000000 106.420 > 5 33 Pd 0.12500000000000 0.12500000000000 0.50000000000000 106.420 > 9 34 Pd 0.62500000000000 0.12500000000000 0.50000000000000 106.420 > 9 35 Pd 0.12500000000000 0.62500000000000 0.50000000000000 106.420 > 9 36 Pd 0.62500000000000 0.62500000000000 0.50000000000000 106.420 > 9 37 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 1 38 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 1 39 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 1 40 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 1 41 Pd 0.12500000000000 0.12500000000000 0.00000000000000 106.420 > 5 42 Pd 0.62500000000000 0.12500000000000 0.00000000000000 106.420 > 5 43 Pd 0.12500000000000 0.62500000000000 0.00000000000000 106.420 > 5 44 Pd 0.62500000000000 0.62500000000000 0.00000000000000 106.420 > 5 45 Pd 0.12500000000000 0.37500000000000 0.00000000000000 106.420 > 9 46 Pd 0.62500000000000 0.37500000000000 0.00000000000000 106.420 > 9 47 Pd 0.12500000000000 0.87500000000000 0.00000000000000 106.420 > 9 48 Pd 0.62500000000000 0.87500000000000 0.00000000000000 106.420 > 9 49 Cs 0.00000000000000 0.00000000000000 0.16000535834780 132.905 > 49 50 Cs 0.50000000000000 0.00000000000000 0.16000535834780 132.905 > 49 51 Cs 0.00000000000000 0.50000000000000 0.16000535834780 132.905 > 49 52 Cs 0.50000000000000 0.50000000000000 0.16000535834780 132.905 > 49 53 Cs 0.25000000000000 0.00000000000000 0.33999464165220 132.905 > 53 54 Cs 0.75000000000000 0.00000000000000 0.33999464165220 132.905 > 53 55 Cs 0.25000000000000 0.50000000000000 0.33999464165220 132.905 > 53 56 Cs 0.75000000000000 0.50000000000000 0.33999464165220 132.905 > 53 57 Cs 0.00000000000000 0.25000000000000 0.66000535834780 132.905 > 49 58 Cs 0.50000000000000 0.25000000000000 0.66000535834780 132.905 > 49 59 Cs 0.00000000000000 0.75000000000000 0.66000535834780 132.905 > 49 60 Cs 0.50000000000000 0.75000000000000 0.66000535834780 132.905 > 49 61 Cs 0.25000000000000 0.25000000000000 0.83999464165220 132.905 > 53 62 Cs 0.75000000000000 0.25000000000000 0.83999464165220 132.905 > 53 63 Cs 0.25000000000000 0.75000000000000 0.83999464165220 132.905 > 53 64 Cs 0.75000000000000 0.75000000000000 0.83999464165220 132.905 > 53 65 Cs 0.25000000000000 0.00000000000000 0.66000535834780 132.905 > 49 66 Cs 0.75000000000000 0.00000000000000 0.66000535834780 132.905 > 49 67 Cs 0.25000000000000 0.50000000000000 0.66000535834780 132.905 > 49 68 Cs 0.75000000000000 0.50000000000000 0.66000535834780 132.905 > 49 69 Cs 0.00000000000000 0.00000000000000 0.83999464165220 132.905 > 53 70 Cs 0.50000000000000 0.00000000000000 0.83999464165220 132.905 > 53 71 Cs 0.00000000000000 0.50000000000000 0.83999464165220 132.905 > 53 72 Cs 0.50000000000000 0.50000000000000 0.83999464165220 132.905 > 53 73 Cs 0.25000000000000 0.25000000000000 0.16000535834780 132.905 > 49 74 Cs 0.75000000000000 0.25000000000000 0.16000535834780 132.905 > 49 75 Cs 0.25000000000000 0.75000000000000 0.16000535834780 132.905 > 49 76 Cs 0.75000000000000 0.75000000000000 0.16000535834780 132.905 > 49 77 Cs 0.00000000000000 0.25000000000000 0.33999464165220 132.905 > 53 78 Cs 0.50000000000000 0.25000000000000 0.33999464165220 132.905 > 53 79 Cs 0.00000000000000 0.75000000000000 0.33999464165220 132.905 > 53 80 Cs 0.50000000000000 0.75000000000000 0.33999464165220 132.905 > 53 81 S 0.00000000000000 0.08407539984572 0.39098020626344 32.065 > 81 82 S 0.50000000000000 0.08407539984572 0.39098020626344 32.065 > 81 83 S 0.00000000000000 0.58407539984572 0.39098020626344 32.065 > 81 84 S 0.50000000000000 0.58407539984572 0.39098020626344 32.065 > 81 85 S 0.00000000000000 0.41592460015428 0.39098020626344 32.065 > 85 86 S 0.50000000000000 0.41592460015428 0.39098020626344 32.065 > 85 87 S 0.00000000000000 0.91592460015428 0.39098020626344 32.065 > 85 88 S 0.50000000000000 0.91592460015428 0.39098020626344 32.065 > 85 89 S 0.25000000000000 0.41592460015428 0.10901979373656 32.065 > 89 90 S 0.75000000000000 0.41592460015428 0.10901979373656 32.065 > 89 91 S 0.25000000000000 0.91592460015428 0.10901979373656 32.065 > 89 92 S 0.75000000000000 0.91592460015428 0.10901979373656 32.065 > 89 93 S 0.25000000000000 0.08407539984572 0.10901979373656 32.065 > 93 94 S 0.75000000000000 0.08407539984572 0.10901979373656 32.065 > 93 95 S 0.25000000000000 0.58407539984572 0.10901979373656 32.065 > 93 96 S 0.75000000000000 0.58407539984572 0.10901979373656 32.065 > 93 97 S 0.00000000000000 0.33407539984572 0.89098020626344 32.065 > 81 98 S 0.50000000000000 0.33407539984572 0.89098020626344 32.065 > 81 99 S 0.00000000000000 0.83407539984572 0.89098020626344 32.065 > 81 100 S 0.50000000000000 0.83407539984572 0.89098020626344 32.065 > 81 101 S 0.00000000000000 0.16592460015428 0.89098020626344 32.065 > 85 102 S 0.50000000000000 0.16592460015428 0.89098020626344 32.065 > 85 103 S 0.00000000000000 0.66592460015428 0.89098020626344 32.065 > 85 104 S 0.50000000000000 0.66592460015428 0.89098020626344 32.065 > 85 105 S 0.25000000000000 0.16592460015428 0.60901979373656 32.065 > 89 106 S 0.75000000000000 0.16592460015428 0.60901979373656 32.065 > 89 107 S 0.25000000000000 0.66592460015428 0.60901979373656 32.065 > 89 108 S 0.75000000000000 0.66592460015428 0.60901979373656 32.065 > 89 109 S 0.25000000000000 0.33407539984572 0.60901979373656 32.065 > 93 110 S 0.75000000000000 0.33407539984572 0.60901979373656 32.065 > 93 111 S 0.25000000000000 0.83407539984572 0.60901979373656 32.065 > 93 112 S 0.75000000000000 0.83407539984572 0.60901979373656 32.065 > 93 113 S 0.25000000000000 0.08407539984572 0.89098020626344 32.065 > 81 114 S 0.75000000000000 0.08407539984572 0.89098020626344 32.065 > 81 115 S 0.25000000000000 0.58407539984572 0.89098020626344 32.065 > 81 116 S 0.75000000000000 0.58407539984572 0.89098020626344 32.065 > 81 117 S 0.25000000000000 0.41592460015428 0.89098020626344 32.065 > 85 118 S 0.75000000000000 0.41592460015428 0.89098020626344 32.065 > 85 119 S 0.25000000000000 0.91592460015428 0.89098020626344 32.065 > 85 120 S 0.75000000000000 0.91592460015428 0.89098020626344 32.065 > 85 121 S 0.00000000000000 0.41592460015428 0.60901979373656 32.065 > 89 122 S 0.50000000000000 0.41592460015428 0.60901979373656 32.065 > 89 123 S 0.00000000000000 0.91592460015428 0.60901979373656 32.065 > 89 124 S 0.50000000000000 0.91592460015428 0.60901979373656 32.065 > 89 125 S 0.00000000000000 0.08407539984572 0.60901979373656 32.065 > 93 126 S 0.50000000000000 0.08407539984572 0.60901979373656 32.065 > 93 127 S 0.00000000000000 0.58407539984572 0.60901979373656 32.065 > 93 128 S 0.50000000000000 0.58407539984572 0.60901979373656 32.065 > 93 129 S 0.25000000000000 0.33407539984572 0.39098020626344 32.065 > 81 130 S 0.75000000000000 0.33407539984572 0.39098020626344 32.065 > 81 131 S 0.25000000000000 0.83407539984572 0.39098020626344 32.065 > 81 132 S 0.75000000000000 0.83407539984572 0.39098020626344 32.065 > 81 133 S 0.25000000000000 0.16592460015428 0.39098020626344 32.065 > 85 134 S 0.75000000000000 0.16592460015428 0.39098020626344 32.065 > 85 135 S 0.25000000000000 0.66592460015428 0.39098020626344 32.065 > 85 136 S 0.75000000000000 0.66592460015428 0.39098020626344 32.065 > 85 137 S 0.00000000000000 0.16592460015428 0.10901979373656 32.065 > 89 138 S 0.50000000000000 0.16592460015428 0.10901979373656 32.065 > 89 139 S 0.00000000000000 0.66592460015428 0.10901979373656 32.065 > 89 140 S 0.50000000000000 0.66592460015428 0.10901979373656 32.065 > 89 141 S 0.00000000000000 0.33407539984572 0.10901979373656 32.065 > 93 142 S 0.50000000000000 0.33407539984572 0.10901979373656 32.065 > 93 143 S 0.00000000000000 0.83407539984572 0.10901979373656 32.065 > 93 144 S 0.50000000000000 0.83407539984572 0.10901979373656 32.065 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.4611546 0.0000000 0.0000000 0.0000000 7.5578663 0.0000000 0.0000000 0.0000000 4.7290997 -------------------------- Born effective charges -------------------------- 1 Pd -0.4589109 0.0000000 0.0000000 0.0000000 1.0228211 0.0000000 0.0000000 0.0000000 0.3772015 2 Pd 0.7250107 -0.7077222 0.0000000 -0.7475285 -0.0797747 0.0000000 0.0000000 0.0000000 0.3553844 3 Pd 0.7250107 0.7077222 0.0000000 0.7475285 -0.0797747 0.0000000 0.0000000 0.0000000 0.3553844 4 Cs 1.4488895 0.0000000 0.0000000 0.0000000 1.6425657 0.0000000 0.0000000 0.0000000 1.4298321 5 Cs 1.4488895 0.0000000 0.0000000 0.0000000 1.6425657 0.0000000 0.0000000 0.0000000 1.4298321 6 S -0.9722224 0.0000000 0.0000000 0.0000000 -1.0371008 -0.1252216 0.0000000 -0.0358428 -0.9869086 7 S -0.9722224 0.0000000 0.0000000 0.0000000 -1.0371008 0.1252216 0.0000000 0.0358428 -0.9869086 8 S -0.9722224 0.0000000 0.0000000 0.0000000 -1.0371008 -0.1252216 0.0000000 -0.0358428 -0.9869086 9 S -0.9722224 0.0000000 0.0000000 0.0000000 -1.0371008 0.1252216 0.0000000 0.0358428 -0.9869086 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xzx) -0.00000002 (xzx) -0.00000002 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.68, Number of G-points: 299, Lambda: 0.18 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: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-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 1.457 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.748 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 7.411 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 8.073 ( 0.000 0.000 0.000) 0.000 8.413 ( 0.000 0.000 0.000) 0.000 8.482 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.771 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.170 ( 0.000 0.000 0.000) 0.000 9.739 ( 0.000 0.000 0.000) 0.000 10.814 ( 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: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( -9.052 5.312 7.908) 13.141 0.314 ( -12.983 8.912 3.077) 16.045 0.624 ( -26.268 17.037 3.687) 31.526 1.460 ( -0.444 -0.991 0.878) 1.396 1.668 ( 9.276 -0.081 4.540) 10.328 1.805 ( -0.715 -3.854 -7.792) 8.722 1.930 ( -2.934 -0.487 1.617) 3.385 1.966 ( -4.949 -6.952 3.387) 9.181 2.227 ( 5.533 10.951 -1.939) 12.422 2.765 ( -1.758 0.651 0.008) 1.875 3.611 ( 6.064 -6.734 0.147) 9.063 3.683 ( 5.431 0.580 -0.043) 5.462 4.253 ( 4.871 -3.423 0.035) 5.953 4.286 ( 2.580 -0.579 -0.001) 2.645 5.557 ( 7.794 -3.678 0.099) 8.619 7.408 ( -3.310 0.525 -0.006) 3.351 7.433 ( -1.854 2.074 0.005) 2.782 7.996 ( 0.339 0.111 -0.075) 0.364 8.075 ( -0.230 -0.289 0.190) 0.415 8.468 ( -5.253 0.532 0.041) 5.280 8.528 ( -3.741 4.464 -0.088) 5.825 8.726 ( -1.863 1.132 -0.048) 2.180 8.800 ( 0.138 -0.327 4.362) 4.376 9.154 ( 0.440 1.029 0.106) 1.124 9.331 ( -0.768 0.098 -2.416) 2.537 9.759 ( -1.576 1.206 0.423) 2.029 10.790 ( 2.092 -1.215 -0.344) 2.444 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -13.045 7.228 4.555) 15.593 0.628 ( -12.858 9.079 2.987) 16.021 1.182 ( -20.748 13.252 1.719) 24.679 1.461 ( 0.179 -1.605 3.370) 3.737 1.567 ( 5.656 1.218 1.325) 5.935 1.727 ( 1.050 -0.836 -4.636) 4.827 1.951 ( -0.898 -3.170 -1.021) 3.450 1.998 ( -1.199 -1.277 2.565) 3.106 2.244 ( -1.433 5.379 -3.276) 6.459 2.822 ( -3.957 1.901 0.025) 4.390 3.354 ( 14.746 -10.509 -0.018) 18.107 3.599 ( 5.475 -0.349 0.136) 5.488 4.095 ( 9.331 -5.403 0.045) 10.782 4.205 ( 5.958 -2.889 0.072) 6.622 5.354 ( 11.299 -5.290 0.185) 12.477 7.464 ( -2.898 1.260 -0.177) 3.165 7.521 ( -5.493 3.056 -0.037) 6.286 7.987 ( 0.902 0.125 -0.047) 0.912 8.076 ( -0.277 -0.639 0.299) 0.758 8.559 ( -5.110 1.172 -0.040) 5.243 8.686 ( -8.473 6.327 0.015) 10.575 8.778 ( -2.790 1.512 -0.007) 3.174 8.836 ( -1.363 0.472 2.590) 2.964 9.157 ( 0.142 0.444 0.161) 0.493 9.323 ( 0.087 -0.138 -1.423) 1.432 9.820 ( -3.300 2.398 0.828) 4.162 10.720 ( 3.982 -2.262 -0.860) 4.660 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -16.737 8.718 0.804) 18.889 0.936 ( -12.351 8.902 2.798) 15.480 1.369 ( 0.719 -0.334 0.198) 0.817 1.506 ( 0.956 0.571 -0.959) 1.469 1.587 ( -0.764 4.155 2.896) 5.122 1.756 ( -7.700 2.507 -0.895) 8.148 1.890 ( 2.921 -3.562 -1.535) 4.856 2.004 ( 0.756 -1.271 1.378) 2.022 2.388 ( -12.888 8.568 -2.362) 15.656 2.932 ( -6.554 3.731 0.019) 7.542 2.968 ( 19.363 -12.195 -0.011) 22.883 3.507 ( 5.097 -1.025 0.149) 5.201 3.865 ( 12.155 -6.125 0.041) 13.611 4.023 ( 11.774 -6.785 0.136) 13.590 5.138 ( 9.233 -4.235 0.217) 10.161 7.523 ( -2.764 1.601 -0.241) 3.203 7.646 ( -6.225 3.115 -0.313) 6.968 7.967 ( 1.780 -0.042 0.154) 1.787 8.074 ( -0.108 -0.997 0.277) 1.040 8.651 ( -4.477 1.721 -0.075) 4.797 8.834 ( -2.532 1.218 0.031) 2.810 8.880 ( -4.437 2.697 1.083) 5.304 8.891 ( -5.925 3.374 0.982) 6.889 9.159 ( 0.148 0.055 0.133) 0.206 9.303 ( 1.001 -0.444 -1.216) 1.637 9.921 ( -4.977 3.370 1.144) 6.118 10.611 ( 5.381 -2.989 -1.383) 6.309 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -14.352 7.001 -2.413) 16.150 1.219 ( -10.418 7.356 2.145) 12.933 1.358 ( 0.691 0.321 2.487) 2.601 1.485 ( 0.119 0.814 -1.749) 1.933 1.628 ( -0.812 2.305 1.701) 2.977 1.745 ( 5.242 -5.140 -1.548) 7.503 1.884 ( -2.771 0.998 -0.422) 2.976 1.987 ( 0.356 -0.226 0.534) 0.680 2.534 ( 19.260 -11.524 -0.109) 22.445 2.773 ( -22.035 11.416 -0.578) 24.823 3.100 ( -8.628 5.826 0.015) 10.410 3.431 ( 3.112 -0.824 0.089) 3.220 3.605 ( 14.040 -4.024 0.037) 14.605 3.702 ( 16.607 -12.418 0.175) 20.737 5.000 ( 4.410 -1.960 0.147) 4.828 7.572 ( -1.797 1.098 -0.180) 2.114 7.765 ( -5.470 2.584 -0.564) 6.076 7.929 ( 2.887 -0.552 0.453) 2.974 8.066 ( 0.053 -0.909 0.141) 0.922 8.724 ( -2.689 1.221 -0.056) 2.954 8.874 ( -1.413 0.524 0.114) 1.511 8.925 ( -1.217 0.624 0.868) 1.620 9.054 ( -6.379 3.562 0.628) 7.333 9.156 ( 0.113 -0.215 0.040) 0.247 9.263 ( 2.192 -0.905 -1.083) 2.607 10.050 ( -5.432 3.421 1.198) 6.530 10.481 ( 5.493 -3.035 -1.459) 6.442 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 0.000 -0.000 0.000) 0.000 1.344 ( -0.000 0.000 -0.000) 0.000 1.419 ( -0.000 0.000 0.000) 0.000 1.529 ( 0.000 -0.000 -0.000) 0.000 1.562 ( -0.000 0.000 0.000) 0.000 1.720 ( -0.000 0.000 0.000) 0.000 1.904 ( -0.000 0.000 0.000) 0.000 2.013 ( -0.000 0.000 0.000) 0.000 2.249 ( -0.000 0.000 0.000) 0.000 3.187 ( -0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 -0.000 0.000) 0.000 3.401 ( -0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 4.957 ( -0.000 0.000 0.000) 0.000 7.592 ( -0.000 0.000 0.000) 0.000 7.844 ( -0.000 0.000 0.000) 0.000 7.881 ( -0.000 0.000 0.000) 0.000 8.061 ( -0.000 0.000 0.000) 0.000 8.752 ( -0.000 0.000 0.000) 0.000 8.889 ( -0.000 0.000 0.000) 0.000 8.942 ( -0.000 -0.000 0.000) 0.000 9.148 ( 0.000 -0.000 -0.000) 0.000 9.151 ( -0.000 0.000 0.000) 0.000 9.216 ( -0.000 0.000 0.000) 0.000 10.132 ( -0.000 0.000 0.000) 0.000 10.399 ( -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: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.158 ( -0.000 -0.000 10.538) 10.538 0.180 ( -0.000 -0.000 12.271) 12.271 0.321 ( -0.000 -0.000 21.824) 21.824 1.464 ( -0.000 -0.000 0.953) 0.953 1.693 ( 0.000 0.000 -6.941) 6.941 1.897 ( -0.000 -0.000 4.951) 4.951 1.901 ( 0.000 0.000 -1.358) 1.358 2.049 ( 0.000 0.000 -1.306) 1.306 2.200 ( 0.000 0.000 -2.317) 2.317 2.748 ( -0.000 -0.000 0.043) 0.043 3.682 ( -0.000 -0.000 0.440) 0.440 3.739 ( 0.000 0.000 -0.372) 0.372 4.303 ( -0.000 -0.000 0.130) 0.130 4.313 ( -0.000 -0.000 0.032) 0.032 5.642 ( -0.000 -0.000 0.189) 0.189 7.374 ( 0.000 0.000 -0.072) 0.072 7.410 ( 0.000 0.000 -0.142) 0.142 7.997 ( 0.000 0.000 -0.173) 0.173 8.076 ( -0.000 -0.000 0.375) 0.375 8.414 ( -0.000 -0.000 0.136) 0.136 8.481 ( 0.000 0.000 -0.214) 0.214 8.704 ( 0.000 0.000 -0.120) 0.120 9.023 ( 0.000 0.000 -0.036) 0.036 9.147 ( -0.000 -0.000 0.233) 0.233 9.172 ( -0.000 -0.000 0.203) 0.203 9.745 ( -0.000 -0.000 0.798) 0.798 10.812 ( 0.000 0.000 -0.184) 0.184 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( -8.875 6.104 8.171) 13.520 0.396 ( -6.394 5.432 10.478) 13.423 0.724 ( -21.597 12.525 9.684) 26.779 1.479 ( -0.296 0.247 1.588) 1.634 1.678 ( -2.228 -1.116 -8.824) 9.169 1.751 ( 11.256 -2.625 5.359) 12.740 1.930 ( -2.397 -1.285 -0.590) 2.783 2.014 ( -1.380 -2.860 1.674) 3.590 2.183 ( 2.477 5.080 -3.790) 6.805 2.765 ( -1.736 0.716 0.038) 1.878 3.614 ( 6.598 -6.821 0.259) 9.494 3.681 ( 4.883 0.534 -0.097) 4.913 4.254 ( 4.935 -3.368 0.089) 5.975 4.286 ( 2.481 -0.662 0.086) 2.569 5.560 ( 7.759 -3.732 0.258) 8.613 7.407 ( -3.231 0.420 -0.124) 3.260 7.432 ( -1.939 2.219 -0.131) 2.950 7.994 ( 0.291 0.123 -0.197) 0.373 8.080 ( -0.198 -0.301 0.501) 0.618 8.469 ( -5.171 0.433 0.125) 5.190 8.525 ( -3.857 4.538 -0.223) 5.960 8.725 ( -1.876 1.176 -0.130) 2.218 8.882 ( 3.590 -2.395 5.640) 7.102 9.156 ( 0.386 0.931 0.243) 1.037 9.283 ( -3.292 1.307 -3.524) 4.997 9.771 ( -1.634 1.133 1.119) 2.282 10.783 ( 2.366 -1.391 -0.577) 2.805 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -8.733 4.312 7.549) 12.322 0.686 ( -11.642 8.574 4.842) 15.247 1.216 ( -16.858 9.429 2.622) 19.493 1.516 ( -2.480 2.324 3.480) 4.864 1.567 ( 5.304 -2.160 -2.511) 6.254 1.679 ( 1.569 1.247 -0.156) 2.010 1.930 ( -0.542 -3.076 -1.763) 3.586 2.030 ( -0.722 -0.840 1.487) 1.854 2.183 ( -2.346 4.588 -4.817) 7.054 2.822 ( -3.929 1.929 0.040) 4.377 3.354 ( 14.796 -10.463 -0.060) 18.122 3.602 ( 5.217 -0.755 0.210) 5.276 4.096 ( 9.370 -5.369 0.071) 10.799 4.207 ( 5.893 -2.963 0.145) 6.598 5.357 ( 11.243 -5.406 0.299) 12.479 7.461 ( -2.887 1.223 -0.285) 3.148 7.520 ( -5.358 3.034 -0.179) 6.160 7.986 ( 0.781 0.192 -0.079) 0.808 8.082 ( -0.209 -0.696 0.499) 0.881 8.558 ( -5.015 1.236 -0.076) 5.166 8.687 ( -8.657 6.264 0.057) 10.686 8.777 ( -2.857 1.638 -0.065) 3.294 8.883 ( -0.091 -0.278 3.627) 3.639 9.160 ( 0.103 0.286 0.219) 0.375 9.296 ( -0.636 0.212 -2.221) 2.320 9.836 ( -3.426 2.214 1.349) 4.296 10.704 ( 4.257 -2.433 -1.221) 5.053 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -13.859 6.114 1.742) 15.248 0.986 ( -11.643 8.378 3.919) 14.869 1.372 ( -1.120 0.534 0.111) 1.246 1.481 ( 1.683 -0.635 -2.488) 3.070 1.625 ( 1.367 3.988 2.235) 4.772 1.759 ( -7.746 2.395 1.398) 8.227 1.863 ( 2.567 -3.578 -2.133) 4.893 2.019 ( 1.372 -1.476 0.602) 2.103 2.352 ( -15.020 9.628 -2.434) 18.006 2.932 ( -6.525 3.756 0.026) 7.529 2.967 ( 19.241 -12.365 -0.058) 22.871 3.509 ( 4.908 -1.456 0.169) 5.122 3.866 ( 12.174 -6.123 0.050) 13.627 4.025 ( 11.719 -6.840 0.183) 13.571 5.141 ( 9.198 -4.410 0.270) 10.204 7.519 ( -2.819 1.582 -0.299) 3.247 7.640 ( -6.061 3.055 -0.434) 6.801 7.969 ( 1.612 0.114 0.187) 1.627 8.079 ( -0.002 -1.106 0.358) 1.162 8.649 ( -4.465 1.775 -0.093) 4.805 8.834 ( -2.578 1.470 0.007) 2.967 8.890 ( -8.400 5.015 0.457) 9.794 8.916 ( -1.284 0.407 2.229) 2.604 9.161 ( 0.103 -0.158 0.128) 0.228 9.281 ( 0.655 -0.251 -1.726) 1.863 9.940 ( -5.109 3.091 1.419) 6.138 10.588 ( 5.488 -3.049 -1.639) 6.488 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -12.935 5.526 -2.056) 14.215 1.257 ( -9.399 6.136 3.101) 11.645 1.396 ( -0.639 1.571 2.536) 3.051 1.457 ( -1.157 0.925 -2.175) 2.631 1.644 ( 0.415 0.119 0.648) 0.779 1.721 ( 4.391 -3.504 -1.756) 5.886 1.885 ( -2.839 1.240 0.546) 3.146 1.990 ( 0.648 -0.315 -0.217) 0.753 2.532 ( 19.239 -11.881 -0.139) 22.612 2.765 ( -22.629 11.563 -0.424) 25.415 3.101 ( -8.589 5.897 0.019) 10.418 3.432 ( 2.945 -1.235 0.072) 3.194 3.605 ( 13.962 -4.145 0.036) 14.564 3.704 ( 16.662 -12.365 0.189) 20.750 5.002 ( 4.415 -2.167 0.149) 4.920 7.570 ( -1.920 1.130 -0.186) 2.235 7.756 ( -5.420 2.531 -0.582) 6.010 7.936 ( 2.776 -0.398 0.452) 2.841 8.069 ( 0.167 -0.995 0.153) 1.020 8.723 ( -2.720 1.245 -0.041) 2.991 8.875 ( -1.322 0.677 0.051) 1.486 8.941 ( -0.478 0.086 1.213) 1.307 9.063 ( -6.555 3.639 0.519) 7.515 9.156 ( 0.092 -0.440 0.005) 0.449 9.245 ( 1.825 -0.762 -1.280) 2.356 10.067 ( -5.298 2.996 1.177) 6.199 10.460 ( 5.106 -2.816 -1.407) 5.999 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -2.697 1.278 -2.014) 3.600 1.376 ( 0.602 -0.549 2.708) 2.828 1.418 ( 3.914 -2.246 -0.010) 4.512 1.523 ( 2.562 -5.494 -0.746) 6.108 1.570 ( -6.837 6.532 1.070) 9.516 1.707 ( 1.528 -0.818 -1.585) 2.348 1.916 ( 0.699 -0.056 1.541) 1.693 2.005 ( 0.018 -0.273 -0.973) 1.011 2.249 ( -0.614 0.227 -0.051) 0.657 3.187 ( -1.807 0.198 0.006) 1.818 3.248 ( 1.227 0.061 0.018) 1.228 3.344 ( 0.430 -0.331 0.041) 0.544 3.401 ( -0.149 -0.389 0.008) 0.416 3.407 ( 0.041 0.005 -0.024) 0.048 4.957 ( 0.017 -0.203 0.001) 0.204 7.592 ( -0.147 0.052 -0.007) 0.156 7.842 ( -1.925 0.692 -0.211) 2.057 7.883 ( 1.853 -0.644 0.202) 1.972 8.061 ( 0.103 -0.020 0.010) 0.106 8.752 ( -0.040 0.006 0.021) 0.045 8.888 ( 0.167 0.094 -0.048) 0.198 8.944 ( 0.617 -0.452 0.259) 0.808 9.144 ( 1.733 -1.294 -0.479) 2.215 9.153 ( -0.435 0.685 0.092) 0.816 9.218 ( -1.814 0.606 0.134) 1.917 10.131 ( 1.144 -0.961 -0.169) 1.504 10.401 ( -1.484 0.838 0.188) 1.715 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 11.203 -8.238 -1.027) 13.944 1.221 ( 15.525 -8.457 1.701) 17.761 1.328 ( -1.390 0.489 -1.517) 2.115 1.511 ( -1.399 -0.974 1.777) 2.462 1.597 ( 1.361 -2.549 -2.418) 3.768 1.764 ( -5.664 5.687 0.963) 8.084 1.895 ( 3.088 -1.048 0.877) 3.376 1.976 ( -0.334 0.154 -0.865) 0.940 2.535 ( -19.363 11.272 0.057) 22.405 2.781 ( 21.498 -11.225 0.429) 24.256 3.100 ( 8.654 -5.779 -0.008) 10.406 3.429 ( -3.241 0.500 -0.063) 3.280 3.604 ( -14.105 3.924 -0.023) 14.641 3.700 ( -16.556 12.457 -0.101) 20.720 4.998 ( -4.406 1.791 -0.090) 4.758 7.575 ( 1.696 -1.070 0.109) 2.008 7.772 ( 5.513 -2.641 0.339) 6.122 7.924 ( -2.977 0.675 -0.281) 3.065 8.065 ( 0.042 0.847 -0.081) 0.852 8.724 ( 2.671 -1.211 0.044) 2.933 8.872 ( 1.534 -0.378 -0.158) 1.588 8.917 ( 1.786 -1.031 -0.323) 2.087 9.046 ( 6.198 -3.517 -0.456) 7.141 9.155 ( -0.151 0.011 -0.038) 0.157 9.275 ( -2.427 1.010 0.591) 2.695 10.035 ( 5.499 -3.742 -0.748) 6.693 10.499 ( -5.776 3.192 0.924) 6.663 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 18.361 -10.262 -0.157) 21.034 0.908 ( 12.755 -9.428 -1.012) 15.894 1.368 ( -2.618 1.561 -0.022) 3.049 1.514 ( 3.201 -4.088 0.382) 5.206 1.550 ( 0.738 -2.652 -1.693) 3.231 1.773 ( 5.893 -1.827 0.943) 6.241 1.905 ( -2.984 3.515 0.548) 4.643 1.986 ( -0.139 0.913 -0.845) 1.251 2.414 ( 11.579 -7.894 0.986) 14.048 2.932 ( 6.569 -3.727 -0.007) 7.553 2.968 ( -19.450 12.102 -0.006) 22.908 3.505 ( -5.208 0.770 -0.060) 5.265 3.865 ( -12.142 6.127 -0.016) 13.600 4.021 ( -11.811 6.752 -0.049) 13.605 5.135 ( -9.255 4.126 -0.083) 10.133 7.525 ( 2.730 -1.610 0.092) 3.170 7.649 ( 6.342 -3.166 0.109) 7.089 7.965 ( -1.883 0.138 -0.060) 1.889 8.071 ( 0.173 0.930 -0.103) 0.952 8.651 ( 4.487 -1.698 0.029) 4.797 8.832 ( 2.476 -0.899 -0.107) 2.637 8.867 ( 2.576 -1.416 -0.429) 2.970 8.883 ( 8.317 -5.236 -0.258) 9.831 9.157 ( -0.176 -0.198 -0.058) 0.271 9.315 ( -1.228 0.562 0.432) 1.418 9.909 ( 4.894 -3.542 -0.436) 6.057 10.626 ( -5.342 2.967 0.543) 6.135 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 15.083 -8.678 0.000) 17.401 0.605 ( 13.357 -9.402 0.000) 16.334 1.170 ( 22.627 -14.773 0.000) 27.023 1.434 ( -1.562 2.907 -0.000) 3.300 1.555 ( -4.439 -2.392 -0.000) 5.043 1.768 ( -2.489 2.008 -0.000) 3.198 1.960 ( 0.791 3.608 -0.000) 3.693 1.973 ( 2.370 0.656 0.000) 2.459 2.269 ( 0.930 -5.630 0.000) 5.707 2.821 ( 3.968 -1.889 0.000) 4.395 3.354 ( -14.727 10.522 -0.000) 18.099 3.598 ( -5.568 0.206 -0.000) 5.571 4.094 ( -9.315 5.416 -0.000) 10.775 4.205 ( -5.988 2.864 -0.000) 6.638 5.352 ( -11.319 5.245 -0.000) 12.476 7.466 ( 2.903 -1.273 0.000) 3.170 7.521 ( 5.567 -3.078 0.000) 6.361 7.987 ( -0.948 -0.099 -0.000) 0.953 8.074 ( 0.303 0.617 -0.000) 0.688 8.559 ( 5.141 -1.158 0.000) 5.270 8.686 ( 8.413 -6.341 0.000) 10.535 8.778 ( 2.752 -1.405 0.000) 3.089 8.816 ( 2.121 -0.966 0.000) 2.331 9.156 ( -0.158 -0.509 0.000) 0.533 9.334 ( -0.480 0.327 -0.000) 0.581 9.813 ( 3.250 -2.468 0.000) 4.081 10.727 ( -3.907 2.214 -0.000) 4.491 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( -0.000 -0.000 8.979) 8.979 0.352 ( -0.000 -0.000 11.509) 11.509 0.626 ( -0.000 -0.000 20.159) 20.159 1.484 ( -0.000 -0.000 1.782) 1.782 1.585 ( 0.000 0.000 -7.722) 7.722 1.875 ( 0.000 0.000 -2.116) 2.116 1.963 ( -0.000 -0.000 4.043) 4.043 2.023 ( 0.000 0.000 -2.338) 2.338 2.150 ( 0.000 0.000 -4.549) 4.549 2.749 ( -0.000 -0.000 0.069) 0.069 3.690 ( -0.000 -0.000 0.716) 0.716 3.731 ( 0.000 0.000 -0.602) 0.602 4.305 ( -0.000 -0.000 0.211) 0.211 4.314 ( -0.000 -0.000 0.049) 0.049 5.646 ( -0.000 -0.000 0.303) 0.303 7.372 ( 0.000 0.000 -0.115) 0.115 7.407 ( 0.000 0.000 -0.221) 0.221 7.993 ( 0.000 0.000 -0.276) 0.276 8.084 ( -0.000 -0.000 0.623) 0.623 8.417 ( -0.000 -0.000 0.216) 0.216 8.476 ( 0.000 0.000 -0.364) 0.364 8.702 ( 0.000 0.000 -0.151) 0.151 9.022 ( 0.000 0.000 -0.057) 0.057 9.152 ( -0.000 -0.000 0.311) 0.311 9.176 ( -0.000 -0.000 0.328) 0.328 9.761 ( -0.000 -0.000 1.311) 1.311 10.809 ( 0.000 0.000 -0.298) 0.298 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -7.656 8.027 6.715) 12.967 0.563 ( -5.874 3.803 11.350) 13.333 0.881 ( -14.279 6.063 11.095) 19.072 1.503 ( -0.020 0.572 1.087) 1.229 1.559 ( -1.995 0.456 -6.769) 7.072 1.803 ( 7.589 -2.438 1.712) 8.153 1.924 ( 0.759 -1.063 -0.130) 1.313 2.011 ( -0.188 1.554 -1.745) 2.344 2.127 ( -0.455 -0.318 -3.626) 3.669 2.766 ( -1.706 0.752 0.056) 1.866 3.617 ( 7.369 -6.696 0.126) 9.958 3.681 ( 3.971 0.173 0.020) 3.974 4.255 ( 5.032 -3.278 0.102) 6.007 4.288 ( 2.376 -0.803 0.155) 2.513 5.564 ( 7.706 -3.817 0.316) 8.605 7.404 ( -3.125 0.390 -0.195) 3.155 7.429 ( -2.025 2.272 -0.231) 3.053 7.991 ( 0.217 0.139 -0.240) 0.352 8.088 ( -0.157 -0.325 0.637) 0.733 8.471 ( -4.962 0.331 0.134) 4.974 8.522 ( -4.121 4.634 -0.265) 6.207 8.723 ( -1.891 1.206 -0.118) 2.246 8.949 ( 3.302 -2.177 3.594) 5.344 9.160 ( 0.290 0.789 0.229) 0.871 9.239 ( -3.415 1.223 -2.452) 4.378 9.790 ( -1.725 1.015 1.401) 2.443 10.774 ( 2.761 -1.639 -0.551) 3.258 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -4.534 1.638 8.613) 9.871 0.759 ( -10.162 8.423 4.982) 14.108 1.244 ( -13.246 5.478 0.608) 14.346 1.484 ( 0.254 -0.962 -5.204) 5.298 1.587 ( -1.702 4.658 4.217) 6.510 1.709 ( 3.203 0.061 2.999) 4.388 1.901 ( -0.084 -3.117 -2.243) 3.841 2.038 ( -1.707 0.971 -0.399) 2.004 2.116 ( -2.475 3.067 -4.186) 5.750 2.823 ( -3.897 1.960 0.040) 4.362 3.353 ( 14.847 -10.388 -0.095) 18.121 3.605 ( 4.893 -1.308 0.213) 5.070 4.097 ( 9.415 -5.327 0.068) 10.818 4.209 ( 5.826 -3.059 0.168) 6.583 5.362 ( 11.170 -5.550 0.297) 12.477 7.457 ( -2.875 1.172 -0.284) 3.118 7.516 ( -5.239 3.036 -0.270) 6.061 7.985 ( 0.631 0.268 -0.080) 0.690 8.090 ( -0.124 -0.766 0.517) 0.932 8.557 ( -4.890 1.355 -0.097) 5.076 8.688 ( -8.932 6.153 0.091) 10.847 8.777 ( -2.882 1.709 -0.063) 3.351 8.934 ( 0.601 -0.675 3.264) 3.387 9.163 ( 0.052 0.111 0.172) 0.212 9.263 ( -1.070 0.446 -2.274) 2.552 9.856 ( -3.575 1.985 1.358) 4.309 10.687 ( 4.664 -2.681 -1.084) 5.487 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -10.434 3.291 2.100) 11.140 1.044 ( -11.050 8.325 3.744) 14.333 1.371 ( -2.571 1.138 -0.189) 2.818 1.438 ( 0.225 -0.724 -3.176) 3.265 1.653 ( 2.415 3.835 1.712) 4.845 1.785 ( -3.764 0.113 1.594) 4.089 1.833 ( 0.769 -2.628 -1.550) 3.146 2.021 ( 1.743 -1.298 -0.261) 2.189 2.322 ( -17.125 10.609 -1.539) 20.203 2.933 ( -6.492 3.798 0.023) 7.521 2.966 ( 19.135 -12.549 -0.074) 22.883 3.511 ( 4.710 -1.911 0.127) 5.084 3.867 ( 12.192 -6.121 0.040) 13.642 4.028 ( 11.670 -6.897 0.158) 13.556 5.145 ( 9.161 -4.585 0.219) 10.247 7.515 ( -2.875 1.558 -0.243) 3.279 7.634 ( -5.917 3.015 -0.384) 6.652 7.972 ( 1.443 0.270 0.149) 1.476 8.084 ( 0.105 -1.217 0.302) 1.258 8.648 ( -4.456 1.845 -0.080) 4.824 8.834 ( -2.547 1.497 0.067) 2.956 8.895 ( -9.016 5.250 0.216) 10.435 8.948 ( -0.188 -0.245 2.088) 2.111 9.162 ( 0.066 -0.347 0.075) 0.362 9.256 ( 0.314 -0.041 -1.668) 1.698 9.959 ( -5.238 2.814 1.151) 6.057 10.567 ( 5.634 -3.132 -1.275) 6.571 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -11.755 4.282 -1.120) 12.560 1.306 ( -8.769 5.696 3.428) 11.005 1.418 ( -3.131 2.179 -1.958) 4.288 1.431 ( -1.024 1.279 0.830) 1.836 1.652 ( 2.772 -3.513 0.506) 4.504 1.696 ( 2.804 -0.806 -1.639) 3.346 1.897 ( -3.408 1.700 0.915) 3.917 1.983 ( 1.246 -0.418 -0.627) 1.456 2.530 ( 19.294 -12.195 -0.105) 22.825 2.761 ( -23.033 11.603 -0.182) 25.792 3.101 ( -8.552 5.964 0.014) 10.427 3.433 ( 2.806 -1.578 0.036) 3.219 3.606 ( 13.902 -4.240 0.022) 14.534 3.707 ( 16.699 -12.321 0.124) 20.753 5.004 ( 4.418 -2.335 0.093) 4.998 7.567 ( -2.018 1.151 -0.117) 2.326 7.749 ( -5.381 2.501 -0.368) 5.945 7.942 ( 2.687 -0.272 0.279) 2.715 8.070 ( 0.257 -1.071 0.100) 1.106 8.723 ( -2.752 1.273 -0.021) 3.032 8.876 ( -1.256 0.730 0.034) 1.453 8.957 ( 0.142 -0.333 0.926) 0.994 9.069 ( -6.663 3.703 0.272) 7.628 9.156 ( 0.118 -0.584 -0.026) 0.597 9.229 ( 1.416 -0.633 -0.920) 1.803 10.081 ( -5.136 2.623 0.711) 5.811 10.443 ( 4.751 -2.612 -0.839) 5.486 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -3.287 1.434 -0.759) 3.665 1.408 ( 0.630 -0.549 1.423) 1.651 1.418 ( 5.927 -3.213 -0.087) 6.742 1.512 ( -0.012 -5.357 -0.611) 5.392 1.587 ( -7.990 7.284 0.942) 10.853 1.684 ( 3.293 -1.626 -1.209) 3.867 1.941 ( 1.391 -0.254 1.470) 2.040 1.988 ( -0.294 -0.345 -1.174) 1.259 2.248 ( -0.994 0.367 -0.032) 1.060 3.187 ( -2.903 0.313 0.004) 2.919 3.248 ( 1.966 0.105 0.011) 1.968 3.345 ( 0.692 -0.535 0.025) 0.875 3.401 ( -0.240 -0.604 0.006) 0.650 3.407 ( 0.066 -0.016 -0.016) 0.070 4.957 ( 0.028 -0.328 0.001) 0.329 7.592 ( -0.238 0.084 -0.004) 0.252 7.839 ( -2.768 1.002 -0.116) 2.946 7.886 ( 2.650 -0.925 0.110) 2.809 8.062 ( 0.167 -0.032 0.006) 0.170 8.752 ( -0.066 0.011 0.013) 0.069 8.888 ( 0.279 0.120 -0.027) 0.305 8.948 ( 1.010 -0.700 0.162) 1.239 9.138 ( 2.193 -1.373 -0.257) 2.600 9.153 ( -0.309 0.435 0.021) 0.534 9.219 ( -2.737 0.932 0.074) 2.892 10.128 ( 1.814 -1.530 -0.103) 2.376 10.403 ( -2.365 1.331 0.114) 2.716 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 11.584 -8.822 0.000) 14.561 1.234 ( 15.764 -8.698 0.000) 18.004 1.317 ( -1.441 0.660 -0.000) 1.585 1.530 ( -2.903 -1.442 -0.000) 3.241 1.572 ( 2.480 -2.010 0.000) 3.192 1.771 ( -5.828 5.768 -0.000) 8.200 1.903 ( 3.430 -1.172 0.000) 3.624 1.968 ( -0.504 0.180 -0.000) 0.535 2.535 ( -19.425 11.185 -0.000) 22.415 2.784 ( 21.282 -11.137 0.000) 24.020 3.100 ( 8.662 -5.763 0.000) 10.404 3.429 ( -3.290 0.378 -0.000) 3.311 3.604 ( -14.131 3.886 -0.000) 14.655 3.699 ( -16.536 12.471 -0.000) 20.711 4.998 ( -4.405 1.727 -0.000) 4.732 7.575 ( 1.657 -1.058 0.000) 1.966 7.774 ( 5.530 -2.666 0.000) 6.139 7.922 ( -3.011 0.722 -0.000) 3.096 8.064 ( 0.079 0.825 -0.000) 0.829 8.725 ( 2.666 -1.209 0.000) 2.927 8.871 ( 1.608 -0.346 0.000) 1.644 8.915 ( 1.985 -1.148 0.000) 2.293 9.043 ( 6.117 -3.508 0.000) 7.052 9.155 ( -0.169 -0.072 -0.000) 0.183 9.280 ( -2.507 1.048 -0.000) 2.717 10.029 ( 5.517 -3.861 0.000) 6.733 10.506 ( -5.879 3.248 -0.000) 6.717 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -0.000 -0.000 6.523) 6.523 0.508 ( -0.000 -0.000 9.821) 9.821 0.896 ( -0.000 -0.000 16.849) 16.849 1.475 ( 0.000 0.000 -7.329) 7.329 1.514 ( -0.000 -0.000 2.200) 2.200 1.845 ( 0.000 0.000 -1.806) 1.806 1.985 ( 0.000 0.000 -2.732) 2.732 2.012 ( -0.000 -0.000 2.767) 2.767 2.071 ( 0.000 0.000 -6.247) 6.247 2.750 ( -0.000 -0.000 0.069) 0.069 3.701 ( -0.000 -0.000 0.721) 0.721 3.722 ( 0.000 0.000 -0.604) 0.604 4.308 ( -0.000 -0.000 0.211) 0.211 4.315 ( -0.000 -0.000 0.047) 0.047 5.650 ( -0.000 -0.000 0.300) 0.300 7.370 ( 0.000 0.000 -0.114) 0.114 7.404 ( 0.000 0.000 -0.211) 0.211 7.989 ( 0.000 0.000 -0.271) 0.271 8.093 ( -0.000 -0.000 0.647) 0.647 8.420 ( -0.000 -0.000 0.211) 0.211 8.471 ( 0.000 0.000 -0.387) 0.387 8.700 ( 0.000 0.000 -0.104) 0.104 9.021 ( 0.000 0.000 -0.056) 0.056 9.156 ( -0.000 -0.000 0.238) 0.238 9.181 ( -0.000 -0.000 0.327) 0.327 9.781 ( -0.000 -0.000 1.330) 1.330 10.804 ( 0.000 0.000 -0.298) 0.298 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -6.412 8.718 4.688) 11.793 0.719 ( -8.863 4.367 9.915) 13.997 1.016 ( -5.384 0.463 6.554) 8.494 1.451 ( -2.317 -1.587 -4.650) 5.432 1.551 ( -0.683 3.958 2.369) 4.663 1.809 ( 3.508 -1.344 -0.399) 3.777 1.918 ( 3.649 -1.529 -1.052) 4.094 1.975 ( 0.012 2.363 -2.713) 3.598 2.084 ( -1.822 -1.283 -2.211) 3.139 2.767 ( -1.684 0.765 0.048) 1.850 3.618 ( 8.003 -6.258 -0.048) 10.160 3.682 ( 3.182 -0.526 0.155) 3.229 4.256 ( 5.121 -3.185 0.077) 6.031 4.290 ( 2.278 -0.932 0.140) 2.465 5.568 ( 7.656 -3.901 0.253) 8.596 7.402 ( -3.014 0.392 -0.166) 3.044 7.426 ( -2.049 2.239 -0.202) 3.042 7.987 ( 0.143 0.152 -0.191) 0.283 8.097 ( -0.116 -0.352 0.533) 0.649 8.473 ( -4.673 0.271 0.074) 4.681 8.518 ( -4.476 4.700 -0.197) 6.493 8.722 ( -1.902 1.224 -0.063) 2.263 8.988 ( 1.941 -1.360 1.964) 3.078 9.163 ( 0.133 0.624 0.107) 0.647 9.212 ( -2.344 0.673 -1.372) 2.798 9.809 ( -1.811 0.895 1.145) 2.322 10.767 ( 3.057 -1.823 -0.405) 3.582 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -9.611 8.530 3.200) 13.243 0.848 ( 0.055 -0.736 7.262) 7.299 1.222 ( -12.025 5.020 -3.336) 13.451 1.431 ( -0.642 -2.817 -1.884) 3.449 1.642 ( -0.483 6.688 2.982) 7.339 1.751 ( 0.778 -0.460 2.623) 2.774 1.869 ( 0.174 -3.259 -2.029) 3.843 2.021 ( -4.337 4.060 -1.652) 6.166 2.071 ( -0.722 0.701 -1.877) 2.129 2.823 ( -3.872 1.984 0.025) 4.351 3.351 ( 14.877 -10.316 -0.075) 18.103 3.608 ( 4.640 -1.790 0.138) 4.976 4.097 ( 9.450 -5.295 0.041) 10.833 4.212 ( 5.776 -3.136 0.112) 6.573 5.365 ( 11.110 -5.666 0.182) 12.473 7.453 ( -2.867 1.128 -0.174) 3.085 7.513 ( -5.151 3.043 -0.197) 5.986 7.984 ( 0.511 0.325 -0.049) 0.608 8.096 ( -0.053 -0.823 0.329) 0.888 8.555 ( -4.793 1.474 -0.073) 5.015 8.689 ( -9.193 6.049 0.074) 11.005 8.776 ( -2.858 1.737 -0.035) 3.345 8.974 ( 0.729 -0.780 2.014) 2.280 9.165 ( 0.002 -0.020 0.084) 0.087 9.234 ( -1.123 0.532 -1.542) 1.981 9.873 ( -3.693 1.800 0.842) 4.193 10.675 ( 5.003 -2.887 -0.623) 5.810 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -7.854 1.290 1.010) 8.023 1.085 ( -10.885 8.762 1.655) 14.071 1.369 ( -4.171 2.381 -0.018) 4.803 1.400 ( -0.285 -1.638 -1.691) 2.372 1.672 ( 2.767 4.089 0.808) 5.003 1.790 ( 2.311 -4.938 -0.496) 5.474 1.829 ( -3.601 0.993 0.431) 3.760 2.016 ( 1.884 -1.007 -0.273) 2.153 2.308 ( -18.392 11.172 -0.486) 21.525 2.933 ( -6.469 3.829 0.009) 7.518 2.966 ( 19.075 -12.668 -0.034) 22.898 3.513 ( 4.585 -2.203 0.047) 5.087 3.867 ( 12.202 -6.120 0.015) 13.651 4.029 ( 11.641 -6.932 0.063) 13.548 5.147 ( 9.138 -4.692 0.084) 10.272 7.512 ( -2.910 1.541 -0.093) 3.294 7.630 ( -5.835 2.999 -0.154) 6.563 7.973 ( 1.338 0.366 0.057) 1.389 8.087 ( 0.173 -1.287 0.118) 1.304 8.647 ( -4.454 1.895 -0.032) 4.840 8.835 ( -2.501 1.443 0.044) 2.888 8.897 ( -9.237 5.336 0.059) 10.667 8.971 ( 0.268 -0.536 0.887) 1.071 9.163 ( 0.054 -0.450 0.021) 0.453 9.237 ( 0.083 0.109 -0.736) 0.749 9.971 ( -5.317 2.644 0.440) 5.954 10.554 ( 5.740 -3.192 -0.476) 6.585 ======================= Grid point 38 (27/171) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -11.298 3.806 -0.000) 11.921 1.342 ( -10.033 7.383 -0.000) 12.457 1.389 ( -1.451 -0.663 -0.000) 1.595 1.441 ( -2.242 2.706 -0.000) 3.514 1.658 ( 5.506 -7.739 0.000) 9.497 1.680 ( 0.516 2.974 -0.000) 3.018 1.905 ( -3.981 2.006 -0.000) 4.457 1.977 ( 1.792 -0.544 0.000) 1.872 2.529 ( 19.329 -12.320 0.000) 22.921 2.760 ( -23.167 11.599 -0.000) 25.908 3.101 ( -8.537 5.993 -0.000) 10.430 3.433 ( 2.752 -1.712 0.000) 3.241 3.606 ( 13.880 -4.276 0.000) 14.524 3.708 ( 16.711 -12.304 0.000) 20.752 5.005 ( 4.420 -2.399 0.000) 5.029 7.566 ( -2.056 1.159 -0.000) 2.360 7.747 ( -5.367 2.492 -0.000) 5.918 7.944 ( 2.653 -0.224 0.000) 2.663 8.071 ( 0.291 -1.101 0.000) 1.139 8.722 ( -2.766 1.286 -0.000) 3.050 8.876 ( -1.231 0.734 -0.000) 1.433 8.965 ( 0.392 -0.493 0.000) 0.630 9.071 ( -6.693 3.725 -0.000) 7.660 9.156 ( 0.148 -0.624 0.000) 0.641 9.222 ( 1.214 -0.581 0.000) 1.346 10.087 ( -5.059 2.472 -0.000) 5.630 10.437 ( 4.602 -2.527 0.000) 5.250 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -0.000 -0.000 3.421) 3.421 0.628 ( -0.000 -0.000 6.259) 6.259 1.099 ( -0.000 -0.000 10.565) 10.565 1.382 ( 0.000 0.000 -5.021) 5.021 1.543 ( -0.000 -0.000 1.684) 1.684 1.829 ( 0.000 0.000 -0.272) 0.272 1.949 ( 0.000 0.000 -1.997) 1.997 1.978 ( 0.000 0.000 -5.993) 5.993 2.042 ( -0.000 -0.000 1.399) 1.399 2.751 ( -0.000 -0.000 0.042) 0.042 3.710 ( -0.000 -0.000 0.448) 0.448 3.715 ( 0.000 0.000 -0.374) 0.374 4.311 ( -0.000 -0.000 0.130) 0.130 4.315 ( -0.000 -0.000 0.028) 0.028 5.654 ( -0.000 -0.000 0.184) 0.184 7.369 ( 0.000 0.000 -0.070) 0.070 7.402 ( 0.000 0.000 -0.126) 0.126 7.986 ( 0.000 0.000 -0.165) 0.165 8.101 ( -0.000 -0.000 0.413) 0.413 8.423 ( -0.000 -0.000 0.128) 0.128 8.466 ( 0.000 0.000 -0.252) 0.252 8.699 ( 0.000 0.000 -0.043) 0.043 9.021 ( 0.000 0.000 -0.034) 0.034 9.158 ( -0.000 -0.000 0.115) 0.115 9.185 ( -0.000 -0.000 0.202) 0.202 9.797 ( -0.000 -0.000 0.830) 0.830 10.801 ( 0.000 0.000 -0.184) 0.184 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -5.963 9.229 1.663) 11.113 0.836 ( -14.537 5.621 5.335) 16.474 1.056 ( 5.719 -3.018 -0.190) 6.469 1.416 ( -5.011 -3.084 -0.522) 5.907 1.581 ( -0.803 5.569 1.389) 5.795 1.803 ( 2.638 -0.627 -0.250) 2.723 1.895 ( 2.502 -1.757 -1.452) 3.385 1.945 ( -0.173 1.712 -1.212) 2.105 2.065 ( -1.014 -0.615 -0.507) 1.289 2.767 ( -1.673 0.768 0.018) 1.841 3.617 ( 8.275 -5.887 -0.050) 10.155 3.684 ( 2.815 -1.065 0.090) 3.011 4.257 ( 5.170 -3.127 0.028) 6.043 4.292 ( 2.219 -1.008 0.055) 2.438 5.571 ( 7.625 -3.953 0.096) 8.590 7.400 ( -2.943 0.399 -0.064) 2.971 7.424 ( -2.047 2.197 -0.078) 3.003 7.985 ( 0.098 0.160 -0.072) 0.201 8.103 ( -0.090 -0.369 0.208) 0.433 8.474 ( -4.449 0.265 0.017) 4.457 8.516 ( -4.746 4.712 -0.069) 6.688 8.721 ( -1.907 1.231 -0.017) 2.270 9.007 ( 0.942 -0.787 0.639) 1.384 9.163 ( -0.040 0.445 0.009) 0.447 9.199 ( -1.360 0.321 -0.432) 1.462 9.820 ( -1.863 0.820 0.439) 2.082 10.763 ( 3.211 -1.920 -0.150) 3.744 ======================= Grid point 48 (30/171) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -9.557 9.182 -0.000) 13.253 0.911 ( 3.569 -3.237 0.000) 4.818 1.186 ( -13.499 6.654 -0.000) 15.049 1.420 ( -0.817 -4.014 0.000) 4.096 1.665 ( 0.857 6.799 -0.000) 6.853 1.774 ( -1.165 -0.301 -0.000) 1.203 1.851 ( 0.346 -3.356 0.000) 3.374 2.005 ( -5.503 5.182 -0.000) 7.559 2.058 ( 0.147 0.014 0.000) 0.148 2.823 ( -3.863 1.992 -0.000) 4.346 3.351 ( 14.885 -10.285 0.000) 18.093 3.609 ( 4.547 -1.981 0.000) 4.960 4.098 ( 9.463 -5.283 0.000) 10.838 4.212 ( 5.757 -3.165 0.000) 6.570 5.367 ( 11.087 -5.710 0.000) 12.471 7.452 ( -2.864 1.110 -0.000) 3.071 7.511 ( -5.117 3.044 -0.000) 5.954 7.984 ( 0.466 0.347 -0.000) 0.580 8.099 ( -0.026 -0.845 0.000) 0.845 8.555 ( -4.757 1.524 -0.000) 4.995 8.689 ( -9.303 6.008 -0.000) 11.074 8.776 ( -2.838 1.742 -0.000) 3.330 8.989 ( 0.696 -0.789 0.000) 1.052 9.166 ( -0.025 -0.070 0.000) 0.074 9.222 ( -1.071 0.549 -0.000) 1.203 9.879 ( -3.737 1.729 -0.000) 4.117 10.670 ( 5.131 -2.965 0.000) 5.927 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -0.000 -0.000 0.000) 0.000 0.676 ( -0.000 -0.000 0.000) 0.000 1.180 ( -0.000 -0.000 0.000) 0.000 1.343 ( -0.000 -0.000 0.000) 0.000 1.557 ( -0.000 -0.000 0.000) 0.000 1.832 ( -0.000 -0.000 0.000) 0.000 1.925 ( -0.000 -0.000 0.000) 0.000 1.934 ( -0.000 -0.000 0.000) 0.000 2.052 ( -0.000 -0.000 0.000) 0.000 2.751 ( -0.000 -0.000 0.000) 0.000 3.712 ( -0.000 -0.000 0.000) 0.000 3.713 ( -0.000 -0.000 0.000) 0.000 4.312 ( -0.000 -0.000 0.000) 0.000 4.315 ( -0.000 -0.000 0.000) 0.000 5.655 ( -0.000 -0.000 0.000) 0.000 7.369 ( -0.000 -0.000 0.000) 0.000 7.401 ( -0.000 -0.000 0.000) 0.000 7.985 ( -0.000 -0.000 0.000) 0.000 8.104 ( -0.000 -0.000 0.000) 0.000 8.424 ( -0.000 -0.000 0.000) 0.000 8.464 ( -0.000 -0.000 0.000) 0.000 8.699 ( -0.000 -0.000 0.000) 0.000 9.020 ( -0.000 -0.000 0.000) 0.000 9.159 ( -0.000 -0.000 0.000) 0.000 9.186 ( -0.000 -0.000 0.000) 0.000 9.803 ( -0.000 -0.000 0.000) 0.000 10.799 ( -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: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.211 ( -0.000 13.066 -0.000) 13.066 0.290 ( -0.000 15.328 -0.000) 15.328 0.659 ( -0.000 34.069 -0.000) 34.069 1.439 ( 0.000 -1.677 0.000) 1.677 1.751 ( -0.000 0.012 -0.000) 0.012 1.758 ( 0.000 -0.675 0.000) 0.675 1.842 ( -0.000 0.091 -0.000) 0.091 1.907 ( 0.000 -0.429 0.000) 0.429 2.380 ( 0.000 -0.784 0.000) 0.784 2.762 ( -0.000 1.585 -0.000) 1.585 3.585 ( 0.000 -9.342 0.000) 9.342 3.712 ( 0.000 -2.958 0.000) 2.958 4.247 ( 0.000 -5.743 0.000) 5.743 4.294 ( 0.000 -2.407 0.000) 2.407 5.568 ( 0.000 -7.378 0.000) 7.378 7.392 ( -0.000 1.798 -0.000) 1.798 7.444 ( -0.000 3.440 -0.000) 3.440 8.000 ( -0.000 0.229 -0.000) 0.229 8.068 ( 0.000 -0.487 0.000) 0.487 8.443 ( -0.000 2.985 -0.000) 2.985 8.553 ( -0.000 7.128 -0.000) 7.128 8.728 ( -0.000 2.250 -0.000) 2.250 8.780 ( -0.000 0.977 -0.000) 0.977 9.171 ( -0.000 0.045 -0.000) 0.045 9.336 ( 0.000 -0.123 0.000) 0.123 9.762 ( -0.000 2.398 -0.000) 2.398 10.791 ( 0.000 -2.424 0.000) 2.424 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -7.003 13.749 3.337) 15.786 0.532 ( -9.519 13.116 2.116) 16.344 1.080 ( -12.258 26.933 0.916) 29.606 1.428 ( 0.178 -1.901 1.961) 2.737 1.669 ( 6.705 0.150 0.528) 6.728 1.750 ( -0.640 -1.798 -3.144) 3.678 1.912 ( -1.448 -0.995 -0.288) 1.781 1.918 ( -4.312 -1.130 2.879) 5.306 2.323 ( 3.310 1.780 -2.629) 4.586 2.800 ( -2.136 3.193 -0.018) 3.842 3.417 ( 7.507 -13.633 0.030) 15.563 3.653 ( 3.025 -3.353 -0.128) 4.518 4.130 ( 5.475 -9.358 0.039) 10.842 4.256 ( 1.870 -2.692 -0.010) 3.278 5.429 ( 6.745 -9.381 0.030) 11.554 7.435 ( -2.661 2.300 -0.055) 3.518 7.498 ( -1.963 4.694 0.014) 5.087 7.999 ( 0.421 0.229 -0.061) 0.483 8.065 ( -0.170 -0.659 0.171) 0.702 8.510 ( -3.763 3.735 0.012) 5.302 8.659 ( -3.676 8.959 -0.098) 9.684 8.764 ( -1.355 2.553 0.091) 2.892 8.808 ( -0.990 1.213 1.741) 2.341 9.167 ( 0.435 0.335 0.068) 0.554 9.330 ( -0.030 -0.249 -1.047) 1.077 9.804 ( -1.616 3.574 0.328) 3.936 10.745 ( 1.954 -3.484 -0.451) 4.020 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -11.704 14.168 1.187) 18.415 0.833 ( -10.800 12.074 2.385) 16.375 1.376 ( -0.654 1.536 -1.096) 1.997 1.516 ( -4.998 9.593 3.223) 11.287 1.596 ( 1.540 3.155 0.815) 3.604 1.721 ( -0.898 0.383 -2.276) 2.477 1.908 ( 0.495 -1.722 -1.129) 2.118 1.970 ( -1.649 -1.731 1.970) 3.098 2.321 ( -3.930 3.605 -2.525) 5.900 2.896 ( -4.561 6.309 -0.113) 7.786 3.104 ( 13.669 -15.620 -0.199) 20.757 3.560 ( 4.106 -3.647 -0.170) 5.494 3.909 ( 8.354 -13.453 0.043) 15.836 4.169 ( 7.103 -1.487 0.013) 7.257 5.208 ( 8.463 -9.929 0.054) 13.046 7.505 ( -2.768 2.971 -0.184) 4.065 7.593 ( -4.299 4.355 -0.115) 6.120 7.988 ( 1.124 -0.098 0.033) 1.129 8.063 ( -0.150 -0.659 0.217) 0.710 8.615 ( -4.093 4.459 -0.036) 6.053 8.813 ( -1.787 2.059 0.301) 2.743 8.822 ( -6.159 7.627 0.015) 9.803 8.855 ( -1.687 1.552 1.437) 2.705 9.164 ( 0.341 0.220 0.038) 0.407 9.316 ( 0.391 -0.658 -1.053) 1.302 9.886 ( -3.295 4.543 0.585) 5.643 10.658 ( 3.640 -4.259 -0.989) 5.689 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -14.008 12.475 -1.687) 18.833 1.127 ( -10.049 10.848 1.989) 14.920 1.362 ( 1.438 -0.258 1.646) 2.201 1.521 ( 1.093 1.150 -2.556) 3.008 1.650 ( 1.946 2.758 2.348) 4.112 1.788 ( 0.610 -0.466 -1.193) 1.419 1.861 ( -0.577 1.082 -1.094) 1.643 1.976 ( -0.145 -1.617 1.069) 1.944 2.524 ( -16.705 5.582 -0.905) 17.637 2.706 ( 16.755 -14.985 -0.418) 22.482 3.067 ( -6.800 10.721 -0.148) 12.696 3.461 ( 3.324 -3.652 -0.254) 4.945 3.622 ( 9.312 -17.026 0.025) 19.406 3.988 ( 15.492 1.227 0.060) 15.541 5.007 ( 4.290 -9.715 0.026) 10.620 7.570 ( -1.585 3.306 -0.227) 3.673 7.705 ( -5.281 2.872 -0.364) 6.022 7.959 ( 2.130 -0.979 0.283) 2.361 8.062 ( -0.029 -0.071 0.159) 0.176 8.713 ( -2.542 4.678 -0.079) 5.325 8.857 ( -1.461 1.291 0.414) 1.993 8.905 ( -1.594 1.338 0.885) 2.262 8.985 ( -6.239 4.902 0.305) 7.940 9.160 ( 0.344 0.029 -0.066) 0.352 9.287 ( 1.227 -1.219 -1.045) 2.021 10.000 ( -4.576 4.855 0.773) 6.716 10.539 ( 4.750 -4.585 -1.377) 6.744 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -4.827 3.212 -1.147) 5.910 1.341 ( -2.628 3.646 -0.817) 4.568 1.397 ( -3.872 4.171 2.284) 6.133 1.529 ( -1.823 3.416 -1.341) 4.098 1.635 ( 5.760 0.458 -2.202) 6.183 1.720 ( 0.224 2.024 1.856) 2.755 1.897 ( -1.009 0.377 -0.277) 1.112 1.986 ( -2.317 0.058 0.397) 2.351 2.320 ( 12.809 -10.339 -0.548) 16.470 2.883 ( -22.642 1.430 -0.199) 22.688 3.280 ( 2.147 -3.549 -0.079) 4.149 3.306 ( 2.384 -4.165 -0.042) 4.799 3.393 ( 0.733 -2.961 -0.357) 3.071 3.730 ( 18.911 7.778 0.098) 20.449 4.899 ( -1.714 -8.725 -0.102) 8.893 7.609 ( 0.291 2.662 -0.113) 2.680 7.803 ( -4.715 1.315 -0.524) 4.923 7.904 ( 3.132 -2.123 0.465) 3.812 8.067 ( 0.017 0.994 0.101) 0.999 8.774 ( 0.163 3.888 -0.075) 3.892 8.887 ( -0.558 0.779 0.309) 1.007 8.938 ( -0.736 0.654 0.199) 1.005 9.112 ( -4.614 2.431 0.728) 5.266 9.153 ( 0.326 -0.145 -0.192) 0.405 9.237 ( 2.246 -1.754 -0.972) 3.012 10.117 ( -3.336 3.584 0.551) 4.927 10.416 ( 3.456 -3.691 -1.035) 5.161 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 5.305 -1.443 2.322) 5.968 1.339 ( 6.322 -1.793 -2.177) 6.923 1.378 ( 3.081 -1.867 -2.408) 4.333 1.491 ( 2.342 0.213 0.027) 2.352 1.669 ( 5.810 -2.395 -1.301) 6.417 1.719 ( -4.138 8.308 1.640) 9.426 1.903 ( 0.428 -0.055 0.212) 0.481 1.985 ( 0.886 -1.746 -0.190) 1.967 2.329 ( -15.999 6.507 0.018) 17.271 2.917 ( 14.039 -18.786 -0.064) 23.453 3.245 ( -15.711 -0.364 -0.107) 15.716 3.281 ( 6.503 -0.056 0.164) 6.506 3.381 ( -2.512 -1.860 -0.495) 3.164 3.745 ( -3.229 19.407 -0.110) 19.674 4.892 ( -6.575 -6.489 -0.281) 9.242 7.607 ( 2.334 1.415 0.086) 2.731 7.816 ( 4.190 -2.475 0.441) 4.886 7.883 ( -3.564 0.047 -0.387) 3.585 8.079 ( 0.066 1.543 -0.032) 1.545 8.777 ( 3.094 2.469 0.012) 3.958 8.892 ( 0.838 0.267 0.160) 0.895 8.941 ( 0.455 -0.032 -0.629) 0.777 9.117 ( 4.062 -2.362 -0.566) 4.732 9.163 ( 0.330 0.546 -0.180) 0.663 9.220 ( -2.783 0.165 0.735) 2.883 10.118 ( 4.553 -1.208 -1.179) 4.856 10.408 ( -4.458 0.722 1.018) 4.630 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 17.156 -4.136 -0.287) 17.649 1.102 ( 13.690 -4.771 -2.827) 14.771 1.363 ( -1.127 0.539 -1.553) 1.993 1.485 ( -0.234 0.608 1.382) 1.527 1.573 ( 0.767 -3.121 -1.207) 3.433 1.860 ( 5.344 0.845 0.548) 5.439 1.875 ( -2.947 5.709 1.569) 6.613 1.993 ( -2.172 0.248 -0.683) 2.290 2.509 ( 16.099 -13.840 0.661) 21.241 2.727 ( -22.174 8.034 -0.156) 23.585 3.057 ( 11.911 -0.410 0.243) 11.921 3.427 ( -5.044 -0.928 -0.610) 5.165 3.597 ( -21.101 -0.806 -0.106) 21.117 3.993 ( -6.257 13.144 -0.151) 14.558 4.986 ( -10.951 -2.577 -0.408) 11.258 7.566 ( 3.623 0.319 0.217) 3.643 7.714 ( 5.663 -2.524 0.429) 6.214 7.933 ( -2.712 -0.022 -0.222) 2.722 8.090 ( 0.245 1.189 -0.238) 1.237 8.727 ( 5.205 1.268 0.129) 5.359 8.867 ( 2.373 -0.292 0.146) 2.395 8.916 ( 1.433 -0.328 -1.488) 2.092 8.984 ( 7.883 -3.506 -0.590) 8.648 9.161 ( 0.092 0.302 -0.376) 0.491 9.272 ( -2.111 0.143 1.288) 2.477 9.995 ( 6.218 -2.124 -1.592) 6.761 10.526 ( -6.455 1.658 1.609) 6.856 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 17.287 -2.715 -3.228) 17.794 0.812 ( 14.407 -3.681 -3.506) 15.277 1.368 ( 4.618 -0.387 0.258) 4.642 1.497 ( -0.070 -0.285 -2.624) 2.641 1.519 ( 1.913 -2.072 -0.975) 2.984 1.725 ( 6.825 -0.731 1.887) 7.119 1.976 ( -1.192 4.756 1.530) 5.136 2.021 ( -1.273 0.446 -1.792) 2.243 2.228 ( 7.167 -7.004 2.959) 10.449 2.900 ( 7.449 -0.431 0.166) 7.463 3.142 ( -20.848 5.352 0.044) 21.524 3.506 ( -5.979 -0.601 -0.633) 6.043 3.902 ( -17.030 0.263 -0.057) 17.032 4.164 ( -4.668 4.942 -0.144) 6.800 5.179 ( -13.858 0.683 -0.391) 13.881 7.508 ( 3.703 -0.170 0.210) 3.713 7.598 ( 6.483 -1.569 0.251) 6.674 7.966 ( -1.652 -0.053 -0.018) 1.653 8.090 ( 0.399 0.510 -0.360) 0.741 8.646 ( 5.904 0.737 0.214) 5.953 8.793 ( 9.281 -2.974 -0.083) 9.746 8.823 ( 4.342 -0.719 -0.132) 4.403 8.875 ( 1.635 -0.245 -2.310) 2.840 9.158 ( 0.165 -0.017 -0.373) 0.408 9.306 ( -0.907 0.020 1.417) 1.682 9.877 ( 5.006 -1.210 -1.368) 5.329 10.649 ( -5.740 1.032 1.321) 5.980 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 13.311 0.000 -6.505) 14.815 0.531 ( 15.012 0.000 -3.483) 15.410 1.041 ( 27.199 0.000 -3.552) 27.430 1.485 ( 1.218 0.000 -0.586) 1.352 1.551 ( -8.584 0.000 -4.388) 9.641 1.739 ( -2.113 -0.000 6.215) 6.564 1.995 ( 2.646 0.000 -1.315) 2.955 2.032 ( -1.019 -0.000 1.213) 1.584 2.150 ( 1.984 -0.000 1.228) 2.333 2.808 ( 4.084 0.000 0.065) 4.084 3.470 ( -16.023 -0.000 0.229) 16.025 3.588 ( -5.098 0.000 -0.509) 5.123 4.134 ( -11.462 -0.000 -0.030) 11.462 4.246 ( -3.291 -0.000 -0.101) 3.292 5.403 ( -12.965 -0.000 -0.253) 12.967 7.455 ( 2.765 0.000 0.145) 2.769 7.488 ( 6.122 0.000 0.031) 6.123 7.986 ( -0.846 -0.000 0.083) 0.850 8.083 ( 0.389 0.000 -0.327) 0.508 8.565 ( 4.854 0.000 0.228) 4.859 8.607 ( 10.213 0.000 -0.192) 10.215 8.763 ( 3.237 0.000 0.098) 3.239 8.833 ( 0.906 0.000 -3.215) 3.340 9.152 ( 0.219 0.000 -0.274) 0.351 9.324 ( 0.079 -0.000 1.703) 1.704 9.797 ( 3.254 0.000 -0.919) 3.382 10.742 ( -4.125 -0.000 0.779) 4.198 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 16.176 0.000 -0.000) 16.176 0.504 ( 15.642 0.000 -0.000) 15.642 1.016 ( 29.005 0.000 -0.000) 29.005 1.480 ( 1.369 0.000 -0.000) 1.369 1.514 ( -7.601 -0.000 0.000) 7.601 1.793 ( -4.350 -0.000 0.000) 4.350 1.979 ( 2.375 0.000 -0.000) 2.375 2.041 ( -1.060 -0.000 0.000) 1.060 2.159 ( 3.479 0.000 -0.000) 3.479 2.808 ( 4.120 0.000 -0.000) 4.120 3.472 ( -16.087 -0.000 0.000) 16.087 3.584 ( -5.106 -0.000 0.000) 5.106 4.134 ( -11.464 -0.000 0.000) 11.464 4.245 ( -3.298 -0.000 0.000) 3.298 5.402 ( -12.990 -0.000 0.000) 12.990 7.456 ( 2.766 0.000 -0.000) 2.766 7.488 ( 6.196 0.000 -0.000) 6.196 7.986 ( -0.882 -0.000 0.000) 0.882 8.081 ( 0.409 0.000 -0.000) 0.409 8.567 ( 4.853 0.000 -0.000) 4.853 8.606 ( 10.197 0.000 -0.000) 10.197 8.764 ( 3.223 0.000 -0.000) 3.223 8.807 ( 2.117 0.000 -0.000) 2.117 9.150 ( 0.202 0.000 -0.000) 0.202 9.337 ( -0.552 -0.000 0.000) 0.552 9.790 ( 3.207 0.000 -0.000) 3.207 10.748 ( -4.023 -0.000 0.000) 4.023 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( 0.000 7.716 12.110) 14.359 0.342 ( -0.000 13.068 6.558) 14.621 0.696 ( -0.000 31.146 4.894) 31.529 1.463 ( 0.000 -1.167 2.504) 2.763 1.691 ( -0.000 -0.294 -6.761) 6.768 1.798 ( 0.000 -4.319 4.245) 6.056 1.894 ( 0.000 -0.279 4.781) 4.789 1.916 ( 0.000 -1.574 1.503) 2.176 2.315 ( -0.000 1.765 -7.692) 7.892 2.762 ( -0.000 1.582 0.036) 1.583 3.589 ( 0.000 -9.522 0.422) 9.532 3.709 ( 0.000 -2.986 -0.409) 3.014 4.248 ( 0.000 -5.756 0.113) 5.757 4.293 ( 0.000 -2.355 -0.057) 2.355 5.569 ( 0.000 -7.432 0.081) 7.432 7.391 ( -0.000 1.802 -0.065) 1.804 7.445 ( -0.000 3.437 0.001) 3.437 7.999 ( -0.000 0.233 -0.168) 0.287 8.071 ( 0.000 -0.501 0.373) 0.625 8.444 ( -0.000 2.980 0.129) 2.983 8.551 ( -0.000 7.098 -0.266) 7.103 8.728 ( -0.000 2.322 -0.069) 2.323 8.834 ( 0.000 -2.913 5.914) 6.592 9.172 ( 0.000 0.037 0.193) 0.197 9.302 ( -0.000 2.473 -3.849) 4.575 9.767 ( -0.000 2.326 0.703) 2.429 10.786 ( 0.000 -2.566 -0.545) 2.623 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -4.182 9.451 8.088) 13.124 0.589 ( -8.133 12.075 5.563) 15.585 1.104 ( -11.425 23.203 2.086) 25.947 1.476 ( -0.304 -0.110 4.293) 4.305 1.637 ( 1.671 -1.986 -5.875) 6.422 1.733 ( 4.251 0.116 1.974) 4.689 1.904 ( -0.906 -1.407 -0.794) 1.853 1.969 ( -3.111 -2.029 3.424) 5.052 2.256 ( 1.728 2.875 -6.217) 7.064 2.800 ( -2.099 3.108 -0.012) 3.751 3.418 ( 7.693 -13.878 0.043) 15.867 3.649 ( 2.779 -3.513 -0.374) 4.495 4.131 ( 5.494 -9.382 0.101) 10.873 4.256 ( 1.833 -2.707 0.002) 3.269 5.430 ( 6.670 -9.511 0.083) 11.617 7.434 ( -2.574 2.307 -0.151) 3.460 7.498 ( -1.956 4.629 -0.081) 5.026 7.998 ( 0.346 0.257 -0.161) 0.460 8.070 ( -0.126 -0.706 0.447) 0.845 8.511 ( -3.665 3.741 0.069) 5.238 8.657 ( -3.851 8.895 -0.225) 9.696 8.764 ( -1.397 2.763 -0.014) 3.096 8.851 ( -0.080 -0.399 3.874) 3.895 9.169 ( 0.497 0.311 0.162) 0.608 9.304 ( -0.696 0.549 -2.431) 2.587 9.813 ( -1.678 3.379 0.868) 3.872 10.734 ( 2.058 -3.682 -1.011) 4.338 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -9.038 11.126 2.751) 14.596 0.882 ( -9.693 11.599 4.265) 15.706 1.362 ( -2.534 3.795 -0.894) 4.649 1.532 ( 2.954 -0.677 -2.214) 3.753 1.628 ( -6.606 9.245 4.206) 12.115 1.701 ( 1.102 0.844 0.114) 1.393 1.884 ( 0.727 -2.082 -2.126) 3.063 1.999 ( -0.731 -2.040 1.778) 2.803 2.273 ( -5.561 5.321 -3.773) 8.572 2.895 ( -4.599 6.095 -0.118) 7.637 3.100 ( 13.618 -15.988 -0.345) 21.005 3.556 ( 3.916 -3.913 -0.320) 5.545 3.910 ( 8.364 -13.490 0.070) 15.872 4.169 ( 7.049 -1.545 0.038) 7.216 5.209 ( 8.393 -10.074 0.087) 13.112 7.502 ( -2.714 2.996 -0.302) 4.054 7.590 ( -4.189 4.282 -0.240) 5.995 7.989 ( 0.949 -0.011 0.051) 0.951 8.067 ( -0.067 -0.773 0.359) 0.855 8.615 ( -4.030 4.468 -0.023) 6.017 8.816 ( -2.029 2.871 0.109) 3.518 8.822 ( -6.241 7.100 0.026) 9.453 8.885 ( -0.945 0.550 2.584) 2.806 9.165 ( 0.396 0.141 0.037) 0.422 9.295 ( -0.006 -0.402 -1.805) 1.849 9.897 ( -3.442 4.236 0.955) 5.541 10.639 ( 3.750 -4.381 -1.511) 5.961 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -12.361 10.847 -1.650) 16.528 1.165 ( -8.848 9.865 3.186) 13.629 1.388 ( 0.087 1.009 1.834) 2.095 1.482 ( 0.531 1.044 -2.899) 3.127 1.673 ( 2.420 1.163 0.791) 2.799 1.774 ( 2.528 -0.989 -0.822) 2.836 1.847 ( -2.694 1.785 -0.635) 3.294 1.989 ( 0.441 -1.645 0.667) 1.829 2.510 ( -17.473 6.658 -0.849) 18.718 2.699 ( 16.526 -15.496 -0.577) 22.662 3.065 ( -6.924 10.526 -0.145) 12.600 3.457 ( 3.177 -3.941 -0.347) 5.074 3.622 ( 9.321 -17.075 0.033) 19.453 3.989 ( 15.411 1.166 0.085) 15.455 5.007 ( 4.285 -9.871 0.033) 10.761 7.566 ( -1.653 3.351 -0.288) 3.747 7.698 ( -5.116 2.884 -0.470) 5.892 7.964 ( 1.945 -0.957 0.357) 2.197 8.064 ( 0.036 -0.137 0.201) 0.246 8.712 ( -2.528 4.664 -0.054) 5.306 8.862 ( -1.389 1.546 0.258) 2.094 8.922 ( -0.976 0.617 1.471) 1.871 8.990 ( -6.587 4.893 0.342) 8.213 9.158 ( 0.375 -0.087 -0.093) 0.396 9.269 ( 0.967 -1.102 -1.491) 2.091 10.013 ( -4.721 4.493 0.961) 6.588 10.516 ( 4.669 -4.522 -1.663) 6.709 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -6.369 4.642 -2.717) 8.337 1.348 ( -2.839 3.353 1.534) 4.654 1.430 ( -0.970 1.468 1.981) 2.650 1.517 ( -2.276 2.362 -0.316) 3.295 1.599 ( 4.149 1.878 -2.423) 5.158 1.733 ( 0.844 1.738 -0.034) 1.933 1.903 ( -1.390 0.628 1.065) 1.860 1.986 ( -1.878 -0.151 -0.392) 1.924 2.311 ( 12.325 -10.542 -0.585) 16.229 2.880 ( -22.648 1.650 -0.163) 22.709 3.279 ( 1.835 -3.318 -0.068) 3.792 3.306 ( 2.528 -4.552 -0.011) 5.207 3.388 ( 0.624 -3.253 -0.388) 3.335 3.732 ( 18.934 7.706 0.110) 20.442 4.897 ( -1.675 -8.910 -0.101) 9.067 7.607 ( 0.157 2.743 -0.122) 2.751 7.795 ( -4.683 1.440 -0.529) 4.928 7.911 ( 3.029 -2.270 0.454) 3.813 8.069 ( 0.111 1.018 0.121) 1.031 8.773 ( 0.127 3.875 -0.015) 3.877 8.891 ( -0.393 0.917 0.194) 1.016 8.943 ( -0.173 0.096 0.497) 0.536 9.122 ( -4.747 2.487 0.608) 5.393 9.150 ( 0.355 -0.230 -0.176) 0.458 9.222 ( 1.814 -1.709 -1.144) 2.742 10.125 ( -2.717 2.893 0.438) 3.993 10.402 ( 2.465 -3.140 -0.897) 4.092 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 2.100 -0.483 -1.236) 2.484 1.324 ( 8.418 -4.944 -1.076) 9.821 1.367 ( 5.706 -0.598 1.650) 5.970 1.489 ( 0.233 0.446 -0.331) 0.602 1.644 ( 6.281 -3.591 -2.009) 7.509 1.740 ( -4.789 9.072 1.223) 10.331 1.914 ( 0.752 -0.002 1.203) 1.419 1.976 ( 0.611 -1.736 -1.007) 2.097 2.329 ( -15.911 6.330 -0.038) 17.124 2.917 ( 13.859 -18.927 0.004) 23.459 3.243 ( -16.972 -0.451 -0.092) 16.979 3.284 ( 7.677 0.131 0.154) 7.680 3.375 ( -2.597 -2.181 -0.410) 3.416 3.743 ( -3.144 19.383 -0.078) 19.636 4.888 ( -6.547 -6.690 -0.227) 9.363 7.608 ( 2.216 1.498 0.065) 2.675 7.821 ( 3.847 -2.534 0.312) 4.617 7.878 ( -3.363 0.112 -0.294) 3.378 8.079 ( 0.233 1.528 -0.002) 1.545 8.778 ( 3.050 2.504 0.055) 3.947 8.893 ( 0.972 0.417 0.061) 1.060 8.935 ( 1.040 -0.479 -0.234) 1.168 9.108 ( 4.293 -2.400 -0.605) 4.956 9.159 ( 0.362 0.191 -0.300) 0.508 9.230 ( -3.518 0.528 0.627) 3.613 10.102 ( 5.099 -1.792 -1.023) 5.501 10.422 ( -5.311 1.204 0.909) 5.522 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 13.761 -5.413 -1.625) 14.876 1.086 ( 19.370 -5.491 -0.027) 20.133 1.343 ( -1.979 0.851 -1.021) 2.384 1.503 ( -0.772 -0.067 1.026) 1.286 1.555 ( 1.050 -1.905 -1.166) 2.468 1.870 ( 6.168 0.005 0.697) 6.207 1.895 ( -3.259 6.428 1.031) 7.280 1.979 ( -1.925 0.105 -1.013) 2.177 2.519 ( 14.755 -13.857 0.581) 20.250 2.725 ( -22.268 8.015 -0.120) 23.667 3.060 ( 12.044 -0.213 0.164) 12.047 3.419 ( -5.120 -1.238 -0.379) 5.281 3.596 ( -21.147 -0.826 -0.066) 21.163 3.991 ( -6.222 13.167 -0.087) 14.563 4.981 ( -10.965 -2.736 -0.253) 11.304 7.569 ( 3.577 0.346 0.135) 3.596 7.719 ( 5.649 -2.625 0.244) 6.234 7.930 ( -2.793 0.109 -0.138) 2.799 8.087 ( 0.391 1.146 -0.138) 1.218 8.729 ( 5.186 1.358 0.097) 5.362 8.868 ( 2.382 -0.044 0.048) 2.383 8.900 ( 2.099 -0.718 -0.703) 2.327 8.976 ( 7.796 -3.546 -0.470) 8.577 9.157 ( 0.007 0.086 -0.262) 0.276 9.287 ( -2.326 0.271 0.707) 2.446 9.976 ( 6.207 -2.296 -0.983) 6.690 10.546 ( -6.547 1.703 1.013) 6.840 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 19.615 -3.631 -1.147) 19.981 0.776 ( 14.820 -3.955 -1.369) 15.399 1.387 ( 2.927 -0.296 2.398) 3.796 1.441 ( 6.771 -1.569 -4.127) 8.083 1.513 ( 1.155 -1.377 -0.154) 1.804 1.756 ( 3.413 -0.197 1.601) 3.775 1.992 ( -1.208 4.584 0.533) 4.770 1.997 ( -0.713 0.496 -1.124) 1.421 2.259 ( 6.015 -7.000 1.178) 9.304 2.902 ( 7.569 -0.312 0.075) 7.576 3.142 ( -20.969 5.451 0.013) 21.666 3.499 ( -6.043 -0.820 -0.242) 6.104 3.901 ( -17.050 0.257 -0.022) 17.052 4.163 ( -4.655 4.950 -0.050) 6.795 5.175 ( -13.901 0.617 -0.150) 13.915 7.510 ( 3.699 -0.185 0.081) 3.705 7.601 ( 6.574 -1.588 0.079) 6.763 7.966 ( -1.728 -0.009 -0.007) 1.728 8.086 ( 0.468 0.486 -0.136) 0.688 8.649 ( 5.913 0.860 0.086) 5.976 8.793 ( 10.033 -3.310 0.009) 10.565 8.821 ( 3.496 -0.379 -0.086) 3.517 8.851 ( 2.444 -0.463 -0.905) 2.647 9.154 ( 0.116 -0.113 -0.156) 0.225 9.321 ( -1.218 0.097 0.510) 1.324 9.863 ( 4.933 -1.275 -0.521) 5.121 10.663 ( -5.626 1.010 0.528) 5.741 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 0.000 9.916 9.037) 13.416 0.502 ( 0.000 7.281 11.930) 13.976 0.793 ( -0.000 21.811 8.228) 23.311 1.503 ( 0.000 0.869 3.105) 3.224 1.585 ( -0.000 -0.068 -7.633) 7.633 1.829 ( 0.000 -3.118 0.231) 3.127 1.947 ( 0.000 -4.820 1.989) 5.214 1.959 ( 0.000 -0.488 3.951) 3.981 2.191 ( -0.000 2.877 -8.854) 9.310 2.763 ( -0.000 1.574 0.059) 1.575 3.596 ( 0.000 -9.821 0.507) 9.834 3.701 ( 0.000 -3.060 -0.663) 3.131 4.250 ( 0.000 -5.790 0.182) 5.793 4.293 ( 0.000 -2.362 -0.003) 2.362 5.571 ( 0.000 -7.594 0.169) 7.596 7.390 ( -0.000 1.814 -0.105) 1.817 7.443 ( -0.000 3.522 -0.222) 3.529 7.996 ( -0.000 0.244 -0.268) 0.362 8.078 ( 0.000 -0.531 0.599) 0.801 8.446 ( -0.000 2.968 0.206) 2.975 8.546 ( -0.000 7.050 -0.365) 7.059 8.726 ( -0.000 2.396 -0.116) 2.399 8.914 ( 0.000 -4.540 4.658) 6.505 9.176 ( 0.000 0.017 0.312) 0.312 9.247 ( -0.000 3.927 -3.401) 5.195 9.781 ( -0.000 2.131 1.155) 2.424 10.777 ( 0.000 -3.031 -0.602) 3.090 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -1.851 5.813 9.653) 11.420 0.685 ( -5.657 10.352 7.394) 13.923 1.132 ( -10.272 17.509 1.439) 20.351 1.521 ( -0.159 1.207 -3.869) 4.056 1.563 ( -0.921 0.359 1.954) 2.190 1.768 ( 4.973 -0.666 2.163) 5.464 1.889 ( 0.272 -2.451 -1.275) 2.776 2.009 ( -2.019 -1.669 1.977) 3.282 2.158 ( -0.190 3.767 -6.773) 7.753 2.800 ( -2.056 3.015 0.020) 3.649 3.418 ( 7.927 -14.255 0.004) 16.311 3.643 ( 2.409 -3.775 -0.499) 4.505 4.133 ( 5.525 -9.419 0.123) 10.920 4.256 ( 1.782 -2.758 0.037) 3.284 5.431 ( 6.573 -9.712 0.108) 11.727 7.431 ( -2.433 2.324 -0.193) 3.370 7.496 ( -1.995 4.597 -0.234) 5.017 7.995 ( 0.230 0.301 -0.200) 0.428 8.077 ( -0.066 -0.790 0.561) 0.971 8.512 ( -3.525 3.742 0.112) 5.143 8.653 ( -4.066 8.842 -0.265) 9.736 8.764 ( -1.433 2.882 -0.054) 3.219 8.909 ( 0.496 -1.425 3.793) 4.082 9.171 ( 0.610 0.288 0.158) 0.693 9.266 ( -1.292 1.085 -2.646) 3.138 9.828 ( -1.777 3.060 1.087) 3.702 10.719 ( 2.282 -4.094 -1.052) 4.804 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -5.423 7.109 3.912) 9.759 0.951 ( -8.462 11.210 4.988) 14.904 1.349 ( -3.604 4.546 -0.969) 5.882 1.472 ( 0.827 -0.434 -5.148) 5.232 1.697 ( -6.076 5.835 4.653) 9.623 1.719 ( 3.603 1.368 1.906) 4.300 1.848 ( 0.930 -2.545 -2.779) 3.882 2.018 ( -0.007 -1.943 0.839) 2.117 2.220 ( -7.585 7.459 -3.322) 11.145 2.893 ( -4.629 5.894 -0.061) 7.495 3.094 ( 13.574 -16.466 -0.371) 21.343 3.551 ( 3.667 -4.246 -0.364) 5.622 3.911 ( 8.375 -13.534 0.069) 15.916 4.170 ( 6.986 -1.622 0.056) 7.172 5.210 ( 8.309 -10.250 0.086) 13.195 7.497 ( -2.648 3.023 -0.306) 4.030 7.586 ( -4.083 4.230 -0.294) 5.887 7.990 ( 0.730 0.107 0.050) 0.740 8.073 ( 0.033 -0.926 0.371) 0.998 8.614 ( -3.940 4.504 0.001) 5.984 8.817 ( -2.328 3.398 0.038) 4.119 8.823 ( -6.304 6.694 -0.012) 9.195 8.924 ( -0.297 -0.271 2.691) 2.720 9.165 ( 0.454 0.051 0.005) 0.457 9.267 ( -0.395 -0.143 -2.007) 2.051 9.912 ( -3.622 3.857 0.963) 5.378 10.617 ( 3.933 -4.584 -1.420) 6.204 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -10.457 8.852 -1.055) 13.741 1.218 ( -7.766 9.124 3.979) 12.625 1.410 ( -1.777 3.015 0.960) 3.628 1.437 ( -0.219 0.788 -3.174) 3.278 1.680 ( 3.437 -1.495 0.415) 3.771 1.757 ( 3.502 -0.376 -1.596) 3.867 1.847 ( -3.922 1.832 0.567) 4.366 1.995 ( 0.960 -1.461 0.138) 1.753 2.501 ( -18.157 7.580 -0.457) 19.682 2.691 ( 16.405 -16.055 -0.512) 22.960 3.063 ( -7.034 10.345 -0.088) 12.511 3.452 ( 3.020 -4.228 -0.307) 5.205 3.623 ( 9.328 -17.123 0.028) 19.498 3.990 ( 15.333 1.104 0.078) 15.373 5.007 ( 4.279 -10.026 0.027) 10.901 7.562 ( -1.720 3.392 -0.239) 3.811 7.692 ( -4.964 2.907 -0.395) 5.766 7.969 ( 1.768 -0.928 0.295) 2.019 8.067 ( 0.096 -0.207 0.166) 0.282 8.712 ( -2.506 4.695 -0.016) 5.322 8.865 ( -1.393 1.696 0.100) 2.197 8.944 ( -0.366 -0.090 1.481) 1.528 8.994 ( -6.883 4.921 0.244) 8.465 9.157 ( 0.394 -0.191 -0.082) 0.446 9.247 ( 0.698 -0.953 -1.436) 1.860 10.026 ( -4.854 4.128 0.781) 6.420 10.494 ( 4.594 -4.471 -1.314) 6.544 ======================= Grid point 134 (54/171) ======================= q-point: ( 0.70 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -6.617 4.916 -1.744) 8.426 1.377 ( -2.856 2.703 2.164) 4.488 1.445 ( -0.874 1.163 -0.006) 1.455 1.515 ( 0.476 -1.852 -0.326) 1.939 1.575 ( 0.735 6.185 -0.597) 6.257 1.724 ( 1.558 1.112 -0.881) 2.107 1.923 ( -2.638 0.818 1.486) 3.136 1.976 ( -0.736 -0.346 -0.928) 1.234 2.304 ( 11.949 -10.675 -0.381) 16.027 2.878 ( -22.622 1.793 -0.081) 22.693 3.279 ( 1.632 -3.238 -0.036) 3.626 3.306 ( 2.595 -4.736 0.013) 5.400 3.383 ( 0.529 -3.508 -0.259) 3.557 3.733 ( 18.947 7.649 0.074) 20.433 4.896 ( -1.643 -9.060 -0.061) 9.208 7.605 ( 0.048 2.807 -0.081) 2.809 7.788 ( -4.657 1.543 -0.329) 4.917 7.917 ( 2.952 -2.402 0.274) 3.815 8.070 ( 0.184 1.054 0.086) 1.074 8.774 ( 0.116 3.914 0.018) 3.916 8.892 ( -0.319 0.981 0.052) 1.033 8.951 ( 0.297 -0.379 0.500) 0.694 9.128 ( -4.572 2.407 0.278) 5.175 9.149 ( 0.272 -0.181 -0.074) 0.335 9.207 ( 1.305 -1.637 -0.812) 2.245 10.129 ( -2.066 2.247 0.201) 3.059 10.392 ( 1.518 -2.611 -0.473) 3.057 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -0.377 0.342 -0.412) 0.655 1.306 ( 10.321 -5.932 -0.822) 11.933 1.396 ( 7.676 -0.812 1.438) 7.852 1.484 ( -1.659 0.204 -0.285) 1.695 1.619 ( 6.589 -3.966 -1.069) 7.765 1.753 ( -5.130 9.577 0.451) 10.874 1.933 ( 1.284 -0.368 1.332) 1.886 1.959 ( 0.193 -1.599 -1.254) 2.041 2.328 ( -15.866 6.234 -0.026) 17.047 2.917 ( 13.711 -18.997 0.014) 23.428 3.242 ( -17.599 -0.502 -0.036) 17.607 3.285 ( 8.254 0.246 0.064) 8.257 3.370 ( -2.655 -2.379 -0.159) 3.568 3.743 ( -3.090 19.366 -0.028) 19.611 4.886 ( -6.529 -6.815 -0.086) 9.439 7.608 ( 2.140 1.550 0.024) 2.643 7.824 ( 3.559 -2.539 0.106) 4.373 7.875 ( -3.164 0.112 -0.106) 3.167 8.079 ( 0.342 1.524 0.005) 1.562 8.779 ( 3.045 2.552 0.033) 3.973 8.893 ( 1.047 0.484 -0.018) 1.154 8.934 ( 1.378 -0.738 0.006) 1.563 9.101 ( 4.409 -2.417 -0.279) 5.036 9.155 ( 0.236 -0.009 -0.133) 0.271 9.236 ( -3.787 0.711 0.235) 3.860 10.091 ( 5.372 -2.108 -0.403) 5.784 10.432 ( -5.775 1.456 0.364) 5.966 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 13.522 -5.706 0.000) 14.677 1.086 ( 20.462 -6.042 0.000) 21.336 1.336 ( -2.307 0.987 -0.000) 2.509 1.512 ( -1.187 -0.669 -0.000) 1.362 1.545 ( 1.498 -1.049 0.000) 1.829 1.876 ( 6.245 0.034 0.000) 6.245 1.903 ( -3.196 6.362 -0.000) 7.119 1.970 ( -1.839 0.003 -0.000) 1.839 2.524 ( 14.203 -13.855 0.000) 19.841 2.724 ( -22.314 8.023 -0.000) 23.712 3.061 ( 12.095 -0.132 0.000) 12.096 3.417 ( -5.149 -1.356 -0.000) 5.325 3.596 ( -21.164 -0.834 -0.000) 21.181 3.990 ( -6.209 13.176 -0.000) 14.566 4.980 ( -10.970 -2.798 -0.000) 11.322 7.570 ( 3.559 0.357 0.000) 3.576 7.720 ( 5.645 -2.667 0.000) 6.243 7.929 ( -2.824 0.160 -0.000) 2.829 8.086 ( 0.449 1.128 -0.000) 1.214 8.730 ( 5.187 1.401 0.000) 5.373 8.868 ( 2.376 0.090 0.000) 2.378 8.895 ( 2.350 -0.891 0.000) 2.513 8.973 ( 7.772 -3.581 0.000) 8.557 9.155 ( -0.026 0.001 -0.000) 0.026 9.292 ( -2.398 0.316 -0.000) 2.419 9.969 ( 6.201 -2.361 0.000) 6.635 10.553 ( -6.587 1.721 -0.000) 6.808 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 8.519 -0.000 9.470) 12.738 0.595 ( 13.781 -0.000 5.105) 14.696 1.113 ( 22.834 -0.000 5.920) 23.589 1.497 ( 0.779 -0.000 1.102) 1.350 1.594 ( -6.939 0.000 -2.300) 7.310 1.665 ( -1.704 -0.000 -0.061) 1.705 1.998 ( 4.853 0.000 -1.081) 4.971 2.007 ( -0.887 0.000 -2.135) 2.311 2.128 ( -0.881 0.000 -1.644) 1.865 2.807 ( 3.986 0.000 -0.055) 3.986 3.465 ( -15.856 -0.000 -0.371) 15.860 3.598 ( -5.068 -0.000 0.818) 5.133 4.135 ( -11.457 -0.000 0.048) 11.457 4.248 ( -3.290 -0.000 0.199) 3.296 5.408 ( -12.898 -0.000 0.404) 12.904 7.453 ( 2.762 0.000 -0.227) 2.771 7.487 ( 6.016 0.000 -0.202) 6.020 7.984 ( -0.751 0.000 -0.131) 0.762 8.090 ( 0.331 -0.000 0.541) 0.634 8.561 ( 4.862 0.000 -0.354) 4.875 8.611 ( 10.269 0.000 0.322) 10.274 8.761 ( 3.262 0.000 -0.127) 3.265 8.888 ( -0.770 -0.000 4.034) 4.106 9.157 ( 0.268 -0.000 0.381) 0.466 9.293 ( 1.064 0.000 -2.463) 2.683 9.815 ( 3.374 -0.000 1.497) 3.691 10.728 ( -4.503 0.000 -1.048) 4.623 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.000 8.019 8.751) 11.870 0.651 ( 0.000 13.737 8.363) 16.082 0.921 ( 0.000 7.552 8.951) 11.711 1.475 ( -0.000 0.021 -7.336) 7.336 1.553 ( 0.000 3.026 3.738) 4.809 1.822 ( 0.000 -1.382 -0.689) 1.545 1.957 ( 0.000 -5.003 -0.860) 5.077 2.007 ( 0.000 -0.611 2.712) 2.780 2.069 ( -0.000 2.645 -7.587) 8.035 2.764 ( -0.000 1.565 0.059) 1.566 3.603 ( 0.000 -10.205 0.453) 10.215 3.691 ( 0.000 -3.152 -0.664) 3.222 4.252 ( 0.000 -5.832 0.182) 5.835 4.293 ( 0.000 -2.397 0.025) 2.397 5.573 ( 0.000 -7.781 0.179) 7.783 7.388 ( -0.000 1.829 -0.104) 1.832 7.439 ( -0.000 3.522 -0.292) 3.534 7.992 ( -0.000 0.256 -0.264) 0.367 8.087 ( 0.000 -0.580 0.614) 0.845 8.449 ( -0.000 2.954 0.202) 2.961 8.541 ( -0.000 7.047 -0.368) 7.056 8.725 ( -0.000 2.438 -0.085) 2.440 8.967 ( 0.000 -3.377 2.753) 4.357 9.181 ( 0.000 -0.008 0.311) 0.311 9.206 ( -0.000 3.139 -2.204) 3.836 9.799 ( 0.000 1.887 1.171) 2.221 10.769 ( 0.000 -3.471 -0.510) 3.508 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -3.583 8.860 6.902) 11.789 0.804 ( -0.000 3.884 9.070) 9.866 1.136 ( -9.153 12.796 -1.199) 15.778 1.432 ( -0.662 -0.437 -5.808) 5.862 1.632 ( -1.880 4.026 5.076) 6.745 1.789 ( 3.465 -0.125 0.812) 3.561 1.866 ( 1.389 -3.621 -1.913) 4.325 2.026 ( -0.755 0.347 0.319) 0.890 2.073 ( -1.718 3.221 -4.462) 5.765 2.800 ( -2.027 2.957 0.030) 3.586 3.418 ( 8.120 -14.621 -0.027) 16.725 3.636 ( 2.062 -4.067 -0.416) 4.579 4.135 ( 5.558 -9.454 0.098) 10.967 4.257 ( 1.732 -2.820 0.046) 3.310 5.433 ( 6.490 -9.903 0.089) 11.841 7.429 ( -2.289 2.343 -0.159) 3.280 7.492 ( -2.051 4.576 -0.251) 5.021 7.992 ( 0.119 0.343 -0.161) 0.397 8.085 ( -0.012 -0.881 0.465) 0.996 8.514 ( -3.395 3.756 0.095) 5.064 8.650 ( -4.264 8.807 -0.217) 9.788 8.763 ( -1.456 2.932 -0.036) 3.274 8.956 ( 0.545 -1.576 2.699) 3.173 9.173 ( 0.712 0.295 0.049) 0.773 9.231 ( -1.500 1.051 -2.020) 2.727 9.843 ( -1.873 2.738 0.887) 3.434 10.705 ( 2.514 -4.516 -0.759) 5.225 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -1.923 3.260 3.243) 4.984 1.017 ( -7.625 11.499 3.718) 14.289 1.334 ( -4.836 5.638 -1.005) 7.495 1.403 ( -0.662 -0.321 -3.910) 3.979 1.741 ( 1.944 -0.489 1.764) 2.670 1.758 ( -2.256 4.891 2.854) 6.096 1.808 ( 0.906 -2.992 -2.509) 4.009 2.025 ( 0.521 -1.602 0.151) 1.692 2.182 ( -9.260 9.337 -1.803) 13.274 2.893 ( -4.647 5.777 -0.016) 7.414 3.090 ( 13.547 -16.872 -0.242) 21.639 3.547 ( 3.460 -4.526 -0.243) 5.702 3.912 ( 8.383 -13.568 0.042) 15.949 4.171 ( 6.938 -1.688 0.042) 7.141 5.211 ( 8.241 -10.391 0.052) 13.262 7.494 ( -2.595 3.042 -0.191) 4.003 7.582 ( -4.013 4.208 -0.204) 5.819 7.990 ( 0.552 0.208 0.031) 0.591 8.077 ( 0.114 -1.056 0.236) 1.088 8.615 ( -3.861 4.554 0.007) 5.970 8.817 ( -2.290 3.146 0.052) 3.891 8.822 ( -6.613 6.956 -0.055) 9.598 8.958 ( 0.073 -0.761 1.784) 1.941 9.165 ( 0.476 -0.021 -0.020) 0.477 9.241 ( -0.625 0.046 -1.415) 1.548 9.923 ( -3.767 3.551 0.599) 5.211 10.601 ( 4.105 -4.775 -0.839) 6.352 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -9.158 7.433 -0.340) 11.800 1.272 ( -7.667 9.984 3.003) 12.942 1.383 ( -0.935 0.756 -2.750) 3.001 1.427 ( -2.328 3.068 0.403) 3.872 1.687 ( 4.654 -4.107 0.518) 6.229 1.734 ( 2.617 1.237 -1.142) 3.112 1.856 ( -3.769 1.458 0.403) 4.061 1.995 ( 1.285 -1.226 -0.041) 1.777 2.497 ( -18.519 8.074 -0.119) 20.203 2.685 ( 16.377 -16.432 -0.206) 23.200 3.063 ( -7.097 10.241 -0.027) 12.460 3.449 ( 2.919 -4.407 -0.123) 5.287 3.623 ( 9.330 -17.152 0.011) 19.526 3.991 ( 15.286 1.064 0.032) 15.323 5.008 ( 4.275 -10.121 0.010) 10.987 7.560 ( -1.761 3.416 -0.093) 3.845 7.688 ( -4.876 2.926 -0.154) 5.688 7.972 ( 1.663 -0.905 0.114) 1.897 8.069 ( 0.131 -0.252 0.064) 0.291 8.712 ( -2.489 4.736 -0.001) 5.350 8.866 ( -1.410 1.714 0.024) 2.220 8.961 ( 0.006 -0.513 0.649) 0.828 8.997 ( -7.047 4.959 0.084) 8.617 9.156 ( 0.399 -0.250 -0.032) 0.472 9.231 ( 0.519 -0.831 -0.627) 1.163 10.034 ( -4.928 3.901 0.299) 6.292 10.480 ( 4.548 -4.444 -0.494) 6.378 ======================= Grid point 145 (62/171) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -6.690 4.931 -0.000) 8.311 1.398 ( -2.321 1.912 -0.000) 3.007 1.439 ( -2.309 2.405 -0.000) 3.334 1.510 ( 3.247 -4.552 0.000) 5.592 1.575 ( -1.434 8.356 -0.000) 8.478 1.716 ( 1.871 0.737 0.000) 2.011 1.938 ( -4.604 1.027 -0.000) 4.717 1.966 ( 1.194 -0.597 0.000) 1.335 2.301 ( 11.808 -10.717 0.000) 15.947 2.878 ( -22.604 1.839 -0.000) 22.678 3.278 ( 1.567 -3.236 0.000) 3.596 3.306 ( 2.608 -4.769 0.000) 5.436 3.381 ( 0.490 -3.613 0.000) 3.646 3.734 ( 18.951 7.628 0.000) 20.428 4.896 ( -1.631 -9.117 0.000) 9.262 7.605 ( 0.006 2.831 -0.000) 2.831 7.786 ( -4.647 1.582 -0.000) 4.909 7.919 ( 2.924 -2.454 0.000) 3.818 8.071 ( 0.211 1.072 -0.000) 1.092 8.774 ( 0.115 3.942 -0.000) 3.943 8.893 ( -0.300 0.978 -0.000) 1.023 8.955 ( 0.483 -0.551 0.000) 0.732 9.130 ( -4.332 2.287 -0.000) 4.898 9.148 ( 0.140 -0.084 0.000) 0.163 9.200 ( 1.033 -1.591 0.000) 1.897 10.131 ( -1.782 1.980 -0.000) 2.664 10.388 ( 1.122 -2.390 0.000) 2.640 ======================= Grid point 149 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 13.485 -1.486 4.652) 14.342 0.871 ( 13.867 -3.374 4.294) 14.903 1.371 ( 3.820 0.350 0.315) 3.849 1.498 ( -1.768 1.181 -1.662) 2.699 1.542 ( 0.511 -3.826 1.357) 4.092 1.725 ( 8.749 -0.955 2.060) 9.039 1.949 ( -0.997 4.733 -2.087) 5.268 2.040 ( -1.839 0.600 0.703) 2.058 2.180 ( 9.434 -7.205 -3.332) 12.329 2.897 ( 7.265 -0.587 -0.161) 7.290 3.141 ( -20.652 5.218 -0.071) 21.301 3.517 ( -5.881 -0.254 0.784) 5.938 3.903 ( -16.998 0.272 0.070) 17.000 4.167 ( -4.697 4.935 0.200) 6.815 5.185 ( -13.792 0.783 0.478) 13.822 7.504 ( 3.710 -0.142 -0.254) 3.721 7.594 ( 6.376 -1.549 -0.384) 6.573 7.966 ( -1.530 -0.118 0.025) 1.535 8.096 ( 0.284 0.543 0.454) 0.763 8.643 ( 5.916 0.571 -0.257) 5.949 8.796 ( 8.519 -2.586 0.304) 8.908 8.824 ( 5.255 -1.066 0.008) 5.362 8.914 ( 0.608 -0.007 2.837) 2.901 9.164 ( 0.245 0.127 0.399) 0.485 9.281 ( -0.479 -0.101 -1.976) 2.036 9.900 ( 5.122 -1.105 1.695) 5.507 10.628 ( -5.994 1.080 -1.531) 6.280 ======================= Grid point 150 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 12.813 -0.000 4.639) 13.627 0.713 ( 4.541 -0.000 10.324) 11.279 1.187 ( 17.610 -0.000 3.080) 17.877 1.515 ( 0.127 -0.000 1.370) 1.375 1.520 ( -0.479 0.000 -4.389) 4.415 1.711 ( -4.546 -0.000 3.708) 5.867 1.969 ( 5.735 0.000 -2.610) 6.301 1.973 ( -0.656 0.000 -2.419) 2.507 2.102 ( -1.793 0.000 -1.951) 2.649 2.806 ( 3.875 0.000 -0.022) 3.875 3.460 ( -15.649 -0.000 -0.371) 15.654 3.610 ( -5.020 -0.000 0.814) 5.086 4.135 ( -11.449 -0.000 0.047) 11.449 4.252 ( -3.296 -0.000 0.223) 3.304 5.414 ( -12.818 -0.000 0.399) 12.824 7.449 ( 2.756 0.000 -0.219) 2.765 7.483 ( 5.925 0.000 -0.300) 5.932 7.982 ( -0.634 0.000 -0.126) 0.646 8.098 ( 0.251 -0.000 0.558) 0.612 8.555 ( 4.888 0.000 -0.359) 4.901 8.616 ( 10.368 0.000 0.336) 10.373 8.759 ( 3.267 0.000 -0.094) 3.269 8.943 ( -1.328 -0.000 3.356) 3.610 9.162 ( 0.332 -0.000 0.316) 0.458 9.257 ( 1.442 0.000 -2.366) 2.771 9.837 ( 3.515 -0.000 1.506) 3.824 10.713 ( -5.022 0.000 -0.904) 5.102 ======================= Grid point 152 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.000 7.206 5.932) 9.333 0.742 ( -0.000 19.740 4.177) 20.177 1.034 ( 0.000 -4.068 6.050) 7.290 1.382 ( -0.000 -0.057 -5.125) 5.125 1.605 ( 0.000 4.878 3.124) 5.792 1.817 ( 0.000 -0.718 0.057) 0.721 1.923 ( -0.000 -4.751 -3.522) 5.914 1.984 ( -0.000 3.278 -3.736) 4.970 2.037 ( 0.000 -0.679 1.373) 1.532 2.765 ( -0.000 1.557 0.037) 1.557 3.608 ( 0.000 -10.548 0.270) 10.551 3.683 ( 0.000 -3.227 -0.411) 3.253 4.255 ( 0.000 -5.866 0.112) 5.867 4.294 ( 0.000 -2.419 0.020) 2.419 5.575 ( 0.000 -7.922 0.112) 7.923 7.387 ( -0.000 1.842 -0.064) 1.843 7.435 ( -0.000 3.459 -0.194) 3.464 7.989 ( -0.000 0.265 -0.161) 0.310 8.095 ( 0.000 -0.626 0.390) 0.737 8.451 ( -0.000 2.943 0.123) 2.945 8.536 ( -0.000 7.063 -0.236) 7.067 8.724 ( -0.000 2.456 -0.036) 2.456 8.996 ( 0.000 -1.988 1.298) 2.374 9.183 ( -0.000 1.950 -1.107) 2.243 9.184 ( 0.000 -0.028 0.192) 0.194 9.813 ( -0.000 1.687 0.730) 1.838 10.763 ( 0.000 -3.752 -0.297) 3.764 ======================= Grid point 153 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -3.442 11.408 2.567) 12.190 0.925 ( 3.718 -2.613 6.484) 7.918 1.096 ( -9.369 13.336 -3.523) 16.674 1.372 ( -1.944 -1.346 -2.091) 3.156 1.690 ( -2.341 4.538 2.387) 5.637 1.795 ( 2.641 0.470 0.176) 2.688 1.840 ( 1.339 -3.744 -1.240) 4.165 2.010 ( -1.155 5.589 -1.493) 5.899 2.046 ( -0.984 -1.192 -0.163) 1.554 2.800 ( -2.015 2.933 0.013) 3.559 3.418 ( 8.230 -14.842 -0.016) 16.971 3.632 ( 1.855 -4.268 -0.160) 4.656 4.136 ( 5.578 -9.475 0.037) 10.995 4.257 ( 1.699 -2.860 0.020) 3.326 5.434 ( 6.444 -10.018 0.034) 11.912 7.427 ( -2.200 2.355 -0.061) 3.223 7.489 ( -2.087 4.555 -0.106) 5.012 7.991 ( 0.052 0.369 -0.061) 0.377 8.090 ( 0.020 -0.940 0.181) 0.958 8.515 ( -3.314 3.773 0.036) 5.022 8.647 ( -4.387 8.787 -0.084) 9.822 8.763 ( -1.469 2.945 -0.011) 3.291 8.984 ( 0.421 -1.416 1.018) 1.794 9.172 ( 0.683 0.339 -0.050) 0.764 9.211 ( -1.398 0.795 -0.743) 1.772 9.852 ( -1.931 2.538 0.341) 3.207 10.697 ( 2.653 -4.766 -0.275) 5.462 ======================= Grid point 154 (67/171) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.260 1.438 -0.000) 1.461 1.046 ( -7.405 12.013 -0.000) 14.112 1.325 ( -5.941 7.007 -0.000) 9.187 1.372 ( -0.677 -1.319 0.000) 1.483 1.758 ( 2.906 1.277 0.000) 3.174 1.782 ( 1.615 -4.003 0.000) 4.317 1.783 ( -3.301 2.861 -0.000) 4.368 2.025 ( 0.729 -1.416 0.000) 1.592 2.169 ( -9.926 10.141 -0.000) 14.190 2.893 ( -4.654 5.743 -0.000) 7.391 3.088 ( 13.538 -17.032 0.000) 21.757 3.545 ( 3.381 -4.636 0.000) 5.738 3.912 ( 8.386 -13.581 0.000) 15.962 4.171 ( 6.920 -1.713 0.000) 7.129 5.211 ( 8.216 -10.444 0.000) 13.288 7.492 ( -2.575 3.049 -0.000) 3.991 7.581 ( -3.989 4.203 -0.000) 5.795 7.990 ( 0.484 0.248 0.000) 0.544 8.079 ( 0.145 -1.108 0.000) 1.117 8.615 ( -3.830 4.578 -0.000) 5.969 8.818 ( -1.926 2.549 -0.000) 3.195 8.821 ( -7.077 7.543 -0.000) 10.344 8.972 ( 0.189 -0.928 0.000) 0.947 9.165 ( 0.469 -0.051 0.000) 0.472 9.230 ( -0.688 0.124 -0.000) 0.699 9.928 ( -3.822 3.435 -0.000) 5.139 10.594 ( 4.174 -4.852 0.000) 6.400 ======================= Grid point 160 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 15.162 -2.526 0.143) 15.372 1.152 ( 12.751 -4.303 3.728) 13.964 1.385 ( 0.156 0.109 1.361) 1.374 1.462 ( 0.546 1.220 -1.720) 2.178 1.589 ( 0.548 -4.092 0.954) 4.237 1.845 ( -1.437 7.481 -1.702) 7.805 1.863 ( 2.954 -0.737 0.109) 3.046 1.996 ( -2.325 0.222 -0.224) 2.346 2.502 ( 17.490 -13.736 -0.320) 22.241 2.729 ( -22.087 8.111 0.119) 23.529 3.053 ( 11.751 -0.626 -0.219) 11.770 3.436 ( -4.951 -0.541 0.608) 5.018 3.599 ( -21.046 -0.782 0.106) 21.061 3.995 ( -6.302 13.120 0.164) 14.556 4.992 ( -10.934 -2.386 0.407) 11.199 7.563 ( 3.678 0.293 -0.215) 3.695 7.707 ( 5.684 -2.411 -0.469) 6.192 7.936 ( -2.611 -0.179 0.222) 2.627 8.093 ( 0.074 1.240 0.256) 1.269 8.725 ( 5.268 1.182 -0.107) 5.400 8.865 ( 2.294 -0.393 -0.050) 2.328 8.940 ( 0.632 0.001 1.752) 1.863 8.992 ( 8.014 -3.508 0.446) 8.759 9.167 ( 0.176 0.559 0.306) 0.661 9.251 ( -1.770 -0.044 -1.517) 2.332 10.019 ( 6.226 -1.908 1.591) 6.703 10.502 ( -6.364 1.602 -1.573) 6.749 ======================= Grid point 161 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 9.135 -0.281 4.749) 10.299 0.929 ( 13.550 -3.327 3.506) 14.387 1.363 ( 4.386 0.008 -1.799) 4.741 1.471 ( -0.466 2.980 -1.417) 3.333 1.560 ( -0.837 -5.283 1.153) 5.472 1.769 ( 6.242 -0.566 3.451) 7.155 1.919 ( -0.647 4.848 -1.957) 5.268 2.040 ( -2.478 0.590 -0.603) 2.617 2.138 ( 12.553 -7.601 -2.312) 14.856 2.895 ( 7.097 -0.710 -0.105) 7.133 3.140 ( -20.454 5.113 -0.069) 21.084 3.527 ( -5.788 0.086 0.637) 5.824 3.904 ( -16.965 0.281 0.056) 16.967 4.170 ( -4.728 4.933 0.176) 6.835 5.192 ( -13.727 0.877 0.382) 13.760 7.501 ( 3.717 -0.109 -0.201) 3.724 7.588 ( 6.298 -1.538 -0.359) 6.493 7.967 ( -1.407 -0.178 0.023) 1.419 8.102 ( 0.166 0.573 0.378) 0.706 8.639 ( 5.954 0.429 -0.210) 5.973 8.802 ( 8.129 -2.308 0.502) 8.465 8.822 ( 5.778 -1.280 -0.212) 5.922 8.953 ( -0.150 0.161 2.439) 2.449 9.169 ( 0.323 0.265 0.276) 0.501 9.252 ( -0.122 -0.231 -1.897) 1.915 9.923 ( 5.234 -1.000 1.372) 5.502 10.608 ( -6.304 1.139 -1.172) 6.513 ======================= Grid point 162 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 12.322 -0.000 2.691) 12.612 0.859 ( 0.546 -0.000 9.441) 9.457 1.175 ( 13.795 0.000 -4.490) 14.507 1.500 ( 1.716 -0.000 1.042) 2.008 1.534 ( -0.531 -0.000 1.045) 1.172 1.757 ( -1.717 -0.000 2.523) 3.052 1.930 ( 5.090 0.000 -2.626) 5.728 1.942 ( -0.379 0.000 -1.699) 1.741 2.075 ( -1.420 0.000 -1.537) 2.093 2.806 ( 3.797 0.000 -0.004) 3.797 3.455 ( -15.482 -0.000 -0.230) 15.484 3.620 ( -4.979 -0.000 0.503) 5.004 4.136 ( -11.442 -0.000 0.028) 11.442 4.254 ( -3.299 -0.000 0.145) 3.302 5.419 ( -12.754 -0.000 0.244) 12.757 7.447 ( 2.751 0.000 -0.131) 2.754 7.479 ( 5.842 0.000 -0.215) 5.846 7.981 ( -0.538 0.000 -0.076) 0.544 8.105 ( 0.182 -0.000 0.354) 0.398 8.551 ( 4.919 0.000 -0.228) 4.924 8.620 ( 10.474 0.000 0.216) 10.477 8.758 ( 3.247 0.000 -0.045) 3.247 8.982 ( -1.149 -0.000 1.993) 2.301 9.165 ( 0.387 -0.000 0.166) 0.421 9.227 ( 1.281 0.000 -1.552) 2.013 9.856 ( 3.623 -0.000 0.934) 3.742 10.703 ( -5.428 0.000 -0.515) 5.453 ======================= Grid point 164 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -0.000 7.051 0.000) 7.051 0.772 ( -0.000 21.723 0.000) 21.723 1.081 ( 0.000 -8.235 0.000) 8.235 1.342 ( 0.000 -0.169 0.000) 0.169 1.630 ( -0.000 5.643 0.000) 5.643 1.821 ( 0.000 -0.691 0.000) 0.691 1.887 ( 0.000 -3.637 0.000) 3.637 1.959 ( -0.000 2.866 0.000) 2.866 2.047 ( 0.000 -0.701 0.000) 0.701 2.765 ( -0.000 1.554 0.000) 1.554 3.610 ( 0.000 -10.684 0.000) 10.684 3.680 ( 0.000 -3.256 0.000) 3.256 4.256 ( 0.000 -5.879 0.000) 5.879 4.294 ( 0.000 -2.426 0.000) 2.426 5.576 ( 0.000 -7.975 0.000) 7.975 7.387 ( -0.000 1.846 0.000) 1.846 7.434 ( -0.000 3.424 0.000) 3.424 7.988 ( -0.000 0.268 0.000) 0.268 8.098 ( 0.000 -0.644 0.000) 0.644 8.452 ( -0.000 2.939 -0.000) 2.939 8.534 ( -0.000 7.071 0.000) 7.071 8.724 ( -0.000 2.460 0.000) 2.460 9.006 ( 0.000 -1.396 0.000) 1.396 9.175 ( -0.000 1.411 0.000) 1.411 9.186 ( 0.000 -0.036 0.000) 0.036 9.818 ( -0.000 1.610 0.000) 1.610 10.761 ( 0.000 -3.849 0.000) 3.849 ======================= Grid point 171 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 5.713 -1.195 -1.994) 6.168 1.377 ( 4.817 -0.752 2.806) 5.626 1.415 ( 1.941 -1.683 2.343) 3.477 1.487 ( 5.273 -0.949 -0.642) 5.396 1.678 ( 4.720 -0.961 0.048) 4.818 1.696 ( -3.369 8.098 -1.455) 8.891 1.910 ( 0.619 -0.729 1.201) 1.535 1.980 ( 1.110 -1.670 -0.853) 2.179 2.328 ( -16.104 6.708 -0.070) 17.446 2.919 ( 14.143 -18.611 0.108) 23.375 3.246 ( -14.076 -0.272 0.077) 14.079 3.279 ( 4.960 -0.249 -0.111) 4.967 3.388 ( -2.435 -1.535 0.392) 2.905 3.746 ( -3.310 19.429 0.099) 19.709 4.896 ( -6.603 -6.290 0.228) 9.122 7.605 ( 2.448 1.336 -0.075) 2.790 7.809 ( 4.441 -2.384 -0.393) 5.056 7.888 ( -3.674 -0.065 0.324) 3.689 8.080 ( -0.091 1.571 0.048) 1.574 8.778 ( 3.183 2.474 0.030) 4.031 8.889 ( 0.670 0.184 -0.114) 0.704 8.952 ( -0.187 0.344 0.706) 0.807 9.124 ( 3.822 -2.299 0.348) 4.474 9.163 ( -0.275 0.905 -0.169) 0.961 9.211 ( -1.411 -0.253 -0.438) 1.499 10.134 ( 3.839 -0.520 0.855) 3.968 10.395 ( -3.442 0.129 -0.710) 3.517 ======================= Grid point 172 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 12.745 -1.295 0.206) 12.812 1.202 ( 12.847 -4.285 2.811) 13.832 1.400 ( 1.592 -0.438 0.803) 1.836 1.437 ( 1.091 2.030 -1.609) 2.811 1.600 ( 0.067 -4.726 0.589) 4.763 1.822 ( -2.137 8.113 -1.256) 8.483 1.868 ( 3.058 -1.158 0.500) 3.308 1.989 ( -2.390 0.094 -0.599) 2.466 2.500 ( 18.368 -13.574 -0.038) 22.840 2.731 ( -22.028 8.200 0.059) 23.505 3.051 ( 11.626 -0.781 -0.125) 11.653 3.443 ( -4.878 -0.224 0.375) 4.898 3.600 ( -21.002 -0.762 0.066) 21.015 3.997 ( -6.339 13.105 0.107) 14.558 4.997 ( -10.921 -2.237 0.250) 11.151 7.561 ( 3.721 0.276 -0.132) 3.733 7.701 ( 5.702 -2.331 -0.309) 6.168 7.939 ( -2.529 -0.303 0.138) 2.551 8.096 ( -0.057 1.281 0.167) 1.293 8.724 ( 5.345 1.125 -0.060) 5.462 8.865 ( 2.206 -0.398 0.026) 2.241 8.963 ( -0.069 0.238 1.263) 1.287 8.997 ( 8.150 -3.534 0.216) 8.886 9.170 ( 0.194 0.765 0.126) 0.799 9.231 ( -1.371 -0.237 -1.086) 1.765 10.038 ( 6.225 -1.729 0.981) 6.535 10.483 ( -6.306 1.554 -0.955) 6.564 ======================= Grid point 173 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 5.553 0.665 2.278) 6.039 0.965 ( 13.494 -3.451 1.356) 13.994 1.331 ( 6.978 -1.181 -1.672) 7.272 1.461 ( -0.726 4.679 -0.146) 4.737 1.573 ( -1.727 -5.962 0.523) 6.230 1.809 ( 3.708 -0.339 1.671) 4.081 1.897 ( -0.204 5.214 -0.920) 5.299 2.030 ( -2.675 0.316 -0.518) 2.743 2.115 ( 14.915 -7.869 -0.819) 16.884 2.894 ( 7.001 -0.773 -0.035) 7.044 3.139 ( -20.331 5.059 -0.028) 20.951 3.534 ( -5.734 0.292 0.244) 5.747 3.904 ( -16.944 0.287 0.021) 16.946 4.171 ( -4.748 4.934 0.070) 6.848 5.196 ( -13.687 0.932 0.145) 13.719 7.499 ( 3.721 -0.087 -0.076) 3.723 7.584 ( 6.256 -1.536 -0.147) 6.443 7.967 ( -1.332 -0.213 0.010) 1.349 8.106 ( 0.092 0.589 0.147) 0.615 8.637 ( 5.987 0.351 -0.081) 5.998 8.810 ( 8.675 -2.355 0.516) 9.003 8.818 ( 5.309 -1.187 -0.397) 5.455 8.979 ( -0.532 0.254 1.022) 1.180 9.171 ( 0.365 0.353 0.093) 0.516 9.231 ( 0.086 -0.332 -0.842) 0.909 9.937 ( 5.301 -0.935 0.524) 5.409 10.596 ( -6.514 1.178 -0.434) 6.634 ======================= Grid point 174 (75/171) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 12.187 0.000 0.000) 12.187 0.949 ( -5.148 -0.000 0.000) 5.148 1.116 ( 16.975 0.000 0.000) 16.975 1.514 ( 1.554 0.000 0.000) 1.554 1.542 ( -0.826 -0.000 0.000) 0.826 1.778 ( 0.429 0.000 0.000) 0.429 1.906 ( 4.497 0.000 0.000) 4.497 1.929 ( -0.238 -0.000 0.000) 0.238 2.063 ( -1.253 -0.000 0.000) 1.253 2.806 ( 3.770 0.000 0.000) 3.770 3.454 ( -15.418 -0.000 0.000) 15.418 3.624 ( -4.963 -0.000 0.000) 4.963 4.136 ( -11.439 -0.000 0.000) 11.439 4.255 ( -3.299 -0.000 0.000) 3.299 5.421 ( -12.731 -0.000 0.000) 12.731 7.446 ( 2.749 0.000 0.000) 2.749 7.477 ( 5.806 0.000 0.000) 5.806 7.980 ( -0.502 -0.000 0.000) 0.502 8.107 ( 0.154 0.000 0.000) 0.154 8.549 ( 4.932 0.000 0.000) 4.932 8.622 ( 10.522 0.000 -0.000) 10.522 8.758 ( 3.233 0.000 0.000) 3.233 8.997 ( -0.963 -0.000 0.000) 0.963 9.167 ( 0.409 0.000 0.000) 0.409 9.216 ( 1.112 0.000 -0.000) 1.112 9.863 ( 3.664 0.000 0.000) 3.664 10.699 ( -5.577 -0.000 0.000) 5.577 ======================= Grid point 182 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -0.876 1.206 -0.003) 1.490 1.350 ( -4.405 3.472 -0.629) 5.644 1.381 ( -6.836 6.946 0.650) 9.768 1.557 ( -0.721 4.344 2.544) 5.085 1.654 ( 2.518 2.773 -0.290) 3.756 1.687 ( 3.740 -0.819 -1.723) 4.198 1.909 ( -1.483 0.419 1.130) 1.911 1.976 ( -2.268 0.143 -0.935) 2.458 2.326 ( 13.217 -10.149 0.320) 16.667 2.885 ( -22.609 1.220 0.140) 22.642 3.281 ( 2.438 -3.830 0.055) 4.540 3.307 ( 2.228 -3.748 0.040) 4.360 3.397 ( 0.816 -2.735 0.207) 2.862 3.729 ( 18.888 7.839 -0.054) 20.450 4.900 ( -1.746 -8.576 0.064) 8.752 7.610 ( 0.399 2.594 0.065) 2.626 7.809 ( -4.740 1.214 0.322) 4.903 7.899 ( 3.219 -2.015 -0.292) 3.809 8.066 ( -0.063 0.989 -0.053) 0.993 8.775 ( 0.215 3.948 0.080) 3.955 8.883 ( -0.757 0.710 -0.221) 1.061 8.936 ( -1.203 0.994 -0.018) 1.560 9.102 ( -4.388 2.369 -0.503) 5.012 9.156 ( 0.299 -0.046 0.119) 0.325 9.248 ( 2.522 -1.776 0.531) 3.129 10.110 ( -3.701 4.062 -0.385) 5.509 10.429 ( 4.126 -4.061 0.696) 5.831 ======================= Grid point 183 (77/171) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 5.563 -1.010 -0.723) 5.700 1.415 ( 2.484 -0.118 2.256) 3.358 1.436 ( 0.806 0.349 0.199) 0.901 1.476 ( 9.457 -3.813 -0.577) 10.212 1.674 ( 3.332 -2.354 -0.420) 4.101 1.682 ( -2.605 10.551 -0.422) 10.876 1.934 ( 1.434 -1.530 1.914) 2.839 1.961 ( 0.874 -1.398 -1.686) 2.358 2.327 ( -16.177 6.846 -0.040) 17.566 2.920 ( 14.169 -18.486 0.054) 23.292 3.247 ( -12.847 -0.211 0.026) 12.849 3.278 ( 3.789 -0.370 -0.037) 3.807 3.392 ( -2.390 -1.331 0.148) 2.739 3.748 ( -3.358 19.441 0.040) 19.729 4.898 ( -6.620 -6.168 0.087) 9.049 7.605 ( 2.516 1.289 -0.030) 2.828 7.805 ( 4.568 -2.323 -0.157) 5.127 7.892 ( -3.714 -0.148 0.126) 3.719 8.081 ( -0.183 1.594 0.023) 1.605 8.778 ( 3.262 2.491 0.020) 4.105 8.888 ( 0.553 0.168 -0.033) 0.578 8.959 ( -0.640 0.544 0.317) 0.898 9.127 ( 3.658 -2.224 0.104) 4.282 9.159 ( -0.890 1.009 -0.170) 1.356 9.207 ( -0.256 -0.445 -0.104) 0.524 10.142 ( 3.298 -0.036 0.296) 3.311 10.388 ( -2.715 -0.297 -0.238) 2.742 ======================= Grid point 184 (78/171) ======================= q-point: (-0.60 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 11.720 -0.821 0.000) 11.749 1.224 ( 13.143 -4.515 0.000) 13.897 1.407 ( 2.332 -1.188 0.000) 2.617 1.423 ( 1.045 3.047 -0.000) 3.221 1.604 ( -0.250 -4.968 0.000) 4.974 1.812 ( -2.072 8.313 -0.000) 8.568 1.873 ( 2.895 -1.256 0.000) 3.156 1.983 ( -2.454 0.047 -0.000) 2.454 2.500 ( 18.647 -13.497 0.000) 23.019 2.731 ( -22.007 8.238 -0.000) 23.499 3.050 ( 11.579 -0.836 0.000) 11.609 3.446 ( -4.850 -0.101 -0.000) 4.851 3.601 ( -20.985 -0.755 -0.000) 20.998 3.998 ( -6.353 13.099 -0.000) 14.559 4.999 ( -10.916 -2.181 -0.000) 11.132 7.560 ( 3.737 0.270 0.000) 3.747 7.699 ( 5.709 -2.303 0.000) 6.156 7.940 ( -2.497 -0.349 -0.000) 2.522 8.098 ( -0.106 1.296 -0.000) 1.300 8.724 ( 5.380 1.105 0.000) 5.492 8.865 ( 2.168 -0.390 0.000) 2.203 8.973 ( -0.391 0.346 -0.000) 0.522 8.998 ( 8.237 -3.560 0.000) 8.974 9.170 ( 0.169 0.842 -0.000) 0.859 9.223 ( -1.157 -0.323 -0.000) 1.202 10.046 ( 6.222 -1.659 0.000) 6.440 10.476 ( -6.286 1.535 -0.000) 6.471 ======================= Grid point 193 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -14.969 13.629 0.903) 20.264 1.107 ( -10.758 11.076 -0.837) 15.463 1.344 ( 2.064 -0.752 -0.664) 2.295 1.558 ( 0.845 1.510 2.450) 2.999 1.611 ( 2.088 3.114 -2.702) 4.621 1.804 ( 0.273 0.014 0.770) 0.817 1.873 ( 0.173 0.725 0.469) 0.881 1.962 ( -0.579 -1.520 -0.622) 1.742 2.534 ( -16.220 4.845 0.396) 16.932 2.710 ( 16.966 -14.689 0.147) 22.442 3.069 ( -6.714 10.846 0.064) 12.756 3.464 ( 3.408 -3.473 0.090) 4.867 3.622 ( 9.305 -16.996 -0.009) 19.376 3.987 ( 15.544 1.264 -0.021) 15.595 5.006 ( 4.292 -9.619 -0.010) 10.533 7.572 ( -1.542 3.276 0.085) 3.622 7.708 ( -5.389 2.871 0.135) 6.108 7.956 ( 2.248 -0.988 -0.106) 2.458 8.060 ( -0.072 -0.032 -0.060) 0.099 8.714 ( -2.544 4.711 0.040) 5.355 8.852 ( -1.604 1.184 -0.223) 2.006 8.897 ( -1.935 1.692 -0.260) 2.583 8.982 ( -5.993 4.929 -0.122) 7.760 9.160 ( 0.320 0.106 0.023) 0.338 9.298 ( 1.388 -1.280 0.369) 1.924 9.992 ( -4.481 5.077 -0.294) 6.778 10.553 ( 4.807 -4.632 0.534) 6.697 ======================= Grid point 194 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 1.684 -0.296 0.000) 1.710 1.342 ( -7.828 6.078 -0.000) 9.911 1.390 ( -6.223 5.872 -0.000) 8.556 1.588 ( 2.017 5.297 -0.000) 5.668 1.632 ( -5.205 4.511 -0.000) 6.887 1.682 ( 9.281 -3.218 0.000) 9.823 1.920 ( -1.992 0.598 -0.000) 2.080 1.966 ( -2.012 0.062 -0.000) 2.013 2.329 ( 13.377 -10.071 0.000) 16.745 2.886 ( -22.590 1.132 -0.000) 22.618 3.282 ( 2.556 -3.955 0.000) 4.709 3.307 ( 2.161 -3.568 0.000) 4.172 3.399 ( 0.846 -2.650 0.000) 2.782 3.729 ( 18.877 7.863 0.000) 20.449 4.901 ( -1.758 -8.518 0.000) 8.698 7.610 ( 0.440 2.568 -0.000) 2.606 7.811 ( -4.749 1.176 -0.000) 4.892 7.897 ( 3.253 -1.977 0.000) 3.807 8.065 ( -0.094 0.991 -0.000) 0.996 8.776 ( 0.242 3.983 -0.000) 3.991 8.881 ( -0.846 0.702 -0.000) 1.100 8.936 ( -1.393 1.089 -0.000) 1.768 9.098 ( -4.277 2.348 -0.000) 4.879 9.156 ( 0.290 -0.006 0.000) 0.290 9.252 ( 2.616 -1.782 0.000) 3.165 10.107 ( -3.812 4.227 -0.000) 5.692 10.434 ( 4.355 -4.187 0.000) 6.041 ======================= Grid point 203 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -12.676 15.323 -0.000) 19.886 0.816 ( -11.253 12.238 -0.000) 16.625 1.387 ( 1.633 -1.883 0.000) 2.492 1.486 ( -9.586 16.097 -0.000) 18.735 1.590 ( 3.725 1.232 0.000) 3.923 1.742 ( -0.589 -0.318 -0.000) 0.669 1.916 ( 0.445 -1.564 0.000) 1.626 1.953 ( -2.305 -1.435 -0.000) 2.715 2.340 ( -3.304 2.932 -0.000) 4.417 2.897 ( -4.539 6.405 -0.000) 7.850 3.105 ( 13.693 -15.484 0.000) 20.670 3.561 ( 4.174 -3.545 0.000) 5.476 3.909 ( 8.350 -13.439 0.000) 15.822 4.169 ( 7.126 -1.467 0.000) 7.275 5.207 ( 8.490 -9.873 0.000) 13.021 7.507 ( -2.789 2.962 -0.000) 4.068 7.594 ( -4.348 4.394 -0.000) 6.182 7.988 ( 1.191 -0.129 0.000) 1.198 8.061 ( -0.182 -0.618 0.000) 0.644 8.615 ( -4.112 4.459 -0.000) 6.066 8.810 ( -1.775 1.774 -0.000) 2.509 8.822 ( -6.082 7.754 -0.000) 9.855 8.845 ( -1.992 2.033 -0.000) 2.846 9.164 ( 0.319 0.252 -0.000) 0.406 9.324 ( 0.563 -0.770 0.000) 0.954 9.881 ( -3.239 4.660 -0.000) 5.675 10.666 ( 3.610 -4.226 0.000) 5.559 ======================= Grid point 213 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -0.000 18.189 -0.000) 18.189 0.578 ( -0.000 15.141 -0.000) 15.141 1.262 ( -0.000 28.859 -0.000) 28.859 1.405 ( 0.000 -1.640 0.000) 1.640 1.732 ( 0.000 -2.188 0.000) 2.188 1.741 ( 0.000 -1.173 0.000) 1.173 1.844 ( -0.000 0.136 -0.000) 0.136 1.896 ( 0.000 -0.706 0.000) 0.706 2.378 ( -0.000 1.571 -0.000) 1.571 2.812 ( -0.000 3.919 -0.000) 3.919 3.334 ( 0.000 -16.894 0.000) 16.894 3.637 ( 0.000 -4.777 0.000) 4.777 4.092 ( 0.000 -10.415 0.000) 10.415 4.216 ( 0.000 -6.278 0.000) 6.278 5.388 ( 0.000 -10.833 0.000) 10.833 7.437 ( -0.000 2.847 -0.000) 2.847 7.535 ( -0.000 6.010 -0.000) 6.010 8.006 ( -0.000 0.312 -0.000) 0.312 8.056 ( 0.000 -0.788 0.000) 0.788 8.518 ( -0.000 4.762 -0.000) 4.762 8.728 ( -0.000 10.695 -0.000) 10.695 8.778 ( -0.000 2.645 -0.000) 2.645 8.810 ( -0.000 2.333 -0.000) 2.333 9.171 ( 0.000 -0.038 0.000) 0.038 9.331 ( 0.000 -0.436 0.000) 0.436 9.830 ( -0.000 4.752 -0.000) 4.752 10.724 ( 0.000 -4.554 0.000) 4.554 ======================= Grid point 214 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -5.377 18.966 0.689) 19.726 0.790 ( -7.411 13.974 1.577) 15.896 1.387 ( 0.361 -0.635 -0.289) 0.786 1.553 ( -4.112 19.060 1.361) 19.546 1.667 ( 4.232 -0.189 -1.156) 4.391 1.715 ( -0.604 -2.215 -0.468) 2.343 1.891 ( -1.252 -1.277 -0.284) 1.810 1.897 ( -2.957 -1.094 1.421) 3.458 2.376 ( 2.644 5.787 -1.455) 6.527 2.891 ( -3.917 6.643 -0.064) 7.712 3.106 ( 6.702 -18.994 -0.206) 20.142 3.571 ( 2.248 -4.972 -0.236) 5.461 3.909 ( 7.701 -13.786 0.016) 15.791 4.174 ( -1.753 -6.410 -0.029) 6.645 5.230 ( 6.476 -10.836 -0.061) 12.624 7.487 ( -2.637 2.977 -0.043) 3.978 7.604 ( -1.084 6.259 -0.052) 6.352 8.002 ( 0.738 -0.023 -0.037) 0.740 8.052 ( -0.344 -0.715 0.119) 0.802 8.596 ( -3.559 4.974 0.028) 6.116 8.809 ( -0.796 2.047 0.448) 2.241 8.841 ( -1.619 6.535 -0.393) 6.744 8.849 ( -1.280 6.239 0.768) 6.415 9.169 ( 0.169 -0.045 0.053) 0.183 9.321 ( 0.296 -0.787 -0.631) 1.051 9.893 ( -1.564 5.735 0.166) 5.946 10.661 ( 1.748 -5.345 -0.525) 5.648 ======================= Grid point 215 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -8.907 16.242 -0.994) 18.551 1.069 ( -9.175 13.087 2.124) 16.123 1.371 ( 1.180 -0.375 0.908) 1.536 1.579 ( 2.561 0.634 -2.904) 3.923 1.687 ( 1.390 1.071 2.139) 2.767 1.779 ( -3.613 4.905 -0.809) 6.145 1.880 ( -0.040 -1.033 -1.397) 1.738 1.935 ( -1.717 -1.955 1.496) 3.001 2.429 ( -2.750 8.846 -0.782) 9.296 2.779 ( 11.070 -18.435 -0.683) 21.514 3.064 ( -7.062 11.357 -0.230) 13.375 3.475 ( 3.283 -4.927 -0.380) 5.933 3.616 ( 10.070 -17.020 -0.004) 19.776 4.131 ( 2.035 -2.929 -0.059) 3.567 4.998 ( 8.395 -11.608 -0.068) 14.326 7.567 ( -3.359 3.237 -0.134) 4.667 7.680 ( -1.880 4.807 -0.155) 5.164 7.978 ( 1.697 -1.163 0.066) 2.058 8.057 ( -0.575 0.124 0.119) 0.600 8.710 ( -4.219 5.189 -0.021) 6.688 8.846 ( -1.140 1.533 0.603) 2.003 8.891 ( -1.388 2.093 0.487) 2.558 8.966 ( -2.756 7.277 -0.053) 7.782 9.165 ( 0.274 -0.081 -0.010) 0.286 9.297 ( 0.745 -1.367 -0.867) 1.781 9.987 ( -2.940 6.094 0.267) 6.771 10.563 ( 3.204 -5.716 -1.009) 6.630 ======================= Grid point 216 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -6.174 7.180 -1.327) 9.562 1.339 ( -7.625 10.718 -0.222) 13.155 1.364 ( 0.622 0.519 2.343) 2.479 1.554 ( -0.546 2.746 -2.875) 4.013 1.714 ( -0.549 4.586 1.322) 4.805 1.766 ( 4.377 -0.583 -1.087) 4.548 1.889 ( -1.428 0.842 -0.905) 1.889 1.946 ( -1.265 -1.341 0.986) 2.090 2.417 ( 12.421 -15.183 -1.124) 19.648 2.616 ( -11.928 4.795 -0.034) 12.856 3.274 ( 6.022 -11.238 -0.092) 12.750 3.314 ( -3.031 6.120 -0.205) 6.832 3.382 ( 2.066 -4.343 -0.474) 4.833 4.042 ( 9.937 4.789 -0.040) 11.031 4.779 ( 2.484 -13.934 -0.109) 14.154 7.640 ( -1.268 3.767 -0.137) 3.977 7.750 ( -3.122 2.052 -0.268) 3.746 7.927 ( 2.624 -2.320 0.153) 3.506 8.073 ( -0.524 1.064 0.148) 1.195 8.811 ( -1.863 5.175 -0.157) 5.503 8.880 ( -0.962 1.068 0.553) 1.540 8.931 ( -1.067 1.304 0.307) 1.713 9.066 ( -3.245 3.610 0.265) 4.862 9.159 ( 0.327 -0.124 -0.150) 0.380 9.258 ( 1.502 -1.889 -0.974) 2.603 10.099 ( -3.559 5.537 0.372) 6.592 10.442 ( 3.910 -5.514 -1.220) 6.869 ======================= Grid point 217 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.582 0.568 0.750) 1.106 1.377 ( -0.108 0.873 -0.549) 1.037 1.444 ( 1.758 0.130 -0.941) 1.998 1.554 ( 3.153 1.124 -2.335) 4.081 1.744 ( 1.392 4.356 1.230) 4.736 1.770 ( 1.659 5.763 -1.179) 6.112 1.904 ( -0.272 0.761 0.053) 0.810 1.981 ( -0.638 -0.842 -0.194) 1.074 2.177 ( -3.454 -4.034 -0.254) 5.317 2.856 ( -9.785 -6.027 -0.026) 11.492 2.986 ( 1.452 -9.495 -0.215) 9.608 3.332 ( -0.938 -2.996 -0.651) 3.206 3.445 ( 3.660 4.203 0.013) 5.573 3.962 ( 8.654 15.547 -0.014) 17.794 4.683 ( -7.214 -13.451 -0.322) 15.267 7.666 ( 2.083 3.113 0.048) 3.746 7.817 ( -3.715 0.319 -0.324) 3.742 7.856 ( 3.028 -2.714 0.188) 4.071 8.093 ( -0.249 1.337 0.127) 1.366 8.854 ( 1.867 3.950 -0.186) 4.373 8.901 ( -0.013 0.597 0.423) 0.732 8.950 ( -0.086 0.641 -0.285) 0.707 9.143 ( -0.833 0.266 0.217) 0.901 9.148 ( -1.292 0.129 0.360) 1.347 9.204 ( 1.709 -1.485 -1.012) 2.479 10.179 ( 0.992 2.829 -0.473) 3.035 10.349 ( -0.622 -3.162 -0.124) 3.225 ======================= Grid point 218 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 8.556 -0.585 1.599) 8.724 1.292 ( 10.695 -1.797 -3.363) 11.355 1.372 ( 0.363 0.117 -1.519) 1.566 1.520 ( 3.453 2.632 0.032) 4.342 1.589 ( 6.490 -4.332 -1.344) 7.918 1.869 ( -2.205 2.998 0.782) 3.803 1.924 ( 0.666 4.043 1.225) 4.277 1.964 ( -1.083 -0.592 -0.197) 1.250 2.433 ( -20.811 3.393 -0.214) 21.087 2.620 ( 12.486 -10.388 -0.336) 16.246 3.239 ( -21.343 -0.169 -0.180) 21.345 3.284 ( 14.669 0.145 0.329) 14.673 3.347 ( -3.934 -1.290 -0.837) 4.224 4.048 ( -0.614 10.575 -0.058) 10.593 4.752 ( -13.103 -6.242 -0.549) 14.524 7.637 ( 4.105 1.322 0.231) 4.319 7.770 ( 4.269 -1.765 0.224) 4.625 7.883 ( -3.651 -0.024 -0.220) 3.657 8.104 ( 0.155 0.797 -0.048) 0.813 8.826 ( 4.815 1.948 0.037) 5.194 8.896 ( 1.390 0.097 0.296) 1.424 8.942 ( 0.804 0.081 -1.053) 1.327 9.073 ( 5.543 -1.738 -0.592) 5.839 9.172 ( 0.331 0.335 -0.669) 0.818 9.220 ( -3.232 -0.078 1.211) 3.452 10.098 ( 6.590 -0.687 -1.731) 6.848 10.419 ( -6.459 0.386 1.473) 6.636 ======================= Grid point 219 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 18.508 0.000 -0.927) 18.531 1.051 ( 13.824 0.000 -3.783) 14.332 1.370 ( -1.439 0.000 -1.370) 1.987 1.500 ( -0.287 -0.000 0.349) 0.452 1.531 ( 1.218 -0.000 0.279) 1.249 1.853 ( 5.902 0.000 0.395) 5.915 1.975 ( -0.957 -0.000 1.556) 1.827 1.993 ( -3.054 0.000 -0.587) 3.109 2.346 ( 14.013 0.000 0.512) 14.022 2.809 ( -23.149 -0.000 -0.149) 23.149 3.055 ( 12.595 0.000 0.408) 12.602 3.414 ( -5.667 0.000 -0.897) 5.738 3.590 ( -21.478 -0.000 -0.124) 21.478 4.129 ( -3.285 -0.000 -0.116) 3.287 4.950 ( -14.677 -0.000 -0.558) 14.688 7.573 ( 4.473 0.000 0.246) 4.479 7.686 ( 5.534 0.000 0.337) 5.544 7.932 ( -2.647 -0.000 -0.116) 2.650 8.102 ( 0.411 0.000 -0.268) 0.491 8.747 ( 6.058 0.000 0.233) 6.062 8.863 ( 2.905 -0.000 0.267) 2.918 8.914 ( 1.400 0.000 -1.754) 2.245 8.944 ( 8.575 0.000 -0.622) 8.597 9.165 ( 0.200 0.000 -0.572) 0.605 9.273 ( -2.084 -0.000 1.418) 2.521 9.975 ( 6.386 0.000 -1.728) 6.616 10.542 ( -6.745 -0.000 1.639) 6.941 ======================= Grid point 224 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -0.000 15.760 4.881) 16.499 0.606 ( -0.000 14.436 3.783) 14.924 1.255 ( -0.000 24.796 -0.789) 24.808 1.442 ( 0.000 1.149 4.580) 4.722 1.678 ( -0.000 -1.240 -5.978) 6.106 1.757 ( 0.000 -1.628 1.979) 2.562 1.885 ( 0.000 -0.761 4.064) 4.135 1.891 ( -0.000 -1.109 -0.708) 1.316 2.343 ( -0.000 2.709 -4.577) 5.319 2.813 ( -0.000 3.925 0.039) 3.925 3.334 ( 0.000 -17.123 -0.048) 17.123 3.633 ( 0.000 -4.821 -0.504) 4.848 4.092 ( 0.000 -10.430 0.075) 10.430 4.215 ( 0.000 -6.293 -0.047) 6.293 5.387 ( 0.000 -10.903 -0.097) 10.903 7.437 ( -0.000 2.854 -0.050) 2.855 7.535 ( -0.000 5.957 -0.055) 5.957 8.005 ( -0.000 0.319 -0.153) 0.354 8.059 ( 0.000 -0.820 0.320) 0.881 8.519 ( -0.000 4.757 0.116) 4.759 8.725 ( -0.000 10.589 -0.364) 10.596 8.782 ( -0.000 2.987 0.234) 2.996 8.828 ( 0.000 1.298 2.464) 2.785 9.172 ( 0.000 -0.050 0.167) 0.175 9.318 ( -0.000 -0.011 -1.709) 1.709 9.833 ( -0.000 4.626 0.444) 4.647 10.717 ( 0.000 -4.631 -0.877) 4.713 ======================= Grid point 225 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -4.004 16.549 2.425) 17.198 0.832 ( -6.971 13.411 4.095) 15.660 1.380 ( -0.470 2.535 -0.743) 2.683 1.583 ( -0.483 8.236 1.147) 8.329 1.625 ( -1.968 4.789 -2.933) 5.951 1.727 ( 2.164 -0.827 1.978) 3.046 1.877 ( -0.494 -1.370 -1.540) 2.119 1.932 ( -2.718 -2.045 2.710) 4.349 2.337 ( 1.795 7.549 -3.622) 8.563 2.889 ( -3.737 6.601 -0.123) 7.586 3.100 ( 6.764 -19.389 -0.565) 20.542 3.564 ( 2.092 -5.100 -0.634) 5.549 3.910 ( 7.720 -13.825 0.041) 15.834 4.173 ( -1.782 -6.469 -0.069) 6.710 5.229 ( 6.379 -10.947 -0.149) 12.671 7.486 ( -2.568 3.002 -0.115) 3.953 7.602 ( -1.063 6.220 -0.171) 6.313 8.001 ( 0.630 0.020 -0.097) 0.638 8.055 ( -0.284 -0.822 0.310) 0.923 8.597 ( -3.481 4.992 0.088) 6.087 8.817 ( -0.805 2.565 0.386) 2.716 8.837 ( -2.077 8.569 -0.081) 8.817 8.867 ( -0.710 2.893 1.755) 3.457 9.171 ( 0.251 -0.060 0.132) 0.290 9.304 ( 0.077 -0.503 -1.694) 1.769 9.897 ( -1.638 5.471 0.439) 5.728 10.647 ( 1.782 -5.413 -1.315) 5.849 ======================= Grid point 226 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -7.417 15.295 -0.782) 17.016 1.108 ( -8.285 12.100 3.242) 15.019 1.389 ( 0.519 0.372 1.375) 1.516 1.532 ( 1.687 0.379 -3.629) 4.020 1.704 ( 0.495 -0.305 0.118) 0.593 1.780 ( -1.902 4.702 1.251) 5.224 1.853 ( -0.114 -0.901 -2.346) 2.516 1.957 ( -1.301 -2.400 1.436) 3.085 2.415 ( -3.628 10.211 -1.045) 10.887 2.765 ( 10.974 -18.971 -1.126) 21.946 3.060 ( -7.043 11.294 -0.330) 13.314 3.467 ( 3.125 -5.086 -0.642) 6.004 3.616 ( 10.064 -17.073 -0.005) 19.818 4.130 ( 1.968 -3.035 -0.086) 3.619 4.996 ( 8.302 -11.696 -0.105) 14.343 7.564 ( -3.292 3.304 -0.221) 4.669 7.677 ( -1.812 4.847 -0.275) 5.182 7.979 ( 1.563 -1.200 0.125) 1.974 8.059 ( -0.563 0.050 0.187) 0.595 8.710 ( -4.106 5.217 0.015) 6.639 8.856 ( -1.027 1.721 0.612) 2.095 8.903 ( -1.262 1.348 1.193) 2.198 8.965 ( -2.978 7.164 -0.113) 7.759 9.165 ( 0.391 -0.103 -0.031) 0.406 9.280 ( 0.509 -1.234 -1.525) 2.027 9.993 ( -3.129 5.756 0.441) 6.566 10.543 ( 3.209 -5.666 -1.598) 6.704 ======================= Grid point 227 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -6.260 8.447 -2.153) 10.731 1.335 ( -4.720 7.903 0.314) 9.210 1.407 ( -0.717 1.237 3.071) 3.388 1.521 ( -1.086 2.385 -1.754) 3.153 1.694 ( 1.067 2.658 -2.755) 3.974 1.774 ( 2.662 1.426 0.939) 3.162 1.876 ( -2.594 0.876 -0.632) 2.810 1.958 ( -0.753 -1.525 0.636) 1.816 2.398 ( 12.017 -15.728 -1.383) 19.842 2.615 ( -11.916 5.057 0.001) 12.945 3.272 ( 5.514 -10.322 -0.117) 11.703 3.311 ( -2.625 5.162 -0.207) 5.794 3.373 ( 1.977 -4.459 -0.625) 4.917 4.042 ( 9.783 4.648 -0.042) 10.831 4.777 ( 2.551 -13.998 -0.130) 14.229 7.637 ( -1.347 3.868 -0.180) 4.099 7.746 ( -2.992 2.218 -0.350) 3.741 7.930 ( 2.494 -2.542 0.200) 3.567 8.076 ( -0.516 1.091 0.202) 1.224 8.810 ( -1.768 5.127 -0.041) 5.423 8.889 ( -0.781 1.179 0.575) 1.527 8.936 ( -0.737 0.820 0.458) 1.194 9.071 ( -3.763 3.566 0.325) 5.194 9.156 ( 0.412 -0.158 -0.186) 0.479 9.240 ( 1.332 -1.851 -1.366) 2.659 10.105 ( -3.665 5.194 0.449) 6.373 10.422 ( 3.650 -5.313 -1.468) 6.611 ======================= Grid point 228 (93/171) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -1.099 1.133 -1.685) 2.309 1.392 ( 1.458 1.193 1.976) 2.731 1.433 ( 4.477 -1.947 -0.439) 4.902 1.521 ( 0.377 2.579 -2.179) 3.397 1.743 ( 5.141 0.161 -2.103) 5.557 1.762 ( -2.310 8.687 1.047) 9.049 1.913 ( -0.174 0.758 0.897) 1.187 1.973 ( -0.370 -1.427 -0.892) 1.723 2.174 ( -4.592 -3.386 -0.211) 5.709 2.855 ( -9.729 -6.036 0.006) 11.449 2.983 ( 1.633 -9.561 -0.205) 9.702 3.322 ( -0.917 -3.142 -0.657) 3.338 3.445 ( 3.366 4.295 0.011) 5.457 3.962 ( 8.680 15.507 -0.003) 17.772 4.679 ( -7.092 -13.627 -0.320) 15.365 7.667 ( 1.968 3.292 0.036) 3.836 7.812 ( -3.703 0.471 -0.333) 3.747 7.859 ( 2.887 -2.987 0.165) 4.158 8.095 ( -0.117 1.359 0.168) 1.375 8.853 ( 1.821 3.917 0.040) 4.319 8.907 ( 0.199 0.716 0.413) 0.850 8.945 ( 0.318 0.254 -0.271) 0.489 9.141 ( 1.282 -0.697 -0.305) 1.490 9.158 ( -3.184 1.134 0.726) 3.457 9.188 ( 0.968 -1.522 -1.103) 2.114 10.170 ( 2.301 1.789 -0.724) 3.003 10.349 ( -2.339 -2.172 0.143) 3.195 ======================= Grid point 229 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 11.616 -2.203 -2.592) 12.104 1.297 ( 5.430 -0.664 0.328) 5.481 1.364 ( 5.867 0.090 0.716) 5.911 1.510 ( 3.126 1.609 -1.309) 3.752 1.571 ( 3.495 -3.185 -1.006) 4.835 1.885 ( -2.062 2.565 1.378) 3.568 1.941 ( 0.125 4.447 1.023) 4.565 1.955 ( -1.208 -0.501 -1.015) 1.655 2.430 ( -20.701 3.308 -0.197) 20.965 2.617 ( 12.438 -10.582 -0.171) 16.331 3.237 ( -21.469 -0.194 -0.147) 21.470 3.289 ( 14.586 0.204 0.291) 14.591 3.335 ( -3.873 -1.432 -0.688) 4.186 4.048 ( -0.527 10.658 -0.035) 10.671 4.745 ( -13.086 -6.407 -0.448) 14.577 7.640 ( 4.085 1.435 0.190) 4.334 7.773 ( 4.031 -1.924 0.137) 4.468 7.880 ( -3.668 0.057 -0.175) 3.673 8.104 ( 0.372 0.794 -0.010) 0.877 8.828 ( 4.736 1.997 0.152) 5.142 8.901 ( 1.522 0.230 0.340) 1.577 8.928 ( 1.311 -0.173 -0.779) 1.535 9.064 ( 5.608 -1.757 -0.631) 5.910 9.162 ( 0.136 0.125 -0.610) 0.637 9.236 ( -3.506 0.106 0.894) 3.620 10.075 ( 6.707 -0.855 -1.402) 6.905 10.439 ( -6.827 0.516 1.205) 6.952 ======================= Grid point 230 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 14.141 0.000 -2.274) 14.323 1.031 ( 20.666 0.000 -0.530) 20.673 1.353 ( -2.314 0.000 -0.872) 2.472 1.504 ( -0.377 -0.000 0.126) 0.397 1.533 ( 1.559 0.000 0.089) 1.562 1.861 ( 6.615 -0.000 0.693) 6.652 1.979 ( -2.501 0.000 -1.056) 2.714 1.993 ( -1.205 -0.000 0.937) 1.526 2.355 ( 12.300 0.000 0.547) 12.312 2.807 ( -23.321 -0.000 -0.097) 23.321 3.061 ( 12.656 0.000 0.280) 12.659 3.403 ( -5.663 0.000 -0.557) 5.690 3.588 ( -21.527 -0.000 -0.077) 21.527 4.128 ( -3.224 -0.000 -0.061) 3.225 4.944 ( -14.714 -0.000 -0.349) 14.718 7.576 ( 4.485 0.000 0.156) 4.488 7.690 ( 5.461 0.000 0.181) 5.464 7.931 ( -2.719 -0.000 -0.070) 2.720 8.099 ( 0.576 0.000 -0.160) 0.598 8.750 ( 5.999 0.000 0.185) 6.002 8.868 ( 2.924 -0.000 0.344) 2.944 8.893 ( 2.054 0.000 -1.056) 2.309 8.935 ( 8.552 0.000 -0.538) 8.569 9.158 ( 0.100 0.000 -0.385) 0.398 9.289 ( -2.290 -0.000 0.776) 2.417 9.954 ( 6.363 0.000 -1.067) 6.452 10.562 ( -6.774 -0.000 1.032) 6.852 ======================= Grid point 231 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 14.300 0.000 -0.000) 14.300 1.027 ( 21.430 0.000 -0.000) 21.430 1.346 ( -2.735 -0.000 0.000) 2.735 1.505 ( -0.083 -0.000 0.000) 0.083 1.534 ( 1.654 0.000 -0.000) 1.654 1.867 ( 6.709 0.000 -0.000) 6.709 1.970 ( -2.233 -0.000 0.000) 2.233 2.000 ( -1.285 -0.000 0.000) 1.285 2.359 ( 11.595 0.000 -0.000) 11.595 2.806 ( -23.389 -0.000 0.000) 23.389 3.063 ( 12.674 0.000 -0.000) 12.674 3.399 ( -5.661 -0.000 0.000) 5.661 3.588 ( -21.546 -0.000 0.000) 21.546 4.127 ( -3.202 -0.000 0.000) 3.202 4.941 ( -14.728 -0.000 0.000) 14.728 7.577 ( 4.490 0.000 -0.000) 4.490 7.691 ( 5.435 0.000 -0.000) 5.435 7.930 ( -2.747 -0.000 0.000) 2.747 8.098 ( 0.643 0.000 -0.000) 0.643 8.751 ( 5.989 0.000 -0.000) 5.989 8.871 ( 2.867 0.000 -0.000) 2.867 8.885 ( 2.303 0.000 -0.000) 2.303 8.931 ( 8.605 0.000 -0.000) 8.605 9.155 ( 0.063 0.000 -0.000) 0.063 9.294 ( -2.361 -0.000 0.000) 2.361 9.946 ( 6.355 0.000 -0.000) 6.355 10.570 ( -6.793 -0.000 0.000) 6.793 ======================= Grid point 235 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 0.000 10.502 8.104) 13.266 0.681 ( -0.000 12.891 6.323) 14.358 1.242 ( -0.000 19.537 -0.964) 19.561 1.523 ( 0.000 3.710 6.171) 7.200 1.581 ( -0.000 -0.470 -7.181) 7.196 1.789 ( 0.000 -1.811 2.206) 2.855 1.876 ( 0.000 -2.402 -1.365) 2.763 1.941 ( 0.000 -1.408 3.565) 3.833 2.258 ( -0.000 5.150 -6.720) 8.467 2.813 ( -0.000 3.941 0.063) 3.942 3.332 ( 0.000 -17.684 -0.168) 17.685 3.623 ( 0.000 -4.938 -0.817) 5.005 4.094 ( 0.000 -10.468 0.121) 10.469 4.215 ( 0.000 -6.351 -0.060) 6.351 5.386 ( 0.000 -11.093 -0.123) 11.093 7.436 ( -0.000 2.872 -0.081) 2.873 7.533 ( -0.000 5.896 -0.205) 5.900 8.002 ( -0.000 0.339 -0.245) 0.418 8.065 ( 0.000 -0.905 0.507) 1.037 8.521 ( -0.000 4.744 0.185) 4.747 8.719 ( -0.000 10.477 -0.425) 10.486 8.783 ( -0.000 3.372 0.041) 3.373 8.874 ( 0.000 -0.346 3.557) 3.574 9.176 ( 0.000 -0.081 0.270) 0.282 9.286 ( -0.000 0.748 -2.625) 2.729 9.842 ( -0.000 4.291 0.730) 4.352 10.701 ( 0.000 -4.921 -1.247) 5.076 ======================= Grid point 236 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -1.903 12.637 4.035) 13.402 0.904 ( -6.214 12.249 5.585) 14.827 1.366 ( -1.333 5.299 -1.064) 5.567 1.523 ( 0.564 -0.579 -6.324) 6.375 1.653 ( -3.061 7.841 3.689) 9.191 1.760 ( 2.208 -0.529 2.274) 3.213 1.849 ( -0.097 -1.188 -2.159) 2.466 1.968 ( -1.894 -2.632 2.117) 3.872 2.280 ( 0.487 10.346 -4.007) 11.106 2.888 ( -3.501 6.530 -0.087) 7.410 3.091 ( 6.839 -20.040 -0.754) 21.188 3.554 ( 1.865 -5.292 -0.812) 5.669 3.910 ( 7.750 -13.888 0.050) 15.904 4.172 ( -1.834 -6.575 -0.074) 6.826 5.226 ( 6.241 -11.124 -0.166) 12.756 7.484 ( -2.454 3.045 -0.144) 3.913 7.599 ( -1.045 6.198 -0.271) 6.292 8.000 ( 0.452 0.092 -0.120) 0.476 8.060 ( -0.191 -0.992 0.384) 1.081 8.598 ( -3.383 5.011 0.129) 6.048 8.819 ( -1.149 3.567 0.036) 3.748 8.836 ( -2.010 8.934 -0.146) 9.158 8.899 ( -0.334 0.511 2.570) 2.642 9.173 ( 0.398 -0.078 0.141) 0.430 9.275 ( -0.250 -0.141 -2.228) 2.246 9.905 ( -1.757 5.043 0.552) 5.369 10.626 ( 1.859 -5.587 -1.524) 6.082 ======================= Grid point 237 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -5.334 13.505 -0.441) 14.527 1.163 ( -7.208 10.752 4.292) 13.638 1.408 ( -0.547 2.001 1.195) 2.394 1.474 ( 0.208 0.913 -4.344) 4.444 1.701 ( 0.692 -1.872 -0.297) 2.018 1.806 ( -1.025 3.394 1.839) 3.994 1.814 ( 0.115 -0.695 -2.765) 2.853 1.974 ( -0.910 -2.767 0.871) 3.040 2.402 ( -4.586 11.697 -0.727) 12.585 2.748 ( 10.859 -19.678 -1.163) 22.506 3.056 ( -7.013 11.199 -0.284) 13.216 3.458 ( 2.931 -5.262 -0.674) 6.061 3.616 ( 10.058 -17.138 -0.005) 19.872 4.129 ( 1.884 -3.174 -0.076) 3.692 4.995 ( 8.195 -11.798 -0.098) 14.365 7.561 ( -3.205 3.389 -0.225) 4.670 7.673 ( -1.739 4.898 -0.304) 5.206 7.981 ( 1.395 -1.228 0.148) 1.865 8.062 ( -0.550 -0.044 0.183) 0.581 8.711 ( -4.003 5.266 0.068) 6.615 8.862 ( -1.063 2.074 0.276) 2.347 8.924 ( -0.859 0.372 1.642) 1.890 8.963 ( -3.317 6.973 -0.142) 7.723 9.164 ( 0.526 -0.125 -0.057) 0.544 9.255 ( 0.225 -1.053 -1.729) 2.037 9.999 ( -3.363 5.341 0.452) 6.328 10.520 ( 3.232 -5.632 -1.556) 6.677 ======================= Grid point 238 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -5.997 9.305 -2.179) 11.283 1.351 ( -3.348 5.398 1.753) 6.589 1.442 ( -0.289 1.031 1.358) 1.729 1.502 ( -2.368 3.041 -0.761) 3.929 1.659 ( 1.370 2.500 -1.756) 3.348 1.774 ( 2.100 1.494 -0.976) 2.756 1.874 ( -3.361 1.052 0.281) 3.533 1.965 ( -0.363 -1.739 0.268) 1.797 2.379 ( 11.635 -16.253 -1.113) 20.019 2.616 ( -11.888 5.281 0.039) 13.008 3.270 ( 4.917 -9.256 -0.098) 10.482 3.309 ( -2.139 4.059 -0.118) 4.590 3.365 ( 1.896 -4.584 -0.548) 4.991 4.041 ( 9.627 4.502 -0.028) 10.628 4.776 ( 2.620 -14.057 -0.101) 14.300 7.635 ( -1.419 3.967 -0.154) 4.216 7.741 ( -2.878 2.372 -0.299) 3.741 7.933 ( 2.392 -2.759 0.171) 3.655 8.078 ( -0.526 1.134 0.178) 1.262 8.810 ( -1.707 5.208 0.085) 5.481 8.895 ( -0.674 1.417 0.246) 1.588 8.944 ( -0.341 0.045 0.624) 0.712 9.075 ( -4.245 3.526 0.250) 5.524 9.154 ( 0.471 -0.187 -0.148) 0.528 9.220 ( 1.174 -1.776 -1.283) 2.486 10.111 ( -3.708 4.822 0.350) 6.093 10.403 ( 3.335 -5.091 -1.151) 6.194 ======================= Grid point 239 (101/171) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -1.232 1.517 -1.308) 2.352 1.410 ( 5.316 -2.131 0.244) 5.732 1.442 ( 2.238 0.418 1.793) 2.898 1.493 ( -1.436 3.484 -1.762) 4.160 1.714 ( 6.211 -1.620 -1.703) 6.641 1.776 ( -3.475 9.952 0.743) 10.568 1.924 ( -0.404 -0.587 0.466) 0.851 1.960 ( 0.044 -1.218 -0.664) 1.388 2.172 ( -5.283 -2.892 -0.115) 6.023 2.856 ( -9.734 -6.007 0.021) 11.439 2.981 ( 1.820 -9.642 -0.122) 9.813 3.314 ( -0.908 -3.259 -0.410) 3.408 3.446 ( 3.127 4.371 0.006) 5.375 3.962 ( 8.696 15.472 0.004) 17.748 4.675 ( -6.989 -13.768 -0.197) 15.442 7.667 ( 1.868 3.437 0.016) 3.912 7.808 ( -3.692 0.587 -0.210) 3.744 7.861 ( 2.788 -3.206 0.092) 4.250 8.097 ( -0.013 1.383 0.125) 1.389 8.855 ( 1.896 4.074 0.159) 4.497 8.911 ( 0.297 0.930 0.103) 0.982 8.943 ( 0.535 -0.362 -0.006) 0.646 9.136 ( 1.605 -0.824 -0.238) 1.819 9.164 ( -0.730 0.485 -0.066) 0.879 9.176 ( -2.164 -0.735 -0.272) 2.301 10.160 ( 3.239 0.986 -0.549) 3.430 10.352 ( -3.603 -1.415 0.199) 3.876 ======================= Grid point 240 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 11.986 -2.533 -0.938) 12.287 1.294 ( 1.778 -0.285 -0.287) 1.824 1.382 ( 13.974 -0.402 1.108) 14.023 1.490 ( -0.219 0.289 -1.065) 1.125 1.562 ( 1.846 -1.649 -0.296) 2.493 1.905 ( -1.576 2.746 1.175) 3.377 1.937 ( -2.121 0.005 -1.096) 2.387 1.953 ( 0.464 3.728 0.398) 3.777 2.428 ( -20.646 3.262 -0.081) 20.903 2.615 ( 12.351 -10.680 -0.041) 16.329 3.235 ( -21.533 -0.209 -0.057) 21.534 3.292 ( 14.558 0.248 0.120) 14.560 3.328 ( -3.885 -1.525 -0.269) 4.182 4.047 ( -0.474 10.712 -0.010) 10.723 4.740 ( -13.075 -6.512 -0.172) 14.608 7.642 ( 4.070 1.511 0.073) 4.342 7.774 ( 3.881 -2.028 0.042) 4.379 7.878 ( -3.677 0.107 -0.066) 3.679 8.104 ( 0.515 0.792 0.003) 0.944 8.830 ( 4.770 2.074 0.099) 5.202 8.904 ( 1.557 0.517 0.084) 1.642 8.921 ( 1.559 -0.564 -0.213) 1.671 9.057 ( 5.639 -1.779 -0.295) 5.920 9.156 ( 0.006 0.024 -0.242) 0.243 9.245 ( -3.617 0.184 0.321) 3.636 10.060 ( 6.774 -0.948 -0.535) 6.861 10.452 ( -7.052 0.584 0.463) 7.092 ======================= Grid point 246 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 5.132 9.141) 10.484 0.780 ( 0.000 11.455 7.117) 13.486 1.224 ( -0.000 16.298 -1.715) 16.388 1.475 ( -0.000 -0.016 -7.192) 7.192 1.611 ( 0.000 4.096 5.765) 7.073 1.814 ( 0.000 -0.257 1.174) 1.202 1.852 ( 0.000 -4.378 -1.966) 4.799 1.985 ( 0.000 -1.778 2.484) 3.055 2.163 ( -0.000 7.583 -5.995) 9.666 2.814 ( -0.000 3.961 0.063) 3.962 3.329 ( 0.000 -18.358 -0.248) 18.360 3.611 ( 0.000 -5.084 -0.820) 5.149 4.096 ( 0.000 -10.516 0.121) 10.516 4.214 ( 0.000 -6.442 -0.048) 6.442 5.384 ( 0.000 -11.325 -0.095) 11.325 7.435 ( -0.000 2.894 -0.080) 2.895 7.529 ( -0.000 5.893 -0.303) 5.901 7.998 ( -0.000 0.362 -0.242) 0.435 8.072 ( 0.000 -1.015 0.509) 1.135 8.524 ( -0.000 4.728 0.181) 4.731 8.713 ( -0.000 10.452 -0.365) 10.458 8.783 ( -0.000 3.512 -0.034) 3.512 8.924 ( 0.000 -1.253 3.177) 3.415 9.180 ( 0.000 -0.118 0.270) 0.294 9.247 ( -0.000 1.179 -2.609) 2.863 9.853 ( -0.000 3.873 0.740) 3.943 10.684 ( 0.000 -5.358 -1.107) 5.471 ======================= Grid point 247 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.275 8.091 4.347) 9.189 0.987 ( -5.397 11.381 5.622) 13.794 1.349 ( -2.102 7.340 -1.268) 7.740 1.430 ( -0.476 0.219 -6.074) 6.097 1.701 ( -1.849 2.584 2.782) 4.224 1.780 ( 0.599 -2.752 -0.168) 2.822 1.825 ( 1.273 1.340 -0.462) 1.905 1.992 ( -1.138 -2.860 1.187) 3.299 2.230 ( -0.767 13.128 -2.728) 13.430 2.887 ( -3.323 6.470 -0.033) 7.273 3.080 ( 6.889 -20.721 -0.658) 21.846 3.542 ( 1.665 -5.472 -0.677) 5.760 3.911 ( 7.778 -13.951 0.040) 15.973 4.171 ( -1.892 -6.690 -0.052) 6.953 5.224 ( 6.119 -11.293 -0.122) 12.845 7.482 ( -2.335 3.089 -0.119) 3.874 7.595 ( -1.043 6.210 -0.261) 6.303 7.998 ( 0.271 0.165 -0.097) 0.332 8.065 ( -0.101 -1.162 0.318) 1.209 8.600 ( -3.311 5.027 0.115) 6.021 8.820 ( -1.330 4.131 0.088) 4.341 8.833 ( -2.017 8.710 -0.305) 8.945 8.935 ( -0.111 -0.609 2.266) 2.349 9.174 ( 0.568 -0.083 0.074) 0.579 9.243 ( -0.558 0.120 -1.982) 2.062 9.912 ( -1.877 4.615 0.454) 5.003 10.606 ( 1.956 -5.812 -1.165) 6.242 ======================= Grid point 248 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -3.414 11.450 -0.121) 11.949 1.229 ( -6.495 10.114 4.578) 12.862 1.405 ( -1.357 2.227 -3.950) 4.733 1.426 ( -1.092 2.758 0.110) 2.968 1.699 ( 1.362 -3.591 0.136) 3.843 1.777 ( -0.498 -0.357 -2.151) 2.237 1.828 ( -0.161 2.444 1.120) 2.693 1.982 ( -0.639 -2.924 0.332) 3.012 2.395 ( -5.225 12.697 -0.269) 13.732 2.734 ( 10.766 -20.299 -0.745) 22.990 3.052 ( -6.986 11.112 -0.155) 13.126 3.449 ( 2.775 -5.390 -0.432) 6.078 3.616 ( 10.054 -17.192 -0.003) 19.916 4.128 ( 1.814 -3.291 -0.043) 3.758 4.994 ( 8.115 -11.875 -0.058) 14.383 7.558 ( -3.132 3.460 -0.141) 4.669 7.669 ( -1.687 4.940 -0.202) 5.224 7.983 ( 1.257 -1.234 0.102) 1.765 8.064 ( -0.539 -0.124 0.112) 0.564 8.712 ( -3.947 5.326 0.067) 6.629 8.864 ( -1.070 2.257 0.073) 2.499 8.946 ( -0.505 -0.245 1.237) 1.359 8.961 ( -3.627 6.727 -0.110) 7.644 9.164 ( 0.615 -0.141 -0.061) 0.634 9.233 ( 0.005 -0.870 -1.213) 1.493 10.005 ( -3.552 5.008 0.285) 6.147 10.501 ( 3.263 -5.623 -0.942) 6.569 ======================= Grid point 249 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -5.753 9.477 -0.877) 11.121 1.378 ( -2.142 2.864 1.548) 3.897 1.443 ( -0.989 3.124 -0.725) 3.356 1.498 ( -2.453 2.344 -0.008) 3.393 1.647 ( 1.118 3.242 -0.084) 3.430 1.756 ( 1.452 0.860 -0.966) 1.945 1.879 ( -3.232 1.158 0.255) 3.442 1.967 ( -0.189 -1.846 0.060) 1.857 2.368 ( 11.407 -16.558 -0.424) 20.111 2.616 ( -11.859 5.396 0.025) 13.029 3.269 ( 4.507 -8.531 -0.039) 9.649 3.308 ( -1.809 3.325 -0.029) 3.785 3.359 ( 1.855 -4.677 -0.223) 5.037 4.041 ( 9.530 4.409 -0.009) 10.501 4.775 ( 2.665 -14.091 -0.038) 14.341 7.633 ( -1.461 4.028 -0.061) 4.285 7.738 ( -2.815 2.460 -0.118) 3.741 7.934 ( 2.343 -2.888 0.068) 3.720 8.080 ( -0.541 1.167 0.071) 1.289 8.812 ( -1.684 5.337 0.062) 5.597 8.897 ( -0.627 1.496 0.023) 1.622 8.952 ( -0.083 -0.471 0.333) 0.582 9.077 ( -4.515 3.497 0.089) 5.711 9.152 ( 0.482 -0.199 -0.056) 0.525 9.206 ( 1.086 -1.698 -0.546) 2.088 10.115 ( -3.695 4.575 0.129) 5.882 10.391 ( 3.105 -4.939 -0.429) 5.850 ======================= Grid point 250 (107/171) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -1.262 1.674 -0.000) 2.097 1.410 ( 7.777 -4.258 0.000) 8.867 1.468 ( -0.286 0.934 -0.000) 0.977 1.469 ( -1.625 5.229 -0.000) 5.475 1.700 ( 6.954 -2.646 0.000) 7.441 1.782 ( -4.161 10.815 -0.000) 11.588 1.926 ( -0.576 -2.036 0.000) 2.116 1.956 ( 0.300 -0.408 0.000) 0.506 2.171 ( -5.496 -2.712 -0.000) 6.129 2.856 ( -9.749 -5.986 -0.000) 11.440 2.980 ( 1.903 -9.679 0.000) 9.864 3.311 ( -0.905 -3.305 0.000) 3.426 3.446 ( 3.036 4.401 -0.000) 5.346 3.962 ( 8.700 15.458 -0.000) 17.738 4.673 ( -6.948 -13.822 0.000) 15.471 7.667 ( 1.829 3.493 -0.000) 3.943 7.806 ( -3.688 0.630 -0.000) 3.741 7.861 ( 2.754 -3.290 0.000) 4.290 8.098 ( 0.025 1.394 -0.000) 1.394 8.856 ( 1.961 4.206 -0.000) 4.641 8.911 ( 0.292 0.958 -0.000) 1.002 8.944 ( 0.611 -0.615 0.000) 0.867 9.135 ( 1.789 -0.899 0.000) 2.002 9.162 ( 0.823 -0.472 0.000) 0.949 9.176 ( -4.026 0.303 -0.000) 4.037 10.156 ( 3.558 0.701 0.000) 3.627 10.354 ( -4.046 -1.148 -0.000) 4.206 ======================= Grid point 257 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 0.000 10.744 5.477) 12.059 0.891 ( 0.000 0.200 7.345) 7.348 1.192 ( -0.000 15.812 -2.553) 16.017 1.381 ( -0.000 0.027 -5.370) 5.370 1.681 ( 0.000 2.909 3.573) 4.607 1.820 ( -0.000 -1.859 -1.279) 2.257 1.827 ( -0.000 -1.778 -0.116) 1.782 2.013 ( -0.000 -1.981 1.265) 2.350 2.094 ( -0.000 9.342 -3.379) 9.934 2.815 ( -0.000 3.977 0.039) 3.977 3.326 ( -0.000 -18.916 -0.186) 18.917 3.601 ( -0.000 -5.202 -0.508) 5.227 4.097 ( -0.000 -10.554 0.075) 10.554 4.213 ( -0.000 -6.523 -0.025) 6.523 5.383 ( -0.000 -11.506 -0.050) 11.506 7.434 ( 0.000 2.911 -0.049) 2.912 7.525 ( 0.000 5.909 -0.224) 5.913 7.995 ( -0.000 0.380 -0.148) 0.408 8.079 ( -0.000 -1.109 0.319) 1.154 8.526 ( 0.000 4.715 0.110) 4.717 8.709 ( -0.000 10.488 -0.216) 10.490 8.783 ( 0.000 3.509 -0.034) 3.509 8.962 ( 0.000 -1.493 1.937) 2.446 9.183 ( 0.000 -0.149 0.166) 0.223 9.215 ( -0.000 1.233 -1.715) 2.113 9.862 ( 0.000 3.533 0.462) 3.563 10.671 ( 0.000 -5.726 -0.636) 5.761 ======================= Grid point 258 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 1.855 4.467 2.074) 5.262 1.053 ( -4.769 11.593 2.846) 12.855 1.334 ( -2.797 9.058 -0.667) 9.504 1.360 ( -1.106 -0.018 -3.051) 3.246 1.731 ( -1.651 0.223 1.276) 2.098 1.763 ( 0.166 -4.158 -1.246) 4.344 1.831 ( 1.787 2.483 0.515) 3.102 2.003 ( -0.632 -2.897 0.360) 2.987 2.203 ( -1.515 14.843 -0.890) 14.947 2.887 ( -3.238 6.443 -0.006) 7.211 3.073 ( 6.911 -21.164 -0.263) 22.265 3.535 ( 1.554 -5.580 -0.263) 5.799 3.911 ( 7.796 -13.989 0.015) 16.015 4.171 ( -1.930 -6.765 -0.018) 7.035 5.223 ( 6.051 -11.394 -0.044) 12.901 7.481 ( -2.260 3.118 -0.046) 3.851 7.592 ( -1.049 6.229 -0.109) 6.317 7.997 ( 0.159 0.211 -0.037) 0.267 8.069 ( -0.046 -1.267 0.124) 1.274 8.602 ( -3.277 5.038 0.046) 6.010 8.822 ( -1.104 3.729 0.146) 3.892 8.828 ( -2.345 9.165 -0.244) 9.463 8.960 ( -0.006 -1.071 0.938) 1.423 9.175 ( 0.684 -0.064 -0.003) 0.687 9.222 ( -0.746 0.235 -0.815) 1.130 9.917 ( -1.952 4.351 0.175) 4.772 10.594 ( 2.022 -5.967 -0.431) 6.315 ======================= Grid point 259 (110/171) ======================= q-point: ( 0.80 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -2.616 10.521 -0.000) 10.841 1.274 ( -7.008 11.718 -0.000) 13.653 1.361 ( -0.765 0.011 -0.000) 0.765 1.429 ( -1.710 4.021 -0.000) 4.370 1.701 ( 1.547 -4.315 0.000) 4.584 1.760 ( -0.489 -0.201 -0.000) 0.529 1.836 ( -0.097 2.171 -0.000) 2.173 1.985 ( -0.542 -2.954 0.000) 3.004 2.393 ( -5.432 13.027 -0.000) 14.114 2.728 ( 10.731 -20.552 0.000) 23.185 3.051 ( -6.976 11.077 -0.000) 13.090 3.446 ( 2.716 -5.436 0.000) 6.077 3.616 ( 10.052 -17.213 0.000) 19.933 4.127 ( 1.787 -3.337 0.000) 3.786 4.993 ( 8.085 -11.903 0.000) 14.390 7.557 ( -3.103 3.487 -0.000) 4.668 7.667 ( -1.670 4.956 -0.000) 5.229 7.984 ( 1.204 -1.233 0.000) 1.723 8.065 ( -0.534 -0.155 -0.000) 0.556 8.713 ( -3.932 5.354 -0.000) 6.643 8.865 ( -1.055 2.300 -0.000) 2.531 8.956 ( -0.174 -0.700 0.000) 0.721 8.960 ( -3.951 6.864 -0.000) 7.920 9.163 ( 0.637 -0.148 0.000) 0.654 9.224 ( -0.074 -0.783 0.000) 0.787 10.007 ( -3.624 4.882 -0.000) 6.080 10.494 ( 3.278 -5.624 0.000) 6.509 ======================= Grid point 265 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 15.438 0.000 1.125) 15.479 1.109 ( 13.687 -0.000 4.014) 14.264 1.388 ( -0.304 -0.000 0.972) 1.018 1.495 ( 0.849 0.000 -0.276) 0.893 1.525 ( 0.522 0.000 -0.536) 0.748 1.851 ( 4.371 0.000 0.234) 4.377 1.951 ( -0.560 0.000 -1.608) 1.703 1.993 ( -3.357 0.000 -0.527) 3.398 2.342 ( 15.740 0.000 -0.049) 15.740 2.811 ( -22.945 -0.000 0.140) 22.945 3.050 ( 12.502 0.000 -0.360) 12.507 3.427 ( -5.674 -0.000 0.894) 5.744 3.591 ( -21.418 -0.000 0.123) 21.419 4.131 ( -3.362 -0.000 0.134) 3.364 4.959 ( -14.632 -0.000 0.549) 14.642 7.569 ( 4.458 0.000 -0.238) 4.464 7.680 ( 5.626 0.000 -0.388) 5.639 7.934 ( -2.558 -0.000 0.121) 2.561 8.106 ( 0.221 -0.000 0.283) 0.359 8.744 ( 6.181 0.000 -0.185) 6.183 8.861 ( 2.773 0.000 -0.047) 2.773 8.941 ( 0.583 -0.000 1.923) 2.009 8.952 ( 8.704 0.000 0.450) 8.716 9.173 ( 0.330 -0.000 0.515) 0.611 9.249 ( -1.777 0.000 -1.694) 2.455 10.001 ( 6.416 -0.000 1.729) 6.645 10.518 ( -6.751 0.000 -1.602) 6.938 ======================= Grid point 269 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.000 10.720 0.000) 10.720 0.952 ( 0.000 -3.388 0.000) 3.388 1.167 ( -0.000 17.531 0.000) 17.531 1.338 ( 0.000 -0.178 0.000) 0.178 1.708 ( -0.000 2.001 0.000) 2.001 1.806 ( 0.000 -4.610 0.000) 4.610 1.830 ( -0.000 1.755 0.000) 1.755 2.022 ( 0.000 -2.046 0.000) 2.046 2.069 ( -0.000 10.060 0.000) 10.060 2.815 ( -0.000 3.983 0.000) 3.983 3.324 ( 0.000 -19.135 0.000) 19.135 3.597 ( 0.000 -5.247 0.000) 5.247 4.098 ( 0.000 -10.569 0.000) 10.569 4.213 ( 0.000 -6.555 0.000) 6.555 5.383 ( 0.000 -11.572 0.000) 11.572 7.433 ( -0.000 2.918 0.000) 2.918 7.524 ( -0.000 5.916 0.000) 5.916 7.994 ( -0.000 0.387 0.000) 0.387 8.081 ( 0.000 -1.146 0.000) 1.146 8.527 ( -0.000 4.711 0.000) 4.711 8.707 ( -0.000 10.511 0.000) 10.511 8.782 ( -0.000 3.490 0.000) 3.490 8.976 ( 0.000 -1.503 0.000) 1.503 9.184 ( 0.000 -0.160 0.000) 0.160 9.201 ( -0.000 1.196 0.000) 1.196 9.865 ( -0.000 3.402 0.000) 3.402 10.666 ( 0.000 -5.865 0.000) 5.865 ======================= Grid point 276 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 7.332 -0.367 -1.623) 7.518 1.347 ( 10.667 -1.347 3.891) 11.434 1.398 ( 0.037 -0.227 1.809) 1.823 1.510 ( 2.975 2.520 -1.312) 4.114 1.604 ( 7.953 -4.080 0.594) 8.958 1.865 ( -1.740 4.353 0.189) 4.692 1.909 ( 1.335 2.725 -0.777) 3.133 1.960 ( -0.933 -0.873 -0.729) 1.471 2.436 ( -20.944 3.493 0.149) 21.234 2.626 ( 12.422 -10.161 0.367) 16.053 3.241 ( -21.173 -0.143 0.143) 21.174 3.280 ( 14.699 0.088 -0.247) 14.701 3.358 ( -4.011 -1.147 0.674) 4.226 4.049 ( -0.701 10.497 0.059) 10.521 4.760 ( -13.117 -6.083 0.440) 14.466 7.633 ( 4.121 1.220 -0.183) 4.302 7.767 ( 4.501 -1.620 -0.224) 4.789 7.886 ( -3.631 -0.104 0.181) 3.637 8.105 ( -0.045 0.800 0.066) 0.804 8.826 ( 5.018 1.949 0.056) 5.383 8.893 ( 1.228 0.091 -0.128) 1.238 8.957 ( 0.119 0.184 0.946) 0.972 9.080 ( 5.476 -1.727 0.379) 5.754 9.179 ( 0.190 0.752 0.286) 0.827 9.203 ( -2.520 -0.485 -0.926) 2.728 10.121 ( 6.453 -0.486 1.393) 6.620 10.400 ( -6.081 0.222 -1.175) 6.197 ======================= Grid point 277 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 12.476 -0.000 0.846) 12.505 1.160 ( 13.925 -0.000 2.687) 14.182 1.396 ( 1.519 -0.000 0.143) 1.525 1.494 ( 1.637 -0.000 0.099) 1.640 1.516 ( -0.431 0.000 -0.547) 0.697 1.857 ( 2.987 -0.000 0.431) 3.018 1.931 ( -0.148 0.000 -1.019) 1.030 1.981 ( -3.404 -0.000 -0.838) 3.505 2.343 ( 16.788 0.000 0.167) 16.789 2.813 ( -22.786 -0.000 0.082) 22.786 3.045 ( 12.416 -0.000 -0.202) 12.418 3.438 ( -5.678 0.000 0.551) 5.705 3.593 ( -21.370 -0.000 0.076) 21.370 4.132 ( -3.425 -0.000 0.092) 3.427 4.965 ( -14.596 0.000 0.334) 14.599 7.567 ( 4.447 0.000 -0.143) 4.449 7.675 ( 5.700 -0.000 -0.264) 5.706 7.935 ( -2.487 0.000 0.077) 2.488 8.110 ( 0.076 -0.000 0.183) 0.198 8.742 ( 6.310 0.000 -0.100) 6.311 8.861 ( 2.630 0.000 0.052) 2.631 8.957 ( 8.839 -0.000 0.219) 8.842 8.966 ( -0.118 0.000 1.358) 1.364 9.179 ( 0.437 0.000 0.293) 0.526 9.227 ( -1.452 -0.000 -1.258) 1.921 10.021 ( 6.441 -0.000 1.068) 6.529 10.498 ( -6.784 0.000 -0.973) 6.853 ======================= Grid point 287 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 1.996 0.083 -1.176) 2.318 1.394 ( -1.973 1.042 1.140) 2.506 1.456 ( -0.304 1.665 0.681) 1.824 1.586 ( 6.301 -0.891 1.825) 6.620 1.726 ( 1.683 3.505 -1.081) 4.036 1.777 ( 1.078 8.558 -0.073) 8.626 1.914 ( -0.755 0.255 1.167) 1.413 1.978 ( -0.694 -0.238 -0.637) 0.972 2.181 ( -2.305 -4.569 0.184) 5.121 2.856 ( -9.877 -5.986 0.032) 11.550 2.989 ( 1.342 -9.464 0.137) 9.560 3.339 ( -0.963 -2.879 0.401) 3.062 3.445 ( 3.898 4.131 -0.009) 5.680 3.962 ( 8.628 15.576 0.014) 17.806 4.687 ( -7.310 -13.309 0.200) 15.186 7.665 ( 2.170 2.970 -0.035) 3.679 7.821 ( -3.716 0.191 0.196) 3.726 7.854 ( 3.147 -2.497 -0.129) 4.019 8.091 ( -0.357 1.325 -0.057) 1.374 8.857 ( 2.031 4.129 0.232) 4.607 8.896 ( -0.220 0.588 -0.239) 0.672 8.953 ( -0.602 0.713 0.136) 0.943 9.135 ( -2.980 1.094 -0.552) 3.222 9.149 ( 1.052 -0.763 0.147) 1.308 9.215 ( 2.016 -1.416 0.567) 2.528 10.184 ( -0.078 3.614 0.153) 3.618 10.352 ( 0.784 -3.911 0.223) 3.995 ======================= Grid point 288 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 6.532 -0.244 -0.599) 6.564 1.396 ( 11.409 -1.303 2.369) 11.725 1.418 ( 0.720 -0.560 0.830) 1.233 1.487 ( 1.533 2.573 -1.464) 3.333 1.608 ( 7.921 -3.612 0.021) 8.706 1.870 ( -1.071 7.300 0.295) 7.384 1.903 ( 2.441 -0.387 -0.007) 2.471 1.947 ( -1.365 -0.971 -0.713) 1.821 2.437 ( -21.036 3.564 0.051) 21.335 2.630 ( 12.332 -10.009 0.161) 15.884 3.243 ( -21.033 -0.125 0.054) 21.034 3.278 ( 14.670 0.052 -0.090) 14.670 3.365 ( -4.057 -1.058 0.257) 4.201 4.050 ( -0.755 10.452 0.026) 10.479 4.764 ( -13.125 -5.989 0.167) 14.428 7.632 ( 4.130 1.162 -0.069) 4.291 7.764 ( 4.640 -1.536 -0.095) 4.889 7.888 ( -3.618 -0.152 0.070) 3.622 8.106 ( -0.161 0.802 0.032) 0.818 8.827 ( 5.198 1.963 0.037) 5.556 8.892 ( 1.119 0.111 -0.026) 1.125 8.967 ( -0.417 0.225 0.401) 0.620 9.084 ( 5.439 -1.721 0.127) 5.706 9.179 ( -1.039 1.021 -0.193) 1.469 9.196 ( -0.867 -0.757 -0.113) 1.157 10.136 ( 6.353 -0.339 0.529) 6.384 10.388 ( -5.834 0.095 -0.444) 5.852 ======================= Grid point 289 (117/171) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 11.181 0.000 0.000) 11.181 1.180 ( 14.160 0.000 0.000) 14.160 1.396 ( 2.629 0.000 0.000) 2.629 1.495 ( 1.715 0.000 0.000) 1.715 1.512 ( -0.956 -0.000 0.000) 0.956 1.861 ( 2.520 0.000 0.000) 2.520 1.924 ( 0.037 0.000 0.000) 0.037 1.974 ( -3.445 -0.000 0.000) 3.445 2.345 ( 17.120 0.000 0.000) 17.120 2.813 ( -22.727 -0.000 0.000) 22.727 3.044 ( 12.382 0.000 0.000) 12.382 3.442 ( -5.680 -0.000 0.000) 5.680 3.594 ( -21.352 -0.000 0.000) 21.352 4.133 ( -3.450 -0.000 0.000) 3.450 4.968 ( -14.582 -0.000 0.000) 14.582 7.565 ( 4.443 0.000 0.000) 4.443 7.673 ( 5.728 0.000 0.000) 5.728 7.936 ( -2.460 -0.000 0.000) 2.460 8.111 ( 0.022 0.000 0.000) 0.022 8.741 ( 6.365 0.000 0.000) 6.365 8.862 ( 2.570 0.000 0.000) 2.570 8.959 ( 8.897 0.000 0.000) 8.897 8.976 ( -0.408 -0.000 0.000) 0.408 9.181 ( 0.478 0.000 0.000) 0.478 9.217 ( -1.295 -0.000 -0.000) 1.295 10.029 ( 6.452 0.000 0.000) 6.452 10.491 ( -6.803 -0.000 0.000) 6.803 ======================= Grid point 298 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -6.535 7.057 1.278) 9.703 1.316 ( -4.282 5.275 -2.021) 7.088 1.360 ( -3.051 6.058 0.442) 6.797 1.601 ( -1.082 4.066 3.329) 5.365 1.672 ( 0.404 3.503 -3.335) 4.853 1.789 ( 4.654 -0.054 1.171) 4.799 1.899 ( -1.239 0.874 0.460) 1.584 1.933 ( -1.596 -1.358 -0.678) 2.203 2.429 ( 12.688 -14.843 0.430) 19.532 2.616 ( -11.932 4.619 0.021) 12.794 3.275 ( 6.291 -11.728 0.035) 13.309 3.317 ( -3.240 6.634 0.086) 7.383 3.386 ( 2.122 -4.271 0.175) 4.773 4.043 ( 10.032 4.874 0.017) 11.153 4.780 ( 2.445 -13.892 0.042) 14.105 7.641 ( -1.215 3.704 0.050) 3.899 7.753 ( -3.210 1.945 0.099) 3.755 7.926 ( 2.719 -2.183 -0.057) 3.487 8.072 ( -0.538 1.056 -0.053) 1.186 8.813 ( -1.946 5.270 0.093) 5.619 8.874 ( -1.104 1.086 -0.215) 1.563 8.927 ( -1.232 1.442 -0.129) 1.901 9.063 ( -2.917 3.642 -0.101) 4.667 9.160 ( 0.267 -0.101 0.057) 0.292 9.267 ( 1.611 -1.900 0.347) 2.515 10.095 ( -3.467 5.737 -0.143) 6.705 10.455 ( 4.049 -5.632 0.473) 6.952 ======================= Grid point 299 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 2.246 -0.058 0.000) 2.247 1.403 ( -2.587 1.228 -0.000) 2.864 1.462 ( -1.016 2.158 -0.000) 2.385 1.601 ( 8.186 -2.252 0.000) 8.490 1.717 ( 1.184 3.470 -0.000) 3.667 1.775 ( 0.943 9.750 -0.000) 9.796 1.926 ( -1.262 0.080 -0.000) 1.265 1.970 ( -0.483 0.062 -0.000) 0.487 2.182 ( -1.818 -4.770 0.000) 5.104 2.856 ( -9.922 -5.964 -0.000) 11.577 2.990 ( 1.308 -9.458 0.000) 9.548 3.342 ( -0.974 -2.834 0.000) 2.997 3.445 ( 3.989 4.104 -0.000) 5.724 3.963 ( 8.617 15.586 -0.000) 17.810 4.689 ( -7.345 -13.255 0.000) 15.154 7.665 ( 2.202 2.916 -0.000) 3.654 7.822 ( -3.712 0.142 -0.000) 3.715 7.853 ( 3.190 -2.415 0.000) 4.001 8.091 ( -0.398 1.323 -0.000) 1.382 8.859 ( 2.140 4.243 -0.000) 4.752 8.894 ( -0.313 0.586 -0.000) 0.664 8.954 ( -0.861 0.693 -0.000) 1.105 9.131 ( -2.882 1.082 -0.000) 3.078 9.150 ( 1.079 -0.775 0.000) 1.328 9.219 ( 2.112 -1.386 0.000) 2.526 10.184 ( -0.463 3.881 -0.000) 3.908 10.354 ( 1.297 -4.166 0.000) 4.363 ======================= Grid point 308 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -9.513 17.774 -0.000) 20.160 1.049 ( -9.432 12.117 -0.000) 15.356 1.365 ( 1.374 -0.499 0.000) 1.462 1.607 ( 2.866 0.992 0.000) 3.033 1.663 ( 1.466 1.666 -0.000) 2.219 1.788 ( -3.950 4.637 -0.000) 6.091 1.891 ( 0.103 -1.047 0.000) 1.052 1.921 ( -2.028 -1.777 0.000) 2.696 2.435 ( -2.397 8.294 -0.000) 8.633 2.784 ( 11.108 -18.237 0.000) 21.354 3.066 ( -7.067 11.376 -0.000) 13.392 3.478 ( 3.343 -4.862 0.000) 5.900 3.616 ( 10.072 -17.000 0.000) 19.760 4.131 ( 2.060 -2.889 0.000) 3.548 4.998 ( 8.433 -11.573 0.000) 14.320 7.568 ( -3.385 3.212 -0.000) 4.666 7.681 ( -1.908 4.793 -0.000) 5.159 7.977 ( 1.748 -1.145 0.000) 2.089 8.056 ( -0.581 0.153 -0.000) 0.601 8.711 ( -4.271 5.179 -0.000) 6.713 8.841 ( -1.244 1.554 -0.000) 1.990 8.888 ( -1.360 2.301 -0.000) 2.673 8.967 ( -2.685 7.312 -0.000) 7.790 9.165 ( 0.229 -0.071 0.000) 0.240 9.304 ( 0.836 -1.415 0.000) 1.644 9.985 ( -2.868 6.223 -0.000) 6.852 10.570 ( 3.206 -5.741 0.000) 6.575 ======================= Grid point 318 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.000 14.601 -0.000) 14.601 0.882 ( -0.000 20.912 -0.000) 20.912 1.383 ( 0.000 -0.619 0.000) 0.619 1.668 ( 0.000 -4.837 0.000) 4.837 1.690 ( -0.000 14.881 -0.000) 14.881 1.712 ( 0.000 -1.494 0.000) 1.494 1.847 ( -0.000 0.122 -0.000) 0.122 1.882 ( 0.000 -0.827 0.000) 0.827 2.500 ( -0.000 13.093 -0.000) 13.093 2.915 ( -0.000 7.070 -0.000) 7.070 2.966 ( 0.000 -21.565 0.000) 21.565 3.544 ( 0.000 -4.779 0.000) 4.779 3.865 ( 0.000 -13.258 0.000) 13.258 4.041 ( 0.000 -12.624 0.000) 12.624 5.194 ( 0.000 -8.980 0.000) 8.980 7.492 ( -0.000 2.787 -0.000) 2.787 7.661 ( -0.000 6.951 -0.000) 6.951 8.011 ( -0.000 0.232 -0.000) 0.232 8.037 ( 0.000 -1.296 0.000) 1.296 8.611 ( -0.000 4.743 -0.000) 4.743 8.819 ( -0.000 1.828 -0.000) 1.828 8.864 ( -0.000 2.977 -0.000) 2.977 8.931 ( -0.000 10.214 -0.000) 10.214 9.169 ( 0.000 -0.223 0.000) 0.223 9.317 ( 0.000 -1.144 0.000) 1.144 9.939 ( -0.000 6.734 -0.000) 6.734 10.622 ( 0.000 -6.128 0.000) 6.128 ======================= Grid point 319 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -5.627 13.254 0.701) 14.416 1.107 ( -3.713 18.817 0.271) 19.181 1.378 ( 0.478 0.058 0.398) 0.625 1.624 ( -1.057 -4.208 -2.631) 5.074 1.676 ( 2.006 0.014 1.285) 2.383 1.800 ( -0.887 5.727 -0.088) 5.796 1.869 ( -0.774 -0.878 -0.525) 1.283 1.877 ( -1.592 -0.977 0.788) 2.027 2.595 ( 5.717 16.874 -0.477) 17.822 2.718 ( 4.654 -21.478 -0.458) 21.982 3.057 ( -7.000 10.974 -0.068) 13.017 3.480 ( 2.373 -4.241 -0.310) 4.870 3.622 ( 10.264 -16.316 -0.016) 19.276 4.002 ( -7.934 -11.822 -0.084) 14.237 5.051 ( 8.007 -7.525 -0.113) 10.988 7.539 ( -2.749 2.364 -0.027) 3.626 7.724 ( 0.058 6.251 -0.029) 6.251 7.992 ( 1.627 -1.195 -0.020) 2.019 8.041 ( -1.283 -0.307 0.029) 1.320 8.685 ( -3.732 4.118 0.042) 5.557 8.842 ( -0.628 1.468 0.394) 1.645 8.895 ( -0.590 2.331 0.057) 2.405 9.023 ( -0.260 8.405 -0.112) 8.410 9.166 ( 0.060 -0.259 0.043) 0.269 9.298 ( 0.481 -1.725 -0.489) 1.856 10.016 ( -1.273 7.027 -0.025) 7.141 10.548 ( 1.514 -6.411 -0.507) 6.607 ======================= Grid point 320 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -5.088 8.838 -0.252) 10.201 1.324 ( -4.009 8.757 1.611) 9.764 1.382 ( -0.148 2.887 0.162) 2.896 1.599 ( -1.296 1.714 -3.860) 4.418 1.702 ( -2.723 2.657 1.930) 4.266 1.813 ( 1.514 0.074 -0.931) 1.779 1.870 ( -1.323 -0.604 -1.097) 1.822 1.902 ( -1.595 -1.237 1.113) 2.305 2.425 ( 7.066 -18.223 -1.285) 19.587 2.651 ( 4.514 13.838 -0.043) 14.556 3.266 ( 4.724 -8.755 -0.032) 9.948 3.323 ( -1.988 3.936 -0.235) 4.416 3.392 ( 3.379 -3.465 -0.480) 4.863 4.048 ( -8.543 -5.787 -0.193) 10.321 4.804 ( 13.106 -7.895 -0.101) 15.300 7.617 ( -4.187 1.858 -0.081) 4.582 7.770 ( 0.692 4.498 -0.006) 4.551 7.943 ( 2.263 -2.365 -0.075) 3.274 8.065 ( -1.363 0.519 0.078) 1.461 8.795 ( -5.034 3.410 0.007) 6.080 8.870 ( -0.941 0.943 0.503) 1.424 8.925 ( -0.875 1.357 0.116) 1.619 9.088 ( 0.244 5.473 -0.152) 5.481 9.162 ( 0.176 -0.223 -0.024) 0.285 9.264 ( 0.855 -2.184 -0.774) 2.469 10.107 ( -2.261 6.241 -0.038) 6.638 10.450 ( 2.792 -5.956 -0.886) 6.637 ======================= Grid point 321 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.020 1.271 0.024) 1.272 1.380 ( -0.380 0.822 0.913) 1.286 1.452 ( -1.511 1.625 -0.157) 2.225 1.628 ( 0.565 2.941 -3.573) 4.662 1.798 ( 0.727 3.830 0.289) 3.909 1.825 ( -3.132 5.967 0.079) 6.740 1.881 ( -3.133 -1.658 -0.947) 3.669 1.940 ( -3.976 1.619 0.937) 4.394 2.148 ( 7.205 -12.343 -1.740) 14.398 2.734 ( -2.521 8.123 0.014) 8.505 2.971 ( 8.377 -14.024 -0.037) 16.335 3.317 ( 1.763 -1.999 -0.579) 2.728 3.492 ( -2.866 5.500 -0.156) 6.204 4.178 ( -5.700 8.833 -0.297) 10.517 4.511 ( 9.525 -12.783 -0.060) 15.942 7.695 ( -2.906 1.609 -0.057) 3.322 7.789 ( 0.410 2.001 0.066) 2.044 7.878 ( 2.689 -2.394 -0.206) 3.606 8.091 ( -0.997 0.614 0.166) 1.182 8.887 ( -2.202 2.235 -0.304) 3.153 8.895 ( -0.946 0.447 0.472) 1.148 8.951 ( -0.967 0.720 0.215) 1.225 9.119 ( -0.216 1.791 0.213) 1.817 9.155 ( 0.449 -0.215 -0.153) 0.520 9.223 ( 1.169 -1.436 -1.000) 2.105 10.202 ( -2.854 4.984 0.133) 5.745 10.338 ( 3.532 -5.029 -1.067) 6.237 ======================= Grid point 322 (125/171) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 1.565 -0.000 1.108) 1.918 1.385 ( 0.195 0.000 -0.480) 0.518 1.437 ( 4.062 0.000 -2.416) 4.727 1.574 ( 3.360 0.000 -0.535) 3.403 1.758 ( 10.682 0.000 -0.846) 10.715 1.850 ( -1.635 0.000 -1.044) 1.940 1.931 ( -1.864 -0.000 0.517) 1.934 1.967 ( 2.489 0.000 -0.550) 2.549 2.150 ( -15.539 -0.000 0.253) 15.541 2.742 ( 9.261 0.000 -0.164) 9.262 2.932 ( -15.292 -0.000 -0.165) 15.293 3.300 ( -1.456 0.000 -0.742) 1.634 3.480 ( 7.491 0.000 0.074) 7.491 4.187 ( 11.074 0.000 0.106) 11.074 4.484 ( -15.377 -0.000 -0.578) 15.387 7.704 ( 2.937 0.000 0.249) 2.947 7.818 ( 3.081 0.000 -0.159) 3.085 7.823 ( -3.606 -0.000 -0.134) 3.608 8.107 ( -0.354 -0.000 0.139) 0.380 8.897 ( 2.078 0.000 -0.331) 2.104 8.905 ( 0.098 -0.000 0.399) 0.411 8.959 ( 0.532 0.000 -0.313) 0.618 9.132 ( 2.378 0.000 -0.305) 2.398 9.157 ( -3.145 -0.000 0.926) 3.279 9.190 ( 1.015 0.000 -1.062) 1.469 10.212 ( 6.078 0.000 -1.593) 6.283 10.313 ( -5.568 -0.000 0.970) 5.652 ======================= Grid point 329 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -0.000 14.170 2.483) 14.386 0.891 ( -0.000 20.125 1.135) 20.157 1.387 ( 0.000 -0.194 0.410) 0.454 1.635 ( -0.000 -3.597 -4.098) 5.453 1.684 ( -0.000 9.328 -0.245) 9.331 1.731 ( 0.000 2.199 1.915) 2.916 1.867 ( 0.000 -0.968 2.425) 2.611 1.875 ( -0.000 -0.656 -0.884) 1.101 2.484 ( -0.000 13.955 -2.062) 14.107 2.916 ( -0.000 7.084 0.067) 7.084 2.961 ( 0.000 -21.788 -0.636) 21.797 3.539 ( 0.000 -4.822 -0.619) 4.862 3.866 ( 0.000 -13.266 0.046) 13.266 4.040 ( 0.000 -12.686 -0.152) 12.687 5.192 ( 0.000 -9.016 -0.239) 9.019 7.492 ( -0.000 2.793 -0.034) 2.793 7.660 ( -0.000 6.971 -0.095) 6.972 8.010 ( -0.000 0.241 -0.131) 0.275 8.039 ( 0.000 -1.363 0.201) 1.378 8.612 ( -0.000 4.741 0.107) 4.743 8.826 ( -0.000 1.779 0.837) 1.966 8.866 ( -0.000 2.865 0.332) 2.885 8.930 ( -0.000 9.986 -0.105) 9.987 9.170 ( 0.000 -0.234 0.138) 0.272 9.309 ( -0.000 -1.014 -1.146) 1.530 9.940 ( -0.000 6.583 0.088) 6.584 10.615 ( 0.000 -6.121 -0.987) 6.200 ======================= Grid point 330 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -4.352 13.379 1.719) 14.174 1.115 ( -4.100 17.646 0.944) 18.141 1.390 ( 0.366 0.230 1.145) 1.224 1.573 ( -0.061 -2.599 -4.061) 4.821 1.687 ( 0.071 -1.349 0.090) 1.354 1.801 ( -0.645 4.620 0.144) 4.667 1.857 ( 0.401 -0.664 -1.013) 1.276 1.894 ( -2.032 -1.666 1.381) 2.968 2.583 ( 5.172 17.232 -1.134) 18.027 2.706 ( 4.728 -21.406 -1.246) 21.957 3.055 ( -6.799 10.956 -0.160) 12.895 3.472 ( 2.251 -4.320 -0.818) 4.940 3.622 ( 10.288 -16.371 -0.042) 19.335 4.000 ( -7.979 -11.912 -0.219) 14.338 5.048 ( 7.908 -7.562 -0.285) 10.945 7.539 ( -2.708 2.382 -0.072) 3.607 7.724 ( 0.096 6.376 -0.094) 6.378 7.992 ( 1.585 -1.224 -0.041) 2.003 8.042 ( -1.305 -0.426 0.077) 1.375 8.686 ( -3.687 4.133 0.115) 5.540 8.852 ( -0.535 1.340 0.894) 1.697 8.898 ( -0.648 2.046 0.379) 2.180 9.019 ( -0.328 8.270 -0.360) 8.284 9.167 ( 0.133 -0.270 0.109) 0.320 9.284 ( 0.380 -1.585 -1.352) 2.117 10.015 ( -1.373 6.751 -0.060) 6.890 10.535 ( 1.523 -6.314 -1.307) 6.626 ======================= Grid point 331 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -3.625 8.677 -0.174) 9.406 1.342 ( -5.100 11.214 0.483) 12.328 1.397 ( 0.697 0.628 2.164) 2.359 1.547 ( -1.134 1.827 -3.202) 3.858 1.703 ( -3.531 0.803 -1.625) 3.969 1.816 ( 1.823 1.061 1.393) 2.528 1.847 ( -1.494 -0.525 -2.059) 2.597 1.915 ( -1.667 -1.381 0.688) 2.271 2.400 ( 6.933 -18.767 -2.040) 20.110 2.650 ( 4.269 13.925 -0.058) 14.564 3.265 ( 4.408 -8.136 -0.054) 9.254 3.319 ( -1.715 3.357 -0.359) 3.787 3.382 ( 3.205 -3.532 -0.792) 4.835 4.044 ( -8.577 -5.954 -0.311) 10.446 4.802 ( 12.976 -7.879 -0.152) 15.181 7.615 ( -4.147 1.897 -0.132) 4.562 7.770 ( 0.768 4.771 -0.051) 4.832 7.942 ( 2.210 -2.617 -0.084) 3.427 8.066 ( -1.448 0.503 0.133) 1.539 8.795 ( -4.879 3.439 0.068) 5.970 8.880 ( -0.810 0.857 0.809) 1.430 8.928 ( -0.933 1.084 0.269) 1.456 9.085 ( -0.065 5.369 -0.317) 5.378 9.161 ( 0.309 -0.232 -0.049) 0.389 9.248 ( 0.729 -2.109 -1.347) 2.607 10.107 ( -2.532 5.968 -0.048) 6.483 10.432 ( 2.792 -5.789 -1.418) 6.582 ======================= Grid point 332 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -0.708 1.706 -1.225) 2.216 1.406 ( 1.153 0.678 2.390) 2.739 1.452 ( -0.977 1.154 0.139) 1.518 1.575 ( -0.066 3.193 -3.663) 4.859 1.786 ( -3.208 5.404 -1.221) 6.402 1.830 ( 1.741 3.714 -0.359) 4.117 1.874 ( -5.177 -1.509 0.345) 5.404 1.948 ( -2.899 2.140 0.122) 3.605 2.120 ( 5.851 -12.954 -1.877) 14.338 2.734 ( -2.497 7.986 0.025) 8.368 2.970 ( 8.475 -13.928 -0.021) 16.304 3.307 ( 1.722 -2.027 -0.728) 2.757 3.490 ( -3.034 5.569 -0.194) 6.345 4.173 ( -6.026 8.488 -0.372) 10.416 4.510 ( 9.774 -12.568 -0.060) 15.921 7.694 ( -3.088 1.631 -0.082) 3.494 7.790 ( 0.658 2.462 0.051) 2.549 7.875 ( 2.544 -2.844 -0.240) 3.823 8.094 ( -1.004 0.626 0.240) 1.207 8.884 ( -2.006 2.233 -0.016) 3.002 8.904 ( -0.685 0.323 0.708) 1.036 8.952 ( -0.840 0.707 -0.116) 1.104 9.122 ( -0.885 1.779 0.272) 2.006 9.153 ( 0.511 -0.190 -0.204) 0.582 9.205 ( 1.109 -1.509 -1.363) 2.316 10.204 ( -2.806 5.020 0.090) 5.752 10.321 ( 3.059 -5.094 -1.222) 6.066 ======================= Grid point 333 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 0.006 0.000 -1.473) 1.473 1.403 ( 6.411 0.000 -2.163) 6.766 1.406 ( 1.748 -0.000 2.938) 3.419 1.563 ( 0.500 0.000 -0.856) 0.991 1.724 ( 11.703 0.000 -3.417) 12.192 1.854 ( -1.889 -0.000 1.270) 2.276 1.940 ( -2.472 -0.000 0.615) 2.548 1.953 ( 0.714 0.000 -1.341) 1.519 2.154 ( -14.716 -0.000 0.196) 14.717 2.740 ( 9.558 0.000 -0.097) 9.558 2.929 ( -15.234 -0.000 -0.172) 15.235 3.289 ( -1.359 0.000 -0.745) 1.550 3.481 ( 7.222 0.000 0.073) 7.222 4.188 ( 11.167 0.000 0.123) 11.167 4.475 ( -15.361 -0.000 -0.585) 15.372 7.708 ( 2.826 0.000 0.250) 2.837 7.816 ( 2.747 0.000 -0.221) 2.756 7.821 ( -3.410 -0.000 -0.120) 3.412 8.109 ( -0.209 -0.000 0.185) 0.279 8.895 ( 2.004 0.000 0.094) 2.006 8.913 ( 0.282 -0.000 0.570) 0.636 8.952 ( 0.943 0.000 -0.678) 1.162 9.127 ( 2.679 0.000 -0.411) 2.710 9.170 ( -3.556 -0.000 0.881) 3.663 9.173 ( 0.611 0.000 -1.150) 1.303 10.188 ( 6.221 0.000 -1.583) 6.419 10.327 ( -6.118 -0.000 0.971) 6.195 ======================= Grid point 340 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -0.000 17.765 2.144) 17.894 0.929 ( -0.000 13.066 4.491) 13.816 1.393 ( -0.000 1.261 0.363) 1.312 1.561 ( -0.000 -1.830 -5.802) 6.084 1.687 ( -0.000 5.037 0.636) 5.077 1.756 ( 0.000 1.257 1.240) 1.766 1.860 ( -0.000 0.217 -1.006) 1.029 1.905 ( 0.000 -2.319 2.572) 3.464 2.446 ( -0.000 16.137 -3.011) 16.415 2.917 ( -0.000 7.121 0.107) 7.122 2.948 ( 0.000 -22.376 -1.092) 22.403 3.527 ( 0.000 -4.936 -1.004) 5.037 3.867 ( 0.000 -13.288 0.074) 13.288 4.037 ( 0.000 -12.853 -0.246) 12.855 5.187 ( 0.000 -9.117 -0.360) 9.124 7.491 ( -0.000 2.808 -0.054) 2.808 7.658 ( -0.000 7.040 -0.190) 7.042 8.008 ( -0.000 0.265 -0.211) 0.338 8.043 ( 0.000 -1.527 0.322) 1.561 8.614 ( -0.000 4.738 0.171) 4.741 8.838 ( -0.000 2.255 0.533) 2.317 8.878 ( 0.000 2.291 1.408) 2.688 8.927 ( -0.000 9.162 -0.215) 9.164 9.172 ( 0.000 -0.263 0.223) 0.345 9.286 ( -0.000 -0.695 -1.982) 2.101 9.942 ( -0.000 6.189 0.150) 6.191 10.596 ( 0.000 -6.132 -1.534) 6.322 ======================= Grid point 341 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -1.708 14.998 1.084) 15.134 1.141 ( -5.164 13.566 2.853) 14.793 1.410 ( 0.078 1.098 1.551) 1.902 1.509 ( -0.461 -1.060 -4.755) 4.894 1.682 ( -0.124 -2.676 -0.677) 2.763 1.794 ( -1.632 2.109 -1.420) 3.021 1.850 ( 1.625 0.872 0.288) 1.866 1.913 ( -1.702 -2.771 1.165) 3.454 2.565 ( 4.362 17.900 -1.115) 18.458 2.684 ( 4.787 -21.541 -1.672) 22.129 3.053 ( -6.485 10.912 -0.165) 12.695 3.458 ( 2.063 -4.442 -1.024) 5.003 3.621 ( 10.323 -16.461 -0.052) 19.430 3.996 ( -8.052 -12.059 -0.268) 14.502 5.044 ( 7.754 -7.625 -0.332) 10.880 7.538 ( -2.640 2.414 -0.089) 3.578 7.722 ( 0.158 6.572 -0.153) 6.576 7.991 ( 1.490 -1.243 -0.029) 1.940 8.043 ( -1.323 -0.620 0.099) 1.464 8.688 ( -3.636 4.154 0.154) 5.522 8.864 ( -0.481 1.583 0.682) 1.790 8.908 ( -0.600 1.169 1.114) 1.723 9.013 ( -0.470 8.042 -0.579) 8.076 9.169 ( 0.261 -0.285 0.123) 0.406 9.261 ( 0.201 -1.347 -1.845) 2.293 10.014 ( -1.537 6.309 -0.062) 6.494 10.513 ( 1.547 -6.180 -1.575) 6.563 ======================= Grid point 342 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -2.108 9.527 -0.784) 9.789 1.347 ( -4.072 8.962 0.717) 9.869 1.436 ( 0.147 1.215 2.771) 3.029 1.508 ( -2.066 2.457 -2.269) 3.931 1.671 ( -2.817 -0.056 -2.294) 3.634 1.812 ( -1.275 -0.209 -2.658) 2.955 1.843 ( 0.594 1.361 1.916) 2.424 1.921 ( -1.687 -1.980 0.021) 2.601 2.370 ( 6.792 -19.420 -1.986) 20.669 2.649 ( 3.948 14.022 -0.038) 14.568 3.264 ( 3.936 -7.231 -0.056) 8.233 3.314 ( -1.303 2.482 -0.329) 2.822 3.370 ( 3.000 -3.605 -0.818) 4.761 4.039 ( -8.620 -6.165 -0.309) 10.603 4.800 ( 12.819 -7.857 -0.139) 15.036 7.613 ( -4.095 1.947 -0.133) 4.536 7.768 ( 0.854 5.076 -0.104) 5.148 7.941 ( 2.163 -2.902 -0.030) 3.619 8.068 ( -1.567 0.497 0.140) 1.650 8.797 ( -4.792 3.489 0.151) 5.929 8.891 ( -0.718 0.989 0.711) 1.414 8.933 ( -0.753 0.506 0.475) 1.024 9.080 ( -0.527 5.191 -0.395) 5.233 9.161 ( 0.466 -0.247 -0.073) 0.532 9.227 ( 0.568 -1.967 -1.489) 2.532 10.106 ( -2.859 5.632 -0.034) 6.316 10.411 ( 2.792 -5.592 -1.399) 6.405 ======================= Grid point 343 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -0.250 1.788 -1.275) 2.210 1.438 ( 0.437 2.271 1.684) 2.861 1.461 ( 0.297 -0.113 1.394) 1.430 1.525 ( -0.187 2.526 -3.143) 4.037 1.770 ( -2.928 4.903 -0.888) 5.779 1.813 ( -1.063 3.608 -1.542) 4.065 1.888 ( -3.535 -1.151 1.287) 3.934 1.942 ( -1.765 1.914 -0.875) 2.747 2.098 ( 4.076 -12.796 -1.131) 13.477 2.735 ( -2.481 7.828 0.026) 8.211 2.970 ( 8.569 -13.814 0.006) 16.256 3.297 ( 1.676 -2.052 -0.600) 2.716 3.487 ( -3.200 5.635 -0.158) 6.482 4.168 ( -6.343 8.133 -0.305) 10.318 4.509 ( 10.017 -12.345 -0.036) 15.898 7.693 ( -3.248 1.653 -0.076) 3.646 7.790 ( 0.852 2.939 0.003) 3.060 7.872 ( 2.453 -3.313 -0.166) 4.125 8.098 ( -1.027 0.643 0.220) 1.231 8.887 ( -1.978 2.328 0.343) 3.074 8.914 ( -0.525 0.429 0.619) 0.918 8.948 ( -0.449 0.357 -0.380) 0.688 9.126 ( -1.595 1.809 0.202) 2.420 9.150 ( 0.541 -0.201 -0.170) 0.602 9.186 ( 1.107 -1.574 -1.223) 2.280 10.205 ( -2.404 4.957 -0.027) 5.510 10.306 ( 2.243 -5.063 -0.871) 5.606 ======================= Grid point 344 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -0.132 0.000 -1.146) 1.154 1.377 ( 7.804 0.000 -1.262) 7.906 1.452 ( 1.150 -0.000 2.981) 3.195 1.552 ( -1.226 0.000 -0.627) 1.377 1.673 ( 12.242 0.000 -3.223) 12.659 1.877 ( -1.350 -0.000 1.775) 2.230 1.930 ( -0.415 0.000 -1.746) 1.795 1.948 ( -3.018 -0.000 0.414) 3.046 2.156 ( -14.073 -0.000 0.096) 14.073 2.739 ( 9.779 0.000 -0.024) 9.779 2.927 ( -15.191 -0.000 -0.110) 15.192 3.280 ( -1.288 0.000 -0.464) 1.369 3.482 ( 7.000 0.000 0.045) 7.000 4.190 ( 11.239 0.000 0.084) 11.239 4.468 ( -15.347 -0.000 -0.365) 15.351 7.711 ( 2.712 0.000 0.155) 2.717 7.813 ( 2.484 0.000 -0.167) 2.490 7.820 ( -3.228 -0.000 -0.066) 3.228 8.111 ( -0.094 -0.000 0.137) 0.166 8.899 ( 2.209 -0.000 0.412) 2.247 8.921 ( 0.415 -0.000 0.471) 0.628 8.941 ( 0.923 0.000 -0.745) 1.186 9.121 ( 3.036 0.000 -0.377) 3.060 9.159 ( 0.179 0.000 -0.720) 0.742 9.180 ( -3.806 -0.000 0.523) 3.841 10.169 ( 6.338 0.000 -0.972) 6.412 10.339 ( -6.562 -0.000 0.601) 6.589 ======================= Grid point 345 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -0.120 -0.000 0.000) 0.120 1.368 ( 8.267 0.000 -0.000) 8.267 1.477 ( 0.117 0.000 -0.000) 0.117 1.547 ( -1.800 -0.000 0.000) 1.800 1.646 ( 13.198 0.000 -0.000) 13.198 1.901 ( -0.298 -0.000 0.000) 0.298 1.906 ( -1.694 -0.000 0.000) 1.694 1.951 ( -3.240 -0.000 0.000) 3.240 2.157 ( -13.829 -0.000 0.000) 13.829 2.739 ( 9.858 0.000 -0.000) 9.858 2.926 ( -15.177 -0.000 0.000) 15.177 3.276 ( -1.263 -0.000 0.000) 1.263 3.483 ( 6.914 0.000 -0.000) 6.914 4.191 ( 11.266 0.000 -0.000) 11.266 4.465 ( -15.341 -0.000 0.000) 15.341 7.712 ( 2.663 0.000 -0.000) 2.663 7.811 ( 2.386 0.000 -0.000) 2.386 7.819 ( -3.151 -0.000 0.000) 3.151 8.113 ( -0.051 -0.000 0.000) 0.051 8.903 ( 2.492 0.000 -0.000) 2.492 8.924 ( 0.461 0.000 -0.000) 0.461 8.934 ( 0.694 0.000 -0.000) 0.694 9.118 ( 3.185 0.000 -0.000) 3.185 9.154 ( 0.006 0.000 -0.000) 0.006 9.184 ( -3.885 -0.000 0.000) 3.885 10.161 ( 6.384 0.000 -0.000) 6.384 10.344 ( -6.731 -0.000 0.000) 6.731 ======================= Grid point 351 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.000 14.187 2.699) 14.441 1.003 ( -0.000 11.758 5.653) 13.046 1.396 ( -0.000 3.570 -0.001) 3.570 1.472 ( -0.000 -0.435 -6.355) 6.370 1.699 ( 0.000 1.107 0.858) 1.401 1.758 ( 0.000 -1.294 -0.928) 1.592 1.853 ( 0.000 1.710 0.229) 1.726 1.938 ( 0.000 -3.179 1.908) 3.707 2.404 ( -0.000 18.632 -2.523) 18.802 2.919 ( 0.000 7.166 0.107) 7.167 2.931 ( -0.000 -23.124 -1.181) 23.154 3.512 ( -0.000 -5.078 -1.008) 5.177 3.868 ( -0.000 -13.314 0.074) 13.314 4.033 ( 0.000 -13.063 -0.245) 13.065 5.182 ( -0.000 -9.248 -0.332) 9.254 7.490 ( -0.000 2.826 -0.054) 2.827 7.655 ( 0.000 7.150 -0.233) 7.154 8.004 ( 0.000 0.294 -0.208) 0.360 8.047 ( 0.000 -1.713 0.327) 1.744 8.616 ( 0.000 4.733 0.168) 4.736 8.842 ( -0.000 2.802 0.183) 2.808 8.900 ( -0.000 4.542 1.228) 4.705 8.927 ( -0.000 5.370 0.404) 5.386 9.176 ( 0.000 -0.299 0.222) 0.372 9.254 ( 0.000 -0.339 -2.211) 2.236 9.944 ( 0.000 5.703 0.159) 5.705 10.573 ( -0.000 -6.197 -1.465) 6.368 ======================= Grid point 352 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -0.069 14.815 0.354) 14.819 1.195 ( -5.046 10.389 4.434) 12.372 1.428 ( -0.519 2.080 -0.681) 2.249 1.440 ( -0.973 1.140 -3.086) 3.431 1.672 ( 0.113 -4.176 -0.554) 4.214 1.765 ( -1.654 0.591 -2.193) 2.810 1.860 ( 1.476 1.735 0.836) 2.427 1.927 ( -1.218 -3.751 0.689) 4.004 2.553 ( 3.642 18.933 -0.585) 19.289 2.660 ( 4.779 -22.279 -1.528) 22.837 3.051 ( -6.185 10.857 -0.110) 12.495 3.444 ( 1.885 -4.556 -0.838) 5.001 3.620 ( 10.354 -16.551 -0.043) 19.523 3.993 ( -8.127 -12.208 -0.214) 14.667 5.039 ( 7.608 -7.690 -0.253) 10.821 7.536 ( -2.571 2.446 -0.073) 3.549 7.719 ( 0.220 6.759 -0.154) 6.764 7.991 ( 1.361 -1.223 -0.006) 1.830 8.045 ( -1.313 -0.820 0.088) 1.551 8.690 ( -3.610 4.172 0.135) 5.519 8.871 ( -0.504 2.018 0.310) 2.102 8.928 ( -0.394 0.100 1.405) 1.462 9.004 ( -0.666 7.822 -0.594) 7.873 9.170 ( 0.409 -0.296 0.075) 0.510 9.234 ( -0.010 -1.078 -1.683) 1.999 10.013 ( -1.702 5.872 -0.040) 6.114 10.492 ( 1.579 -6.071 -1.243) 6.395 ======================= Grid point 353 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -1.097 10.591 -0.906) 10.686 1.364 ( -2.763 5.181 1.425) 6.042 1.465 ( 0.123 2.463 0.743) 2.576 1.483 ( -3.624 3.880 -0.842) 5.376 1.648 ( -2.626 -0.464 -0.801) 2.784 1.774 ( -1.259 -0.188 -2.307) 2.635 1.867 ( 0.308 2.080 1.357) 2.503 1.917 ( -1.770 -3.181 -0.394) 3.661 2.346 ( 6.690 -19.895 -1.196) 21.024 2.649 ( 3.678 14.081 -0.012) 14.554 3.263 ( 3.473 -6.358 -0.037) 7.245 3.310 ( -0.898 1.614 -0.183) 1.856 3.360 ( 2.848 -3.649 -0.523) 4.658 4.036 ( -8.656 -6.339 -0.190) 10.730 4.799 ( 12.696 -7.837 -0.079) 14.920 7.612 ( -4.051 1.988 -0.083) 4.513 7.767 ( 0.918 5.289 -0.092) 5.369 7.941 ( 2.139 -3.100 0.011) 3.766 8.070 ( -1.673 0.501 0.090) 1.749 8.799 ( -4.818 3.553 0.143) 5.988 8.899 ( -0.655 1.322 0.312) 1.507 8.941 ( -0.425 -0.216 0.491) 0.684 9.075 ( -0.966 5.001 -0.279) 5.101 9.159 ( 0.574 -0.272 -0.076) 0.640 9.208 ( 0.438 -1.780 -1.003) 2.090 10.106 ( -3.118 5.362 -0.014) 6.203 10.394 ( 2.792 -5.439 -0.854) 6.173 ======================= Grid point 354 (140/171) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.073 1.986 -0.526) 2.056 1.458 ( -0.181 2.158 1.465) 2.614 1.482 ( -0.381 1.766 0.145) 1.812 1.487 ( 1.208 0.681 -1.436) 1.996 1.761 ( 0.449 1.059 -0.371) 1.209 1.795 ( -5.852 7.278 -0.707) 9.365 1.907 ( -2.370 -1.463 1.252) 3.053 1.926 ( -1.084 1.180 -1.258) 2.038 2.088 ( 2.832 -12.064 -0.317) 12.396 2.735 ( -2.475 7.717 0.011) 8.105 2.970 ( 8.623 -13.734 0.008) 16.217 3.291 ( 1.645 -2.065 -0.233) 2.651 3.486 ( -3.301 5.674 -0.060) 6.565 4.165 ( -6.535 7.908 -0.117) 10.260 4.509 ( 10.163 -12.204 -0.011) 15.882 7.692 ( -3.337 1.667 -0.031) 3.730 7.790 ( 0.942 3.225 -0.011) 3.360 7.871 ( 2.427 -3.594 -0.053) 4.337 8.100 ( -1.049 0.656 0.089) 1.240 8.892 ( -2.183 2.565 0.290) 3.381 8.920 ( -0.374 0.802 0.133) 0.895 8.943 ( -0.056 -0.354 -0.161) 0.393 9.128 ( -2.009 1.842 0.052) 2.726 9.148 ( 0.494 -0.234 -0.061) 0.551 9.173 ( 1.159 -1.590 -0.492) 2.029 10.204 ( -1.913 4.814 -0.043) 5.180 10.297 ( 1.499 -4.940 -0.295) 5.171 ======================= Grid point 362 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -0.000 10.586 2.080) 10.788 1.085 ( -0.000 10.963 5.225) 12.145 1.384 ( 0.000 0.260 -5.499) 5.505 1.394 ( -0.000 5.906 -0.235) 5.910 1.710 ( -0.000 -1.977 0.590) 2.063 1.737 ( 0.000 -1.838 -1.537) 2.396 1.861 ( 0.000 1.830 0.583) 1.921 1.959 ( 0.000 -3.647 0.995) 3.780 2.376 ( -0.000 20.402 -1.266) 20.441 2.917 ( -0.000 -23.762 -0.781) 23.775 2.920 ( 0.000 7.201 0.066) 7.202 3.500 ( -0.000 -5.193 -0.625) 5.231 3.869 ( -0.000 -13.335 0.046) 13.335 4.030 ( 0.000 -13.236 -0.151) 13.237 5.178 ( -0.000 -9.356 -0.192) 9.358 7.490 ( -0.000 2.841 -0.033) 2.841 7.652 ( -0.000 7.256 -0.164) 7.258 8.002 ( 0.000 0.317 -0.127) 0.342 8.052 ( 0.000 -1.853 0.208) 1.865 8.618 ( 0.000 4.730 0.102) 4.731 8.844 ( -0.000 2.954 0.124) 2.957 8.906 ( 0.000 9.317 -0.149) 9.319 8.942 ( -0.000 -0.284 1.269) 1.300 9.178 ( 0.000 -0.327 0.137) 0.355 9.226 ( 0.000 -0.060 -1.551) 1.552 9.946 ( 0.000 5.310 0.103) 5.311 10.556 ( -0.000 -6.279 -0.874) 6.339 ======================= Grid point 363 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.736 13.630 0.113) 13.650 1.261 ( -4.898 9.689 4.046) 11.586 1.365 ( -1.474 1.185 -4.193) 4.600 1.447 ( -0.557 3.698 0.519) 3.775 1.667 ( 0.089 -4.843 -0.140) 4.846 1.740 ( -1.377 -0.020 -1.058) 1.737 1.869 ( 1.160 1.836 0.359) 2.201 1.933 ( -0.857 -4.322 0.214) 4.412 2.548 ( 3.235 20.177 -0.117) 20.435 2.643 ( 4.752 -23.476 -0.654) 23.961 3.049 ( -6.006 10.819 -0.037) 12.374 3.436 ( 1.780 -4.623 -0.322) 4.964 3.620 ( 10.373 -16.607 -0.017) 19.580 3.991 ( -8.173 -12.301 -0.081) 14.769 5.037 ( 7.521 -7.731 -0.093) 10.786 7.536 ( -2.527 2.466 -0.028) 3.531 7.718 ( 0.259 6.869 -0.066) 6.874 7.991 ( 1.264 -1.190 0.001) 1.736 8.046 ( -1.293 -0.948 0.036) 1.604 8.692 ( -3.609 4.185 0.054) 5.526 8.874 ( -0.492 2.216 0.097) 2.273 8.944 ( -0.217 -0.583 0.658) 0.905 8.997 ( -0.841 7.760 -0.272) 7.810 9.171 ( 0.521 -0.299 0.011) 0.601 9.216 ( -0.173 -0.883 -0.699) 1.140 10.013 ( -1.805 5.604 -0.013) 5.888 10.479 ( 1.604 -6.013 -0.468) 6.241 ======================= Grid point 364 (143/171) ======================= q-point: ( 0.90 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -0.771 10.917 -0.000) 10.944 1.378 ( -1.744 2.573 -0.000) 3.108 1.461 ( -3.212 6.724 -0.000) 7.452 1.483 ( -1.309 1.866 -0.000) 2.280 1.644 ( -2.799 -0.523 -0.000) 2.847 1.755 ( -1.092 -0.220 -0.000) 1.114 1.878 ( 0.393 3.098 -0.000) 3.123 1.913 ( -1.960 -4.449 0.000) 4.861 2.337 ( 6.653 -20.056 0.000) 21.130 2.649 ( 3.573 14.097 -0.000) 14.543 3.263 ( 3.274 -5.986 0.000) 6.823 3.309 ( -0.725 1.238 -0.000) 1.434 3.356 ( 2.793 -3.660 0.000) 4.604 4.034 ( -8.669 -6.406 0.000) 10.779 4.798 ( 12.650 -7.829 0.000) 14.876 7.611 ( -4.033 2.004 -0.000) 4.504 7.766 ( 0.941 5.362 -0.000) 5.444 7.941 ( 2.133 -3.166 0.000) 3.818 8.071 ( -1.715 0.505 -0.000) 1.788 8.800 ( -4.855 3.586 -0.000) 6.036 8.901 ( -0.600 1.469 -0.000) 1.587 8.945 ( -0.283 -0.526 0.000) 0.597 9.072 ( -1.148 4.914 -0.000) 5.046 9.159 ( 0.603 -0.291 0.000) 0.670 9.200 ( 0.392 -1.678 0.000) 1.724 10.106 ( -3.215 5.259 -0.000) 6.164 10.388 ( 2.791 -5.382 0.000) 6.063 ======================= Grid point 374 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -0.000 8.966 0.000) 8.966 1.131 ( -0.000 11.226 0.000) 11.226 1.336 ( 0.000 -0.059 0.000) 0.059 1.391 ( -0.000 6.982 0.000) 6.982 1.716 ( 0.000 -5.033 -0.000) 5.033 1.723 ( -0.000 0.213 0.000) 0.213 1.866 ( -0.000 1.647 0.000) 1.647 1.967 ( 0.000 -3.796 0.000) 3.796 2.367 ( -0.000 20.999 0.000) 20.999 2.911 ( 0.000 -24.017 0.000) 24.017 2.920 ( -0.000 7.215 0.000) 7.215 3.495 ( 0.000 -5.238 0.000) 5.238 3.869 ( 0.000 -13.342 0.000) 13.342 4.029 ( 0.000 -13.303 0.000) 13.303 5.177 ( 0.000 -9.397 0.000) 9.397 7.489 ( -0.000 2.847 0.000) 2.847 7.650 ( -0.000 7.300 0.000) 7.300 8.001 ( -0.000 0.326 0.000) 0.326 8.053 ( 0.000 -1.904 0.000) 1.904 8.619 ( -0.000 4.728 0.000) 4.728 8.845 ( -0.000 2.962 0.000) 2.962 8.904 ( -0.000 9.739 0.000) 9.739 8.953 ( 0.000 -0.985 0.000) 0.985 9.179 ( 0.000 -0.338 0.000) 0.338 9.214 ( -0.000 0.054 0.000) 0.054 9.947 ( -0.000 5.161 0.000) 5.161 10.550 ( 0.000 -6.316 0.000) 6.316 ======================= Grid point 392 (145/171) ======================= q-point: ( 0.40 0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 2.344 0.000 -1.343) 2.701 1.402 ( -0.866 0.000 1.258) 1.528 1.468 ( 0.934 0.000 1.756) 1.989 1.578 ( 7.000 0.000 0.019) 7.000 1.755 ( 8.257 0.000 -0.682) 8.285 1.876 ( -0.589 -0.000 1.979) 2.065 1.926 ( -1.416 0.000 -0.250) 1.438 1.969 ( 5.003 0.000 -0.193) 5.007 2.147 ( -16.252 -0.000 -0.190) 16.253 2.744 ( 9.002 0.000 0.133) 9.003 2.934 ( -15.344 -0.000 0.098) 15.345 3.309 ( -1.541 -0.000 0.459) 1.607 3.479 ( 7.705 -0.000 -0.046) 7.705 4.186 ( 10.996 -0.000 -0.057) 10.996 4.491 ( -15.388 0.000 0.354) 15.392 7.701 ( 3.008 -0.000 -0.152) 3.011 7.820 ( 3.356 -0.000 0.066) 3.357 7.825 ( -3.743 0.000 0.088) 3.744 8.105 ( -0.470 0.000 -0.063) 0.474 8.901 ( -0.061 0.000 -0.181) 0.191 8.903 ( 2.420 -0.000 0.429) 2.458 8.961 ( -0.197 -0.000 0.000) 0.197 9.136 ( 2.218 0.000 0.161) 2.224 9.145 ( -2.701 0.000 -0.596) 2.766 9.202 ( 1.264 -0.000 0.608) 1.403 10.231 ( 5.966 0.000 0.989) 6.047 10.301 ( -5.121 -0.000 -0.599) 5.156 ======================= Grid point 403 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 1.298 0.288 -0.425) 1.396 1.376 ( -2.408 2.072 0.073) 3.177 1.454 ( -1.791 1.712 0.086) 2.479 1.672 ( 1.879 0.860 2.015) 2.887 1.778 ( -0.301 7.346 -1.370) 7.479 1.835 ( -2.516 4.083 0.703) 4.847 1.893 ( -2.320 -1.554 0.559) 2.847 1.926 ( -4.989 1.425 -0.775) 5.246 2.166 ( 7.884 -11.829 0.692) 14.232 2.734 ( -2.541 8.197 -0.004) 8.582 2.971 ( 8.313 -14.074 0.018) 16.346 3.323 ( 1.786 -1.980 0.219) 2.676 3.494 ( -2.761 5.456 0.059) 6.115 4.181 ( -5.495 9.041 0.113) 10.580 4.512 ( 9.369 -12.911 0.026) 15.952 7.695 ( -2.782 1.594 0.019) 3.207 7.788 ( 0.234 1.736 -0.029) 1.752 7.881 ( 2.800 -2.136 0.078) 3.523 8.090 ( -1.000 0.610 -0.056) 1.172 8.889 ( -1.033 0.685 -0.064) 1.241 8.892 ( -2.595 2.203 0.111) 3.406 8.947 ( -0.835 0.600 -0.177) 1.043 9.117 ( 0.160 1.810 -0.079) 1.819 9.157 ( 0.406 -0.240 0.055) 0.475 9.233 ( 1.223 -1.390 0.362) 1.886 10.201 ( -2.766 4.945 -0.060) 5.667 10.350 ( 3.711 -4.974 0.421) 6.220 ======================= Grid point 404 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 2.419 -0.000 0.000) 2.419 1.412 ( -1.111 -0.000 -0.000) 1.111 1.482 ( -1.033 -0.000 -0.000) 1.033 1.577 ( 9.186 -0.000 0.000) 9.186 1.749 ( 7.659 -0.000 0.000) 7.659 1.893 ( -1.362 -0.000 -0.000) 1.362 1.924 ( -1.252 -0.000 -0.000) 1.252 1.966 ( 6.876 -0.000 0.000) 6.876 2.146 ( -16.542 0.000 -0.000) 16.542 2.745 ( 8.900 0.000 0.000) 8.900 2.934 ( -15.366 -0.000 -0.000) 15.366 3.312 ( -1.574 -0.000 -0.000) 1.574 3.479 ( 7.785 -0.000 0.000) 7.785 4.185 ( 10.966 -0.000 0.000) 10.966 4.493 ( -15.391 0.000 -0.000) 15.391 7.700 ( 3.031 -0.000 0.000) 3.031 7.821 ( 3.462 0.000 0.000) 3.462 7.825 ( -3.792 -0.000 -0.000) 3.792 8.105 ( -0.514 -0.000 -0.000) 0.514 8.900 ( -0.124 -0.000 -0.000) 0.124 8.907 ( 2.688 -0.000 0.000) 2.688 8.961 ( -0.648 -0.000 -0.000) 0.648 9.137 ( 2.170 -0.000 0.000) 2.170 9.141 ( -2.498 -0.000 -0.000) 2.498 9.207 ( 1.348 -0.000 0.000) 1.348 10.238 ( 5.924 0.000 0.000) 5.924 10.297 ( -4.949 -0.000 -0.000) 4.949 ======================= Grid point 414 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -6.007 9.190 -0.000) 10.979 1.310 ( -2.823 7.260 -0.000) 7.789 1.382 ( -0.815 3.932 -0.000) 4.015 1.647 ( -4.075 -2.115 -0.000) 4.591 1.666 ( 0.843 7.179 -0.000) 7.228 1.825 ( 0.775 -0.108 0.000) 0.783 1.878 ( -1.291 -0.551 -0.000) 1.404 1.891 ( -1.529 -1.408 0.000) 2.078 2.435 ( 7.122 -18.019 0.000) 19.375 2.651 ( 4.603 13.807 -0.000) 14.554 3.266 ( 4.832 -8.969 0.000) 10.188 3.325 ( -2.080 4.131 -0.000) 4.625 3.395 ( 3.447 -3.437 0.000) 4.868 4.049 ( -8.531 -5.724 0.000) 10.273 4.805 ( 13.156 -7.901 0.000) 15.346 7.617 ( -4.202 1.843 -0.000) 4.589 7.770 ( 0.662 4.390 -0.000) 4.440 7.944 ( 2.286 -2.265 0.000) 3.218 8.064 ( -1.334 0.528 -0.000) 1.434 8.795 ( -5.112 3.399 -0.000) 6.139 8.866 ( -1.002 1.004 -0.000) 1.419 8.924 ( -0.809 1.436 -0.000) 1.648 9.090 ( 0.347 5.505 -0.000) 5.516 9.162 ( 0.124 -0.219 0.000) 0.252 9.269 ( 0.902 -2.205 0.000) 2.383 10.108 ( -2.156 6.346 -0.000) 6.703 10.456 ( 2.792 -6.021 0.000) 6.637 ======================= Grid point 424 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.000 13.208 -0.000) 13.208 1.244 ( -0.000 14.789 -0.000) 14.789 1.384 ( -0.000 0.798 -0.000) 0.798 1.547 ( 0.000 -7.965 0.000) 7.965 1.722 ( -0.000 4.355 -0.000) 4.355 1.836 ( -0.000 2.702 -0.000) 2.702 1.848 ( -0.000 0.068 -0.000) 0.068 1.867 ( 0.000 -0.567 0.000) 0.567 2.545 ( 0.000 -22.016 0.000) 22.016 2.863 ( -0.000 23.318 -0.000) 23.318 3.078 ( -0.000 9.878 -0.000) 9.878 3.468 ( 0.000 -2.961 0.000) 2.961 3.607 ( 0.000 -13.552 0.000) 13.552 3.736 ( 0.000 -19.385 0.000) 19.385 5.067 ( 0.000 -4.336 0.000) 4.336 7.536 ( -0.000 1.701 -0.000) 1.701 7.784 ( -0.000 5.757 -0.000) 5.757 8.005 ( 0.000 -2.088 0.000) 2.088 8.014 ( -0.000 0.099 -0.000) 0.099 8.686 ( -0.000 2.971 -0.000) 2.971 8.848 ( -0.000 1.167 -0.000) 1.167 8.910 ( -0.000 1.763 -0.000) 1.763 9.099 ( -0.000 7.448 -0.000) 7.448 9.163 ( 0.000 -0.273 0.000) 0.273 9.285 ( 0.000 -2.418 0.000) 2.418 10.073 ( -0.000 6.953 -0.000) 6.953 10.501 ( 0.000 -6.314 0.000) 6.314 ======================= Grid point 425 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -3.149 9.878 0.205) 10.370 1.345 ( -0.300 3.755 0.970) 3.890 1.403 ( -0.630 2.846 0.002) 2.915 1.508 ( -5.436 -6.984 -0.405) 8.860 1.762 ( 1.297 8.301 -2.370) 8.730 1.841 ( 0.997 0.359 -0.175) 1.074 1.864 ( -0.161 0.083 -0.439) 0.475 1.867 ( -0.806 0.279 1.678) 1.883 2.333 ( 2.194 -16.612 -0.863) 16.778 2.947 ( 10.999 18.925 -0.102) 21.889 3.261 ( 1.055 -2.069 -0.004) 2.323 3.329 ( 2.564 -3.860 -0.141) 4.636 3.423 ( 2.687 -1.655 -0.347) 3.175 3.754 ( -15.252 -12.269 -0.131) 19.575 4.957 ( 9.601 -2.425 -0.124) 9.903 7.571 ( -2.766 0.883 -0.019) 2.903 7.825 ( 0.770 3.780 0.132) 3.860 7.959 ( 2.216 -1.902 -0.137) 2.923 8.039 ( -1.992 0.001 -0.018) 1.992 8.741 ( -3.901 1.607 0.051) 4.219 8.862 ( -0.538 0.592 0.270) 0.844 8.926 ( -0.385 0.860 -0.032) 0.942 9.154 ( 0.834 5.058 -0.179) 5.130 9.162 ( 0.052 -0.019 0.039) 0.068 9.254 ( 0.322 -2.840 -0.425) 2.890 10.138 ( -0.933 4.851 -0.204) 4.944 10.436 ( 1.346 -4.531 -0.402) 4.744 ======================= Grid point 426 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -0.342 0.000 -0.446) 0.562 1.369 ( -0.256 -0.000 1.710) 1.729 1.437 ( -1.483 -0.000 -0.009) 1.483 1.610 ( -8.747 0.000 -0.798) 8.784 1.776 ( -2.015 0.000 -3.858) 4.352 1.831 ( 0.601 0.000 -0.524) 0.798 1.867 ( -0.376 0.000 -0.453) 0.588 1.892 ( -0.509 -0.000 3.157) 3.197 2.187 ( 4.311 0.000 -1.988) 4.747 2.892 ( 11.075 0.000 -0.108) 11.076 3.004 ( 7.782 0.000 0.044) 7.782 3.357 ( 3.602 0.000 -0.516) 3.639 3.460 ( -5.183 -0.000 -0.189) 5.186 3.967 ( -17.393 -0.000 -0.307) 17.395 4.727 ( 16.788 0.000 -0.083) 16.788 7.634 ( -4.409 -0.000 -0.062) 4.409 7.827 ( 1.681 -0.000 0.324) 1.712 7.907 ( 2.433 0.000 -0.390) 2.464 8.071 ( -1.738 -0.000 0.068) 1.739 8.829 ( -5.472 -0.000 0.023) 5.472 8.879 ( -0.870 -0.000 0.423) 0.967 8.938 ( -0.707 -0.000 0.013) 0.707 9.154 ( 2.108 0.000 -0.147) 2.113 9.159 ( 0.140 0.000 -0.033) 0.144 9.230 ( 0.171 0.000 -0.793) 0.812 10.185 ( -2.160 -0.000 -0.190) 2.169 10.375 ( 2.885 0.000 -0.779) 2.988 ======================= Grid point 436 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -0.000 12.774 1.421) 12.853 1.248 ( -0.000 15.247 0.498) 15.255 1.389 ( 0.000 0.632 0.758) 0.987 1.535 ( 0.000 -7.041 -1.629) 7.228 1.707 ( -0.000 2.683 -1.847) 3.257 1.836 ( -0.000 2.807 -0.491) 2.850 1.853 ( 0.000 -0.534 0.547) 0.764 1.867 ( 0.000 0.170 0.332) 0.373 2.536 ( 0.000 -22.183 -1.305) 22.221 2.858 ( -0.000 23.468 -0.675) 23.477 3.078 ( -0.000 9.894 0.104) 9.895 3.463 ( 0.000 -2.987 -0.709) 3.071 3.607 ( 0.000 -13.561 0.028) 13.561 3.734 ( 0.000 -19.450 -0.326) 19.453 5.065 ( 0.000 -4.345 -0.292) 4.355 7.536 ( -0.000 1.704 -0.023) 1.704 7.785 ( -0.000 5.885 0.089) 5.886 8.005 ( 0.000 -2.223 -0.039) 2.223 8.013 ( -0.000 0.106 -0.111) 0.153 8.687 ( -0.000 2.972 0.108) 2.974 8.853 ( 0.000 1.060 0.645) 1.241 8.910 ( -0.000 1.702 0.007) 1.702 9.097 ( -0.000 7.383 -0.362) 7.392 9.164 ( 0.000 -0.280 0.114) 0.302 9.278 ( 0.000 -2.349 -0.909) 2.519 10.071 ( -0.000 6.803 -0.296) 6.810 10.495 ( 0.000 -6.224 -0.862) 6.284 ======================= Grid point 437 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -2.427 8.783 0.681) 9.137 1.370 ( -0.883 5.362 2.036) 5.803 1.404 ( -0.239 1.969 0.452) 2.035 1.497 ( -5.017 -5.067 -1.113) 7.217 1.712 ( 0.345 3.937 -4.013) 5.633 1.834 ( 0.606 0.111 -1.001) 1.176 1.854 ( -0.242 0.215 -0.613) 0.694 1.897 ( -0.012 3.208 2.025) 3.794 2.310 ( 2.223 -17.240 -2.226) 17.525 2.944 ( 10.820 19.074 -0.273) 21.931 3.260 ( 0.843 -1.729 -0.009) 1.923 3.325 ( 2.810 -4.302 -0.366) 5.151 3.413 ( 2.567 -1.683 -0.912) 3.202 3.750 ( -15.242 -12.303 -0.341) 19.591 4.954 ( 9.492 -2.429 -0.316) 9.803 7.570 ( -2.741 0.889 -0.048) 2.882 7.829 ( 0.832 4.112 0.323) 4.208 7.955 ( 2.228 -2.203 -0.334) 3.151 8.039 ( -2.091 -0.023 -0.044) 2.092 8.742 ( -3.877 1.615 0.136) 4.202 8.870 ( -0.492 0.503 0.734) 1.016 8.925 ( -0.417 0.785 -0.005) 0.889 9.148 ( 0.735 5.083 -0.554) 5.165 9.163 ( 0.104 -0.069 0.095) 0.157 9.242 ( 0.284 -2.823 -1.158) 3.065 10.133 ( -1.084 4.647 -0.523) 4.800 10.425 ( 1.382 -4.374 -1.043) 4.704 ======================= Grid point 438 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -0.356 0.000 -0.682) 0.769 1.403 ( 0.605 -0.000 2.896) 2.958 1.437 ( -1.451 -0.000 0.028) 1.451 1.591 ( -5.755 0.000 -1.963) 6.080 1.725 ( -5.504 0.000 -2.994) 6.265 1.819 ( 0.026 0.000 -1.300) 1.300 1.860 ( -0.447 0.000 -0.502) 0.672 1.933 ( 0.063 -0.000 2.450) 2.450 2.148 ( 4.229 0.000 -3.291) 5.358 2.890 ( 10.971 0.000 -0.183) 10.972 3.005 ( 7.730 0.000 0.086) 7.730 3.347 ( 3.423 0.000 -0.842) 3.525 3.457 ( -5.271 -0.000 -0.305) 5.280 3.961 ( -17.346 -0.000 -0.497) 17.353 4.725 ( 16.593 0.000 -0.122) 16.593 7.633 ( -4.378 -0.000 -0.102) 4.379 7.833 ( 1.799 -0.000 0.539) 1.878 7.900 ( 2.365 0.000 -0.652) 2.453 8.072 ( -1.850 -0.000 0.126) 1.855 8.829 ( -5.302 -0.000 0.097) 5.303 8.888 ( -0.765 -0.000 0.763) 1.080 8.939 ( -0.816 -0.000 0.025) 0.816 9.150 ( 1.825 0.000 -0.313) 1.852 9.159 ( 0.235 0.000 -0.096) 0.254 9.214 ( 0.086 0.000 -1.347) 1.350 10.182 ( -2.579 0.000 -0.292) 2.595 10.359 ( 3.004 0.000 -1.251) 3.254 ======================= Grid point 448 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -0.000 11.536 2.668) 11.840 1.255 ( -0.000 15.886 0.241) 15.888 1.407 ( -0.000 0.745 1.768) 1.918 1.501 ( -0.000 -4.756 -2.922) 5.582 1.675 ( 0.000 -0.408 -2.314) 2.350 1.816 ( 0.000 1.652 -2.141) 2.705 1.863 ( 0.000 -1.868 0.797) 2.031 1.879 ( -0.000 2.259 0.975) 2.460 2.510 ( -0.000 -22.647 -2.054) 22.740 2.845 ( -0.000 23.857 -1.078) 23.882 3.080 ( 0.000 9.938 0.167) 9.940 3.449 ( -0.000 -3.057 -1.152) 3.266 3.608 ( -0.000 -13.586 0.046) 13.586 3.728 ( -0.000 -19.622 -0.529) 19.629 5.059 ( -0.000 -4.372 -0.456) 4.395 7.535 ( -0.000 1.711 -0.036) 1.712 7.787 ( 0.000 6.214 0.108) 6.215 8.004 ( 0.000 -2.559 -0.029) 2.559 8.011 ( 0.000 0.123 -0.177) 0.216 8.689 ( 0.000 2.976 0.172) 2.981 8.866 ( -0.000 0.906 0.971) 1.328 8.912 ( -0.000 1.422 0.282) 1.450 9.089 ( 0.000 7.202 -0.715) 7.237 9.167 ( 0.000 -0.298 0.185) 0.351 9.259 ( 0.000 -2.151 -1.592) 2.676 10.065 ( 0.000 6.414 -0.466) 6.431 10.478 ( -0.000 -5.998 -1.370) 6.153 ======================= Grid point 449 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -1.311 6.907 1.019) 7.103 1.387 ( -1.481 7.763 0.241) 7.907 1.429 ( 0.230 0.898 2.924) 3.068 1.477 ( -4.498 -1.983 -1.469) 5.130 1.654 ( -0.406 0.684 -3.831) 3.912 1.808 ( -0.221 -0.095 -2.413) 2.425 1.851 ( -0.122 -0.816 0.040) 0.826 1.921 ( 0.426 5.163 1.239) 5.327 2.274 ( 2.277 -18.259 -2.651) 18.591 2.940 ( 10.512 19.305 -0.351) 21.984 3.260 ( 0.494 -1.146 -0.006) 1.248 3.319 ( 3.221 -5.058 -0.445) 6.013 3.398 ( 2.375 -1.726 -1.135) 3.148 3.745 ( -15.221 -12.358 -0.419) 19.610 4.949 ( 9.316 -2.437 -0.375) 9.637 7.570 ( -2.699 0.900 -0.060) 2.846 7.834 ( 0.945 4.687 0.341) 4.794 7.950 ( 2.238 -2.723 -0.348) 3.542 8.038 ( -2.255 -0.059 -0.049) 2.256 8.745 ( -3.854 1.626 0.177) 4.186 8.882 ( -0.430 0.442 0.954) 1.136 8.927 ( -0.418 0.582 0.180) 0.739 9.138 ( 0.539 5.044 -0.862) 5.146 9.164 ( 0.213 -0.132 0.097) 0.268 9.222 ( 0.206 -2.734 -1.535) 3.142 10.124 ( -1.328 4.324 -0.625) 4.566 10.408 ( 1.442 -4.129 -1.274) 4.555 ======================= Grid point 450 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.271 0.000 -0.703) 0.754 1.439 ( -1.480 -0.000 0.191) 1.492 1.449 ( 1.024 -0.000 3.286) 3.442 1.555 ( -2.292 0.000 -2.839) 3.649 1.692 ( -9.035 0.000 -1.514) 9.161 1.794 ( -0.595 0.000 -1.951) 2.040 1.854 ( -0.671 0.000 -0.270) 0.723 1.963 ( 0.275 -0.000 1.631) 1.654 2.098 ( 4.171 0.000 -3.401) 5.382 2.887 ( 10.845 0.000 -0.193) 10.846 3.006 ( 7.640 0.000 0.105) 7.641 3.334 ( 3.205 0.000 -0.854) 3.317 3.452 ( -5.374 -0.000 -0.303) 5.382 3.953 ( -17.285 -0.000 -0.499) 17.292 4.724 ( 16.353 0.000 -0.108) 16.354 7.632 ( -4.338 -0.000 -0.102) 4.339 7.841 ( 1.944 -0.000 0.559) 2.023 7.890 ( 2.297 0.000 -0.674) 2.394 8.074 ( -2.004 -0.000 0.144) 2.009 8.832 ( -5.237 -0.000 0.197) 5.240 8.900 ( -0.652 -0.000 0.890) 1.103 8.939 ( -0.721 -0.000 -0.009) 0.721 9.145 ( 1.379 0.000 -0.395) 1.434 9.156 ( 0.316 0.000 -0.220) 0.386 9.194 ( 0.032 0.000 -1.383) 1.383 10.177 ( -3.087 -0.000 -0.274) 3.100 10.341 ( 3.152 0.000 -1.238) 3.386 ======================= Grid point 460 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.000 9.659 3.614) 10.313 1.254 ( -0.000 15.728 -0.220) 15.730 1.438 ( -0.000 1.786 2.286) 2.901 1.452 ( -0.000 -1.913 -3.794) 4.249 1.644 ( 0.000 -3.134 -1.827) 3.627 1.779 ( 0.000 0.995 -2.739) 2.914 1.874 ( 0.000 -3.180 0.717) 3.260 1.891 ( -0.000 3.010 0.707) 3.092 2.480 ( -0.000 -23.264 -1.971) 23.347 2.829 ( -0.000 24.342 -1.061) 24.365 3.083 ( 0.000 9.991 0.166) 9.993 3.432 ( -0.000 -3.143 -1.157) 3.349 3.609 ( -0.000 -13.615 0.047) 13.615 3.720 ( -0.000 -19.837 -0.532) 19.845 5.053 ( -0.000 -4.412 -0.436) 4.433 7.535 ( -0.000 1.721 -0.036) 1.721 7.788 ( 0.000 6.603 0.063) 6.603 8.004 ( 0.000 -2.934 0.018) 2.935 8.009 ( 0.000 0.144 -0.175) 0.227 8.692 ( 0.000 2.981 0.170) 2.986 8.879 ( -0.000 1.106 0.762) 1.343 8.920 ( -0.000 0.683 0.791) 1.045 9.077 ( 0.000 6.953 -0.885) 7.009 9.169 ( 0.000 -0.321 0.185) 0.370 9.234 ( 0.000 -1.861 -1.791) 2.583 10.059 ( 0.000 5.941 -0.451) 5.958 10.458 ( -0.000 -5.737 -1.341) 5.892 ======================= Grid point 461 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.166 4.779 0.887) 4.864 1.387 ( -1.442 8.004 0.020) 8.133 1.455 ( -4.466 1.570 -1.180) 4.879 1.476 ( 0.140 1.934 2.724) 3.344 1.607 ( -0.979 -1.891 -2.531) 3.307 1.770 ( -0.700 -0.063 -2.652) 2.744 1.852 ( -0.376 -2.181 0.129) 2.217 1.933 ( 0.730 6.270 0.458) 6.329 2.239 ( 2.338 -19.181 -2.014) 19.428 2.935 ( 10.179 19.523 -0.293) 22.019 3.260 ( 0.132 -0.512 -0.001) 0.529 3.313 ( 3.652 -5.878 -0.353) 6.928 3.382 ( 2.188 -1.767 -0.926) 2.961 3.739 ( -15.194 -12.412 -0.336) 19.622 4.944 ( 9.141 -2.449 -0.291) 9.468 7.569 ( -2.658 0.910 -0.048) 2.810 7.838 ( 1.078 5.277 0.211) 5.390 7.946 ( 2.231 -3.252 -0.208) 3.949 8.037 ( -2.420 -0.091 -0.035) 2.422 8.747 ( -3.857 1.636 0.153) 4.193 8.896 ( -0.388 0.592 0.786) 1.058 8.931 ( -0.329 0.163 0.360) 0.515 9.125 ( 0.299 4.907 -0.855) 4.990 9.165 ( 0.366 -0.222 0.031) 0.429 9.201 ( 0.079 -2.508 -1.328) 2.839 10.116 ( -1.570 4.010 -0.487) 4.334 10.390 ( 1.505 -3.896 -1.017) 4.298 ======================= Grid point 462 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.872 0.000 -0.451) 0.981 1.443 ( -1.722 -0.000 0.446) 1.779 1.493 ( 1.320 -0.000 2.426) 2.761 1.516 ( -0.427 0.000 -2.284) 2.324 1.678 ( -10.654 -0.000 -0.567) 10.669 1.767 ( -1.039 0.000 -1.681) 1.976 1.852 ( -1.021 -0.000 -0.080) 1.024 1.981 ( 0.349 -0.000 0.815) 0.887 2.056 ( 4.185 0.000 -2.174) 4.716 2.885 ( 10.745 0.000 -0.124) 10.746 3.007 ( 7.546 0.000 0.075) 7.546 3.324 ( 3.032 0.000 -0.535) 3.079 3.449 ( -5.452 -0.000 -0.186) 5.455 3.947 ( -17.233 -0.000 -0.309) 17.236 4.722 ( 16.160 0.000 -0.060) 16.160 7.630 ( -4.305 -0.000 -0.063) 4.305 7.848 ( 2.062 -0.000 0.357) 2.092 7.881 ( 2.255 0.000 -0.426) 2.295 8.076 ( -2.137 -0.000 0.096) 2.140 8.835 ( -5.332 -0.000 0.188) 5.336 8.912 ( -0.578 -0.000 0.637) 0.861 8.938 ( -0.409 0.000 -0.045) 0.412 9.140 ( 0.922 0.000 -0.279) 0.963 9.152 ( 0.244 0.000 -0.357) 0.432 9.178 ( 0.143 0.000 -0.739) 0.753 10.174 ( -3.492 -0.000 -0.160) 3.496 10.326 ( 3.270 0.000 -0.759) 3.357 ======================= Grid point 464 (161/171) ======================= q-point: ( 1.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 1.109 0.000 -0.000) 1.109 1.448 ( -2.123 -0.000 0.000) 2.123 1.497 ( 0.353 0.000 -0.000) 0.353 1.512 ( 1.467 0.000 -0.000) 1.467 1.674 ( -11.024 -0.000 0.000) 11.024 1.753 ( -1.233 -0.000 0.000) 1.233 1.851 ( -1.199 -0.000 0.000) 1.199 1.986 ( 0.366 0.000 -0.000) 0.366 2.040 ( 4.216 0.000 -0.000) 4.216 2.884 ( 10.708 0.000 -0.000) 10.708 3.008 ( 7.505 0.000 -0.000) 7.505 3.320 ( 2.967 0.000 -0.000) 2.967 3.447 ( -5.481 -0.000 0.000) 5.481 3.945 ( -17.213 -0.000 0.000) 17.213 4.722 ( 16.086 0.000 -0.000) 16.086 7.630 ( -4.292 -0.000 0.000) 4.292 7.851 ( 2.107 0.000 -0.000) 2.107 7.878 ( 2.241 0.000 -0.000) 2.241 8.077 ( -2.191 -0.000 0.000) 2.191 8.836 ( -5.415 -0.000 0.000) 5.415 8.917 ( -0.555 -0.000 0.000) 0.555 8.938 ( -0.219 -0.000 0.000) 0.219 9.138 ( 0.721 0.000 -0.000) 0.721 9.149 ( 0.138 0.000 -0.000) 0.138 9.172 ( 0.268 0.000 -0.000) 0.268 10.173 ( -3.645 -0.000 0.000) 3.645 10.320 ( 3.315 0.000 -0.000) 3.315 ======================= Grid point 475 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -0.000 15.130 -0.257) 15.132 1.266 ( -0.000 7.418 4.190) 8.520 1.393 ( -0.000 0.932 -4.273) 4.373 1.467 ( -0.000 2.973 1.595) 3.374 1.625 ( -0.000 -4.604 -0.766) 4.668 1.742 ( 0.000 0.395 -2.165) 2.200 1.882 ( 0.000 -4.055 0.412) 4.076 1.899 ( -0.000 3.037 0.322) 3.054 2.457 ( -0.000 -23.790 -1.170) 23.818 2.816 ( -0.000 24.739 -0.648) 24.748 3.085 ( 0.000 10.033 0.101) 10.034 3.418 ( -0.000 -3.213 -0.717) 3.292 3.609 ( -0.000 -13.638 0.029) 13.638 3.713 ( -0.000 -20.014 -0.331) 20.016 5.047 ( -0.000 -4.450 -0.260) 4.457 7.534 ( -0.000 1.728 -0.022) 1.728 7.788 ( 0.000 6.896 0.016) 6.896 8.005 ( 0.000 -3.201 0.038) 3.202 8.006 ( 0.000 0.161 -0.107) 0.194 8.694 ( 0.000 2.985 0.104) 2.987 8.887 ( -0.000 1.509 0.368) 1.553 8.932 ( -0.000 -0.184 0.796) 0.817 9.065 ( 0.000 6.737 -0.643) 6.767 9.172 ( 0.000 -0.339 0.114) 0.357 9.211 ( 0.000 -1.572 -1.251) 2.009 10.053 ( 0.000 5.566 -0.271) 5.573 10.441 ( -0.000 -5.541 -0.814) 5.600 ======================= Grid point 476 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 1.490 3.645 0.310) 3.950 1.389 ( -1.426 7.138 0.151) 7.281 1.440 ( -5.152 4.427 -0.603) 6.820 1.505 ( 0.313 2.995 0.956) 3.159 1.585 ( -1.214 -3.560 -0.501) 3.794 1.739 ( -0.998 -0.071 -1.347) 1.678 1.854 ( -0.589 -3.035 0.060) 3.093 1.936 ( 0.916 6.677 0.064) 6.740 2.218 ( 2.376 -19.614 -0.725) 19.771 2.932 ( 9.962 19.649 -0.114) 22.030 3.260 ( -0.102 -0.087 0.000) 0.134 3.310 ( 3.931 -6.423 -0.133) 7.532 3.373 ( 2.076 -1.788 -0.356) 2.763 3.736 ( -15.174 -12.444 -0.128) 19.625 4.941 ( 9.033 -2.457 -0.108) 9.362 7.568 ( -2.632 0.917 -0.018) 2.787 7.840 ( 1.173 5.622 0.062) 5.743 7.944 ( 2.216 -3.556 -0.058) 4.190 8.037 ( -2.523 -0.109 -0.013) 2.526 8.749 ( -3.877 1.643 0.062) 4.211 8.904 ( -0.366 0.860 0.294) 0.980 8.935 ( -0.221 -0.281 0.212) 0.416 9.115 ( 0.129 4.760 -0.369) 4.776 9.165 ( 0.510 -0.396 -0.037) 0.647 9.187 ( -0.062 -2.175 -0.500) 2.233 10.111 ( -1.718 3.822 -0.182) 4.194 10.380 ( 1.544 -3.758 -0.385) 4.081 ======================= Grid point 487 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.000 14.823 0.000) 14.823 1.324 ( -0.000 8.527 0.000) 8.527 1.336 ( -0.000 0.023 -0.000) 0.023 1.479 ( -0.000 3.379 0.000) 3.379 1.620 ( 0.000 -4.821 -0.000) 4.821 1.725 ( -0.000 0.019 0.000) 0.019 1.885 ( 0.000 -4.355 0.000) 4.355 1.901 ( -0.000 2.958 0.000) 2.958 2.448 ( 0.000 -23.994 0.000) 23.994 2.811 ( -0.000 24.893 0.000) 24.893 3.086 ( -0.000 10.049 0.000) 10.049 3.412 ( 0.000 -3.240 0.000) 3.240 3.609 ( 0.000 -13.646 0.000) 13.646 3.711 ( 0.000 -20.081 0.000) 20.081 5.045 ( 0.000 -4.465 0.000) 4.465 7.534 ( -0.000 1.731 0.000) 1.731 7.789 ( -0.000 7.002 0.000) 7.002 8.005 ( 0.000 -3.294 0.000) 3.294 8.006 ( -0.000 0.168 0.000) 0.168 8.694 ( -0.000 2.987 0.000) 2.987 8.889 ( -0.000 1.665 0.000) 1.665 8.939 ( 0.000 -0.536 0.000) 0.536 9.060 ( -0.000 6.655 0.000) 6.655 9.172 ( 0.000 -0.346 0.000) 0.346 9.201 ( 0.000 -1.441 0.000) 1.441 10.051 ( -0.000 5.425 0.000) 5.425 10.435 ( 0.000 -5.469 0.000) 5.469 ======================= Grid point 529 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.934 -0.000 0.000) 0.934 1.356 ( -1.860 -0.000 -0.000) 1.860 1.437 ( -1.501 -0.000 -0.000) 1.501 1.616 ( -9.696 -0.000 -0.000) 9.696 1.820 ( 0.747 -0.000 0.000) 0.747 1.835 ( 0.811 0.000 0.000) 0.811 1.854 ( -2.350 -0.000 -0.000) 2.350 1.871 ( -0.342 -0.000 -0.000) 0.342 2.202 ( 4.349 -0.000 0.000) 4.349 2.893 ( 11.116 -0.000 0.000) 11.116 3.003 ( 7.797 0.000 0.000) 7.797 3.361 ( 3.671 -0.000 0.000) 3.671 3.462 ( -5.148 -0.000 -0.000) 5.148 3.969 ( -17.410 -0.000 -0.000) 17.410 4.727 ( 16.862 0.000 0.000) 16.862 7.635 ( -4.420 -0.000 -0.000) 4.420 7.824 ( 1.636 -0.000 0.000) 1.636 7.910 ( 2.463 0.000 0.000) 2.463 8.070 ( -1.697 -0.000 -0.000) 1.697 8.828 ( -5.561 -0.000 -0.000) 5.561 8.876 ( -0.913 -0.000 -0.000) 0.913 8.938 ( -0.628 -0.000 -0.000) 0.628 9.155 ( 2.200 -0.000 0.000) 2.200 9.160 ( 0.102 -0.000 0.000) 0.102 9.236 ( 0.207 -0.000 0.000) 0.207 10.187 ( -1.999 -0.000 -0.000) 1.999 10.380 ( 2.839 -0.000 0.000) 2.839 ======================= Grid point 541 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 0.000 -0.000 0.000) 0.000 1.358 ( -0.000 0.000 -0.000) 0.000 1.399 ( -0.000 0.000 -0.000) 0.000 1.412 ( -0.000 0.000 -0.000) 0.000 1.848 ( -0.000 0.000 -0.000) 0.000 1.849 ( -0.000 0.000 -0.000) 0.000 1.851 ( -0.000 0.000 -0.000) 0.000 1.865 ( -0.000 0.000 -0.000) 0.000 2.257 ( -0.000 0.000 -0.000) 0.000 3.229 ( -0.000 0.000 -0.000) 0.000 3.274 ( -0.000 0.000 -0.000) 0.000 3.367 ( 0.000 -0.000 0.000) 0.000 3.420 ( 0.000 -0.000 0.000) 0.000 3.439 ( -0.000 0.000 -0.000) 0.000 5.027 ( -0.000 0.000 -0.000) 0.000 7.552 ( -0.000 0.000 -0.000) 0.000 7.850 ( -0.000 0.000 -0.000) 0.000 7.975 ( -0.000 0.000 -0.000) 0.000 8.015 ( -0.000 0.000 -0.000) 0.000 8.715 ( -0.000 0.000 -0.000) 0.000 8.860 ( -0.000 0.000 -0.000) 0.000 8.927 ( -0.000 0.000 -0.000) 0.000 9.161 ( -0.000 0.000 -0.000) 0.000 9.197 ( 0.000 -0.000 0.000) 0.000 9.235 ( -0.000 0.000 -0.000) 0.000 10.157 ( -0.000 0.000 -0.000) 0.000 10.424 ( -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: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 0.000 0.186) 0.186 1.373 ( 0.000 -0.000 1.934) 1.934 1.400 ( 0.000 0.000 0.204) 0.204 1.412 ( 0.000 -0.000 0.053) 0.053 1.778 ( -0.000 0.000 -5.249) 5.249 1.848 ( -0.000 0.000 -0.186) 0.186 1.856 ( -0.000 0.000 -1.318) 1.318 1.909 ( 0.000 0.000 3.665) 3.665 2.242 ( -0.000 0.000 -1.988) 1.988 3.230 ( 0.000 0.000 0.171) 0.171 3.270 ( -0.000 0.000 -0.487) 0.487 3.364 ( -0.000 -0.000 -0.442) 0.442 3.420 ( -0.000 -0.000 -0.029) 0.029 3.434 ( -0.000 0.000 -0.743) 0.743 5.025 ( -0.000 -0.000 -0.301) 0.301 7.552 ( -0.000 0.000 -0.019) 0.019 7.854 ( 0.000 0.000 0.431) 0.431 7.972 ( -0.000 -0.000 -0.383) 0.383 8.014 ( -0.000 -0.000 -0.102) 0.102 8.716 ( 0.000 0.000 0.110) 0.110 8.864 ( 0.000 0.000 0.512) 0.512 8.927 ( -0.000 0.000 -0.078) 0.078 9.161 ( 0.000 -0.000 0.105) 0.105 9.194 ( -0.000 0.000 -0.352) 0.352 9.228 ( -0.000 0.000 -0.915) 0.915 10.153 ( -0.000 0.000 -0.559) 0.559 10.419 ( -0.000 0.000 -0.670) 0.670 ======================= Grid point 565 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.000 0.000 0.302) 0.302 1.404 ( 0.000 0.000 0.329) 0.329 1.411 ( 0.000 0.000 3.313) 3.313 1.414 ( 0.000 -0.000 0.156) 0.156 1.700 ( -0.000 -0.000 -5.403) 5.403 1.828 ( -0.000 0.000 -2.420) 2.420 1.844 ( -0.000 0.000 -0.302) 0.302 1.955 ( 0.000 0.000 2.713) 2.713 2.202 ( -0.000 0.000 -3.261) 3.261 3.233 ( 0.000 0.000 0.277) 0.277 3.261 ( -0.000 0.000 -0.793) 0.793 3.355 ( -0.000 -0.000 -0.720) 0.720 3.419 ( -0.000 0.000 -1.207) 1.207 3.420 ( -0.000 -0.000 -0.047) 0.047 5.019 ( -0.000 -0.000 -0.476) 0.476 7.552 ( -0.000 0.000 -0.030) 0.030 7.862 ( 0.000 0.000 0.711) 0.711 7.965 ( -0.000 -0.000 -0.622) 0.622 8.012 ( -0.000 -0.000 -0.163) 0.163 8.718 ( 0.000 0.000 0.176) 0.176 8.874 ( 0.000 0.000 0.890) 0.890 8.926 ( 0.000 0.000 0.008) 0.008 9.163 ( 0.000 -0.000 0.170) 0.170 9.186 ( -0.000 0.000 -0.725) 0.725 9.210 ( -0.000 0.000 -1.570) 1.570 10.142 ( -0.000 0.000 -0.881) 0.881 10.406 ( -0.000 0.000 -1.075) 1.075 ======================= Grid point 577 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.000 0.000 0.302) 0.302 1.409 ( 0.000 0.000 0.328) 0.328 1.417 ( 0.000 -0.000 0.362) 0.362 1.464 ( 0.000 0.000 3.790) 3.790 1.625 ( -0.000 -0.000 -4.761) 4.761 1.788 ( -0.000 0.000 -3.020) 3.020 1.840 ( -0.000 0.000 -0.303) 0.303 1.988 ( 0.000 0.000 1.791) 1.791 2.153 ( -0.000 0.000 -3.320) 3.320 3.238 ( 0.000 0.000 0.275) 0.275 3.249 ( -0.000 0.000 -0.799) 0.799 3.345 ( -0.000 -0.000 -0.725) 0.725 3.401 ( -0.000 0.000 -1.213) 1.213 3.419 ( -0.000 -0.000 -0.047) 0.047 5.012 ( -0.000 0.000 -0.462) 0.462 7.551 ( -0.000 0.000 -0.030) 0.030 7.873 ( 0.000 0.000 0.732) 0.732 7.955 ( -0.000 -0.000 -0.626) 0.626 8.010 ( -0.000 -0.000 -0.161) 0.161 8.721 ( 0.000 0.000 0.174) 0.174 8.888 ( 0.000 0.000 0.991) 0.991 8.927 ( 0.000 0.000 0.197) 0.197 9.166 ( 0.000 -0.000 0.169) 0.169 9.174 ( -0.000 0.000 -0.939) 0.939 9.185 ( -0.000 0.000 -1.706) 1.706 10.129 ( -0.000 0.000 -0.852) 0.852 10.390 ( -0.000 0.000 -1.065) 1.065 ======================= Grid point 590 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.000 0.000 0.187) 0.187 1.413 ( 0.000 -0.000 0.202) 0.202 1.424 ( 0.000 -0.000 0.516) 0.516 1.515 ( 0.000 0.000 2.965) 2.965 1.567 ( -0.000 -0.000 -3.060) 3.060 1.746 ( -0.000 0.000 -2.548) 2.548 1.836 ( -0.000 0.000 -0.187) 0.187 2.007 ( 0.000 0.000 0.893) 0.893 2.113 ( -0.000 0.000 -2.085) 2.085 3.239 ( -0.000 0.000 -0.496) 0.496 3.241 ( 0.000 0.000 0.170) 0.170 3.336 ( -0.000 -0.000 -0.451) 0.451 3.386 ( -0.000 0.000 -0.752) 0.752 3.418 ( -0.000 -0.000 -0.029) 0.029 5.007 ( -0.000 0.000 -0.278) 0.278 7.551 ( -0.000 0.000 -0.018) 0.018 7.882 ( 0.000 0.000 0.464) 0.464 7.948 ( -0.000 0.000 -0.388) 0.388 8.008 ( -0.000 -0.000 -0.098) 0.098 8.723 ( 0.000 0.000 0.106) 0.106 8.901 ( 0.000 0.000 0.683) 0.683 8.931 ( 0.000 -0.000 0.235) 0.235 9.161 ( -0.000 0.000 -0.708) 0.708 9.164 ( -0.000 -0.000 -1.144) 1.144 9.168 ( 0.000 0.000 0.105) 0.105 10.119 ( -0.000 0.000 -0.511) 0.511 10.377 ( -0.000 0.000 -0.653) 0.653 ======================= Grid point 592 (171/171) ======================= q-point: (-1.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 -0.000 0.000) 0.000 1.415 ( 0.000 -0.000 0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.544 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.834 ( -0.000 -0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.097 ( 0.000 0.000 -0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.332 ( -0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.418 ( -0.000 0.000 0.000) 0.000 5.004 ( -0.000 0.000 0.000) 0.000 7.551 ( 0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 7.945 ( -0.000 0.000 0.000) 0.000 8.007 ( -0.000 0.000 0.000) 0.000 8.724 ( -0.000 -0.000 0.000) 0.000 8.906 ( -0.000 0.000 0.000) 0.000 8.933 ( 0.000 0.000 0.000) 0.000 9.155 ( 0.000 0.000 0.000) 0.000 9.156 ( 0.000 0.000 0.000) 0.000 9.169 ( -0.000 0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 10.372 ( 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 68.272 65.190 39.342 -0.000 -0.000 0.000 3/27000 20.0 23.903 25.570 8.039 -0.000 -0.000 0.000 3/27000 30.0 15.656 16.982 4.275 -0.000 -0.000 0.000 3/27000 40.0 12.728 13.670 2.940 -0.000 -0.000 0.000 3/27000 50.0 11.247 11.893 2.253 -0.000 -0.000 0.000 3/27000 60.0 10.235 10.667 1.832 -0.000 -0.000 0.000 3/27000 70.0 9.412 9.696 1.546 -0.000 -0.000 0.000 3/27000 80.0 8.698 8.877 1.338 -0.000 -0.000 0.000 3/27000 90.0 8.066 8.173 1.180 -0.000 -0.000 0.000 3/27000 100.0 7.505 7.560 1.056 -0.000 -0.000 0.000 3/27000 110.0 7.006 7.024 0.956 -0.000 -0.000 0.000 3/27000 120.0 6.561 6.553 0.874 -0.000 -0.000 0.000 3/27000 130.0 6.164 6.138 0.804 -0.000 -0.000 0.000 3/27000 140.0 5.809 5.769 0.746 -0.000 -0.000 0.000 3/27000 150.0 5.490 5.440 0.695 -0.000 -0.000 0.000 3/27000 160.0 5.202 5.144 0.651 -0.000 -0.000 0.000 3/27000 170.0 4.942 4.879 0.612 -0.000 -0.000 0.000 3/27000 180.0 4.705 4.638 0.578 -0.000 -0.000 0.000 3/27000 190.0 4.490 4.420 0.547 -0.000 -0.000 0.000 3/27000 200.0 4.292 4.221 0.519 -0.000 -0.000 0.000 3/27000 210.0 4.111 4.039 0.494 -0.000 -0.000 0.000 3/27000 220.0 3.944 3.871 0.472 -0.000 -0.000 0.000 3/27000 230.0 3.790 3.717 0.451 -0.000 -0.000 0.000 3/27000 240.0 3.647 3.574 0.432 -0.000 -0.000 0.000 3/27000 250.0 3.514 3.442 0.415 -0.000 -0.000 0.000 3/27000 260.0 3.391 3.319 0.399 -0.000 -0.000 0.000 3/27000 270.0 3.275 3.204 0.384 -0.000 -0.000 0.000 3/27000 280.0 3.168 3.097 0.371 -0.000 -0.000 0.000 3/27000 290.0 3.067 2.997 0.358 -0.000 -0.000 0.000 3/27000 300.0 2.972 2.903 0.346 -0.000 -0.000 0.000 3/27000 310.0 2.883 2.815 0.335 -0.000 -0.000 0.000 3/27000 320.0 2.799 2.732 0.324 -0.000 -0.000 0.000 3/27000 330.0 2.719 2.654 0.315 -0.000 -0.000 0.000 3/27000 340.0 2.644 2.580 0.305 -0.000 -0.000 0.000 3/27000 350.0 2.573 2.510 0.297 -0.000 -0.000 0.000 3/27000 360.0 2.506 2.443 0.289 -0.000 -0.000 0.000 3/27000 370.0 2.442 2.381 0.281 -0.000 -0.000 0.000 3/27000 380.0 2.381 2.321 0.273 -0.000 -0.000 0.000 3/27000 390.0 2.323 2.264 0.266 -0.000 -0.000 0.000 3/27000 400.0 2.268 2.210 0.260 -0.000 -0.000 0.000 3/27000 410.0 2.216 2.158 0.254 -0.000 -0.000 0.000 3/27000 420.0 2.166 2.109 0.248 -0.000 -0.000 0.000 3/27000 430.0 2.118 2.062 0.242 -0.000 -0.000 0.000 3/27000 440.0 2.072 2.017 0.236 -0.000 -0.000 0.000 3/27000 450.0 2.028 1.974 0.231 -0.000 -0.000 0.000 3/27000 460.0 1.986 1.932 0.226 -0.000 -0.000 0.000 3/27000 470.0 1.945 1.893 0.221 -0.000 -0.000 0.000 3/27000 480.0 1.906 1.855 0.217 -0.000 -0.000 0.000 3/27000 490.0 1.869 1.818 0.212 -0.000 -0.000 0.000 3/27000 500.0 1.833 1.783 0.208 -0.000 -0.000 0.000 3/27000 510.0 1.799 1.749 0.204 -0.000 -0.000 0.000 3/27000 520.0 1.765 1.716 0.200 -0.000 -0.000 0.000 3/27000 530.0 1.733 1.685 0.196 -0.000 -0.000 0.000 3/27000 540.0 1.702 1.655 0.193 -0.000 -0.000 0.000 3/27000 550.0 1.672 1.626 0.189 -0.000 -0.000 0.000 3/27000 560.0 1.644 1.598 0.186 -0.000 -0.000 0.000 3/27000 570.0 1.616 1.570 0.183 -0.000 -0.000 0.000 3/27000 580.0 1.589 1.544 0.180 -0.000 -0.000 0.000 3/27000 590.0 1.563 1.519 0.177 -0.000 -0.000 0.000 3/27000 600.0 1.538 1.494 0.174 -0.000 -0.000 0.000 3/27000 610.0 1.513 1.470 0.171 -0.000 -0.000 0.000 3/27000 620.0 1.490 1.447 0.168 -0.000 -0.000 0.000 3/27000 630.0 1.467 1.425 0.165 -0.000 -0.000 0.000 3/27000 640.0 1.444 1.403 0.163 -0.000 -0.000 0.000 3/27000 650.0 1.423 1.382 0.160 -0.000 -0.000 0.000 3/27000 660.0 1.402 1.362 0.158 -0.000 -0.000 0.000 3/27000 670.0 1.382 1.342 0.156 -0.000 -0.000 0.000 3/27000 680.0 1.362 1.322 0.153 -0.000 -0.000 0.000 3/27000 690.0 1.343 1.304 0.151 -0.000 -0.000 0.000 3/27000 700.0 1.324 1.286 0.149 -0.000 -0.000 0.000 3/27000 710.0 1.306 1.268 0.147 -0.000 -0.000 0.000 3/27000 720.0 1.288 1.251 0.145 -0.000 -0.000 0.000 3/27000 730.0 1.271 1.234 0.143 -0.000 -0.000 0.000 3/27000 740.0 1.254 1.218 0.141 -0.000 -0.000 0.000 3/27000 750.0 1.238 1.202 0.139 -0.000 -0.000 0.000 3/27000 760.0 1.222 1.186 0.137 -0.000 -0.000 0.000 3/27000 770.0 1.207 1.171 0.136 -0.000 -0.000 0.000 3/27000 780.0 1.192 1.156 0.134 -0.000 -0.000 0.000 3/27000 790.0 1.177 1.142 0.132 -0.000 -0.000 0.000 3/27000 800.0 1.162 1.128 0.130 -0.000 -0.000 0.000 3/27000 810.0 1.148 1.114 0.129 -0.000 -0.000 0.000 3/27000 820.0 1.135 1.101 0.127 -0.000 -0.000 0.000 3/27000 830.0 1.121 1.088 0.126 -0.000 -0.000 0.000 3/27000 840.0 1.108 1.075 0.124 -0.000 -0.000 0.000 3/27000 850.0 1.096 1.063 0.123 -0.000 -0.000 0.000 3/27000 860.0 1.083 1.051 0.121 -0.000 -0.000 0.000 3/27000 870.0 1.071 1.039 0.120 -0.000 -0.000 0.000 3/27000 880.0 1.059 1.027 0.119 -0.000 -0.000 0.000 3/27000 890.0 1.047 1.016 0.117 -0.000 -0.000 0.000 3/27000 900.0 1.036 1.005 0.116 -0.000 -0.000 0.000 3/27000 910.0 1.025 0.994 0.115 -0.000 -0.000 0.000 3/27000 920.0 1.014 0.984 0.114 -0.000 -0.000 0.000 3/27000 930.0 1.003 0.973 0.112 -0.000 -0.000 0.000 3/27000 940.0 0.993 0.963 0.111 -0.000 -0.000 0.000 3/27000 950.0 0.983 0.953 0.110 -0.000 -0.000 0.000 3/27000 960.0 0.973 0.943 0.109 -0.000 -0.000 0.000 3/27000 970.0 0.963 0.934 0.108 -0.000 -0.000 0.000 3/27000 980.0 0.953 0.924 0.107 -0.000 -0.000 0.000 3/27000 990.0 0.944 0.915 0.106 -0.000 -0.000 0.000 3/27000 1000.0 0.934 0.906 0.105 -0.000 -0.000 0.000 3/27000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:51:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|