----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:20:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.824063975000000 -6.961641945000002 0.000000000000000 b 1.824063975000000 6.961641945000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.600023350000001 Atomic positions (fractional): *1 S 0.62359779930023 0.37640220069977 0.54881364165175 32.065 2 S 0.37640220069977 0.62359779930023 0.45118635834825 32.065 3 S 0.37640220069977 0.62359779930023 0.04881364165175 32.065 *4 S 0.93712312791653 0.06287687208347 0.75000000000000 32.065 5 S 0.06287687208347 0.93712312791653 0.25000000000000 32.065 6 S 0.62359779930023 0.37640220069977 0.95118635834825 32.065 *7 Cu 0.53825383998144 0.46174616001856 0.75000000000000 63.546 8 Cu 0.46174616001856 0.53825383998144 0.25000000000000 63.546 *9 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 10 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 *11 Tl 0.74555808038834 0.25444191961166 0.25000000000000 204.383 12 Tl 0.25444191961166 0.74555808038834 0.75000000000000 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.648127950000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.923283890000004 0.000000000000000 c 0.000000000000000 0.000000000000000 9.600023350000001 Atomic positions (fractional): *1 S 0.00000000000000 0.37640220069977 0.54881364165175 32.065 > 1 2 S 0.50000000000000 0.12359779930023 0.45118635834825 32.065 > 2 3 S 0.50000000000000 0.12359779930023 0.04881364165175 32.065 > 3 *4 S 0.00000000000000 0.06287687208347 0.75000000000000 32.065 > 4 5 S 0.50000000000000 0.43712312791653 0.25000000000000 32.065 > 5 6 S 0.00000000000000 0.37640220069977 0.95118635834825 32.065 > 6 7 S 0.50000000000000 0.87640220069977 0.54881364165175 32.065 > 1 8 S 0.00000000000000 0.62359779930023 0.45118635834825 32.065 > 2 9 S 0.00000000000000 0.62359779930023 0.04881364165175 32.065 > 3 10 S 0.50000000000000 0.56287687208347 0.75000000000000 32.065 > 4 11 S 0.00000000000000 0.93712312791653 0.25000000000000 32.065 > 5 12 S 0.50000000000000 0.87640220069977 0.95118635834825 32.065 > 6 *13 Cu 0.00000000000000 0.46174616001856 0.75000000000000 63.546 > 7 14 Cu 0.50000000000000 0.03825383998144 0.25000000000000 63.546 > 8 15 Cu 0.50000000000000 0.96174616001856 0.75000000000000 63.546 > 7 16 Cu 0.00000000000000 0.53825383998144 0.25000000000000 63.546 > 8 *17 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 9 18 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 10 19 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 9 20 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 10 *21 Tl 0.00000000000000 0.25444191961166 0.25000000000000 204.383 > 11 22 Tl 0.50000000000000 0.24555808038834 0.75000000000000 204.383 > 12 23 Tl 0.50000000000000 0.75444191961166 0.25000000000000 204.383 > 11 24 Tl 0.00000000000000 0.74555808038834 0.75000000000000 204.383 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.944383850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.923283890000004 0.000000000000000 c 0.000000000000000 0.000000000000000 19.200046700000001 Atomic positions (fractional): *1 S 0.00000000000000 0.37640220069977 0.27440682082588 32.065 > 1 2 S 0.33333333333333 0.37640220069977 0.27440682082588 32.065 > 1 3 S 0.66666666666667 0.37640220069977 0.27440682082588 32.065 > 1 4 S 0.00000000000000 0.37640220069977 0.77440682082588 32.065 > 1 5 S 0.33333333333333 0.37640220069977 0.77440682082588 32.065 > 1 6 S 0.66666666666667 0.37640220069977 0.77440682082588 32.065 > 1 7 S 0.16666666666667 0.12359779930023 0.22559317917412 32.065 > 2 8 S 0.50000000000000 0.12359779930023 0.22559317917412 32.065 > 2 9 S 0.83333333333333 0.12359779930023 0.22559317917412 32.065 > 2 10 S 0.16666666666667 0.12359779930023 0.72559317917412 32.065 > 2 11 S 0.50000000000000 0.12359779930023 0.72559317917412 32.065 > 2 12 S 0.83333333333333 0.12359779930023 0.72559317917412 32.065 > 2 13 S 0.16666666666667 0.12359779930023 0.02440682082588 32.065 > 3 14 S 0.50000000000000 0.12359779930023 0.02440682082588 32.065 > 3 15 S 0.83333333333333 0.12359779930023 0.02440682082588 32.065 > 3 16 S 0.16666666666667 0.12359779930023 0.52440682082588 32.065 > 3 17 S 0.50000000000000 0.12359779930023 0.52440682082588 32.065 > 3 18 S 0.83333333333333 0.12359779930023 0.52440682082588 32.065 > 3 *19 S 0.00000000000000 0.06287687208347 0.37500000000000 32.065 > 4 20 S 0.33333333333333 0.06287687208347 0.37500000000000 32.065 > 4 21 S 0.66666666666667 0.06287687208347 0.37500000000000 32.065 > 4 22 S 0.00000000000000 0.06287687208347 0.87500000000000 32.065 > 4 23 S 0.33333333333333 0.06287687208347 0.87500000000000 32.065 > 4 24 S 0.66666666666667 0.06287687208347 0.87500000000000 32.065 > 4 25 S 0.16666666666667 0.43712312791653 0.12500000000000 32.065 > 5 26 S 0.50000000000000 0.43712312791653 0.12500000000000 32.065 > 5 27 S 0.83333333333333 0.43712312791653 0.12500000000000 32.065 > 5 28 S 0.16666666666667 0.43712312791653 0.62500000000000 32.065 > 5 29 S 0.50000000000000 0.43712312791653 0.62500000000000 32.065 > 5 30 S 0.83333333333333 0.43712312791653 0.62500000000000 32.065 > 5 31 S 0.00000000000000 0.37640220069977 0.47559317917412 32.065 > 6 32 S 0.33333333333333 0.37640220069977 0.47559317917412 32.065 > 6 33 S 0.66666666666667 0.37640220069977 0.47559317917412 32.065 > 6 34 S 0.00000000000000 0.37640220069977 0.97559317917412 32.065 > 6 35 S 0.33333333333333 0.37640220069977 0.97559317917412 32.065 > 6 36 S 0.66666666666667 0.37640220069977 0.97559317917412 32.065 > 6 37 S 0.16666666666667 0.87640220069977 0.27440682082588 32.065 > 1 38 S 0.50000000000000 0.87640220069977 0.27440682082588 32.065 > 1 39 S 0.83333333333333 0.87640220069977 0.27440682082588 32.065 > 1 40 S 0.16666666666667 0.87640220069977 0.77440682082588 32.065 > 1 41 S 0.50000000000000 0.87640220069977 0.77440682082588 32.065 > 1 42 S 0.83333333333333 0.87640220069977 0.77440682082588 32.065 > 1 43 S 0.00000000000000 0.62359779930023 0.22559317917412 32.065 > 2 44 S 0.33333333333333 0.62359779930023 0.22559317917412 32.065 > 2 45 S 0.66666666666667 0.62359779930023 0.22559317917412 32.065 > 2 46 S 0.00000000000000 0.62359779930023 0.72559317917412 32.065 > 2 47 S 0.33333333333333 0.62359779930023 0.72559317917412 32.065 > 2 48 S 0.66666666666667 0.62359779930023 0.72559317917412 32.065 > 2 49 S 0.00000000000000 0.62359779930023 0.02440682082588 32.065 > 3 50 S 0.33333333333333 0.62359779930023 0.02440682082588 32.065 > 3 51 S 0.66666666666667 0.62359779930023 0.02440682082588 32.065 > 3 52 S 0.00000000000000 0.62359779930023 0.52440682082588 32.065 > 3 53 S 0.33333333333333 0.62359779930023 0.52440682082588 32.065 > 3 54 S 0.66666666666667 0.62359779930023 0.52440682082588 32.065 > 3 55 S 0.16666666666667 0.56287687208347 0.37500000000000 32.065 > 4 56 S 0.50000000000000 0.56287687208347 0.37500000000000 32.065 > 4 57 S 0.83333333333333 0.56287687208347 0.37500000000000 32.065 > 4 58 S 0.16666666666667 0.56287687208347 0.87500000000000 32.065 > 4 59 S 0.50000000000000 0.56287687208347 0.87500000000000 32.065 > 4 60 S 0.83333333333333 0.56287687208347 0.87500000000000 32.065 > 4 61 S 0.00000000000000 0.93712312791653 0.12500000000000 32.065 > 5 62 S 0.33333333333333 0.93712312791653 0.12500000000000 32.065 > 5 63 S 0.66666666666667 0.93712312791653 0.12500000000000 32.065 > 5 64 S 0.00000000000000 0.93712312791653 0.62500000000000 32.065 > 5 65 S 0.33333333333333 0.93712312791653 0.62500000000000 32.065 > 5 66 S 0.66666666666667 0.93712312791653 0.62500000000000 32.065 > 5 67 S 0.16666666666667 0.87640220069977 0.47559317917412 32.065 > 6 68 S 0.50000000000000 0.87640220069977 0.47559317917412 32.065 > 6 69 S 0.83333333333333 0.87640220069977 0.47559317917412 32.065 > 6 70 S 0.16666666666667 0.87640220069977 0.97559317917412 32.065 > 6 71 S 0.50000000000000 0.87640220069977 0.97559317917412 32.065 > 6 72 S 0.83333333333333 0.87640220069977 0.97559317917412 32.065 > 6 *73 Cu 0.00000000000000 0.46174616001856 0.37500000000000 63.546 > 7 74 Cu 0.33333333333333 0.46174616001856 0.37500000000000 63.546 > 7 75 Cu 0.66666666666667 0.46174616001856 0.37500000000000 63.546 > 7 76 Cu 0.00000000000000 0.46174616001856 0.87500000000000 63.546 > 7 77 Cu 0.33333333333333 0.46174616001856 0.87500000000000 63.546 > 7 78 Cu 0.66666666666667 0.46174616001856 0.87500000000000 63.546 > 7 79 Cu 0.16666666666667 0.03825383998144 0.12500000000000 63.546 > 8 80 Cu 0.50000000000000 0.03825383998144 0.12500000000000 63.546 > 8 81 Cu 0.83333333333333 0.03825383998144 0.12500000000000 63.546 > 8 82 Cu 0.16666666666667 0.03825383998144 0.62500000000000 63.546 > 8 83 Cu 0.50000000000000 0.03825383998144 0.62500000000000 63.546 > 8 84 Cu 0.83333333333333 0.03825383998144 0.62500000000000 63.546 > 8 85 Cu 0.16666666666667 0.96174616001856 0.37500000000000 63.546 > 7 86 Cu 0.50000000000000 0.96174616001856 0.37500000000000 63.546 > 7 87 Cu 0.83333333333333 0.96174616001856 0.37500000000000 63.546 > 7 88 Cu 0.16666666666667 0.96174616001856 0.87500000000000 63.546 > 7 89 Cu 0.50000000000000 0.96174616001856 0.87500000000000 63.546 > 7 90 Cu 0.83333333333333 0.96174616001856 0.87500000000000 63.546 > 7 91 Cu 0.00000000000000 0.53825383998144 0.12500000000000 63.546 > 8 92 Cu 0.33333333333333 0.53825383998144 0.12500000000000 63.546 > 8 93 Cu 0.66666666666667 0.53825383998144 0.12500000000000 63.546 > 8 94 Cu 0.00000000000000 0.53825383998144 0.62500000000000 63.546 > 8 95 Cu 0.33333333333333 0.53825383998144 0.62500000000000 63.546 > 8 96 Cu 0.66666666666667 0.53825383998144 0.62500000000000 63.546 > 8 *97 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 9 98 Hf 0.33333333333333 0.00000000000000 0.25000000000000 178.490 > 9 99 Hf 0.66666666666667 0.00000000000000 0.25000000000000 178.490 > 9 100 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 9 101 Hf 0.33333333333333 0.00000000000000 0.75000000000000 178.490 > 9 102 Hf 0.66666666666667 0.00000000000000 0.75000000000000 178.490 > 9 103 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 10 104 Hf 0.33333333333333 0.00000000000000 0.00000000000000 178.490 > 10 105 Hf 0.66666666666667 0.00000000000000 0.00000000000000 178.490 > 10 106 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 10 107 Hf 0.33333333333333 0.00000000000000 0.50000000000000 178.490 > 10 108 Hf 0.66666666666667 0.00000000000000 0.50000000000000 178.490 > 10 109 Hf 0.16666666666667 0.50000000000000 0.25000000000000 178.490 > 9 110 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 9 111 Hf 0.83333333333333 0.50000000000000 0.25000000000000 178.490 > 9 112 Hf 0.16666666666667 0.50000000000000 0.75000000000000 178.490 > 9 113 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 9 114 Hf 0.83333333333333 0.50000000000000 0.75000000000000 178.490 > 9 115 Hf 0.16666666666667 0.50000000000000 0.00000000000000 178.490 > 10 116 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 10 117 Hf 0.83333333333333 0.50000000000000 0.00000000000000 178.490 > 10 118 Hf 0.16666666666667 0.50000000000000 0.50000000000000 178.490 > 10 119 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 10 120 Hf 0.83333333333333 0.50000000000000 0.50000000000000 178.490 > 10 *121 Tl 0.00000000000000 0.25444191961166 0.12500000000000 204.383 > 11 122 Tl 0.33333333333333 0.25444191961166 0.12500000000000 204.383 > 11 123 Tl 0.66666666666667 0.25444191961166 0.12500000000000 204.383 > 11 124 Tl 0.00000000000000 0.25444191961166 0.62500000000000 204.383 > 11 125 Tl 0.33333333333333 0.25444191961166 0.62500000000000 204.383 > 11 126 Tl 0.66666666666667 0.25444191961166 0.62500000000000 204.383 > 11 127 Tl 0.16666666666667 0.24555808038834 0.37500000000000 204.383 > 12 128 Tl 0.50000000000000 0.24555808038834 0.37500000000000 204.383 > 12 129 Tl 0.83333333333333 0.24555808038834 0.37500000000000 204.383 > 12 130 Tl 0.16666666666667 0.24555808038834 0.87500000000000 204.383 > 12 131 Tl 0.50000000000000 0.24555808038834 0.87500000000000 204.383 > 12 132 Tl 0.83333333333333 0.24555808038834 0.87500000000000 204.383 > 12 133 Tl 0.16666666666667 0.75444191961166 0.12500000000000 204.383 > 11 134 Tl 0.50000000000000 0.75444191961166 0.12500000000000 204.383 > 11 135 Tl 0.83333333333333 0.75444191961166 0.12500000000000 204.383 > 11 136 Tl 0.16666666666667 0.75444191961166 0.62500000000000 204.383 > 11 137 Tl 0.50000000000000 0.75444191961166 0.62500000000000 204.383 > 11 138 Tl 0.83333333333333 0.75444191961166 0.62500000000000 204.383 > 11 139 Tl 0.00000000000000 0.74555808038834 0.37500000000000 204.383 > 12 140 Tl 0.33333333333333 0.74555808038834 0.37500000000000 204.383 > 12 141 Tl 0.66666666666667 0.74555808038834 0.37500000000000 204.383 > 12 142 Tl 0.00000000000000 0.74555808038834 0.87500000000000 204.383 > 12 143 Tl 0.33333333333333 0.74555808038834 0.87500000000000 204.383 > 12 144 Tl 0.66666666666667 0.74555808038834 0.87500000000000 204.383 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.8172513 0.0000000 0.0000000 0.0000000 9.1470097 0.0000000 0.0000000 0.0000000 12.9851814 -------------------------- Born effective charges -------------------------- 1 S -4.6828321 0.0000000 0.0000000 0.0000000 -2.4117785 0.2041793 0.0000000 0.6987560 -2.1474388 2 S -4.6828321 0.0000000 0.0000000 0.0000000 -2.4117785 0.2041793 0.0000000 0.6987560 -2.1474388 3 S -4.6828321 0.0000000 0.0000000 0.0000000 -2.4117785 -0.2041793 0.0000000 -0.6987560 -2.1474388 4 S -1.2205916 0.0000000 0.0000000 0.0000000 -1.7689485 0.0000000 0.0000000 0.0000000 -5.5019381 5 S -1.2205916 0.0000000 0.0000000 0.0000000 -1.7689485 0.0000000 0.0000000 0.0000000 -5.5019381 6 S -4.6828321 0.0000000 0.0000000 0.0000000 -2.4117785 -0.2041793 0.0000000 -0.6987560 -2.1474388 7 Cu 0.3471505 0.0000000 0.0000000 0.0000000 0.1923610 0.0000000 0.0000000 0.0000000 -0.2679213 8 Cu 0.3471505 0.0000000 0.0000000 0.0000000 0.1923610 0.0000000 0.0000000 0.0000000 -0.2679213 9 Hf 8.2517483 0.0000000 0.0000000 0.0000000 3.1046883 0.3655117 0.0000000 -0.1380789 8.0040962 10 Hf 8.2517483 0.0000000 0.0000000 0.0000000 3.1046883 -0.3655117 0.0000000 0.1380789 8.0040962 11 Tl 1.9873568 0.0000000 0.0000000 0.0000000 3.2954562 0.0000000 0.0000000 0.0000000 2.0606408 12 Tl 1.9873568 0.0000000 0.0000000 0.0000000 3.2954562 0.0000000 0.0000000 0.0000000 2.0606408 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 240 - Time: 1.642 Solver_block: 200 / 240 - Time: 1.638 Solver_block: 240 / 240 - Time: 0.728 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.036 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:20:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:20:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.824063975000000 -6.961641945000002 0.000000000000000 b 1.824063975000000 6.961641945000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.600023350000001 Atomic positions (fractional): 1 S 0.62359779930023 0.37640220069977 0.54881364165175 32.065 2 S 0.37640220069977 0.62359779930023 0.45118635834825 32.065 3 S 0.37640220069977 0.62359779930023 0.04881364165175 32.065 4 S 0.93712312791653 0.06287687208347 0.75000000000000 32.065 5 S 0.06287687208347 0.93712312791653 0.25000000000000 32.065 6 S 0.62359779930023 0.37640220069977 0.95118635834825 32.065 7 Cu 0.53825383998144 0.46174616001856 0.75000000000000 63.546 8 Cu 0.46174616001856 0.53825383998144 0.25000000000000 63.546 9 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 10 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 11 Tl 0.74555808038834 0.25444191961166 0.25000000000000 204.383 12 Tl 0.25444191961166 0.74555808038834 0.75000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.944383850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.923283890000004 0.000000000000000 c 0.000000000000000 0.000000000000000 19.200046700000001 Atomic positions (fractional): 1 S 0.00000000000000 0.37640220069977 0.27440682082588 32.065 > 1 2 S 0.33333333333333 0.37640220069977 0.27440682082588 32.065 > 1 3 S 0.66666666666667 0.37640220069977 0.27440682082588 32.065 > 1 4 S 0.00000000000000 0.37640220069977 0.77440682082588 32.065 > 1 5 S 0.33333333333333 0.37640220069977 0.77440682082588 32.065 > 1 6 S 0.66666666666667 0.37640220069977 0.77440682082588 32.065 > 1 7 S 0.16666666666667 0.12359779930023 0.22559317917412 32.065 > 7 8 S 0.50000000000000 0.12359779930023 0.22559317917412 32.065 > 7 9 S 0.83333333333333 0.12359779930023 0.22559317917412 32.065 > 7 10 S 0.16666666666667 0.12359779930023 0.72559317917412 32.065 > 7 11 S 0.50000000000000 0.12359779930023 0.72559317917412 32.065 > 7 12 S 0.83333333333333 0.12359779930023 0.72559317917412 32.065 > 7 13 S 0.16666666666667 0.12359779930023 0.02440682082588 32.065 > 13 14 S 0.50000000000000 0.12359779930023 0.02440682082588 32.065 > 13 15 S 0.83333333333333 0.12359779930023 0.02440682082588 32.065 > 13 16 S 0.16666666666667 0.12359779930023 0.52440682082588 32.065 > 13 17 S 0.50000000000000 0.12359779930023 0.52440682082588 32.065 > 13 18 S 0.83333333333333 0.12359779930023 0.52440682082588 32.065 > 13 19 S 0.00000000000000 0.06287687208347 0.37500000000000 32.065 > 19 20 S 0.33333333333333 0.06287687208347 0.37500000000000 32.065 > 19 21 S 0.66666666666667 0.06287687208347 0.37500000000000 32.065 > 19 22 S 0.00000000000000 0.06287687208347 0.87500000000000 32.065 > 19 23 S 0.33333333333333 0.06287687208347 0.87500000000000 32.065 > 19 24 S 0.66666666666667 0.06287687208347 0.87500000000000 32.065 > 19 25 S 0.16666666666667 0.43712312791653 0.12500000000000 32.065 > 25 26 S 0.50000000000000 0.43712312791653 0.12500000000000 32.065 > 25 27 S 0.83333333333333 0.43712312791653 0.12500000000000 32.065 > 25 28 S 0.16666666666667 0.43712312791653 0.62500000000000 32.065 > 25 29 S 0.50000000000000 0.43712312791653 0.62500000000000 32.065 > 25 30 S 0.83333333333333 0.43712312791653 0.62500000000000 32.065 > 25 31 S 0.00000000000000 0.37640220069977 0.47559317917412 32.065 > 31 32 S 0.33333333333333 0.37640220069977 0.47559317917412 32.065 > 31 33 S 0.66666666666667 0.37640220069977 0.47559317917412 32.065 > 31 34 S 0.00000000000000 0.37640220069977 0.97559317917412 32.065 > 31 35 S 0.33333333333333 0.37640220069977 0.97559317917412 32.065 > 31 36 S 0.66666666666667 0.37640220069977 0.97559317917412 32.065 > 31 37 S 0.16666666666667 0.87640220069977 0.27440682082588 32.065 > 1 38 S 0.50000000000000 0.87640220069977 0.27440682082588 32.065 > 1 39 S 0.83333333333333 0.87640220069977 0.27440682082588 32.065 > 1 40 S 0.16666666666667 0.87640220069977 0.77440682082588 32.065 > 1 41 S 0.50000000000000 0.87640220069977 0.77440682082588 32.065 > 1 42 S 0.83333333333333 0.87640220069977 0.77440682082588 32.065 > 1 43 S 0.00000000000000 0.62359779930023 0.22559317917412 32.065 > 7 44 S 0.33333333333333 0.62359779930023 0.22559317917412 32.065 > 7 45 S 0.66666666666667 0.62359779930023 0.22559317917412 32.065 > 7 46 S 0.00000000000000 0.62359779930023 0.72559317917412 32.065 > 7 47 S 0.33333333333333 0.62359779930023 0.72559317917412 32.065 > 7 48 S 0.66666666666667 0.62359779930023 0.72559317917412 32.065 > 7 49 S 0.00000000000000 0.62359779930023 0.02440682082588 32.065 > 13 50 S 0.33333333333333 0.62359779930023 0.02440682082588 32.065 > 13 51 S 0.66666666666667 0.62359779930023 0.02440682082588 32.065 > 13 52 S 0.00000000000000 0.62359779930023 0.52440682082588 32.065 > 13 53 S 0.33333333333333 0.62359779930023 0.52440682082588 32.065 > 13 54 S 0.66666666666667 0.62359779930023 0.52440682082588 32.065 > 13 55 S 0.16666666666667 0.56287687208347 0.37500000000000 32.065 > 19 56 S 0.50000000000000 0.56287687208347 0.37500000000000 32.065 > 19 57 S 0.83333333333333 0.56287687208347 0.37500000000000 32.065 > 19 58 S 0.16666666666667 0.56287687208347 0.87500000000000 32.065 > 19 59 S 0.50000000000000 0.56287687208347 0.87500000000000 32.065 > 19 60 S 0.83333333333333 0.56287687208347 0.87500000000000 32.065 > 19 61 S 0.00000000000000 0.93712312791653 0.12500000000000 32.065 > 25 62 S 0.33333333333333 0.93712312791653 0.12500000000000 32.065 > 25 63 S 0.66666666666667 0.93712312791653 0.12500000000000 32.065 > 25 64 S 0.00000000000000 0.93712312791653 0.62500000000000 32.065 > 25 65 S 0.33333333333333 0.93712312791653 0.62500000000000 32.065 > 25 66 S 0.66666666666667 0.93712312791653 0.62500000000000 32.065 > 25 67 S 0.16666666666667 0.87640220069977 0.47559317917412 32.065 > 31 68 S 0.50000000000000 0.87640220069977 0.47559317917412 32.065 > 31 69 S 0.83333333333333 0.87640220069977 0.47559317917412 32.065 > 31 70 S 0.16666666666667 0.87640220069977 0.97559317917412 32.065 > 31 71 S 0.50000000000000 0.87640220069977 0.97559317917412 32.065 > 31 72 S 0.83333333333333 0.87640220069977 0.97559317917412 32.065 > 31 73 Cu 0.00000000000000 0.46174616001856 0.37500000000000 63.546 > 73 74 Cu 0.33333333333333 0.46174616001856 0.37500000000000 63.546 > 73 75 Cu 0.66666666666667 0.46174616001856 0.37500000000000 63.546 > 73 76 Cu 0.00000000000000 0.46174616001856 0.87500000000000 63.546 > 73 77 Cu 0.33333333333333 0.46174616001856 0.87500000000000 63.546 > 73 78 Cu 0.66666666666667 0.46174616001856 0.87500000000000 63.546 > 73 79 Cu 0.16666666666667 0.03825383998144 0.12500000000000 63.546 > 79 80 Cu 0.50000000000000 0.03825383998144 0.12500000000000 63.546 > 79 81 Cu 0.83333333333333 0.03825383998144 0.12500000000000 63.546 > 79 82 Cu 0.16666666666667 0.03825383998144 0.62500000000000 63.546 > 79 83 Cu 0.50000000000000 0.03825383998144 0.62500000000000 63.546 > 79 84 Cu 0.83333333333333 0.03825383998144 0.62500000000000 63.546 > 79 85 Cu 0.16666666666667 0.96174616001856 0.37500000000000 63.546 > 73 86 Cu 0.50000000000000 0.96174616001856 0.37500000000000 63.546 > 73 87 Cu 0.83333333333333 0.96174616001856 0.37500000000000 63.546 > 73 88 Cu 0.16666666666667 0.96174616001856 0.87500000000000 63.546 > 73 89 Cu 0.50000000000000 0.96174616001856 0.87500000000000 63.546 > 73 90 Cu 0.83333333333333 0.96174616001856 0.87500000000000 63.546 > 73 91 Cu 0.00000000000000 0.53825383998144 0.12500000000000 63.546 > 79 92 Cu 0.33333333333333 0.53825383998144 0.12500000000000 63.546 > 79 93 Cu 0.66666666666667 0.53825383998144 0.12500000000000 63.546 > 79 94 Cu 0.00000000000000 0.53825383998144 0.62500000000000 63.546 > 79 95 Cu 0.33333333333333 0.53825383998144 0.62500000000000 63.546 > 79 96 Cu 0.66666666666667 0.53825383998144 0.62500000000000 63.546 > 79 97 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 97 98 Hf 0.33333333333333 0.00000000000000 0.25000000000000 178.490 > 97 99 Hf 0.66666666666667 0.00000000000000 0.25000000000000 178.490 > 97 100 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 97 101 Hf 0.33333333333333 0.00000000000000 0.75000000000000 178.490 > 97 102 Hf 0.66666666666667 0.00000000000000 0.75000000000000 178.490 > 97 103 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 103 104 Hf 0.33333333333333 0.00000000000000 0.00000000000000 178.490 > 103 105 Hf 0.66666666666667 0.00000000000000 0.00000000000000 178.490 > 103 106 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 103 107 Hf 0.33333333333333 0.00000000000000 0.50000000000000 178.490 > 103 108 Hf 0.66666666666667 0.00000000000000 0.50000000000000 178.490 > 103 109 Hf 0.16666666666667 0.50000000000000 0.25000000000000 178.490 > 97 110 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 97 111 Hf 0.83333333333333 0.50000000000000 0.25000000000000 178.490 > 97 112 Hf 0.16666666666667 0.50000000000000 0.75000000000000 178.490 > 97 113 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 97 114 Hf 0.83333333333333 0.50000000000000 0.75000000000000 178.490 > 97 115 Hf 0.16666666666667 0.50000000000000 0.00000000000000 178.490 > 103 116 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 103 117 Hf 0.83333333333333 0.50000000000000 0.00000000000000 178.490 > 103 118 Hf 0.16666666666667 0.50000000000000 0.50000000000000 178.490 > 103 119 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 103 120 Hf 0.83333333333333 0.50000000000000 0.50000000000000 178.490 > 103 121 Tl 0.00000000000000 0.25444191961166 0.12500000000000 204.383 > 121 122 Tl 0.33333333333333 0.25444191961166 0.12500000000000 204.383 > 121 123 Tl 0.66666666666667 0.25444191961166 0.12500000000000 204.383 > 121 124 Tl 0.00000000000000 0.25444191961166 0.62500000000000 204.383 > 121 125 Tl 0.33333333333333 0.25444191961166 0.62500000000000 204.383 > 121 126 Tl 0.66666666666667 0.25444191961166 0.62500000000000 204.383 > 121 127 Tl 0.16666666666667 0.24555808038834 0.37500000000000 204.383 > 127 128 Tl 0.50000000000000 0.24555808038834 0.37500000000000 204.383 > 127 129 Tl 0.83333333333333 0.24555808038834 0.37500000000000 204.383 > 127 130 Tl 0.16666666666667 0.24555808038834 0.87500000000000 204.383 > 127 131 Tl 0.50000000000000 0.24555808038834 0.87500000000000 204.383 > 127 132 Tl 0.83333333333333 0.24555808038834 0.87500000000000 204.383 > 127 133 Tl 0.16666666666667 0.75444191961166 0.12500000000000 204.383 > 121 134 Tl 0.50000000000000 0.75444191961166 0.12500000000000 204.383 > 121 135 Tl 0.83333333333333 0.75444191961166 0.12500000000000 204.383 > 121 136 Tl 0.16666666666667 0.75444191961166 0.62500000000000 204.383 > 121 137 Tl 0.50000000000000 0.75444191961166 0.62500000000000 204.383 > 121 138 Tl 0.83333333333333 0.75444191961166 0.62500000000000 204.383 > 121 139 Tl 0.00000000000000 0.74555808038834 0.37500000000000 204.383 > 127 140 Tl 0.33333333333333 0.74555808038834 0.37500000000000 204.383 > 127 141 Tl 0.66666666666667 0.74555808038834 0.37500000000000 204.383 > 127 142 Tl 0.00000000000000 0.74555808038834 0.87500000000000 204.383 > 127 143 Tl 0.33333333333333 0.74555808038834 0.87500000000000 204.383 > 127 144 Tl 0.66666666666667 0.74555808038834 0.87500000000000 204.383 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.8172513 0.0000000 0.0000000 0.0000000 9.1470097 0.0000000 0.0000000 0.0000000 12.9851814 -------------------------- Born effective charges -------------------------- 1 S -4.6828321 0.0000000 0.0000000 0.0000000 -2.4117785 0.2041793 0.0000000 0.6987560 -2.1474388 2 S -4.6828321 0.0000000 0.0000000 0.0000000 -2.4117785 0.2041793 0.0000000 0.6987560 -2.1474388 3 S -4.6828321 0.0000000 0.0000000 0.0000000 -2.4117785 -0.2041793 0.0000000 -0.6987560 -2.1474388 4 S -1.2205916 0.0000000 0.0000000 0.0000000 -1.7689485 0.0000000 0.0000000 0.0000000 -5.5019381 5 S -1.2205916 0.0000000 0.0000000 0.0000000 -1.7689485 0.0000000 0.0000000 0.0000000 -5.5019381 6 S -4.6828321 0.0000000 0.0000000 0.0000000 -2.4117785 -0.2041793 0.0000000 -0.6987560 -2.1474388 7 Cu 0.3471505 0.0000000 0.0000000 0.0000000 0.1923610 0.0000000 0.0000000 0.0000000 -0.2679213 8 Cu 0.3471505 0.0000000 0.0000000 0.0000000 0.1923610 0.0000000 0.0000000 0.0000000 -0.2679213 9 Hf 8.2517483 0.0000000 0.0000000 0.0000000 3.1046883 0.3655117 0.0000000 -0.1380789 8.0040962 10 Hf 8.2517483 0.0000000 0.0000000 0.0000000 3.1046883 -0.3655117 0.0000000 0.1380789 8.0040962 11 Tl 1.9873568 0.0000000 0.0000000 0.0000000 3.2954562 0.0000000 0.0000000 0.0000000 2.0606408 12 Tl 1.9873568 0.0000000 0.0000000 0.0000000 3.2954562 0.0000000 0.0000000 0.0000000 2.0606408 ---------------------------------------------------------------------------- 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[ 19, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zyz) -0.00000000 (zyz) -0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:20:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:20:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.824063975000000 -6.961641945000002 0.000000000000000 b 1.824063975000000 6.961641945000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.600023350000001 Atomic positions (fractional): 1 S 0.62359779930023 0.37640220069977 0.54881364165175 32.065 2 S 0.37640220069977 0.62359779930023 0.45118635834825 32.065 3 S 0.37640220069977 0.62359779930023 0.04881364165175 32.065 4 S 0.93712312791653 0.06287687208347 0.75000000000000 32.065 5 S 0.06287687208347 0.93712312791653 0.25000000000000 32.065 6 S 0.62359779930023 0.37640220069977 0.95118635834825 32.065 7 Cu 0.53825383998144 0.46174616001856 0.75000000000000 63.546 8 Cu 0.46174616001856 0.53825383998144 0.25000000000000 63.546 9 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 10 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 11 Tl 0.74555808038834 0.25444191961166 0.25000000000000 204.383 12 Tl 0.25444191961166 0.74555808038834 0.75000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.944383850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.923283890000004 0.000000000000000 c 0.000000000000000 0.000000000000000 19.200046700000001 Atomic positions (fractional): 1 S 0.00000000000000 0.37640220069977 0.27440682082588 32.065 > 1 2 S 0.33333333333333 0.37640220069977 0.27440682082588 32.065 > 1 3 S 0.66666666666667 0.37640220069977 0.27440682082588 32.065 > 1 4 S 0.00000000000000 0.37640220069977 0.77440682082588 32.065 > 1 5 S 0.33333333333333 0.37640220069977 0.77440682082588 32.065 > 1 6 S 0.66666666666667 0.37640220069977 0.77440682082588 32.065 > 1 7 S 0.16666666666667 0.12359779930023 0.22559317917412 32.065 > 7 8 S 0.50000000000000 0.12359779930023 0.22559317917412 32.065 > 7 9 S 0.83333333333333 0.12359779930023 0.22559317917412 32.065 > 7 10 S 0.16666666666667 0.12359779930023 0.72559317917412 32.065 > 7 11 S 0.50000000000000 0.12359779930023 0.72559317917412 32.065 > 7 12 S 0.83333333333333 0.12359779930023 0.72559317917412 32.065 > 7 13 S 0.16666666666667 0.12359779930023 0.02440682082588 32.065 > 13 14 S 0.50000000000000 0.12359779930023 0.02440682082588 32.065 > 13 15 S 0.83333333333333 0.12359779930023 0.02440682082588 32.065 > 13 16 S 0.16666666666667 0.12359779930023 0.52440682082588 32.065 > 13 17 S 0.50000000000000 0.12359779930023 0.52440682082588 32.065 > 13 18 S 0.83333333333333 0.12359779930023 0.52440682082588 32.065 > 13 19 S 0.00000000000000 0.06287687208347 0.37500000000000 32.065 > 19 20 S 0.33333333333333 0.06287687208347 0.37500000000000 32.065 > 19 21 S 0.66666666666667 0.06287687208347 0.37500000000000 32.065 > 19 22 S 0.00000000000000 0.06287687208347 0.87500000000000 32.065 > 19 23 S 0.33333333333333 0.06287687208347 0.87500000000000 32.065 > 19 24 S 0.66666666666667 0.06287687208347 0.87500000000000 32.065 > 19 25 S 0.16666666666667 0.43712312791653 0.12500000000000 32.065 > 25 26 S 0.50000000000000 0.43712312791653 0.12500000000000 32.065 > 25 27 S 0.83333333333333 0.43712312791653 0.12500000000000 32.065 > 25 28 S 0.16666666666667 0.43712312791653 0.62500000000000 32.065 > 25 29 S 0.50000000000000 0.43712312791653 0.62500000000000 32.065 > 25 30 S 0.83333333333333 0.43712312791653 0.62500000000000 32.065 > 25 31 S 0.00000000000000 0.37640220069977 0.47559317917412 32.065 > 31 32 S 0.33333333333333 0.37640220069977 0.47559317917412 32.065 > 31 33 S 0.66666666666667 0.37640220069977 0.47559317917412 32.065 > 31 34 S 0.00000000000000 0.37640220069977 0.97559317917412 32.065 > 31 35 S 0.33333333333333 0.37640220069977 0.97559317917412 32.065 > 31 36 S 0.66666666666667 0.37640220069977 0.97559317917412 32.065 > 31 37 S 0.16666666666667 0.87640220069977 0.27440682082588 32.065 > 1 38 S 0.50000000000000 0.87640220069977 0.27440682082588 32.065 > 1 39 S 0.83333333333333 0.87640220069977 0.27440682082588 32.065 > 1 40 S 0.16666666666667 0.87640220069977 0.77440682082588 32.065 > 1 41 S 0.50000000000000 0.87640220069977 0.77440682082588 32.065 > 1 42 S 0.83333333333333 0.87640220069977 0.77440682082588 32.065 > 1 43 S 0.00000000000000 0.62359779930023 0.22559317917412 32.065 > 7 44 S 0.33333333333333 0.62359779930023 0.22559317917412 32.065 > 7 45 S 0.66666666666667 0.62359779930023 0.22559317917412 32.065 > 7 46 S 0.00000000000000 0.62359779930023 0.72559317917412 32.065 > 7 47 S 0.33333333333333 0.62359779930023 0.72559317917412 32.065 > 7 48 S 0.66666666666667 0.62359779930023 0.72559317917412 32.065 > 7 49 S 0.00000000000000 0.62359779930023 0.02440682082588 32.065 > 13 50 S 0.33333333333333 0.62359779930023 0.02440682082588 32.065 > 13 51 S 0.66666666666667 0.62359779930023 0.02440682082588 32.065 > 13 52 S 0.00000000000000 0.62359779930023 0.52440682082588 32.065 > 13 53 S 0.33333333333333 0.62359779930023 0.52440682082588 32.065 > 13 54 S 0.66666666666667 0.62359779930023 0.52440682082588 32.065 > 13 55 S 0.16666666666667 0.56287687208347 0.37500000000000 32.065 > 19 56 S 0.50000000000000 0.56287687208347 0.37500000000000 32.065 > 19 57 S 0.83333333333333 0.56287687208347 0.37500000000000 32.065 > 19 58 S 0.16666666666667 0.56287687208347 0.87500000000000 32.065 > 19 59 S 0.50000000000000 0.56287687208347 0.87500000000000 32.065 > 19 60 S 0.83333333333333 0.56287687208347 0.87500000000000 32.065 > 19 61 S 0.00000000000000 0.93712312791653 0.12500000000000 32.065 > 25 62 S 0.33333333333333 0.93712312791653 0.12500000000000 32.065 > 25 63 S 0.66666666666667 0.93712312791653 0.12500000000000 32.065 > 25 64 S 0.00000000000000 0.93712312791653 0.62500000000000 32.065 > 25 65 S 0.33333333333333 0.93712312791653 0.62500000000000 32.065 > 25 66 S 0.66666666666667 0.93712312791653 0.62500000000000 32.065 > 25 67 S 0.16666666666667 0.87640220069977 0.47559317917412 32.065 > 31 68 S 0.50000000000000 0.87640220069977 0.47559317917412 32.065 > 31 69 S 0.83333333333333 0.87640220069977 0.47559317917412 32.065 > 31 70 S 0.16666666666667 0.87640220069977 0.97559317917412 32.065 > 31 71 S 0.50000000000000 0.87640220069977 0.97559317917412 32.065 > 31 72 S 0.83333333333333 0.87640220069977 0.97559317917412 32.065 > 31 73 Cu 0.00000000000000 0.46174616001856 0.37500000000000 63.546 > 73 74 Cu 0.33333333333333 0.46174616001856 0.37500000000000 63.546 > 73 75 Cu 0.66666666666667 0.46174616001856 0.37500000000000 63.546 > 73 76 Cu 0.00000000000000 0.46174616001856 0.87500000000000 63.546 > 73 77 Cu 0.33333333333333 0.46174616001856 0.87500000000000 63.546 > 73 78 Cu 0.66666666666667 0.46174616001856 0.87500000000000 63.546 > 73 79 Cu 0.16666666666667 0.03825383998144 0.12500000000000 63.546 > 79 80 Cu 0.50000000000000 0.03825383998144 0.12500000000000 63.546 > 79 81 Cu 0.83333333333333 0.03825383998144 0.12500000000000 63.546 > 79 82 Cu 0.16666666666667 0.03825383998144 0.62500000000000 63.546 > 79 83 Cu 0.50000000000000 0.03825383998144 0.62500000000000 63.546 > 79 84 Cu 0.83333333333333 0.03825383998144 0.62500000000000 63.546 > 79 85 Cu 0.16666666666667 0.96174616001856 0.37500000000000 63.546 > 73 86 Cu 0.50000000000000 0.96174616001856 0.37500000000000 63.546 > 73 87 Cu 0.83333333333333 0.96174616001856 0.37500000000000 63.546 > 73 88 Cu 0.16666666666667 0.96174616001856 0.87500000000000 63.546 > 73 89 Cu 0.50000000000000 0.96174616001856 0.87500000000000 63.546 > 73 90 Cu 0.83333333333333 0.96174616001856 0.87500000000000 63.546 > 73 91 Cu 0.00000000000000 0.53825383998144 0.12500000000000 63.546 > 79 92 Cu 0.33333333333333 0.53825383998144 0.12500000000000 63.546 > 79 93 Cu 0.66666666666667 0.53825383998144 0.12500000000000 63.546 > 79 94 Cu 0.00000000000000 0.53825383998144 0.62500000000000 63.546 > 79 95 Cu 0.33333333333333 0.53825383998144 0.62500000000000 63.546 > 79 96 Cu 0.66666666666667 0.53825383998144 0.62500000000000 63.546 > 79 97 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 97 98 Hf 0.33333333333333 0.00000000000000 0.25000000000000 178.490 > 97 99 Hf 0.66666666666667 0.00000000000000 0.25000000000000 178.490 > 97 100 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 97 101 Hf 0.33333333333333 0.00000000000000 0.75000000000000 178.490 > 97 102 Hf 0.66666666666667 0.00000000000000 0.75000000000000 178.490 > 97 103 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 103 104 Hf 0.33333333333333 0.00000000000000 0.00000000000000 178.490 > 103 105 Hf 0.66666666666667 0.00000000000000 0.00000000000000 178.490 > 103 106 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 103 107 Hf 0.33333333333333 0.00000000000000 0.50000000000000 178.490 > 103 108 Hf 0.66666666666667 0.00000000000000 0.50000000000000 178.490 > 103 109 Hf 0.16666666666667 0.50000000000000 0.25000000000000 178.490 > 97 110 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 97 111 Hf 0.83333333333333 0.50000000000000 0.25000000000000 178.490 > 97 112 Hf 0.16666666666667 0.50000000000000 0.75000000000000 178.490 > 97 113 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 97 114 Hf 0.83333333333333 0.50000000000000 0.75000000000000 178.490 > 97 115 Hf 0.16666666666667 0.50000000000000 0.00000000000000 178.490 > 103 116 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 103 117 Hf 0.83333333333333 0.50000000000000 0.00000000000000 178.490 > 103 118 Hf 0.16666666666667 0.50000000000000 0.50000000000000 178.490 > 103 119 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 103 120 Hf 0.83333333333333 0.50000000000000 0.50000000000000 178.490 > 103 121 Tl 0.00000000000000 0.25444191961166 0.12500000000000 204.383 > 121 122 Tl 0.33333333333333 0.25444191961166 0.12500000000000 204.383 > 121 123 Tl 0.66666666666667 0.25444191961166 0.12500000000000 204.383 > 121 124 Tl 0.00000000000000 0.25444191961166 0.62500000000000 204.383 > 121 125 Tl 0.33333333333333 0.25444191961166 0.62500000000000 204.383 > 121 126 Tl 0.66666666666667 0.25444191961166 0.62500000000000 204.383 > 121 127 Tl 0.16666666666667 0.24555808038834 0.37500000000000 204.383 > 127 128 Tl 0.50000000000000 0.24555808038834 0.37500000000000 204.383 > 127 129 Tl 0.83333333333333 0.24555808038834 0.37500000000000 204.383 > 127 130 Tl 0.16666666666667 0.24555808038834 0.87500000000000 204.383 > 127 131 Tl 0.50000000000000 0.24555808038834 0.87500000000000 204.383 > 127 132 Tl 0.83333333333333 0.24555808038834 0.87500000000000 204.383 > 127 133 Tl 0.16666666666667 0.75444191961166 0.12500000000000 204.383 > 121 134 Tl 0.50000000000000 0.75444191961166 0.12500000000000 204.383 > 121 135 Tl 0.83333333333333 0.75444191961166 0.12500000000000 204.383 > 121 136 Tl 0.16666666666667 0.75444191961166 0.62500000000000 204.383 > 121 137 Tl 0.50000000000000 0.75444191961166 0.62500000000000 204.383 > 121 138 Tl 0.83333333333333 0.75444191961166 0.62500000000000 204.383 > 121 139 Tl 0.00000000000000 0.74555808038834 0.37500000000000 204.383 > 127 140 Tl 0.33333333333333 0.74555808038834 0.37500000000000 204.383 > 127 141 Tl 0.66666666666667 0.74555808038834 0.37500000000000 204.383 > 127 142 Tl 0.00000000000000 0.74555808038834 0.87500000000000 204.383 > 127 143 Tl 0.33333333333333 0.74555808038834 0.87500000000000 204.383 > 127 144 Tl 0.66666666666667 0.74555808038834 0.87500000000000 204.383 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.8172513 0.0000000 0.0000000 0.0000000 9.1470097 0.0000000 0.0000000 0.0000000 12.9851814 -------------------------- Born effective charges -------------------------- 1 S -4.6828321 0.0000000 0.0000000 0.0000000 -2.4117785 0.2041793 0.0000000 0.6987560 -2.1474388 2 S -4.6828321 0.0000000 0.0000000 0.0000000 -2.4117785 0.2041793 0.0000000 0.6987560 -2.1474388 3 S -4.6828321 0.0000000 0.0000000 0.0000000 -2.4117785 -0.2041793 0.0000000 -0.6987560 -2.1474388 4 S -1.2205916 0.0000000 0.0000000 0.0000000 -1.7689485 0.0000000 0.0000000 0.0000000 -5.5019381 5 S -1.2205916 0.0000000 0.0000000 0.0000000 -1.7689485 0.0000000 0.0000000 0.0000000 -5.5019381 6 S -4.6828321 0.0000000 0.0000000 0.0000000 -2.4117785 -0.2041793 0.0000000 -0.6987560 -2.1474388 7 Cu 0.3471505 0.0000000 0.0000000 0.0000000 0.1923610 0.0000000 0.0000000 0.0000000 -0.2679213 8 Cu 0.3471505 0.0000000 0.0000000 0.0000000 0.1923610 0.0000000 0.0000000 0.0000000 -0.2679213 9 Hf 8.2517483 0.0000000 0.0000000 0.0000000 3.1046883 0.3655117 0.0000000 -0.1380789 8.0040962 10 Hf 8.2517483 0.0000000 0.0000000 0.0000000 3.1046883 -0.3655117 0.0000000 0.1380789 8.0040962 11 Tl 1.9873568 0.0000000 0.0000000 0.0000000 3.2954562 0.0000000 0.0000000 0.0000000 2.0606408 12 Tl 1.9873568 0.0000000 0.0000000 0.0000000 3.2954562 0.0000000 0.0000000 0.0000000 2.0606408 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zyz) -0.00000000 (zyz) -0.00000000 (zzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 307, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.970 ( 0.000 0.000 0.000) 0.000 0.996 ( 0.000 0.000 0.000) 0.000 1.211 ( 0.000 0.000 0.000) 0.000 1.356 ( 0.000 0.000 0.000) 0.000 1.384 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.656 ( 0.000 0.000 0.000) 0.000 7.907 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 8.341 ( 0.000 0.000 0.000) 0.000 8.924 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 9.442 ( 0.000 0.000 0.000) 0.000 9.666 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 18.749 1.688 0.000) 18.825 0.402 ( 17.545 -2.571 0.000) 17.732 0.723 ( 29.406 -8.017 0.000) 30.479 1.029 ( 5.681 0.046 0.000) 5.681 1.030 ( 3.929 0.383 0.000) 3.947 1.251 ( -6.682 1.058 0.000) 6.765 1.337 ( 5.200 0.243 0.000) 5.206 1.400 ( 9.400 0.357 0.000) 9.406 1.878 ( 17.778 0.338 0.000) 17.782 1.910 ( -1.373 -2.514 0.000) 2.865 2.268 ( 4.757 -1.242 0.000) 4.917 2.392 ( 10.626 0.006 0.000) 10.626 2.589 ( 4.008 -0.144 0.000) 4.011 2.671 ( 1.129 0.606 0.000) 1.281 2.734 ( 1.900 -0.123 0.000) 1.904 3.147 ( -1.484 -0.519 0.000) 1.572 3.598 ( -2.582 0.126 0.000) 2.585 4.095 ( -2.029 -0.226 0.000) 2.041 4.677 ( 35.038 0.104 0.000) 35.038 6.310 ( -0.185 -0.279 0.000) 0.335 6.925 ( -2.462 0.057 0.000) 2.463 7.064 ( 2.340 0.109 0.000) 2.342 7.421 ( 14.173 56.490 0.000) 58.241 7.548 ( -0.967 0.027 0.000) 0.968 7.617 ( 0.551 -0.188 0.000) 0.583 7.636 ( -1.946 0.188 0.000) 1.956 7.918 ( 3.249 4.407 0.000) 5.475 7.952 ( 5.891 -0.847 0.000) 5.951 8.074 ( 6.003 14.454 0.000) 15.651 8.309 ( -2.818 -2.607 0.000) 3.839 8.360 ( -3.630 -19.959 0.000) 20.286 8.962 ( -4.753 -16.714 0.000) 17.377 9.122 ( -0.641 -0.162 0.000) 0.661 9.425 ( -1.780 0.058 0.000) 1.781 9.625 ( -4.003 0.162 0.000) 4.007 10.433 ( -2.077 0.098 0.000) 2.080 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 7.689 -2.124 0.000) 7.977 0.706 ( 16.635 3.156 0.000) 16.932 1.114 ( -2.210 3.351 0.000) 4.014 1.161 ( 12.045 -3.533 0.000) 12.552 1.173 ( 9.576 -1.315 0.000) 9.666 1.185 ( 7.793 -1.516 0.000) 7.940 1.326 ( -1.226 0.676 0.000) 1.400 1.844 ( 25.922 -0.806 0.000) 25.934 1.907 ( 2.313 -0.579 0.000) 2.385 2.282 ( 22.263 1.656 0.000) 22.325 2.391 ( 6.777 -2.519 0.000) 7.230 2.617 ( 8.921 0.918 0.000) 8.968 2.683 ( 4.793 -0.345 0.000) 4.806 2.763 ( 11.962 0.248 0.000) 11.964 2.794 ( 4.208 -0.272 0.000) 4.217 3.117 ( -1.746 -0.860 0.000) 1.946 3.528 ( -4.431 0.201 0.000) 4.435 4.048 ( -2.681 -0.300 0.000) 2.698 5.532 ( 48.741 0.311 0.000) 48.742 6.314 ( 0.739 -0.273 0.000) 0.788 6.852 ( -4.635 0.443 0.000) 4.656 7.121 ( 3.273 -0.122 0.000) 3.275 7.411 ( 5.054 20.668 0.000) 21.277 7.526 ( -1.126 -0.002 0.000) 1.126 7.581 ( -3.384 0.248 0.000) 3.393 7.608 ( -2.835 -1.362 0.000) 3.145 7.961 ( 6.387 11.341 0.000) 13.016 8.118 ( 10.392 6.686 0.000) 12.357 8.159 ( 7.076 2.607 0.000) 7.541 8.254 ( -2.699 -2.408 0.000) 3.617 8.403 ( -0.021 -9.265 0.000) 9.265 8.960 ( -2.147 -9.926 0.000) 10.156 9.107 ( -0.915 -0.348 0.000) 0.979 9.373 ( -3.428 0.078 0.000) 3.429 9.516 ( -6.685 0.301 0.000) 6.692 10.381 ( -2.825 0.139 0.000) 2.829 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 1.567 -1.213 0.000) 1.982 0.980 ( 12.768 3.106 0.000) 13.141 1.028 ( -3.817 1.477 0.000) 4.093 1.269 ( 0.053 1.847 0.000) 1.848 1.347 ( 6.953 -1.128 0.000) 7.044 1.391 ( 7.534 -0.338 0.000) 7.542 1.408 ( 11.692 -0.346 0.000) 11.697 1.931 ( 2.905 0.548 0.000) 2.956 2.318 ( 16.244 -1.218 0.000) 16.290 2.454 ( 1.172 -0.420 0.000) 1.245 2.753 ( 2.033 -0.666 0.000) 2.139 2.772 ( 24.422 0.152 0.000) 24.423 2.791 ( 11.815 -0.107 0.000) 11.816 2.906 ( 6.997 -0.361 0.000) 7.007 3.088 ( 8.581 0.170 0.000) 8.583 3.108 ( 10.708 -0.761 0.000) 10.735 3.427 ( -5.577 0.227 0.000) 5.581 4.002 ( -1.924 -0.101 0.000) 1.927 6.346 ( 4.002 0.327 0.000) 4.015 6.475 ( 44.117 0.100 0.000) 44.117 6.751 ( -4.910 1.318 0.000) 5.084 7.185 ( 2.891 -0.536 0.000) 2.940 7.400 ( 0.598 7.088 0.000) 7.114 7.500 ( -2.153 0.665 0.000) 2.253 7.516 ( -6.039 -0.773 0.000) 6.088 7.519 ( -1.656 -0.636 0.000) 1.773 8.067 ( 7.917 7.291 0.000) 10.762 8.110 ( -4.433 2.597 0.000) 5.138 8.273 ( 5.528 2.192 0.000) 5.947 8.399 ( 9.237 -0.929 0.000) 9.284 8.469 ( 7.740 0.501 0.000) 7.756 8.989 ( 0.871 -6.773 0.000) 6.829 9.092 ( -0.870 -0.522 0.000) 1.015 9.292 ( -4.769 0.059 0.000) 4.769 9.374 ( -7.383 0.092 0.000) 7.383 10.333 ( -1.781 0.079 0.000) 1.782 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -0.081 -0.454 0.000) 0.461 0.953 ( -3.469 0.193 0.000) 3.474 1.168 ( 7.642 1.693 0.000) 7.827 1.246 ( -0.874 1.335 0.000) 1.595 1.486 ( 5.451 0.991 0.000) 5.540 1.502 ( 5.974 2.927 0.000) 6.652 1.612 ( 8.646 -0.214 0.000) 8.649 1.997 ( 2.868 -1.428 0.000) 3.204 2.408 ( -5.783 -0.073 0.000) 5.783 2.517 ( 6.363 0.442 0.000) 6.378 2.745 ( -2.810 -1.240 0.000) 3.072 3.057 ( 8.061 -0.202 0.000) 8.063 3.065 ( 13.094 -0.218 0.000) 13.096 3.107 ( 1.477 -0.078 0.000) 1.479 3.228 ( 19.240 0.541 0.000) 19.248 3.321 ( -2.695 0.182 0.000) 2.701 3.489 ( 18.974 -0.160 0.000) 18.975 3.978 ( -0.479 0.171 0.000) 0.509 6.434 ( 5.828 0.228 0.000) 5.832 6.656 ( -3.655 2.664 0.000) 4.523 7.161 ( 16.779 1.463 0.000) 16.843 7.243 ( 3.663 -1.271 0.000) 3.877 7.311 ( -7.323 -0.267 0.000) 7.327 7.458 ( 0.057 0.278 0.000) 0.284 7.515 ( 0.301 -0.488 0.000) 0.574 7.527 ( 12.778 -0.266 0.000) 12.781 7.982 ( -5.380 3.321 0.000) 6.323 8.186 ( 4.181 1.710 0.000) 4.517 8.316 ( 0.154 -0.130 0.000) 0.202 8.527 ( 7.759 4.429 0.000) 8.934 8.724 ( 14.537 0.917 0.000) 14.565 9.066 ( 4.143 -3.714 0.000) 5.565 9.079 ( -0.725 -0.628 0.000) 0.960 9.190 ( -5.475 0.007 0.000) 5.475 9.241 ( -5.937 -0.781 0.000) 5.988 10.318 ( 0.314 -0.078 0.000) 0.323 ======================= Grid point 5 (6/171) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -0.353 0.203 0.000) 0.407 0.890 ( -3.126 -1.073 0.000) 3.305 1.225 ( -0.625 0.832 0.000) 1.041 1.260 ( 2.393 0.790 0.000) 2.520 1.534 ( 2.933 6.461 0.000) 7.096 1.622 ( 5.903 0.081 0.000) 5.903 1.747 ( 5.185 -0.150 0.000) 5.188 2.019 ( -2.571 -3.212 0.000) 4.114 2.248 ( -9.618 0.507 0.000) 9.632 2.612 ( 3.911 0.701 0.000) 3.974 2.698 ( -1.152 -0.621 0.000) 1.309 3.119 ( 0.286 0.361 0.000) 0.461 3.198 ( -1.235 0.214 0.000) 1.253 3.209 ( 3.142 -0.124 0.000) 3.145 3.285 ( 8.493 -0.008 0.000) 8.493 3.626 ( 16.711 0.546 0.000) 16.720 3.806 ( 12.669 0.407 0.000) 12.675 3.983 ( 1.208 0.091 0.000) 1.212 6.566 ( 7.361 0.304 0.000) 7.368 6.574 ( -3.100 4.245 0.000) 5.257 7.183 ( -5.538 -2.614 0.000) 6.123 7.217 ( -1.153 0.802 0.000) 1.405 7.268 ( -1.459 -0.959 0.000) 1.745 7.472 ( 0.464 -1.965 0.000) 2.019 7.532 ( 1.309 -0.115 0.000) 1.314 7.873 ( -3.426 4.654 0.000) 5.779 7.963 ( 22.070 -0.348 0.000) 22.073 8.198 ( -1.677 0.023 0.000) 1.677 8.320 ( 0.298 0.038 0.000) 0.300 8.648 ( 6.308 4.999 0.000) 8.049 8.978 ( 10.788 -0.686 0.000) 10.810 9.068 ( -1.160 -0.451 0.000) 1.245 9.086 ( -4.458 -0.219 0.000) 4.463 9.164 ( -1.243 -1.696 0.000) 2.103 9.178 ( 4.488 -1.700 0.000) 4.799 10.343 ( 1.911 -0.240 0.000) 1.926 ======================= Grid point 6 (7/171) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -0.125 0.664 0.000) 0.676 0.844 ( -2.231 -1.564 0.000) 2.724 1.208 ( -0.832 0.719 0.000) 1.099 1.269 ( -0.394 0.807 0.000) 0.898 1.548 ( 1.491 4.494 0.000) 4.735 1.728 ( 5.072 0.430 0.000) 5.090 1.819 ( 2.136 -0.113 0.000) 2.139 1.935 ( -6.742 -3.315 0.000) 7.513 2.068 ( -7.279 0.653 0.000) 7.308 2.672 ( 2.828 0.330 0.000) 2.847 2.714 ( 1.555 -0.004 0.000) 1.555 3.110 ( -0.825 0.332 0.000) 0.889 3.125 ( -2.739 0.119 0.000) 2.741 3.309 ( 3.659 -0.049 0.000) 3.659 3.405 ( 3.866 0.061 0.000) 3.866 3.877 ( 8.932 0.364 0.000) 8.939 3.948 ( 2.575 0.768 0.000) 2.687 4.044 ( 4.400 -0.156 0.000) 4.403 6.495 ( -2.513 3.546 0.000) 4.347 6.699 ( 5.771 0.285 0.000) 5.778 7.129 ( -1.724 -2.790 0.000) 3.279 7.183 ( -1.369 0.549 0.000) 1.475 7.235 ( -2.182 -0.917 0.000) 2.367 7.486 ( -0.274 -2.142 0.000) 2.160 7.561 ( 1.344 0.084 0.000) 1.346 7.806 ( -1.106 3.773 0.000) 3.932 8.158 ( -1.824 0.309 0.000) 1.850 8.292 ( 11.160 -0.113 0.000) 11.161 8.320 ( -0.246 -0.011 0.000) 0.246 8.708 ( 2.095 2.847 0.000) 3.534 9.000 ( -3.127 -0.039 0.000) 3.128 9.066 ( -0.350 -0.441 0.000) 0.563 9.130 ( 3.909 -1.068 0.000) 4.052 9.184 ( 2.728 -1.237 0.000) 2.995 9.272 ( 3.447 -0.635 0.000) 3.505 10.383 ( 1.749 -0.233 0.000) 1.765 ======================= Grid point 7 (8/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 -0.000 0.000) 0.000 0.825 ( 0.000 -0.000 0.000) 0.000 1.193 ( 0.000 -0.000 0.000) 0.000 1.261 ( 0.000 -0.000 0.000) 0.000 1.551 ( 0.000 -0.000 0.000) 0.000 1.821 ( -0.000 -0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 -0.000 0.000) 0.000 1.992 ( 0.000 -0.000 0.000) 0.000 2.706 ( 0.000 -0.000 0.000) 0.000 2.730 ( 0.000 -0.000 0.000) 0.000 3.097 ( 0.000 -0.000 0.000) 0.000 3.098 ( 0.000 -0.000 0.000) 0.000 3.345 ( 0.000 -0.000 0.000) 0.000 3.442 ( 0.000 -0.000 0.000) 0.000 3.965 ( 0.000 -0.000 0.000) 0.000 3.965 ( 0.000 -0.000 0.000) 0.000 4.092 ( 0.000 -0.000 0.000) 0.000 6.458 ( 0.000 -0.000 0.000) 0.000 6.761 ( 0.000 -0.000 0.000) 0.000 7.124 ( 0.000 -0.000 0.000) 0.000 7.168 ( 0.000 -0.000 0.000) 0.000 7.211 ( 0.000 -0.000 0.000) 0.000 7.487 ( 0.000 -0.000 0.000) 0.000 7.575 ( 0.000 -0.000 0.000) 0.000 7.787 ( 0.000 -0.000 0.000) 0.000 8.137 ( 0.000 -0.000 0.000) 0.000 8.317 ( 0.000 -0.000 0.000) 0.000 8.401 ( 0.000 -0.000 0.000) 0.000 8.718 ( 0.000 -0.000 0.000) 0.000 8.968 ( 0.000 -0.000 0.000) 0.000 9.063 ( 0.000 -0.000 0.000) 0.000 9.167 ( 0.000 -0.000 0.000) 0.000 9.224 ( 0.000 -0.000 0.000) 0.000 9.309 ( 0.000 -0.000 0.000) 0.000 10.402 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/171) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 8.170 0.000 0.000) 8.170 0.726 ( 16.554 0.000 0.000) 16.554 1.135 ( -5.317 -0.000 0.000) 5.317 1.135 ( 15.176 0.000 0.000) 15.176 1.171 ( 8.218 0.000 0.000) 8.218 1.174 ( 10.600 0.000 0.000) 10.600 1.329 ( -1.428 -0.000 0.000) 1.428 1.839 ( 27.676 0.000 0.000) 27.676 1.905 ( 0.730 0.000 0.000) 0.730 2.292 ( 23.546 0.000 0.000) 23.546 2.377 ( 5.701 0.000 0.000) 5.701 2.622 ( 9.003 0.000 0.000) 9.003 2.681 ( 4.748 0.000 0.000) 4.748 2.764 ( 11.755 0.000 0.000) 11.755 2.793 ( 4.203 0.000 0.000) 4.203 3.113 ( -1.690 -0.000 0.000) 1.690 3.529 ( -4.442 -0.000 0.000) 4.442 4.047 ( -2.627 -0.000 0.000) 2.627 5.533 ( 48.767 0.000 0.000) 48.767 6.313 ( 0.797 0.000 0.000) 0.797 6.855 ( -4.511 -0.000 0.000) 4.511 7.121 ( 3.191 0.000 0.000) 3.191 7.526 ( -1.123 -0.000 0.000) 1.123 7.529 ( -2.420 -0.000 0.000) 2.420 7.583 ( -3.443 -0.000 0.000) 3.443 7.588 ( -3.391 -0.000 0.000) 3.391 8.023 ( 5.530 0.000 0.000) 5.530 8.152 ( 11.756 0.000 0.000) 11.756 8.236 ( -4.200 -0.000 0.000) 4.200 8.266 ( 1.539 0.000 0.000) 1.539 8.273 ( 7.684 0.000 0.000) 7.684 8.903 ( -0.135 -0.000 0.000) 0.135 9.106 ( -0.921 -0.000 0.000) 0.921 9.373 ( -3.440 -0.000 0.000) 3.440 9.518 ( -6.711 -0.000 0.000) 6.711 10.382 ( -2.844 -0.000 0.000) 2.844 ======================= Grid point 17 (10/171) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 2.005 -0.436 0.000) 2.052 1.004 ( 12.024 1.309 0.000) 12.095 1.039 ( -4.421 0.529 0.000) 4.453 1.284 ( -0.651 0.979 0.000) 1.175 1.336 ( 7.824 -0.766 0.000) 7.861 1.387 ( 9.220 -0.240 0.000) 9.224 1.406 ( 11.815 -0.137 0.000) 11.816 1.934 ( 2.329 0.191 0.000) 2.337 2.309 ( 17.215 -0.478 0.000) 17.222 2.451 ( 1.144 -0.117 0.000) 1.150 2.748 ( 1.501 -0.268 0.000) 1.524 2.773 ( 24.785 0.034 0.000) 24.785 2.791 ( 11.669 0.019 0.000) 11.669 2.903 ( 7.004 -0.135 0.000) 7.005 3.091 ( 2.707 0.293 0.000) 2.722 3.101 ( 16.771 -0.482 0.000) 16.778 3.429 ( -5.601 0.081 0.000) 5.601 4.002 ( -1.805 -0.034 0.000) 1.805 6.349 ( 3.199 0.143 0.000) 3.202 6.475 ( 45.058 0.008 0.000) 45.058 6.760 ( -4.683 0.453 0.000) 4.705 7.181 ( 2.776 -0.192 0.000) 2.782 7.460 ( -4.241 4.582 0.000) 6.244 7.499 ( -4.709 -2.449 0.000) 5.308 7.507 ( -1.742 0.603 0.000) 1.844 7.513 ( -2.195 -0.592 0.000) 2.273 8.118 ( -2.156 2.333 0.000) 3.177 8.131 ( 2.178 1.376 0.000) 2.576 8.295 ( 2.345 1.488 0.000) 2.777 8.391 ( 10.037 -0.419 0.000) 10.046 8.474 ( 12.318 0.378 0.000) 12.324 8.934 ( 2.507 -3.201 0.000) 4.066 9.088 ( -0.868 -0.183 0.000) 0.887 9.292 ( -4.790 0.017 0.000) 4.790 9.374 ( -7.587 0.031 0.000) 7.587 10.333 ( -1.830 0.029 0.000) 1.830 ======================= Grid point 18 (11/171) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.236 -0.250 0.000) 0.343 0.954 ( -4.041 0.098 0.000) 4.042 1.182 ( 6.835 0.912 0.000) 6.895 1.257 ( -1.204 0.784 0.000) 1.437 1.484 ( 6.676 -0.422 0.000) 6.689 1.536 ( 6.448 2.604 0.000) 6.954 1.610 ( 8.698 -0.125 0.000) 8.699 1.984 ( 1.957 -0.914 0.000) 2.160 2.408 ( -5.534 -0.020 0.000) 5.534 2.521 ( 6.709 0.273 0.000) 6.715 2.734 ( -2.741 -0.772 0.000) 2.848 3.056 ( 8.111 -0.106 0.000) 8.112 3.064 ( 13.619 -0.088 0.000) 13.619 3.106 ( 1.334 -0.072 0.000) 1.336 3.232 ( 19.293 0.287 0.000) 19.295 3.323 ( -2.720 0.098 0.000) 2.722 3.488 ( 19.069 -0.042 0.000) 19.070 3.980 ( -0.424 0.096 0.000) 0.435 6.436 ( 5.852 0.130 0.000) 5.854 6.677 ( -3.216 1.380 0.000) 3.500 7.176 ( 17.895 1.201 0.000) 17.935 7.230 ( 2.877 -1.110 0.000) 3.084 7.310 ( -8.547 0.018 0.000) 8.547 7.459 ( -0.837 0.025 0.000) 0.837 7.511 ( 0.479 -0.262 0.000) 0.546 7.525 ( 12.213 -0.145 0.000) 12.214 8.010 ( -4.908 1.964 0.000) 5.286 8.199 ( 2.101 0.793 0.000) 2.246 8.316 ( 0.456 0.131 0.000) 0.475 8.563 ( 8.561 2.437 0.000) 8.901 8.736 ( 13.766 1.277 0.000) 13.825 9.031 ( 5.482 -2.833 0.000) 6.171 9.074 ( -0.695 -0.340 0.000) 0.773 9.190 ( -5.509 -0.005 0.000) 5.509 9.234 ( -6.410 -0.488 0.000) 6.428 10.317 ( 0.243 -0.042 0.000) 0.247 ======================= Grid point 19 (12/171) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -0.053 0.153 0.000) 0.162 0.881 ( -3.587 -0.767 0.000) 3.668 1.233 ( -0.854 0.585 0.000) 1.035 1.267 ( 2.280 0.488 0.000) 2.332 1.586 ( 3.694 2.996 0.000) 4.757 1.631 ( 5.377 2.062 0.000) 5.759 1.746 ( 5.213 -0.107 0.000) 5.214 1.987 ( -3.338 -2.916 0.000) 4.432 2.253 ( -9.436 0.356 0.000) 9.443 2.621 ( 4.070 0.926 0.000) 4.174 2.689 ( -1.020 -0.951 0.000) 1.395 3.122 ( 0.346 0.290 0.000) 0.452 3.200 ( -0.297 0.248 0.000) 0.387 3.207 ( 2.202 -0.187 0.000) 2.210 3.285 ( 8.599 -0.003 0.000) 8.599 3.631 ( 16.662 0.376 0.000) 16.666 3.811 ( 13.203 0.435 0.000) 13.211 3.983 ( 0.855 -0.059 0.000) 0.857 6.568 ( 7.369 0.214 0.000) 7.372 6.611 ( -2.851 2.840 0.000) 4.024 7.162 ( -6.104 -1.523 0.000) 6.291 7.226 ( -1.016 0.773 0.000) 1.276 7.259 ( -1.818 -0.894 0.000) 2.026 7.455 ( -0.134 -1.392 0.000) 1.399 7.532 ( 1.472 -0.063 0.000) 1.474 7.915 ( -3.328 3.355 0.000) 4.726 7.960 ( 22.211 -0.247 0.000) 22.212 8.196 ( -1.821 -0.434 0.000) 1.872 8.323 ( 0.411 0.457 0.000) 0.614 8.693 ( 5.602 3.543 0.000) 6.628 8.973 ( 10.226 -0.182 0.000) 10.227 9.064 ( -0.666 -0.315 0.000) 0.736 9.084 ( -4.899 -0.149 0.000) 4.901 9.148 ( -1.484 -1.327 0.000) 1.991 9.161 ( 5.313 -1.645 0.000) 5.561 10.341 ( 1.874 -0.165 0.000) 1.881 ======================= Grid point 20 (13/171) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.054 0.818 0.000) 0.820 0.827 ( -2.163 -1.550 0.000) 2.661 1.215 ( -0.732 0.617 0.000) 0.957 1.276 ( -0.704 0.501 0.000) 0.864 1.599 ( 0.302 5.346 0.000) 5.355 1.730 ( 5.126 0.057 0.000) 5.127 1.818 ( 2.168 -0.087 0.000) 2.170 1.896 ( -6.602 -4.094 0.000) 7.768 2.075 ( -7.416 0.526 0.000) 7.435 2.677 ( 2.549 0.548 0.000) 2.608 2.712 ( 1.708 -0.401 0.000) 1.755 3.114 ( -0.856 0.399 0.000) 0.945 3.126 ( -2.794 0.096 0.000) 2.796 3.308 ( 3.689 -0.041 0.000) 3.689 3.405 ( 3.851 0.058 0.000) 3.851 3.881 ( 8.777 0.286 0.000) 8.781 3.960 ( 2.440 1.542 0.000) 2.887 4.037 ( 4.383 -1.032 0.000) 4.503 6.528 ( -3.788 2.855 0.000) 4.744 6.702 ( 5.701 0.229 0.000) 5.706 7.104 ( -0.886 -2.044 0.000) 2.228 7.189 ( -1.626 0.581 0.000) 1.727 7.226 ( -1.863 -0.874 0.000) 2.058 7.464 ( 0.173 -1.929 0.000) 1.937 7.562 ( 1.355 0.070 0.000) 1.357 7.844 ( -2.133 3.449 0.000) 4.055 8.156 ( -2.111 -0.582 0.000) 2.190 8.291 ( 11.248 -0.095 0.000) 11.248 8.324 ( 0.036 0.722 0.000) 0.723 8.734 ( 0.489 2.081 0.000) 2.137 9.000 ( -3.137 -0.027 0.000) 3.137 9.062 ( -0.161 -0.357 0.000) 0.392 9.120 ( 4.158 -0.925 0.000) 4.260 9.173 ( 3.392 -0.857 0.000) 3.499 9.265 ( 3.831 -0.680 0.000) 3.891 10.381 ( 1.820 -0.187 0.000) 1.829 ======================= Grid point 21 (14/171) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.577 0.172 0.000) 0.602 0.824 ( 1.157 -0.176 0.000) 1.170 1.197 ( -0.449 0.683 0.000) 0.817 1.258 ( -0.598 -0.460 0.000) 0.755 1.560 ( -2.064 1.747 0.000) 2.704 1.802 ( -4.765 -2.668 0.000) 5.461 1.836 ( 6.112 0.801 0.000) 6.164 1.838 ( 0.078 0.007 0.000) 0.079 1.992 ( -0.443 0.015 0.000) 0.443 2.706 ( -0.150 -0.049 0.000) 0.157 2.730 ( -0.069 -0.063 0.000) 0.093 3.097 ( -0.064 0.000 0.000) 0.064 3.099 ( -0.149 0.221 0.000) 0.267 3.345 ( 0.022 -0.001 0.000) 0.022 3.442 ( -0.037 0.002 0.000) 0.037 3.965 ( -0.206 -0.012 0.000) 0.206 3.970 ( -0.166 0.824 0.000) 0.840 4.088 ( -0.226 -0.800 0.000) 0.832 6.458 ( -2.099 -0.068 0.000) 2.100 6.761 ( -0.205 -0.012 0.000) 0.205 7.125 ( 1.830 0.215 0.000) 1.842 7.168 ( -0.319 -0.018 0.000) 0.320 7.211 ( 0.595 0.035 0.000) 0.596 7.482 ( 0.956 -0.884 0.000) 1.302 7.575 ( -0.073 -0.000 0.000) 0.073 7.794 ( -1.829 1.142 0.000) 2.156 8.132 ( -0.512 -0.971 0.000) 1.098 8.322 ( 0.262 0.942 0.000) 0.978 8.401 ( 0.036 -0.003 0.000) 0.036 8.716 ( -1.546 -0.461 0.000) 1.613 8.968 ( 0.030 -0.011 0.000) 0.032 9.063 ( 0.251 0.011 0.000) 0.251 9.165 ( 0.450 -0.287 0.000) 0.534 9.226 ( 0.905 0.445 0.000) 1.009 9.308 ( 0.274 -0.083 0.000) 0.287 10.402 ( 0.145 -0.001 0.000) 0.145 ======================= Grid point 22 (15/171) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.150 -0.489 0.000) 0.511 0.859 ( 2.472 1.375 0.000) 2.829 1.201 ( 0.676 -0.536 0.000) 0.863 1.259 ( 0.115 -1.104 0.000) 1.110 1.509 ( -3.475 -3.183 0.000) 4.712 1.722 ( -4.568 -0.702 0.000) 4.622 1.820 ( -2.106 0.117 0.000) 2.110 1.963 ( 7.134 2.272 0.000) 7.487 2.062 ( 7.121 -0.650 0.000) 7.150 2.670 ( -2.851 -0.048 0.000) 2.851 2.712 ( -1.696 -0.428 0.000) 1.749 3.107 ( 0.738 -0.149 0.000) 0.753 3.124 ( 2.677 -0.120 0.000) 2.680 3.309 ( -3.627 0.047 0.000) 3.627 3.404 ( -3.877 -0.051 0.000) 3.878 3.874 ( -9.100 -0.373 0.000) 9.108 3.945 ( -2.696 0.179 0.000) 2.702 4.041 ( -4.443 -0.763 0.000) 4.508 6.458 ( 1.132 -3.530 0.000) 3.707 6.696 ( -5.840 -0.285 0.000) 5.847 7.160 ( 2.775 3.180 0.000) 4.221 7.178 ( 1.165 -0.467 0.000) 1.255 7.244 ( 2.443 0.838 0.000) 2.583 7.505 ( 1.093 1.469 0.000) 1.831 7.560 ( -1.326 -0.080 0.000) 1.328 7.771 ( -0.499 -3.040 0.000) 3.081 8.149 ( 1.652 -1.212 0.000) 2.049 8.293 ( -11.064 0.107 0.000) 11.065 8.325 ( 0.422 0.884 0.000) 0.979 8.677 ( -3.613 -3.079 0.000) 4.747 9.001 ( 3.136 0.044 0.000) 3.136 9.070 ( 0.541 0.436 0.000) 0.695 9.141 ( -3.377 0.907 0.000) 3.497 9.198 ( -2.400 1.384 0.000) 2.770 9.278 ( -3.130 0.461 0.000) 3.164 10.386 ( -1.670 0.232 0.000) 1.687 ======================= Grid point 23 (16/171) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.682 -0.206 0.000) 0.713 0.902 ( 2.597 1.151 0.000) 2.840 1.216 ( 0.381 -1.009 0.000) 1.079 1.251 ( -2.486 -0.903 0.000) 2.645 1.463 ( -3.539 -7.107 0.000) 7.940 1.624 ( -5.603 0.249 0.000) 5.608 1.749 ( -5.157 0.157 0.000) 5.159 2.051 ( 2.025 2.823 0.000) 3.474 2.243 ( 9.858 -0.552 0.000) 9.873 2.607 ( -3.991 -0.305 0.000) 4.002 2.701 ( 1.610 0.045 0.000) 1.611 3.115 ( -0.250 -0.321 0.000) 0.407 3.196 ( 2.199 -0.163 0.000) 2.205 3.210 ( -4.109 0.060 0.000) 4.110 3.286 ( -8.378 0.017 0.000) 8.378 3.620 ( -16.776 -0.612 0.000) 16.787 3.803 ( -12.259 -0.152 0.000) 12.260 3.981 ( -1.359 -0.335 0.000) 1.400 6.527 ( 3.255 -4.851 0.000) 5.842 6.562 ( -7.352 -0.331 0.000) 7.359 7.209 ( 1.166 -0.747 0.000) 1.385 7.215 ( 4.993 3.572 0.000) 6.139 7.278 ( 1.154 0.893 0.000) 1.459 7.493 ( -1.293 2.058 0.000) 2.430 7.534 ( -1.084 0.162 0.000) 1.096 7.822 ( 3.457 -5.229 0.000) 6.269 7.967 ( -21.902 0.373 0.000) 21.906 8.196 ( 1.887 -0.437 0.000) 1.937 8.323 ( -0.275 0.596 0.000) 0.657 8.593 ( -7.203 -5.471 0.000) 9.045 8.987 ( -11.295 1.040 0.000) 11.342 9.073 ( 1.951 0.493 0.000) 2.013 9.089 ( 3.733 0.250 0.000) 3.742 9.181 ( 1.087 1.568 0.000) 1.908 9.194 ( -3.877 1.321 0.000) 4.096 10.345 ( -1.956 0.267 0.000) 1.974 ======================= Grid point 24 (17/171) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.542 0.573 0.000) 0.789 0.950 ( 2.633 -0.273 0.000) 2.647 1.148 ( -8.674 -2.157 0.000) 8.938 1.231 ( 0.533 -1.559 0.000) 1.647 1.442 ( -2.583 -5.610 0.000) 6.176 1.500 ( -6.767 0.618 0.000) 6.795 1.614 ( -8.580 0.248 0.000) 8.583 2.012 ( -3.919 1.508 0.000) 4.199 2.409 ( 6.186 0.157 0.000) 6.188 2.512 ( -6.096 -0.549 0.000) 6.121 2.758 ( 3.060 1.360 0.000) 3.349 3.060 ( -7.983 0.273 0.000) 7.987 3.068 ( -12.441 0.371 0.000) 12.447 3.108 ( -1.550 0.009 0.000) 1.550 3.221 ( -19.208 -0.721 0.000) 19.222 3.319 ( 2.668 -0.238 0.000) 2.678 3.491 ( -18.807 0.355 0.000) 18.811 3.976 ( 0.577 -0.210 0.000) 0.614 6.432 ( -5.786 -0.273 0.000) 5.793 6.624 ( 4.320 -3.625 0.000) 5.639 7.147 ( -16.511 -1.385 0.000) 16.569 7.255 ( -3.489 1.100 0.000) 3.658 7.316 ( 5.411 0.911 0.000) 5.487 7.453 ( -1.482 -0.741 0.000) 1.657 7.521 ( -0.184 0.634 0.000) 0.660 7.530 ( -13.429 0.340 0.000) 13.433 7.943 ( 6.011 -4.203 0.000) 7.334 8.167 ( -6.702 -1.755 0.000) 6.928 8.319 ( -0.216 0.445 0.000) 0.495 8.476 ( -6.349 -5.341 0.000) 8.297 8.719 ( -15.030 -0.190 0.000) 15.031 9.087 ( 0.772 0.816 0.000) 1.123 9.102 ( -2.816 3.258 0.000) 4.306 9.190 ( 5.424 -0.040 0.000) 5.424 9.250 ( 5.354 0.822 0.000) 5.417 10.319 ( -0.415 0.099 0.000) 0.426 ======================= Grid point 25 (18/171) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -0.802 1.733 0.000) 1.910 0.946 ( -13.065 -3.102 0.000) 13.428 1.009 ( 2.782 -2.137 0.000) 3.508 1.249 ( -0.143 -1.963 0.000) 1.968 1.357 ( -6.889 0.729 0.000) 6.927 1.391 ( -4.873 -0.359 0.000) 4.886 1.412 ( -11.546 0.415 0.000) 11.554 1.923 ( -4.010 -0.817 0.000) 4.092 2.332 ( -14.507 1.388 0.000) 14.573 2.460 ( -1.082 0.858 0.000) 1.381 2.761 ( -3.452 0.809 0.000) 3.545 2.769 ( -23.924 -0.376 0.000) 23.927 2.794 ( -11.522 0.535 0.000) 11.534 2.910 ( -6.962 0.483 0.000) 6.979 3.088 ( -11.648 0.227 0.000) 11.650 3.116 ( -7.316 0.796 0.000) 7.359 3.425 ( 5.535 -0.331 0.000) 5.545 4.004 ( 2.140 0.159 0.000) 2.146 6.343 ( -4.943 -0.295 0.000) 4.952 6.472 ( -42.941 -0.329 0.000) 42.943 6.733 ( 5.356 -2.040 0.000) 5.731 7.192 ( -3.078 0.774 0.000) 3.174 7.316 ( -7.574 -9.179 0.000) 11.901 7.493 ( 2.300 -0.715 0.000) 2.409 7.516 ( 6.201 -0.680 0.000) 6.239 7.526 ( 1.271 0.677 0.000) 1.440 7.984 ( -12.574 -8.079 0.000) 14.946 8.080 ( 5.143 -3.146 0.000) 6.029 8.251 ( -6.732 -2.185 0.000) 7.078 8.410 ( -8.448 1.276 0.000) 8.544 8.465 ( -3.906 -0.259 0.000) 3.914 9.060 ( 1.145 6.725 0.000) 6.821 9.099 ( 0.875 0.786 0.000) 1.176 9.291 ( 4.729 -0.113 0.000) 4.730 9.373 ( 7.038 -0.140 0.000) 7.039 10.332 ( 1.692 -0.111 0.000) 1.696 ======================= Grid point 26 (19/171) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -15.272 -1.497 0.000) 15.345 0.697 ( -6.407 3.710 0.000) 7.404 1.074 ( 0.756 -4.336 0.000) 4.401 1.167 ( -7.700 -0.083 0.000) 7.701 1.198 ( -7.223 0.873 0.000) 7.276 1.224 ( -10.071 5.803 0.000) 11.623 1.316 ( 0.554 -1.167 0.000) 1.292 1.847 ( -17.447 -0.566 0.000) 17.457 1.924 ( -10.202 2.966 0.000) 10.624 2.265 ( -21.370 -1.443 0.000) 21.418 2.421 ( -7.084 3.085 0.000) 7.727 2.605 ( -8.763 -1.428 0.000) 8.879 2.687 ( -4.955 0.489 0.000) 4.979 2.760 ( -12.473 -0.354 0.000) 12.478 2.798 ( -4.224 0.464 0.000) 4.249 3.129 ( 1.900 1.503 0.000) 2.422 3.525 ( 4.399 -0.363 0.000) 4.414 4.053 ( 2.843 0.566 0.000) 2.898 5.527 ( -48.683 -0.529 0.000) 48.686 6.318 ( -0.563 0.441 0.000) 0.715 6.846 ( 4.997 -0.827 0.000) 5.065 7.123 ( -3.499 0.241 0.000) 3.507 7.131 ( -22.835 -31.787 0.000) 39.139 7.526 ( 1.154 0.017 0.000) 1.155 7.578 ( 3.197 -0.467 0.000) 3.231 7.612 ( 2.110 -0.333 0.000) 2.137 7.843 ( -4.940 -10.268 0.000) 11.394 8.070 ( -7.775 -3.258 0.000) 8.431 8.138 ( -7.788 -2.114 0.000) 8.070 8.283 ( 2.301 3.102 0.000) 3.863 8.465 ( 1.352 3.669 0.000) 3.910 9.075 ( 5.118 11.245 0.000) 12.355 9.113 ( 0.900 0.654 0.000) 1.112 9.372 ( 3.396 -0.163 0.000) 3.400 9.512 ( 6.617 -0.520 0.000) 6.638 10.379 ( 2.773 -0.248 0.000) 2.784 ======================= Grid point 27 (20/171) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -14.146 4.696 0.000) 14.905 0.450 ( -15.309 6.463 0.000) 16.618 0.852 ( -24.095 15.274 0.000) 28.528 1.022 ( -3.385 -1.201 0.000) 3.592 1.029 ( -5.745 -0.111 0.000) 5.746 1.230 ( 5.625 -2.973 0.000) 6.362 1.331 ( -3.826 -0.828 0.000) 3.914 1.394 ( -11.906 -0.685 0.000) 11.926 1.872 ( -17.359 -0.664 0.000) 17.371 1.951 ( 7.303 4.857 0.000) 8.771 2.292 ( -4.587 3.251 0.000) 5.622 2.392 ( -10.082 -0.043 0.000) 10.082 2.592 ( -4.048 0.359 0.000) 4.064 2.660 ( -1.299 -1.565 0.000) 2.034 2.737 ( -1.920 0.327 0.000) 1.948 3.158 ( 1.570 1.405 0.000) 2.106 3.596 ( 2.556 -0.354 0.000) 2.580 4.100 ( 2.082 0.672 0.000) 2.188 4.675 ( -34.966 -0.286 0.000) 34.967 6.315 ( 0.320 0.772 0.000) 0.836 6.640 ( -64.953 -79.016 0.000) 102.286 6.927 ( 2.439 -0.284 0.000) 2.456 7.062 ( -2.503 -0.298 0.000) 2.521 7.547 ( 0.934 -0.057 0.000) 0.936 7.615 ( -0.820 -0.516 0.000) 0.969 7.632 ( 1.913 -0.553 0.000) 1.992 7.868 ( 1.148 -6.227 0.000) 6.332 7.945 ( -4.984 -1.457 0.000) 5.192 8.005 ( -6.057 -2.800 0.000) 6.673 8.333 ( 2.663 2.667 0.000) 3.769 8.474 ( 2.111 4.867 0.000) 5.305 9.125 ( 0.626 0.471 0.000) 0.784 9.163 ( 12.644 17.135 0.000) 21.295 9.424 ( 1.764 -0.176 0.000) 1.773 9.622 ( 4.051 -0.399 0.000) 4.071 10.431 ( 2.059 -0.275 0.000) 2.077 ======================= Grid point 28 (21/171) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.150 ( 0.000 14.393 0.000) 14.393 0.192 ( 0.000 18.496 0.000) 18.496 0.293 ( 0.000 28.415 0.000) 28.415 0.969 ( -0.000 -0.195 0.000) 0.195 0.994 ( -0.000 -0.274 0.000) 0.274 1.209 ( -0.000 -0.281 0.000) 0.281 1.336 ( -0.000 -3.649 0.000) 3.649 1.376 ( -0.000 -1.390 0.000) 1.390 1.668 ( 0.000 0.426 0.000) 0.426 2.228 ( 0.000 2.547 0.000) 2.547 2.247 ( 0.000 0.049 0.000) 0.049 2.545 ( -0.000 -0.082 0.000) 0.082 2.581 ( -0.000 -5.787 0.000) 5.787 2.678 ( 0.000 1.333 0.000) 1.333 2.717 ( 0.000 0.213 0.000) 0.213 3.193 ( 0.000 0.762 0.000) 0.762 3.624 ( -0.000 -0.285 0.000) 0.285 4.147 ( 0.000 0.319 0.000) 0.319 4.158 ( 0.000 1.102 0.000) 1.102 4.307 ( -0.000 -0.103 0.000) 0.103 6.315 ( 0.000 0.690 0.000) 0.690 6.950 ( 0.000 0.378 0.000) 0.378 7.038 ( -0.000 -0.390 0.000) 0.390 7.558 ( -0.000 -0.083 0.000) 0.083 7.607 ( -0.000 -0.381 0.000) 0.381 7.654 ( -0.000 -0.404 0.000) 0.404 7.903 ( -0.000 -0.760 0.000) 0.760 7.923 ( 0.000 0.157 0.000) 0.157 7.937 ( -0.000 -6.108 0.000) 6.108 8.351 ( 0.000 1.706 0.000) 1.706 8.496 ( 0.000 0.917 0.000) 0.917 9.130 ( 0.000 0.304 0.000) 0.304 9.433 ( -0.000 -0.115 0.000) 0.115 9.442 ( -0.000 -0.133 0.000) 0.133 9.665 ( -0.000 -0.133 0.000) 0.133 10.454 ( -0.000 -0.209 0.000) 0.209 ======================= Grid point 31 (22/171) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.349 0.000 0.000) 0.349 0.955 ( -4.244 -0.000 0.000) 4.244 1.187 ( 6.540 0.000 0.000) 6.540 1.261 ( -1.348 -0.000 0.000) 1.348 1.481 ( 6.802 0.000 0.000) 6.802 1.550 ( 6.997 0.000 0.000) 6.997 1.609 ( 8.718 0.000 0.000) 8.718 1.979 ( 1.578 0.000 0.000) 1.578 2.408 ( -5.451 -0.000 0.000) 5.451 2.522 ( 6.872 0.000 0.000) 6.872 2.730 ( -2.744 -0.000 0.000) 2.744 3.055 ( 8.128 0.000 0.000) 8.128 3.063 ( 13.824 0.000 0.000) 13.824 3.106 ( 1.261 0.000 0.000) 1.261 3.233 ( 19.318 0.000 0.000) 19.318 3.323 ( -2.731 -0.000 0.000) 2.731 3.488 ( 19.099 0.000 0.000) 19.099 3.980 ( -0.407 -0.000 0.000) 0.407 6.437 ( 5.860 0.000 0.000) 5.860 6.684 ( -3.067 -0.000 0.000) 3.067 7.183 ( 19.405 0.000 0.000) 19.405 7.223 ( 1.489 0.000 0.000) 1.489 7.310 ( -8.972 -0.000 0.000) 8.972 7.459 ( -1.127 -0.000 0.000) 1.127 7.510 ( 0.553 0.000 0.000) 0.553 7.524 ( 11.997 0.000 0.000) 11.997 8.020 ( -4.739 -0.000 0.000) 4.739 8.203 ( 1.309 0.000 0.000) 1.309 8.317 ( 0.627 0.000 0.000) 0.627 8.576 ( 8.858 0.000 0.000) 8.858 8.744 ( 13.283 0.000 0.000) 13.283 9.015 ( 6.119 0.000 0.000) 6.119 9.072 ( -0.684 -0.000 0.000) 0.684 9.190 ( -5.521 -0.000 0.000) 5.521 9.232 ( -6.594 -0.000 0.000) 6.594 10.317 ( 0.218 0.000 0.000) 0.218 ======================= Grid point 32 (23/171) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.134 0.058 0.000) 0.146 0.875 ( -3.863 -0.279 0.000) 3.873 1.237 ( -1.015 0.215 0.000) 1.038 1.270 ( 2.231 0.159 0.000) 2.237 1.599 ( 5.190 0.303 0.000) 5.199 1.656 ( 4.358 1.721 0.000) 4.686 1.745 ( 5.229 -0.039 0.000) 5.230 1.964 ( -4.061 -1.290 0.000) 4.261 2.255 ( -9.339 0.128 0.000) 9.340 2.629 ( 4.469 0.531 0.000) 4.500 2.681 ( -1.266 -0.555 0.000) 1.382 3.125 ( 0.390 0.111 0.000) 0.406 3.203 ( 0.693 0.256 0.000) 0.739 3.205 ( 1.209 -0.235 0.000) 1.232 3.285 ( 8.664 -0.000 0.000) 8.664 3.633 ( 16.635 0.134 0.000) 16.636 3.814 ( 13.598 0.187 0.000) 13.599 3.983 ( 0.551 -0.047 0.000) 0.553 6.570 ( 7.373 0.077 0.000) 7.374 6.631 ( -2.658 0.989 0.000) 2.836 7.152 ( -6.471 -0.489 0.000) 6.489 7.233 ( -0.610 0.472 0.000) 0.771 7.251 ( -2.343 -0.518 0.000) 2.400 7.445 ( -0.437 -0.501 0.000) 0.665 7.531 ( 1.556 -0.019 0.000) 1.557 7.939 ( -3.263 1.258 0.000) 3.497 7.958 ( 22.292 -0.090 0.000) 22.292 8.192 ( -1.969 -0.280 0.000) 1.989 8.328 ( 0.482 0.256 0.000) 0.546 8.718 ( 5.213 1.279 0.000) 5.368 8.973 ( 9.773 0.044 0.000) 9.773 9.062 ( -0.432 -0.113 0.000) 0.447 9.083 ( -5.103 -0.053 0.000) 5.103 9.139 ( -2.065 -0.479 0.000) 2.120 9.148 ( 6.371 -0.755 0.000) 6.415 10.339 ( 1.854 -0.059 0.000) 1.855 ======================= Grid point 33 (24/171) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.542 0.807 0.000) 0.972 0.813 ( -2.476 -1.217 0.000) 2.759 1.220 ( -0.578 0.345 0.000) 0.673 1.279 ( -0.940 0.232 0.000) 0.969 1.654 ( 0.615 4.954 0.000) 4.992 1.728 ( 4.224 -0.578 0.000) 4.263 1.817 ( 2.193 -0.047 0.000) 2.194 1.855 ( -6.680 -3.639 0.000) 7.607 2.079 ( -7.508 0.293 0.000) 7.514 2.683 ( 2.010 0.582 0.000) 2.093 2.706 ( 2.171 -0.546 0.000) 2.239 3.117 ( -0.852 0.271 0.000) 0.894 3.127 ( -2.833 0.053 0.000) 2.834 3.308 ( 3.711 -0.024 0.000) 3.711 3.406 ( 3.837 0.036 0.000) 3.837 3.883 ( 8.667 0.156 0.000) 8.669 3.978 ( 2.077 1.911 0.000) 2.822 4.023 ( 4.639 -1.621 0.000) 4.914 6.552 ( -4.689 1.589 0.000) 4.951 6.704 ( 5.649 0.127 0.000) 5.650 7.088 ( -0.342 -1.077 0.000) 1.130 7.194 ( -1.973 0.501 0.000) 2.036 7.218 ( -1.467 -0.663 0.000) 1.610 7.448 ( 0.365 -1.109 0.000) 1.168 7.562 ( 1.359 0.040 0.000) 1.360 7.874 ( -2.696 2.108 0.000) 3.422 8.148 ( -2.314 -0.682 0.000) 2.413 8.290 ( 11.310 -0.054 0.000) 11.310 8.332 ( 0.251 0.672 0.000) 0.718 8.750 ( -0.772 1.054 0.000) 1.307 9.000 ( -3.155 -0.013 0.000) 3.155 9.059 ( -0.017 -0.200 0.000) 0.201 9.112 ( 4.195 -0.531 0.000) 4.229 9.167 ( 4.055 -0.391 0.000) 4.074 9.259 ( 4.176 -0.470 0.000) 4.202 10.379 ( 1.868 -0.104 0.000) 1.871 ======================= Grid point 34 (25/171) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -1.146 0.230 0.000) 1.169 0.821 ( 2.191 -0.234 0.000) 2.203 1.206 ( -0.548 1.056 0.000) 1.190 1.252 ( -1.278 -0.786 0.000) 1.501 1.584 ( -4.356 2.825 0.000) 5.192 1.770 ( -3.140 -3.328 0.000) 4.575 1.838 ( 0.141 0.009 0.000) 0.142 1.842 ( 6.152 0.360 0.000) 6.162 1.992 ( -0.798 0.019 0.000) 0.798 2.705 ( -0.250 -0.059 0.000) 0.257 2.729 ( -0.136 -0.078 0.000) 0.157 3.097 ( -0.114 0.000 0.000) 0.114 3.101 ( -0.271 0.273 0.000) 0.384 3.345 ( 0.040 -0.001 0.000) 0.040 3.442 ( -0.068 0.003 0.000) 0.068 3.964 ( -0.371 -0.015 0.000) 0.371 3.981 ( -0.285 1.261 0.000) 1.293 4.077 ( -0.420 -1.232 0.000) 1.302 6.457 ( -3.775 -0.085 0.000) 3.776 6.760 ( -0.368 -0.015 0.000) 0.368 7.128 ( 3.342 0.276 0.000) 3.353 7.168 ( -0.566 -0.021 0.000) 0.566 7.211 ( 1.062 0.043 0.000) 1.063 7.471 ( 1.479 -1.043 0.000) 1.810 7.575 ( -0.132 -0.000 0.000) 0.132 7.808 ( -3.127 1.396 0.000) 3.425 8.120 ( -0.816 -1.162 0.000) 1.420 8.333 ( 0.393 1.102 0.000) 1.170 8.401 ( 0.065 -0.004 0.000) 0.065 8.710 ( -2.754 -0.585 0.000) 2.816 8.968 ( 0.054 -0.013 0.000) 0.056 9.064 ( 0.451 0.014 0.000) 0.452 9.162 ( 0.812 -0.335 0.000) 0.879 9.232 ( 1.588 0.545 0.000) 1.680 9.307 ( 0.501 -0.123 0.000) 0.515 10.402 ( 0.261 -0.001 0.000) 0.261 ======================= Grid point 35 (26/171) ======================= q-point: (-0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.103 -0.319 0.000) 0.335 0.871 ( 2.752 1.019 0.000) 2.935 1.198 ( 0.138 -0.067 0.000) 0.154 1.247 ( 0.003 -1.292 0.000) 1.292 1.483 ( -5.662 -1.887 0.000) 5.968 1.714 ( -3.791 -0.772 0.000) 3.869 1.821 ( -2.086 0.098 0.000) 2.088 1.982 ( 7.640 1.330 0.000) 7.755 2.055 ( 6.974 -0.519 0.000) 6.993 2.671 ( -2.625 0.225 0.000) 2.634 2.706 ( -2.096 -0.704 0.000) 2.211 3.107 ( 0.613 0.009 0.000) 0.613 3.123 ( 2.623 -0.096 0.000) 2.625 3.310 ( -3.600 0.036 0.000) 3.600 3.404 ( -3.883 -0.036 0.000) 3.883 3.870 ( -9.248 -0.305 0.000) 9.254 3.951 ( -2.798 1.088 0.000) 3.002 4.029 ( -4.482 -1.535 0.000) 4.737 6.425 ( -0.082 -2.819 0.000) 2.820 6.694 ( -5.897 -0.227 0.000) 5.901 7.173 ( 1.009 -0.343 0.000) 1.066 7.193 ( 3.922 3.001 0.000) 4.939 7.252 ( 2.639 0.642 0.000) 2.716 7.513 ( 2.089 0.144 0.000) 2.094 7.559 ( -1.303 -0.061 0.000) 1.305 7.747 ( -2.455 -1.553 0.000) 2.905 8.135 ( 1.708 -1.430 0.000) 2.227 8.294 ( -10.979 0.082 0.000) 10.980 8.336 ( 0.421 1.189 0.000) 1.262 8.647 ( -4.792 -2.642 0.000) 5.472 9.001 ( 3.157 0.038 0.000) 3.157 9.074 ( 0.699 0.347 0.000) 0.781 9.148 ( -2.713 0.571 0.000) 2.772 9.211 ( -2.424 1.225 0.000) 2.716 9.281 ( -2.908 0.259 0.000) 2.920 10.388 ( -1.599 0.186 0.000) 1.610 ======================= Grid point 36 (27/171) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.979 -0.173 0.000) 0.994 0.913 ( 2.099 1.005 0.000) 2.327 1.204 ( -0.013 -1.226 0.000) 1.226 1.243 ( -2.243 -0.592 0.000) 2.320 1.393 ( -4.691 -6.374 0.000) 7.914 1.626 ( -5.287 0.241 0.000) 5.292 1.750 ( -5.134 0.133 0.000) 5.136 2.076 ( 1.703 2.152 0.000) 2.745 2.237 ( 10.111 -0.487 0.000) 10.123 2.606 ( -4.306 0.019 0.000) 4.306 2.699 ( 2.315 -0.420 0.000) 2.353 3.113 ( -0.260 -0.221 0.000) 0.341 3.194 ( 3.150 -0.106 0.000) 3.152 3.210 ( -5.062 0.012 0.000) 5.062 3.286 ( -8.276 0.022 0.000) 8.276 3.614 ( -16.843 -0.556 0.000) 16.852 3.803 ( -12.111 0.147 0.000) 12.112 3.977 ( -1.211 -0.525 0.000) 1.320 6.478 ( 3.267 -4.455 0.000) 5.524 6.559 ( -7.342 -0.291 0.000) 7.347 7.202 ( 1.129 -0.614 0.000) 1.285 7.255 ( 4.622 4.076 0.000) 6.163 7.286 ( 0.882 0.720 0.000) 1.139 7.512 ( -2.150 1.601 0.000) 2.681 7.536 ( -0.837 0.178 0.000) 0.855 7.768 ( 3.250 -5.063 0.000) 6.016 7.970 ( -21.743 0.324 0.000) 21.745 8.191 ( 2.736 -0.333 0.000) 2.756 8.332 ( -0.433 0.933 0.000) 1.029 8.539 ( -8.226 -5.038 0.000) 9.647 8.998 ( -11.711 1.068 0.000) 11.760 9.078 ( 3.016 0.433 0.000) 3.047 9.091 ( 2.735 0.236 0.000) 2.745 9.195 ( 0.959 1.161 0.000) 1.506 9.205 ( -3.468 0.839 0.000) 3.568 10.348 ( -2.001 0.241 0.000) 2.015 ======================= Grid point 37 (28/171) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 1.058 0.581 0.000) 1.207 0.947 ( 1.692 -0.308 0.000) 1.720 1.126 ( -9.395 -2.116 0.000) 9.630 1.215 ( 0.241 -1.439 0.000) 1.459 1.382 ( -0.791 -5.829 0.000) 5.882 1.506 ( -6.731 0.523 0.000) 6.751 1.617 ( -8.517 0.227 0.000) 8.520 2.027 ( -4.865 1.310 0.000) 5.039 2.412 ( 6.694 0.232 0.000) 6.698 2.506 ( -6.059 -0.644 0.000) 6.093 2.772 ( 3.495 1.241 0.000) 3.709 3.063 ( -7.884 0.301 0.000) 7.890 3.073 ( -11.860 0.485 0.000) 11.870 3.107 ( -1.461 -0.101 0.000) 1.465 3.213 ( -19.240 -0.779 0.000) 19.256 3.317 ( 2.649 -0.250 0.000) 2.661 3.496 ( -18.579 0.530 0.000) 18.586 3.974 ( 0.713 -0.208 0.000) 0.742 6.429 ( -5.731 -0.262 0.000) 5.737 6.584 ( 5.063 -3.933 0.000) 6.411 7.134 ( -16.531 -1.159 0.000) 16.572 7.265 ( -3.025 0.827 0.000) 3.136 7.330 ( 2.914 1.692 0.000) 3.370 7.443 ( -3.032 -1.171 0.000) 3.250 7.527 ( -0.573 0.656 0.000) 0.870 7.534 ( -13.596 0.351 0.000) 13.601 7.896 ( 6.443 -4.807 0.000) 8.038 8.155 ( -8.776 -0.396 0.000) 8.785 8.323 ( -1.175 0.346 0.000) 1.225 8.421 ( -3.881 -5.285 0.000) 6.557 8.719 ( -15.324 0.217 0.000) 15.326 9.095 ( 0.825 0.862 0.000) 1.193 9.131 ( -1.780 2.333 0.000) 2.935 9.189 ( 5.367 -0.086 0.000) 5.368 9.257 ( 4.829 0.680 0.000) 4.877 10.320 ( -0.526 0.101 0.000) 0.535 ======================= Grid point 38 (29/171) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.110 1.898 0.000) 1.901 0.922 ( -11.943 -1.393 0.000) 12.024 0.986 ( 1.549 -2.399 0.000) 2.855 1.229 ( 0.032 -1.770 0.000) 1.771 1.361 ( -7.012 -0.040 0.000) 7.012 1.382 ( -2.448 -1.382 0.000) 2.811 1.417 ( -11.467 0.367 0.000) 11.472 1.914 ( -5.480 -0.916 0.000) 5.556 2.344 ( -12.465 0.921 0.000) 12.499 2.472 ( -0.694 1.328 0.000) 1.498 2.764 ( -23.593 -0.673 0.000) 23.602 2.770 ( -5.321 0.995 0.000) 5.414 2.802 ( -10.799 0.876 0.000) 10.834 2.915 ( -6.887 0.491 0.000) 6.905 3.093 ( -13.892 0.660 0.000) 13.907 3.124 ( -4.702 0.728 0.000) 4.758 3.421 ( 5.484 -0.372 0.000) 5.496 4.006 ( 2.414 0.194 0.000) 2.422 6.341 ( -5.355 -0.090 0.000) 5.356 6.468 ( -42.262 -0.611 0.000) 42.266 6.710 ( 5.980 -2.463 0.000) 6.468 7.200 ( -3.276 0.859 0.000) 3.387 7.217 ( -15.866 -9.908 0.000) 18.705 7.486 ( 2.351 -0.718 0.000) 2.459 7.503 ( 5.682 -1.603 0.000) 5.904 7.533 ( 0.913 0.678 0.000) 1.138 7.911 ( -14.003 -5.999 0.000) 15.234 8.048 ( 5.181 -2.965 0.000) 5.970 8.228 ( -7.334 -2.433 0.000) 7.727 8.424 ( -7.279 1.380 0.000) 7.408 8.464 ( -1.976 -0.054 0.000) 1.976 9.107 ( 0.887 0.921 0.000) 1.279 9.122 ( 2.729 5.178 0.000) 5.853 9.289 ( 4.676 -0.171 0.000) 4.679 9.371 ( 6.648 -0.150 0.000) 6.650 10.331 ( 1.582 -0.119 0.000) 1.587 ======================= Grid point 39 (30/171) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -11.192 3.364 0.000) 11.687 0.740 ( -4.682 4.465 0.000) 6.470 1.026 ( -0.013 -4.762 0.000) 4.762 1.167 ( -7.313 -0.004 0.000) 7.313 1.203 ( -7.851 0.152 0.000) 7.852 1.271 ( -4.743 2.392 0.000) 5.312 1.307 ( -2.116 0.215 0.000) 2.127 1.831 ( -9.842 -2.491 0.000) 10.152 1.966 ( -16.694 5.048 0.000) 17.441 2.254 ( -21.376 -0.638 0.000) 21.385 2.452 ( -6.216 2.824 0.000) 6.827 2.590 ( -8.701 -1.364 0.000) 8.807 2.692 ( -5.309 0.477 0.000) 5.330 2.756 ( -13.068 -0.348 0.000) 13.073 2.803 ( -4.252 0.536 0.000) 4.285 3.147 ( 2.105 1.807 0.000) 2.774 3.521 ( 4.353 -0.456 0.000) 4.377 4.060 ( 3.100 0.755 0.000) 3.191 5.521 ( -48.630 -0.606 0.000) 48.634 6.323 ( -0.281 0.461 0.000) 0.540 6.799 ( -38.237 -31.387 0.000) 49.469 6.836 ( 5.559 -1.087 0.000) 5.664 7.126 ( -3.819 0.339 0.000) 3.834 7.526 ( 1.264 0.050 0.000) 1.265 7.572 ( 2.853 -0.624 0.000) 2.920 7.602 ( 2.219 -1.664 0.000) 2.774 7.754 ( -4.066 -7.175 0.000) 8.247 8.043 ( -6.858 -2.179 0.000) 7.196 8.114 ( -6.998 -2.683 0.000) 7.495 8.314 ( 1.950 2.776 0.000) 3.393 8.490 ( 1.447 1.545 0.000) 2.116 9.120 ( 0.883 0.869 0.000) 1.239 9.177 ( 6.330 8.345 0.000) 10.474 9.370 ( 3.347 -0.248 0.000) 3.356 9.506 ( 6.538 -0.600 0.000) 6.565 10.376 ( 2.698 -0.305 0.000) 2.715 ======================= Grid point 40 (31/171) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -5.692 12.893 0.000) 14.094 0.527 ( -12.610 8.074 0.000) 14.974 1.005 ( -2.319 -2.162 0.000) 3.171 1.013 ( -17.303 14.693 0.000) 22.700 1.028 ( -6.170 0.619 0.000) 6.201 1.192 ( 3.665 -4.211 0.000) 5.582 1.319 ( -1.453 -1.684 0.000) 2.224 1.389 ( -16.635 0.138 0.000) 16.636 1.866 ( -16.746 -0.431 0.000) 16.752 1.995 ( 12.301 3.107 0.000) 12.687 2.332 ( -4.181 4.270 0.000) 5.976 2.391 ( -9.353 -0.183 0.000) 9.355 2.595 ( -4.207 0.318 0.000) 4.219 2.641 ( -1.363 -1.909 0.000) 2.345 2.741 ( -1.958 0.431 0.000) 2.005 3.175 ( 1.679 1.902 0.000) 2.537 3.591 ( 2.509 -0.513 0.000) 2.561 4.109 ( 2.202 1.075 0.000) 2.451 4.672 ( -34.843 -0.401 0.000) 34.845 5.932 ( -81.462 -57.099 0.000) 99.481 6.325 ( 0.582 1.091 0.000) 1.237 6.928 ( 3.218 0.127 0.000) 3.221 7.058 ( -2.809 -0.410 0.000) 2.839 7.547 ( 0.873 -0.027 0.000) 0.873 7.608 ( -0.853 -0.834 0.000) 1.193 7.625 ( 1.853 -0.872 0.000) 2.048 7.789 ( 1.263 -8.679 0.000) 8.771 7.930 ( -4.459 -1.353 0.000) 4.660 7.986 ( -5.815 -1.363 0.000) 5.972 8.361 ( 2.331 2.589 0.000) 3.484 8.503 ( 0.894 1.508 0.000) 1.753 9.131 ( 0.603 0.732 0.000) 0.949 9.291 ( 10.038 8.437 0.000) 13.113 9.421 ( 1.734 -0.291 0.000) 1.759 9.617 ( 4.182 -0.487 0.000) 4.210 10.427 ( 2.026 -0.394 0.000) 2.064 ======================= Grid point 41 (32/171) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 0.000 13.259 0.000) 13.259 0.377 ( 0.000 17.412 0.000) 17.412 0.581 ( 0.000 27.684 0.000) 27.684 0.967 ( -0.000 -0.323 0.000) 0.323 0.989 ( -0.000 -0.668 0.000) 0.668 1.204 ( -0.000 -0.703 0.000) 0.703 1.284 ( -0.000 -6.302 0.000) 6.302 1.356 ( -0.000 -2.456 0.000) 2.456 1.674 ( 0.000 0.763 0.000) 0.763 2.248 ( 0.000 0.088 0.000) 0.088 2.265 ( 0.000 4.317 0.000) 4.317 2.508 ( -0.000 -8.206 0.000) 8.206 2.544 ( -0.000 -0.150 0.000) 0.150 2.683 ( -0.000 -0.350 0.000) 0.350 2.720 ( 0.000 0.354 0.000) 0.354 3.204 ( 0.000 1.261 0.000) 1.261 3.620 ( -0.000 -0.512 0.000) 0.512 4.152 ( 0.000 0.617 0.000) 0.617 4.175 ( 0.000 1.993 0.000) 1.993 4.305 ( -0.000 -0.183 0.000) 0.183 6.326 ( 0.000 1.247 0.000) 1.247 6.956 ( 0.000 0.702 0.000) 0.702 7.032 ( -0.000 -0.706 0.000) 0.706 7.556 ( -0.000 -0.118 0.000) 0.118 7.602 ( -0.000 -0.704 0.000) 0.704 7.648 ( -0.000 -0.773 0.000) 0.773 7.855 ( -0.000 -9.443 0.000) 9.443 7.894 ( -0.000 -1.024 0.000) 1.024 7.924 ( -0.000 -0.083 0.000) 0.083 8.370 ( 0.000 1.976 0.000) 1.976 8.507 ( 0.000 1.198 0.000) 1.198 9.134 ( 0.000 0.585 0.000) 0.585 9.431 ( -0.000 -0.196 0.000) 0.196 9.440 ( -0.000 -0.265 0.000) 0.265 9.663 ( -0.000 -0.253 0.000) 0.253 10.450 ( -0.000 -0.376 0.000) 0.376 ======================= Grid point 46 (33/171) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 1.172 0.000 0.000) 1.172 0.806 ( -3.043 -0.000 0.000) 3.043 1.222 ( -0.510 -0.000 0.000) 0.510 1.281 ( -1.029 -0.000 0.000) 1.029 1.687 ( 2.740 0.000 0.000) 2.740 1.721 ( 1.871 0.000 0.000) 1.871 1.817 ( 2.203 0.000 0.000) 2.203 1.833 ( -6.682 -0.000 0.000) 6.682 2.080 ( -7.540 -0.000 0.000) 7.540 2.687 ( 1.490 0.000 0.000) 1.490 2.703 ( 2.665 0.000 0.000) 2.665 3.119 ( -0.846 -0.000 0.000) 0.846 3.127 ( -2.847 -0.000 0.000) 2.847 3.308 ( 3.719 0.000 0.000) 3.719 3.406 ( 3.832 0.000 0.000) 3.832 3.884 ( 8.628 0.000 0.000) 8.628 3.993 ( 0.404 0.000 0.000) 0.404 4.010 ( 6.273 0.000 0.000) 6.273 6.560 ( -5.015 -0.000 0.000) 5.015 6.704 ( 5.629 0.000 0.000) 5.629 7.083 ( -0.152 -0.000 0.000) 0.152 7.198 ( -2.281 -0.000 0.000) 2.281 7.214 ( -1.141 -0.000 0.000) 1.141 7.442 ( 0.416 0.000 0.000) 0.416 7.563 ( 1.360 0.000 0.000) 1.360 7.885 ( -2.879 -0.000 0.000) 2.879 8.145 ( -2.378 -0.000 0.000) 2.378 8.290 ( 11.332 0.000 0.000) 11.332 8.336 ( 0.327 0.000 0.000) 0.327 8.755 ( -1.252 -0.000 0.000) 1.252 8.999 ( -3.165 -0.000 0.000) 3.165 9.058 ( 0.037 0.000 0.000) 0.037 9.110 ( 4.182 0.000 0.000) 4.182 9.165 ( 4.327 0.000 0.000) 4.327 9.256 ( 4.320 0.000 0.000) 4.320 10.379 ( 1.886 0.000 0.000) 1.886 ======================= Grid point 47 (34/171) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -1.558 0.109 0.000) 1.562 0.819 ( 2.860 -0.111 0.000) 2.863 1.216 ( -0.071 0.712 0.000) 0.716 1.244 ( -2.147 -0.595 0.000) 2.228 1.611 ( -6.856 1.822 0.000) 7.094 1.740 ( -0.960 -1.985 0.000) 2.205 1.838 ( 0.177 0.004 0.000) 0.177 1.844 ( 6.090 0.102 0.000) 6.091 1.992 ( -0.995 0.009 0.000) 0.995 2.705 ( -0.293 -0.026 0.000) 0.295 2.728 ( -0.181 -0.035 0.000) 0.184 3.097 ( -0.143 0.000 0.000) 0.143 3.104 ( -0.339 0.120 0.000) 0.360 3.345 ( 0.050 -0.000 0.000) 0.050 3.442 ( -0.086 0.001 0.000) 0.086 3.964 ( -0.463 -0.007 0.000) 0.463 3.992 ( -0.328 0.730 0.000) 0.800 4.066 ( -0.551 -0.717 0.000) 0.904 6.456 ( -4.702 -0.038 0.000) 4.702 6.760 ( -0.458 -0.006 0.000) 0.458 7.130 ( 4.215 0.126 0.000) 4.217 7.168 ( -0.696 -0.009 0.000) 0.696 7.212 ( 1.314 0.019 0.000) 1.314 7.463 ( 1.628 -0.447 0.000) 1.688 7.575 ( -0.164 -0.000 0.000) 0.164 7.819 ( -3.767 0.617 0.000) 3.818 8.111 ( -0.923 -0.510 0.000) 1.055 8.342 ( 0.430 0.472 0.000) 0.639 8.401 ( 0.081 -0.002 0.000) 0.081 8.705 ( -3.406 -0.264 0.000) 3.416 8.968 ( 0.069 -0.006 0.000) 0.069 9.064 ( 0.562 0.006 0.000) 0.562 9.159 ( 1.013 -0.143 0.000) 1.023 9.236 ( 1.943 0.243 0.000) 1.958 9.306 ( 0.630 -0.063 0.000) 0.633 10.402 ( 0.325 -0.000 0.000) 0.325 ======================= Grid point 48 (35/171) ======================= q-point: (-0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 0.047 -0.157 0.000) 0.164 0.879 ( 2.967 0.542 0.000) 3.016 1.200 ( -0.735 0.383 0.000) 0.829 1.234 ( 0.246 -1.138 0.000) 1.164 1.469 ( -7.400 -0.839 0.000) 7.448 1.707 ( -3.022 -0.520 0.000) 3.066 1.822 ( -2.075 0.056 0.000) 2.076 1.991 ( 8.059 0.593 0.000) 8.081 2.051 ( 6.871 -0.287 0.000) 6.877 2.675 ( -2.145 0.358 0.000) 2.174 2.698 ( -2.713 -0.658 0.000) 2.792 3.107 ( 0.499 0.052 0.000) 0.502 3.122 ( 2.585 -0.053 0.000) 2.586 3.310 ( -3.582 0.020 0.000) 3.583 3.403 ( -3.885 -0.018 0.000) 3.885 3.867 ( -9.349 -0.172 0.000) 9.351 3.966 ( -2.695 1.727 0.000) 3.201 4.010 ( -4.679 -1.967 0.000) 5.076 6.402 ( -0.906 -1.559 0.000) 1.803 6.692 ( -5.932 -0.126 0.000) 5.934 7.171 ( 0.909 -0.182 0.000) 0.927 7.219 ( 4.936 1.946 0.000) 5.305 7.257 ( 2.761 0.349 0.000) 2.783 7.510 ( 2.640 -0.576 0.000) 2.702 7.559 ( -1.285 -0.033 0.000) 1.285 7.738 ( -3.942 -0.367 0.000) 3.959 8.123 ( 1.876 -0.930 0.000) 2.094 8.295 ( -10.921 0.044 0.000) 10.921 8.347 ( 0.352 0.820 0.000) 0.893 8.625 ( -5.532 -1.549 0.000) 5.745 9.001 ( 3.178 0.022 0.000) 3.179 9.077 ( 0.802 0.192 0.000) 0.825 9.153 ( -2.189 0.250 0.000) 2.204 9.221 ( -2.580 0.732 0.000) 2.681 9.283 ( -2.771 0.098 0.000) 2.773 10.389 ( -1.550 0.103 0.000) 1.553 ======================= Grid point 49 (36/171) ======================= q-point: (-0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 1.201 -0.114 0.000) 1.206 0.922 ( 1.716 0.679 0.000) 1.845 1.191 ( -0.657 -1.248 0.000) 1.411 1.240 ( -1.263 0.075 0.000) 1.265 1.336 ( -6.257 -4.607 0.000) 7.770 1.628 ( -5.050 0.153 0.000) 5.053 1.752 ( -5.120 0.086 0.000) 5.121 2.094 ( 1.547 1.350 0.000) 2.054 2.233 ( 10.326 -0.330 0.000) 10.331 2.607 ( -4.826 0.149 0.000) 4.828 2.694 ( 3.146 -0.526 0.000) 3.189 3.111 ( -0.302 -0.117 0.000) 0.324 3.194 ( 3.968 -0.056 0.000) 3.968 3.210 ( -5.879 -0.011 0.000) 5.879 3.286 ( -8.201 0.019 0.000) 8.201 3.609 ( -16.900 -0.387 0.000) 16.904 3.806 ( -12.210 0.280 0.000) 12.213 3.971 ( -0.850 -0.505 0.000) 0.988 6.439 ( 3.191 -3.114 0.000) 4.459 6.557 ( -7.333 -0.198 0.000) 7.336 7.197 ( 1.083 -0.406 0.000) 1.157 7.292 ( 0.669 0.464 0.000) 0.815 7.296 ( 4.479 3.630 0.000) 5.766 7.525 ( -2.681 0.719 0.000) 2.776 7.537 ( -0.622 0.141 0.000) 0.638 7.721 ( 2.656 -3.852 0.000) 4.679 7.973 ( -21.620 0.218 0.000) 21.621 8.190 ( 4.064 -0.010 0.000) 4.064 8.341 ( -0.648 0.890 0.000) 1.101 8.493 ( -9.349 -3.737 0.000) 10.069 9.008 ( -12.012 0.785 0.000) 12.038 9.082 ( 4.134 0.291 0.000) 4.144 9.094 ( 1.670 0.172 0.000) 1.679 9.205 ( 0.979 0.695 0.000) 1.201 9.211 ( -3.345 0.411 0.000) 3.370 10.350 ( -2.037 0.167 0.000) 2.043 ======================= Grid point 50 (37/171) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 1.526 0.471 0.000) 1.597 0.944 ( 0.829 -0.274 0.000) 0.873 1.107 ( -9.288 -1.544 0.000) 9.416 1.202 ( -0.094 -0.995 0.000) 1.000 1.326 ( 0.403 -5.042 0.000) 5.058 1.510 ( -6.786 0.320 0.000) 6.794 1.619 ( -8.467 0.168 0.000) 8.468 2.038 ( -5.599 0.958 0.000) 5.680 2.414 ( 7.208 0.242 0.000) 7.212 2.499 ( -6.213 -0.641 0.000) 6.246 2.783 ( 4.000 0.959 0.000) 4.113 3.066 ( -7.777 0.268 0.000) 7.781 3.078 ( -11.586 0.504 0.000) 11.597 3.106 ( -1.121 -0.198 0.000) 1.139 3.206 ( -19.336 -0.673 0.000) 19.348 3.314 ( 2.640 -0.210 0.000) 2.648 3.502 ( -18.334 0.553 0.000) 18.342 3.972 ( 0.861 -0.165 0.000) 0.877 6.427 ( -5.674 -0.202 0.000) 5.677 6.546 ( 5.707 -3.354 0.000) 6.619 7.123 ( -16.614 -0.834 0.000) 16.635 7.272 ( -2.582 0.537 0.000) 2.637 7.350 ( -0.182 2.231 0.000) 2.238 7.430 ( -3.886 -1.375 0.000) 4.122 7.534 ( -2.925 0.528 0.000) 2.973 7.537 ( -11.714 0.301 0.000) 11.718 7.847 ( 6.584 -4.589 0.000) 8.025 8.161 ( -10.353 1.465 0.000) 10.456 8.321 ( -4.549 -1.171 0.000) 4.697 8.373 ( 1.271 -3.594 0.000) 3.812 8.722 ( -15.520 0.311 0.000) 15.523 9.104 ( 0.868 0.736 0.000) 1.138 9.150 ( -1.089 1.405 0.000) 1.777 9.188 ( 5.321 -0.113 0.000) 5.322 9.263 ( 4.456 0.457 0.000) 4.480 10.321 ( -0.625 0.082 0.000) 0.630 ======================= Grid point 51 (38/171) ======================= q-point: (-0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.980 1.689 0.000) 1.953 0.920 ( -9.363 1.029 0.000) 9.419 0.962 ( 0.348 -2.206 0.000) 2.233 1.213 ( 0.285 -1.377 0.000) 1.406 1.349 ( -2.866 -2.598 0.000) 3.869 1.371 ( -5.049 -0.478 0.000) 5.071 1.420 ( -11.465 0.265 0.000) 11.468 1.905 ( -7.001 -0.808 0.000) 7.048 2.350 ( -10.705 0.195 0.000) 10.707 2.487 ( 0.085 1.590 0.000) 1.592 2.756 ( -23.659 -0.906 0.000) 23.676 2.782 ( -6.247 1.271 0.000) 6.375 2.811 ( -10.625 0.792 0.000) 10.654 2.920 ( -6.793 0.409 0.000) 6.806 3.101 ( -16.030 0.921 0.000) 16.057 3.131 ( -2.237 0.574 0.000) 2.310 3.417 ( 5.434 -0.340 0.000) 5.445 4.008 ( 2.691 0.190 0.000) 2.698 6.341 ( -4.909 0.152 0.000) 4.912 6.460 ( -42.468 -0.789 0.000) 42.475 6.684 ( 6.686 -2.404 0.000) 7.105 7.120 ( -23.334 -8.667 0.000) 24.891 7.209 ( -3.439 0.776 0.000) 3.525 7.479 ( 2.348 -0.634 0.000) 2.432 7.486 ( 4.596 -1.746 0.000) 4.917 7.540 ( 0.600 0.596 0.000) 0.846 7.861 ( -13.110 -3.781 0.000) 13.644 8.022 ( 4.578 -2.138 0.000) 5.053 8.202 ( -7.677 -2.415 0.000) 8.048 8.437 ( -5.763 1.227 0.000) 5.893 8.464 ( -1.550 0.026 0.000) 1.550 9.117 ( 0.906 0.882 0.000) 1.265 9.166 ( 3.758 3.393 0.000) 5.063 9.287 ( 4.618 -0.203 0.000) 4.622 9.370 ( 6.302 -0.116 0.000) 6.303 10.330 ( 1.474 -0.104 0.000) 1.477 ======================= Grid point 52 (39/171) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -5.775 7.839 0.000) 9.736 0.786 ( -2.855 4.365 0.000) 5.216 0.978 ( -0.772 -4.650 0.000) 4.713 1.168 ( -6.963 0.276 0.000) 6.968 1.202 ( -8.836 -0.326 0.000) 8.842 1.267 ( -0.776 -1.918 0.000) 2.069 1.324 ( -4.014 1.756 0.000) 4.381 1.799 ( -7.092 -3.468 0.000) 7.894 2.020 ( -17.973 5.128 0.000) 18.690 2.252 ( -21.805 0.093 0.000) 21.806 2.478 ( -4.820 2.219 0.000) 5.306 2.579 ( -8.916 -0.748 0.000) 8.948 2.697 ( -5.818 0.420 0.000) 5.833 2.752 ( -13.636 -0.371 0.000) 13.641 2.808 ( -4.288 0.493 0.000) 4.316 3.165 ( 2.302 1.751 0.000) 2.892 3.516 ( 4.302 -0.459 0.000) 4.327 4.068 ( 3.423 0.810 0.000) 3.518 5.515 ( -48.611 -0.549 0.000) 48.614 6.327 ( 0.068 0.368 0.000) 0.374 6.508 ( -47.761 -24.905 0.000) 53.864 6.824 ( 6.245 -1.156 0.000) 6.351 7.130 ( -4.163 0.382 0.000) 4.181 7.527 ( 1.539 0.093 0.000) 1.542 7.565 ( 2.308 -0.681 0.000) 2.407 7.577 ( 2.627 -3.296 0.000) 4.215 7.696 ( -4.891 -4.053 0.000) 6.351 8.024 ( -6.308 -1.487 0.000) 6.481 8.085 ( -6.021 -2.865 0.000) 6.667 8.339 ( 1.666 2.131 0.000) 2.706 8.501 ( 1.250 0.710 0.000) 1.437 9.130 ( 0.872 0.937 0.000) 1.280 9.246 ( 6.331 5.262 0.000) 8.232 9.367 ( 3.289 -0.306 0.000) 3.303 9.500 ( 6.471 -0.534 0.000) 6.493 10.373 ( 2.614 -0.300 0.000) 2.632 ======================= Grid point 53 (40/171) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -10.528 7.852 0.000) 13.134 0.621 ( -0.869 15.556 0.000) 15.580 0.977 ( -0.877 -3.135 0.000) 3.255 1.026 ( -6.167 -0.050 0.000) 6.167 1.147 ( 1.202 -4.377 0.000) 4.539 1.154 ( -9.399 11.067 0.000) 14.520 1.298 ( 0.068 -2.288 0.000) 2.289 1.404 ( -21.600 3.240 0.000) 21.842 1.864 ( -16.177 0.000 0.000) 16.177 2.010 ( 13.350 -0.255 0.000) 13.353 2.377 ( -3.583 4.337 0.000) 5.626 2.388 ( -9.033 -0.439 0.000) 9.044 2.597 ( -4.669 -0.096 0.000) 4.670 2.623 ( -1.080 -1.630 0.000) 1.955 2.745 ( -2.007 0.425 0.000) 2.052 3.195 ( 1.718 1.934 0.000) 2.587 3.586 ( 2.453 -0.572 0.000) 2.519 4.122 ( 2.395 1.340 0.000) 2.745 4.667 ( -34.699 -0.428 0.000) 34.701 5.464 ( -77.326 -35.284 0.000) 84.996 6.337 ( 0.938 1.177 0.000) 1.505 6.929 ( 3.872 0.179 0.000) 3.876 7.054 ( -3.210 -0.423 0.000) 3.238 7.547 ( 0.791 0.079 0.000) 0.795 7.597 ( -0.754 -1.199 0.000) 1.417 7.615 ( 1.781 -1.103 0.000) 2.095 7.699 ( 0.231 -8.600 0.000) 8.603 7.918 ( -4.153 -1.158 0.000) 4.311 7.973 ( -5.215 -1.202 0.000) 5.352 8.385 ( 2.062 2.205 0.000) 3.019 8.511 ( 0.523 0.280 0.000) 0.593 9.140 ( 0.581 0.891 0.000) 1.063 9.351 ( 6.628 3.938 0.000) 7.709 9.418 ( 1.696 -0.383 0.000) 1.738 9.612 ( 4.333 -0.468 0.000) 4.358 10.423 ( 1.984 -0.433 0.000) 2.030 ======================= Grid point 54 (41/171) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 0.000 11.437 0.000) 11.437 0.548 ( 0.000 15.741 0.000) 15.741 0.860 ( 0.000 26.441 0.000) 26.441 0.963 ( -0.000 -0.351 0.000) 0.351 0.980 ( -0.000 -1.259 0.000) 1.259 1.194 ( -0.000 -1.366 0.000) 1.366 1.212 ( -0.000 -7.402 0.000) 7.402 1.328 ( -0.000 -2.972 0.000) 2.972 1.683 ( 0.000 0.945 0.000) 0.945 2.249 ( 0.000 0.109 0.000) 0.109 2.313 ( 0.000 5.021 0.000) 5.021 2.414 ( -0.000 -10.090 0.000) 10.090 2.542 ( -0.000 -0.191 0.000) 0.191 2.671 ( -0.000 -1.900 0.000) 1.900 2.724 ( 0.000 0.389 0.000) 0.389 3.218 ( 0.000 1.368 0.000) 1.368 3.614 ( -0.000 -0.636 0.000) 0.636 4.159 ( 0.000 0.849 0.000) 0.849 4.198 ( 0.000 2.498 0.000) 2.498 4.303 ( -0.000 -0.223 0.000) 0.223 6.340 ( 0.000 1.565 0.000) 1.565 6.964 ( 0.000 0.914 0.000) 0.914 7.024 ( -0.000 -0.884 0.000) 0.884 7.555 ( -0.000 -0.075 0.000) 0.075 7.593 ( -0.000 -0.930 0.000) 0.930 7.639 ( -0.000 -1.061 0.000) 1.061 7.752 ( -0.000 -10.242 0.000) 10.242 7.883 ( -0.000 -1.048 0.000) 1.048 7.922 ( -0.000 -0.369 0.000) 0.369 8.390 ( 0.000 1.819 0.000) 1.819 8.517 ( 0.000 0.644 0.000) 0.644 9.142 ( 0.000 0.802 0.000) 0.802 9.429 ( -0.000 -0.224 0.000) 0.224 9.436 ( -0.000 -0.382 0.000) 0.382 9.660 ( -0.000 -0.338 0.000) 0.338 10.446 ( -0.000 -0.465 0.000) 0.465 ======================= Grid point 61 (42/171) ======================= q-point: (-0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 0.023 0.000 0.000) 0.023 0.882 ( 3.047 0.000 0.000) 3.047 1.203 ( -1.468 -0.000 0.000) 1.468 1.227 ( 0.714 0.000 0.000) 0.714 1.465 ( -8.072 -0.000 0.000) 8.072 1.704 ( -2.689 -0.000 0.000) 2.689 1.822 ( -2.072 -0.000 0.000) 2.072 1.994 ( 8.220 0.000 0.000) 8.220 2.050 ( 6.833 0.000 0.000) 6.833 2.677 ( -1.688 -0.000 0.000) 1.688 2.694 ( -3.223 -0.000 0.000) 3.223 3.108 ( 0.454 0.000 0.000) 0.454 3.122 ( 2.572 0.000 0.000) 2.572 3.310 ( -3.576 -0.000 0.000) 3.576 3.403 ( -3.885 -0.000 0.000) 3.885 3.867 ( -9.385 -0.000 0.000) 9.385 3.982 ( -0.853 -0.000 0.000) 0.853 3.994 ( -6.554 -0.000 0.000) 6.554 6.394 ( -1.196 -0.000 0.000) 1.196 6.691 ( -5.944 -0.000 0.000) 5.944 7.170 ( 0.874 0.000 0.000) 0.874 7.230 ( 5.375 0.000 0.000) 5.375 7.259 ( 2.802 0.000 0.000) 2.802 7.506 ( 2.718 0.000 0.000) 2.718 7.559 ( -1.277 -0.000 0.000) 1.277 7.736 ( -4.445 -0.000 0.000) 4.445 8.118 ( 1.964 0.000 0.000) 1.964 8.295 ( -10.901 -0.000 0.000) 10.901 8.351 ( 0.320 0.000 0.000) 0.320 8.617 ( -5.787 -0.000 0.000) 5.787 9.001 ( 3.187 0.000 0.000) 3.187 9.078 ( 0.838 0.000 0.000) 0.838 9.154 ( -1.996 -0.000 0.000) 1.996 9.225 ( -2.659 -0.000 0.000) 2.659 9.284 ( -2.721 -0.000 0.000) 2.721 10.390 ( -1.532 -0.000 0.000) 1.532 ======================= Grid point 63 (43/171) ======================= q-point: (-0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 1.319 -0.040 0.000) 1.320 0.927 ( 1.507 0.239 0.000) 1.526 1.181 ( -1.178 -0.565 0.000) 1.306 1.243 ( 0.525 0.355 0.000) 0.634 1.302 ( -8.275 -1.885 0.000) 8.487 1.629 ( -4.926 0.051 0.000) 4.926 1.752 ( -5.114 0.030 0.000) 5.114 2.104 ( 1.492 0.462 0.000) 1.562 2.231 ( 10.448 -0.116 0.000) 10.449 2.608 ( -5.288 0.079 0.000) 5.288 2.690 ( 3.777 -0.234 0.000) 3.784 3.110 ( -0.337 -0.035 0.000) 0.339 3.193 ( 4.458 -0.017 0.000) 4.458 3.210 ( -6.369 -0.007 0.000) 6.369 3.286 ( -8.161 0.007 0.000) 8.161 3.606 ( -16.933 -0.139 0.000) 16.933 3.808 ( -12.373 0.140 0.000) 12.374 3.967 ( -0.530 -0.213 0.000) 0.571 6.416 ( 3.120 -1.116 0.000) 3.314 6.555 ( -7.329 -0.070 0.000) 7.329 7.194 ( 1.054 -0.142 0.000) 1.063 7.296 ( 0.551 0.160 0.000) 0.574 7.324 ( 4.498 1.580 0.000) 4.768 7.528 ( -2.723 0.055 0.000) 2.724 7.538 ( -0.497 0.054 0.000) 0.500 7.693 ( 1.918 -1.450 0.000) 2.405 7.975 ( -21.554 0.077 0.000) 21.554 8.190 ( 5.160 0.068 0.000) 5.160 8.348 ( -0.704 0.409 0.000) 0.815 8.465 ( -10.292 -1.452 0.000) 10.394 9.013 ( -12.171 0.287 0.000) 12.175 9.084 ( 4.870 0.101 0.000) 4.871 9.095 ( 0.963 0.064 0.000) 0.965 9.210 ( 1.358 0.243 0.000) 1.379 9.214 ( -3.667 0.102 0.000) 3.668 10.351 ( -2.056 0.060 0.000) 2.057 ======================= Grid point 64 (44/171) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 1.853 0.263 0.000) 1.872 0.942 ( 0.223 -0.162 0.000) 0.276 1.095 ( -8.468 -0.722 0.000) 8.498 1.195 ( -0.578 -0.380 0.000) 0.692 1.283 ( 0.927 -3.139 0.000) 3.273 1.513 ( -6.855 0.142 0.000) 6.856 1.620 ( -8.435 0.087 0.000) 8.435 2.046 ( -6.066 0.508 0.000) 6.087 2.416 ( 7.596 0.156 0.000) 7.597 2.494 ( -6.404 -0.419 0.000) 6.418 2.791 ( 4.399 0.530 0.000) 4.431 3.068 ( -7.686 0.161 0.000) 7.688 3.082 ( -11.874 0.365 0.000) 11.879 3.103 ( -0.408 -0.196 0.000) 0.453 3.200 ( -19.447 -0.395 0.000) 19.451 3.312 ( 2.637 -0.120 0.000) 2.640 3.507 ( -18.144 0.356 0.000) 18.147 3.971 ( 0.979 -0.091 0.000) 0.983 6.425 ( -5.630 -0.109 0.000) 5.631 6.518 ( 6.126 -1.931 0.000) 6.424 7.117 ( -16.681 -0.437 0.000) 16.687 7.276 ( -2.286 0.261 0.000) 2.301 7.374 ( -4.365 2.152 0.000) 4.866 7.415 ( -2.661 -1.406 0.000) 3.009 7.538 ( -10.546 0.264 0.000) 10.549 7.540 ( -4.405 0.203 0.000) 4.409 7.807 ( 6.719 -2.923 0.000) 7.327 8.182 ( -12.632 2.518 0.000) 12.881 8.294 ( -5.170 -3.500 0.000) 6.244 8.354 ( 4.583 -0.508 0.000) 4.611 8.725 ( -15.643 0.203 0.000) 15.644 9.110 ( 0.891 0.431 0.000) 0.990 9.161 ( -0.709 0.637 0.000) 0.953 9.187 ( 5.296 -0.085 0.000) 5.297 9.267 ( 4.252 0.222 0.000) 4.257 10.322 ( -0.693 0.046 0.000) 0.695 ======================= Grid point 65 (45/171) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 1.648 1.159 0.000) 2.015 0.940 ( -6.230 2.506 0.000) 6.715 0.942 ( -0.610 -1.560 0.000) 1.675 1.202 ( 0.525 -0.859 0.000) 1.007 1.316 ( -0.301 -3.388 0.000) 3.402 1.368 ( -6.964 -0.176 0.000) 6.966 1.422 ( -11.502 0.155 0.000) 11.503 1.898 ( -8.218 -0.537 0.000) 8.235 2.349 ( -9.577 -0.233 0.000) 9.580 2.503 ( 1.144 1.374 0.000) 1.788 2.746 ( -24.147 -0.855 0.000) 24.162 2.795 ( -5.732 1.227 0.000) 5.862 2.817 ( -11.404 0.406 0.000) 11.411 2.923 ( -6.712 0.269 0.000) 6.717 3.111 ( -18.409 0.831 0.000) 18.428 3.135 ( 0.373 0.349 0.000) 0.511 3.414 ( 5.396 -0.238 0.000) 5.401 4.009 ( 2.917 0.140 0.000) 2.920 6.343 ( -3.699 0.262 0.000) 3.708 6.452 ( -43.504 -0.705 0.000) 43.510 6.663 ( 7.324 -1.763 0.000) 7.533 7.044 ( -28.578 -5.802 0.000) 29.162 7.215 ( -3.545 0.539 0.000) 3.586 7.470 ( 3.356 -1.242 0.000) 3.579 7.473 ( 2.322 -0.442 0.000) 2.364 7.545 ( 0.364 0.413 0.000) 0.551 7.831 ( -11.275 -2.150 0.000) 11.478 8.005 ( 3.342 -1.083 0.000) 3.513 8.180 ( -7.707 -1.856 0.000) 7.928 8.449 ( -3.950 0.943 0.000) 4.061 8.463 ( -2.276 -0.067 0.000) 2.277 9.125 ( 0.925 0.645 0.000) 1.128 9.192 ( 4.345 1.837 0.000) 4.718 9.285 ( 4.569 -0.174 0.000) 4.572 9.369 ( 6.056 -0.060 0.000) 6.056 10.329 ( 1.387 -0.070 0.000) 1.389 ======================= Grid point 66 (46/171) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -1.190 3.535 0.000) 3.730 0.837 ( -1.183 9.390 0.000) 9.464 0.933 ( -1.563 -3.858 0.000) 4.163 1.173 ( -6.858 0.610 0.000) 6.885 1.197 ( -9.856 -0.487 0.000) 9.868 1.244 ( -0.637 -2.260 0.000) 2.349 1.332 ( -2.305 -0.285 0.000) 2.323 1.763 ( -6.632 -3.336 0.000) 7.424 2.066 ( -17.095 3.707 0.000) 17.492 2.255 ( -22.399 0.450 0.000) 22.403 2.497 ( -3.359 1.478 0.000) 3.670 2.575 ( -9.438 0.047 0.000) 9.438 2.701 ( -6.251 0.382 0.000) 6.263 2.748 ( -14.250 -0.462 0.000) 14.257 2.813 ( -4.326 0.369 0.000) 4.342 3.182 ( 2.444 1.373 0.000) 2.803 3.512 ( 4.257 -0.371 0.000) 4.273 4.076 ( 3.749 0.691 0.000) 3.812 5.511 ( -48.626 -0.402 0.000) 48.628 6.294 ( -52.806 -16.595 0.000) 55.352 6.330 ( 0.409 0.230 0.000) 0.470 6.813 ( 6.927 -0.983 0.000) 6.996 7.134 ( -4.463 0.338 0.000) 4.476 7.528 ( 2.061 0.126 0.000) 2.065 7.539 ( 2.138 -3.673 0.000) 4.251 7.559 ( 1.536 -0.609 0.000) 1.653 7.668 ( -5.313 -1.703 0.000) 5.579 8.012 ( -6.074 -0.793 0.000) 6.126 8.056 ( -5.019 -2.565 0.000) 5.636 8.358 ( 1.474 1.425 0.000) 2.050 8.506 ( 0.958 0.313 0.000) 1.008 9.139 ( 0.870 0.808 0.000) 1.187 9.288 ( 5.974 2.929 0.000) 6.653 9.364 ( 3.232 -0.296 0.000) 3.246 9.495 ( 6.424 -0.371 0.000) 6.435 10.370 ( 2.539 -0.236 0.000) 2.550 ======================= Grid point 67 (47/171) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -9.314 6.214 0.000) 11.197 0.777 ( 0.428 14.512 0.000) 14.518 0.943 ( 0.514 -3.276 0.000) 3.316 1.026 ( -6.432 0.029 0.000) 6.432 1.105 ( -1.030 -3.712 0.000) 3.852 1.226 ( -4.985 2.890 0.000) 5.762 1.275 ( 0.171 -2.069 0.000) 2.076 1.466 ( -20.120 8.644 0.000) 21.898 1.866 ( -15.775 0.284 0.000) 15.777 1.991 ( 11.102 -3.196 0.000) 11.553 2.382 ( -9.307 -0.636 0.000) 9.329 2.418 ( -2.933 3.651 0.000) 4.683 2.593 ( -4.774 -0.537 0.000) 4.804 2.608 ( -1.274 -1.152 0.000) 1.718 2.749 ( -2.059 0.339 0.000) 2.087 3.213 ( 1.634 1.578 0.000) 2.272 3.580 ( 2.398 -0.517 0.000) 2.454 4.136 ( 2.629 1.341 0.000) 2.951 4.663 ( -34.565 -0.371 0.000) 34.567 5.184 ( -68.783 -20.289 0.000) 71.713 6.348 ( 1.329 1.028 0.000) 1.680 6.931 ( 4.540 0.183 0.000) 4.544 7.049 ( -3.634 -0.350 0.000) 3.650 7.548 ( 0.688 0.242 0.000) 0.729 7.579 ( -0.103 -3.041 0.000) 3.043 7.603 ( 1.726 -1.190 0.000) 2.096 7.623 ( -1.333 -5.240 0.000) 5.407 7.907 ( -4.003 -0.933 0.000) 4.110 7.961 ( -4.613 -1.082 0.000) 4.738 8.406 ( 2.077 1.901 0.000) 2.815 8.510 ( 0.126 -0.529 0.000) 0.544 9.149 ( 0.565 0.883 0.000) 1.048 9.380 ( 4.438 1.837 0.000) 4.803 9.414 ( 1.654 -0.409 0.000) 1.704 9.608 ( 4.433 -0.382 0.000) 4.450 10.419 ( 1.942 -0.385 0.000) 1.979 ======================= Grid point 68 (48/171) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 0.000 8.925 0.000) 8.925 0.699 ( 0.000 13.627 0.000) 13.627 0.960 ( -0.000 -0.264 0.000) 0.264 0.963 ( -0.000 -1.891 0.000) 1.891 1.122 ( 0.000 24.561 0.000) 24.561 1.138 ( -0.000 -6.792 0.000) 6.792 1.175 ( -0.000 -2.311 0.000) 2.311 1.298 ( -0.000 -2.790 0.000) 2.790 1.693 ( 0.000 0.936 0.000) 0.936 2.250 ( 0.000 0.109 0.000) 0.109 2.302 ( -0.000 -11.704 0.000) 11.704 2.364 ( 0.000 4.726 0.000) 4.726 2.540 ( -0.000 -0.194 0.000) 0.194 2.647 ( -0.000 -2.782 0.000) 2.782 2.727 ( 0.000 0.335 0.000) 0.335 3.231 ( 0.000 1.137 0.000) 1.137 3.608 ( -0.000 -0.634 0.000) 0.634 4.169 ( 0.000 0.941 0.000) 0.941 4.224 ( 0.000 2.511 0.000) 2.511 4.301 ( -0.000 -0.217 0.000) 0.217 6.357 ( 0.000 1.577 0.000) 1.577 6.974 ( 0.000 0.960 0.000) 0.960 7.014 ( -0.000 -0.888 0.000) 0.888 7.555 ( 0.000 0.039 0.000) 0.039 7.583 ( -0.000 -1.196 0.000) 1.196 7.627 ( -0.000 -1.206 0.000) 1.206 7.652 ( -0.000 -9.010 0.000) 9.010 7.873 ( -0.000 -0.913 0.000) 0.913 7.917 ( -0.000 -0.548 0.000) 0.548 8.408 ( 0.000 1.827 0.000) 1.827 8.519 ( -0.000 -0.342 0.000) 0.342 9.150 ( 0.000 0.893 0.000) 0.893 9.427 ( -0.000 -0.201 0.000) 0.201 9.432 ( -0.000 -0.450 0.000) 0.450 9.656 ( -0.000 -0.362 0.000) 0.362 10.441 ( -0.000 -0.460 0.000) 0.460 ======================= Grid point 77 (49/171) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 1.971 0.000 0.000) 1.971 0.941 ( 0.005 0.000 0.000) 0.005 1.092 ( -7.944 -0.000 0.000) 7.944 1.194 ( -0.906 -0.000 0.000) 0.906 1.266 ( 1.085 0.000 0.000) 1.085 1.513 ( -6.885 -0.000 0.000) 6.885 1.620 ( -8.424 -0.000 0.000) 8.424 2.049 ( -6.227 -0.000 0.000) 6.227 2.417 ( 7.741 0.000 0.000) 7.741 2.491 ( -6.486 -0.000 0.000) 6.486 2.794 ( 4.550 0.000 0.000) 4.550 3.069 ( -7.649 -0.000 0.000) 7.649 3.084 ( -12.315 -0.000 0.000) 12.315 3.102 ( 0.185 0.000 0.000) 0.185 3.198 ( -19.497 -0.000 0.000) 19.497 3.312 ( 2.637 0.000 0.000) 2.637 3.509 ( -18.072 -0.000 0.000) 18.072 3.970 ( 1.025 0.000 0.000) 1.025 6.424 ( -5.613 -0.000 0.000) 5.613 6.508 ( 6.270 0.000 0.000) 6.270 7.114 ( -16.705 -0.000 0.000) 16.705 7.277 ( -2.184 -0.000 0.000) 2.184 7.389 ( -11.448 -0.000 0.000) 11.448 7.404 ( 3.301 0.000 0.000) 3.301 7.539 ( -15.527 -0.000 0.000) 15.527 7.541 ( 0.468 0.000 0.000) 0.468 7.792 ( 6.819 0.000 0.000) 6.819 8.200 ( -15.930 -0.000 0.000) 15.930 8.270 ( -1.451 -0.000 0.000) 1.451 8.352 ( 4.338 0.000 0.000) 4.338 8.726 ( -15.685 -0.000 0.000) 15.685 9.112 ( 0.897 0.000 0.000) 0.897 9.164 ( -0.590 -0.000 0.000) 0.590 9.186 ( 5.290 0.000 0.000) 5.290 9.268 ( 4.189 0.000 0.000) 4.189 10.322 ( -0.717 -0.000 0.000) 0.717 ======================= Grid point 79 (50/171) ======================= q-point: (-0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 2.007 0.412 0.000) 2.049 0.931 ( -1.143 -0.565 0.000) 1.275 0.963 ( -3.986 1.435 0.000) 4.236 1.196 ( 0.679 -0.289 0.000) 0.738 1.288 ( 0.217 -1.663 0.000) 1.677 1.367 ( -7.489 -0.072 0.000) 7.489 1.423 ( -11.533 0.051 0.000) 11.534 1.895 ( -8.879 -0.186 0.000) 8.881 2.347 ( -9.072 -0.156 0.000) 9.074 2.513 ( 2.007 0.559 0.000) 2.083 2.740 ( -24.692 -0.365 0.000) 24.695 2.805 ( -3.805 0.588 0.000) 3.850 2.819 ( -13.344 0.032 0.000) 13.344 2.925 ( -6.666 0.094 0.000) 6.667 3.117 ( -20.607 0.344 0.000) 20.610 3.138 ( 2.691 0.107 0.000) 2.693 3.412 ( 5.375 -0.086 0.000) 5.376 4.010 ( 3.043 0.052 0.000) 3.043 6.345 ( -2.497 0.132 0.000) 2.500 6.447 ( -44.615 -0.291 0.000) 44.616 6.650 ( 7.717 -0.648 0.000) 7.744 7.004 ( -31.215 -2.028 0.000) 31.281 7.219 ( -3.596 0.193 0.000) 3.601 7.461 ( 2.536 -0.437 0.000) 2.573 7.470 ( 2.302 -0.159 0.000) 2.307 7.548 ( 0.237 0.148 0.000) 0.280 7.816 ( -9.891 -0.722 0.000) 9.917 7.998 ( 2.292 -0.288 0.000) 2.310 8.166 ( -7.596 -0.711 0.000) 7.629 8.457 ( -0.941 0.598 0.000) 1.115 8.462 ( -4.810 -0.286 0.000) 4.819 9.130 ( 0.937 0.238 0.000) 0.967 9.204 ( 4.606 0.571 0.000) 4.642 9.284 ( 4.541 -0.070 0.000) 4.541 9.368 ( 5.932 -0.016 0.000) 5.932 10.328 ( 1.340 -0.024 0.000) 1.340 ======================= Grid point 80 (51/171) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.173 2.251 0.000) 2.257 0.901 ( -2.333 -2.475 0.000) 3.402 0.925 ( 1.661 6.908 0.000) 7.105 1.179 ( -7.529 0.551 0.000) 7.549 1.193 ( -10.662 -0.346 0.000) 10.667 1.224 ( 0.203 -1.542 0.000) 1.556 1.321 ( -1.031 -1.472 0.000) 1.797 1.735 ( -7.070 -2.031 0.000) 7.356 2.095 ( -15.865 1.786 0.000) 15.965 2.260 ( -22.920 0.370 0.000) 22.923 2.508 ( -2.242 0.724 0.000) 2.356 2.578 ( -9.988 0.363 0.000) 9.995 2.704 ( -6.331 0.298 0.000) 6.338 2.743 ( -14.986 -0.419 0.000) 14.992 2.816 ( -4.355 0.196 0.000) 4.359 3.193 ( 2.521 0.752 0.000) 2.631 3.509 ( 4.225 -0.207 0.000) 4.231 4.081 ( 3.995 0.400 0.000) 4.015 5.507 ( -48.654 -0.209 0.000) 48.654 6.167 ( -55.090 -8.178 0.000) 55.694 6.332 ( 0.659 0.104 0.000) 0.667 6.805 ( 7.439 -0.569 0.000) 7.461 7.136 ( -4.664 0.200 0.000) 4.668 7.508 ( 1.395 -2.236 0.000) 2.635 7.529 ( 2.776 0.106 0.000) 2.778 7.553 ( 0.645 -0.379 0.000) 0.749 7.657 ( -5.338 -0.615 0.000) 5.373 8.008 ( -6.421 -0.066 0.000) 6.422 8.034 ( -3.869 -1.776 0.000) 4.257 8.369 ( 1.378 0.715 0.000) 1.552 8.508 ( 0.699 0.109 0.000) 0.708 9.146 ( 0.873 0.473 0.000) 0.993 9.309 ( 5.671 1.277 0.000) 5.813 9.361 ( 3.190 -0.187 0.000) 3.196 9.493 ( 6.395 -0.181 0.000) 6.397 10.368 ( 2.488 -0.130 0.000) 2.491 ======================= Grid point 81 (52/171) ======================= q-point: (-0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -8.808 3.321 0.000) 9.413 0.911 ( 0.264 11.109 0.000) 11.112 0.916 ( 1.466 -1.657 0.000) 2.212 1.027 ( -6.719 0.072 0.000) 6.719 1.072 ( -2.512 -2.730 0.000) 3.710 1.230 ( -5.830 -1.128 0.000) 5.938 1.255 ( -1.094 -1.861 0.000) 2.159 1.564 ( -10.607 9.456 0.000) 14.210 1.869 ( -15.551 0.308 0.000) 15.554 1.949 ( 6.271 -4.727 0.000) 7.853 2.376 ( -9.798 -0.585 0.000) 9.815 2.450 ( -2.391 2.416 0.000) 3.398 2.588 ( -3.687 -0.462 0.000) 3.716 2.598 ( -2.800 -0.852 0.000) 2.927 2.752 ( -2.103 0.213 0.000) 2.114 3.227 ( 1.473 0.998 0.000) 1.779 3.575 ( 2.356 -0.359 0.000) 2.383 4.148 ( 2.837 1.002 0.000) 3.009 4.660 ( -34.464 -0.249 0.000) 34.465 5.030 ( -61.870 -10.337 0.000) 62.727 6.357 ( 1.666 0.694 0.000) 1.805 6.933 ( 5.093 0.138 0.000) 5.095 7.047 ( -3.989 -0.224 0.000) 3.996 7.535 ( -0.205 -4.319 0.000) 4.324 7.552 ( 0.545 0.386 0.000) 0.668 7.591 ( 1.739 -1.056 0.000) 2.034 7.595 ( -1.906 -1.176 0.000) 2.240 7.899 ( -3.922 -0.614 0.000) 3.970 7.952 ( -4.140 -0.775 0.000) 4.212 8.424 ( 2.527 1.571 0.000) 2.975 8.502 ( -0.592 -0.936 0.000) 1.107 9.157 ( 0.558 0.662 0.000) 0.866 9.393 ( 3.262 0.804 0.000) 3.359 9.410 ( 1.619 -0.326 0.000) 1.651 9.605 ( 4.473 -0.249 0.000) 4.480 10.415 ( 1.908 -0.264 0.000) 1.926 ======================= Grid point 82 (53/171) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 5.696 0.000) 5.696 0.826 ( 0.000 11.065 0.000) 11.065 0.944 ( -0.000 -1.762 0.000) 1.762 0.958 ( 0.000 0.046 0.000) 0.046 1.077 ( -0.000 -4.982 0.000) 4.982 1.146 ( -0.000 -3.492 0.000) 3.492 1.269 ( -0.000 -1.932 0.000) 1.932 1.365 ( 0.000 21.801 0.000) 21.801 1.702 ( 0.000 0.745 0.000) 0.745 2.175 ( -0.000 -13.020 0.000) 13.020 2.251 ( 0.000 0.088 0.000) 0.088 2.408 ( 0.000 3.625 0.000) 3.625 2.538 ( -0.000 -0.158 0.000) 0.158 2.618 ( -0.000 -2.718 0.000) 2.718 2.730 ( 0.000 0.232 0.000) 0.232 3.240 ( 0.000 0.744 0.000) 0.744 3.602 ( -0.000 -0.506 0.000) 0.506 4.178 ( 0.000 0.823 0.000) 0.823 4.248 ( 0.000 2.022 0.000) 2.022 4.299 ( -0.000 -0.169 0.000) 0.169 6.371 ( 0.000 1.275 0.000) 1.275 6.983 ( 0.000 0.806 0.000) 0.806 7.006 ( -0.000 -0.715 0.000) 0.715 7.556 ( -0.000 -4.624 0.000) 4.624 7.556 ( -0.000 -0.384 0.000) 0.384 7.585 ( -0.000 -2.526 0.000) 2.526 7.615 ( -0.000 -1.132 0.000) 1.132 7.864 ( -0.000 -0.663 0.000) 0.663 7.911 ( -0.000 -0.543 0.000) 0.543 8.428 ( 0.000 1.986 0.000) 1.986 8.511 ( -0.000 -1.280 0.000) 1.280 9.159 ( 0.000 0.792 0.000) 0.792 9.425 ( -0.000 -0.144 0.000) 0.144 9.427 ( -0.000 -0.419 0.000) 0.419 9.653 ( -0.000 -0.306 0.000) 0.306 10.437 ( -0.000 -0.365 0.000) 0.365 ======================= Grid point 93 (54/171) ======================= q-point: (-0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 2.000 0.000 0.000) 2.000 0.885 ( -3.942 -0.000 0.000) 3.942 0.963 ( 2.651 0.000 0.000) 2.651 1.182 ( -8.443 -0.000 0.000) 8.443 1.191 ( -10.978 -0.000 0.000) 10.978 1.216 ( 1.273 0.000 0.000) 1.273 1.311 ( -0.670 -0.000 0.000) 0.670 1.724 ( -7.368 -0.000 0.000) 7.368 2.104 ( -15.335 -0.000 0.000) 15.335 2.262 ( -23.130 -0.000 0.000) 23.130 2.512 ( -1.821 -0.000 0.000) 1.821 2.580 ( -10.212 -0.000 0.000) 10.212 2.706 ( -6.199 -0.000 0.000) 6.199 2.741 ( -15.439 -0.000 0.000) 15.439 2.817 ( -4.366 -0.000 0.000) 4.366 3.197 ( 2.544 0.000 0.000) 2.544 3.508 ( 4.214 0.000 0.000) 4.214 4.083 ( 4.086 0.000 0.000) 4.086 5.506 ( -48.666 -0.000 0.000) 48.666 6.126 ( -55.727 -0.000 0.000) 55.727 6.332 ( 0.750 0.000 0.000) 0.750 6.802 ( 7.631 0.000 0.000) 7.631 7.138 ( -4.735 -0.000 0.000) 4.735 7.496 ( 1.102 0.000 0.000) 1.102 7.530 ( 3.186 0.000 0.000) 3.186 7.551 ( 0.171 0.000 0.000) 0.171 7.654 ( -5.337 -0.000 0.000) 5.337 8.009 ( -7.539 -0.000 0.000) 7.539 8.023 ( -2.472 -0.000 0.000) 2.472 8.372 ( 1.352 0.000 0.000) 1.352 8.508 ( 0.595 0.000 0.000) 0.595 9.148 ( 0.875 0.000 0.000) 0.875 9.315 ( 5.562 0.000 0.000) 5.562 9.360 ( 3.175 0.000 0.000) 3.175 9.492 ( 6.384 0.000 0.000) 6.384 10.368 ( 2.469 0.000 0.000) 2.469 ======================= Grid point 95 (55/171) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -8.451 0.710 0.000) 8.481 0.909 ( 1.784 -0.061 0.000) 1.785 0.995 ( 0.402 4.739 0.000) 4.756 1.027 ( -6.872 0.033 0.000) 6.872 1.051 ( -3.301 -1.131 0.000) 3.489 1.215 ( -9.525 -1.200 0.000) 9.600 1.239 ( 0.317 -0.917 0.000) 0.970 1.641 ( -1.248 4.679 0.000) 4.842 1.871 ( -15.459 0.128 0.000) 15.459 1.905 ( 0.041 -2.951 0.000) 2.951 2.371 ( -10.124 -0.241 0.000) 10.127 2.466 ( -2.084 0.843 0.000) 2.248 2.585 ( -2.242 -0.134 0.000) 2.246 2.592 ( -4.577 -0.371 0.000) 4.592 2.753 ( -2.129 0.072 0.000) 2.130 3.234 ( 1.346 0.337 0.000) 1.388 3.573 ( 2.333 -0.128 0.000) 2.337 4.155 ( 2.958 0.372 0.000) 2.981 4.658 ( -34.411 -0.087 0.000) 34.411 4.962 ( -58.241 -3.154 0.000) 58.326 6.362 ( 1.863 0.244 0.000) 1.879 6.934 ( 5.408 0.052 0.000) 5.408 7.045 ( -4.193 -0.076 0.000) 4.194 7.503 ( -0.606 -1.622 0.000) 1.731 7.556 ( 0.342 0.262 0.000) 0.431 7.583 ( 1.869 -0.504 0.000) 1.936 7.589 ( -1.860 -0.300 0.000) 1.884 7.894 ( -3.883 -0.214 0.000) 3.889 7.946 ( -3.880 -0.283 0.000) 3.891 8.437 ( 3.356 0.742 0.000) 3.437 8.493 ( -1.567 -0.565 0.000) 1.666 9.162 ( 0.556 0.248 0.000) 0.609 9.398 ( 2.762 0.225 0.000) 2.772 9.407 ( 1.598 -0.126 0.000) 1.603 9.603 ( 4.480 -0.087 0.000) 4.481 10.414 ( 1.889 -0.094 0.000) 1.891 ======================= Grid point 96 (56/171) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.000 2.344 0.000) 2.344 0.918 ( 0.000 5.899 0.000) 5.899 0.932 ( -0.000 -0.495 0.000) 0.495 0.967 ( 0.000 2.512 0.000) 2.512 1.037 ( -0.000 -2.848 0.000) 2.848 1.104 ( -0.000 -4.526 0.000) 4.526 1.251 ( -0.000 -1.213 0.000) 1.213 1.571 ( 0.000 17.473 0.000) 17.473 1.708 ( 0.000 0.411 0.000) 0.411 2.039 ( -0.000 -12.755 0.000) 12.755 2.252 ( 0.000 0.049 0.000) 0.049 2.437 ( 0.000 1.959 0.000) 1.959 2.537 ( -0.000 -0.089 0.000) 0.089 2.594 ( -0.000 -1.677 0.000) 1.677 2.732 ( 0.000 0.116 0.000) 0.116 3.246 ( 0.000 0.348 0.000) 0.348 3.598 ( -0.000 -0.280 0.000) 0.280 4.185 ( 0.000 0.483 0.000) 0.483 4.264 ( 0.000 1.126 0.000) 1.126 4.297 ( -0.000 -0.092 0.000) 0.092 6.382 ( 0.000 0.712 0.000) 0.712 6.990 ( 0.000 0.462 0.000) 0.462 7.000 ( -0.000 -0.398 0.000) 0.398 7.506 ( -0.000 -3.595 0.000) 3.595 7.558 ( 0.000 0.204 0.000) 0.204 7.573 ( -0.000 -0.540 0.000) 0.540 7.605 ( -0.000 -0.745 0.000) 0.745 7.859 ( -0.000 -0.345 0.000) 0.345 7.906 ( -0.000 -0.338 0.000) 0.338 8.449 ( 0.000 2.131 0.000) 2.131 8.494 ( -0.000 -1.885 0.000) 1.885 9.166 ( 0.000 0.472 0.000) 0.472 9.424 ( -0.000 -0.074 0.000) 0.074 9.424 ( -0.000 -0.259 0.000) 0.259 9.650 ( -0.000 -0.176 0.000) 0.176 10.434 ( -0.000 -0.201 0.000) 0.201 ======================= Grid point 110 (57/171) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.000 0.000 0.000) 0.000 0.930 ( 0.000 0.000 0.000) 0.000 0.940 ( 0.000 0.000 0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.021 ( 0.000 0.000 0.000) 0.000 1.069 ( 0.000 0.000 0.000) 0.000 1.245 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 6.386 ( 0.000 0.000 0.000) 0.000 6.993 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 7.560 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.601 ( -0.000 -0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 8.468 ( -0.000 -0.000 0.000) 0.000 8.477 ( 0.000 0.000 0.000) 0.000 9.168 ( 0.000 0.000 0.000) 0.000 9.423 ( 0.000 0.000 0.000) 0.000 9.423 ( 0.000 0.000 0.000) 0.000 9.649 ( 0.000 0.000 0.000) 0.000 10.433 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 205 (58/171) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( 0.000 0.000 14.593) 14.593 0.445 ( 0.000 0.000 19.284) 19.284 0.748 ( 0.000 0.000 16.626) 16.626 0.958 ( 0.000 0.000 -1.245) 1.245 1.164 ( 0.000 0.000 9.585) 9.585 1.240 ( 0.000 0.000 2.993) 2.993 1.327 ( 0.000 0.000 -2.669) 2.669 1.483 ( 0.000 0.000 20.798) 20.798 1.626 ( 0.000 0.000 -3.834) 3.834 1.908 ( 0.000 0.000 0.078) 0.078 2.166 ( 0.000 0.000 -7.629) 7.629 2.271 ( 0.000 0.000 2.281) 2.281 2.512 ( 0.000 0.000 -3.050) 3.050 2.777 ( 0.000 0.000 8.415) 8.415 3.121 ( 0.000 0.000 -4.166) 4.166 3.521 ( 0.000 0.000 -10.786) 10.786 3.691 ( 0.000 0.000 3.171) 3.171 4.034 ( 0.000 0.000 -6.757) 6.757 4.180 ( 0.000 0.000 2.441) 2.441 4.306 ( 0.000 0.000 -0.276) 0.276 6.950 ( 0.000 0.000 0.241) 0.241 7.024 ( 0.000 0.000 -1.351) 1.351 7.351 ( 0.000 0.000 2.595) 2.595 7.556 ( 0.000 0.000 -2.928) 2.928 7.652 ( 0.000 0.000 3.883) 3.883 7.727 ( 0.000 0.000 4.644) 4.644 7.910 ( 0.000 0.000 0.270) 0.270 7.923 ( 0.000 0.000 0.023) 0.023 8.208 ( 0.000 0.000 -3.767) 3.767 8.292 ( 0.000 0.000 -4.292) 4.292 8.698 ( 0.000 0.000 2.923) 2.923 8.897 ( 0.000 0.000 -2.150) 2.150 9.178 ( 0.000 0.000 4.160) 4.160 9.565 ( 0.000 0.000 -7.049) 7.049 9.952 ( 0.000 0.000 7.041) 7.041 10.401 ( 0.000 0.000 -4.891) 4.891 ======================= Grid point 206 (59/171) ======================= q-point: ( 0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 14.038 0.057 9.315) 16.848 0.617 ( 8.989 -3.581 10.467) 14.254 0.882 ( 11.436 -3.007 6.627) 13.555 1.015 ( 5.266 -0.032 -1.474) 5.469 1.198 ( 3.211 0.096 3.746) 4.934 1.229 ( -5.815 1.397 -1.606) 6.192 1.422 ( 15.434 -0.019 3.705) 15.872 1.509 ( 6.269 0.036 27.707) 28.408 1.842 ( 17.783 0.124 -3.548) 18.134 1.906 ( -0.150 -0.829 0.129) 0.853 2.189 ( 2.928 -0.557 -7.181) 7.775 2.372 ( 9.541 0.028 1.150) 9.610 2.556 ( 4.172 -0.029 -2.886) 5.073 2.773 ( 0.055 0.185 7.846) 7.849 3.107 ( -2.688 0.521 0.552) 2.794 3.125 ( -10.097 -0.932 19.406) 21.895 3.504 ( -1.550 0.140 -9.899) 10.020 3.984 ( -3.196 -0.281 -9.341) 9.877 4.705 ( 36.098 0.168 2.415) 36.179 5.451 ( 55.101 3.711 -40.179) 68.295 6.926 ( -2.493 0.012 0.191) 2.500 7.000 ( -1.094 0.989 -2.110) 2.574 7.376 ( 3.232 5.379 1.643) 6.487 7.555 ( 0.070 1.972 -1.819) 2.683 7.621 ( -2.170 1.622 2.364) 3.596 7.705 ( -2.496 -0.860 3.791) 4.620 7.942 ( 3.178 0.500 0.630) 3.278 7.986 ( 6.234 0.110 0.260) 6.240 8.172 ( 0.318 11.335 -1.237) 11.407 8.290 ( -2.130 -6.702 -4.041) 8.111 8.565 ( -6.627 4.670 12.475) 14.877 8.915 ( -0.987 -7.550 -2.926) 8.157 9.164 ( -1.470 -0.429 3.526) 3.844 9.465 ( -7.419 0.565 -2.967) 8.010 9.780 ( -8.780 0.912 12.952) 15.674 10.377 ( -2.452 -0.241 -5.250) 5.799 ======================= Grid point 207 (60/171) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 5.892 -0.728 5.088) 7.819 0.766 ( 12.016 1.297 4.745) 12.984 1.084 ( -1.994 0.982 -2.839) 3.605 1.124 ( 10.337 -2.981 -0.178) 10.760 1.187 ( 5.757 0.629 0.895) 5.860 1.252 ( 1.771 0.009 -1.727) 2.474 1.580 ( 8.263 0.490 22.185) 23.679 1.890 ( 6.688 2.013 1.867) 7.230 1.956 ( 20.007 -3.986 10.599) 22.989 2.244 ( 17.537 1.951 -4.152) 18.127 2.294 ( 11.364 -2.138 -6.376) 13.205 2.612 ( 14.282 0.296 -0.136) 14.286 2.659 ( 5.979 -0.295 -1.954) 6.297 2.791 ( 1.906 -0.064 5.322) 5.653 3.064 ( 2.117 0.461 13.907) 14.075 3.091 ( -0.741 -1.402 1.044) 1.898 3.462 ( -2.543 0.220 -7.365) 7.794 3.924 ( -3.057 -0.420 -10.709) 11.144 5.562 ( 48.029 0.474 2.791) 48.112 6.124 ( 20.231 1.672 -15.179) 25.347 6.856 ( -4.274 0.384 0.439) 4.313 7.016 ( 4.237 2.303 -6.353) 7.976 7.403 ( 2.554 7.112 1.129) 7.641 7.530 ( -1.242 1.892 0.287) 2.281 7.570 ( -2.609 0.031 -0.096) 2.611 7.634 ( -5.244 -0.734 1.307) 5.454 8.016 ( 4.915 2.645 2.019) 5.935 8.141 ( 4.386 3.956 -1.669) 6.138 8.161 ( 8.309 3.969 1.419) 9.317 8.272 ( -1.739 -3.566 -0.980) 4.086 8.490 ( 0.039 0.820 10.767) 10.798 8.936 ( -0.459 -6.978 -2.064) 7.291 9.130 ( -1.970 -0.300 2.041) 2.853 9.333 ( -6.057 0.033 -3.188) 6.845 9.631 ( -6.991 0.398 9.660) 11.931 10.318 ( -3.291 -0.105 -6.073) 6.908 ======================= Grid point 208 (61/171) ======================= q-point: ( 0.21 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.580 -1.031 2.520) 2.784 0.991 ( 4.202 1.506 -0.777) 4.531 1.026 ( 3.619 1.971 1.555) 4.405 1.245 ( 0.376 0.942 -2.044) 2.282 1.321 ( 8.299 0.807 -0.406) 8.348 1.349 ( 7.539 -0.652 -0.406) 7.578 1.766 ( 10.045 0.166 23.032) 25.128 1.940 ( 3.287 0.355 1.050) 3.469 2.302 ( 6.729 -0.546 -0.615) 6.779 2.439 ( 11.000 -1.370 1.353) 11.167 2.660 ( 10.186 -0.937 -5.960) 11.839 2.819 ( 11.870 0.793 3.029) 12.276 2.845 ( 10.597 -0.750 3.157) 11.082 2.950 ( 16.823 -0.411 1.305) 16.879 3.063 ( -0.651 -0.399 -2.681) 2.787 3.196 ( 9.770 0.009 9.441) 13.586 3.405 ( -3.129 0.223 -3.284) 4.542 3.873 ( -2.114 -0.210 -11.387) 11.583 6.368 ( 8.716 0.496 1.695) 8.893 6.461 ( 38.707 0.548 -1.154) 38.728 6.782 ( -0.267 0.887 2.894) 3.039 7.126 ( 6.442 0.603 -5.310) 8.370 7.401 ( 0.460 5.339 0.374) 5.371 7.487 ( -4.109 -0.182 -1.469) 4.368 7.515 ( -2.460 0.513 1.021) 2.713 7.540 ( -2.201 -0.992 1.186) 2.690 8.098 ( 0.341 3.080 -0.389) 3.123 8.112 ( 0.786 1.308 1.515) 2.150 8.294 ( 3.697 0.434 1.176) 3.904 8.393 ( 11.107 -0.636 -1.010) 11.171 8.537 ( 6.481 4.200 8.504) 11.487 8.977 ( 1.467 -5.580 -1.182) 5.890 9.098 ( -1.401 -0.238 0.438) 1.487 9.218 ( -5.766 -0.329 -4.030) 7.043 9.492 ( -6.958 0.227 8.740) 11.174 10.262 ( -2.167 -0.051 -6.967) 7.296 ======================= Grid point 209 (62/171) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -0.450 -0.446 1.653) 1.770 0.938 ( -3.251 0.051 -1.462) 3.564 1.177 ( 6.529 1.301 0.835) 6.709 1.237 ( -0.285 1.061 -0.634) 1.269 1.459 ( 6.408 3.884 -0.826) 7.539 1.484 ( 6.510 0.167 -0.415) 6.526 1.939 ( 6.993 0.529 22.018) 23.108 2.020 ( 4.270 -1.604 3.728) 5.891 2.340 ( -2.243 -0.191 -3.893) 4.497 2.569 ( 2.988 0.045 4.134) 5.101 2.711 ( -1.712 -1.159 -3.086) 3.714 2.977 ( 8.635 -0.387 -2.228) 8.926 3.050 ( 0.753 0.031 -3.790) 3.864 3.222 ( 9.576 -0.112 8.030) 12.498 3.263 ( 21.290 0.464 2.176) 21.406 3.339 ( -3.372 0.225 0.773) 3.467 3.479 ( 17.734 -0.056 -0.841) 17.754 3.847 ( -0.540 0.136 -11.807) 11.820 6.499 ( 6.319 0.455 4.894) 8.005 6.651 ( -2.263 2.395 -0.480) 3.329 7.158 ( 13.990 0.904 -0.221) 14.021 7.218 ( 2.630 -0.965 -1.942) 3.409 7.331 ( -4.193 -0.259 1.746) 4.549 7.454 ( 0.789 0.328 -0.559) 1.021 7.542 ( 11.543 -0.114 1.436) 11.633 7.564 ( 3.987 -0.609 3.270) 5.192 7.998 ( -4.803 2.897 1.620) 5.838 8.175 ( 1.783 0.230 -1.474) 2.324 8.345 ( 1.547 0.139 2.805) 3.206 8.560 ( 6.915 2.752 1.956) 7.695 8.727 ( 13.055 2.923 2.277) 13.571 9.052 ( 3.548 -3.177 -1.154) 4.901 9.080 ( -0.601 -0.371 -0.658) 0.965 9.121 ( -3.777 -1.140 -2.676) 4.767 9.362 ( -6.115 -0.252 8.669) 10.611 10.241 ( 0.080 -0.117 -7.701) 7.702 ======================= Grid point 210 (63/171) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -0.567 0.010 1.196) 1.323 0.880 ( -2.869 -0.998 -0.991) 3.195 1.225 ( -0.301 0.835 0.109) 0.895 1.254 ( 1.934 0.858 -0.455) 2.164 1.536 ( 4.206 5.355 0.709) 6.846 1.606 ( 5.882 0.282 -0.723) 5.933 2.004 ( -1.113 -1.414 7.828) 8.032 2.109 ( 3.518 -1.273 19.803) 20.153 2.224 ( -8.584 0.053 -2.239) 8.872 2.618 ( 2.456 0.707 0.961) 2.731 2.678 ( -0.425 -0.402 -1.582) 1.687 3.065 ( 0.911 0.287 -2.783) 2.942 3.142 ( 7.583 -0.095 -3.864) 8.511 3.267 ( -3.727 0.144 3.584) 5.173 3.353 ( 4.428 0.059 3.896) 5.898 3.637 ( 16.127 0.529 0.358) 16.139 3.788 ( 11.107 0.673 -2.449) 11.394 3.859 ( 3.469 -0.087 -9.992) 10.578 6.585 ( -1.683 3.835 1.400) 4.416 6.628 ( 5.891 0.740 3.550) 6.918 7.167 ( -4.384 -1.988 -0.895) 4.897 7.213 ( -1.031 -0.648 -1.333) 1.805 7.287 ( -2.509 -0.648 2.270) 3.445 7.462 ( -0.417 -1.689 -1.033) 2.023 7.660 ( 5.516 -0.110 10.225) 11.619 7.899 ( -3.218 4.124 2.923) 5.992 7.950 ( 20.437 -0.263 -1.188) 20.473 8.173 ( -1.075 0.343 -2.357) 2.613 8.361 ( 0.249 -0.065 3.718) 3.727 8.645 ( 3.011 3.469 -0.836) 4.669 8.939 ( 8.256 1.079 -0.786) 8.364 9.069 ( -0.282 -0.518 -0.662) 0.886 9.084 ( 0.862 -1.201 0.255) 1.501 9.165 ( 4.732 -1.625 -1.178) 5.140 9.270 ( -3.052 -1.120 9.200) 9.757 10.263 ( 1.834 -0.245 -8.117) 8.325 ======================= Grid point 211 (64/171) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.226 0.379 1.003) 1.095 0.838 ( -1.983 -1.398 -0.561) 2.490 1.213 ( -0.625 0.707 0.454) 1.048 1.261 ( -0.284 0.833 -0.670) 1.106 1.575 ( 2.213 3.636 2.369) 4.871 1.709 ( 4.967 0.564 -0.955) 5.089 1.926 ( -6.593 -2.729 1.645) 7.323 2.042 ( -7.600 0.380 0.037) 7.610 2.176 ( 2.016 -0.162 24.609) 24.692 2.665 ( 2.746 0.357 -0.597) 2.832 2.702 ( 1.676 0.097 -0.830) 1.873 3.084 ( 1.356 0.350 -0.207) 1.416 3.190 ( -3.775 0.024 3.758) 5.326 3.268 ( 4.913 0.060 -3.396) 5.973 3.404 ( 0.988 -0.003 -0.514) 1.114 3.825 ( 2.158 0.434 -11.701) 11.906 3.904 ( 7.314 0.423 1.015) 7.396 4.011 ( 6.513 0.164 -1.456) 6.676 6.523 ( -1.979 3.323 2.689) 4.711 6.737 ( 4.688 0.704 1.189) 4.888 7.119 ( -1.633 -2.277 -0.341) 2.823 7.195 ( -0.818 -0.854 -0.839) 1.450 7.240 ( -2.345 -0.586 2.051) 3.169 7.460 ( -0.583 -1.702 -2.211) 2.850 7.749 ( 3.002 0.292 16.438) 16.713 7.839 ( -0.668 3.096 3.101) 4.433 8.123 ( -1.044 0.482 -3.143) 3.347 8.271 ( 9.238 0.283 -1.208) 9.321 8.364 ( 0.542 -0.312 3.134) 3.195 8.650 ( -0.397 1.706 -4.838) 5.146 9.014 ( 0.861 0.821 1.436) 1.865 9.066 ( -0.245 -0.315 0.000) 0.399 9.138 ( 2.718 -0.838 0.444) 2.878 9.242 ( 2.424 -0.793 1.026) 2.748 9.281 ( 2.528 -1.200 6.051) 6.667 10.303 ( 1.745 -0.237 -8.239) 8.425 ======================= Grid point 212 (65/171) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.000 -0.000 0.973) 0.973 0.821 ( 0.000 -0.000 -0.356) 0.356 1.201 ( 0.000 -0.000 0.684) 0.684 1.254 ( 0.000 -0.000 -0.587) 0.587 1.587 ( 0.000 -0.000 3.187) 3.187 1.785 ( -0.000 -0.000 -1.760) 1.760 1.834 ( 0.000 -0.000 1.211) 1.211 1.959 ( 0.000 -0.000 -0.831) 0.831 2.197 ( 0.000 -0.000 26.325) 26.325 2.698 ( 0.000 -0.000 -0.593) 0.593 2.719 ( 0.000 -0.000 -0.978) 0.978 3.121 ( -0.000 -0.000 2.262) 2.262 3.125 ( 0.000 -0.000 2.448) 2.448 3.322 ( 0.000 -0.000 -2.135) 2.135 3.407 ( 0.000 -0.000 -3.151) 3.151 3.838 ( 0.000 -0.000 -12.789) 12.789 3.982 ( 0.000 -0.000 1.552) 1.552 4.074 ( 0.000 -0.000 -0.920) 0.920 6.492 ( 0.000 -0.000 3.251) 3.251 6.784 ( 0.000 -0.000 -0.214) 0.214 7.112 ( 0.000 -0.000 -0.285) 0.285 7.194 ( 0.000 -0.000 -1.517) 1.517 7.212 ( -0.000 -0.000 3.345) 3.345 7.458 ( 0.000 -0.000 -2.655) 2.655 7.770 ( 0.000 -0.000 15.975) 15.975 7.834 ( 0.000 -0.000 5.862) 5.862 8.107 ( 0.000 -0.000 -2.799) 2.799 8.335 ( 0.000 -0.000 1.787) 1.787 8.397 ( 0.000 -0.000 -0.597) 0.597 8.638 ( 0.000 -0.000 -6.216) 6.216 9.013 ( 0.000 -0.000 2.914) 2.914 9.064 ( 0.000 -0.000 0.054) 0.054 9.170 ( 0.000 -0.000 0.475) 0.475 9.271 ( 0.000 -0.000 1.457) 1.457 9.314 ( 0.000 -0.000 4.577) 4.577 10.322 ( 0.000 -0.000 -8.249) 8.249 ======================= Grid point 221 (66/171) ======================= q-point: ( 0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 3.836 0.000 4.962) 6.272 0.776 ( 14.714 0.000 4.606) 15.418 1.089 ( -1.805 -0.000 -3.282) 3.745 1.107 ( 11.556 0.000 0.554) 11.569 1.191 ( 5.220 0.000 0.906) 5.298 1.252 ( 1.693 0.000 -1.743) 2.430 1.582 ( 8.100 0.000 22.467) 23.883 1.906 ( 0.963 0.000 0.200) 0.983 1.930 ( 25.930 0.000 12.126) 28.625 2.262 ( 23.305 0.000 -3.069) 23.506 2.276 ( 5.611 0.000 -7.353) 9.250 2.613 ( 14.450 0.000 -0.224) 14.451 2.658 ( 5.817 0.000 -1.892) 6.117 2.790 ( 1.776 0.000 5.239) 5.532 3.068 ( 2.975 0.000 17.805) 18.052 3.082 ( -1.453 -0.000 -2.875) 3.221 3.464 ( -2.560 -0.000 -7.359) 7.792 3.922 ( -2.997 -0.000 -10.767) 11.176 5.564 ( 48.045 0.000 2.872) 48.130 6.132 ( 19.278 0.000 -14.779) 24.291 6.858 ( -4.191 -0.000 0.418) 4.212 7.027 ( 3.850 0.000 -6.471) 7.529 7.439 ( 1.885 0.000 -1.584) 2.462 7.547 ( -1.858 -0.000 -1.874) 2.639 7.570 ( -2.974 -0.000 2.091) 3.635 7.626 ( -5.265 -0.000 1.820) 5.571 8.030 ( 5.252 0.000 0.661) 5.293 8.152 ( 9.166 0.000 -0.844) 9.205 8.211 ( -1.975 -0.000 -2.056) 2.851 8.238 ( 2.419 0.000 -2.272) 3.319 8.496 ( 0.160 0.000 14.567) 14.568 8.895 ( 0.509 0.000 -0.826) 0.970 9.129 ( -1.888 -0.000 2.066) 2.799 9.333 ( -6.158 -0.000 -3.237) 6.957 9.633 ( -7.073 -0.000 9.774) 12.065 10.317 ( -3.251 -0.000 -6.143) 6.950 ======================= Grid point 222 (67/171) ======================= q-point: ( 0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.938 -0.382 2.618) 2.807 1.002 ( 1.336 0.502 -1.830) 2.321 1.042 ( 5.479 0.869 1.920) 5.870 1.252 ( 0.529 0.347 -2.461) 2.541 1.330 ( 9.042 0.797 -0.001) 9.077 1.341 ( 8.174 -0.846 0.118) 8.218 1.768 ( 10.009 0.054 23.262) 25.324 1.942 ( 2.792 0.121 0.927) 2.945 2.298 ( 7.644 -0.257 -0.037) 7.649 2.430 ( 10.884 -0.437 0.656) 10.913 2.653 ( 9.901 -0.351 -6.065) 11.616 2.828 ( 11.513 0.890 3.048) 11.942 2.837 ( 10.991 -0.869 3.084) 11.449 2.947 ( 16.837 -0.130 1.368) 16.893 3.060 ( -0.521 -0.134 -2.700) 2.753 3.196 ( 9.980 0.004 9.486) 13.770 3.407 ( -3.168 0.078 -3.292) 4.569 3.872 ( -1.965 -0.074 -11.467) 11.634 6.371 ( 7.985 0.196 1.800) 8.187 6.465 ( 39.599 0.171 -0.922) 39.610 6.788 ( -0.361 0.303 2.690) 2.731 7.130 ( 5.590 0.142 -4.873) 7.418 7.449 ( -1.390 3.711 -0.845) 4.052 7.479 ( -4.379 -1.656 -1.182) 4.829 7.520 ( -2.764 0.627 1.108) 3.043 7.530 ( -1.951 -0.974 1.207) 2.492 8.117 ( -4.406 0.751 -0.826) 4.545 8.125 ( 4.082 0.946 -0.441) 4.213 8.297 ( 3.261 0.101 0.278) 3.275 8.389 ( 11.495 -0.187 -0.934) 11.534 8.572 ( 7.637 2.156 9.670) 12.510 8.931 ( 2.554 -2.650 -0.307) 3.693 9.096 ( -1.395 -0.079 0.622) 1.529 9.216 ( -5.918 -0.127 -4.270) 7.299 9.494 ( -7.094 0.077 8.802) 11.305 10.262 ( -2.162 -0.022 -7.018) 7.344 ======================= Grid point 223 (68/171) ======================= q-point: ( 0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -0.215 -0.259 1.651) 1.685 0.938 ( -3.689 0.002 -1.556) 4.004 1.188 ( 5.974 0.756 0.591) 6.051 1.246 ( -0.430 0.584 -0.806) 1.084 1.483 ( 7.013 0.228 -0.050) 7.017 1.492 ( 6.892 1.954 -0.797) 7.208 1.946 ( 7.579 0.701 22.815) 24.051 2.004 ( 3.004 -1.305 2.995) 4.438 2.338 ( -2.252 -0.107 -4.002) 4.593 2.569 ( 3.622 0.046 3.874) 5.304 2.701 ( -1.538 -0.715 -3.008) 3.454 2.974 ( 8.714 -0.204 -2.243) 9.000 3.050 ( 0.931 0.017 -3.835) 3.947 3.221 ( 9.670 -0.062 8.169) 12.659 3.266 ( 21.442 0.246 2.072) 21.543 3.340 ( -3.451 0.125 0.790) 3.542 3.478 ( 17.791 0.006 -0.765) 17.808 3.848 ( -0.450 0.076 -11.846) 11.855 6.503 ( 6.415 0.255 5.082) 8.188 6.670 ( -1.904 1.242 -0.668) 2.370 7.167 ( 14.219 0.678 -0.666) 14.251 7.209 ( 2.210 -0.687 -1.702) 2.873 7.330 ( -5.103 -0.005 1.785) 5.406 7.456 ( -0.447 0.080 -0.520) 0.691 7.541 ( 11.647 -0.089 1.457) 11.738 7.559 ( 4.002 -0.327 3.353) 5.231 8.021 ( -4.336 1.640 1.219) 4.794 8.177 ( 1.194 0.130 -2.111) 2.429 8.347 ( 1.654 0.202 2.893) 3.339 8.580 ( 7.922 1.228 0.301) 8.022 8.757 ( 11.661 2.626 3.742) 12.525 9.021 ( 4.938 -2.490 -0.805) 5.589 9.077 ( -0.618 -0.162 -0.104) 0.648 9.111 ( -4.380 -0.731 -3.399) 5.592 9.360 ( -6.386 -0.160 8.743) 10.828 10.240 ( 0.040 -0.066 -7.714) 7.714 ======================= Grid point 224 (69/171) ======================= q-point: ( 0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -0.345 0.011 1.042) 1.098 0.871 ( -3.246 -0.705 -0.921) 3.447 1.233 ( -0.463 0.601 0.117) 0.768 1.262 ( 1.930 0.549 -0.437) 2.054 1.582 ( 4.079 3.411 0.070) 5.318 1.610 ( 5.884 0.608 -0.531) 5.939 1.992 ( -2.623 -0.920 4.777) 5.527 2.096 ( 4.489 -1.182 23.179) 23.639 2.224 ( -8.435 0.026 -2.551) 8.812 2.626 ( 2.656 0.937 0.935) 2.968 2.672 ( -0.275 -0.796 -1.417) 1.648 3.068 ( 0.971 0.223 -2.823) 2.994 3.141 ( 7.731 -0.065 -3.864) 8.643 3.268 ( -3.791 0.092 3.544) 5.190 3.354 ( 4.430 0.047 3.940) 5.928 3.642 ( 16.076 0.369 0.328) 16.083 3.796 ( 12.337 0.791 -1.885) 12.505 3.857 ( 2.416 -0.361 -10.481) 10.762 6.618 ( 0.119 2.444 1.683) 2.970 6.635 ( 4.416 0.629 3.322) 5.561 7.149 ( -5.181 -1.359 -0.819) 5.419 7.208 ( -1.040 -0.324 -1.933) 2.219 7.282 ( -2.602 -0.351 2.397) 3.555 7.447 ( -0.730 -1.169 -0.819) 1.603 7.659 ( 5.584 -0.077 10.310) 11.726 7.936 ( -2.982 2.950 2.394) 4.830 7.948 ( 20.375 -0.172 -1.084) 20.404 8.174 ( -0.894 -0.057 -2.084) 2.269 8.362 ( 0.210 0.198 3.613) 3.625 8.675 ( 2.356 2.328 -2.190) 3.971 8.952 ( 7.931 1.272 0.315) 8.038 9.064 ( -0.096 -0.321 -0.529) 0.626 9.073 ( 0.757 -0.959 0.051) 1.223 9.148 ( 5.470 -1.606 -1.108) 5.808 9.259 ( -3.482 -0.831 9.316) 9.980 10.261 ( 1.802 -0.169 -8.120) 8.319 ======================= Grid point 225 (70/171) ======================= q-point: ( 0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -0.039 0.528 0.737) 0.907 0.823 ( -1.899 -1.346 -0.383) 2.359 1.220 ( -0.617 0.613 0.441) 0.975 1.268 ( -0.627 0.564 -0.661) 1.071 1.615 ( 1.311 4.161 1.558) 4.633 1.712 ( 4.868 0.002 -0.865) 4.945 1.897 ( -6.594 -2.792 1.848) 7.395 2.046 ( -7.608 0.285 -0.022) 7.613 2.173 ( 2.209 -0.324 24.833) 24.933 2.669 ( 2.470 0.519 -0.600) 2.595 2.702 ( 1.757 -0.220 -0.706) 1.906 3.088 ( 1.367 0.342 -0.194) 1.423 3.190 ( -3.885 0.057 3.678) 5.350 3.268 ( 4.968 0.026 -3.344) 5.989 3.404 ( 0.949 0.002 -0.552) 1.097 3.831 ( 2.151 0.600 -11.883) 12.091 3.908 ( 7.005 0.409 0.886) 7.073 4.010 ( 6.504 -0.173 -1.108) 6.600 6.554 ( -3.169 2.680 2.489) 4.839 6.743 ( 4.547 0.550 1.571) 4.842 7.097 ( -0.943 -1.925 -0.272) 2.161 7.188 ( -0.819 -0.568 -1.783) 2.043 7.235 ( -2.019 -0.378 2.456) 3.202 7.443 ( -0.195 -1.422 -1.769) 2.278 7.751 ( 3.283 0.142 16.428) 16.754 7.871 ( -1.841 2.922 2.623) 4.337 8.124 ( -1.224 -0.242 -2.877) 3.136 8.274 ( 9.424 0.352 -1.091) 9.494 8.363 ( 0.500 0.115 2.972) 3.016 8.665 ( -1.433 1.203 -5.531) 5.839 9.022 ( 0.435 0.733 1.761) 1.957 9.063 ( -0.127 -0.246 0.113) 0.299 9.130 ( 3.103 -0.795 0.580) 3.255 9.236 ( 2.854 -0.348 1.688) 3.335 9.268 ( 2.989 -1.291 5.494) 6.386 10.301 ( 1.816 -0.189 -8.248) 8.447 ======================= Grid point 226 (71/171) ======================= q-point: ( 0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -0.371 0.129 0.953) 1.031 0.820 ( 1.030 -0.142 -0.339) 1.094 1.204 ( -0.427 0.507 0.606) 0.898 1.252 ( -0.574 -0.364 -0.544) 0.871 1.595 ( -1.720 1.473 3.053) 3.802 1.774 ( -2.441 -2.012 -1.325) 3.430 1.838 ( 3.607 0.615 0.880) 3.763 1.959 ( -0.316 -0.008 -0.838) 0.896 2.196 ( -0.018 -0.132 26.378) 26.378 2.698 ( -0.149 -0.038 -0.589) 0.609 2.719 ( -0.106 -0.022 -0.959) 0.965 3.121 ( -2.603 -0.071 2.199) 3.408 3.126 ( 2.417 0.220 2.478) 3.469 3.322 ( -0.093 -0.008 -2.139) 2.141 3.407 ( 0.039 -0.011 -3.157) 3.157 3.840 ( -0.153 0.345 -12.924) 12.930 3.982 ( -0.217 -0.007 1.555) 1.570 4.072 ( -0.248 -0.317 -0.784) 0.881 6.492 ( -1.981 -0.082 3.245) 3.802 6.784 ( -0.510 -0.024 -0.222) 0.556 7.111 ( 1.325 -0.048 -0.347) 1.370 7.193 ( 1.031 -0.082 -1.532) 1.849 7.214 ( 0.105 0.303 3.391) 3.406 7.455 ( 0.876 -0.502 -2.451) 2.651 7.772 ( -0.702 0.256 16.278) 16.295 7.837 ( -1.096 0.575 5.385) 5.525 8.103 ( -0.593 -0.750 -2.694) 2.859 8.338 ( 0.001 0.643 1.647) 1.768 8.397 ( 0.211 0.023 -0.582) 0.619 8.637 ( -0.872 -0.247 -6.147) 6.213 9.013 ( -0.471 -0.145 2.895) 2.937 9.064 ( 0.187 0.008 0.050) 0.194 9.169 ( 0.325 -0.198 0.512) 0.638 9.274 ( 0.586 0.465 1.205) 1.418 9.313 ( 0.637 -0.204 4.780) 4.826 10.322 ( 0.148 -0.000 -8.249) 8.251 ======================= Grid point 227 (72/171) ======================= q-point: (-0.50 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.295 -0.238 1.249) 1.306 0.851 ( 2.219 1.254 -0.703) 2.644 1.206 ( 0.450 -0.535 0.460) 0.837 1.251 ( -0.041 -1.064 -0.633) 1.238 1.542 ( -3.806 -2.661 2.939) 5.496 1.702 ( -4.656 -0.899 -1.017) 4.850 1.952 ( 6.899 2.381 1.467) 7.444 2.038 ( 7.573 -0.417 0.134) 7.586 2.176 ( -1.940 -0.143 24.532) 24.609 2.662 ( -2.827 -0.125 -0.645) 2.902 2.700 ( -1.836 -0.416 -0.858) 2.068 3.081 ( -1.353 -0.265 -0.252) 1.401 3.190 ( 3.652 0.032 3.848) 5.306 3.267 ( -4.882 -0.094 -3.485) 5.999 3.404 ( -1.021 0.008 -0.479) 1.128 3.823 ( -2.274 -0.086 -11.662) 11.882 3.900 ( -7.474 -0.348 0.967) 7.544 4.007 ( -6.592 -0.561 -1.486) 6.780 6.489 ( 0.712 -3.306 2.908) 4.460 6.729 ( -4.854 -0.721 0.757) 4.965 7.141 ( 2.230 1.801 -0.473) 2.905 7.206 ( 1.038 1.455 -0.109) 1.790 7.247 ( 2.750 0.739 1.883) 3.413 7.476 ( 1.199 1.382 -2.509) 3.106 7.745 ( -2.540 -0.545 16.158) 16.366 7.811 ( -1.095 -2.339 3.801) 4.596 8.114 ( 0.946 -1.207 -3.251) 3.595 8.269 ( -9.277 -0.053 -1.381) 9.379 8.369 ( -0.455 0.694 3.122) 3.230 8.631 ( -0.690 -1.920 -3.981) 4.474 9.006 ( -1.045 -0.706 1.045) 1.638 9.069 ( 0.378 0.319 -0.119) 0.508 9.146 ( -2.281 0.670 0.326) 2.399 9.251 ( -2.296 0.873 0.042) 2.457 9.292 ( -2.012 1.048 6.895) 7.259 10.306 ( -1.666 0.237 -8.230) 8.400 ======================= Grid point 228 (73/171) ======================= q-point: (-0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.796 -0.006 1.378) 1.592 0.891 ( 2.418 1.081 -1.068) 2.856 1.216 ( 0.152 -0.941 0.115) 0.960 1.245 ( -1.872 -0.982 -0.468) 2.165 1.477 ( -4.929 -5.882 1.645) 7.848 1.603 ( -5.760 -0.316 -1.110) 5.875 2.021 ( -0.253 1.803 10.916) 11.067 2.120 ( -2.552 0.856 16.370) 16.590 2.223 ( 8.790 -0.084 -1.844) 8.982 2.612 ( -2.475 -0.342 0.992) 2.688 2.680 ( 0.860 -0.141 -1.775) 1.977 3.062 ( -0.860 -0.270 -2.745) 2.890 3.143 ( -7.403 0.109 -3.882) 8.359 3.265 ( 3.648 -0.178 3.639) 5.156 3.352 ( -4.431 -0.054 3.842) 5.865 3.631 ( -16.205 -0.581 0.411) 16.221 3.783 ( -10.476 -0.255 -2.726) 10.827 3.858 ( -3.841 -0.343 -9.828) 10.557 6.542 ( 2.236 -4.395 1.647) 5.199 6.620 ( -6.175 -0.817 3.230) 7.016 7.186 ( 3.071 1.510 -0.859) 3.528 7.224 ( 1.432 1.667 -0.899) 2.374 7.295 ( 2.477 1.031 2.247) 3.500 7.480 ( -0.062 1.807 -1.262) 2.205 7.661 ( -5.442 0.117 10.097) 11.470 7.854 ( 3.237 -4.591 3.562) 6.651 7.953 ( -20.315 0.271 -1.303) 20.359 8.168 ( 1.555 -0.664 -2.588) 3.092 8.364 ( -0.367 0.431 3.659) 3.702 8.606 ( -3.877 -3.945 0.766) 5.584 8.931 ( -8.349 -0.606 -1.963) 8.598 9.074 ( 0.406 0.562 -0.754) 1.025 9.097 ( -0.868 1.178 0.440) 1.528 9.180 ( -4.178 1.239 -1.267) 4.538 9.281 ( 2.563 1.128 9.070) 9.492 10.266 ( -1.874 0.273 -8.113) 8.331 ======================= Grid point 229 (74/171) ======================= q-point: (-0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 0.758 0.498 1.619) 1.856 0.937 ( 2.568 -0.145 -1.353) 2.907 1.163 ( -7.258 -1.450 1.286) 7.512 1.225 ( 0.137 -1.321 -0.437) 1.398 1.413 ( -4.829 -5.043 -0.676) 7.015 1.481 ( -6.700 -0.302 -1.032) 6.786 1.936 ( -7.038 -0.121 22.114) 23.207 2.036 ( -5.139 1.443 3.515) 6.391 2.342 ( 2.204 0.236 -3.758) 4.363 2.569 ( -2.224 -0.058 4.474) 4.996 2.723 ( 2.097 1.277 -3.179) 4.017 2.982 ( -8.479 0.521 -2.212) 8.778 3.050 ( -0.498 -0.041 -3.738) 3.771 3.223 ( -9.441 0.140 7.856) 12.283 3.257 ( -21.094 -0.620 2.329) 21.231 3.336 ( 3.285 -0.279 0.754) 3.382 3.480 ( -17.656 0.194 -0.974) 17.683 3.845 ( 0.688 -0.167 -11.754) 11.775 6.494 ( -6.151 -0.555 4.613) 7.709 6.622 ( 2.798 -3.257 -0.178) 4.297 7.149 ( -14.233 -0.899 0.235) 14.264 7.228 ( -2.866 1.064 -2.076) 3.695 7.336 ( 2.982 0.775 1.658) 3.499 7.449 ( -2.541 -0.712 -0.515) 2.688 7.543 ( -11.876 0.126 1.323) 11.950 7.571 ( -3.631 0.734 3.159) 4.868 7.963 ( 5.283 -3.777 2.109) 6.829 8.174 ( -2.211 0.160 -0.499) 2.272 8.344 ( -1.465 0.113 2.580) 2.969 8.524 ( -5.957 -4.272 4.346) 8.522 8.702 ( -14.180 -1.827 0.152) 14.298 9.081 ( -0.459 1.637 -0.469) 1.764 9.086 ( -1.004 1.698 -2.182) 2.942 9.134 ( 3.059 1.169 -2.008) 3.841 9.365 ( 5.730 0.247 8.567) 10.310 10.243 ( -0.143 0.143 -7.685) 7.687 ======================= Grid point 230 (75/171) ======================= q-point: (-0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -0.010 1.293 2.261) 2.604 0.973 ( -7.807 -1.808 1.003) 8.076 1.004 ( -1.037 -2.179 0.793) 2.540 1.233 ( -0.179 -1.285 -1.472) 1.962 1.313 ( -7.228 -0.900 -1.165) 7.376 1.353 ( -6.507 -0.043 -0.973) 6.579 1.764 ( -10.119 -0.272 22.723) 24.875 1.935 ( -4.248 -0.547 1.256) 4.463 2.307 ( -5.596 0.445 -1.439) 5.795 2.457 ( -10.591 2.202 2.376) 11.075 2.671 ( -10.828 1.236 -5.733) 12.314 2.812 ( -12.288 -0.532 2.951) 12.649 2.852 ( -10.016 0.551 3.267) 10.549 2.955 ( -16.803 0.704 1.237) 16.863 3.068 ( 0.934 0.646 -2.679) 2.910 3.196 ( -9.469 -0.011 9.355) 13.311 3.402 ( 3.067 -0.332 -3.272) 4.497 3.876 ( 2.384 0.314 -11.248) 11.502 6.362 ( -9.673 -0.595 1.475) 9.803 6.454 ( -37.463 -0.950 -1.539) 37.507 6.770 ( 0.085 -1.386 3.268) 3.551 7.115 ( -8.613 -1.634 -5.996) 10.621 7.344 ( -3.160 -5.538 2.082) 6.707 7.485 ( 4.482 -0.582 -1.608) 4.797 7.508 ( 2.342 -0.813 0.979) 2.665 7.550 ( 1.388 0.801 1.242) 2.028 8.058 ( -2.488 -4.335 1.785) 5.307 8.100 ( -0.542 -0.922 3.253) 3.424 8.287 ( -4.791 -1.090 2.804) 5.657 8.402 ( -10.365 1.079 -1.136) 10.482 8.495 ( -4.025 -3.786 6.052) 8.195 9.036 ( -0.128 5.687 -2.338) 6.150 9.101 ( 1.456 0.416 0.188) 1.526 9.222 ( 5.507 0.402 -3.653) 6.621 9.489 ( 6.723 -0.359 8.634) 10.948 10.263 ( 2.160 0.050 -6.887) 7.218 ======================= Grid point 231 (76/171) ======================= q-point: (-0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -12.970 -0.393 5.881) 14.247 0.770 ( -2.480 2.134 4.048) 5.204 1.068 ( 2.597 -2.249 -1.991) 3.971 1.156 ( -7.798 2.404 -1.590) 8.314 1.182 ( -6.828 0.057 0.989) 6.900 1.253 ( -2.081 0.257 -1.618) 2.649 1.573 ( -8.729 -0.874 21.514) 23.234 1.868 ( -7.021 -2.250 1.429) 7.510 2.005 ( -19.023 5.523 11.368) 22.838 2.228 ( -17.082 -1.142 -4.033) 17.588 2.313 ( -11.846 1.535 -6.763) 13.727 2.608 ( -13.948 -0.383 0.049) 13.954 2.663 ( -6.319 0.481 -2.105) 6.678 2.792 ( -2.239 0.170 5.552) 5.989 3.061 ( -1.809 -0.004 13.108) 13.232 3.107 ( 0.807 1.661 1.885) 2.639 3.459 ( 2.499 -0.392 -7.376) 7.798 3.930 ( 3.235 0.780 -10.550) 11.063 5.555 ( -47.993 -0.818 2.567) 48.068 6.097 ( -23.203 -3.620 -16.141) 28.495 6.850 ( 4.496 -0.734 0.494) 4.582 6.975 ( -5.712 -6.181 -4.476) 9.533 7.309 ( -4.530 -9.613 6.804) 12.619 7.519 ( 0.495 -0.368 0.281) 0.678 7.568 ( 2.515 -0.336 -0.749) 2.645 7.632 ( 4.890 -1.201 0.472) 5.058 7.976 ( -4.497 -4.906 6.631) 9.395 8.084 ( -5.097 -4.799 0.661) 7.032 8.142 ( -10.194 -1.571 1.309) 10.397 8.307 ( 2.890 3.261 0.628) 4.402 8.483 ( 0.256 -0.554 5.160) 5.196 9.017 ( 1.611 7.937 -4.457) 9.244 9.136 ( 2.304 0.824 1.918) 3.109 9.332 ( 5.780 -0.105 -3.059) 6.540 9.625 ( 6.783 -0.708 9.374) 11.592 10.319 ( 3.359 0.098 -5.904) 6.793 ======================= Grid point 232 (77/171) ======================= q-point: (-0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -9.232 4.525 10.052) 14.379 0.671 ( -6.349 6.112 8.950) 12.561 0.939 ( -11.061 7.591 3.869) 13.962 1.015 ( -5.356 0.111 -1.241) 5.499 1.193 ( -0.154 -1.831 -1.350) 2.279 1.205 ( 1.957 -2.140 3.972) 4.918 1.421 ( -14.249 -0.152 3.985) 14.796 1.509 ( -8.108 0.129 26.729) 27.932 1.840 ( -17.614 -0.232 -3.218) 17.907 1.921 ( 1.371 1.974 -0.078) 2.405 2.199 ( -2.749 1.352 -8.063) 8.625 2.372 ( -9.455 -0.047 1.172) 9.527 2.557 ( -4.264 0.076 -2.918) 5.168 2.770 ( -0.218 -0.460 8.290) 8.306 3.102 ( 5.338 -0.486 9.261) 10.701 3.139 ( 6.555 1.527 10.523) 12.491 3.501 ( 1.536 -0.387 -9.924) 10.050 3.989 ( 3.227 0.825 -9.247) 9.828 4.702 ( -35.954 -0.457 2.298) 36.030 5.378 ( -57.390 -10.276 -35.690) 68.359 6.925 ( 2.742 -0.186 0.266) 2.761 6.975 ( 1.932 -4.211 0.509) 4.661 7.267 ( -5.487 -14.033 11.704) 19.079 7.531 ( 0.104 -1.775 0.200) 1.789 7.608 ( 1.340 -0.792 -0.889) 1.793 7.710 ( 2.409 -0.466 3.591) 4.349 7.932 ( -2.537 -1.578 1.318) 3.266 7.982 ( -6.040 -0.675 1.011) 6.161 8.043 ( -2.001 -11.918 4.280) 12.820 8.351 ( 2.646 5.084 -2.709) 6.339 8.514 ( 2.232 -4.003 8.241) 9.430 9.014 ( 2.373 9.386 -7.150) 12.036 9.174 ( 1.926 1.542 3.067) 3.936 9.455 ( 6.405 -1.393 -2.761) 7.112 9.764 ( 7.121 -1.900 11.919) 14.014 10.380 ( 2.653 0.339 -5.027) 5.694 ======================= Grid point 233 (78/171) ======================= q-point: (-0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 0.000 15.135 9.812) 18.037 0.480 ( 0.000 6.502 17.415) 18.589 0.770 ( 0.000 4.339 15.686) 16.275 0.958 ( -0.000 -0.021 -1.154) 1.154 1.163 ( -0.000 -0.096 9.006) 9.006 1.239 ( -0.000 -0.174 3.053) 3.058 1.304 ( -0.000 -4.305 -1.390) 4.524 1.483 ( -0.000 -0.229 20.352) 20.353 1.629 ( 0.000 0.465 -3.817) 3.846 1.928 ( 0.000 3.565 -1.899) 4.039 2.173 ( 0.000 1.468 -8.398) 8.525 2.271 ( 0.000 0.032 2.273) 2.273 2.512 ( -0.000 -0.073 -3.046) 3.047 2.775 ( -0.000 -0.491 8.697) 8.711 3.125 ( 0.000 0.729 -4.027) 4.093 3.518 ( -0.000 -0.638 -10.338) 10.358 3.631 ( -0.000 -10.399 7.411) 12.770 4.048 ( 0.000 2.119 -7.058) 7.369 4.185 ( 0.000 0.963 2.375) 2.563 4.306 ( -0.000 -0.017 -0.233) 0.233 6.952 ( 0.000 0.294 0.200) 0.355 7.023 ( -0.000 -0.330 -1.321) 1.362 7.278 ( -0.000 -14.490 11.586) 18.553 7.541 ( -0.000 -2.257 -0.775) 2.386 7.631 ( -0.000 -2.338 1.097) 2.582 7.733 ( 0.000 0.411 5.317) 5.333 7.906 ( -0.000 -0.689 0.314) 0.757 7.923 ( 0.000 0.044 -0.039) 0.059 8.104 ( -0.000 -14.530 1.824) 14.644 8.348 ( 0.000 6.355 -4.357) 7.705 8.594 ( -0.000 -11.733 8.514) 14.497 8.992 ( 0.000 11.164 -8.541) 14.057 9.186 ( 0.000 1.533 3.629) 3.940 9.550 ( -0.000 -2.644 -6.204) 6.744 9.904 ( -0.000 -7.279 10.272) 12.589 10.407 ( 0.000 0.741 -4.867) 4.923 ======================= Grid point 236 (79/171) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -0.128 -0.000 1.646) 1.651 0.938 ( -3.839 -0.000 -1.593) 4.157 1.192 ( 5.775 0.000 0.517) 5.798 1.249 ( -0.493 -0.000 -0.876) 1.005 1.484 ( 6.760 0.000 0.215) 6.764 1.502 ( 7.500 0.000 -0.902) 7.554 1.951 ( 8.305 0.000 24.045) 25.439 1.997 ( 2.025 0.000 1.782) 2.698 2.338 ( -2.252 -0.000 -4.044) 4.629 2.570 ( 3.878 0.000 3.775) 5.412 2.697 ( -1.502 -0.000 -2.978) 3.335 2.973 ( 8.737 0.000 -2.249) 9.021 3.050 ( 0.995 0.000 -3.854) 3.980 3.221 ( 9.703 0.000 8.222) 12.718 3.268 ( 21.500 0.000 2.036) 21.596 3.341 ( -3.482 -0.000 0.796) 3.572 3.478 ( 17.813 0.000 -0.741) 17.828 3.849 ( -0.420 -0.000 -11.861) 11.868 6.504 ( 6.446 0.000 5.147) 8.249 6.677 ( -1.781 -0.000 -0.731) 1.926 7.171 ( 14.667 0.000 -0.894) 14.694 7.205 ( 1.725 0.000 -1.543) 2.314 7.330 ( -5.456 -0.000 1.797) 5.744 7.456 ( -0.876 -0.000 -0.491) 1.004 7.541 ( 11.763 0.000 1.448) 11.852 7.557 ( 3.946 0.000 3.386) 5.200 8.030 ( -4.145 -0.000 1.051) 4.276 8.177 ( 0.934 0.000 -2.305) 2.487 8.348 ( 1.702 0.000 2.901) 3.364 8.586 ( 8.311 0.000 -0.214) 8.314 8.772 ( 11.011 0.000 4.194) 11.782 9.007 ( 5.542 0.000 -0.651) 5.580 9.076 ( -0.578 -0.000 0.165) 0.601 9.108 ( -4.639 -0.000 -3.756) 5.969 9.359 ( -6.485 -0.000 8.770) 10.907 10.240 ( 0.026 0.000 -7.719) 7.719 ======================= Grid point 237 (80/171) ======================= q-point: ( 0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -0.205 0.005 0.953) 0.975 0.866 ( -3.466 -0.255 -0.879) 3.585 1.237 ( -0.586 0.222 0.122) 0.638 1.266 ( 1.936 0.185 -0.420) 1.989 1.600 ( 5.086 0.473 0.121) 5.110 1.620 ( 4.986 1.004 -0.841) 5.155 1.986 ( -3.784 -0.326 2.597) 4.601 2.087 ( 5.212 -0.490 25.568) 26.098 2.224 ( -8.356 0.007 -2.723) 8.788 2.635 ( 3.195 0.622 1.059) 3.423 2.664 ( -0.615 -0.585 -1.461) 1.690 3.070 ( 1.013 0.084 -2.850) 3.026 3.140 ( 7.814 -0.023 -3.869) 8.719 3.269 ( -3.826 0.032 3.522) 5.201 3.354 ( 4.433 0.018 3.963) 5.946 3.644 ( 16.052 0.132 0.317) 16.056 3.803 ( 13.763 0.388 -1.169) 13.818 3.853 ( 1.075 -0.229 -11.162) 11.216 6.633 ( 5.871 0.509 3.795) 7.009 6.641 ( -1.106 0.565 1.240) 1.755 7.139 ( -5.611 -0.459 -0.798) 5.686 7.206 ( -1.113 -0.113 -2.277) 2.537 7.279 ( -2.656 -0.108 2.487) 3.640 7.438 ( -0.873 -0.415 -0.689) 1.187 7.658 ( 5.624 -0.028 10.352) 11.781 7.947 ( 20.492 -0.061 -1.030) 20.518 7.957 ( -2.990 1.099 2.083) 3.806 8.173 ( -0.858 -0.109 -1.868) 2.059 8.364 ( 0.208 0.128 3.482) 3.491 8.691 ( 2.023 0.809 -2.958) 3.674 8.962 ( 7.547 0.625 0.990) 7.637 9.062 ( 0.172 0.037 -0.352) 0.394 9.065 ( 0.493 -0.507 -0.148) 0.723 9.135 ( 6.116 -0.736 -1.096) 6.257 9.253 ( -3.737 -0.307 9.379) 10.101 10.260 ( 1.785 -0.060 -8.122) 8.316 ======================= Grid point 238 (81/171) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.380 0.557 0.486) 0.831 0.811 ( -2.132 -1.012 -0.188) 2.368 1.225 ( -0.548 0.344 0.434) 0.779 1.272 ( -0.881 0.284 -0.633) 1.121 1.657 ( 1.493 3.820 0.605) 4.146 1.708 ( 4.125 -0.945 -0.731) 4.294 1.871 ( -6.762 -2.045 2.224) 7.406 2.048 ( -7.605 0.151 -0.047) 7.607 2.170 ( 2.395 -0.247 25.036) 25.152 2.675 ( 2.042 0.483 -0.669) 2.202 2.698 ( 2.062 -0.343 -0.523) 2.155 3.091 ( 1.378 0.212 -0.199) 1.409 3.191 ( -3.960 0.046 3.621) 5.366 3.268 ( 5.020 0.007 -3.322) 6.020 3.404 ( 0.916 0.003 -0.581) 1.085 3.837 ( 2.218 0.435 -12.087) 12.297 3.912 ( 6.663 0.270 0.641) 6.699 4.008 ( 6.553 -0.234 -0.631) 6.588 6.576 ( -4.025 1.494 2.349) 4.894 6.748 ( 4.457 0.297 1.831) 4.827 7.081 ( -0.465 -1.071 -0.279) 1.200 7.183 ( -0.822 -0.328 -2.478) 2.631 7.233 ( -1.822 -0.171 2.793) 3.339 7.432 ( 0.002 -0.781 -1.402) 1.605 7.752 ( 3.416 0.059 16.391) 16.743 7.896 ( -2.483 1.813 2.280) 3.828 8.120 ( -1.398 -0.422 -2.582) 2.967 8.277 ( 9.684 0.208 -1.007) 9.738 8.365 ( 0.407 0.242 2.735) 2.776 8.674 ( -2.179 0.598 -5.953) 6.367 9.028 ( -0.064 0.426 1.962) 2.008 9.061 ( -0.046 -0.132 0.194) 0.239 9.123 ( 3.373 -0.490 0.694) 3.479 9.235 ( 3.445 0.293 1.577) 3.800 9.255 ( 3.236 -1.209 5.662) 6.633 10.299 ( 1.865 -0.105 -8.253) 8.462 ======================= Grid point 239 (82/171) ======================= q-point: ( 0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.755 0.173 0.906) 1.192 0.818 ( 1.943 -0.190 -0.301) 1.975 1.211 ( -0.581 0.786 0.411) 1.060 1.247 ( -1.190 -0.611 -0.426) 1.404 1.615 ( -3.590 2.472 2.717) 5.136 1.748 ( -2.390 -2.861 -0.730) 3.799 1.844 ( 4.960 0.484 0.558) 5.015 1.959 ( -0.571 -0.010 -0.852) 1.026 2.194 ( -0.033 -0.160 26.494) 26.494 2.698 ( -0.268 -0.047 -0.581) 0.641 2.719 ( -0.190 -0.027 -0.917) 0.937 3.120 ( -3.007 -0.043 2.111) 3.674 3.128 ( 2.673 0.227 2.494) 3.663 3.322 ( -0.170 -0.010 -2.149) 2.156 3.407 ( 0.071 -0.014 -3.170) 3.171 3.845 ( -0.270 0.446 -13.251) 13.261 3.982 ( -0.392 -0.008 1.561) 1.610 4.068 ( -0.450 -0.411 -0.456) 0.761 6.491 ( -3.562 -0.102 3.231) 4.810 6.784 ( -0.917 -0.030 -0.240) 0.949 7.111 ( 2.334 -0.057 -0.480) 2.383 7.193 ( 1.668 -0.076 -1.617) 2.325 7.217 ( 0.487 0.355 3.543) 3.594 7.449 ( 1.402 -0.611 -2.018) 2.532 7.775 ( -1.029 0.256 16.860) 16.893 7.845 ( -2.112 0.797 4.437) 4.978 8.094 ( -1.004 -0.940 -2.483) 2.839 8.346 ( -0.085 0.773 1.350) 1.558 8.398 ( 0.421 0.036 -0.542) 0.687 8.634 ( -1.573 -0.319 -5.989) 6.200 9.011 ( -0.810 -0.176 2.854) 2.972 9.064 ( 0.333 0.010 0.041) 0.336 9.166 ( 0.598 -0.242 0.589) 0.873 9.280 ( 0.863 0.685 0.361) 1.159 9.310 ( 1.296 -0.368 5.518) 5.680 10.322 ( 0.267 -0.000 -8.249) 8.253 ======================= Grid point 240 (83/171) ======================= q-point: (-0.57 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 0.307 -0.131 1.451) 1.489 0.863 ( 2.487 0.944 -0.802) 2.779 1.203 ( 0.032 -0.116 0.423) 0.440 1.239 ( -0.227 -1.187 -0.534) 1.321 1.520 ( -5.627 -1.610 3.281) 6.710 1.692 ( -4.081 -0.949 -1.036) 4.316 1.974 ( 7.496 1.865 1.093) 7.802 2.034 ( 7.518 -0.379 0.287) 7.533 2.173 ( -2.066 -0.375 24.727) 24.816 2.662 ( -2.704 0.091 -0.742) 2.805 2.694 ( -2.196 -0.584 -0.783) 2.404 3.079 ( -1.359 -0.154 -0.321) 1.405 3.191 ( 3.548 0.069 3.940) 5.303 3.266 ( -4.884 -0.105 -3.600) 6.069 3.404 ( -1.042 0.010 -0.452) 1.136 3.823 ( -2.482 0.199 -11.767) 12.028 3.897 ( -7.445 -0.211 0.736) 7.484 4.000 ( -6.727 -0.765 -1.181) 6.872 6.458 ( -0.388 -2.639 3.102) 4.091 6.722 ( -5.007 -0.589 0.361) 5.054 7.154 ( 2.340 0.869 -0.410) 2.530 7.224 ( 1.743 1.774 -0.310) 2.506 7.256 ( 3.195 0.924 2.313) 4.051 7.486 ( 1.909 0.538 -2.461) 3.161 7.738 ( -2.255 -0.655 15.202) 15.382 7.793 ( -2.915 -1.125 4.915) 5.824 8.100 ( 0.956 -1.408 -3.255) 3.673 8.269 ( -9.451 0.096 -1.556) 9.579 8.377 ( -0.318 0.792 2.973) 3.093 8.612 ( -1.606 -1.701 -3.142) 3.917 9.000 ( -1.041 -0.486 0.683) 1.337 9.072 ( 0.497 0.257 -0.222) 0.602 9.152 ( -1.868 0.419 0.252) 1.931 9.259 ( -2.406 0.665 -0.887) 2.649 9.302 ( -1.564 0.824 7.679) 7.880 10.308 ( -1.595 0.190 -8.221) 8.376 ======================= Grid point 241 (84/171) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.978 -0.006 1.550) 1.833 0.901 ( 1.981 0.953 -1.136) 2.474 1.206 ( -0.077 -0.989 0.190) 1.010 1.235 ( -1.501 -0.773 -0.524) 1.768 1.419 ( -6.120 -5.319 2.608) 8.517 1.599 ( -5.650 -0.343 -1.486) 5.852 2.040 ( -1.493 2.019 14.123) 14.344 2.125 ( -1.538 0.188 12.858) 12.951 2.222 ( 9.030 -0.102 -1.452) 9.146 2.611 ( -2.733 -0.008 1.022) 2.918 2.676 ( 1.505 -0.564 -1.947) 2.525 3.060 ( -0.837 -0.200 -2.724) 2.856 3.144 ( -7.229 0.103 -3.920) 8.224 3.263 ( 3.573 -0.179 3.702) 5.148 3.352 ( -4.440 -0.038 3.786) 5.835 3.625 ( -16.300 -0.518 0.482) 16.316 3.783 ( -10.468 0.242 -2.735) 10.822 3.852 ( -3.545 -0.732 -9.953) 10.591 6.498 ( 2.440 -4.033 1.989) 5.116 6.612 ( -6.237 -0.747 2.806) 6.880 7.195 ( 1.875 0.472 -0.308) 1.958 7.246 ( 1.609 2.392 -1.256) 3.144 7.309 ( 2.739 1.649 2.417) 4.008 7.497 ( -0.607 1.397 -1.449) 2.103 7.662 ( -5.393 0.096 9.927) 11.298 7.807 ( 3.080 -4.318 4.296) 6.825 7.956 ( -20.164 0.215 -1.432) 20.216 8.161 ( 2.371 -0.635 -2.839) 3.753 8.369 ( -0.554 0.626 3.450) 3.550 8.567 ( -4.792 -3.647 2.317) 6.452 8.927 ( -8.283 -0.229 -2.944) 8.794 9.080 ( 0.484 0.488 -0.814) 1.066 9.108 ( -0.839 0.956 0.571) 1.394 9.190 ( -3.841 0.777 -1.341) 4.142 9.292 ( 2.108 0.912 8.974) 9.264 10.269 ( -1.913 0.247 -8.108) 8.335 ======================= Grid point 242 (85/171) ======================= q-point: (-0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 1.024 0.387 1.515) 1.869 0.935 ( 1.743 -0.232 -1.272) 2.170 1.149 ( -7.796 -1.082 1.967) 8.113 1.211 ( 0.006 -1.271 -0.272) 1.300 1.358 ( -3.196 -5.435 -0.530) 6.328 1.477 ( -6.894 -0.441 -1.633) 7.099 1.936 ( -7.434 0.200 22.535) 23.731 2.049 ( -5.677 1.115 2.953) 6.495 2.345 ( 2.118 0.231 -3.628) 4.207 2.568 ( -1.511 -0.127 4.811) 5.045 2.736 ( 2.652 1.160 -3.270) 4.367 2.988 ( -8.246 0.569 -2.199) 8.553 3.049 ( -0.216 -0.044 -3.696) 3.703 3.225 ( -9.307 0.141 7.702) 12.081 3.250 ( -20.913 -0.675 2.498) 21.073 3.333 ( 3.224 -0.279 0.741) 3.320 3.483 ( -17.567 0.338 -1.150) 17.608 3.844 ( 0.879 -0.166 -11.698) 11.732 6.488 ( -5.919 -0.519 4.294) 7.331 6.587 ( 3.378 -3.552 0.193) 4.906 7.140 ( -14.634 -0.773 0.639) 14.668 7.239 ( -3.170 1.024 -2.079) 3.927 7.347 ( 1.464 1.382 1.478) 2.498 7.440 ( -4.192 -1.034 -0.356) 4.332 7.545 ( -12.659 0.157 1.148) 12.712 7.578 ( -3.009 0.625 3.007) 4.300 7.922 ( 5.580 -4.180 2.720) 7.484 8.180 ( -2.035 1.179 0.271) 2.367 8.347 ( -1.485 0.306 2.314) 2.767 8.475 ( -5.583 -5.092 6.486) 9.959 8.689 ( -14.599 -0.799 -1.584) 14.706 9.088 ( 0.663 0.517 -0.953) 1.271 9.110 ( -0.801 2.198 -2.210) 3.218 9.144 ( 2.386 0.899 -1.576) 2.998 9.367 ( 5.318 0.172 8.466) 9.999 10.244 ( -0.218 0.141 -7.670) 7.675 ======================= Grid point 243 (86/171) ======================= q-point: (-0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.348 0.918 1.713) 1.974 0.960 ( -7.660 -0.549 1.906) 7.913 0.982 ( -1.094 -2.042 0.879) 2.478 1.220 ( 0.034 -1.343 -0.978) 1.662 1.302 ( -5.745 -1.215 -1.928) 6.181 1.348 ( -5.832 -0.905 -1.392) 6.064 1.761 ( -10.242 -0.333 22.487) 24.712 1.929 ( -5.545 -0.637 1.485) 5.776 2.311 ( -4.823 0.177 -2.045) 5.242 2.482 ( -9.326 2.523 3.217) 10.183 2.684 ( -11.869 1.198 -5.354) 13.076 2.809 ( -12.638 -0.117 2.745) 12.933 2.857 ( -9.205 0.323 3.373) 9.809 2.964 ( -16.798 0.921 1.246) 16.869 3.076 ( 1.393 0.835 -2.750) 3.194 3.196 ( -9.266 -0.012 9.246) 13.090 3.399 ( 3.006 -0.383 -3.263) 4.453 3.880 ( 2.722 0.361 -11.083) 11.418 6.356 ( -10.370 -0.518 1.141) 10.445 6.442 ( -36.413 -1.241 -1.954) 36.487 6.754 ( -0.175 -1.700 3.745) 4.117 7.090 ( -12.692 -3.281 -6.072) 14.447 7.294 ( -4.521 -3.956 3.540) 6.973 7.476 ( 4.659 -1.149 -1.830) 5.136 7.499 ( 1.996 -0.844 1.185) 2.470 7.557 ( 0.415 0.647 1.250) 1.467 8.013 ( -2.409 -4.383 3.579) 6.150 8.095 ( -1.922 0.059 5.413) 5.744 8.271 ( -6.436 -1.995 4.934) 8.352 8.414 ( -9.453 1.266 -1.240) 9.617 8.461 ( -0.961 -2.622 2.851) 3.991 9.088 ( 0.597 3.961 -3.351) 5.222 9.108 ( 1.952 1.252 0.074) 2.320 9.226 ( 5.199 0.327 -3.288) 6.160 9.485 ( 6.443 -0.444 8.506) 10.680 10.263 ( 2.125 0.025 -6.808) 7.132 ======================= Grid point 244 (87/171) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -9.702 2.017 5.066) 11.130 0.801 ( -1.266 3.711 3.884) 5.519 1.038 ( 2.570 -3.548 -1.067) 4.509 1.162 ( -7.473 -0.424 -1.437) 7.622 1.195 ( -4.606 1.555 -0.316) 4.872 1.258 ( -2.679 0.773 -1.376) 3.109 1.563 ( -9.419 -1.066 20.815) 22.871 1.843 ( -6.586 -2.732 1.249) 7.238 2.066 ( -18.178 6.074 11.908) 22.564 2.222 ( -17.645 0.038 -3.697) 18.028 2.325 ( -11.633 0.666 -7.351) 13.777 2.605 ( -13.709 -0.171 0.165) 13.711 2.668 ( -6.643 0.504 -2.282) 7.042 2.794 ( -2.628 0.290 5.881) 6.448 3.064 ( -1.759 0.434 13.769) 13.888 3.124 ( 1.200 1.562 1.249) 2.333 3.455 ( 2.442 -0.478 -7.383) 7.791 3.939 ( 3.517 1.015 -10.334) 10.964 5.546 ( -47.958 -0.956 2.251) 48.021 6.049 ( -28.178 -5.643 -16.887) 33.332 6.841 ( 4.478 -1.181 0.587) 4.668 6.890 ( -7.536 -9.654 2.186) 12.441 7.229 ( -5.176 -5.620 8.045) 11.095 7.519 ( 0.324 0.193 0.211) 0.432 7.562 ( 2.588 -0.947 -1.060) 2.953 7.610 ( 3.895 -2.830 -0.195) 4.818 7.927 ( -4.683 -4.196 11.429) 13.044 8.048 ( -5.871 -2.538 0.394) 6.408 8.123 ( -9.287 -2.116 1.917) 9.716 8.339 ( 3.181 2.938 1.662) 4.638 8.479 ( 0.517 -0.266 1.520) 1.628 9.086 ( 1.405 4.979 -5.261) 7.378 9.151 ( 3.290 2.552 0.743) 4.229 9.331 ( 5.388 -0.235 -2.908) 6.127 9.617 ( 6.531 -0.880 9.023) 11.174 10.320 ( 3.376 -0.003 -5.721) 6.643 ======================= Grid point 245 (88/171) ======================= q-point: (-0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -3.372 9.932 8.306) 13.379 0.735 ( -3.572 6.120 7.660) 10.435 1.013 ( -5.420 1.438 -0.795) 5.663 1.029 ( -8.642 7.253 0.456) 11.292 1.147 ( 3.682 -5.748 -1.217) 6.934 1.203 ( -3.004 0.637 4.442) 5.400 1.416 ( -11.315 -0.951 5.743) 12.725 1.514 ( -12.183 1.111 23.905) 26.854 1.838 ( -17.242 -0.026 -2.779) 17.465 1.942 ( 2.451 2.017 0.247) 3.184 2.214 ( -2.383 1.427 -9.375) 9.778 2.371 ( -9.329 0.025 1.144) 9.399 2.558 ( -4.426 0.091 -2.968) 5.330 2.765 ( -0.518 -0.493 9.021) 9.049 3.098 ( 5.767 -0.344 13.890) 15.043 3.155 ( 4.480 1.567 5.589) 7.332 3.497 ( 1.508 -0.542 -9.959) 10.087 4.000 ( 3.300 1.286 -9.096) 9.761 4.696 ( -35.699 -0.625 2.103) 35.766 5.251 ( -59.109 -13.770 -27.327) 66.560 6.894 ( 2.755 -9.241 10.624) 14.348 6.932 ( 2.929 -0.840 1.008) 3.209 7.144 ( -6.965 -8.278 12.280) 16.366 7.521 ( -0.007 -0.365 -0.013) 0.366 7.601 ( 1.055 -0.660 -1.787) 2.177 7.692 ( 2.387 -3.148 1.749) 4.321 7.899 ( -0.976 -5.179 7.723) 9.349 7.950 ( -4.695 -4.092 4.226) 7.526 7.980 ( -5.583 -1.160 -0.519) 5.726 8.397 ( 3.181 3.844 -0.458) 5.010 8.486 ( 0.095 -1.746 3.514) 3.925 9.089 ( 1.455 5.151 -7.045) 8.847 9.198 ( 2.712 3.313 0.444) 4.304 9.439 ( 5.058 -1.690 -2.538) 5.906 9.744 ( 5.624 -1.896 10.578) 12.129 10.382 ( 2.696 0.052 -4.737) 5.451 ======================= Grid point 246 (89/171) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.000 16.558 5.181) 17.350 0.568 ( 0.000 10.109 13.591) 16.939 0.838 ( 0.000 9.196 12.128) 15.220 0.958 ( -0.000 -0.019 -0.902) 0.902 1.164 ( 0.000 0.479 7.132) 7.148 1.236 ( -0.000 -0.460 3.249) 3.282 1.245 ( -0.000 -6.834 1.505) 6.998 1.475 ( -0.000 -1.257 20.246) 20.285 1.636 ( 0.000 0.834 -3.770) 3.861 1.970 ( 0.000 4.002 -4.908) 6.333 2.193 ( 0.000 2.191 -10.230) 10.462 2.272 ( 0.000 0.057 2.251) 2.251 2.511 ( -0.000 -0.133 -3.033) 3.036 2.768 ( -0.000 -0.817 9.465) 9.500 3.135 ( 0.000 1.125 -3.533) 3.708 3.487 ( -0.000 -9.332 8.147) 12.388 3.529 ( -0.000 -4.328 -3.528) 5.584 4.068 ( 0.000 1.630 -7.024) 7.210 4.199 ( 0.000 1.741 2.188) 2.796 4.305 ( -0.000 -0.029 -0.111) 0.115 6.956 ( 0.000 0.548 0.086) 0.554 7.018 ( -0.000 -0.595 -1.236) 1.372 7.086 ( -0.000 -20.093 27.128) 33.759 7.524 ( -0.000 -0.982 -0.147) 0.993 7.615 ( -0.000 -0.964 -1.713) 1.966 7.728 ( -0.000 -1.591 4.685) 4.947 7.898 ( -0.000 -0.969 0.379) 1.040 7.923 ( -0.000 -0.212 -0.155) 0.262 7.960 ( -0.000 -12.302 7.682) 14.504 8.405 ( 0.000 4.945 -2.987) 5.777 8.509 ( -0.000 -5.372 6.817) 8.679 9.079 ( 0.000 5.884 -8.891) 10.662 9.210 ( 0.000 3.209 0.845) 3.319 9.516 ( -0.000 -3.676 -4.401) 5.734 9.836 ( -0.000 -5.446 11.635) 12.847 10.412 ( 0.000 0.164 -4.467) 4.470 ======================= Grid point 251 (90/171) ======================= q-point: ( 0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 0.865 0.000 0.350) 0.933 0.805 ( -2.550 -0.000 -0.071) 2.551 1.226 ( -0.514 -0.000 0.432) 0.672 1.274 ( -0.973 -0.000 -0.619) 1.153 1.687 ( 3.074 0.000 0.037) 3.074 1.694 ( 2.369 0.000 -0.591) 2.442 1.860 ( -6.853 -0.000 2.481) 7.288 2.049 ( -7.602 -0.000 -0.053) 7.603 2.169 ( 2.471 0.000 25.113) 25.235 2.678 ( 1.729 0.000 -0.748) 1.883 2.696 ( 2.333 0.000 -0.398) 2.367 3.092 ( 1.383 0.000 -0.203) 1.397 3.191 ( -3.986 -0.000 3.599) 5.370 3.268 ( 5.041 0.000 -3.317) 6.034 3.404 ( 0.903 0.000 -0.593) 1.080 3.839 ( 2.261 0.000 -12.173) 12.381 3.914 ( 6.502 0.000 0.500) 6.521 4.007 ( 6.589 0.000 -0.394) 6.601 6.584 ( -4.338 -0.000 2.299) 4.910 6.749 ( 4.427 0.000 1.923) 4.827 7.076 ( -0.297 -0.000 -0.290) 0.415 7.181 ( -0.817 -0.000 -2.725) 2.845 7.232 ( -1.758 -0.000 2.914) 3.403 7.428 ( 0.061 0.000 -1.263) 1.264 7.753 ( 3.454 0.000 16.376) 16.737 7.906 ( -2.690 -0.000 2.149) 3.443 8.118 ( -1.467 -0.000 -2.456) 2.861 8.278 ( 9.796 0.000 -0.971) 9.844 8.367 ( 0.369 0.000 2.623) 2.649 8.677 ( -2.450 -0.000 -6.091) 6.565 9.030 ( -0.293 -0.000 2.027) 2.048 9.060 ( -0.017 -0.000 0.223) 0.224 9.120 ( 3.472 0.000 0.740) 3.550 9.239 ( 4.174 0.000 -1.543) 4.450 9.246 ( 2.857 0.000 8.796) 9.249 10.299 ( 1.882 0.000 -8.255) 8.467 ======================= Grid point 252 (91/171) ======================= q-point: ( 0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -1.047 0.083 0.866) 1.362 0.817 ( 2.527 -0.090 -0.268) 2.543 1.218 ( -0.289 0.519 0.202) 0.627 1.241 ( -1.887 -0.442 -0.278) 1.958 1.640 ( -5.851 1.809 2.440) 6.592 1.721 ( -0.848 -1.934 -0.376) 2.145 1.847 ( 5.407 0.168 0.431) 5.427 1.958 ( -0.714 -0.004 -0.863) 1.120 2.193 ( -0.042 -0.070 26.582) 26.582 2.697 ( -0.334 -0.021 -0.574) 0.665 2.718 ( -0.235 -0.012 -0.883) 0.914 3.120 ( -3.037 -0.013 2.063) 3.672 3.130 ( 2.621 0.095 2.485) 3.613 3.322 ( -0.214 -0.005 -2.157) 2.167 3.407 ( 0.088 -0.006 -3.181) 3.182 3.848 ( -0.332 0.205 -13.539) 13.544 3.982 ( -0.490 -0.004 1.566) 1.641 4.065 ( -0.564 -0.189 -0.167) 0.618 6.490 ( -4.434 -0.045 3.220) 5.480 6.783 ( -1.143 -0.013 -0.255) 1.171 7.110 ( 2.859 -0.025 -0.583) 2.918 7.192 ( 1.958 -0.028 -1.708) 2.599 7.220 ( 0.839 0.154 3.684) 3.782 7.444 ( 1.577 -0.268 -1.693) 2.330 7.777 ( -1.093 0.095 17.228) 17.263 7.851 ( -2.740 0.382 3.795) 4.696 8.086 ( -1.190 -0.424 -2.333) 2.653 8.352 ( -0.196 0.334 1.122) 1.187 8.398 ( 0.575 0.019 -0.502) 0.764 8.631 ( -1.964 -0.146 -5.860) 6.182 9.009 ( -0.973 -0.077 2.820) 2.984 9.064 ( 0.413 0.004 0.034) 0.414 9.164 ( 0.756 -0.106 0.646) 1.000 9.286 ( 0.703 0.409 -1.221) 1.468 9.306 ( 1.947 -0.271 7.021) 7.291 10.322 ( 0.333 -0.000 -8.248) 8.255 ======================= Grid point 253 (92/171) ======================= q-point: (-0.64 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.301 -0.056 1.583) 1.612 0.870 ( 2.693 0.507 -0.859) 2.872 1.204 ( -0.592 0.324 0.332) 0.752 1.228 ( -0.124 -1.046 -0.397) 1.126 1.509 ( -7.121 -0.716 3.454) 7.946 1.683 ( -3.480 -0.624 -1.025) 3.681 1.990 ( 8.190 1.092 0.505) 8.278 2.031 ( 7.423 -0.253 0.513) 7.445 2.169 ( -2.332 -0.329 25.105) 25.216 2.664 ( -2.410 0.181 -0.884) 2.573 2.689 ( -2.668 -0.476 -0.634) 2.783 3.078 ( -1.370 -0.064 -0.384) 1.424 3.191 ( 3.483 0.057 4.015) 5.315 3.265 ( -4.907 -0.072 -3.706) 6.150 3.404 ( -1.051 0.006 -0.437) 1.138 3.826 ( -2.713 0.223 -11.901) 12.209 3.896 ( -7.275 -0.074 0.381) 7.286 3.993 ( -6.879 -0.573 -0.710) 6.939 6.436 ( -1.129 -1.460 3.234) 3.724 6.718 ( -5.113 -0.330 0.082) 5.125 7.160 ( 2.220 0.290 -0.214) 2.249 7.238 ( 2.417 0.939 -1.162) 2.842 7.266 ( 3.687 0.992 3.102) 4.919 7.488 ( 2.369 -0.113 -2.122) 3.182 7.733 ( -2.465 -0.358 14.217) 14.434 7.786 ( -3.951 -0.325 5.781) 7.009 8.088 ( 1.029 -0.936 -3.250) 3.535 8.271 ( -9.605 0.092 -1.666) 9.749 8.384 ( -0.228 0.530 2.796) 2.855 8.598 ( -2.204 -1.014 -2.522) 3.499 8.996 ( -0.976 -0.242 0.434) 1.095 9.074 ( 0.580 0.143 -0.292) 0.665 9.155 ( -1.570 0.188 0.219) 1.596 9.264 ( -2.561 0.339 -1.468) 2.971 9.309 ( -1.280 0.468 8.149) 8.263 10.309 ( -1.545 0.106 -8.214) 8.359 ======================= Grid point 254 (93/171) ======================= q-point: (-0.57 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 1.087 -0.008 1.681) 2.002 0.910 ( 1.633 0.649 -1.184) 2.119 1.196 ( -0.460 -0.877 0.381) 1.061 1.230 ( -0.646 -0.328 -0.707) 1.012 1.371 ( -7.569 -3.763 3.442) 9.127 1.596 ( -5.569 -0.275 -1.768) 5.850 2.061 ( -2.889 1.898 18.181) 18.507 2.124 ( -0.251 -0.440 8.571) 8.586 2.221 ( 9.260 -0.087 -1.148) 9.332 2.612 ( -3.264 0.173 1.102) 3.449 2.669 ( 2.321 -0.648 -2.122) 3.211 3.058 ( -0.836 -0.116 -2.717) 2.845 3.145 ( -7.097 0.076 -3.967) 8.131 3.261 ( 3.517 -0.136 3.760) 5.150 3.352 ( -4.450 -0.021 3.740) 5.814 3.621 ( -16.387 -0.356 0.550) 16.400 3.788 ( -11.213 0.571 -2.351) 11.471 3.844 ( -2.527 -0.881 -10.460) 10.797 6.463 ( 2.483 -2.817 2.289) 4.398 6.605 ( -6.241 -0.524 2.434) 6.719 7.198 ( 1.461 0.106 0.219) 1.481 7.267 ( 1.029 1.500 -1.564) 2.399 7.329 ( 3.287 2.198 2.384) 4.617 7.507 ( -1.023 0.578 -1.558) 1.951 7.663 ( -5.404 0.054 9.725) 11.126 7.768 ( 2.733 -3.143 5.059) 6.553 7.957 ( -20.011 0.125 -1.554) 20.072 8.155 ( 3.310 -0.376 -3.148) 4.584 8.376 ( -0.743 0.555 3.183) 3.315 8.534 ( -5.598 -2.613 3.610) 7.155 8.925 ( -8.172 -0.042 -3.612) 8.934 9.084 ( 0.527 0.329 -0.847) 1.051 9.116 ( -0.803 0.614 0.639) 1.196 9.196 ( -3.667 0.393 -1.391) 3.942 9.300 ( 1.757 0.576 8.932) 9.121 10.271 ( -1.945 0.172 -8.105) 8.336 ======================= Grid point 255 (94/171) ======================= q-point: (-0.50 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 1.152 0.180 1.337) 1.774 0.932 ( 0.937 -0.246 -1.233) 1.568 1.142 ( -7.737 -0.295 2.853) 8.252 1.200 ( -0.245 -0.838 -0.149) 0.886 1.304 ( -1.834 -5.067 -0.536) 5.416 1.473 ( -7.095 -0.452 -2.113) 7.417 1.939 ( -7.929 0.320 23.027) 24.356 2.058 ( -5.965 0.737 2.332) 6.447 2.347 ( 1.989 0.177 -3.518) 4.045 2.566 ( -0.935 -0.185 5.090) 5.178 2.747 ( 3.234 0.884 -3.352) 4.742 2.993 ( -7.979 0.493 -2.190) 8.289 3.049 ( 0.040 -0.038 -3.672) 3.672 3.226 ( -9.164 0.126 7.630) 11.925 3.244 ( -20.836 -0.600 2.615) 21.008 3.330 ( 3.198 -0.225 0.734) 3.289 3.486 ( -17.477 0.379 -1.332) 17.532 3.842 ( 1.076 -0.132 -11.652) 11.703 6.484 ( -5.683 -0.335 4.021) 6.970 6.552 ( 3.875 -3.097 0.536) 4.989 7.134 ( -15.005 -0.565 0.957) 15.046 7.248 ( -3.430 0.796 -1.985) 4.043 7.364 ( -0.779 1.806 1.170) 2.289 7.428 ( -4.870 -1.149 -0.132) 5.005 7.546 ( -13.575 0.162 0.991) 13.612 7.583 ( -2.372 0.329 2.800) 3.685 7.880 ( 5.764 -3.722 3.505) 7.705 8.198 ( -1.162 2.271 0.140) 2.555 8.350 ( -1.696 0.317 2.233) 2.822 8.422 ( -5.725 -5.048 8.279) 11.260 8.684 ( -14.634 -0.252 -2.609) 14.867 9.093 ( 0.632 0.403 -1.221) 1.433 9.130 ( 0.277 1.585 -2.112) 2.656 9.151 ( 1.848 0.464 -1.408) 2.369 9.368 ( 4.960 0.084 8.388) 9.745 10.246 ( -0.290 0.112 -7.660) 7.666 ======================= Grid point 256 (95/171) ======================= q-point: (-0.43 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.248 0.293 0.907) 0.985 0.954 ( 0.142 -1.566 -0.983) 1.854 0.974 ( -7.384 1.372 4.454) 8.732 1.207 ( 0.239 -1.151 -0.636) 1.337 1.287 ( -3.590 -1.840 -2.472) 4.731 1.335 ( -6.196 -1.385 -1.631) 6.555 1.758 ( -10.422 -0.318 22.368) 24.679 1.923 ( -6.917 -0.584 1.683) 7.142 2.311 ( -4.439 -0.058 -2.249) 4.977 2.507 ( -7.623 2.232 3.654) 8.743 2.695 ( -13.222 0.899 -4.820) 14.102 2.810 ( -12.797 0.275 2.395) 13.022 2.859 ( -8.190 0.132 3.436) 8.883 2.974 ( -16.814 0.948 1.366) 16.896 3.085 ( 2.018 0.875 -2.922) 3.657 3.195 ( -9.318 -0.008 9.145) 13.056 3.395 ( 2.965 -0.360 -3.262) 4.423 3.883 ( 3.063 0.336 -10.929) 11.355 6.352 ( -10.612 -0.356 0.727) 10.643 6.429 ( -35.818 -1.262 -2.285) 35.913 6.736 ( -0.496 -1.695 4.242) 4.595 7.051 ( -17.578 -4.175 -4.690) 18.666 7.265 ( -4.360 -1.882 3.631) 5.978 7.462 ( 3.824 -1.405 -1.783) 4.447 7.492 ( 1.979 -0.519 1.260) 2.403 7.563 ( -0.239 0.459 1.147) 1.258 7.971 ( -1.367 -3.659 4.694) 6.107 8.102 ( -3.594 1.253 7.425) 8.344 8.246 ( -7.762 -2.829 6.933) 10.785 8.426 ( -8.485 1.127 -1.218) 8.646 8.441 ( 1.463 -1.491 -0.139) 2.093 9.106 ( 0.787 0.599 -1.681) 1.951 9.137 ( 2.713 3.359 -2.218) 4.854 9.228 ( 4.885 0.142 -3.065) 5.768 9.480 ( 6.176 -0.446 8.383) 10.422 10.263 ( 2.068 0.000 -6.750) 7.059 ======================= Grid point 257 (96/171) ======================= q-point: (-0.36 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -4.108 3.649 2.447) 6.015 0.847 ( -1.554 5.271 4.340) 7.003 0.998 ( 1.787 -4.108 -0.439) 4.501 1.157 ( -7.724 -0.486 -1.460) 7.876 1.205 ( -1.797 0.530 -0.806) 2.039 1.266 ( -2.670 0.489 -1.153) 2.949 1.552 ( -10.191 -1.042 20.404) 22.831 1.813 ( -6.413 -3.082 1.495) 7.270 2.124 ( -16.131 5.066 11.623) 20.517 2.229 ( -19.218 1.274 -2.729) 19.453 2.328 ( -11.320 0.051 -8.036) 13.882 2.605 ( -13.728 0.231 0.102) 13.730 2.673 ( -6.853 0.356 -2.438) 7.283 2.797 ( -2.921 0.357 6.250) 6.908 3.070 ( -1.847 0.683 15.002) 15.131 3.139 ( 1.638 1.230 -0.000) 2.048 3.450 ( 2.391 -0.463 -7.375) 7.767 3.950 ( 3.865 1.063 -10.115) 10.880 5.536 ( -47.940 -0.891 1.909) 47.986 5.984 ( -34.152 -6.754 -16.477) 38.516 6.787 ( -8.400 -8.778 9.048) 15.149 6.834 ( 5.349 -1.237 1.121) 5.604 7.190 ( -4.946 -2.353 5.996) 8.121 7.522 ( 0.477 0.382 0.182) 0.638 7.545 ( 2.710 -2.740 -1.857) 4.278 7.582 ( 2.190 -2.143 0.207) 3.071 7.894 ( -4.506 -2.273 14.100) 14.976 8.028 ( -5.975 -1.459 0.295) 6.158 8.100 ( -8.377 -2.329 2.704) 9.105 8.366 ( 3.183 2.362 2.545) 4.710 8.477 ( 0.694 -0.111 -0.663) 0.966 9.116 ( 0.884 1.511 -2.810) 3.310 9.189 ( 4.121 4.324 -2.723) 6.565 9.327 ( 4.953 -0.425 -2.813) 5.712 9.608 ( 6.296 -0.896 8.697) 10.774 10.319 ( 3.327 -0.104 -5.589) 6.505 ======================= Grid point 258 (97/171) ======================= q-point: (-0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.391 11.927 5.154) 12.999 0.796 ( -1.769 5.831 6.317) 8.777 1.015 ( -4.986 -0.032 -0.448) 5.006 1.076 ( 0.899 -5.188 -3.471) 6.306 1.113 ( -3.747 5.150 3.436) 7.237 1.215 ( -2.743 1.621 2.442) 4.014 1.400 ( -8.138 -2.188 9.122) 12.419 1.535 ( -15.812 2.975 18.676) 24.650 1.840 ( -16.892 0.323 -2.400) 17.065 1.959 ( 2.236 1.203 1.776) 3.099 2.226 ( -1.966 0.863 -10.548) 10.765 2.372 ( -9.228 0.176 0.952) 9.279 2.559 ( -4.616 0.052 -3.010) 5.511 2.761 ( -0.874 -0.279 9.767) 9.810 3.094 ( 5.123 -0.296 17.052) 17.807 3.170 ( 3.045 1.278 2.078) 3.902 3.491 ( 1.471 -0.574 -9.975) 10.099 4.015 ( 3.406 1.548 -8.953) 9.703 4.690 ( -35.386 -0.644 1.888) 35.442 5.110 ( -57.977 -13.088 -18.322) 62.195 6.789 ( 2.171 -9.469 20.140) 22.361 6.930 ( 3.589 0.030 0.119) 3.591 7.092 ( -6.201 -2.892 6.274) 9.284 7.521 ( -0.112 0.200 -0.008) 0.229 7.590 ( 0.879 -1.805 -2.140) 2.934 7.647 ( 1.909 -5.049 -0.363) 5.410 7.852 ( -1.444 -3.259 14.080) 14.524 7.926 ( -4.326 -1.483 1.274) 4.747 7.969 ( -5.288 -1.033 -0.043) 5.388 8.431 ( 3.406 2.767 2.148) 4.886 8.474 ( -0.747 -0.653 -0.158) 1.005 9.124 ( 0.746 2.072 -3.833) 4.421 9.239 ( 2.866 4.221 -3.401) 6.132 9.421 ( 3.914 -1.679 -2.411) 4.894 9.726 ( 4.804 -1.604 9.481) 10.749 10.381 ( 2.599 -0.220 -4.539) 5.235 ======================= Grid point 259 (98/171) ======================= q-point: (-0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.000 11.025 9.892) 14.812 0.701 ( 0.000 11.624 4.855) 12.597 0.958 ( 0.000 13.315 4.380) 14.017 0.958 ( 0.000 0.015 -0.550) 0.550 1.160 ( -0.000 -5.387 -2.911) 6.123 1.186 ( 0.000 0.043 12.867) 12.867 1.229 ( -0.000 -0.929 3.626) 3.743 1.457 ( -0.000 -2.105 21.213) 21.317 1.645 ( 0.000 1.032 -3.701) 3.842 2.003 ( 0.000 2.188 -5.963) 6.352 2.214 ( 0.000 1.761 -11.994) 12.122 2.272 ( 0.000 0.071 2.218) 2.219 2.509 ( -0.000 -0.169 -3.013) 3.018 2.759 ( -0.000 -0.831 10.450) 10.483 3.147 ( 0.000 1.012 -2.275) 2.490 3.372 ( -0.000 -10.539 19.164) 21.871 3.512 ( -0.000 -0.892 -10.593) 10.630 4.081 ( 0.000 0.952 -6.917) 6.982 4.220 ( 0.000 2.180 1.916) 2.902 4.305 ( -0.000 -0.032 0.063) 0.071 6.905 ( -0.000 -14.546 31.363) 34.572 6.963 ( 0.000 0.718 -0.082) 0.723 7.011 ( -0.000 -0.742 -1.111) 1.336 7.519 ( -0.000 -0.112 -0.220) 0.247 7.605 ( -0.000 -1.219 -2.388) 2.681 7.694 ( -0.000 -5.024 1.178) 5.160 7.864 ( -0.000 -6.274 12.821) 14.274 7.887 ( -0.000 -1.027 0.419) 1.109 7.919 ( -0.000 -0.480 -0.266) 0.548 8.449 ( 0.000 3.617 -0.631) 3.672 8.472 ( -0.000 -2.205 3.013) 3.734 9.121 ( 0.000 2.592 -5.158) 5.773 9.248 ( 0.000 3.919 -3.119) 5.009 9.480 ( -0.000 -3.306 -3.081) 4.519 9.793 ( -0.000 -3.156 10.429) 10.897 10.411 ( -0.000 -0.284 -4.135) 4.144 ======================= Grid point 266 (99/171) ======================= q-point: (-0.71 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.296 0.000 1.629) 1.656 0.873 ( 2.769 0.000 -0.878) 2.905 1.207 ( -1.199 -0.000 0.283) 1.232 1.221 ( 0.275 0.000 -0.332) 0.431 1.505 ( -7.709 -0.000 3.506) 8.469 1.680 ( -3.213 -0.000 -1.015) 3.370 1.996 ( 8.541 0.000 0.151) 8.542 2.029 ( 7.349 0.000 0.670) 7.379 2.167 ( -2.482 -0.000 25.315) 25.436 2.665 ( -2.191 -0.000 -0.980) 2.400 2.686 ( -2.952 -0.000 -0.532) 2.999 3.077 ( -1.374 -0.000 -0.409) 1.434 3.192 ( 3.461 0.000 4.044) 5.323 3.265 ( -4.920 -0.000 -3.750) 6.186 3.404 ( -1.054 -0.000 -0.431) 1.139 3.827 ( -2.822 -0.000 -11.955) 12.283 3.895 ( -7.167 -0.000 0.182) 7.170 3.989 ( -6.954 -0.000 -0.465) 6.969 6.429 ( -1.389 -0.000 3.281) 3.563 6.716 ( -5.151 -0.000 -0.018) 5.151 7.161 ( 2.165 0.000 -0.128) 2.169 7.243 ( 2.635 0.000 -1.408) 2.987 7.272 ( 3.959 0.000 3.292) 5.148 7.487 ( 2.479 0.000 -1.917) 3.134 7.731 ( -2.633 -0.000 13.886) 14.133 7.785 ( -4.246 -0.000 6.008) 7.357 8.083 ( 1.070 0.000 -3.252) 3.423 8.271 ( -9.662 -0.000 -1.700) 9.810 8.387 ( -0.200 -0.000 2.717) 2.725 8.592 ( -2.410 -0.000 -2.292) 3.326 8.995 ( -0.943 -0.000 0.346) 1.005 9.075 ( 0.610 0.000 -0.317) 0.687 9.156 ( -1.461 -0.000 0.211) 1.476 9.266 ( -2.626 -0.000 -1.652) 3.103 9.311 ( -1.187 -0.000 8.293) 8.377 10.310 ( -1.527 -0.000 -8.212) 8.353 ======================= Grid point 268 (100/171) ======================= q-point: (-0.64 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 1.131 -0.004 1.751) 2.084 0.914 ( 1.441 0.230 -1.209) 1.895 1.190 ( -0.756 -0.369 0.573) 1.018 1.228 ( 0.244 -0.040 -0.946) 0.978 1.344 ( -8.751 -1.382 3.985) 9.715 1.594 ( -5.527 -0.106 -1.917) 5.851 2.077 ( -4.720 0.984 23.890) 24.371 2.118 ( 1.536 -0.473 2.739) 3.176 2.220 ( 9.406 -0.034 -0.988) 9.458 2.613 ( -3.837 0.108 1.219) 4.028 2.664 ( 3.041 -0.295 -2.282) 3.813 3.058 ( -0.842 -0.037 -2.717) 2.845 3.145 ( -7.027 0.028 -4.000) 8.085 3.260 ( 3.489 -0.051 3.795) 5.156 3.351 ( -4.457 -0.006 3.715) 5.802 3.618 ( -16.438 -0.127 0.592) 16.449 3.793 ( -12.601 0.366 -1.530) 12.699 3.836 ( -0.975 -0.471 -11.354) 11.406 6.443 ( 2.474 -1.009 2.462) 3.633 6.601 ( -6.235 -0.188 2.220) 6.621 7.198 ( 1.344 0.015 0.487) 1.429 7.277 ( 0.667 0.438 -1.485) 1.686 7.348 ( 3.622 1.141 2.062) 4.321 7.510 ( -1.204 0.021 -1.571) 1.980 7.663 ( -5.464 0.013 9.546) 10.999 7.746 ( 2.396 -1.147 5.606) 6.203 7.958 ( -19.908 0.038 -1.632) 19.975 8.153 ( 3.959 -0.111 -3.390) 5.213 8.380 ( -0.855 0.228 2.973) 3.102 8.515 ( -6.102 -0.962 4.399) 7.584 8.925 ( -8.096 0.003 -3.943) 9.005 9.086 ( 0.545 0.116 -0.861) 1.026 9.120 ( -0.780 0.211 0.663) 1.045 9.199 ( -3.597 0.115 -1.416) 3.868 9.304 ( 1.563 0.195 8.922) 9.060 10.272 ( -1.962 0.061 -8.103) 8.337 ======================= Grid point 269 (101/171) ======================= q-point: (-0.57 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 1.153 0.028 1.155) 1.633 0.930 ( 0.347 -0.157 -1.226) 1.284 1.143 ( -6.995 0.308 3.788) 7.960 1.195 ( -1.055 0.018 0.128) 1.063 1.257 ( -0.743 -3.737 -0.982) 3.934 1.469 ( -7.247 -0.287 -2.419) 7.645 1.942 ( -8.325 0.228 23.426) 24.862 2.064 ( -6.088 0.362 1.842) 6.371 2.348 ( 1.862 0.093 -3.440) 3.912 2.564 ( -0.545 -0.142 5.272) 5.302 2.754 ( 3.673 0.483 -3.415) 5.038 2.997 ( -7.764 0.289 -2.184) 8.070 3.048 ( 0.220 -0.022 -3.661) 3.668 3.227 ( -8.797 0.099 7.757) 11.729 3.238 ( -21.095 -0.381 2.536) 21.250 3.329 ( 3.193 -0.126 0.733) 3.278 3.490 ( -17.404 0.253 -1.470) 17.468 3.841 ( 1.229 -0.074 -11.623) 11.688 6.482 ( -5.648 -0.071 3.910) 6.870 6.526 ( 4.339 -1.891 0.708) 4.786 7.129 ( -15.256 -0.298 1.161) 15.303 7.255 ( -3.531 0.426 -1.871) 4.019 7.382 ( -4.585 1.703 0.775) 4.952 7.416 ( -3.243 -1.099 0.114) 3.426 7.548 ( -14.289 0.104 0.894) 14.318 7.585 ( -1.891 0.053 2.593) 3.210 7.849 ( 5.940 -2.218 4.259) 7.638 8.224 ( 0.457 2.477 -1.556) 2.961 8.352 ( -2.980 0.059 3.496) 4.594 8.375 ( -5.664 -3.730 9.454) 11.635 8.683 ( -14.584 -0.046 -3.118) 14.914 9.096 ( 0.617 0.223 -1.357) 1.507 9.143 ( 1.120 1.022 -1.926) 2.452 9.154 ( 1.350 -0.019 -1.432) 1.968 9.369 ( 4.720 0.025 8.342) 9.585 10.246 ( -0.342 0.062 -7.654) 7.662 ======================= Grid point 270 (102/171) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.296 0.063 0.131) 0.329 0.936 ( 0.015 -1.507 -1.045) 1.834 1.000 ( -5.478 2.963 4.804) 7.866 1.197 ( 0.394 -0.765 -0.426) 0.960 1.264 ( -1.295 -2.447 -2.643) 3.828 1.322 ( -7.321 -1.047 -1.863) 7.626 1.755 ( -10.622 -0.225 22.322) 24.722 1.918 ( -8.040 -0.401 1.817) 8.253 2.310 ( -4.287 -0.156 -2.168) 4.807 2.527 ( -6.088 1.515 3.748) 7.308 2.702 ( -14.587 0.499 -4.232) 15.197 2.814 ( -12.797 0.398 1.994) 12.957 2.860 ( -7.165 0.022 3.449) 7.952 2.982 ( -16.826 0.721 1.551) 16.913 3.093 ( 2.708 0.679 -3.144) 4.204 3.195 ( -9.620 0.000 9.076) 13.225 3.391 ( 2.950 -0.260 -3.269) 4.411 3.886 ( 3.337 0.239 -10.814) 11.319 6.349 ( -10.481 -0.192 0.322) 10.488 6.418 ( -35.660 -0.941 -2.478) 35.758 6.721 ( -0.819 -1.274 4.661) 4.901 7.011 ( -21.175 -3.278 -2.893) 21.622 7.252 ( -4.022 -0.676 3.024) 5.077 7.449 ( 2.642 -1.062 -1.633) 3.283 7.488 ( 2.046 -0.259 1.261) 2.417 7.566 ( -0.548 0.248 0.990) 1.158 7.940 ( -0.227 -2.415 5.352) 5.876 8.120 ( -5.186 2.269 8.954) 10.593 8.214 ( -8.124 -3.291 8.162) 11.977 8.429 ( 3.639 -0.684 -1.713) 4.080 8.437 ( -8.573 0.750 -1.584) 8.750 9.110 ( 0.914 0.319 -1.590) 1.861 9.166 ( 3.290 2.246 -2.451) 4.677 9.229 ( 4.587 -0.066 -3.065) 5.518 9.476 ( 5.967 -0.337 8.287) 10.217 10.263 ( 2.008 -0.011 -6.717) 7.010 ======================= Grid point 271 (103/171) ======================= q-point: (-0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.100 2.868 -0.178) 2.875 0.908 ( -1.345 6.212 3.976) 7.497 0.958 ( 0.869 -3.144 0.203) 3.268 1.153 ( -7.706 -0.382 -1.580) 7.876 1.208 ( -0.084 0.126 -0.737) 0.753 1.265 ( -1.796 -0.632 -1.037) 2.168 1.542 ( -10.875 -0.845 20.488) 23.211 1.782 ( -6.668 -2.841 1.889) 7.490 2.166 ( -13.010 3.003 10.026) 16.698 2.245 ( -21.619 1.638 -0.642) 21.691 2.329 ( -11.107 0.214 -8.579) 14.036 2.609 ( -14.091 0.558 -0.103) 14.102 2.675 ( -6.874 0.105 -2.549) 7.332 2.801 ( -3.056 0.325 6.591) 7.272 3.077 ( -2.038 0.680 16.491) 16.631 3.149 ( 2.007 0.788 -1.541) 2.650 3.445 ( 2.358 -0.358 -7.351) 7.728 3.960 ( 4.210 0.886 -9.937) 10.828 5.528 ( -47.937 -0.670 1.610) 47.968 5.917 ( -39.268 -5.968 -14.979) 42.449 6.711 ( -7.546 -5.755 13.129) 16.200 6.823 ( 6.102 -0.881 0.965) 6.240 7.174 ( -4.857 -0.958 4.296) 6.554 7.509 ( 1.913 -3.357 -2.590) 4.652 7.528 ( 0.870 0.484 0.612) 1.169 7.567 ( 1.165 -1.100 0.553) 1.695 7.878 ( -4.003 -0.995 15.332) 15.877 8.017 ( -6.301 -0.679 0.391) 6.349 8.077 ( -7.431 -2.102 3.524) 8.489 8.387 ( 3.090 1.630 3.353) 4.843 8.476 ( 0.804 -0.036 -2.023) 2.177 9.126 ( 0.922 0.604 -1.859) 2.161 9.231 ( 4.269 3.632 -3.932) 6.847 9.322 ( 4.518 -0.667 -2.867) 5.392 9.599 ( 6.111 -0.743 8.439) 10.446 10.318 ( 3.246 -0.138 -5.522) 6.407 ======================= Grid point 272 (104/171) ======================= q-point: (-0.36 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 1.961 9.155 1.482) 9.479 0.858 ( -0.879 6.664 5.278) 8.547 1.005 ( 0.178 -4.086 0.583) 4.131 1.022 ( -4.135 -1.991 -1.338) 4.780 1.164 ( -2.505 3.924 3.438) 5.787 1.233 ( -1.971 1.597 0.613) 2.610 1.373 ( -6.903 -3.069 12.210) 14.358 1.575 ( -14.545 4.564 12.245) 19.553 1.844 ( -16.687 0.540 -2.093) 16.826 1.966 ( 0.049 0.108 4.575) 4.577 2.231 ( -1.712 0.116 -11.239) 11.370 2.375 ( -9.190 0.287 0.578) 9.213 2.559 ( -4.786 -0.023 -3.018) 5.658 2.759 ( -1.172 0.015 10.296) 10.363 3.092 ( 4.065 -0.248 19.475) 19.896 3.181 ( 2.050 0.817 -0.646) 2.299 3.485 ( 1.428 -0.489 -9.954) 10.067 4.031 ( 3.506 1.491 -8.869) 9.653 4.683 ( -35.079 -0.535 1.703) 35.125 4.992 ( -54.797 -9.772 -11.646) 56.867 6.710 ( 2.135 -5.917 21.340) 22.248 6.930 ( 4.169 0.083 -0.036) 4.169 7.072 ( -5.734 -1.267 3.582) 6.878 7.524 ( -0.225 0.420 0.092) 0.485 7.554 ( 0.298 -5.080 -2.877) 5.846 7.608 ( 1.496 -2.163 -0.212) 2.639 7.831 ( -1.376 -0.973 16.465) 16.551 7.913 ( -4.066 -1.045 0.807) 4.275 7.959 ( -4.865 -0.978 0.182) 4.966 8.454 ( 2.983 1.684 4.953) 6.022 8.471 ( -0.621 -0.051 -3.125) 3.186 9.138 ( 0.639 0.925 -2.157) 2.432 9.280 ( 2.557 3.825 -4.875) 6.704 9.404 ( 3.109 -1.617 -2.432) 4.265 9.711 ( 4.414 -1.255 8.732) 9.865 10.378 ( 2.477 -0.328 -4.464) 5.115 ======================= Grid point 273 (105/171) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.000 10.262 6.808) 12.315 0.797 ( 0.000 7.462 5.034) 9.001 0.958 ( 0.000 0.085 -0.177) 0.196 1.051 ( -0.000 -1.721 -4.808) 5.107 1.118 ( 0.000 3.470 7.597) 8.352 1.216 ( -0.000 -1.568 4.270) 4.549 1.227 ( 0.000 7.248 4.444) 8.502 1.439 ( -0.000 -0.672 23.341) 23.351 1.656 ( 0.000 1.024 -3.624) 3.766 2.011 ( -0.000 -0.656 -4.892) 4.936 2.227 ( 0.000 0.645 -12.935) 12.951 2.273 ( 0.000 0.070 2.182) 2.183 2.508 ( -0.000 -0.173 -2.992) 2.997 2.752 ( -0.000 -0.526 11.258) 11.270 3.154 ( 0.000 0.398 1.186) 1.251 3.282 ( -0.000 -7.061 18.253) 19.571 3.504 ( -0.000 -0.716 -10.830) 10.854 4.088 ( 0.000 0.598 -7.084) 7.109 4.243 ( 0.000 2.190 1.611) 2.719 4.305 ( -0.000 -0.029 0.255) 0.257 6.788 ( -0.000 -8.555 29.055) 30.289 6.970 ( 0.000 0.760 -0.273) 0.807 7.003 ( -0.000 -0.742 -0.968) 1.219 7.520 ( 0.000 0.242 -0.083) 0.255 7.580 ( -0.000 -4.359 -2.987) 5.284 7.640 ( -0.000 -4.206 -0.488) 4.234 7.826 ( -0.000 -1.748 16.344) 16.438 7.877 ( -0.000 -0.921 0.429) 1.015 7.913 ( -0.000 -0.627 -0.352) 0.718 8.456 ( -0.000 -0.912 2.242) 2.420 8.481 ( 0.000 2.460 -0.328) 2.481 9.139 ( 0.000 1.260 -2.715) 2.993 9.287 ( 0.000 3.698 -4.985) 6.207 9.449 ( -0.000 -2.659 -2.516) 3.661 9.767 ( -0.000 -1.980 9.223) 9.433 10.407 ( -0.000 -0.458 -4.013) 4.039 ======================= Grid point 282 (106/171) ======================= q-point: (-0.64 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 1.134 0.000 1.077) 1.564 0.929 ( 0.130 0.000 -1.228) 1.235 1.145 ( -6.360 -0.000 4.230) 7.638 1.198 ( -2.315 -0.000 0.828) 2.458 1.235 ( 0.295 0.000 -1.836) 1.859 1.467 ( -7.303 -0.000 -2.524) 7.727 1.944 ( -8.475 -0.000 23.581) 25.058 2.066 ( -6.118 -0.000 1.654) 6.338 2.349 ( 1.807 0.000 -3.410) 3.859 2.563 ( -0.403 -0.000 5.335) 5.351 2.756 ( 3.835 0.000 -3.439) 5.151 2.999 ( -7.680 -0.000 -2.183) 7.984 3.048 ( 0.285 0.000 -3.659) 3.670 3.228 ( -8.296 -0.000 7.990) 11.518 3.236 ( -21.568 -0.000 2.324) 21.692 3.328 ( 3.193 0.000 0.732) 3.276 3.491 ( -17.376 -0.000 -1.522) 17.443 3.841 ( 1.287 0.000 -11.613) 11.684 6.482 ( -5.851 -0.000 3.954) 7.062 6.515 ( 4.718 0.000 0.688) 4.768 7.127 ( -15.344 -0.000 1.231) 15.393 7.257 ( -3.543 -0.000 -1.822) 3.984 7.394 ( -10.769 -0.000 0.479) 10.780 7.408 ( 2.112 0.000 0.326) 2.137 7.548 ( -14.561 -0.000 0.861) 14.586 7.585 ( -1.701 -0.000 2.502) 3.026 7.837 ( 6.025 0.000 4.583) 7.569 8.239 ( 1.996 0.000 -3.710) 4.212 8.349 ( -10.203 -0.000 13.846) 17.200 8.358 ( 0.165 0.000 1.466) 1.475 8.682 ( -14.559 -0.000 -3.271) 14.922 9.097 ( 0.613 0.000 -1.399) 1.528 9.150 ( 3.227 0.000 -1.964) 3.778 9.152 ( -0.638 -0.000 -1.337) 1.481 9.369 ( 4.636 0.000 8.328) 9.532 10.247 ( -0.360 -0.000 -7.652) 7.661 ======================= Grid point 284 (107/171) ======================= q-point: (-0.57 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.514 0.024 -0.344) 0.619 0.925 ( -0.494 -0.566 -1.033) 1.278 1.026 ( -3.854 1.611 4.911) 6.448 1.191 ( 0.460 -0.262 -0.309) 0.613 1.242 ( -0.185 -1.384 -2.676) 3.018 1.315 ( -7.940 -0.353 -2.063) 8.211 1.753 ( -10.759 -0.081 22.305) 24.764 1.915 ( -8.663 -0.141 1.882) 8.866 2.309 ( -4.244 -0.080 -2.038) 4.709 2.537 ( -5.178 0.539 3.701) 6.388 2.706 ( -15.481 0.149 -3.823) 15.946 2.817 ( -12.776 0.183 1.718) 12.893 2.860 ( -6.481 -0.005 3.444) 7.339 2.988 ( -16.827 0.270 1.689) 16.914 3.098 ( 3.199 0.257 -3.302) 4.605 3.195 ( -9.924 0.003 9.044) 13.426 3.390 ( 2.951 -0.095 -3.278) 4.412 3.888 ( 3.490 0.086 -10.753) 11.305 6.348 ( -10.266 -0.058 0.061) 10.266 6.411 ( -35.708 -0.348 -2.551) 35.801 6.711 ( -1.032 -0.477 4.904) 5.034 6.987 ( -22.915 -1.208 -1.823) 23.019 7.248 ( -3.890 -0.157 2.603) 4.684 7.442 ( 1.885 -0.384 -1.556) 2.474 7.487 ( 2.029 -0.077 1.276) 2.398 7.568 ( -0.635 0.072 0.876) 1.084 7.923 ( 0.460 -0.842 5.680) 5.761 8.147 ( -6.556 2.941 10.474) 12.701 8.180 ( -7.629 -3.294 7.968) 11.512 8.425 ( 4.122 -0.197 -2.749) 4.959 8.442 ( -8.143 0.268 -1.439) 8.273 9.113 ( 0.937 0.111 -1.667) 1.915 9.182 ( 3.702 0.825 -2.228) 4.399 9.228 ( 4.355 -0.097 -3.238) 5.427 9.474 ( 5.852 -0.126 8.234) 10.103 10.263 ( 1.971 -0.006 -6.703) 6.987 ======================= Grid point 285 (108/171) ======================= q-point: (-0.50 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 1.791 1.436 -1.387) 2.682 0.923 ( -0.307 -1.846 -0.295) 1.894 0.978 ( 0.123 4.954 3.575) 6.110 1.150 ( -7.670 -0.232 -1.623) 7.843 1.209 ( 0.940 0.033 -0.572) 1.101 1.254 ( -0.757 -1.273 -1.034) 1.806 1.535 ( -11.352 -0.496 20.969) 23.850 1.757 ( -7.152 -1.745 2.153) 7.670 2.188 ( -10.443 1.354 8.689) 13.652 2.257 ( -23.111 0.596 0.040) 23.119 2.333 ( -11.412 0.631 -7.932) 13.912 2.615 ( -14.704 0.513 -0.306) 14.716 2.675 ( -6.666 -0.067 -2.610) 7.159 2.804 ( -3.077 0.194 6.834) 7.497 3.083 ( -2.241 0.425 17.817) 17.963 3.155 ( 2.254 0.363 -2.923) 3.709 3.443 ( 2.343 -0.193 -7.323) 7.691 3.968 ( 4.467 0.505 -9.825) 10.805 5.522 ( -47.940 -0.356 1.407) 47.962 5.868 ( -42.378 -3.426 -13.486) 44.603 6.668 ( -6.472 -2.664 14.500) 16.100 6.816 ( 6.515 -0.503 1.001) 6.611 7.168 ( -4.874 -0.351 3.372) 5.937 7.480 ( 1.087 -2.083 -2.512) 3.439 7.534 ( 1.677 0.598 0.615) 1.883 7.557 ( 0.182 -0.799 0.629) 1.033 7.871 ( -3.539 -0.360 15.787) 16.183 8.013 ( -6.960 -0.105 0.421) 6.973 8.059 ( -6.454 -1.367 4.306) 7.878 8.399 ( 2.999 0.827 3.951) 5.028 8.476 ( 0.863 -0.007 -2.806) 2.935 9.131 ( 0.954 0.264 -1.749) 2.009 9.262 ( 4.507 2.359 -3.810) 6.356 9.314 ( 4.065 -0.840 -3.138) 5.203 9.593 ( 5.993 -0.426 8.274) 10.225 10.317 ( 3.177 -0.093 -5.500) 6.352 ======================= Grid point 286 (109/171) ======================= q-point: (-0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 2.040 3.788 -0.015) 4.303 0.925 ( 0.198 3.094 1.765) 3.568 0.966 ( 0.250 0.095 1.566) 1.589 1.018 ( -5.496 -0.107 -0.309) 5.506 1.197 ( -1.439 2.874 4.384) 5.437 1.243 ( -1.425 0.251 0.722) 1.618 1.340 ( -7.635 -3.172 14.717) 16.880 1.622 ( -8.340 4.402 5.969) 11.161 1.850 ( -16.596 0.501 -1.845) 16.706 1.963 ( -4.115 -0.660 8.079) 9.090 2.230 ( -1.680 -0.301 -11.481) 11.608 2.378 ( -9.209 0.256 0.194) 9.214 2.558 ( -4.898 -0.070 -2.992) 5.740 2.761 ( -1.344 0.167 10.549) 10.636 3.089 ( 3.116 -0.153 21.316) 21.543 3.187 ( 1.409 0.386 -2.694) 3.065 3.481 ( 1.388 -0.322 -9.905) 10.007 4.044 ( 3.566 1.078 -8.852) 9.604 4.679 ( -34.835 -0.345 1.576) 34.873 4.912 ( -51.572 -5.755 -7.782) 52.472 6.665 ( 2.252 -3.043 20.368) 20.717 6.931 ( 4.643 0.071 -0.134) 4.646 7.063 ( -5.615 -0.612 2.485) 6.171 7.501 ( -0.443 -4.240 -3.167) 5.310 7.531 ( -0.325 0.521 0.556) 0.828 7.593 ( 1.511 -1.108 -0.067) 1.874 7.827 ( -1.227 -0.151 17.674) 17.717 7.904 ( -3.952 -0.681 0.595) 4.054 7.950 ( -4.522 -0.703 0.352) 4.590 8.464 ( 0.064 0.433 2.391) 2.430 8.474 ( 2.132 0.565 -0.343) 2.232 9.145 ( 0.635 0.436 -1.719) 1.884 9.316 ( 2.357 3.105 -4.765) 6.157 9.388 ( 2.584 -1.655 -2.657) 4.059 9.701 ( 4.234 -0.826 8.272) 9.329 10.375 ( 2.381 -0.272 -4.468) 5.070 ======================= Grid point 287 (110/171) ======================= q-point: (-0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 4.856 3.796) 6.164 0.885 ( 0.000 8.237 4.146) 9.221 0.960 ( 0.000 0.330 0.140) 0.359 0.992 ( -0.000 -6.227 -0.848) 6.285 1.165 ( 0.000 3.743 9.745) 10.439 1.197 ( -0.000 -2.206 5.329) 5.767 1.292 ( 0.000 2.335 -0.047) 2.336 1.476 ( 0.000 9.185 18.577) 20.724 1.666 ( 0.000 0.815 -3.554) 3.646 1.987 ( -0.000 -4.014 -2.111) 4.535 2.229 ( -0.000 -0.194 -13.135) 13.136 2.274 ( 0.000 0.056 2.149) 2.150 2.506 ( -0.000 -0.141 -2.973) 2.976 2.749 ( -0.000 -0.137 11.637) 11.638 3.154 ( -0.000 -0.497 9.999) 10.011 3.228 ( -0.000 -3.551 10.231) 10.829 3.498 ( -0.000 -0.529 -10.800) 10.813 4.094 ( 0.000 0.406 -7.417) 7.428 4.263 ( 0.000 1.763 1.335) 2.211 4.304 ( -0.000 -0.020 0.427) 0.427 6.722 ( -0.000 -4.548 25.820) 26.218 6.978 ( 0.000 0.641 -0.449) 0.783 6.996 ( -0.000 -0.595 -0.835) 1.026 7.517 ( -0.000 -3.582 -2.545) 4.394 7.529 ( -0.000 -1.887 -0.443) 1.938 7.614 ( -0.000 -1.409 -0.400) 1.464 7.817 ( -0.000 -0.293 17.804) 17.806 7.869 ( -0.000 -0.684 0.417) 0.801 7.907 ( -0.000 -0.587 -0.406) 0.714 8.450 ( -0.000 -0.337 -0.053) 0.341 8.501 ( 0.000 1.475 2.126) 2.587 9.149 ( 0.000 0.636 -1.816) 1.924 9.323 ( 0.000 3.234 -5.106) 6.044 9.425 ( -0.000 -2.222 -2.452) 3.309 9.751 ( -0.000 -1.275 8.448) 8.543 10.402 ( -0.000 -0.429 -4.023) 4.046 ======================= Grid point 298 (111/171) ======================= q-point: (-0.57 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 2.213 0.000 -1.719) 2.802 0.912 ( -0.493 -0.000 -0.284) 0.569 1.006 ( 0.479 0.000 3.014) 3.052 1.148 ( -7.670 -0.000 -1.606) 7.836 1.209 ( 1.309 0.000 -0.484) 1.396 1.246 ( -0.264 -0.000 -1.064) 1.096 1.532 ( -11.532 -0.000 21.268) 24.193 1.748 ( -7.403 -0.000 2.224) 7.730 2.195 ( -9.363 -0.000 8.459) 12.618 2.260 ( -23.565 -0.000 -0.451) 23.570 2.337 ( -11.735 -0.000 -7.205) 13.770 2.618 ( -15.063 -0.000 -0.386) 15.068 2.675 ( -6.488 -0.000 -2.630) 7.000 2.805 ( -3.069 -0.000 6.922) 7.572 3.085 ( -2.330 -0.000 18.372) 18.519 3.157 ( 2.343 0.000 -3.501) 4.212 3.442 ( 2.339 0.000 -7.311) 7.676 3.970 ( 4.562 0.000 -9.788) 10.799 5.521 ( -47.942 -0.000 1.335) 47.961 5.850 ( -43.380 -0.000 -12.896) 45.256 6.655 ( -6.071 -0.000 14.790) 15.988 6.813 ( 6.669 0.000 1.020) 6.746 7.166 ( -4.892 -0.000 3.082) 5.782 7.469 ( 0.776 0.000 -2.477) 2.595 7.538 ( 2.761 0.000 0.613) 2.828 7.552 ( -0.947 -0.000 0.665) 1.157 7.870 ( -3.354 -0.000 15.884) 16.234 8.013 ( -7.436 -0.000 0.320) 7.443 8.051 ( -5.889 -0.000 4.738) 7.558 8.404 ( 2.962 0.000 4.173) 5.118 8.476 ( 0.882 0.000 -3.066) 3.190 9.132 ( 0.961 0.000 -1.763) 2.008 9.276 ( 4.825 0.000 -3.473) 5.945 9.308 ( 3.676 0.000 -3.448) 5.040 9.591 ( 5.952 0.000 8.216) 10.146 10.316 ( 3.150 0.000 -5.496) 6.335 ======================= Grid point 300 (112/171) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 2.316 1.471 -0.877) 2.880 0.912 ( 0.292 -1.760 1.105) 2.098 1.004 ( -0.599 2.948 0.627) 3.073 1.017 ( -5.431 -0.033 -0.078) 5.432 1.222 ( -1.319 1.686 4.133) 4.654 1.240 ( 0.257 -0.424 0.835) 0.971 1.313 ( -9.884 -1.739 17.546) 20.213 1.657 ( -2.089 1.881 1.708) 3.289 1.854 ( -16.514 0.212 -1.698) 16.603 1.956 ( -8.326 -0.464 10.911) 13.733 2.227 ( -1.732 -0.186 -11.504) 11.635 2.380 ( -9.241 0.100 -0.027) 9.241 2.558 ( -4.945 -0.038 -2.963) 5.765 2.762 ( -1.409 0.091 10.624) 10.717 3.088 ( 2.586 -0.048 22.380) 22.529 3.189 ( 1.089 0.101 -3.862) 4.014 3.479 ( 1.363 -0.112 -9.865) 9.959 4.052 ( 3.587 0.392 -8.863) 9.569 4.676 ( -34.699 -0.118 1.515) 34.733 4.873 ( -49.672 -1.874 -6.099) 50.080 6.645 ( 2.329 -0.929 19.568) 19.728 6.932 ( 4.912 0.028 -0.186) 4.916 7.059 ( -5.605 -0.189 2.062) 5.975 7.471 ( -0.809 -1.558 -3.096) 3.559 7.536 ( -0.512 0.297 0.697) 0.915 7.584 ( 1.650 -0.462 -0.002) 1.714 7.826 ( -1.153 0.012 18.291) 18.327 7.899 ( -3.904 -0.240 0.465) 3.939 7.945 ( -4.334 -0.255 0.459) 4.366 8.466 ( -1.273 0.066 -2.006) 2.376 8.478 ( 3.388 0.267 4.268) 5.456 9.148 ( 0.633 0.132 -1.685) 1.805 9.344 ( 2.403 2.157 -4.185) 5.286 9.370 ( 2.207 -1.650 -3.057) 4.116 9.695 ( 4.161 -0.292 8.049) 9.066 10.373 ( 2.329 -0.104 -4.490) 5.060 ======================= Grid point 301 (113/171) ======================= q-point: (-0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.000 2.386 2.620) 3.544 0.941 ( -0.000 -3.532 0.095) 3.533 0.945 ( 0.000 2.439 1.482) 2.854 0.973 ( 0.000 3.056 0.471) 3.092 1.173 ( -0.000 -2.171 6.972) 7.302 1.199 ( 0.000 3.092 13.354) 13.708 1.282 ( -0.000 -2.684 4.455) 5.201 1.596 ( 0.000 11.673 5.949) 13.101 1.672 ( 0.000 0.450 -3.506) 3.534 1.932 ( -0.000 -6.219 2.156) 6.582 2.225 ( -0.000 -0.311 -12.968) 12.971 2.274 ( 0.000 0.031 2.126) 2.126 2.505 ( -0.000 -0.079 -2.959) 2.960 2.748 ( 0.000 0.050 11.690) 11.690 3.146 ( -0.000 -0.727 20.898) 20.911 3.205 ( -0.000 -1.160 -0.499) 1.263 3.494 ( -0.000 -0.281 -10.733) 10.737 4.097 ( 0.000 0.222 -7.714) 7.717 4.278 ( 0.000 0.981 1.142) 1.505 4.304 ( -0.000 -0.010 0.544) 0.544 6.690 ( -0.000 -1.956 23.569) 23.650 6.983 ( 0.000 0.370 -0.573) 0.682 6.991 ( -0.000 -0.332 -0.742) 0.813 7.471 ( -0.000 -3.409 -3.351) 4.780 7.529 ( 0.000 0.331 0.685) 0.761 7.604 ( -0.000 -0.705 -0.284) 0.761 7.816 ( 0.000 0.036 18.617) 18.617 7.863 ( -0.000 -0.362 0.400) 0.539 7.902 ( -0.000 -0.356 -0.433) 0.561 8.448 ( -0.000 -0.090 -1.450) 1.452 8.512 ( 0.000 0.671 3.845) 3.903 9.153 ( 0.000 0.269 -1.640) 1.662 9.353 ( 0.000 2.699 -4.472) 5.223 9.403 ( -0.000 -2.077 -2.746) 3.443 9.741 ( -0.000 -0.653 8.024) 8.050 10.398 ( -0.000 -0.254 -4.075) 4.083 ======================= Grid point 315 (114/171) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -0.000 -0.000 3.160) 3.160 0.924 ( 0.000 0.000 -0.762) 0.762 0.953 ( 0.000 0.000 0.840) 0.840 0.996 ( 0.000 0.000 -0.376) 0.376 1.160 ( 0.000 0.000 8.245) 8.245 1.221 ( 0.000 0.000 18.757) 18.757 1.261 ( 0.000 0.000 1.321) 1.321 1.669 ( 0.000 0.000 -0.108) 0.108 1.675 ( 0.000 0.000 -3.488) 3.488 1.888 ( 0.000 0.000 6.174) 6.174 2.224 ( 0.000 0.000 -12.841) 12.841 2.274 ( 0.000 0.000 2.118) 2.118 2.504 ( 0.000 0.000 -2.954) 2.954 2.749 ( 0.000 0.000 11.668) 11.668 3.142 ( 0.000 0.000 24.720) 24.720 3.199 ( 0.000 0.000 -4.307) 4.307 3.492 ( 0.000 0.000 -10.703) 10.703 4.098 ( 0.000 0.000 -7.830) 7.830 4.283 ( 0.000 0.000 1.073) 1.073 4.304 ( 0.000 0.000 0.586) 0.586 6.680 ( 0.000 0.000 22.788) 22.788 6.985 ( 0.000 0.000 -0.617) 0.617 6.990 ( 0.000 0.000 -0.709) 0.709 7.453 ( 0.000 0.000 -3.314) 3.314 7.531 ( 0.000 0.000 0.780) 0.780 7.600 ( 0.000 0.000 -0.237) 0.237 7.817 ( 0.000 0.000 18.902) 18.902 7.862 ( 0.000 0.000 0.392) 0.392 7.900 ( 0.000 0.000 -0.440) 0.440 8.448 ( 0.000 0.000 -1.955) 1.955 8.515 ( 0.000 0.000 4.501) 4.501 9.155 ( 0.000 0.000 -1.644) 1.644 9.375 ( 0.000 0.000 -4.111) 4.111 9.384 ( -0.000 -0.000 -2.927) 2.927 9.737 ( 0.000 0.000 7.888) 7.888 10.397 ( 0.000 0.000 -4.101) 4.101 ======================= Grid point 410 (115/171) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 0.000 14.366) 14.366 0.764 ( 0.000 0.000 10.818) 10.818 0.830 ( 0.000 0.000 -5.327) 5.327 0.909 ( 0.000 0.000 -3.941) 3.941 1.192 ( 0.000 0.000 0.599) 0.599 1.253 ( 0.000 0.000 -4.055) 4.055 1.345 ( 0.000 0.000 7.085) 7.085 1.507 ( 0.000 0.000 -7.413) 7.413 1.921 ( 0.000 0.000 1.500) 1.500 1.971 ( 0.000 0.000 -1.246) 1.246 2.292 ( 0.000 0.000 35.342) 35.342 2.338 ( 0.000 0.000 4.015) 4.015 2.430 ( 0.000 0.000 -4.519) 4.519 2.927 ( 0.000 0.000 -18.912) 18.912 2.964 ( 0.000 0.000 9.230) 9.230 3.198 ( 0.000 0.000 -15.740) 15.740 3.777 ( 0.000 0.000 4.870) 4.870 3.892 ( 0.000 0.000 -6.199) 6.199 4.240 ( 0.000 0.000 2.902) 2.902 4.288 ( 0.000 0.000 -1.558) 1.558 6.962 ( 0.000 0.000 0.980) 0.980 6.991 ( 0.000 0.000 -1.668) 1.668 7.419 ( 0.000 0.000 3.574) 3.574 7.492 ( 0.000 0.000 -3.321) 3.321 7.753 ( 0.000 0.000 4.996) 4.996 7.804 ( 0.000 0.000 1.288) 1.288 7.917 ( 0.000 0.000 0.311) 0.311 7.922 ( 0.000 0.000 -0.133) 0.133 8.138 ( 0.000 0.000 -1.337) 1.337 8.187 ( 0.000 0.000 -4.987) 4.987 8.771 ( 0.000 0.000 3.755) 3.755 8.843 ( 0.000 0.000 -3.033) 3.033 9.283 ( 0.000 0.000 5.777) 5.777 9.416 ( 0.000 0.000 -6.915) 6.915 10.108 ( 0.000 0.000 7.734) 7.734 10.268 ( 0.000 0.000 -7.424) 7.424 ======================= Grid point 411 (116/171) ======================= q-point: ( 0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 8.368 -0.685 10.862) 13.728 0.795 ( 2.399 -1.049 5.250) 5.867 0.928 ( 8.062 -1.046 -1.756) 8.317 0.962 ( 4.560 -0.413 -3.585) 5.815 1.166 ( -0.414 0.900 -1.200) 1.556 1.188 ( -2.887 -0.620 -2.356) 3.778 1.555 ( 17.511 -0.205 8.335) 19.395 1.727 ( 17.944 -0.055 -7.322) 19.381 1.918 ( 0.866 1.238 2.136) 2.617 1.981 ( 2.047 -0.092 -2.273) 3.060 2.329 ( 4.580 -0.887 28.011) 28.397 2.433 ( 7.881 -0.088 8.909) 11.895 2.482 ( 5.034 -0.036 -3.904) 6.371 2.945 ( 0.369 0.044 -5.367) 5.380 2.949 ( 0.012 -0.689 -1.979) 2.095 3.183 ( -1.266 0.155 -16.943) 16.991 3.521 ( -10.112 -0.064 14.699) 17.842 3.772 ( -6.192 -0.296 -10.465) 12.163 4.776 ( 40.160 0.369 4.693) 40.435 4.942 ( 48.654 1.004 -13.086) 50.393 6.936 ( -2.527 0.056 0.855) 2.668 6.962 ( -2.451 0.224 -1.591) 2.930 7.433 ( 1.295 0.330 3.298) 3.558 7.501 ( 0.642 -0.258 -3.048) 3.126 7.700 ( -3.693 3.322 4.191) 6.499 7.753 ( -4.372 0.986 -0.056) 4.482 7.963 ( 4.221 0.533 1.341) 4.461 7.984 ( 5.737 0.294 -0.470) 5.763 8.137 ( 0.889 2.467 -0.282) 2.637 8.191 ( -0.621 -4.168 -4.691) 6.306 8.747 ( -1.315 1.806 6.274) 6.660 8.849 ( 0.086 -2.025 -3.767) 4.277 9.254 ( -2.818 -0.165 4.941) 5.691 9.365 ( -4.626 0.163 -5.522) 7.205 10.025 ( -6.911 0.812 10.558) 12.645 10.227 ( -3.903 -0.041 -8.749) 9.580 ======================= Grid point 412 (117/171) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 1.342 -0.998 4.543) 4.841 0.876 ( 8.074 0.709 3.577) 8.859 1.027 ( 1.359 0.458 -0.733) 1.610 1.094 ( 7.210 -0.162 -3.897) 8.198 1.199 ( 5.718 0.112 0.343) 5.729 1.210 ( 3.834 -0.595 -1.122) 4.039 1.869 ( 10.743 0.279 6.696) 12.662 1.912 ( 2.891 1.020 0.850) 3.181 2.125 ( 14.092 0.026 -2.650) 14.339 2.172 ( 21.376 -0.841 -5.307) 22.041 2.487 ( 10.676 -1.459 28.837) 30.785 2.618 ( 11.063 0.144 0.886) 11.099 2.621 ( 9.699 -0.150 0.509) 9.714 2.921 ( -1.144 -0.132 6.654) 6.753 2.987 ( 1.319 -0.884 -8.241) 8.392 3.164 ( 0.043 0.127 -20.076) 20.076 3.421 ( -1.734 -0.413 14.664) 14.772 3.682 ( -3.688 -0.542 -11.412) 12.006 5.650 ( 45.950 0.946 5.894) 46.336 5.827 ( 39.694 1.692 -11.593) 41.387 6.874 ( -3.124 0.360 1.416) 3.449 6.920 ( -0.551 0.825 -3.133) 3.286 7.450 ( 0.287 1.240 2.803) 3.078 7.505 ( -0.819 -0.057 -2.259) 2.403 7.604 ( -3.810 2.510 2.487) 5.196 7.643 ( -5.688 1.296 -0.745) 5.881 8.051 ( 4.248 0.598 1.827) 4.663 8.096 ( 3.635 2.153 -2.345) 4.832 8.179 ( 5.990 -0.422 0.988) 6.086 8.218 ( 2.226 -3.510 -2.806) 5.015 8.729 ( 1.002 2.016 9.677) 9.936 8.872 ( 1.302 -2.461 -4.452) 5.251 9.185 ( -4.026 -0.252 3.130) 5.106 9.258 ( -5.874 -0.204 -3.737) 6.965 9.874 ( -7.554 0.605 12.856) 14.924 10.134 ( -5.142 0.010 -11.270) 12.388 ======================= Grid point 413 (118/171) ======================= q-point: ( 0.21 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -0.515 -0.553 3.868) 3.942 0.935 ( -1.200 0.159 -3.750) 3.941 1.099 ( 6.335 1.210 4.389) 7.801 1.186 ( 2.846 0.428 -3.624) 4.628 1.326 ( 7.449 1.445 0.563) 7.609 1.339 ( 7.446 0.723 -0.606) 7.506 1.979 ( 4.708 0.197 2.881) 5.523 2.034 ( 7.495 0.125 -0.030) 7.496 2.372 ( 8.994 -0.314 6.700) 11.219 2.519 ( 10.952 -1.078 -7.235) 13.170 2.690 ( 7.299 -1.186 23.356) 24.498 2.878 ( 15.670 0.291 2.326) 15.844 2.904 ( 3.814 -0.553 1.728) 4.223 2.952 ( 18.982 -0.155 0.456) 18.988 2.998 ( 0.914 -0.280 -3.184) 3.324 3.198 ( 3.219 -0.166 -18.495) 18.774 3.420 ( 1.073 -0.102 10.348) 10.404 3.622 ( -2.771 -0.327 -10.375) 10.744 6.402 ( 18.386 0.876 1.523) 18.470 6.433 ( 28.689 1.004 -1.455) 28.744 6.867 ( 6.834 0.572 5.182) 8.595 6.993 ( 9.819 0.912 -6.703) 11.924 7.420 ( -1.845 2.508 1.357) 3.397 7.453 ( -3.936 0.679 -1.704) 4.343 7.542 ( -2.052 0.260 1.304) 2.445 7.557 ( -1.804 -0.585 0.107) 1.899 8.091 ( -0.944 0.964 0.268) 1.376 8.111 ( 0.885 -0.559 -1.240) 1.623 8.318 ( 6.353 -0.360 1.522) 6.542 8.358 ( 9.803 -0.349 -2.050) 10.021 8.773 ( 4.687 2.636 10.877) 12.133 8.927 ( 3.050 -2.159 -4.193) 5.616 9.111 ( -3.397 -0.213 1.117) 3.582 9.150 ( -5.089 -0.861 -2.544) 5.754 9.732 ( -6.587 0.349 14.204) 15.661 10.041 ( -3.992 0.039 -13.856) 14.420 ======================= Grid point 414 (119/171) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -1.307 -0.376 2.774) 3.089 0.894 ( -2.422 -0.182 -2.654) 3.597 1.199 ( 3.851 0.671 1.155) 4.076 1.221 ( 1.246 0.673 -0.906) 1.681 1.458 ( 6.895 3.178 0.465) 7.606 1.472 ( 6.800 1.604 -0.709) 7.023 2.070 ( 3.425 -1.036 3.953) 5.332 2.162 ( 4.456 -0.551 -3.959) 5.986 2.483 ( 2.927 0.010 11.497) 11.863 2.625 ( 0.724 -0.787 -4.838) 4.954 2.774 ( 1.913 -0.199 19.423) 19.518 2.960 ( 4.930 -0.402 0.677) 4.993 2.980 ( 1.424 -0.046 -2.617) 2.979 3.206 ( 6.632 0.319 -12.895) 14.504 3.340 ( 14.313 0.168 1.305) 14.373 3.348 ( 13.914 -0.120 2.261) 14.097 3.476 ( 8.472 0.190 1.801) 8.663 3.582 ( -0.628 0.050 -9.579) 9.599 6.588 ( 4.835 1.105 3.178) 5.890 6.633 ( 1.238 1.780 -1.367) 2.564 7.158 ( 8.326 -0.023 0.381) 8.334 7.179 ( 3.987 -0.582 -1.550) 4.317 7.378 ( -0.502 -0.041 2.575) 2.624 7.428 ( 1.158 0.241 -1.980) 2.306 7.577 ( 10.585 -0.015 1.708) 10.721 7.600 ( 8.247 -0.181 -0.056) 8.250 8.048 ( -2.185 1.467 3.088) 4.057 8.120 ( -0.376 -0.081 -3.471) 3.492 8.426 ( 4.001 0.362 4.733) 6.208 8.526 ( 6.437 0.443 -4.325) 7.768 8.878 ( 7.034 2.764 8.934) 11.702 9.005 ( 3.490 -0.823 -3.613) 5.091 9.066 ( -0.875 -1.076 0.279) 1.415 9.089 ( -1.273 -1.406 -1.406) 2.361 9.619 ( -4.583 -0.048 16.378) 17.008 9.986 ( -1.430 -0.053 -16.437) 16.499 ======================= Grid point 415 (120/171) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -1.213 -0.403 1.918) 2.304 0.851 ( -2.130 -0.767 -1.752) 2.863 1.231 ( 0.305 0.844 0.450) 1.004 1.243 ( 1.078 0.849 -0.613) 1.503 1.560 ( 5.307 3.305 1.426) 6.413 1.588 ( 5.753 1.399 -1.104) 6.023 2.082 ( -3.786 -1.951 3.486) 5.504 2.159 ( -5.675 -1.003 -3.670) 6.832 2.542 ( 4.486 0.571 8.214) 9.377 2.620 ( 0.356 0.269 -2.345) 2.387 2.811 ( 1.851 0.072 22.408) 22.484 3.034 ( 3.720 0.213 -0.184) 3.731 3.072 ( 5.879 -0.055 -2.398) 6.350 3.261 ( 0.748 -0.010 -9.679) 9.708 3.412 ( -0.491 0.163 1.718) 1.794 3.487 ( -0.461 0.335 -10.466) 10.482 3.726 ( 13.799 0.545 1.487) 13.890 3.769 ( 14.495 0.308 -2.132) 14.654 6.624 ( 0.038 3.034 2.153) 3.721 6.659 ( 3.199 1.747 -0.597) 3.693 7.159 ( -3.112 -1.927 0.248) 3.669 7.178 ( -1.823 -1.558 -1.534) 2.847 7.350 ( -2.423 -0.724 3.502) 4.320 7.420 ( -1.628 -1.119 -2.900) 3.509 7.835 ( 12.083 0.513 5.367) 13.231 7.912 ( 16.445 0.208 -2.566) 16.645 8.004 ( -0.603 2.189 5.980) 6.396 8.106 ( 0.231 0.998 -3.948) 4.079 8.462 ( 0.038 0.052 5.664) 5.664 8.581 ( -0.304 0.754 -5.129) 5.193 8.994 ( 5.268 1.857 4.323) 7.063 9.050 ( 1.456 0.142 -1.237) 1.916 9.093 ( 2.310 -1.376 0.905) 2.837 9.130 ( 3.950 -1.363 -2.136) 4.693 9.564 ( -1.094 -0.643 19.212) 19.253 9.986 ( 1.067 -0.278 -18.371) 18.404 ======================= Grid point 416 (121/171) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -0.641 -0.270 1.380) 1.545 0.821 ( -1.344 -0.931 -1.075) 1.957 1.226 ( -0.339 0.695 0.793) 1.108 1.244 ( -0.223 0.760 -0.891) 1.192 1.632 ( 3.430 2.071 2.793) 4.884 1.681 ( 4.444 0.936 -1.836) 4.898 1.963 ( -7.666 -1.660 2.086) 8.116 2.009 ( -7.909 -0.400 -2.184) 8.215 2.641 ( 4.938 0.304 3.172) 5.877 2.655 ( 2.677 0.389 -0.280) 2.720 2.833 ( 0.211 0.019 26.252) 26.253 3.110 ( 4.041 0.361 2.606) 4.822 3.183 ( 5.446 0.264 -4.087) 6.815 3.246 ( -2.147 -0.201 -1.848) 2.839 3.377 ( -2.861 -0.041 -1.802) 3.381 3.466 ( -0.866 0.291 -18.525) 18.548 3.944 ( 7.895 0.430 2.170) 8.199 3.983 ( 7.377 0.385 -1.506) 7.539 6.603 ( -0.479 2.690 4.734) 5.466 6.702 ( 1.917 1.742 -4.034) 4.794 7.126 ( -1.275 -2.174 0.992) 2.709 7.158 ( -0.955 -1.884 -1.961) 2.882 7.310 ( -1.760 -0.559 4.009) 4.414 7.395 ( -1.285 -0.934 -3.845) 4.160 7.928 ( -0.106 1.940 5.062) 5.422 8.036 ( -0.217 1.068 -4.986) 5.103 8.088 ( 7.664 0.401 12.233) 14.441 8.233 ( 9.820 0.453 -3.137) 10.319 8.440 ( -2.078 -0.282 4.191) 4.687 8.539 ( -2.777 0.339 -5.263) 5.960 9.049 ( 1.199 0.654 1.321) 1.900 9.063 ( 0.185 0.025 -0.299) 0.353 9.161 ( 3.100 -0.543 1.914) 3.684 9.208 ( 3.041 -0.511 -2.322) 3.860 9.575 ( 1.230 -0.780 20.263) 20.315 10.017 ( 1.570 -0.323 -19.090) 19.157 ======================= Grid point 417 (122/171) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.000 -0.000 1.171) 1.171 0.809 ( 0.000 -0.000 -0.769) 0.769 1.219 ( 0.000 -0.000 0.943) 0.943 1.238 ( 0.000 -0.000 -0.891) 0.891 1.665 ( 0.000 -0.000 3.874) 3.874 1.737 ( 0.000 -0.000 -2.905) 2.905 1.870 ( 0.000 -0.000 2.205) 2.205 1.920 ( 0.000 -0.000 -2.376) 2.376 2.686 ( 0.000 -0.000 0.326) 0.326 2.697 ( 0.000 -0.000 -0.927) 0.927 2.829 ( 0.000 -0.000 30.051) 30.051 3.181 ( 0.000 -0.000 2.092) 2.092 3.189 ( 0.000 -0.000 3.487) 3.487 3.263 ( 0.000 -0.000 -3.345) 3.345 3.324 ( -0.000 -0.000 -4.185) 4.185 3.456 ( 0.000 -0.000 -21.948) 21.948 4.021 ( 0.000 -0.000 1.930) 1.930 4.054 ( 0.000 -0.000 -1.189) 1.189 6.589 ( 0.000 -0.000 5.813) 5.813 6.715 ( 0.000 -0.000 -5.588) 5.588 7.121 ( 0.000 -0.000 1.156) 1.156 7.155 ( 0.000 -0.000 -1.958) 1.958 7.294 ( 0.000 -0.000 4.302) 4.302 7.384 ( 0.000 -0.000 -4.190) 4.190 7.917 ( 0.000 -0.000 5.317) 5.317 8.026 ( 0.000 -0.000 -4.816) 4.816 8.173 ( 0.000 -0.000 14.717) 14.717 8.356 ( 0.000 -0.000 -4.160) 4.160 8.395 ( 0.000 -0.000 4.085) 4.085 8.503 ( 0.000 -0.000 -6.150) 6.150 9.055 ( 0.000 -0.000 0.989) 0.989 9.064 ( 0.000 -0.000 -0.108) 0.108 9.195 ( 0.000 -0.000 1.927) 1.927 9.241 ( 0.000 -0.000 -2.255) 2.255 9.593 ( 0.000 -0.000 20.095) 20.095 10.036 ( 0.000 -0.000 -19.172) 19.172 ======================= Grid point 426 (123/171) ======================= q-point: ( 0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 1.543 0.000 4.810) 5.051 0.880 ( 8.005 0.000 2.954) 8.532 1.030 ( 1.800 0.000 -0.643) 1.911 1.092 ( 7.716 0.000 -3.283) 8.385 1.201 ( 5.386 0.000 0.088) 5.387 1.206 ( 4.172 0.000 -1.154) 4.329 1.871 ( 11.089 0.000 6.855) 13.037 1.917 ( 2.398 0.000 0.662) 2.487 2.125 ( 13.561 0.000 -2.827) 13.853 2.167 ( 21.709 0.000 -5.302) 22.347 2.480 ( 10.727 0.000 29.430) 31.324 2.620 ( 9.316 0.000 -1.444) 9.427 2.620 ( 11.528 0.000 2.599) 11.818 2.920 ( -1.189 -0.000 6.778) 6.881 2.982 ( 1.470 0.000 -8.505) 8.631 3.165 ( -0.027 -0.000 -20.085) 20.085 3.418 ( -1.667 -0.000 14.636) 14.730 3.679 ( -3.623 -0.000 -11.395) 11.957 5.654 ( 45.914 0.000 6.049) 46.311 5.835 ( 39.361 0.000 -11.781) 41.086 6.876 ( -3.084 -0.000 1.442) 3.404 6.924 ( -0.490 -0.000 -3.379) 3.414 7.455 ( 0.543 0.000 2.141) 2.209 7.504 ( -0.665 -0.000 -2.285) 2.380 7.620 ( -4.713 -0.000 2.343) 5.263 7.648 ( -6.121 -0.000 -0.072) 6.122 8.055 ( 4.029 0.000 1.902) 4.456 8.109 ( 3.511 0.000 -2.974) 4.602 8.181 ( 4.356 0.000 -0.404) 4.375 8.193 ( 4.401 0.000 -1.549) 4.666 8.741 ( 0.928 0.000 8.523) 8.573 8.858 ( 1.519 0.000 -3.194) 3.537 9.184 ( -3.994 -0.000 3.119) 5.067 9.257 ( -5.991 -0.000 -3.784) 7.086 9.877 ( -7.701 -0.000 12.774) 14.916 10.134 ( -5.132 -0.000 -11.131) 12.257 ======================= Grid point 427 (124/171) ======================= q-point: ( 0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -0.342 -0.240 4.073) 4.094 0.936 ( -1.308 0.022 -4.033) 4.240 1.109 ( 5.982 0.493 3.930) 7.175 1.189 ( 2.850 0.169 -3.558) 4.561 1.337 ( 8.110 0.690 0.444) 8.151 1.343 ( 7.916 0.061 -0.062) 7.917 1.981 ( 4.186 0.076 2.828) 5.052 2.035 ( 7.382 0.038 -0.016) 7.382 2.370 ( 9.074 -0.095 6.166) 10.971 2.512 ( 10.989 -0.386 -7.189) 13.137 2.681 ( 7.711 -0.447 24.236) 25.437 2.880 ( 16.325 0.118 1.814) 16.426 2.899 ( 3.022 -0.217 2.159) 3.720 2.951 ( 18.825 -0.030 0.407) 18.830 2.996 ( 1.495 -0.100 -3.110) 3.452 3.196 ( 3.137 -0.060 -18.883) 19.142 3.420 ( 1.237 -0.038 10.289) 10.363 3.620 ( -2.603 -0.118 -10.316) 10.640 6.409 ( 17.948 0.319 1.635) 18.025 6.440 ( 28.842 0.353 -1.395) 28.878 6.871 ( 6.723 0.194 5.208) 8.507 6.999 ( 9.386 0.309 -6.818) 11.605 7.441 ( -1.792 1.414 0.260) 2.297 7.456 ( -4.159 -0.143 -0.985) 4.276 7.545 ( -2.867 0.259 0.967) 3.037 7.551 ( -2.091 -0.505 0.497) 2.208 8.098 ( -1.378 0.504 -0.478) 1.543 8.106 ( 1.001 -0.357 -1.058) 1.500 8.316 ( 6.978 -0.107 1.578) 7.155 8.355 ( 10.190 -0.093 -1.989) 10.383 8.795 ( 4.790 1.274 9.107) 10.368 8.909 ( 3.369 -1.097 -2.428) 4.295 9.110 ( -3.258 -0.009 0.844) 3.366 9.143 ( -5.426 -0.386 -2.538) 6.003 9.734 ( -6.729 0.124 14.178) 15.694 10.041 ( -4.000 0.009 -13.736) 14.307 ======================= Grid point 428 (125/171) ======================= q-point: ( 0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -1.268 -0.245 2.821) 3.102 0.892 ( -2.629 -0.143 -2.746) 3.804 1.205 ( 3.755 0.428 0.995) 3.908 1.227 ( 1.297 0.369 -1.006) 1.682 1.483 ( 7.150 1.449 0.060) 7.296 1.485 ( 6.700 1.193 -0.134) 6.807 2.061 ( 3.009 -0.598 4.067) 5.094 2.158 ( 4.100 -0.318 -4.219) 5.892 2.483 ( 3.203 0.026 11.169) 11.619 2.619 ( 1.116 -0.460 -4.634) 4.788 2.772 ( 2.239 -0.155 19.884) 20.011 2.957 ( 5.008 -0.211 0.627) 5.051 2.980 ( 1.611 -0.038 -2.640) 3.093 3.209 ( 6.211 0.184 -13.212) 14.600 3.342 ( 14.963 0.146 1.250) 15.015 3.347 ( 13.965 -0.097 2.397) 14.170 3.478 ( 8.485 0.112 1.814) 8.677 3.582 ( -0.516 0.020 -9.540) 9.554 6.597 ( 5.056 0.594 3.442) 6.145 6.647 ( 1.476 0.934 -1.611) 2.376 7.158 ( 7.882 0.016 0.069) 7.882 7.174 ( 3.544 -0.318 -1.379) 3.816 7.378 ( -1.263 0.084 2.667) 2.952 7.430 ( -0.027 0.149 -2.023) 2.028 7.577 ( 10.868 -0.073 1.720) 11.003 7.599 ( 8.810 -0.124 0.081) 8.811 8.060 ( -1.855 0.780 2.397) 3.130 8.119 ( 0.025 -0.057 -3.111) 3.112 8.429 ( 4.011 0.264 4.784) 6.248 8.530 ( 6.728 0.311 -4.396) 8.043 8.904 ( 6.793 2.093 7.387) 10.252 8.995 ( 4.523 -0.949 -2.036) 5.050 9.058 ( -1.860 -0.367 -0.373) 1.932 9.075 ( -1.225 -1.126 -1.209) 2.057 9.619 ( -4.804 -0.035 16.464) 17.151 9.986 ( -1.502 -0.032 -16.382) 16.450 ======================= Grid point 429 (126/171) ======================= q-point: ( 0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -1.181 -0.283 1.739) 2.121 0.844 ( -2.320 -0.537 -1.623) 2.882 1.239 ( 0.269 0.594 0.444) 0.788 1.250 ( 1.139 0.569 -0.612) 1.413 1.590 ( 4.906 2.279 0.528) 5.435 1.600 ( 5.517 1.091 -0.466) 5.643 2.064 ( -3.928 -1.428 3.818) 5.661 2.149 ( -5.500 -0.744 -4.122) 6.913 2.546 ( 4.455 0.378 8.309) 9.436 2.622 ( 0.682 0.124 -2.220) 2.326 2.811 ( 1.833 0.025 22.477) 22.551 3.036 ( 3.784 0.148 -0.203) 3.792 3.071 ( 6.076 -0.044 -2.406) 6.535 3.261 ( 0.686 -0.006 -9.746) 9.770 3.413 ( -0.558 0.117 1.763) 1.852 3.490 ( -0.451 0.249 -10.561) 10.574 3.731 ( 13.816 0.400 1.383) 13.890 3.772 ( 14.628 0.188 -1.967) 14.761 6.651 ( 0.278 2.079 1.651) 2.670 6.674 ( 3.411 1.126 -0.025) 3.592 7.142 ( -3.740 -1.307 0.313) 3.974 7.165 ( -2.248 -1.019 -1.821) 3.067 7.345 ( -2.389 -0.395 3.384) 4.161 7.411 ( -1.659 -0.725 -2.648) 3.208 7.839 ( 12.380 0.339 5.522) 13.560 7.914 ( 16.645 0.130 -2.316) 16.805 8.023 ( -0.808 1.545 5.162) 5.448 8.114 ( 0.409 0.541 -3.563) 3.627 8.463 ( -0.147 0.117 5.781) 5.784 8.588 ( -0.442 0.576 -5.712) 5.758 9.014 ( 4.576 1.816 3.745) 6.186 9.052 ( 1.543 0.370 -0.631) 1.707 9.079 ( 2.433 -1.374 0.776) 2.900 9.115 ( 4.536 -1.407 -2.029) 5.164 9.558 ( -1.313 -0.465 19.498) 19.548 9.983 ( 0.989 -0.193 -18.418) 18.445 ======================= Grid point 430 (127/171) ======================= q-point: ( 0.36 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -0.461 -0.133 1.025) 1.132 0.811 ( -1.211 -0.821 -0.772) 1.654 1.233 ( -0.495 0.583 0.789) 1.099 1.251 ( -0.515 0.575 -0.913) 1.195 1.654 ( 2.817 2.133 1.926) 4.024 1.689 ( 4.044 0.589 -1.402) 4.321 1.946 ( -7.308 -1.578 2.763) 7.970 2.005 ( -7.652 -0.405 -2.696) 8.123 2.644 ( 4.782 0.238 3.377) 5.859 2.659 ( 2.551 0.338 -0.352) 2.597 2.833 ( 0.169 -0.024 26.249) 26.250 3.113 ( 4.096 0.299 2.571) 4.845 3.186 ( 5.524 0.210 -4.031) 6.842 3.244 ( -2.271 -0.169 -1.862) 2.942 3.376 ( -2.977 -0.041 -1.787) 3.472 3.469 ( -0.944 0.262 -18.617) 18.642 3.948 ( 7.735 0.355 2.166) 8.040 3.987 ( 7.265 0.274 -1.434) 7.410 6.628 ( -1.396 2.157 4.363) 5.063 6.718 ( 1.424 1.382 -3.551) 4.068 7.104 ( -0.706 -1.901 1.048) 2.282 7.140 ( -0.594 -1.582 -2.255) 2.818 7.306 ( -1.433 -0.213 3.917) 4.176 7.387 ( -0.905 -0.583 -3.533) 3.693 7.946 ( -0.492 1.601 4.535) 4.834 8.044 ( -0.504 0.574 -4.558) 4.622 8.092 ( 7.357 0.368 12.256) 14.300 8.238 ( 9.747 0.401 -3.131) 10.245 8.438 ( -2.109 -0.110 4.267) 4.761 8.542 ( -3.008 0.269 -5.685) 6.437 9.055 ( 0.687 0.497 0.967) 1.287 9.064 ( 0.102 0.026 -0.104) 0.148 9.155 ( 3.487 -0.475 2.030) 4.063 9.203 ( 3.408 -0.449 -2.288) 4.130 9.568 ( 1.437 -0.635 20.605) 20.665 10.014 ( 1.654 -0.258 -19.182) 19.254 ======================= Grid point 431 (128/171) ======================= q-point: ( 0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.123 0.038 1.145) 1.153 0.809 ( 0.656 -0.061 -0.745) 0.994 1.219 ( -0.414 0.169 0.855) 0.965 1.237 ( -0.483 -0.143 -0.822) 0.964 1.668 ( -1.053 0.674 3.607) 3.817 1.734 ( -0.973 -0.576 -2.553) 2.792 1.870 ( 1.338 -0.024 2.130) 2.516 1.920 ( 0.151 -0.081 -2.394) 2.400 2.687 ( -0.174 0.093 0.260) 0.326 2.697 ( -0.135 0.045 -0.915) 0.926 2.828 ( -0.031 -0.098 30.149) 30.149 3.180 ( -2.603 -0.199 2.240) 3.440 3.191 ( 2.491 0.246 3.327) 4.163 3.263 ( -0.465 -0.032 -3.347) 3.380 3.324 ( 0.328 -0.029 -4.188) 4.201 3.457 ( -0.169 0.044 -21.997) 21.998 4.021 ( -0.249 0.003 1.930) 1.946 4.054 ( -0.259 -0.039 -1.160) 1.189 6.589 ( -1.647 -0.102 5.812) 6.042 6.715 ( -1.137 -0.076 -5.603) 5.717 7.120 ( 1.288 -0.177 1.144) 1.732 7.154 ( 1.232 -0.172 -1.971) 2.330 7.296 ( 0.441 0.404 4.289) 4.331 7.385 ( 0.601 0.162 -4.067) 4.114 7.918 ( -1.172 0.190 5.166) 5.301 8.024 ( -0.811 -0.319 -4.694) 4.774 8.173 ( -0.212 -0.002 14.712) 14.713 8.356 ( -0.952 -0.088 -4.073) 4.184 8.397 ( 0.949 0.308 3.905) 4.030 8.503 ( -0.142 -0.017 -6.093) 6.095 9.054 ( -0.297 -0.102 1.012) 1.060 9.064 ( 0.010 -0.028 -0.123) 0.127 9.195 ( 0.195 -0.062 1.960) 1.970 9.241 ( 0.239 0.049 -2.287) 2.300 9.593 ( 0.511 0.020 20.086) 20.092 10.036 ( 0.211 0.002 -19.171) 19.172 ======================= Grid point 432 (129/171) ======================= q-point: (-0.50 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.796 0.326 1.705) 1.910 0.830 ( 1.556 0.886 -1.341) 2.237 1.219 ( 0.107 -0.621 0.751) 0.981 1.236 ( -0.075 -0.846 -0.807) 1.172 1.613 ( -4.345 -1.657 3.395) 5.758 1.671 ( -4.679 -1.029 -2.084) 5.224 1.979 ( 8.108 1.423 1.462) 8.360 2.013 ( 8.175 0.290 -1.667) 8.348 2.637 ( -5.143 -0.324 3.099) 6.013 2.652 ( -2.886 -0.340 -0.322) 2.924 2.832 ( -0.232 -0.073 26.316) 26.317 3.106 ( -3.984 -0.350 2.614) 4.778 3.181 ( -5.398 -0.268 -4.169) 6.826 3.248 ( 2.040 0.191 -1.801) 2.728 3.377 ( 2.745 0.031 -1.825) 3.297 3.463 ( 0.774 -0.250 -18.512) 18.530 3.940 ( -8.065 -0.418 2.165) 8.361 3.979 ( -7.503 -0.431 -1.525) 7.669 6.575 ( -0.486 -2.691 5.133) 5.816 6.683 ( -2.451 -1.761 -4.565) 5.473 7.147 ( 1.882 1.835 0.982) 2.806 7.177 ( 1.454 1.799 -1.771) 2.913 7.318 ( 2.116 1.037 4.117) 4.743 7.406 ( 1.708 1.152 -4.030) 4.527 7.907 ( -0.511 -1.908 5.484) 5.829 8.023 ( -0.097 -1.431 -5.243) 5.436 8.084 ( -7.916 -0.360 12.145) 14.502 8.229 ( -9.905 -0.378 -3.199) 10.416 8.444 ( 2.013 0.408 4.017) 4.511 8.536 ( 2.546 -0.347 -4.714) 5.369 9.042 ( -1.633 -0.663 1.694) 2.445 9.063 ( -0.223 -0.021 -0.528) 0.574 9.166 ( -2.711 0.472 1.811) 3.294 9.213 ( -2.766 0.455 -2.373) 3.673 9.583 ( -1.023 0.769 19.904) 19.945 10.021 ( -1.478 0.324 -18.988) 19.048 ======================= Grid point 433 (130/171) ======================= q-point: (-0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 1.211 0.436 2.137) 2.495 0.859 ( 1.874 0.839 -1.910) 2.804 1.222 ( -0.336 -0.932 0.443) 1.085 1.233 ( -0.974 -0.969 -0.598) 1.499 1.524 ( -5.978 -3.563 2.569) 7.418 1.573 ( -6.026 -1.497 -1.899) 6.493 2.103 ( 3.694 2.081 3.079) 5.240 2.169 ( 5.937 1.026 -3.115) 6.783 2.535 ( -4.531 -0.693 8.131) 9.334 2.616 ( 0.011 -0.415 -2.540) 2.573 2.810 ( -1.898 -0.129 22.363) 22.444 3.031 ( -3.652 -0.234 -0.187) 3.665 3.072 ( -5.621 0.052 -2.376) 6.102 3.261 ( -0.826 0.014 -9.580) 9.616 3.410 ( 0.416 -0.174 1.661) 1.721 3.484 ( 0.476 -0.335 -10.394) 10.410 3.720 ( -13.754 -0.567 1.566) 13.854 3.766 ( -14.340 -0.388 -2.264) 14.522 6.591 ( 0.215 -3.426 2.750) 4.399 6.639 ( -3.013 -2.035 -1.290) 3.857 7.179 ( 2.390 1.980 0.262) 3.115 7.196 ( 1.460 1.959 -1.283) 2.759 7.360 ( 2.413 1.125 3.596) 4.475 7.433 ( 1.481 1.334 -3.138) 3.718 7.829 ( -11.552 -0.657 5.222) 12.694 7.910 ( -16.049 -0.273 -2.814) 16.296 7.980 ( 0.064 -2.406 6.804) 7.217 8.094 ( -0.022 -1.326 -4.363) 4.560 8.462 ( -0.252 0.070 5.482) 5.488 8.573 ( 0.195 -0.741 -4.338) 4.405 8.977 ( -5.809 -1.577 4.956) 7.797 9.049 ( -1.319 0.016 -1.840) 2.264 9.107 ( -2.171 1.189 0.889) 2.630 9.142 ( -3.575 1.048 -2.204) 4.328 9.571 ( 0.820 0.677 18.893) 18.923 9.989 ( -1.166 0.309 -18.315) 18.355 ======================= Grid point 434 (131/171) ======================= q-point: (-0.36 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 1.278 0.322 2.684) 2.990 0.895 ( 2.034 0.082 -2.533) 3.250 1.193 ( -3.885 -0.600 1.326) 4.148 1.213 ( -1.125 -0.844 -0.703) 1.573 1.420 ( -6.550 -4.081 1.208) 7.812 1.453 ( -6.994 -1.985 -1.653) 7.456 2.082 ( -4.015 1.239 3.786) 5.656 2.169 ( -4.958 0.648 -3.593) 6.157 2.483 ( -2.480 0.043 11.917) 12.172 2.634 ( -0.119 0.918 -5.112) 5.195 2.776 ( -1.496 0.106 18.804) 18.863 2.965 ( -4.772 0.542 0.748) 4.861 2.981 ( -1.184 0.019 -2.593) 2.851 3.203 ( -7.187 -0.369 -12.465) 14.393 3.339 ( -13.780 -0.139 1.338) 13.846 3.350 ( -13.419 0.144 2.202) 13.600 3.474 ( -8.521 -0.210 1.730) 8.698 3.581 ( 0.817 -0.087 -9.645) 9.680 6.575 ( -4.445 -1.436 2.758) 5.425 6.612 ( -0.899 -2.381 -0.970) 2.723 7.159 ( -9.116 0.088 0.804) 9.152 7.186 ( -4.681 0.783 -1.763) 5.063 7.380 ( -0.400 0.361 2.366) 2.426 7.425 ( -2.650 -0.278 -1.779) 3.203 7.577 ( -10.476 -0.109 1.685) 10.612 7.602 ( -7.572 0.131 -0.306) 7.580 8.030 ( 2.620 -1.966 4.092) 5.241 8.120 ( 1.091 0.084 -4.100) 4.244 8.423 ( -3.963 -0.266 4.655) 6.120 8.522 ( -5.987 -0.362 -4.184) 7.313 8.849 ( -7.387 -2.707 10.802) 13.363 9.012 ( -2.556 0.629 -4.897) 5.560 9.079 ( 0.256 1.371 0.463) 1.469 9.103 ( 1.123 1.243 -1.529) 2.268 9.620 ( 4.268 0.032 16.273) 16.823 9.987 ( 1.320 0.058 -16.518) 16.571 ======================= Grid point 435 (132/171) ======================= q-point: (-0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.670 0.384 3.471) 3.556 0.932 ( 1.038 -0.501 -3.335) 3.528 1.087 ( -6.736 -1.153 5.080) 8.515 1.181 ( -2.784 -0.478 -3.636) 4.604 1.308 ( -6.507 -1.971 0.510) 6.818 1.328 ( -6.483 -1.384 -1.247) 6.746 1.977 ( -5.569 -0.252 2.966) 6.315 2.032 ( -7.747 -0.221 -0.015) 7.750 2.376 ( -8.820 0.567 7.581) 11.644 2.533 ( -10.888 1.539 -7.304) 13.200 2.704 ( -6.564 1.528 21.850) 22.866 2.874 ( -15.515 -0.359 2.762) 15.763 2.910 ( -4.131 0.739 1.412) 4.428 2.955 ( -19.215 0.400 0.560) 19.227 3.002 ( -0.010 0.409 -3.335) 3.360 3.200 ( -3.345 0.232 -17.790) 18.103 3.421 ( -0.787 0.133 10.456) 10.486 3.626 ( 3.071 0.462 -10.485) 10.935 6.391 ( -19.060 -1.230 1.298) 19.143 6.420 ( -28.508 -1.482 -1.528) 28.587 6.859 ( -7.042 -0.894 5.155) 8.772 6.981 ( -10.611 -1.426 -6.403) 12.475 7.393 ( 1.099 -2.758 2.475) 3.865 7.443 ( 3.793 -1.239 -2.285) 4.598 7.539 ( 1.484 -0.455 1.615) 2.239 7.562 ( 1.031 0.359 -0.307) 1.134 8.079 ( 0.879 -1.312 1.440) 2.137 8.117 ( -1.340 0.704 -1.544) 2.162 8.323 ( -5.311 0.726 1.452) 5.554 8.363 ( -9.075 0.675 -2.161) 9.353 8.744 ( -4.428 -2.812 13.397) 14.387 8.950 ( -2.483 2.203 -6.417) 7.225 9.115 ( 3.380 0.551 1.437) 3.714 9.159 ( 4.720 0.892 -2.572) 5.448 9.727 ( 6.344 -0.508 14.250) 15.606 10.040 ( 3.962 -0.091 -14.064) 14.611 ======================= Grid point 436 (133/171) ======================= q-point: (-0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -1.645 0.379 3.832) 4.187 0.871 ( -6.965 0.594 4.479) 8.302 1.020 ( -0.485 -0.993 -0.635) 1.275 1.094 ( -6.406 -0.154 -4.775) 7.991 1.200 ( -5.365 0.288 0.721) 5.421 1.217 ( -3.584 0.786 -1.200) 3.860 1.864 ( -9.662 -0.780 6.244) 11.530 1.898 ( -4.383 -1.564 1.330) 4.840 2.126 ( -14.930 0.395 -2.146) 15.089 2.183 ( -21.036 1.263 -5.302) 21.731 2.508 ( -10.575 2.558 27.159) 29.257 2.617 ( -11.320 -0.197 1.458) 11.415 2.623 ( -9.206 0.205 0.691) 9.234 2.923 ( 1.043 0.332 6.435) 6.527 3.000 ( -0.928 1.499 -7.643) 7.844 3.163 ( -0.240 -0.214 -20.059) 20.061 3.426 ( 1.906 0.696 14.754) 14.893 3.690 ( 3.869 0.966 -11.470) 12.143 5.636 ( -46.048 -1.662 5.455) 46.400 5.802 ( -40.605 -3.092 -11.003) 42.183 6.869 ( 3.237 -0.683 1.349) 3.573 6.908 ( 0.724 -1.551 -2.392) 2.941 7.427 ( 0.106 -3.174 4.724) 5.692 7.504 ( 1.240 -0.261 -2.477) 2.783 7.578 ( 2.061 -2.355 1.991) 3.709 7.621 ( 4.200 -2.750 -1.554) 5.255 8.044 ( -4.682 -0.793 1.630) 5.020 8.072 ( -4.086 -2.343 -1.185) 4.856 8.189 ( -6.077 1.474 2.621) 6.780 8.257 ( -0.719 3.976 -3.761) 5.520 8.706 ( -0.941 -2.217 11.998) 12.237 8.902 ( -0.904 3.218 -6.929) 7.693 9.189 ( 4.063 0.405 3.102) 5.128 9.260 ( 5.567 0.251 -3.624) 6.647 9.865 ( 7.190 -1.024 13.056) 14.940 10.133 ( 5.141 -0.101 -11.628) 12.714 ======================= Grid point 437 (134/171) ======================= q-point: (-0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -6.181 2.418 10.147) 12.125 0.814 ( -1.883 2.510 3.941) 5.038 0.946 ( -7.460 2.338 -2.762) 8.291 0.970 ( -4.458 1.111 -3.136) 5.563 1.155 ( 0.802 -1.019 0.336) 1.339 1.195 ( 2.048 0.666 -2.533) 3.325 1.559 ( -17.560 0.570 8.381) 19.466 1.728 ( -17.484 0.106 -6.985) 18.828 1.896 ( -1.652 -2.788 3.564) 4.817 1.981 ( -2.119 -0.092 -4.172) 4.680 2.346 ( -4.449 2.222 25.711) 26.187 2.435 ( -7.715 0.330 10.484) 13.021 2.483 ( -5.128 0.104 -3.643) 6.291 2.945 ( 0.906 0.104 4.622) 4.711 2.961 ( -1.229 1.664 -11.690) 11.872 3.180 ( 1.214 -0.437 -16.872) 16.922 3.522 ( 9.469 0.138 14.932) 17.682 3.778 ( 6.073 0.821 -10.605) 12.248 4.768 ( -39.794 -0.999 4.402) 40.049 4.922 ( -47.990 -2.741 -11.952) 49.532 6.935 ( 2.694 -0.164 0.775) 2.808 6.958 ( 2.678 -0.660 -1.286) 3.043 7.424 ( -1.299 -1.770 5.036) 5.494 7.505 ( -0.538 0.524 -2.893) 2.989 7.648 ( 2.487 -6.019 4.200) 7.749 7.725 ( 3.825 -4.544 -2.109) 6.303 7.955 ( -4.096 -0.999 1.084) 4.354 7.976 ( -5.236 -1.177 -0.933) 5.447 8.122 ( -1.249 -0.130 4.454) 4.627 8.240 ( 0.658 4.938 -6.309) 8.039 8.721 ( 0.859 -2.646 9.177) 9.589 8.880 ( 0.200 3.573 -6.398) 7.331 9.257 ( 2.807 0.352 4.681) 5.469 9.362 ( 4.323 -0.466 -5.172) 6.757 10.010 ( 6.278 -1.975 11.261) 13.043 10.227 ( 3.929 -0.050 -9.296) 10.093 ======================= Grid point 438 (135/171) ======================= q-point: (-0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 0.000 5.111 12.629) 13.625 0.777 ( 0.000 2.364 10.159) 10.430 0.841 ( 0.000 2.150 -5.472) 5.880 0.912 ( 0.000 0.631 -3.679) 3.732 1.187 ( -0.000 -0.871 1.148) 1.441 1.252 ( -0.000 -0.189 -3.744) 3.749 1.346 ( 0.000 0.236 7.200) 7.204 1.509 ( 0.000 0.501 -7.426) 7.443 1.906 ( -0.000 -2.681 2.841) 3.906 1.972 ( 0.000 0.057 -2.873) 2.874 2.304 ( 0.000 2.197 35.011) 35.080 2.338 ( -0.000 -0.007 4.005) 4.005 2.430 ( -0.000 -0.046 -4.511) 4.511 2.933 ( 0.000 1.237 -18.442) 18.483 2.964 ( 0.000 0.070 8.911) 8.911 3.196 ( -0.000 -0.349 -15.687) 15.691 3.762 ( -0.000 -2.857 6.088) 6.725 3.896 ( 0.000 0.642 -6.923) 6.953 4.243 ( 0.000 0.619 2.804) 2.872 4.289 ( 0.000 0.242 -1.474) 1.493 6.963 ( 0.000 0.081 0.918) 0.922 6.990 ( -0.000 -0.158 -1.613) 1.621 7.415 ( -0.000 -0.911 4.494) 4.586 7.495 ( 0.000 0.530 -3.237) 3.281 7.712 ( -0.000 -6.750 5.290) 8.576 7.791 ( -0.000 -3.327 -0.801) 3.422 7.914 ( -0.000 -0.493 0.385) 0.626 7.921 ( -0.000 -0.219 -0.218) 0.309 8.118 ( -0.000 -1.865 2.396) 3.036 8.222 ( 0.000 4.901 -6.529) 8.164 8.749 ( -0.000 -3.205 6.310) 7.078 8.865 ( 0.000 3.426 -5.140) 6.178 9.285 ( 0.000 0.267 5.569) 5.575 9.412 ( -0.000 -0.693 -6.587) 6.623 10.094 ( -0.000 -2.411 8.656) 8.986 10.269 ( 0.000 0.086 -7.884) 7.884 ======================= Grid point 441 (136/171) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -1.244 -0.000 2.834) 3.095 0.891 ( -2.692 -0.000 -2.780) 3.870 1.208 ( 3.713 0.000 0.932) 3.828 1.229 ( 1.308 0.000 -1.034) 1.667 1.489 ( 6.802 0.000 0.223) 6.806 1.493 ( 7.112 0.000 -0.233) 7.116 2.058 ( 2.857 0.000 4.109) 5.004 2.156 ( 3.972 0.000 -4.314) 5.864 2.484 ( 3.296 0.000 11.044) 11.525 2.616 ( 1.250 0.000 -4.558) 4.726 2.772 ( 2.363 0.000 20.056) 20.194 2.955 ( 5.031 0.000 0.611) 5.068 2.979 ( 1.682 0.000 -2.650) 3.139 3.210 ( 6.053 0.000 -13.329) 14.639 3.343 ( 15.447 0.000 1.135) 15.488 3.347 ( 13.729 0.000 2.553) 13.965 3.479 ( 8.498 0.000 1.811) 8.689 3.583 ( -0.481 -0.000 -9.528) 9.540 6.600 ( 5.126 0.000 3.531) 6.225 6.652 ( 1.558 0.000 -1.691) 2.299 7.158 ( 7.768 0.000 -0.052) 7.768 7.172 ( 3.373 0.000 -1.307) 3.617 7.379 ( -1.578 -0.000 2.690) 3.118 7.431 ( -0.482 -0.000 -2.017) 2.074 7.576 ( 11.024 0.000 1.725) 11.158 7.598 ( 9.031 0.000 0.118) 9.032 8.064 ( -1.727 -0.000 2.147) 2.755 8.119 ( 0.144 0.000 -2.992) 2.995 8.431 ( 4.013 0.000 4.800) 6.257 8.532 ( 6.827 0.000 -4.416) 8.131 8.916 ( 6.704 0.000 6.748) 9.512 8.989 ( 4.961 0.000 -1.260) 5.119 9.057 ( -2.597 -0.000 -0.851) 2.733 9.069 ( -0.892 -0.000 -1.016) 1.352 9.619 ( -4.884 -0.000 16.497) 17.205 9.986 ( -1.526 -0.000 -16.362) 16.433 ======================= Grid point 442 (137/171) ======================= q-point: ( 0.21 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -1.150 -0.102 1.639) 2.005 0.840 ( -2.420 -0.193 -1.551) 2.881 1.243 ( 0.237 0.215 0.432) 0.538 1.254 ( 1.174 0.199 -0.602) 1.334 1.604 ( 5.046 0.565 0.248) 5.084 1.610 ( 5.076 0.668 -0.334) 5.131 2.054 ( -4.040 -0.532 4.018) 5.723 2.144 ( -5.416 -0.276 -4.378) 6.970 2.549 ( 4.437 0.133 8.373) 9.477 2.623 ( 0.875 0.032 -2.164) 2.335 2.811 ( 1.829 0.004 22.528) 22.602 3.037 ( 3.823 0.053 -0.222) 3.830 3.071 ( 6.181 -0.017 -2.406) 6.633 3.261 ( 0.651 -0.002 -9.778) 9.800 3.414 ( -0.597 0.042 1.786) 1.884 3.492 ( -0.447 0.092 -10.628) 10.637 3.734 ( 13.815 0.148 1.307) 13.877 3.773 ( 14.706 0.061 -1.850) 14.822 6.666 ( 0.356 0.751 1.338) 1.575 6.682 ( 3.627 0.368 0.325) 3.660 7.133 ( -4.119 -0.451 0.348) 4.158 7.157 ( -2.522 -0.355 -1.982) 3.227 7.342 ( -2.356 -0.125 3.310) 4.065 7.406 ( -1.646 -0.249 -2.495) 3.000 7.841 ( 12.511 0.120 5.621) 13.717 7.915 ( 16.724 0.044 -2.163) 16.863 8.034 ( -0.855 0.565 4.636) 4.748 8.118 ( 0.504 0.154 -3.308) 3.350 8.464 ( -0.254 0.061 5.830) 5.836 8.592 ( -0.539 0.217 -6.015) 6.043 9.029 ( 3.823 0.969 3.587) 5.331 9.057 ( 1.658 0.611 -0.159) 1.775 9.066 ( 2.449 -1.093 0.412) 2.713 9.104 ( 5.223 -0.717 -1.991) 5.636 9.555 ( -1.435 -0.170 19.670) 19.723 9.982 ( 0.945 -0.069 -18.445) 18.469 ======================= Grid point 443 (138/171) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -0.232 0.016 0.697) 0.734 0.804 ( -1.232 -0.543 -0.476) 1.428 1.237 ( -0.582 0.328 0.777) 1.024 1.256 ( -0.726 0.311 -0.909) 1.204 1.674 ( 2.665 1.709 0.914) 3.295 1.693 ( 3.513 -0.035 -0.810) 3.605 1.932 ( -7.086 -1.012 3.357) 7.907 2.001 ( -7.461 -0.258 -3.081) 8.076 2.645 ( 4.688 0.132 3.599) 5.911 2.662 ( 2.500 0.196 -0.466) 2.550 2.832 ( 0.126 -0.028 26.278) 26.278 3.116 ( 4.135 0.170 2.531) 4.851 3.188 ( 5.603 0.117 -4.003) 6.887 3.243 ( -2.378 -0.097 -1.857) 3.019 3.376 ( -3.064 -0.026 -1.780) 3.544 3.471 ( -0.995 0.156 -18.723) 18.750 3.951 ( 7.620 0.201 2.156) 7.921 3.989 ( 7.187 0.138 -1.353) 7.315 6.646 ( -2.062 1.197 4.101) 4.743 6.729 ( 1.077 0.761 -3.214) 3.474 7.089 ( -0.323 -1.092 1.086) 1.573 7.127 ( -0.368 -0.910 -2.491) 2.677 7.305 ( -1.196 -0.050 3.870) 4.051 7.383 ( -0.640 -0.264 -3.271) 3.344 7.959 ( -0.655 0.922 4.099) 4.252 8.048 ( -0.707 0.195 -4.125) 4.189 8.095 ( 7.071 0.228 12.215) 14.116 8.241 ( 9.708 0.229 -3.146) 10.208 8.438 ( -2.113 -0.006 4.258) 4.754 8.544 ( -3.182 0.148 -5.934) 6.735 9.058 ( 0.270 0.257 0.724) 0.814 9.064 ( 0.005 0.015 0.023) 0.028 9.151 ( 3.762 -0.272 2.116) 4.325 9.200 ( 3.752 -0.263 -2.278) 4.397 9.562 ( 1.594 -0.357 20.856) 20.920 10.012 ( 1.713 -0.143 -19.245) 19.322 ======================= Grid point 444 (139/171) ======================= q-point: ( 0.36 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.186 0.052 1.085) 1.102 0.808 ( 1.216 -0.081 -0.686) 1.398 1.222 ( -0.687 0.268 0.629) 0.970 1.235 ( -0.926 -0.235 -0.638) 1.149 1.678 ( -2.066 1.151 2.862) 3.712 1.725 ( -1.554 -1.032 -1.618) 2.469 1.870 ( 2.382 -0.028 1.963) 3.087 1.919 ( 0.270 -0.100 -2.437) 2.453 2.688 ( -0.308 0.118 0.104) 0.346 2.698 ( -0.247 0.055 -0.888) 0.924 2.827 ( -0.057 -0.125 30.378) 30.378 3.178 ( -3.363 -0.170 2.349) 4.106 3.193 ( 3.172 0.230 3.193) 4.507 3.263 ( -0.856 -0.042 -3.354) 3.462 3.323 ( 0.596 -0.035 -4.195) 4.237 3.457 ( -0.303 0.055 -22.106) 22.108 4.021 ( -0.449 0.004 1.929) 1.981 4.054 ( -0.466 -0.049 -1.095) 1.191 6.588 ( -2.959 -0.126 5.809) 6.520 6.714 ( -2.045 -0.095 -5.635) 5.995 7.118 ( 2.291 -0.211 1.119) 2.558 7.152 ( 2.181 -0.204 -1.998) 2.965 7.301 ( 0.876 0.495 4.261) 4.379 7.387 ( 1.058 0.191 -3.792) 3.942 7.921 ( -2.111 0.257 4.817) 5.266 8.020 ( -1.455 -0.416 -4.413) 4.665 8.172 ( -0.383 -0.003 14.700) 14.705 8.355 ( -1.527 -0.093 -3.939) 4.226 8.401 ( 1.511 0.370 3.560) 3.885 8.503 ( -0.258 -0.025 -5.963) 5.969 9.053 ( -0.521 -0.127 1.064) 1.191 9.064 ( 0.017 -0.036 -0.157) 0.162 9.194 ( 0.353 -0.078 2.032) 2.064 9.242 ( 0.418 0.060 -2.359) 2.397 9.593 ( 0.922 0.024 20.066) 20.087 10.036 ( 0.380 0.003 -19.167) 19.171 ======================= Grid point 445 (140/171) ======================= q-point: (-0.57 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 0.925 0.287 1.967) 2.192 0.838 ( 1.777 0.693 -1.545) 2.454 1.214 ( -0.176 -0.377 0.620) 0.746 1.227 ( -0.303 -0.808 -0.632) 1.069 1.599 ( -5.340 -1.085 3.724) 6.601 1.661 ( -4.744 -0.884 -2.149) 5.283 1.991 ( 8.543 1.015 0.951) 8.656 2.015 ( 8.401 0.157 -1.236) 8.493 2.634 ( -5.368 -0.285 3.147) 6.229 2.649 ( -3.128 -0.227 -0.445) 3.168 2.831 ( -0.226 -0.099 26.431) 26.432 3.103 ( -3.936 -0.274 2.594) 4.722 3.178 ( -5.382 -0.219 -4.258) 6.866 3.250 ( 1.966 0.148 -1.730) 2.623 3.377 ( 2.653 0.018 -1.851) 3.234 3.461 ( 0.688 -0.169 -18.584) 18.598 3.936 ( -8.211 -0.329 2.152) 8.495 3.975 ( -7.618 -0.379 -1.486) 7.770 6.550 ( -1.312 -2.159 5.482) 6.036 6.667 ( -2.919 -1.425 -5.040) 5.996 7.162 ( 2.349 1.174 1.073) 2.837 7.194 ( 2.038 1.343 -1.761) 3.010 7.331 ( 2.480 1.342 4.133) 5.004 7.417 ( 2.093 1.030 -3.946) 4.584 7.890 ( -1.241 -1.503 5.677) 6.002 8.008 ( -0.377 -1.420 -5.335) 5.533 8.081 ( -8.104 -0.271 12.058) 14.531 8.226 ( -9.973 -0.243 -3.312) 10.511 8.448 ( 1.925 0.402 3.795) 4.274 8.532 ( 2.358 -0.288 -4.150) 4.782 9.035 ( -1.917 -0.525 2.002) 2.821 9.063 ( -0.223 -0.015 -0.741) 0.774 9.170 ( -2.398 0.322 1.745) 2.983 9.217 ( -2.608 0.324 -2.426) 3.577 9.590 ( -0.856 0.612 19.595) 19.623 10.024 ( -1.396 0.260 -18.897) 18.950 ======================= Grid point 446 (141/171) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 1.158 0.382 2.355) 2.652 0.867 ( 1.593 0.745 -2.066) 2.713 1.213 ( -0.394 -0.859 0.436) 1.041 1.224 ( -0.785 -0.880 -0.586) 1.317 1.490 ( -6.794 -3.141 3.720) 8.359 1.558 ( -6.305 -1.321 -2.649) 6.965 2.123 ( 3.678 1.857 2.635) 4.891 2.179 ( 6.250 0.856 -2.557) 6.807 2.528 ( -4.587 -0.708 8.100) 9.335 2.612 ( 0.327 -0.474 -2.774) 2.833 2.808 ( -1.969 -0.158 22.361) 22.448 3.029 ( -3.595 -0.211 -0.220) 3.608 3.073 ( -5.346 0.041 -2.341) 5.836 3.261 ( -0.903 0.014 -9.461) 9.504 3.408 ( 0.349 -0.150 1.601) 1.646 3.481 ( 0.491 -0.266 -10.376) 10.391 3.715 ( -13.683 -0.481 1.597) 13.784 3.762 ( -14.191 -0.388 -2.320) 14.385 6.557 ( 0.390 -3.127 3.338) 4.591 6.619 ( -2.866 -1.892 -1.979) 3.963 7.197 ( 1.788 1.504 0.533) 2.397 7.217 ( 1.241 1.987 -1.290) 2.674 7.373 ( 2.322 1.498 3.544) 4.495 7.447 ( 1.183 1.238 -3.218) 3.645 7.821 ( -10.728 -0.761 5.159) 11.929 7.907 ( -15.416 -0.287 -2.963) 15.700 7.956 ( -0.915 -2.146 7.390) 7.750 8.080 ( 0.123 -1.344 -4.754) 4.942 8.464 ( -0.449 0.152 5.279) 5.300 8.566 ( 0.152 -0.593 -3.482) 3.536 8.963 ( -6.204 -1.158 5.451) 8.339 9.050 ( -1.171 0.087 -2.356) 2.632 9.117 ( -2.043 0.884 0.807) 2.368 9.151 ( -3.362 0.678 -2.207) 4.078 9.577 ( 0.545 0.580 18.611) 18.629 9.992 ( -1.265 0.278 -18.263) 18.309 ======================= Grid point 447 (142/171) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 1.095 0.114 2.569) 2.795 0.895 ( 1.473 -0.086 -2.428) 2.841 1.188 ( -3.655 -0.198 1.361) 3.905 1.205 ( -0.935 -0.827 -0.406) 1.312 1.376 ( -6.308 -4.350 2.171) 7.964 1.432 ( -7.224 -1.978 -2.696) 7.961 2.094 ( -4.675 1.207 3.583) 6.012 2.175 ( -5.501 0.600 -3.185) 6.385 2.484 ( -1.910 0.092 12.315) 12.463 2.644 ( 0.607 0.856 -5.397) 5.498 2.776 ( -1.108 -0.048 18.188) 18.221 2.970 ( -4.490 0.584 0.765) 4.592 2.981 ( -1.002 -0.019 -2.532) 2.723 3.199 ( -7.728 -0.332 -12.013) 14.288 3.337 ( -13.385 -0.093 1.425) 13.461 3.351 ( -12.650 0.155 2.214) 12.843 3.472 ( -8.679 -0.172 1.571) 8.821 3.580 ( 1.067 -0.113 -9.732) 9.791 6.560 ( -3.864 -1.490 2.239) 4.708 6.586 ( -0.602 -2.544 -0.465) 2.656 7.160 ( -10.086 0.138 1.270) 10.167 7.194 ( -5.580 0.862 -1.990) 5.986 7.385 ( -1.350 0.692 2.003) 2.513 7.422 ( -3.961 -0.302 -1.379) 4.205 7.575 ( -10.629 -0.158 1.624) 10.754 7.603 ( -6.990 -0.006 -0.592) 7.015 8.009 ( 3.100 -2.114 5.239) 6.444 8.121 ( 2.003 0.059 -4.987) 5.374 8.421 ( -3.870 -0.080 4.571) 5.990 8.519 ( -5.460 -0.179 -3.961) 6.747 8.823 ( -7.805 -2.280 12.622) 15.015 9.018 ( -1.950 0.548 -5.736) 6.083 9.093 ( 0.053 1.284 0.260) 1.311 9.113 ( 0.955 0.852 -1.553) 2.012 9.620 ( 3.925 0.004 16.179) 16.648 9.988 ( 1.189 0.051 -16.611) 16.653 ======================= Grid point 448 (143/171) ======================= q-point: (-0.36 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.476 -0.301 2.992) 3.045 0.924 ( 0.849 -1.024 -3.002) 3.283 1.079 ( -6.708 -0.071 5.595) 8.736 1.177 ( -2.555 -0.276 -3.387) 4.252 1.286 ( -5.360 -2.329 0.332) 5.854 1.311 ( -5.481 -1.896 -1.835) 6.083 1.974 ( -6.529 -0.249 3.054) 7.212 2.030 ( -8.132 -0.294 0.062) 8.138 2.383 ( -8.560 0.766 8.556) 12.127 2.550 ( -10.822 1.677 -7.346) 13.187 2.720 ( -5.688 1.401 20.068) 20.906 2.871 ( -15.960 -0.291 2.908) 16.225 2.918 ( -3.662 0.781 1.464) 4.020 2.960 ( -19.488 0.696 0.644) 19.511 3.007 ( 0.896 0.461 -3.541) 3.681 3.202 ( -3.457 0.244 -16.916) 17.267 3.423 ( -0.447 0.121 10.590) 10.600 3.631 ( 3.440 0.495 -10.627) 11.181 6.378 ( -19.752 -1.331 0.988) 19.822 6.403 ( -28.383 -1.673 -1.568) 28.476 6.849 ( -7.322 -1.078 5.162) 9.023 6.964 ( -11.598 -1.709 -5.865) 13.108 7.366 ( 0.032 -2.472 3.320) 4.140 7.429 ( 3.118 -1.475 -2.687) 4.372 7.533 ( 1.199 -0.578 1.861) 2.288 7.564 ( 0.378 0.079 -0.735) 0.831 8.064 ( 0.959 -1.444 2.804) 3.296 8.124 ( -2.006 0.656 -2.059) 2.949 8.333 ( -4.081 1.186 1.305) 4.446 8.371 ( -8.184 0.886 -2.248) 8.534 8.717 ( -4.004 -2.490 16.122) 16.797 8.972 ( -1.783 1.959 -8.226) 8.642 9.122 ( 3.203 0.795 1.486) 3.620 9.167 ( 4.387 0.631 -2.583) 5.130 9.722 ( 6.057 -0.574 14.306) 15.546 10.039 ( 3.896 -0.145 -14.310) 14.831 ======================= Grid point 449 (144/171) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -3.260 -0.848 4.200) 5.384 0.890 ( -3.393 2.359 2.461) 4.809 1.007 ( -0.257 -1.442 0.556) 1.567 1.093 ( -5.821 0.005 -4.844) 7.573 1.203 ( -3.804 0.284 0.792) 3.896 1.226 ( -3.339 0.851 -1.432) 3.732 1.853 ( -8.117 -1.424 5.547) 9.934 1.882 ( -6.583 -1.559 2.015) 7.059 2.133 ( -15.436 1.021 -1.507) 15.543 2.197 ( -21.084 1.331 -5.140) 21.742 2.538 ( -10.525 3.100 24.463) 26.811 2.614 ( -11.188 -0.259 2.308) 11.427 2.625 ( -8.981 0.277 1.281) 9.076 2.928 ( 0.923 0.544 6.289) 6.379 3.017 ( -0.397 1.757 -6.969) 7.198 3.160 ( -0.535 -0.234 -20.059) 20.067 3.434 ( 2.111 0.774 14.908) 15.077 3.701 ( 4.129 1.180 -11.581) 12.352 5.617 ( -46.184 -1.995 4.816) 46.477 5.765 ( -41.856 -3.898 -10.010) 43.212 6.861 ( 3.384 -0.919 1.275) 3.731 6.889 ( 0.986 -2.017 -1.219) 2.554 7.387 ( -0.313 -4.512 6.595) 7.997 7.495 ( 1.853 -1.695 -3.606) 4.394 7.559 ( 0.900 -1.358 1.453) 2.183 7.593 ( 2.123 -2.323 -1.423) 3.454 8.036 ( -5.007 -0.778 1.328) 5.238 8.050 ( -4.469 -1.926 -0.288) 4.874 8.207 ( -5.584 1.972 4.369) 7.359 8.298 ( 0.178 3.839 -4.290) 5.760 8.686 ( -0.581 -1.631 14.396) 14.499 8.936 ( -0.459 3.257 -9.174) 9.745 9.193 ( 4.010 0.455 2.888) 4.963 9.262 ( 5.161 0.077 -3.497) 6.235 9.854 ( 6.755 -1.195 13.285) 14.951 10.131 ( 5.084 -0.252 -12.075) 13.104 ======================= Grid point 450 (145/171) ======================= q-point: (-0.21 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -3.210 4.029 8.146) 9.638 0.844 ( -1.062 3.108 2.271) 3.993 0.969 ( -5.835 1.719 -3.607) 7.072 0.983 ( -4.002 1.288 -2.629) 4.959 1.150 ( 0.369 0.406 2.019) 2.093 1.201 ( 1.439 0.683 -2.272) 2.775 1.566 ( -17.532 0.798 8.411) 19.461 1.729 ( -16.273 -0.063 -6.298) 17.449 1.865 ( -3.228 -3.016 4.711) 6.458 1.979 ( -2.488 -0.391 -6.306) 6.790 2.371 ( -4.565 2.501 20.179) 20.840 2.441 ( -7.172 0.838 14.610) 16.297 2.484 ( -5.296 0.173 -2.882) 6.032 2.947 ( 1.069 0.187 7.008) 7.091 2.982 ( -1.337 2.293 -13.582) 13.839 3.174 ( 1.106 -0.638 -16.788) 16.836 3.523 ( 8.349 0.092 15.380) 17.501 3.788 ( 5.835 1.158 -10.897) 12.415 4.756 ( -39.123 -1.353 3.895) 39.340 4.888 ( -46.698 -3.758 -10.003) 47.905 6.933 ( 3.033 -0.278 0.649) 3.114 6.949 ( 3.092 -1.031 -0.661) 3.326 7.390 ( -1.564 -4.928 8.611) 10.044 7.509 ( -0.373 0.007 -3.010) 3.033 7.592 ( 1.109 -4.207 2.386) 4.962 7.666 ( 2.517 -6.419 -3.367) 7.673 7.944 ( -3.954 -1.073 0.918) 4.199 7.963 ( -4.560 -1.356 -0.891) 4.840 8.132 ( -1.580 1.784 8.125) 8.468 8.288 ( 0.653 4.433 -7.034) 8.340 8.698 ( 0.650 -1.712 12.130) 12.267 8.918 ( 0.321 3.787 -8.964) 9.736 9.261 ( 2.746 0.286 4.202) 5.028 9.356 ( 3.843 -0.732 -4.659) 6.084 9.987 ( 5.469 -2.327 12.115) 13.495 10.225 ( 3.864 -0.349 -10.058) 10.780 ======================= Grid point 451 (146/171) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 0.000 7.727 8.732) 11.660 0.810 ( 0.000 4.068 8.403) 9.336 0.872 ( 0.000 3.573 -5.983) 6.969 0.921 ( 0.000 1.114 -2.965) 3.167 1.178 ( -0.000 -0.609 2.493) 2.567 1.248 ( -0.000 -0.493 -2.849) 2.891 1.350 ( 0.000 0.411 7.545) 7.557 1.517 ( 0.000 0.905 -7.460) 7.515 1.872 ( -0.000 -3.866 4.668) 6.061 1.971 ( -0.000 -0.448 -5.528) 5.546 2.335 ( 0.000 3.557 34.294) 34.478 2.338 ( -0.000 -0.014 3.975) 3.975 2.429 ( -0.000 -0.085 -4.487) 4.488 2.950 ( 0.000 1.754 -14.055) 14.164 2.966 ( 0.000 0.463 4.938) 4.959 3.191 ( -0.000 -0.655 -15.563) 15.577 3.725 ( -0.000 -4.098 8.795) 9.703 3.901 ( 0.000 0.347 -8.356) 8.364 4.252 ( 0.000 1.118 2.529) 2.765 4.293 ( 0.000 0.436 -1.238) 1.313 6.964 ( 0.000 0.160 0.745) 0.762 6.988 ( -0.000 -0.279 -1.460) 1.486 7.394 ( -0.000 -3.614 7.779) 8.578 7.501 ( 0.000 0.521 -3.130) 3.173 7.636 ( -0.000 -6.992 4.230) 8.172 7.733 ( -0.000 -7.461 -3.462) 8.225 7.908 ( -0.000 -0.793 0.510) 0.943 7.917 ( -0.000 -0.507 -0.374) 0.630 8.112 ( 0.000 0.695 7.376) 7.409 8.272 ( 0.000 4.664 -7.685) 8.990 8.718 ( -0.000 -2.567 10.093) 10.414 8.903 ( 0.000 3.796 -8.031) 8.883 9.288 ( 0.000 0.265 5.028) 5.035 9.403 ( -0.000 -1.178 -5.800) 5.919 10.063 ( -0.000 -3.319 10.447) 10.961 10.268 ( -0.000 -0.278 -8.828) 8.832 ======================= Grid point 456 (147/171) ======================= q-point: ( 0.21 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -0.041 -0.000 0.532) 0.533 0.801 ( -1.350 -0.000 -0.322) 1.388 1.239 ( -0.609 -0.000 0.772) 0.983 1.257 ( -0.802 -0.000 -0.904) 1.209 1.688 ( 3.152 0.000 -0.005) 3.152 1.688 ( 2.787 0.000 -0.080) 2.788 1.927 ( -7.014 -0.000 3.611) 7.889 2.000 ( -7.390 -0.000 -3.226) 8.063 2.646 ( 4.656 0.000 3.694) 5.943 2.663 ( 2.489 0.000 -0.519) 2.542 2.832 ( 0.108 0.000 26.294) 26.294 3.117 ( 4.150 0.000 2.515) 4.852 3.188 ( 5.636 0.000 -3.995) 6.909 3.242 ( -2.422 -0.000 -1.852) 3.049 3.376 ( -3.097 -0.000 -1.778) 3.571 3.472 ( -1.013 -0.000 -18.769) 18.796 3.952 ( 7.577 0.000 2.152) 7.877 3.990 ( 7.160 0.000 -1.317) 7.280 6.652 ( -2.306 -0.000 4.005) 4.622 6.733 ( 0.953 0.000 -3.093) 3.236 7.083 ( -0.190 -0.000 1.097) 1.113 7.122 ( -0.290 -0.000 -2.577) 2.593 7.305 ( -1.109 -0.000 3.858) 4.014 7.381 ( -0.544 -0.000 -3.172) 3.218 7.964 ( -0.688 -0.000 3.930) 3.989 8.049 ( -0.785 -0.000 -3.942) 4.019 8.096 ( 6.950 0.000 12.188) 14.031 8.242 ( 9.699 0.000 -3.153) 10.198 8.438 ( -2.110 -0.000 4.241) 4.737 8.545 ( -3.247 -0.000 -6.014) 6.834 9.060 ( 0.110 0.000 0.640) 0.650 9.064 ( -0.038 -0.000 0.067) 0.077 9.150 ( 3.857 0.000 2.146) 4.414 9.198 ( 3.896 0.000 -2.277) 4.513 9.561 ( 1.652 0.000 20.949) 21.014 10.011 ( 1.734 0.000 -19.268) 19.346 ======================= Grid point 457 (148/171) ======================= q-point: ( 0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.191 0.025 1.032) 1.050 0.808 ( 1.556 -0.038 -0.636) 1.682 1.224 ( -0.715 0.178 0.385) 0.832 1.233 ( -1.295 -0.163 -0.428) 1.373 1.690 ( -3.173 0.987 1.915) 3.835 1.714 ( -1.308 -0.935 -0.519) 1.690 1.870 ( 2.940 -0.012 1.831) 3.463 1.918 ( 0.335 -0.045 -2.472) 2.495 2.689 ( -0.379 0.053 -0.029) 0.384 2.698 ( -0.312 0.024 -0.867) 0.922 2.826 ( -0.072 -0.056 30.569) 30.569 3.176 ( -3.572 -0.063 2.377) 4.291 3.195 ( 3.346 0.090 3.146) 4.593 3.262 ( -1.086 -0.020 -3.361) 3.533 3.323 ( 0.749 -0.016 -4.200) 4.266 3.458 ( -0.378 0.024 -22.194) 22.198 4.021 ( -0.561 0.002 1.929) 2.009 4.053 ( -0.580 -0.022 -1.042) 1.193 6.587 ( -3.681 -0.056 5.806) 6.875 6.713 ( -2.545 -0.042 -5.661) 6.207 7.116 ( 2.828 -0.091 1.100) 3.036 7.151 ( 2.687 -0.087 -2.020) 3.363 7.305 ( 1.169 0.218 4.238) 4.402 7.388 ( 1.292 0.081 -3.571) 3.799 7.923 ( -2.633 0.123 4.524) 5.236 8.017 ( -1.806 -0.193 -4.177) 4.555 8.172 ( -0.479 -0.001 14.691) 14.699 8.354 ( -1.756 -0.037 -3.873) 4.252 8.404 ( 1.726 0.161 3.324) 3.749 8.503 ( -0.324 -0.012 -5.857) 5.866 9.052 ( -0.635 -0.056 1.104) 1.275 9.063 ( 0.022 -0.016 -0.184) 0.186 9.193 ( 0.442 -0.034 2.090) 2.137 9.242 ( 0.510 0.027 -2.416) 2.469 9.594 ( 1.150 0.011 20.050) 20.082 10.036 ( 0.473 0.001 -19.165) 19.171 ======================= Grid point 458 (149/171) ======================= q-point: (-0.64 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 1.014 0.167 2.137) 2.371 0.844 ( 1.942 0.380 -1.673) 2.592 1.212 ( -0.469 -0.050 0.394) 0.614 1.220 ( -0.384 -0.611 -0.377) 0.814 1.591 ( -6.139 -0.514 3.852) 7.266 1.654 ( -4.693 -0.517 -2.108) 5.171 1.999 ( 8.866 0.524 0.609) 8.903 2.016 ( 8.552 0.059 -0.953) 8.605 2.632 ( -5.558 -0.170 3.223) 6.427 2.647 ( -3.318 -0.107 -0.561) 3.367 2.830 ( -0.207 -0.071 26.543) 26.544 3.101 ( -3.904 -0.149 2.565) 4.674 3.176 ( -5.382 -0.124 -4.328) 6.907 3.251 ( 1.924 0.080 -1.665) 2.546 3.378 ( 2.594 0.007 -1.871) 3.198 3.459 ( 0.626 -0.081 -18.683) 18.694 3.933 ( -8.309 -0.180 2.140) 8.582 3.972 ( -7.697 -0.223 -1.429) 7.831 6.532 ( -1.863 -1.198 5.719) 6.133 6.655 ( -3.234 -0.795 -5.367) 6.316 7.171 ( 2.620 0.541 1.194) 2.930 7.204 ( 2.500 0.681 -1.812) 3.161 7.344 ( 2.819 1.014 4.015) 5.009 7.426 ( 2.345 0.569 -3.661) 4.385 7.878 ( -1.854 -0.813 5.667) 6.018 7.995 ( -0.572 -0.906 -5.331) 5.437 8.078 ( -8.221 -0.145 12.004) 14.550 8.224 ( -10.012 -0.112 -3.418) 10.580 8.452 ( 1.845 0.249 3.609) 4.060 8.530 ( 2.238 -0.166 -3.721) 4.345 9.031 ( -2.062 -0.287 2.197) 3.026 9.063 ( -0.207 -0.008 -0.890) 0.914 9.172 ( -2.199 0.157 1.714) 2.793 9.220 ( -2.539 0.164 -2.464) 3.542 9.595 ( -0.752 0.338 19.387) 19.404 10.026 ( -1.339 0.145 -18.833) 18.882 ======================= Grid point 459 (150/171) ======================= q-point: (-0.57 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 1.073 0.257 2.530) 2.760 0.874 ( 1.347 0.509 -2.191) 2.622 1.205 ( -0.500 -0.624 0.456) 0.921 1.216 ( -0.519 -0.599 -0.604) 0.996 1.462 ( -7.554 -2.148 4.660) 9.132 1.546 ( -6.532 -0.903 -3.215) 7.336 2.140 ( 3.720 1.302 2.224) 4.526 2.186 ( 6.537 0.559 -2.102) 6.889 2.521 ( -4.642 -0.556 8.128) 9.377 2.607 ( 0.536 -0.380 -2.992) 3.063 2.807 ( -2.042 -0.131 22.388) 22.481 3.027 ( -3.557 -0.146 -0.266) 3.569 3.073 ( -5.114 0.026 -2.303) 5.609 3.261 ( -0.965 0.010 -9.351) 9.401 3.407 ( 0.302 -0.100 1.552) 1.584 3.478 ( 0.502 -0.163 -10.403) 10.416 3.711 ( -13.608 -0.317 1.589) 13.705 3.758 ( -14.076 -0.290 -2.313) 14.268 6.529 ( 0.480 -2.179 3.805) 4.412 6.602 ( -2.769 -1.334 -2.529) 3.980 7.210 ( 1.503 0.916 0.919) 1.985 7.235 ( 1.078 1.393 -1.426) 2.266 7.389 ( 2.180 1.497 3.255) 4.194 7.457 ( 0.806 0.789 -3.051) 3.253 7.813 ( -9.743 -0.699 5.220) 11.075 7.904 ( -14.795 -0.168 -3.086) 15.114 7.937 ( -2.006 -1.501 7.717) 8.113 8.068 ( 0.137 -0.995 -5.070) 5.169 8.465 ( -0.594 0.143 5.111) 5.147 8.561 ( 0.159 -0.375 -2.754) 2.784 8.953 ( -6.460 -0.693 5.758) 8.682 9.051 ( -1.049 0.086 -2.730) 2.925 9.125 ( -1.943 0.532 0.716) 2.138 9.157 ( -3.259 0.356 -2.173) 3.933 9.582 ( 0.323 0.386 18.410) 18.417 9.994 ( -1.345 0.192 -18.223) 18.274 ======================= Grid point 460 (151/171) ======================= q-point: (-0.50 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.759 -0.100 2.470) 2.586 0.894 ( 0.838 -0.198 -2.370) 2.522 1.189 ( -2.815 0.225 1.066) 3.019 1.198 ( -0.850 -0.453 -0.116) 0.970 1.333 ( -6.409 -3.953 3.381) 8.254 1.414 ( -7.446 -1.581 -3.627) 8.432 2.106 ( -5.293 0.962 3.368) 6.347 2.181 ( -5.978 0.440 -2.800) 6.616 2.485 ( -1.325 0.102 12.620) 12.690 2.651 ( 1.312 0.647 -5.640) 5.827 2.775 ( -0.823 -0.144 17.700) 17.720 2.976 ( -3.771 0.455 0.278) 3.809 2.980 ( -1.283 0.001 -2.009) 2.384 3.196 ( -8.150 -0.237 -11.619) 14.195 3.337 ( -13.133 -0.050 1.553) 13.225 3.353 ( -11.823 0.129 2.286) 12.043 3.471 ( -8.922 -0.104 1.347) 9.024 3.579 ( 1.331 -0.110 -9.823) 9.914 6.545 ( -3.017 -1.210 1.703) 3.670 6.561 ( -0.623 -2.164 0.066) 2.252 7.162 ( -11.003 0.143 1.698) 11.134 7.203 ( -6.484 0.749 -2.193) 6.886 7.393 ( -2.552 0.846 1.495) 3.077 7.419 ( -4.588 -0.329 -0.854) 4.679 7.574 ( -10.920 -0.115 1.524) 11.026 7.602 ( -6.593 -0.132 -0.786) 6.641 7.988 ( 3.570 -1.786 6.299) 7.458 8.122 ( 2.876 0.010 -5.957) 6.615 8.421 ( -3.719 0.062 4.495) 5.834 8.518 ( -4.966 -0.030 -3.690) 6.187 8.803 ( -8.214 -1.629 14.137) 16.431 9.023 ( -1.555 0.447 -6.270) 6.475 9.105 ( 0.071 1.029 -0.105) 1.037 9.120 ( 0.805 0.395 -1.454) 1.708 9.620 ( 3.621 -0.016 16.114) 16.516 9.988 ( 1.062 0.036 -16.697) 16.730 ======================= Grid point 461 (152/171) ======================= q-point: (-0.43 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -0.049 -0.925 2.572) 2.733 0.911 ( 0.431 -1.470 -2.777) 3.172 1.087 ( -5.975 1.505 5.511) 8.267 1.176 ( -2.080 0.077 -2.726) 3.430 1.261 ( -4.017 -2.618 0.132) 4.797 1.290 ( -4.959 -2.091 -2.343) 5.870 1.972 ( -7.385 -0.208 3.126) 8.022 2.026 ( -8.588 -0.306 0.193) 8.596 2.391 ( -8.260 0.796 9.421) 12.555 2.566 ( -10.779 1.481 -7.335) 13.122 2.732 ( -4.915 0.962 18.350) 19.021 2.869 ( -16.699 -0.124 2.823) 16.936 2.926 ( -2.634 0.660 1.863) 3.293 2.969 ( -19.779 0.903 0.663) 19.810 3.011 ( 1.659 0.409 -3.793) 4.160 3.204 ( -3.517 0.206 -16.063) 16.445 3.424 ( -0.133 0.080 10.727) 10.728 3.636 ( 3.800 0.427 -10.778) 11.437 6.365 ( -20.350 -1.183 0.659) 20.395 6.387 ( -28.296 -1.520 -1.564) 28.380 6.838 ( -7.628 -1.040 5.224) 9.304 6.947 ( -12.563 -1.627 -5.165) 13.680 7.343 ( -1.017 -1.889 3.759) 4.328 7.414 ( 2.000 -1.403 -2.911) 3.800 7.528 ( 1.129 -0.497 1.986) 2.338 7.564 ( 0.026 -0.113 -1.107) 1.113 8.050 ( 1.136 -1.285 4.069) 4.415 8.130 ( -2.712 0.414 -2.663) 3.823 8.347 ( -2.833 1.508 0.884) 3.329 8.380 ( -7.404 0.826 -2.224) 7.775 8.694 ( -3.496 -1.934 18.808) 19.227 8.990 ( -1.085 1.600 -9.323) 9.521 9.131 ( 3.001 0.880 1.129) 3.325 9.172 ( 4.075 0.234 -2.531) 4.803 9.716 ( 5.784 -0.531 14.364) 15.493 10.037 ( 3.803 -0.168 -14.545) 15.035 ======================= Grid point 462 (153/171) ======================= q-point: (-0.36 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -2.012 -0.647 3.606) 4.180 0.908 ( -1.529 0.567 -1.478) 2.201 0.999 ( -1.282 0.446 3.619) 3.865 1.095 ( -5.346 0.427 -4.223) 6.826 1.205 ( -2.086 0.125 0.800) 2.238 1.233 ( -2.401 0.403 -1.698) 2.968 1.836 ( -7.350 -1.611 4.887) 8.972 1.866 ( -8.239 -1.498 2.678) 8.792 2.147 ( -15.499 1.469 -0.990) 15.599 2.210 ( -21.407 1.136 -4.671) 21.940 2.570 ( -10.642 3.011 20.220) 23.047 2.611 ( -10.754 -0.268 3.432) 11.292 2.628 ( -8.942 0.334 3.007) 9.440 2.934 ( 0.805 0.668 6.244) 6.331 3.035 ( 0.186 1.669 -6.340) 6.559 3.158 ( -0.881 -0.181 -20.091) 20.111 3.442 ( 2.280 0.657 15.116) 15.301 3.714 ( 4.416 1.148 -11.746) 12.601 5.596 ( -46.320 -1.911 4.104) 46.541 5.724 ( -43.134 -3.900 -8.757) 44.187 6.851 ( 3.404 -1.028 1.277) 3.778 6.868 ( 1.393 -2.030 0.100) 2.464 7.340 ( -1.372 -4.259 7.208) 8.484 7.467 ( 1.627 -3.514 -4.797) 6.165 7.550 ( 0.496 -0.355 1.422) 1.547 7.576 ( 0.996 -1.040 -0.868) 1.681 8.027 ( -4.535 -0.931 1.110) 4.761 8.033 ( -5.383 -1.252 0.154) 5.529 8.229 ( -5.018 2.128 5.942) 8.063 8.335 ( 0.638 3.304 -4.595) 5.695 8.673 ( 0.045 -0.888 16.626) 16.649 8.968 ( 0.017 2.972 -10.632) 11.040 9.198 ( 3.854 0.510 2.332) 4.534 9.261 ( 4.729 -0.276 -3.373) 5.815 9.842 ( 6.360 -1.141 13.478) 14.947 10.128 ( 4.965 -0.368 -12.503) 13.458 ======================= Grid point 463 (154/171) ======================= q-point: (-0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -0.534 4.310 5.156) 6.742 0.875 ( -0.384 2.936 0.245) 2.971 0.978 ( -3.283 0.092 -2.567) 4.169 0.995 ( -3.798 1.079 -1.616) 4.266 1.166 ( -0.023 2.495 2.205) 3.330 1.210 ( 1.004 1.132 -1.731) 2.299 1.575 ( -17.204 0.782 8.360) 19.143 1.725 ( -13.654 -0.695 -4.943) 14.538 1.838 ( -6.295 -2.091 4.723) 8.143 1.974 ( -3.163 -0.611 -8.013) 8.637 2.393 ( -5.424 1.629 11.374) 12.706 2.454 ( -5.910 1.659 20.228) 21.139 2.486 ( -5.499 0.313 -0.307) 5.517 2.949 ( 0.925 0.251 7.749) 7.808 3.007 ( -1.208 2.453 -13.687) 13.957 3.167 ( 0.950 -0.710 -16.779) 16.821 3.523 ( 7.026 -0.052 15.988) 17.464 3.801 ( 5.493 1.232 -11.325) 12.647 4.742 ( -38.272 -1.377 3.295) 38.438 4.848 ( -44.948 -3.865 -7.764) 45.777 6.929 ( 3.662 -0.628 0.738) 3.788 6.938 ( 3.461 -1.033 0.071) 3.613 7.328 ( -2.544 -6.778 11.180) 13.319 7.498 ( -0.255 -2.788 -4.989) 5.720 7.562 ( 0.342 -1.933 1.435) 2.431 7.610 ( 1.173 -3.760 -2.563) 4.699 7.933 ( -3.885 -1.024 0.818) 4.100 7.949 ( -4.071 -1.184 -0.723) 4.301 8.155 ( -1.628 2.585 10.388) 10.828 8.329 ( 0.461 3.548 -7.078) 7.930 8.687 ( 0.754 -0.412 14.394) 14.420 8.957 ( 0.419 3.700 -10.699) 11.328 9.263 ( 2.614 0.148 3.484) 4.358 9.347 ( 3.338 -1.006 -4.182) 5.444 9.964 ( 4.808 -2.142 12.737) 13.782 10.220 ( 3.707 -0.626 -10.769) 11.407 ======================= Grid point 464 (155/171) ======================= q-point: (-0.21 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 7.278 4.922) 8.787 0.857 ( 0.000 4.777 6.051) 7.710 0.909 ( 0.000 3.165 -6.618) 7.336 0.934 ( 0.000 1.353 -1.989) 2.405 1.180 ( 0.000 1.396 3.668) 3.925 1.244 ( -0.000 -0.174 -1.671) 1.680 1.354 ( 0.000 0.484 8.108) 8.122 1.527 ( 0.000 1.131 -7.501) 7.586 1.830 ( -0.000 -4.196 5.959) 7.289 1.963 ( -0.000 -0.956 -7.877) 7.935 2.338 ( -0.000 -0.018 3.932) 3.932 2.374 ( 0.000 3.978 33.594) 33.829 2.428 ( -0.000 -0.108 -4.452) 4.453 2.960 ( 0.000 0.222 5.341) 5.346 2.981 ( 0.000 2.355 -13.858) 14.057 3.183 ( -0.000 -0.853 -15.455) 15.479 3.682 ( -0.000 -4.130 11.722) 12.429 3.902 ( -0.000 -0.156 -9.706) 9.707 4.265 ( 0.000 1.398 2.129) 2.547 4.298 ( 0.000 0.545 -0.897) 1.050 6.966 ( 0.000 0.224 0.490) 0.539 6.985 ( -0.000 -0.337 -1.232) 1.278 7.335 ( -0.000 -7.617 12.531) 14.664 7.501 ( -0.000 -0.900 -3.948) 4.049 7.581 ( -0.000 -3.735 1.827) 4.158 7.653 ( -0.000 -7.110 -3.855) 8.088 7.899 ( -0.000 -0.930 0.608) 1.110 7.911 ( -0.000 -0.722 -0.515) 0.887 8.128 ( 0.000 2.233 10.524) 10.758 8.315 ( 0.000 3.754 -7.915) 8.760 8.699 ( -0.000 -1.010 12.955) 12.995 8.942 ( 0.000 3.820 -10.130) 10.826 9.289 ( 0.000 0.055 4.270) 4.270 9.389 ( -0.000 -1.451 -4.943) 5.151 10.030 ( -0.000 -3.099 11.865) 12.263 10.263 ( -0.000 -0.705 -9.751) 9.777 ======================= Grid point 471 (156/171) ======================= q-point: (-0.71 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 1.046 0.000 2.196) 2.433 0.846 ( 2.003 0.000 -1.717) 2.638 1.212 ( -0.732 -0.000 0.211) 0.762 1.216 ( -0.258 -0.000 -0.184) 0.317 1.588 ( -6.451 -0.000 3.878) 7.527 1.651 ( -4.651 -0.000 -2.076) 5.093 2.002 ( 8.987 0.000 0.488) 9.000 2.016 ( 8.604 0.000 -0.855) 8.647 2.631 ( -5.635 -0.000 3.257) 6.508 2.646 ( -3.388 -0.000 -0.606) 3.442 2.830 ( -0.197 -0.000 26.591) 26.591 3.100 ( -3.893 -0.000 2.551) 4.655 3.176 ( -5.384 -0.000 -4.354) 6.924 3.252 ( 1.910 0.000 -1.638) 2.517 3.378 ( 2.574 0.000 -1.879) 3.187 3.459 ( 0.604 0.000 -18.728) 18.738 3.932 ( -8.343 -0.000 2.136) 8.612 3.971 ( -7.725 -0.000 -1.402) 7.851 6.526 ( -2.056 -0.000 5.802) 6.156 6.651 ( -3.345 -0.000 -5.483) 6.422 7.174 ( 2.709 0.000 1.246) 2.982 7.207 ( 2.668 0.000 -1.834) 3.238 7.349 ( 2.973 0.000 3.928) 4.927 7.429 ( 2.424 0.000 -3.494) 4.253 7.873 ( -2.096 -0.000 5.627) 6.005 7.991 ( -0.642 -0.000 -5.316) 5.355 8.078 ( -8.260 -0.000 11.986) 14.557 8.223 ( -10.024 -0.000 -3.461) 10.605 8.453 ( 1.812 0.000 3.536) 3.973 8.529 ( 2.198 0.000 -3.559) 4.183 9.030 ( -2.104 -0.000 2.263) 3.090 9.063 ( -0.198 -0.000 -0.944) 0.965 9.173 ( -2.131 -0.000 1.706) 2.730 9.221 ( -2.522 -0.000 -2.478) 3.535 9.597 ( -0.716 -0.000 19.313) 19.327 10.027 ( -1.319 -0.000 -18.811) 18.857 ======================= Grid point 473 (157/171) ======================= q-point: (-0.64 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 1.008 0.090 2.627) 2.815 0.877 ( 1.203 0.180 -2.260) 2.566 1.200 ( -0.591 -0.231 0.489) 0.801 1.212 ( -0.315 -0.209 -0.636) 0.740 1.447 ( -8.018 -0.763 5.192) 9.583 1.540 ( -6.660 -0.321 -3.516) 7.538 2.149 ( 3.766 0.472 1.964) 4.274 2.190 ( 6.710 0.194 -1.844) 6.961 2.517 ( -4.677 -0.215 8.173) 9.419 2.604 ( 0.631 -0.145 -3.124) 3.191 2.806 ( -2.088 -0.051 22.412) 22.510 3.026 ( -3.537 -0.052 -0.299) 3.550 3.073 ( -4.981 0.009 -2.279) 5.477 3.261 ( -0.999 0.004 -9.284) 9.337 3.406 ( 0.278 -0.035 1.524) 1.550 3.477 ( 0.508 -0.054 -10.435) 10.447 3.708 ( -13.560 -0.110 1.572) 13.651 3.756 ( -14.014 -0.108 -2.287) 14.200 6.513 ( 0.514 -0.780 4.063) 4.169 6.592 ( -2.721 -0.480 -2.834) 3.958 7.216 ( 1.419 0.307 1.168) 1.863 7.244 ( 0.997 0.485 -1.501) 1.865 7.401 ( 2.086 0.680 2.904) 3.639 7.462 ( 0.519 0.231 -2.789) 2.846 7.808 ( -9.041 -0.299 5.324) 10.497 7.903 ( -14.761 -0.008 -3.541) 15.180 7.926 ( -2.373 -0.578 8.193) 8.549 8.061 ( 0.079 -0.366 -5.247) 5.261 8.466 ( -0.669 0.058 5.017) 5.062 8.559 ( 0.179 -0.127 -2.336) 2.346 8.948 ( -6.586 -0.229 5.897) 8.843 9.051 ( -0.980 0.035 -2.926) 3.086 9.128 ( -1.888 0.176 0.659) 2.007 9.159 ( -3.222 0.107 -2.142) 3.871 9.585 ( 0.199 0.135 18.307) 18.309 9.995 ( -1.389 0.069 -18.202) 18.255 ======================= Grid point 474 (158/171) ======================= q-point: (-0.57 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.415 -0.143 2.418) 2.457 0.892 ( 0.323 -0.162 -2.357) 2.385 1.189 ( -1.021 -0.230 0.603) 1.207 1.199 ( -1.198 0.658 -0.336) 1.407 1.298 ( -7.138 -2.692 4.911) 9.073 1.401 ( -7.606 -0.875 -4.264) 8.763 2.113 ( -5.744 0.537 3.192) 6.593 2.184 ( -6.299 0.226 -2.513) 6.786 2.486 ( -0.877 0.066 12.803) 12.833 2.657 ( 1.829 0.346 -5.802) 6.094 2.774 ( -0.658 -0.119 17.402) 17.415 2.979 ( -1.012 0.048 -2.532) 2.728 2.981 ( -3.731 0.206 0.803) 3.822 3.194 ( -8.407 -0.120 -11.350) 14.125 3.336 ( -13.006 -0.020 1.667) 13.113 3.354 ( -11.183 0.070 2.373) 11.432 3.470 ( -9.153 -0.041 1.144) 9.224 3.578 ( 1.537 -0.069 -9.893) 10.012 6.536 ( -1.591 -0.615 1.212) 2.093 6.543 ( -1.467 -1.305 0.558) 2.041 7.163 ( -11.649 0.091 2.001) 11.820 7.209 ( -7.142 0.436 -2.331) 7.525 7.401 ( -4.477 0.713 0.930) 4.627 7.415 ( -3.880 -0.345 -0.334) 3.910 7.573 ( -11.168 -0.048 1.432) 11.259 7.600 ( -6.383 -0.136 -0.836) 6.439 7.974 ( 3.931 -1.020 7.036) 8.124 8.122 ( 3.487 -0.016 -6.714) 7.566 8.422 ( -3.565 0.082 4.434) 5.690 8.518 ( -4.618 0.021 -3.458) 5.769 8.791 ( -8.520 -0.846 15.140) 17.393 9.027 ( -1.313 0.258 -6.572) 6.707 9.114 ( 0.169 0.723 -0.519) 0.906 9.122 ( 0.674 -0.031 -1.229) 1.402 9.620 ( 3.411 -0.016 16.080) 16.438 9.988 ( 0.971 0.018 -16.757) 16.785 ======================= Grid point 475 (159/171) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -0.474 -0.929 2.221) 2.453 0.896 ( -0.178 -1.338 -2.612) 2.940 1.108 ( -5.060 2.507 4.942) 7.504 1.179 ( -1.394 0.417 -1.733) 2.263 1.232 ( -2.569 -2.885 0.055) 3.863 1.270 ( -5.170 -1.708 -2.912) 6.175 1.970 ( -8.010 -0.139 3.175) 8.617 2.024 ( -9.002 -0.235 0.330) 9.011 2.399 ( -7.997 0.601 10.055) 12.862 2.579 ( -10.762 1.009 -7.292) 13.039 2.739 ( -4.421 0.491 17.007) 17.579 2.868 ( -17.388 0.002 2.644) 17.587 2.931 ( -1.611 0.427 2.364) 2.892 2.978 ( -20.052 0.814 0.732) 20.082 3.015 ( 2.342 0.262 -4.107) 4.735 3.206 ( -3.520 0.134 -15.406) 15.804 3.424 ( 0.096 0.036 10.840) 10.841 3.640 ( 4.081 0.284 -10.907) 11.649 6.355 ( -20.813 -0.816 0.390) 20.832 6.373 ( -28.195 -1.053 -1.541) 28.257 6.828 ( -7.894 -0.754 5.318) 9.548 6.932 ( -13.309 -1.161 -4.509) 14.100 7.327 ( -1.814 -1.171 3.874) 4.435 7.401 ( 0.872 -1.009 -3.016) 3.298 7.524 ( 1.132 -0.304 2.006) 2.323 7.562 ( -0.086 -0.157 -1.350) 1.362 8.039 ( 1.324 -0.875 5.003) 5.249 8.133 ( -3.274 0.167 -3.147) 4.544 8.363 ( -1.653 1.381 0.101) 2.157 8.387 ( -7.041 0.489 -2.024) 7.343 8.678 ( -3.037 -1.233 21.129) 21.381 9.004 ( -0.530 1.078 -9.787) 9.860 9.140 ( 2.896 0.799 0.475) 3.041 9.172 ( 3.777 -0.122 -2.374) 4.463 9.711 ( 5.570 -0.377 14.412) 15.456 10.036 ( 3.710 -0.135 -14.729) 15.189 ======================= Grid point 476 (160/171) ======================= q-point: (-0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -0.547 -0.406 2.421) 2.515 0.899 ( -0.405 -1.799 -3.287) 3.769 1.019 ( -2.200 3.065 4.472) 5.851 1.100 ( -5.153 0.616 -3.269) 6.133 1.206 ( -0.510 0.009 0.715) 0.878 1.233 ( -1.026 -0.341 -1.673) 1.992 1.822 ( -7.393 -1.204 4.349) 8.662 1.851 ( -9.192 -1.422 3.280) 9.863 2.162 ( -15.179 1.474 -0.746) 15.269 2.219 ( -21.891 0.762 -3.938) 22.255 2.597 ( -11.598 2.135 10.962) 16.101 2.609 ( -9.454 -0.053 6.612) 11.537 2.632 ( -9.043 0.376 7.772) 11.930 2.941 ( 0.707 0.623 6.280) 6.350 3.050 ( 0.717 1.279 -5.848) 6.029 3.157 ( -1.206 -0.083 -20.137) 20.173 3.447 ( 2.380 0.431 15.344) 15.533 3.724 ( 4.671 0.893 -11.934) 12.847 5.579 ( -46.427 -1.473 3.466) 46.580 5.688 ( -44.173 -3.100 -7.537) 44.919 6.840 ( 2.681 -1.057 1.650) 3.321 6.850 ( 2.459 -1.450 0.935) 3.004 7.302 ( -2.337 -3.076 6.928) 7.932 7.430 ( 0.561 -3.398 -5.045) 6.108 7.549 ( 0.742 0.108 1.174) 1.393 7.568 ( 0.660 -0.568 -0.495) 1.002 8.017 ( -3.794 -0.977 1.177) 4.091 8.024 ( -6.383 -0.617 0.167) 6.415 8.250 ( -4.519 1.831 7.052) 8.574 8.364 ( 0.753 2.403 -4.776) 5.399 8.667 ( 0.817 -0.282 18.577) 18.597 8.996 ( 0.461 2.317 -11.205) 11.452 9.204 ( 3.693 0.674 1.343) 3.987 9.256 ( 4.301 -0.676 -3.193) 5.399 9.831 ( 6.056 -0.898 13.615) 14.928 10.124 ( 4.823 -0.369 -12.845) 13.725 ======================= Grid point 477 (161/171) ======================= q-point: (-0.36 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 1.318 3.061 2.300) 4.049 0.897 ( 0.259 0.895 -2.553) 2.718 0.979 ( -1.876 0.835 0.791) 2.200 1.006 ( -3.934 0.907 -0.902) 4.137 1.196 ( 0.838 3.200 1.379) 3.584 1.225 ( 1.035 1.720 -1.112) 2.295 1.581 ( -16.418 0.470 8.249) 18.380 1.714 ( -10.031 -1.433 -2.784) 10.508 1.824 ( -10.474 -0.637 3.341) 11.013 1.967 ( -4.179 -0.769 -9.063) 10.010 2.404 ( -6.418 0.675 5.400) 8.414 2.471 ( -4.851 1.446 13.907) 14.799 2.492 ( -5.448 0.940 11.475) 12.738 2.952 ( 0.676 0.282 7.987) 8.020 3.031 ( -1.044 2.161 -13.211) 13.427 3.160 ( 0.777 -0.631 -16.922) 16.952 3.522 ( 5.789 -0.194 16.655) 17.634 3.813 ( 5.093 1.049 -11.820) 12.913 4.729 ( -37.407 -1.128 2.733) 37.524 4.811 ( -43.082 -3.192 -5.755) 43.581 6.918 ( 4.488 -1.350 1.910) 5.061 6.931 ( 3.643 -0.392 -0.034) 3.664 7.262 ( -3.828 -5.746 11.368) 13.300 7.451 ( -0.702 -5.486 -6.705) 8.692 7.553 ( 0.051 -0.011 1.692) 1.693 7.588 ( 0.705 -0.992 -1.512) 1.941 7.923 ( -3.867 -0.862 0.752) 4.033 7.938 ( -3.796 -0.955 -0.641) 3.966 8.182 ( -1.521 2.625 11.752) 12.137 8.360 ( 0.121 2.426 -6.562) 6.997 8.689 ( 1.111 0.656 15.968) 16.020 8.993 ( 0.550 3.242 -11.460) 11.923 9.264 ( 2.441 0.235 2.393) 3.427 9.335 ( 2.898 -1.312 -3.794) 4.951 9.944 ( 4.362 -1.698 13.086) 13.898 10.213 ( 3.523 -0.714 -11.329) 11.885 ======================= Grid point 478 (162/171) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 4.970 2.333) 5.490 0.905 ( 0.000 4.492 3.615) 5.766 0.929 ( 0.000 0.639 -5.854) 5.889 0.948 ( 0.000 1.329 -0.981) 1.652 1.210 ( 0.000 4.355 2.947) 5.259 1.248 ( 0.000 1.210 -0.701) 1.399 1.359 ( 0.000 0.449 8.836) 8.847 1.539 ( 0.000 1.132 -7.537) 7.621 1.788 ( -0.000 -3.895 6.777) 7.817 1.950 ( -0.000 -1.567 -9.563) 9.690 2.338 ( -0.000 -0.019 3.883) 3.883 2.414 ( 0.000 3.664 33.086) 33.288 2.427 ( -0.000 -0.111 -4.412) 4.414 2.960 ( -0.000 -0.030 8.246) 8.246 3.007 ( 0.000 2.484 -16.052) 16.244 3.174 ( -0.000 -0.875 -15.462) 15.487 3.642 ( -0.000 -3.473 14.206) 14.625 3.899 ( -0.000 -0.449 -10.754) 10.763 4.280 ( 0.000 1.401 1.683) 2.190 4.304 ( 0.000 0.547 -0.519) 0.754 6.968 ( 0.000 0.252 0.200) 0.322 6.981 ( -0.000 -0.325 -0.972) 1.025 7.249 ( -0.000 -8.428 15.117) 17.308 7.470 ( -0.000 -5.317 -6.808) 8.639 7.556 ( -0.000 -1.080 1.807) 2.105 7.604 ( -0.000 -2.393 -2.413) 3.399 7.889 ( -0.000 -0.899 0.660) 1.115 7.903 ( -0.000 -0.787 -0.614) 0.999 8.154 ( 0.000 2.780 12.268) 12.579 8.348 ( 0.000 2.595 -7.312) 7.759 8.697 ( 0.000 0.517 14.729) 14.738 8.981 ( 0.000 3.629 -11.277) 11.846 9.289 ( -0.000 -0.045 3.257) 3.258 9.373 ( -0.000 -1.645 -4.262) 4.568 10.001 ( -0.000 -2.464 12.641) 12.879 10.254 ( -0.000 -0.917 -10.492) 10.532 ======================= Grid point 487 (163/171) ======================= q-point: (-0.64 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.269 0.000 2.404) 2.419 0.891 ( 0.123 0.000 -2.359) 2.363 1.187 ( -0.708 -0.000 0.602) 0.929 1.204 ( -0.441 -0.000 -1.122) 1.206 1.283 ( -7.920 -0.000 6.002) 9.938 1.396 ( -7.663 -0.000 -4.490) 8.881 2.116 ( -5.911 -0.000 3.122) 6.685 2.185 ( -6.412 -0.000 -2.405) 6.848 2.486 ( -0.708 -0.000 12.862) 12.882 2.658 ( 2.019 0.000 -5.859) 6.198 2.773 ( -0.606 -0.000 17.303) 17.314 2.979 ( -0.504 -0.000 -3.001) 3.044 2.983 ( -4.126 -0.000 1.267) 4.316 3.194 ( -8.492 -0.000 -11.253) 14.098 3.336 ( -12.971 -0.000 1.712) 13.083 3.354 ( -10.940 -0.000 2.412) 11.203 3.470 ( -9.248 -0.000 1.062) 9.309 3.578 ( 1.615 0.000 -9.919) 10.050 6.533 ( 0.785 0.000 0.815) 1.131 6.536 ( -3.634 -0.000 0.957) 3.758 7.163 ( -11.881 -0.000 2.111) 12.067 7.211 ( -7.379 -0.000 -2.379) 7.753 7.406 ( -7.110 -0.000 0.575) 7.133 7.413 ( -1.680 -0.000 -0.017) 1.680 7.573 ( -11.259 -0.000 1.396) 11.345 7.600 ( -6.321 -0.000 -0.828) 6.375 7.968 ( 4.069 0.000 7.297) 8.354 8.121 ( 3.705 0.000 -7.000) 7.920 8.422 ( -3.499 -0.000 4.408) 5.628 8.519 ( -4.492 -0.000 -3.366) 5.613 8.786 ( -8.634 -0.000 15.492) 17.735 9.028 ( -1.228 -0.000 -6.670) 6.782 9.119 ( -0.374 -0.000 -0.956) 1.026 9.120 ( 1.212 0.000 -0.859) 1.486 9.620 ( 3.337 0.000 16.070) 16.412 9.988 ( 0.937 0.000 -16.779) 16.805 ======================= Grid point 489 (164/171) ======================= q-point: (-0.57 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -0.646 -0.376 1.988) 2.124 0.886 ( -0.602 -0.538 -2.530) 2.656 1.132 ( -4.769 1.712 4.553) 6.812 1.185 ( -0.852 0.970 -0.875) 1.560 1.203 ( -1.288 -2.518 0.035) 2.829 1.257 ( -5.646 -0.678 -3.497) 6.676 1.969 ( -8.334 -0.049 3.198) 8.927 2.022 ( -9.251 -0.088 0.417) 9.261 2.403 ( -7.844 0.223 10.390) 13.020 2.586 ( -10.759 0.357 -7.258) 12.983 2.742 ( -4.207 0.141 16.279) 16.815 2.869 ( -17.783 0.018 2.505) 17.958 2.934 ( -1.021 0.147 2.691) 2.882 2.984 ( -20.324 0.335 0.871) 20.345 3.016 ( 2.896 0.084 -4.392) 5.261 3.207 ( -3.501 0.046 -15.055) 15.457 3.425 ( 0.213 0.008 10.906) 10.908 3.642 ( 4.233 0.099 -10.981) 11.769 6.349 ( -21.082 -0.291 0.242) 21.086 6.366 ( -28.106 -0.376 -1.523) 28.150 6.823 ( -8.048 -0.275 5.387) 9.689 6.924 ( -13.710 -0.420 -4.117) 14.321 7.319 ( -2.236 -0.396 3.859) 4.478 7.394 ( 0.183 -0.367 -3.059) 3.086 7.521 ( 1.132 -0.098 1.990) 2.291 7.561 ( -0.091 -0.070 -1.457) 1.462 8.033 ( 1.441 -0.309 5.488) 5.682 8.134 ( -3.573 0.035 -3.399) 4.932 8.374 ( -0.461 0.623 -0.744) 1.075 8.390 ( -7.417 0.094 -1.664) 7.602 8.669 ( -2.763 -0.425 22.543) 22.715 9.012 ( -0.226 0.383 -9.892) 9.902 9.146 ( 2.911 0.388 -0.128) 2.940 9.170 ( 3.547 -0.164 -2.154) 4.153 9.708 ( 5.452 -0.137 14.441) 15.436 10.035 ( 3.652 -0.052 -14.829) 15.272 ======================= Grid point 490 (165/171) ======================= q-point: (-0.50 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 0.421 -0.207 1.364) 1.442 0.881 ( -0.238 -1.462 -2.943) 3.295 1.050 ( -2.491 2.611 3.134) 4.779 1.106 ( -5.200 0.442 -2.363) 5.728 1.206 ( 0.824 0.012 0.515) 0.972 1.227 ( 0.241 -0.728 -1.303) 1.512 1.813 ( -7.445 -0.546 3.745) 8.352 1.838 ( -9.963 -0.976 3.972) 10.770 2.175 ( -14.658 0.946 -0.749) 14.708 2.225 ( -22.437 0.344 -3.203) 22.667 2.605 ( -12.171 -0.024 0.520) 12.183 2.617 ( -8.474 0.997 5.786) 10.310 2.636 ( -9.321 0.390 18.080) 20.345 2.946 ( 0.646 0.381 6.346) 6.390 3.060 ( 1.087 0.681 -5.568) 5.713 3.156 ( -1.434 -0.008 -20.153) 20.204 3.450 ( 2.420 0.197 15.529) 15.718 3.731 ( 4.847 0.483 -12.088) 13.032 5.567 ( -46.490 -0.795 3.029) 46.595 5.663 ( -44.826 -1.701 -6.665) 45.351 6.830 ( 1.420 -0.780 2.488) 2.969 6.839 ( 3.930 -0.624 0.907) 4.081 7.278 ( -2.928 -1.575 6.452) 7.258 7.402 ( -0.273 -1.963 -4.990) 5.369 7.551 ( 1.232 0.188 0.861) 1.515 7.564 ( 0.313 -0.367 -0.195) 0.520 8.009 ( -3.736 -0.532 1.336) 4.003 8.020 ( -6.574 -0.324 0.058) 6.582 8.265 ( -4.170 1.062 7.648) 8.775 8.383 ( 0.672 1.248 -4.868) 5.070 8.666 ( 1.494 0.007 19.971) 20.027 9.014 ( 0.769 1.269 -11.147) 11.245 9.212 ( 3.673 0.776 0.085) 3.755 9.248 ( 3.893 -0.833 -2.851) 4.897 9.824 ( 5.865 -0.497 13.696) 14.907 10.121 ( 4.709 -0.231 -13.064) 13.889 ======================= Grid point 491 (166/171) ======================= q-point: (-0.43 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 2.240 1.516 0.428) 2.738 0.894 ( 0.878 -1.104 -2.891) 3.217 0.997 ( -2.041 2.140 1.299) 3.230 1.013 ( -3.899 0.588 -0.360) 3.960 1.227 ( 2.127 2.521 0.904) 3.420 1.243 ( 1.752 1.680 -0.541) 2.487 1.584 ( -15.384 0.042 8.202) 17.434 1.699 ( -7.561 -1.308 -1.180) 7.763 1.823 ( -13.421 0.155 1.879) 13.553 1.959 ( -5.425 -0.719 -9.481) 10.946 2.409 ( -6.885 0.243 3.492) 7.724 2.480 ( -5.168 0.381 -0.588) 5.215 2.506 ( -4.611 1.415 27.499) 27.919 2.955 ( 0.439 0.238 8.047) 8.062 3.050 ( -0.910 1.480 -12.580) 12.700 3.155 ( 0.625 -0.423 -17.209) 17.226 3.520 ( 4.858 -0.223 17.239) 17.912 3.822 ( 4.728 0.686 -12.262) 13.159 4.719 ( -36.707 -0.718 2.311) 36.786 4.784 ( -41.528 -2.044 -4.315) 41.801 6.904 ( 4.899 -1.162 3.176) 5.953 6.928 ( 3.981 -0.212 -0.275) 3.996 7.213 ( -4.804 -3.536 10.512) 12.087 7.400 ( -1.412 -4.173 -6.837) 8.133 7.556 ( 0.013 0.422 1.428) 1.489 7.582 ( 0.747 -0.462 -0.961) 1.301 7.916 ( -3.867 -0.580 0.713) 3.975 7.930 ( -3.658 -0.635 -0.600) 3.761 8.207 ( -1.375 1.962 12.490) 12.718 8.379 ( -0.246 1.300 -5.776) 5.926 8.698 ( 1.552 1.011 16.947) 17.048 9.021 ( 0.680 2.224 -11.352) 11.588 9.269 ( 2.310 0.662 0.845) 2.547 9.320 ( 2.546 -1.543 -3.370) 4.497 9.929 ( 4.096 -1.099 13.251) 13.913 10.206 ( 3.369 -0.563 -11.711) 12.199 ======================= Grid point 492 (167/171) ======================= q-point: (-0.36 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.000 2.572 0.682) 2.661 0.924 ( -0.000 -1.243 -3.613) 3.821 0.946 ( 0.000 3.291 1.544) 3.635 0.961 ( 0.000 1.189 -0.177) 1.202 1.255 ( 0.000 3.315 1.584) 3.674 1.275 ( 0.000 4.360 -0.815) 4.435 1.363 ( 0.000 0.331 9.605) 9.611 1.550 ( 0.000 0.908 -7.559) 7.613 1.752 ( -0.000 -2.897 6.963) 7.542 1.931 ( -0.000 -2.082 -10.399) 10.605 2.337 ( -0.000 -0.017 3.839) 3.839 2.426 ( -0.000 -0.091 -4.376) 4.377 2.447 ( 0.000 2.786 32.784) 32.902 2.960 ( -0.000 -0.028 8.617) 8.617 3.030 ( 0.000 1.972 -15.699) 15.823 3.166 ( -0.000 -0.700 -15.629) 15.645 3.611 ( -0.000 -2.467 16.010) 16.199 3.894 ( -0.000 -0.471 -11.495) 11.505 4.293 ( 0.000 1.126 1.278) 1.704 4.309 ( 0.000 0.439 -0.179) 0.474 6.971 ( 0.000 0.224 -0.068) 0.235 6.978 ( -0.000 -0.252 -0.731) 0.774 7.172 ( -0.000 -6.455 15.783) 17.052 7.408 ( -0.000 -5.918 -7.746) 9.748 7.554 ( 0.000 0.284 1.816) 1.838 7.592 ( -0.000 -0.568 -1.625) 1.722 7.881 ( -0.000 -0.708 0.674) 0.977 7.895 ( -0.000 -0.671 -0.669) 0.947 8.182 ( 0.000 2.507 13.190) 13.426 8.369 ( 0.000 1.433 -6.177) 6.341 8.708 ( 0.000 1.373 15.694) 15.754 9.015 ( 0.000 2.914 -11.463) 11.827 9.290 ( 0.000 0.267 1.825) 1.845 9.355 ( -0.000 -1.824 -3.732) 4.154 9.980 ( -0.000 -1.713 12.984) 13.096 10.245 ( -0.000 -0.842 -11.025) 11.057 ======================= Grid point 503 (168/171) ======================= q-point: (-0.57 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.744 0.000 0.951) 1.208 0.873 ( -0.234 -0.000 -2.717) 2.727 1.065 ( -2.688 -0.000 2.412) 3.611 1.109 ( -5.255 -0.000 -1.977) 5.614 1.206 ( 1.445 0.000 0.381) 1.494 1.222 ( 0.772 0.000 -1.013) 1.274 1.810 ( -7.351 -0.000 3.366) 8.085 1.833 ( -10.380 -0.000 4.392) 11.271 2.180 ( -14.366 -0.000 -0.802) 14.388 2.227 ( -22.723 -0.000 -2.878) 22.905 2.605 ( -11.635 -0.000 1.383) 11.717 2.622 ( -8.767 -0.000 -1.845) 8.959 2.639 ( -9.527 -0.000 24.493) 26.280 2.948 ( 0.626 0.000 6.378) 6.409 3.064 ( 1.217 0.000 -5.488) 5.621 3.156 ( -1.513 -0.000 -20.148) 20.205 3.451 ( 2.428 0.000 15.602) 15.790 3.734 ( 4.909 0.000 -12.147) 13.102 5.563 ( -46.510 -0.000 2.873) 46.599 5.654 ( -45.046 -0.000 -6.350) 45.491 6.826 ( 1.112 0.000 2.823) 3.034 6.836 ( 4.306 0.000 0.852) 4.389 7.270 ( -3.120 -0.000 6.243) 6.979 7.392 ( -0.566 -0.000 -4.947) 4.979 7.552 ( 1.622 0.000 0.690) 1.763 7.562 ( -0.017 -0.000 -0.037) 0.040 8.006 ( -3.725 -0.000 1.399) 3.979 8.018 ( -6.624 -0.000 0.016) 6.624 8.270 ( -4.043 -0.000 7.826) 8.809 8.390 ( 0.609 0.000 -4.893) 4.930 8.666 ( 1.768 0.000 20.483) 20.559 9.021 ( 0.876 0.000 -11.016) 11.051 9.217 ( 3.772 0.000 -0.655) 3.828 9.243 ( 3.639 0.000 -2.536) 4.436 9.821 ( 5.799 0.000 13.723) 14.898 10.120 ( 4.666 0.000 -13.140) 13.944 ======================= Grid point 505 (169/171) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 2.576 0.436 -0.486) 2.657 0.883 ( 1.101 -0.631 -2.037) 2.400 1.014 ( -2.373 0.971 0.320) 2.584 1.018 ( -3.859 0.199 -0.010) 3.864 1.246 ( 2.747 1.028 0.674) 3.009 1.256 ( 2.688 0.640 -0.039) 2.763 1.583 ( -14.690 -0.079 8.242) 16.844 1.689 ( -6.530 -0.487 -0.675) 6.583 1.825 ( -14.626 0.151 1.177) 14.674 1.953 ( -6.378 -0.306 -9.535) 11.476 2.410 ( -7.040 0.061 3.015) 7.659 2.482 ( -5.414 0.077 -3.648) 6.529 2.516 ( -4.193 0.576 30.830) 31.119 2.956 ( 0.298 0.095 8.055) 8.061 3.060 ( -0.831 0.526 -12.124) 12.164 3.152 ( 0.535 -0.146 -17.471) 17.480 3.518 ( 4.364 -0.099 17.587) 18.121 3.827 ( 4.509 0.236 -12.522) 13.312 4.714 ( -36.315 -0.244 2.087) 36.376 4.770 ( -40.652 -0.697 -3.581) 40.815 6.896 ( 5.066 -0.453 3.934) 6.430 6.926 ( 4.180 -0.075 -0.421) 4.202 7.189 ( -5.277 -1.166 9.790) 11.183 7.370 ( -1.827 -1.494 -6.775) 7.175 7.560 ( -0.039 0.238 1.172) 1.196 7.578 ( 0.881 -0.215 -0.599) 1.087 7.912 ( -3.869 -0.205 0.694) 3.936 7.926 ( -3.602 -0.224 -0.580) 3.655 8.221 ( -1.273 0.729 12.798) 12.882 8.388 ( -0.482 0.389 -5.203) 5.240 8.707 ( 1.852 0.476 17.428) 17.533 9.037 ( 0.754 0.779 -10.925) 10.978 9.277 ( 2.320 0.798 -0.770) 2.571 9.305 ( 2.272 -1.126 -2.727) 3.724 9.922 ( 3.971 -0.383 13.314) 13.899 10.202 ( 3.282 -0.214 -11.906) 12.352 ======================= Grid point 506 (170/171) ======================= q-point: (-0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.000 0.993 -0.398) 1.070 0.910 ( -0.000 -1.211 -1.765) 2.140 0.966 ( 0.000 0.790 0.698) 1.054 0.976 ( 0.000 1.633 -0.228) 1.649 1.281 ( 0.000 1.993 1.660) 2.594 1.319 ( 0.000 3.323 -1.723) 3.743 1.366 ( 0.000 0.171 10.215) 10.217 1.557 ( 0.000 0.504 -7.569) 7.586 1.730 ( -0.000 -1.352 6.359) 6.501 1.911 ( -0.000 -1.729 -10.497) 10.639 2.337 ( -0.000 -0.010 3.808) 3.808 2.425 ( -0.000 -0.051 -4.351) 4.351 2.469 ( 0.000 1.500 32.643) 32.678 2.960 ( 0.000 0.001 8.662) 8.662 3.046 ( 0.000 1.091 -15.164) 15.203 3.161 ( -0.000 -0.381 -15.876) 15.881 3.592 ( -0.000 -1.282 17.095) 17.143 3.890 ( -0.000 -0.289 -11.946) 11.950 4.302 ( 0.000 0.626 0.997) 1.177 4.313 ( 0.000 0.244 0.056) 0.250 6.973 ( 0.000 0.134 -0.259) 0.292 6.976 ( -0.000 -0.137 -0.560) 0.577 7.121 ( -0.000 -3.397 15.758) 16.120 7.359 ( -0.000 -3.395 -7.860) 8.562 7.558 ( 0.000 0.351 1.613) 1.651 7.588 ( -0.000 -0.232 -1.186) 1.208 7.875 ( -0.000 -0.389 0.668) 0.773 7.890 ( -0.000 -0.387 -0.690) 0.791 8.203 ( 0.000 1.495 13.615) 13.697 8.379 ( 0.000 0.559 -5.128) 5.159 8.721 ( 0.000 1.131 16.194) 16.233 9.038 ( 0.000 1.597 -10.992) 11.107 9.296 ( 0.000 0.865 0.024) 0.865 9.336 ( -0.000 -1.780 -3.116) 3.588 9.966 ( -0.000 -0.888 13.110) 13.140 10.238 ( -0.000 -0.503 -11.348) 11.359 ======================= Grid point 520 (171/171) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 2.00e-05 2.00e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.000 0.000 -0.916) 0.916 0.902 ( -0.000 -0.000 -0.982) 0.982 0.970 ( 0.000 0.000 0.797) 0.797 0.985 ( 0.000 0.000 -0.657) 0.657 1.292 ( 0.000 0.000 1.773) 1.773 1.337 ( 0.000 0.000 -1.894) 1.894 1.367 ( 0.000 0.000 10.451) 10.451 1.560 ( 0.000 0.000 -7.572) 7.572 1.723 ( 0.000 0.000 5.821) 5.821 1.901 ( 0.000 0.000 -10.388) 10.388 2.337 ( 0.000 0.000 3.796) 3.796 2.425 ( 0.000 0.000 -4.342) 4.342 2.477 ( 0.000 0.000 32.605) 32.605 2.960 ( 0.000 0.000 8.659) 8.659 3.052 ( 0.000 0.000 -14.930) 14.930 3.159 ( 0.000 0.000 -16.000) 16.000 3.585 ( 0.000 0.000 17.458) 17.458 3.888 ( 0.000 0.000 -12.100) 12.100 4.306 ( 0.000 0.000 0.896) 0.896 4.314 ( 0.000 0.000 0.140) 0.140 6.973 ( 0.000 0.000 -0.328) 0.328 6.975 ( 0.000 0.000 -0.498) 0.498 7.103 ( 0.000 0.000 15.684) 15.684 7.341 ( 0.000 0.000 -7.871) 7.871 7.560 ( 0.000 0.000 1.514) 1.514 7.587 ( 0.000 0.000 -1.013) 1.013 7.873 ( 0.000 0.000 0.663) 0.663 7.888 ( 0.000 0.000 -0.694) 0.694 8.211 ( 0.000 0.000 13.736) 13.736 8.381 ( 0.000 0.000 -4.715) 4.715 8.728 ( 0.000 0.000 16.366) 16.366 9.047 ( 0.000 0.000 -10.663) 10.663 9.303 ( 0.000 0.000 -1.219) 1.219 9.324 ( 0.000 0.000 -2.462) 2.462 9.962 ( 0.000 0.000 13.141) 13.141 10.235 ( 0.000 0.000 -11.457) 11.457 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/35280 10.0 52.613 65.492 30.837 0.000 0.000 0.000 3/35280 20.0 19.669 13.773 12.483 0.000 0.000 0.000 3/35280 30.0 13.774 6.999 10.588 0.000 0.000 0.000 3/35280 40.0 11.675 4.659 9.967 0.000 0.000 0.000 3/35280 50.0 10.394 3.507 9.245 0.000 0.000 0.000 3/35280 60.0 9.351 2.826 8.410 0.000 0.000 0.000 3/35280 70.0 8.446 2.376 7.586 0.000 0.000 0.000 3/35280 80.0 7.661 2.056 6.840 0.000 0.000 0.000 3/35280 90.0 6.986 1.815 6.191 0.000 0.000 0.000 3/35280 100.0 6.406 1.627 5.636 0.000 0.000 0.000 3/35280 110.0 5.906 1.476 5.162 0.000 0.000 0.000 3/35280 120.0 5.473 1.352 4.757 0.000 0.000 0.000 3/35280 130.0 5.096 1.248 4.408 0.000 0.000 0.000 3/35280 140.0 4.766 1.158 4.105 0.000 0.000 0.000 3/35280 150.0 4.474 1.082 3.841 0.000 0.000 0.000 3/35280 160.0 4.215 1.014 3.608 0.000 0.000 0.000 3/35280 170.0 3.984 0.955 3.402 0.000 0.000 0.000 3/35280 180.0 3.776 0.903 3.218 0.000 0.000 0.000 3/35280 190.0 3.588 0.856 3.053 0.000 0.000 0.000 3/35280 200.0 3.418 0.813 2.904 0.000 0.000 0.000 3/35280 210.0 3.263 0.775 2.769 0.000 0.000 0.000 3/35280 220.0 3.121 0.740 2.646 0.000 0.000 0.000 3/35280 230.0 2.991 0.708 2.533 0.000 0.000 0.000 3/35280 240.0 2.872 0.679 2.430 0.000 0.000 0.000 3/35280 250.0 2.761 0.652 2.335 0.000 0.000 0.000 3/35280 260.0 2.659 0.627 2.247 0.000 0.000 0.000 3/35280 270.0 2.563 0.605 2.165 0.000 0.000 0.000 3/35280 280.0 2.475 0.583 2.089 0.000 0.000 0.000 3/35280 290.0 2.392 0.563 2.019 0.000 0.000 0.000 3/35280 300.0 2.314 0.545 1.952 0.000 0.000 0.000 3/35280 310.0 2.242 0.527 1.891 0.000 0.000 0.000 3/35280 320.0 2.174 0.511 1.832 0.000 0.000 0.000 3/35280 330.0 2.109 0.496 1.778 0.000 0.000 0.000 3/35280 340.0 2.049 0.481 1.726 0.000 0.000 0.000 3/35280 350.0 1.991 0.467 1.678 0.000 0.000 0.000 3/35280 360.0 1.937 0.455 1.632 0.000 0.000 0.000 3/35280 370.0 1.886 0.442 1.588 0.000 0.000 0.000 3/35280 380.0 1.837 0.431 1.547 0.000 0.000 0.000 3/35280 390.0 1.791 0.420 1.508 0.000 0.000 0.000 3/35280 400.0 1.747 0.409 1.471 0.000 0.000 0.000 3/35280 410.0 1.705 0.400 1.436 0.000 0.000 0.000 3/35280 420.0 1.666 0.390 1.402 0.000 0.000 0.000 3/35280 430.0 1.628 0.381 1.370 0.000 0.000 0.000 3/35280 440.0 1.591 0.373 1.339 0.000 0.000 0.000 3/35280 450.0 1.556 0.364 1.310 0.000 0.000 0.000 3/35280 460.0 1.523 0.356 1.281 0.000 0.000 0.000 3/35280 470.0 1.491 0.349 1.254 0.000 0.000 0.000 3/35280 480.0 1.461 0.342 1.229 0.000 0.000 0.000 3/35280 490.0 1.431 0.335 1.204 0.000 0.000 0.000 3/35280 500.0 1.403 0.328 1.180 0.000 0.000 0.000 3/35280 510.0 1.376 0.322 1.157 0.000 0.000 0.000 3/35280 520.0 1.350 0.316 1.135 0.000 0.000 0.000 3/35280 530.0 1.325 0.310 1.114 0.000 0.000 0.000 3/35280 540.0 1.300 0.304 1.094 0.000 0.000 0.000 3/35280 550.0 1.277 0.298 1.074 0.000 0.000 0.000 3/35280 560.0 1.254 0.293 1.055 0.000 0.000 0.000 3/35280 570.0 1.233 0.288 1.037 0.000 0.000 0.000 3/35280 580.0 1.212 0.283 1.019 0.000 0.000 0.000 3/35280 590.0 1.191 0.278 1.002 0.000 0.000 0.000 3/35280 600.0 1.172 0.274 0.985 0.000 0.000 0.000 3/35280 610.0 1.153 0.269 0.969 0.000 0.000 0.000 3/35280 620.0 1.134 0.265 0.954 0.000 0.000 0.000 3/35280 630.0 1.116 0.261 0.939 0.000 0.000 0.000 3/35280 640.0 1.099 0.257 0.924 0.000 0.000 0.000 3/35280 650.0 1.082 0.253 0.910 0.000 0.000 0.000 3/35280 660.0 1.066 0.249 0.896 0.000 0.000 0.000 3/35280 670.0 1.050 0.245 0.883 0.000 0.000 0.000 3/35280 680.0 1.035 0.242 0.870 0.000 0.000 0.000 3/35280 690.0 1.020 0.238 0.858 0.000 0.000 0.000 3/35280 700.0 1.006 0.235 0.846 0.000 0.000 0.000 3/35280 710.0 0.992 0.231 0.834 0.000 0.000 0.000 3/35280 720.0 0.978 0.228 0.822 0.000 0.000 0.000 3/35280 730.0 0.965 0.225 0.811 0.000 0.000 0.000 3/35280 740.0 0.952 0.222 0.800 0.000 0.000 0.000 3/35280 750.0 0.939 0.219 0.790 0.000 0.000 0.000 3/35280 760.0 0.927 0.216 0.779 0.000 0.000 0.000 3/35280 770.0 0.915 0.213 0.769 0.000 0.000 0.000 3/35280 780.0 0.903 0.211 0.759 0.000 0.000 0.000 3/35280 790.0 0.892 0.208 0.750 0.000 0.000 0.000 3/35280 800.0 0.881 0.205 0.741 0.000 0.000 0.000 3/35280 810.0 0.870 0.203 0.732 0.000 0.000 0.000 3/35280 820.0 0.860 0.200 0.723 0.000 0.000 0.000 3/35280 830.0 0.849 0.198 0.714 0.000 0.000 0.000 3/35280 840.0 0.839 0.196 0.706 0.000 0.000 0.000 3/35280 850.0 0.830 0.193 0.697 0.000 0.000 0.000 3/35280 860.0 0.820 0.191 0.689 0.000 0.000 0.000 3/35280 870.0 0.811 0.189 0.681 0.000 0.000 0.000 3/35280 880.0 0.801 0.187 0.674 0.000 0.000 0.000 3/35280 890.0 0.793 0.185 0.666 0.000 0.000 0.000 3/35280 900.0 0.784 0.183 0.659 0.000 0.000 0.000 3/35280 910.0 0.775 0.181 0.652 0.000 0.000 0.000 3/35280 920.0 0.767 0.179 0.645 0.000 0.000 0.000 3/35280 930.0 0.759 0.177 0.638 0.000 0.000 0.000 3/35280 940.0 0.751 0.175 0.631 0.000 0.000 0.000 3/35280 950.0 0.743 0.173 0.624 0.000 0.000 0.000 3/35280 960.0 0.735 0.171 0.618 0.000 0.000 0.000 3/35280 970.0 0.728 0.170 0.612 0.000 0.000 0.000 3/35280 980.0 0.720 0.168 0.605 0.000 0.000 0.000 3/35280 990.0 0.713 0.166 0.599 0.000 0.000 0.000 3/35280 1000.0 0.706 0.164 0.593 0.000 0.000 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m14145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:22:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|