----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:51:18]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 1.997731029999999 -7.501190799999999 0.000000000000000 b 1.997731029999999 7.501190799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.301538979999998 Atomic positions (fractional): *1 Ce 0.00000000000000 0.00000000000000 0.50000000000000 140.116 2 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 *3 Cu 0.46794715819105 0.53205284180894 0.75000000000000 63.546 4 Cu 0.53205284180894 0.46794715819105 0.25000000000000 63.546 *5 Cs 0.74058724884440 0.25941275115560 0.75000000000000 132.905 6 Cs 0.25941275115560 0.74058724884440 0.25000000000000 132.905 *7 S 0.05346294782835 0.94653705217165 0.75000000000000 32.065 8 S 0.94653705217165 0.05346294782835 0.25000000000000 32.065 *9 S 0.61395590197914 0.38604409802086 0.43622222214169 32.065 10 S 0.38604409802086 0.61395590197914 0.56377777785831 32.065 11 S 0.38604409802086 0.61395590197914 0.93622222214169 32.065 12 S 0.61395590197914 0.38604409802086 0.06377777785831 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.995462059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.002381599999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.301538979999998 Atomic positions (fractional): *1 Ce 0.00000000000000 0.00000000000000 0.50000000000000 140.116 > 1 2 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 > 2 3 Ce 0.50000000000000 0.50000000000000 0.50000000000000 140.116 > 1 4 Ce 0.50000000000000 0.50000000000000 0.00000000000000 140.116 > 2 *5 Cu 0.50000000000000 0.03205284180894 0.75000000000000 63.546 > 3 6 Cu 0.00000000000000 0.46794715819105 0.25000000000000 63.546 > 4 7 Cu 0.00000000000000 0.53205284180894 0.75000000000000 63.546 > 3 8 Cu 0.50000000000000 0.96794715819106 0.25000000000000 63.546 > 4 *9 Cs 0.00000000000000 0.25941275115560 0.75000000000000 132.905 > 5 10 Cs 0.50000000000000 0.24058724884440 0.25000000000000 132.905 > 6 11 Cs 0.50000000000000 0.75941275115560 0.75000000000000 132.905 > 5 12 Cs 0.00000000000000 0.74058724884440 0.25000000000000 132.905 > 6 *13 S 0.50000000000000 0.44653705217165 0.75000000000000 32.065 > 7 14 S 0.00000000000000 0.05346294782835 0.25000000000000 32.065 > 8 *15 S 0.00000000000000 0.38604409802086 0.43622222214169 32.065 > 9 16 S 0.50000000000000 0.11395590197914 0.56377777785831 32.065 > 10 17 S 0.50000000000000 0.11395590197914 0.93622222214169 32.065 > 11 18 S 0.00000000000000 0.38604409802086 0.06377777785831 32.065 > 12 19 S 0.00000000000000 0.94653705217165 0.75000000000000 32.065 > 7 20 S 0.50000000000000 0.55346294782835 0.25000000000000 32.065 > 8 21 S 0.50000000000000 0.88604409802086 0.43622222214169 32.065 > 9 22 S 0.00000000000000 0.61395590197914 0.56377777785831 32.065 > 10 23 S 0.00000000000000 0.61395590197914 0.93622222214169 32.065 > 11 24 S 0.50000000000000 0.88604409802086 0.06377777785831 32.065 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.986386179999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.002381599999998 0.000000000000000 c 0.000000000000000 0.000000000000000 20.603077959999997 Atomic positions (fractional): *1 Ce 0.00000000000000 0.00000000000000 0.25000000000000 140.116 > 1 2 Ce 0.33333333333333 0.00000000000000 0.25000000000000 140.116 > 1 3 Ce 0.66666666666667 0.00000000000000 0.25000000000000 140.116 > 1 4 Ce 0.00000000000000 0.00000000000000 0.75000000000000 140.116 > 1 5 Ce 0.33333333333333 0.00000000000000 0.75000000000000 140.116 > 1 6 Ce 0.66666666666667 0.00000000000000 0.75000000000000 140.116 > 1 7 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 > 2 8 Ce 0.33333333333333 0.00000000000000 0.00000000000000 140.116 > 2 9 Ce 0.66666666666667 0.00000000000000 0.00000000000000 140.116 > 2 10 Ce 0.00000000000000 0.00000000000000 0.50000000000000 140.116 > 2 11 Ce 0.33333333333333 0.00000000000000 0.50000000000000 140.116 > 2 12 Ce 0.66666666666667 0.00000000000000 0.50000000000000 140.116 > 2 13 Ce 0.16666666666667 0.50000000000000 0.25000000000000 140.116 > 1 14 Ce 0.50000000000000 0.50000000000000 0.25000000000000 140.116 > 1 15 Ce 0.83333333333333 0.50000000000000 0.25000000000000 140.116 > 1 16 Ce 0.16666666666667 0.50000000000000 0.75000000000000 140.116 > 1 17 Ce 0.50000000000000 0.50000000000000 0.75000000000000 140.116 > 1 18 Ce 0.83333333333333 0.50000000000000 0.75000000000000 140.116 > 1 19 Ce 0.16666666666667 0.50000000000000 0.00000000000000 140.116 > 2 20 Ce 0.50000000000000 0.50000000000000 0.00000000000000 140.116 > 2 21 Ce 0.83333333333333 0.50000000000000 0.00000000000000 140.116 > 2 22 Ce 0.16666666666667 0.50000000000000 0.50000000000000 140.116 > 2 23 Ce 0.50000000000000 0.50000000000000 0.50000000000000 140.116 > 2 24 Ce 0.83333333333333 0.50000000000000 0.50000000000000 140.116 > 2 *25 Cu 0.16666666666667 0.03205284180894 0.37500000000000 63.546 > 3 26 Cu 0.50000000000000 0.03205284180894 0.37500000000000 63.546 > 3 27 Cu 0.83333333333333 0.03205284180894 0.37500000000000 63.546 > 3 28 Cu 0.16666666666667 0.03205284180894 0.87500000000000 63.546 > 3 29 Cu 0.50000000000000 0.03205284180894 0.87500000000000 63.546 > 3 30 Cu 0.83333333333333 0.03205284180894 0.87500000000000 63.546 > 3 31 Cu 0.00000000000000 0.46794715819105 0.12500000000000 63.546 > 4 32 Cu 0.33333333333333 0.46794715819105 0.12500000000000 63.546 > 4 33 Cu 0.66666666666667 0.46794715819105 0.12500000000000 63.546 > 4 34 Cu 0.00000000000000 0.46794715819105 0.62500000000000 63.546 > 4 35 Cu 0.33333333333333 0.46794715819105 0.62500000000000 63.546 > 4 36 Cu 0.66666666666667 0.46794715819105 0.62500000000000 63.546 > 4 37 Cu 0.00000000000000 0.53205284180894 0.37500000000000 63.546 > 3 38 Cu 0.33333333333333 0.53205284180894 0.37500000000000 63.546 > 3 39 Cu 0.66666666666667 0.53205284180894 0.37500000000000 63.546 > 3 40 Cu 0.00000000000000 0.53205284180894 0.87500000000000 63.546 > 3 41 Cu 0.33333333333333 0.53205284180894 0.87500000000000 63.546 > 3 42 Cu 0.66666666666667 0.53205284180894 0.87500000000000 63.546 > 3 43 Cu 0.16666666666667 0.96794715819106 0.12500000000000 63.546 > 4 44 Cu 0.50000000000000 0.96794715819106 0.12500000000000 63.546 > 4 45 Cu 0.83333333333333 0.96794715819106 0.12500000000000 63.546 > 4 46 Cu 0.16666666666667 0.96794715819106 0.62500000000000 63.546 > 4 47 Cu 0.50000000000000 0.96794715819106 0.62500000000000 63.546 > 4 48 Cu 0.83333333333333 0.96794715819106 0.62500000000000 63.546 > 4 *49 Cs 0.00000000000000 0.25941275115560 0.37500000000000 132.905 > 5 50 Cs 0.33333333333333 0.25941275115560 0.37500000000000 132.905 > 5 51 Cs 0.66666666666667 0.25941275115560 0.37500000000000 132.905 > 5 52 Cs 0.00000000000000 0.25941275115560 0.87500000000000 132.905 > 5 53 Cs 0.33333333333333 0.25941275115560 0.87500000000000 132.905 > 5 54 Cs 0.66666666666667 0.25941275115560 0.87500000000000 132.905 > 5 55 Cs 0.16666666666667 0.24058724884440 0.12500000000000 132.905 > 6 56 Cs 0.50000000000000 0.24058724884440 0.12500000000000 132.905 > 6 57 Cs 0.83333333333333 0.24058724884440 0.12500000000000 132.905 > 6 58 Cs 0.16666666666667 0.24058724884440 0.62500000000000 132.905 > 6 59 Cs 0.50000000000000 0.24058724884440 0.62500000000000 132.905 > 6 60 Cs 0.83333333333333 0.24058724884440 0.62500000000000 132.905 > 6 61 Cs 0.16666666666667 0.75941275115560 0.37500000000000 132.905 > 5 62 Cs 0.50000000000000 0.75941275115560 0.37500000000000 132.905 > 5 63 Cs 0.83333333333333 0.75941275115560 0.37500000000000 132.905 > 5 64 Cs 0.16666666666667 0.75941275115560 0.87500000000000 132.905 > 5 65 Cs 0.50000000000000 0.75941275115560 0.87500000000000 132.905 > 5 66 Cs 0.83333333333333 0.75941275115560 0.87500000000000 132.905 > 5 67 Cs 0.00000000000000 0.74058724884440 0.12500000000000 132.905 > 6 68 Cs 0.33333333333333 0.74058724884440 0.12500000000000 132.905 > 6 69 Cs 0.66666666666667 0.74058724884440 0.12500000000000 132.905 > 6 70 Cs 0.00000000000000 0.74058724884440 0.62500000000000 132.905 > 6 71 Cs 0.33333333333333 0.74058724884440 0.62500000000000 132.905 > 6 72 Cs 0.66666666666667 0.74058724884440 0.62500000000000 132.905 > 6 *73 S 0.16666666666667 0.44653705217165 0.37500000000000 32.065 > 7 74 S 0.50000000000000 0.44653705217165 0.37500000000000 32.065 > 7 75 S 0.83333333333333 0.44653705217165 0.37500000000000 32.065 > 7 76 S 0.16666666666667 0.44653705217165 0.87500000000000 32.065 > 7 77 S 0.50000000000000 0.44653705217165 0.87500000000000 32.065 > 7 78 S 0.83333333333333 0.44653705217165 0.87500000000000 32.065 > 7 79 S 0.00000000000000 0.05346294782835 0.12500000000000 32.065 > 8 80 S 0.33333333333333 0.05346294782835 0.12500000000000 32.065 > 8 81 S 0.66666666666667 0.05346294782835 0.12500000000000 32.065 > 8 82 S 0.00000000000000 0.05346294782835 0.62500000000000 32.065 > 8 83 S 0.33333333333333 0.05346294782835 0.62500000000000 32.065 > 8 84 S 0.66666666666667 0.05346294782835 0.62500000000000 32.065 > 8 *85 S 0.00000000000000 0.38604409802086 0.21811111107085 32.065 > 9 86 S 0.33333333333333 0.38604409802086 0.21811111107085 32.065 > 9 87 S 0.66666666666667 0.38604409802086 0.21811111107085 32.065 > 9 88 S 0.00000000000000 0.38604409802086 0.71811111107085 32.065 > 9 89 S 0.33333333333333 0.38604409802086 0.71811111107085 32.065 > 9 90 S 0.66666666666667 0.38604409802086 0.71811111107085 32.065 > 9 91 S 0.16666666666667 0.11395590197914 0.28188888892915 32.065 > 10 92 S 0.50000000000000 0.11395590197914 0.28188888892915 32.065 > 10 93 S 0.83333333333333 0.11395590197914 0.28188888892915 32.065 > 10 94 S 0.16666666666667 0.11395590197914 0.78188888892915 32.065 > 10 95 S 0.50000000000000 0.11395590197914 0.78188888892915 32.065 > 10 96 S 0.83333333333333 0.11395590197914 0.78188888892915 32.065 > 10 97 S 0.16666666666667 0.11395590197914 0.46811111107085 32.065 > 11 98 S 0.50000000000000 0.11395590197914 0.46811111107085 32.065 > 11 99 S 0.83333333333333 0.11395590197914 0.46811111107085 32.065 > 11 100 S 0.16666666666667 0.11395590197914 0.96811111107085 32.065 > 11 101 S 0.50000000000000 0.11395590197914 0.96811111107085 32.065 > 11 102 S 0.83333333333333 0.11395590197914 0.96811111107085 32.065 > 11 103 S 0.00000000000000 0.38604409802086 0.03188888892915 32.065 > 12 104 S 0.33333333333333 0.38604409802086 0.03188888892915 32.065 > 12 105 S 0.66666666666667 0.38604409802086 0.03188888892915 32.065 > 12 106 S 0.00000000000000 0.38604409802086 0.53188888892915 32.065 > 12 107 S 0.33333333333333 0.38604409802086 0.53188888892915 32.065 > 12 108 S 0.66666666666667 0.38604409802086 0.53188888892915 32.065 > 12 109 S 0.00000000000000 0.94653705217165 0.37500000000000 32.065 > 7 110 S 0.33333333333333 0.94653705217165 0.37500000000000 32.065 > 7 111 S 0.66666666666667 0.94653705217165 0.37500000000000 32.065 > 7 112 S 0.00000000000000 0.94653705217165 0.87500000000000 32.065 > 7 113 S 0.33333333333333 0.94653705217165 0.87500000000000 32.065 > 7 114 S 0.66666666666667 0.94653705217165 0.87500000000000 32.065 > 7 115 S 0.16666666666667 0.55346294782835 0.12500000000000 32.065 > 8 116 S 0.50000000000000 0.55346294782835 0.12500000000000 32.065 > 8 117 S 0.83333333333333 0.55346294782835 0.12500000000000 32.065 > 8 118 S 0.16666666666667 0.55346294782835 0.62500000000000 32.065 > 8 119 S 0.50000000000000 0.55346294782835 0.62500000000000 32.065 > 8 120 S 0.83333333333333 0.55346294782835 0.62500000000000 32.065 > 8 121 S 0.16666666666667 0.88604409802086 0.21811111107085 32.065 > 9 122 S 0.50000000000000 0.88604409802086 0.21811111107085 32.065 > 9 123 S 0.83333333333333 0.88604409802086 0.21811111107085 32.065 > 9 124 S 0.16666666666667 0.88604409802086 0.71811111107085 32.065 > 9 125 S 0.50000000000000 0.88604409802086 0.71811111107085 32.065 > 9 126 S 0.83333333333333 0.88604409802086 0.71811111107085 32.065 > 9 127 S 0.00000000000000 0.61395590197914 0.28188888892915 32.065 > 10 128 S 0.33333333333333 0.61395590197914 0.28188888892915 32.065 > 10 129 S 0.66666666666667 0.61395590197914 0.28188888892915 32.065 > 10 130 S 0.00000000000000 0.61395590197914 0.78188888892915 32.065 > 10 131 S 0.33333333333333 0.61395590197914 0.78188888892915 32.065 > 10 132 S 0.66666666666667 0.61395590197914 0.78188888892915 32.065 > 10 133 S 0.00000000000000 0.61395590197914 0.46811111107085 32.065 > 11 134 S 0.33333333333333 0.61395590197914 0.46811111107085 32.065 > 11 135 S 0.66666666666667 0.61395590197914 0.46811111107085 32.065 > 11 136 S 0.00000000000000 0.61395590197914 0.96811111107085 32.065 > 11 137 S 0.33333333333333 0.61395590197914 0.96811111107085 32.065 > 11 138 S 0.66666666666667 0.61395590197914 0.96811111107085 32.065 > 11 139 S 0.16666666666667 0.88604409802086 0.03188888892915 32.065 > 12 140 S 0.50000000000000 0.88604409802086 0.03188888892915 32.065 > 12 141 S 0.83333333333333 0.88604409802086 0.03188888892915 32.065 > 12 142 S 0.16666666666667 0.88604409802086 0.53188888892915 32.065 > 12 143 S 0.50000000000000 0.88604409802086 0.53188888892915 32.065 > 12 144 S 0.83333333333333 0.88604409802086 0.53188888892915 32.065 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.6666821 0.0000000 0.0000000 0.0000000 4.6042244 0.0000000 0.0000000 0.0000000 9.0859562 -------------------------- Born effective charges -------------------------- 1 Ce 5.9735969 0.0000000 0.0000000 0.0000000 1.5970707 0.1613914 0.0000000 0.2099838 6.1335196 2 Ce 5.9735969 0.0000000 0.0000000 0.0000000 1.5970707 -0.1613914 0.0000000 -0.2099838 6.1335196 3 Cu 0.3415178 0.0000000 0.0000000 0.0000000 0.2274176 0.0000000 0.0000000 0.0000000 -0.1508405 4 Cu 0.3415178 0.0000000 0.0000000 0.0000000 0.2274176 0.0000000 0.0000000 0.0000000 -0.1508405 5 Cs 1.1487173 0.0000000 0.0000000 0.0000000 2.1032800 0.0000000 0.0000000 0.0000000 1.1698162 6 Cs 1.1487173 0.0000000 0.0000000 0.0000000 2.1032800 0.0000000 0.0000000 0.0000000 1.1698162 7 S -1.1538893 0.0000000 0.0000000 0.0000000 -0.8741324 0.0000000 0.0000000 0.0000000 -4.3183053 8 S -1.1538893 0.0000000 0.0000000 0.0000000 -0.8741324 0.0000000 0.0000000 0.0000000 -4.3183053 9 S -3.1549714 0.0000000 0.0000000 0.0000000 -1.5268180 -0.0931234 0.0000000 -0.5790431 -1.4170950 10 S -3.1549714 0.0000000 0.0000000 0.0000000 -1.5268180 -0.0931234 0.0000000 -0.5790431 -1.4170950 11 S -3.1549714 0.0000000 0.0000000 0.0000000 -1.5268180 0.0931234 0.0000000 0.5790431 -1.4170950 12 S -3.1549714 0.0000000 0.0000000 0.0000000 -1.5268180 0.0931234 0.0000000 0.5790431 -1.4170950 ---------------------------------------------------------------------------- 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: 0.341 Solver_block: 200 / 240 - Time: 0.339 Solver_block: 240 / 240 - Time: 0.167 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.867 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:51:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:51:35]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [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 1.997731029999999 -7.501190799999999 0.000000000000000 b 1.997731029999999 7.501190799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.301538979999998 Atomic positions (fractional): 1 Ce 0.00000000000000 0.00000000000000 0.50000000000000 140.116 2 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 3 Cu 0.46794715819105 0.53205284180894 0.75000000000000 63.546 4 Cu 0.53205284180894 0.46794715819105 0.25000000000000 63.546 5 Cs 0.74058724884440 0.25941275115560 0.75000000000000 132.905 6 Cs 0.25941275115560 0.74058724884440 0.25000000000000 132.905 7 S 0.05346294782835 0.94653705217165 0.75000000000000 32.065 8 S 0.94653705217165 0.05346294782835 0.25000000000000 32.065 9 S 0.61395590197914 0.38604409802086 0.43622222214169 32.065 10 S 0.38604409802086 0.61395590197914 0.56377777785831 32.065 11 S 0.38604409802086 0.61395590197914 0.93622222214169 32.065 12 S 0.61395590197914 0.38604409802086 0.06377777785831 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.986386179999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.002381599999998 0.000000000000000 c 0.000000000000000 0.000000000000000 20.603077959999997 Atomic positions (fractional): 1 Ce 0.00000000000000 0.00000000000000 0.25000000000000 140.116 > 1 2 Ce 0.33333333333333 0.00000000000000 0.25000000000000 140.116 > 1 3 Ce 0.66666666666667 0.00000000000000 0.25000000000000 140.116 > 1 4 Ce 0.00000000000000 0.00000000000000 0.75000000000000 140.116 > 1 5 Ce 0.33333333333333 0.00000000000000 0.75000000000000 140.116 > 1 6 Ce 0.66666666666667 0.00000000000000 0.75000000000000 140.116 > 1 7 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 > 7 8 Ce 0.33333333333333 0.00000000000000 0.00000000000000 140.116 > 7 9 Ce 0.66666666666667 0.00000000000000 0.00000000000000 140.116 > 7 10 Ce 0.00000000000000 0.00000000000000 0.50000000000000 140.116 > 7 11 Ce 0.33333333333333 0.00000000000000 0.50000000000000 140.116 > 7 12 Ce 0.66666666666667 0.00000000000000 0.50000000000000 140.116 > 7 13 Ce 0.16666666666667 0.50000000000000 0.25000000000000 140.116 > 1 14 Ce 0.50000000000000 0.50000000000000 0.25000000000000 140.116 > 1 15 Ce 0.83333333333333 0.50000000000000 0.25000000000000 140.116 > 1 16 Ce 0.16666666666667 0.50000000000000 0.75000000000000 140.116 > 1 17 Ce 0.50000000000000 0.50000000000000 0.75000000000000 140.116 > 1 18 Ce 0.83333333333333 0.50000000000000 0.75000000000000 140.116 > 1 19 Ce 0.16666666666667 0.50000000000000 0.00000000000000 140.116 > 7 20 Ce 0.50000000000000 0.50000000000000 0.00000000000000 140.116 > 7 21 Ce 0.83333333333333 0.50000000000000 0.00000000000000 140.116 > 7 22 Ce 0.16666666666667 0.50000000000000 0.50000000000000 140.116 > 7 23 Ce 0.50000000000000 0.50000000000000 0.50000000000000 140.116 > 7 24 Ce 0.83333333333333 0.50000000000000 0.50000000000000 140.116 > 7 25 Cu 0.16666666666667 0.03205284180894 0.37500000000000 63.546 > 25 26 Cu 0.50000000000000 0.03205284180894 0.37500000000000 63.546 > 25 27 Cu 0.83333333333333 0.03205284180894 0.37500000000000 63.546 > 25 28 Cu 0.16666666666667 0.03205284180894 0.87500000000000 63.546 > 25 29 Cu 0.50000000000000 0.03205284180894 0.87500000000000 63.546 > 25 30 Cu 0.83333333333333 0.03205284180894 0.87500000000000 63.546 > 25 31 Cu 0.00000000000000 0.46794715819105 0.12500000000000 63.546 > 31 32 Cu 0.33333333333333 0.46794715819105 0.12500000000000 63.546 > 31 33 Cu 0.66666666666667 0.46794715819105 0.12500000000000 63.546 > 31 34 Cu 0.00000000000000 0.46794715819105 0.62500000000000 63.546 > 31 35 Cu 0.33333333333333 0.46794715819105 0.62500000000000 63.546 > 31 36 Cu 0.66666666666667 0.46794715819105 0.62500000000000 63.546 > 31 37 Cu 0.00000000000000 0.53205284180894 0.37500000000000 63.546 > 25 38 Cu 0.33333333333333 0.53205284180894 0.37500000000000 63.546 > 25 39 Cu 0.66666666666667 0.53205284180894 0.37500000000000 63.546 > 25 40 Cu 0.00000000000000 0.53205284180894 0.87500000000000 63.546 > 25 41 Cu 0.33333333333333 0.53205284180894 0.87500000000000 63.546 > 25 42 Cu 0.66666666666667 0.53205284180894 0.87500000000000 63.546 > 25 43 Cu 0.16666666666667 0.96794715819106 0.12500000000000 63.546 > 31 44 Cu 0.50000000000000 0.96794715819106 0.12500000000000 63.546 > 31 45 Cu 0.83333333333333 0.96794715819106 0.12500000000000 63.546 > 31 46 Cu 0.16666666666667 0.96794715819106 0.62500000000000 63.546 > 31 47 Cu 0.50000000000000 0.96794715819106 0.62500000000000 63.546 > 31 48 Cu 0.83333333333333 0.96794715819106 0.62500000000000 63.546 > 31 49 Cs 0.00000000000000 0.25941275115560 0.37500000000000 132.905 > 49 50 Cs 0.33333333333333 0.25941275115560 0.37500000000000 132.905 > 49 51 Cs 0.66666666666667 0.25941275115560 0.37500000000000 132.905 > 49 52 Cs 0.00000000000000 0.25941275115560 0.87500000000000 132.905 > 49 53 Cs 0.33333333333333 0.25941275115560 0.87500000000000 132.905 > 49 54 Cs 0.66666666666667 0.25941275115560 0.87500000000000 132.905 > 49 55 Cs 0.16666666666667 0.24058724884440 0.12500000000000 132.905 > 55 56 Cs 0.50000000000000 0.24058724884440 0.12500000000000 132.905 > 55 57 Cs 0.83333333333333 0.24058724884440 0.12500000000000 132.905 > 55 58 Cs 0.16666666666667 0.24058724884440 0.62500000000000 132.905 > 55 59 Cs 0.50000000000000 0.24058724884440 0.62500000000000 132.905 > 55 60 Cs 0.83333333333333 0.24058724884440 0.62500000000000 132.905 > 55 61 Cs 0.16666666666667 0.75941275115560 0.37500000000000 132.905 > 49 62 Cs 0.50000000000000 0.75941275115560 0.37500000000000 132.905 > 49 63 Cs 0.83333333333333 0.75941275115560 0.37500000000000 132.905 > 49 64 Cs 0.16666666666667 0.75941275115560 0.87500000000000 132.905 > 49 65 Cs 0.50000000000000 0.75941275115560 0.87500000000000 132.905 > 49 66 Cs 0.83333333333333 0.75941275115560 0.87500000000000 132.905 > 49 67 Cs 0.00000000000000 0.74058724884440 0.12500000000000 132.905 > 55 68 Cs 0.33333333333333 0.74058724884440 0.12500000000000 132.905 > 55 69 Cs 0.66666666666667 0.74058724884440 0.12500000000000 132.905 > 55 70 Cs 0.00000000000000 0.74058724884440 0.62500000000000 132.905 > 55 71 Cs 0.33333333333333 0.74058724884440 0.62500000000000 132.905 > 55 72 Cs 0.66666666666667 0.74058724884440 0.62500000000000 132.905 > 55 73 S 0.16666666666667 0.44653705217165 0.37500000000000 32.065 > 73 74 S 0.50000000000000 0.44653705217165 0.37500000000000 32.065 > 73 75 S 0.83333333333333 0.44653705217165 0.37500000000000 32.065 > 73 76 S 0.16666666666667 0.44653705217165 0.87500000000000 32.065 > 73 77 S 0.50000000000000 0.44653705217165 0.87500000000000 32.065 > 73 78 S 0.83333333333333 0.44653705217165 0.87500000000000 32.065 > 73 79 S 0.00000000000000 0.05346294782835 0.12500000000000 32.065 > 79 80 S 0.33333333333333 0.05346294782835 0.12500000000000 32.065 > 79 81 S 0.66666666666667 0.05346294782835 0.12500000000000 32.065 > 79 82 S 0.00000000000000 0.05346294782835 0.62500000000000 32.065 > 79 83 S 0.33333333333333 0.05346294782835 0.62500000000000 32.065 > 79 84 S 0.66666666666667 0.05346294782835 0.62500000000000 32.065 > 79 85 S 0.00000000000000 0.38604409802086 0.21811111107085 32.065 > 85 86 S 0.33333333333333 0.38604409802086 0.21811111107085 32.065 > 85 87 S 0.66666666666667 0.38604409802086 0.21811111107085 32.065 > 85 88 S 0.00000000000000 0.38604409802086 0.71811111107085 32.065 > 85 89 S 0.33333333333333 0.38604409802086 0.71811111107085 32.065 > 85 90 S 0.66666666666667 0.38604409802086 0.71811111107085 32.065 > 85 91 S 0.16666666666667 0.11395590197914 0.28188888892915 32.065 > 91 92 S 0.50000000000000 0.11395590197914 0.28188888892915 32.065 > 91 93 S 0.83333333333333 0.11395590197914 0.28188888892915 32.065 > 91 94 S 0.16666666666667 0.11395590197914 0.78188888892915 32.065 > 91 95 S 0.50000000000000 0.11395590197914 0.78188888892915 32.065 > 91 96 S 0.83333333333333 0.11395590197914 0.78188888892915 32.065 > 91 97 S 0.16666666666667 0.11395590197914 0.46811111107085 32.065 > 97 98 S 0.50000000000000 0.11395590197914 0.46811111107085 32.065 > 97 99 S 0.83333333333333 0.11395590197914 0.46811111107085 32.065 > 97 100 S 0.16666666666667 0.11395590197914 0.96811111107085 32.065 > 97 101 S 0.50000000000000 0.11395590197914 0.96811111107085 32.065 > 97 102 S 0.83333333333333 0.11395590197914 0.96811111107085 32.065 > 97 103 S 0.00000000000000 0.38604409802086 0.03188888892915 32.065 > 103 104 S 0.33333333333333 0.38604409802086 0.03188888892915 32.065 > 103 105 S 0.66666666666667 0.38604409802086 0.03188888892915 32.065 > 103 106 S 0.00000000000000 0.38604409802086 0.53188888892915 32.065 > 103 107 S 0.33333333333333 0.38604409802086 0.53188888892915 32.065 > 103 108 S 0.66666666666667 0.38604409802086 0.53188888892915 32.065 > 103 109 S 0.00000000000000 0.94653705217165 0.37500000000000 32.065 > 73 110 S 0.33333333333333 0.94653705217165 0.37500000000000 32.065 > 73 111 S 0.66666666666667 0.94653705217165 0.37500000000000 32.065 > 73 112 S 0.00000000000000 0.94653705217165 0.87500000000000 32.065 > 73 113 S 0.33333333333333 0.94653705217165 0.87500000000000 32.065 > 73 114 S 0.66666666666667 0.94653705217165 0.87500000000000 32.065 > 73 115 S 0.16666666666667 0.55346294782835 0.12500000000000 32.065 > 79 116 S 0.50000000000000 0.55346294782835 0.12500000000000 32.065 > 79 117 S 0.83333333333333 0.55346294782835 0.12500000000000 32.065 > 79 118 S 0.16666666666667 0.55346294782835 0.62500000000000 32.065 > 79 119 S 0.50000000000000 0.55346294782835 0.62500000000000 32.065 > 79 120 S 0.83333333333333 0.55346294782835 0.62500000000000 32.065 > 79 121 S 0.16666666666667 0.88604409802086 0.21811111107085 32.065 > 85 122 S 0.50000000000000 0.88604409802086 0.21811111107085 32.065 > 85 123 S 0.83333333333333 0.88604409802086 0.21811111107085 32.065 > 85 124 S 0.16666666666667 0.88604409802086 0.71811111107085 32.065 > 85 125 S 0.50000000000000 0.88604409802086 0.71811111107085 32.065 > 85 126 S 0.83333333333333 0.88604409802086 0.71811111107085 32.065 > 85 127 S 0.00000000000000 0.61395590197914 0.28188888892915 32.065 > 91 128 S 0.33333333333333 0.61395590197914 0.28188888892915 32.065 > 91 129 S 0.66666666666667 0.61395590197914 0.28188888892915 32.065 > 91 130 S 0.00000000000000 0.61395590197914 0.78188888892915 32.065 > 91 131 S 0.33333333333333 0.61395590197914 0.78188888892915 32.065 > 91 132 S 0.66666666666667 0.61395590197914 0.78188888892915 32.065 > 91 133 S 0.00000000000000 0.61395590197914 0.46811111107085 32.065 > 97 134 S 0.33333333333333 0.61395590197914 0.46811111107085 32.065 > 97 135 S 0.66666666666667 0.61395590197914 0.46811111107085 32.065 > 97 136 S 0.00000000000000 0.61395590197914 0.96811111107085 32.065 > 97 137 S 0.33333333333333 0.61395590197914 0.96811111107085 32.065 > 97 138 S 0.66666666666667 0.61395590197914 0.96811111107085 32.065 > 97 139 S 0.16666666666667 0.88604409802086 0.03188888892915 32.065 > 103 140 S 0.50000000000000 0.88604409802086 0.03188888892915 32.065 > 103 141 S 0.83333333333333 0.88604409802086 0.03188888892915 32.065 > 103 142 S 0.16666666666667 0.88604409802086 0.53188888892915 32.065 > 103 143 S 0.50000000000000 0.88604409802086 0.53188888892915 32.065 > 103 144 S 0.83333333333333 0.88604409802086 0.53188888892915 32.065 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.6666821 0.0000000 0.0000000 0.0000000 4.6042244 0.0000000 0.0000000 0.0000000 9.0859562 -------------------------- Born effective charges -------------------------- 1 Ce 5.9735969 0.0000000 0.0000000 0.0000000 1.5970707 0.1613914 0.0000000 0.2099838 6.1335196 2 Ce 5.9735969 0.0000000 0.0000000 0.0000000 1.5970707 -0.1613914 0.0000000 -0.2099838 6.1335196 3 Cu 0.3415178 0.0000000 0.0000000 0.0000000 0.2274176 0.0000000 0.0000000 0.0000000 -0.1508405 4 Cu 0.3415178 0.0000000 0.0000000 0.0000000 0.2274176 0.0000000 0.0000000 0.0000000 -0.1508405 5 Cs 1.1487173 0.0000000 0.0000000 0.0000000 2.1032800 0.0000000 0.0000000 0.0000000 1.1698162 6 Cs 1.1487173 0.0000000 0.0000000 0.0000000 2.1032800 0.0000000 0.0000000 0.0000000 1.1698162 7 S -1.1538893 0.0000000 0.0000000 0.0000000 -0.8741324 0.0000000 0.0000000 0.0000000 -4.3183053 8 S -1.1538893 0.0000000 0.0000000 0.0000000 -0.8741324 0.0000000 0.0000000 0.0000000 -4.3183053 9 S -3.1549714 0.0000000 0.0000000 0.0000000 -1.5268180 -0.0931234 0.0000000 -0.5790431 -1.4170950 10 S -3.1549714 0.0000000 0.0000000 0.0000000 -1.5268180 -0.0931234 0.0000000 -0.5790431 -1.4170950 11 S -3.1549714 0.0000000 0.0000000 0.0000000 -1.5268180 0.0931234 0.0000000 0.5790431 -1.4170950 12 S -3.1549714 0.0000000 0.0000000 0.0000000 -1.5268180 0.0931234 0.0000000 0.5790431 -1.4170950 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:51:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:51:57]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [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 1.997731029999999 -7.501190799999999 0.000000000000000 b 1.997731029999999 7.501190799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.301538979999998 Atomic positions (fractional): 1 Ce 0.00000000000000 0.00000000000000 0.50000000000000 140.116 2 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 3 Cu 0.46794715819105 0.53205284180894 0.75000000000000 63.546 4 Cu 0.53205284180894 0.46794715819105 0.25000000000000 63.546 5 Cs 0.74058724884440 0.25941275115560 0.75000000000000 132.905 6 Cs 0.25941275115560 0.74058724884440 0.25000000000000 132.905 7 S 0.05346294782835 0.94653705217165 0.75000000000000 32.065 8 S 0.94653705217165 0.05346294782835 0.25000000000000 32.065 9 S 0.61395590197914 0.38604409802086 0.43622222214169 32.065 10 S 0.38604409802086 0.61395590197914 0.56377777785831 32.065 11 S 0.38604409802086 0.61395590197914 0.93622222214169 32.065 12 S 0.61395590197914 0.38604409802086 0.06377777785831 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.986386179999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.002381599999998 0.000000000000000 c 0.000000000000000 0.000000000000000 20.603077959999997 Atomic positions (fractional): 1 Ce 0.00000000000000 0.00000000000000 0.25000000000000 140.116 > 1 2 Ce 0.33333333333333 0.00000000000000 0.25000000000000 140.116 > 1 3 Ce 0.66666666666667 0.00000000000000 0.25000000000000 140.116 > 1 4 Ce 0.00000000000000 0.00000000000000 0.75000000000000 140.116 > 1 5 Ce 0.33333333333333 0.00000000000000 0.75000000000000 140.116 > 1 6 Ce 0.66666666666667 0.00000000000000 0.75000000000000 140.116 > 1 7 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 > 7 8 Ce 0.33333333333333 0.00000000000000 0.00000000000000 140.116 > 7 9 Ce 0.66666666666667 0.00000000000000 0.00000000000000 140.116 > 7 10 Ce 0.00000000000000 0.00000000000000 0.50000000000000 140.116 > 7 11 Ce 0.33333333333333 0.00000000000000 0.50000000000000 140.116 > 7 12 Ce 0.66666666666667 0.00000000000000 0.50000000000000 140.116 > 7 13 Ce 0.16666666666667 0.50000000000000 0.25000000000000 140.116 > 1 14 Ce 0.50000000000000 0.50000000000000 0.25000000000000 140.116 > 1 15 Ce 0.83333333333333 0.50000000000000 0.25000000000000 140.116 > 1 16 Ce 0.16666666666667 0.50000000000000 0.75000000000000 140.116 > 1 17 Ce 0.50000000000000 0.50000000000000 0.75000000000000 140.116 > 1 18 Ce 0.83333333333333 0.50000000000000 0.75000000000000 140.116 > 1 19 Ce 0.16666666666667 0.50000000000000 0.00000000000000 140.116 > 7 20 Ce 0.50000000000000 0.50000000000000 0.00000000000000 140.116 > 7 21 Ce 0.83333333333333 0.50000000000000 0.00000000000000 140.116 > 7 22 Ce 0.16666666666667 0.50000000000000 0.50000000000000 140.116 > 7 23 Ce 0.50000000000000 0.50000000000000 0.50000000000000 140.116 > 7 24 Ce 0.83333333333333 0.50000000000000 0.50000000000000 140.116 > 7 25 Cu 0.16666666666667 0.03205284180894 0.37500000000000 63.546 > 25 26 Cu 0.50000000000000 0.03205284180894 0.37500000000000 63.546 > 25 27 Cu 0.83333333333333 0.03205284180894 0.37500000000000 63.546 > 25 28 Cu 0.16666666666667 0.03205284180894 0.87500000000000 63.546 > 25 29 Cu 0.50000000000000 0.03205284180894 0.87500000000000 63.546 > 25 30 Cu 0.83333333333333 0.03205284180894 0.87500000000000 63.546 > 25 31 Cu 0.00000000000000 0.46794715819105 0.12500000000000 63.546 > 31 32 Cu 0.33333333333333 0.46794715819105 0.12500000000000 63.546 > 31 33 Cu 0.66666666666667 0.46794715819105 0.12500000000000 63.546 > 31 34 Cu 0.00000000000000 0.46794715819105 0.62500000000000 63.546 > 31 35 Cu 0.33333333333333 0.46794715819105 0.62500000000000 63.546 > 31 36 Cu 0.66666666666667 0.46794715819105 0.62500000000000 63.546 > 31 37 Cu 0.00000000000000 0.53205284180894 0.37500000000000 63.546 > 25 38 Cu 0.33333333333333 0.53205284180894 0.37500000000000 63.546 > 25 39 Cu 0.66666666666667 0.53205284180894 0.37500000000000 63.546 > 25 40 Cu 0.00000000000000 0.53205284180894 0.87500000000000 63.546 > 25 41 Cu 0.33333333333333 0.53205284180894 0.87500000000000 63.546 > 25 42 Cu 0.66666666666667 0.53205284180894 0.87500000000000 63.546 > 25 43 Cu 0.16666666666667 0.96794715819106 0.12500000000000 63.546 > 31 44 Cu 0.50000000000000 0.96794715819106 0.12500000000000 63.546 > 31 45 Cu 0.83333333333333 0.96794715819106 0.12500000000000 63.546 > 31 46 Cu 0.16666666666667 0.96794715819106 0.62500000000000 63.546 > 31 47 Cu 0.50000000000000 0.96794715819106 0.62500000000000 63.546 > 31 48 Cu 0.83333333333333 0.96794715819106 0.62500000000000 63.546 > 31 49 Cs 0.00000000000000 0.25941275115560 0.37500000000000 132.905 > 49 50 Cs 0.33333333333333 0.25941275115560 0.37500000000000 132.905 > 49 51 Cs 0.66666666666667 0.25941275115560 0.37500000000000 132.905 > 49 52 Cs 0.00000000000000 0.25941275115560 0.87500000000000 132.905 > 49 53 Cs 0.33333333333333 0.25941275115560 0.87500000000000 132.905 > 49 54 Cs 0.66666666666667 0.25941275115560 0.87500000000000 132.905 > 49 55 Cs 0.16666666666667 0.24058724884440 0.12500000000000 132.905 > 55 56 Cs 0.50000000000000 0.24058724884440 0.12500000000000 132.905 > 55 57 Cs 0.83333333333333 0.24058724884440 0.12500000000000 132.905 > 55 58 Cs 0.16666666666667 0.24058724884440 0.62500000000000 132.905 > 55 59 Cs 0.50000000000000 0.24058724884440 0.62500000000000 132.905 > 55 60 Cs 0.83333333333333 0.24058724884440 0.62500000000000 132.905 > 55 61 Cs 0.16666666666667 0.75941275115560 0.37500000000000 132.905 > 49 62 Cs 0.50000000000000 0.75941275115560 0.37500000000000 132.905 > 49 63 Cs 0.83333333333333 0.75941275115560 0.37500000000000 132.905 > 49 64 Cs 0.16666666666667 0.75941275115560 0.87500000000000 132.905 > 49 65 Cs 0.50000000000000 0.75941275115560 0.87500000000000 132.905 > 49 66 Cs 0.83333333333333 0.75941275115560 0.87500000000000 132.905 > 49 67 Cs 0.00000000000000 0.74058724884440 0.12500000000000 132.905 > 55 68 Cs 0.33333333333333 0.74058724884440 0.12500000000000 132.905 > 55 69 Cs 0.66666666666667 0.74058724884440 0.12500000000000 132.905 > 55 70 Cs 0.00000000000000 0.74058724884440 0.62500000000000 132.905 > 55 71 Cs 0.33333333333333 0.74058724884440 0.62500000000000 132.905 > 55 72 Cs 0.66666666666667 0.74058724884440 0.62500000000000 132.905 > 55 73 S 0.16666666666667 0.44653705217165 0.37500000000000 32.065 > 73 74 S 0.50000000000000 0.44653705217165 0.37500000000000 32.065 > 73 75 S 0.83333333333333 0.44653705217165 0.37500000000000 32.065 > 73 76 S 0.16666666666667 0.44653705217165 0.87500000000000 32.065 > 73 77 S 0.50000000000000 0.44653705217165 0.87500000000000 32.065 > 73 78 S 0.83333333333333 0.44653705217165 0.87500000000000 32.065 > 73 79 S 0.00000000000000 0.05346294782835 0.12500000000000 32.065 > 79 80 S 0.33333333333333 0.05346294782835 0.12500000000000 32.065 > 79 81 S 0.66666666666667 0.05346294782835 0.12500000000000 32.065 > 79 82 S 0.00000000000000 0.05346294782835 0.62500000000000 32.065 > 79 83 S 0.33333333333333 0.05346294782835 0.62500000000000 32.065 > 79 84 S 0.66666666666667 0.05346294782835 0.62500000000000 32.065 > 79 85 S 0.00000000000000 0.38604409802086 0.21811111107085 32.065 > 85 86 S 0.33333333333333 0.38604409802086 0.21811111107085 32.065 > 85 87 S 0.66666666666667 0.38604409802086 0.21811111107085 32.065 > 85 88 S 0.00000000000000 0.38604409802086 0.71811111107085 32.065 > 85 89 S 0.33333333333333 0.38604409802086 0.71811111107085 32.065 > 85 90 S 0.66666666666667 0.38604409802086 0.71811111107085 32.065 > 85 91 S 0.16666666666667 0.11395590197914 0.28188888892915 32.065 > 91 92 S 0.50000000000000 0.11395590197914 0.28188888892915 32.065 > 91 93 S 0.83333333333333 0.11395590197914 0.28188888892915 32.065 > 91 94 S 0.16666666666667 0.11395590197914 0.78188888892915 32.065 > 91 95 S 0.50000000000000 0.11395590197914 0.78188888892915 32.065 > 91 96 S 0.83333333333333 0.11395590197914 0.78188888892915 32.065 > 91 97 S 0.16666666666667 0.11395590197914 0.46811111107085 32.065 > 97 98 S 0.50000000000000 0.11395590197914 0.46811111107085 32.065 > 97 99 S 0.83333333333333 0.11395590197914 0.46811111107085 32.065 > 97 100 S 0.16666666666667 0.11395590197914 0.96811111107085 32.065 > 97 101 S 0.50000000000000 0.11395590197914 0.96811111107085 32.065 > 97 102 S 0.83333333333333 0.11395590197914 0.96811111107085 32.065 > 97 103 S 0.00000000000000 0.38604409802086 0.03188888892915 32.065 > 103 104 S 0.33333333333333 0.38604409802086 0.03188888892915 32.065 > 103 105 S 0.66666666666667 0.38604409802086 0.03188888892915 32.065 > 103 106 S 0.00000000000000 0.38604409802086 0.53188888892915 32.065 > 103 107 S 0.33333333333333 0.38604409802086 0.53188888892915 32.065 > 103 108 S 0.66666666666667 0.38604409802086 0.53188888892915 32.065 > 103 109 S 0.00000000000000 0.94653705217165 0.37500000000000 32.065 > 73 110 S 0.33333333333333 0.94653705217165 0.37500000000000 32.065 > 73 111 S 0.66666666666667 0.94653705217165 0.37500000000000 32.065 > 73 112 S 0.00000000000000 0.94653705217165 0.87500000000000 32.065 > 73 113 S 0.33333333333333 0.94653705217165 0.87500000000000 32.065 > 73 114 S 0.66666666666667 0.94653705217165 0.87500000000000 32.065 > 73 115 S 0.16666666666667 0.55346294782835 0.12500000000000 32.065 > 79 116 S 0.50000000000000 0.55346294782835 0.12500000000000 32.065 > 79 117 S 0.83333333333333 0.55346294782835 0.12500000000000 32.065 > 79 118 S 0.16666666666667 0.55346294782835 0.62500000000000 32.065 > 79 119 S 0.50000000000000 0.55346294782835 0.62500000000000 32.065 > 79 120 S 0.83333333333333 0.55346294782835 0.62500000000000 32.065 > 79 121 S 0.16666666666667 0.88604409802086 0.21811111107085 32.065 > 85 122 S 0.50000000000000 0.88604409802086 0.21811111107085 32.065 > 85 123 S 0.83333333333333 0.88604409802086 0.21811111107085 32.065 > 85 124 S 0.16666666666667 0.88604409802086 0.71811111107085 32.065 > 85 125 S 0.50000000000000 0.88604409802086 0.71811111107085 32.065 > 85 126 S 0.83333333333333 0.88604409802086 0.71811111107085 32.065 > 85 127 S 0.00000000000000 0.61395590197914 0.28188888892915 32.065 > 91 128 S 0.33333333333333 0.61395590197914 0.28188888892915 32.065 > 91 129 S 0.66666666666667 0.61395590197914 0.28188888892915 32.065 > 91 130 S 0.00000000000000 0.61395590197914 0.78188888892915 32.065 > 91 131 S 0.33333333333333 0.61395590197914 0.78188888892915 32.065 > 91 132 S 0.66666666666667 0.61395590197914 0.78188888892915 32.065 > 91 133 S 0.00000000000000 0.61395590197914 0.46811111107085 32.065 > 97 134 S 0.33333333333333 0.61395590197914 0.46811111107085 32.065 > 97 135 S 0.66666666666667 0.61395590197914 0.46811111107085 32.065 > 97 136 S 0.00000000000000 0.61395590197914 0.96811111107085 32.065 > 97 137 S 0.33333333333333 0.61395590197914 0.96811111107085 32.065 > 97 138 S 0.66666666666667 0.61395590197914 0.96811111107085 32.065 > 97 139 S 0.16666666666667 0.88604409802086 0.03188888892915 32.065 > 103 140 S 0.50000000000000 0.88604409802086 0.03188888892915 32.065 > 103 141 S 0.83333333333333 0.88604409802086 0.03188888892915 32.065 > 103 142 S 0.16666666666667 0.88604409802086 0.53188888892915 32.065 > 103 143 S 0.50000000000000 0.88604409802086 0.53188888892915 32.065 > 103 144 S 0.83333333333333 0.88604409802086 0.53188888892915 32.065 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.6666821 0.0000000 0.0000000 0.0000000 4.6042244 0.0000000 0.0000000 0.0000000 9.0859562 -------------------------- Born effective charges -------------------------- 1 Ce 5.9735969 0.0000000 0.0000000 0.0000000 1.5970707 0.1613914 0.0000000 0.2099838 6.1335196 2 Ce 5.9735969 0.0000000 0.0000000 0.0000000 1.5970707 -0.1613914 0.0000000 -0.2099838 6.1335196 3 Cu 0.3415178 0.0000000 0.0000000 0.0000000 0.2274176 0.0000000 0.0000000 0.0000000 -0.1508405 4 Cu 0.3415178 0.0000000 0.0000000 0.0000000 0.2274176 0.0000000 0.0000000 0.0000000 -0.1508405 5 Cs 1.1487173 0.0000000 0.0000000 0.0000000 2.1032800 0.0000000 0.0000000 0.0000000 1.1698162 6 Cs 1.1487173 0.0000000 0.0000000 0.0000000 2.1032800 0.0000000 0.0000000 0.0000000 1.1698162 7 S -1.1538893 0.0000000 0.0000000 0.0000000 -0.8741324 0.0000000 0.0000000 0.0000000 -4.3183053 8 S -1.1538893 0.0000000 0.0000000 0.0000000 -0.8741324 0.0000000 0.0000000 0.0000000 -4.3183053 9 S -3.1549714 0.0000000 0.0000000 0.0000000 -1.5268180 -0.0931234 0.0000000 -0.5790431 -1.4170950 10 S -3.1549714 0.0000000 0.0000000 0.0000000 -1.5268180 -0.0931234 0.0000000 -0.5790431 -1.4170950 11 S -3.1549714 0.0000000 0.0000000 0.0000000 -1.5268180 0.0931234 0.0000000 0.5790431 -1.4170950 12 S -3.1549714 0.0000000 0.0000000 0.0000000 -1.5268180 0.0931234 0.0000000 0.5790431 -1.4170950 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 307, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.383 ( 0.000 0.000 0.000) 0.000 1.424 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 2.200 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.419 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.593 ( 0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 6.772 ( 0.000 0.000 0.000) 0.000 7.029 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.248 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 9.734 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 17.986 -4.888 0.000) 18.639 0.465 ( 22.762 -2.635 0.000) 22.914 0.810 ( 37.330 -5.861 0.000) 37.787 1.414 ( 3.527 1.342 0.000) 3.774 1.477 ( 5.111 -0.208 0.000) 5.115 1.603 ( -3.596 2.009 0.000) 4.119 1.783 ( 2.492 -0.062 0.000) 2.493 1.891 ( 8.863 1.358 0.000) 8.966 2.203 ( -0.070 -1.486 0.000) 1.487 2.381 ( 15.979 0.036 0.000) 15.980 2.427 ( -4.008 -1.376 0.000) 4.238 2.528 ( -0.376 -0.218 0.000) 0.434 2.688 ( 2.802 0.085 0.000) 2.804 2.975 ( 0.630 -0.089 0.000) 0.637 3.151 ( 6.822 -0.055 0.000) 6.822 3.428 ( 1.255 0.136 0.000) 1.262 3.980 ( -2.085 0.037 0.000) 2.085 4.525 ( -1.457 -0.183 0.000) 1.468 6.071 ( 4.694 -0.071 0.000) 4.694 6.398 ( 1.603 -0.015 0.000) 1.603 6.469 ( 1.302 0.166 0.000) 1.312 6.578 ( 6.692 -0.020 0.000) 6.692 6.612 ( 2.765 1.192 0.000) 3.011 6.714 ( 2.035 -0.430 0.000) 2.080 6.766 ( -0.508 0.065 0.000) 0.513 7.010 ( -2.006 -0.133 0.000) 2.011 7.191 ( -1.522 1.592 0.000) 2.203 7.239 ( -1.260 -1.267 0.000) 1.786 7.513 ( -2.576 0.738 0.000) 2.680 8.103 ( -1.204 -0.134 0.000) 1.211 8.146 ( 4.044 22.976 0.000) 23.329 8.218 ( 0.780 0.230 0.000) 0.813 8.389 ( -2.949 -0.805 0.000) 3.057 8.581 ( -3.115 -7.569 0.000) 8.185 8.651 ( -1.659 -0.268 0.000) 1.680 9.720 ( -1.437 0.050 0.000) 1.438 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 20.028 -1.741 0.000) 20.104 0.882 ( 18.281 -2.901 0.000) 18.510 1.435 ( 23.314 -6.166 0.000) 24.115 1.493 ( 3.454 4.765 0.000) 5.885 1.546 ( 1.662 0.244 0.000) 1.680 1.609 ( 8.151 -0.271 0.000) 8.156 1.840 ( 3.016 0.104 0.000) 3.017 2.133 ( 16.149 4.706 0.000) 16.820 2.215 ( 0.459 -2.078 0.000) 2.128 2.357 ( -2.421 -0.217 0.000) 2.430 2.540 ( 2.397 -0.367 0.000) 2.425 2.733 ( 7.741 0.289 0.000) 7.746 2.733 ( 12.339 0.265 0.000) 12.342 3.006 ( 2.760 -0.319 0.000) 2.779 3.335 ( 11.875 -0.233 0.000) 11.878 3.486 ( 5.717 0.147 0.000) 5.719 3.920 ( -4.041 0.007 0.000) 4.041 4.496 ( -1.426 -0.388 0.000) 1.478 6.187 ( 6.703 -0.113 0.000) 6.704 6.436 ( 2.036 -0.152 0.000) 2.042 6.472 ( -0.909 0.024 0.000) 0.909 6.692 ( 5.053 2.737 0.000) 5.747 6.742 ( 8.526 -0.082 0.000) 8.527 6.755 ( 1.731 -1.890 0.000) 2.563 6.757 ( 0.815 0.240 0.000) 0.850 6.953 ( -3.984 -0.270 0.000) 3.993 7.153 ( -1.247 0.933 0.000) 1.558 7.216 ( -1.796 -1.853 0.000) 2.581 7.437 ( -4.809 0.804 0.000) 4.876 8.077 ( -1.489 -0.402 0.000) 1.543 8.092 ( -1.472 6.367 0.000) 6.535 8.235 ( 1.235 0.711 0.000) 1.425 8.319 ( -4.510 -0.712 0.000) 4.566 8.555 ( -0.930 1.876 0.000) 2.094 8.608 ( -2.936 -0.434 0.000) 2.968 9.684 ( -2.124 0.093 0.000) 2.126 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 19.348 1.874 0.000) 19.439 1.161 ( 8.831 -2.058 0.000) 9.068 1.461 ( -1.194 3.356 0.000) 3.562 1.721 ( 13.198 0.320 0.000) 13.202 1.768 ( 9.801 -0.474 0.000) 9.812 1.797 ( 10.616 -3.680 0.000) 11.235 1.883 ( 1.553 0.572 0.000) 1.655 2.223 ( -1.573 5.072 0.000) 5.311 2.248 ( 2.253 -1.494 0.000) 2.703 2.461 ( 7.564 0.040 0.000) 7.564 2.695 ( 12.988 -1.379 0.000) 13.061 2.748 ( 1.204 -0.954 0.000) 1.536 3.014 ( 9.886 0.214 0.000) 9.888 3.081 ( 4.524 -0.358 0.000) 4.538 3.598 ( 14.835 -0.515 0.000) 14.844 3.680 ( 14.541 0.127 0.000) 14.541 3.825 ( -5.847 -0.107 0.000) 5.848 4.481 ( -0.338 -0.530 0.000) 0.629 6.312 ( 5.905 -0.001 0.000) 5.905 6.447 ( -1.373 0.209 0.000) 1.389 6.469 ( 1.043 -0.389 0.000) 1.114 6.694 ( -2.682 1.301 0.000) 2.981 6.753 ( 0.482 0.143 0.000) 0.503 6.826 ( 3.070 -0.713 0.000) 3.152 6.862 ( -5.348 -0.248 0.000) 5.354 6.931 ( 8.982 0.088 0.000) 8.982 7.150 ( 1.015 0.636 0.000) 1.198 7.196 ( -0.699 -2.178 0.000) 2.288 7.328 ( -5.574 0.920 0.000) 5.649 8.040 ( -1.492 1.294 0.000) 1.975 8.057 ( -0.670 -0.556 0.000) 0.871 8.233 ( -4.402 -0.282 0.000) 4.411 8.255 ( 1.186 1.166 0.000) 1.664 8.525 ( -0.702 4.007 0.000) 4.068 8.546 ( -3.601 -0.484 0.000) 3.633 9.642 ( -1.990 0.113 0.000) 1.993 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 2.611 -0.586 0.000) 2.676 1.429 ( -1.044 1.277 0.000) 1.650 1.448 ( 15.451 5.212 0.000) 16.306 1.887 ( 0.284 1.162 0.000) 1.196 1.927 ( 3.852 2.463 0.000) 4.572 1.946 ( 5.729 0.956 0.000) 5.808 1.974 ( 10.768 -0.382 0.000) 10.775 2.194 ( 0.420 -3.808 0.000) 3.831 2.341 ( 7.949 -0.528 0.000) 7.967 2.573 ( 5.169 -0.089 0.000) 5.170 2.726 ( -1.126 -0.819 0.000) 1.392 3.003 ( 13.381 -1.281 0.000) 13.442 3.133 ( 3.659 0.054 0.000) 3.660 3.172 ( 4.434 -0.272 0.000) 4.443 3.697 ( -7.483 -0.226 0.000) 7.486 3.886 ( 14.045 -0.586 0.000) 14.058 3.993 ( 16.266 0.156 0.000) 16.267 4.487 ( 0.602 -0.513 0.000) 0.791 6.402 ( 3.241 0.388 0.000) 3.264 6.420 ( -1.114 0.169 0.000) 1.127 6.476 ( -0.590 -0.690 0.000) 0.908 6.620 ( -3.815 0.656 0.000) 3.871 6.756 ( -5.289 -0.005 0.000) 5.289 6.777 ( 2.077 0.118 0.000) 2.081 6.853 ( 0.095 -0.454 0.000) 0.464 7.079 ( 6.190 0.170 0.000) 6.193 7.110 ( -4.715 -1.598 0.000) 4.978 7.228 ( -4.169 0.468 0.000) 4.195 7.272 ( 6.485 0.615 0.000) 6.514 8.029 ( 0.525 -0.083 0.000) 0.532 8.059 ( 0.578 -0.517 0.000) 0.776 8.163 ( -2.796 -0.178 0.000) 2.801 8.267 ( 0.709 1.323 0.000) 1.501 8.478 ( -3.594 -0.454 0.000) 3.622 8.482 ( -2.019 3.461 0.000) 4.007 9.608 ( -1.522 0.098 0.000) 1.525 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 1.291 -0.148 0.000) 1.299 1.401 ( -1.671 0.042 0.000) 1.672 1.645 ( 7.456 8.058 0.000) 10.978 1.877 ( -0.738 1.482 0.000) 1.656 1.889 ( -1.279 2.355 0.000) 2.680 2.071 ( 5.962 0.998 0.000) 6.045 2.101 ( 3.230 0.082 0.000) 3.231 2.245 ( 0.378 -6.425 0.000) 6.436 2.561 ( 13.094 -0.438 0.000) 13.101 2.666 ( 4.009 -0.655 0.000) 4.062 2.717 ( -0.024 -1.023 0.000) 1.023 3.180 ( 1.580 -0.036 0.000) 1.580 3.209 ( 7.614 -0.466 0.000) 7.628 3.247 ( 3.115 -0.181 0.000) 3.121 3.543 ( -8.408 -0.222 0.000) 8.411 4.117 ( 9.151 -0.231 0.000) 9.154 4.260 ( 10.923 0.146 0.000) 10.924 4.504 ( 0.793 -0.349 0.000) 0.867 6.392 ( -1.225 0.187 0.000) 1.239 6.441 ( 0.814 0.788 0.000) 1.133 6.457 ( -1.557 -0.854 0.000) 1.776 6.562 ( -1.731 -0.007 0.000) 1.731 6.666 ( -3.622 0.332 0.000) 3.637 6.831 ( 3.203 0.072 0.000) 3.204 6.858 ( 0.432 -0.196 0.000) 0.474 7.026 ( -4.193 -1.360 0.000) 4.408 7.152 ( -3.453 -0.043 0.000) 3.453 7.166 ( 3.021 0.168 0.000) 3.026 7.395 ( 5.961 0.828 0.000) 6.018 8.055 ( 1.902 -0.363 0.000) 1.936 8.081 ( 1.268 -0.343 0.000) 1.314 8.134 ( -0.185 -0.226 0.000) 0.292 8.269 ( 0.185 1.058 0.000) 1.074 8.408 ( -4.066 2.282 0.000) 4.663 8.417 ( -2.871 -0.350 0.000) 2.892 9.583 ( -1.023 0.060 0.000) 1.025 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 1.518 -0.057 0.000) 1.519 1.366 ( -1.874 -0.136 0.000) 1.879 1.653 ( -0.615 4.255 0.000) 4.299 1.874 ( 0.220 0.458 0.000) 0.508 1.888 ( 1.166 0.331 0.000) 1.212 2.133 ( 0.665 0.174 0.000) 0.688 2.160 ( 3.684 1.463 0.000) 3.964 2.250 ( -2.102 -3.547 0.000) 4.123 2.719 ( 1.071 -0.416 0.000) 1.149 2.735 ( 1.035 -0.451 0.000) 1.129 2.779 ( 7.410 -0.239 0.000) 7.414 3.200 ( 0.481 -0.026 0.000) 0.482 3.288 ( 1.127 -0.059 0.000) 1.128 3.307 ( 2.411 -0.107 0.000) 2.413 3.399 ( -5.294 -0.073 0.000) 5.295 4.234 ( 2.981 0.009 0.000) 2.981 4.401 ( 3.686 0.063 0.000) 3.687 4.517 ( 0.357 -0.124 0.000) 0.378 6.374 ( -0.517 0.060 0.000) 0.521 6.435 ( -0.838 -0.415 0.000) 0.935 6.442 ( 0.002 0.475 0.000) 0.475 6.546 ( -0.311 -0.144 0.000) 0.343 6.618 ( -1.205 0.228 0.000) 1.226 6.869 ( 0.445 -0.041 0.000) 0.446 6.883 ( 1.690 0.012 0.000) 1.690 6.973 ( -1.671 -0.570 0.000) 1.765 7.103 ( -1.413 -0.044 0.000) 1.414 7.199 ( 0.733 0.075 0.000) 0.737 7.475 ( 2.342 0.313 0.000) 2.363 8.091 ( 1.035 -0.406 0.000) 1.112 8.103 ( 0.711 -0.115 0.000) 0.720 8.158 ( 2.224 -0.129 0.000) 2.227 8.266 ( -0.018 0.409 0.000) 0.409 8.313 ( -4.013 1.047 0.000) 4.147 8.377 ( -1.188 -0.140 0.000) 1.196 9.569 ( -0.383 0.019 0.000) 0.383 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 21.294 -0.000 0.000) 21.294 0.867 ( 18.660 -0.000 0.000) 18.660 1.402 ( 24.203 -0.000 0.000) 24.203 1.523 ( 7.657 -0.000 0.000) 7.657 1.542 ( -3.061 0.000 0.000) 3.061 1.608 ( 8.149 -0.000 0.000) 8.149 1.841 ( 3.091 -0.000 0.000) 3.091 2.158 ( 17.933 -0.000 0.000) 17.933 2.204 ( 0.712 -0.000 0.000) 0.712 2.354 ( -4.015 0.000 0.000) 4.015 2.539 ( 2.185 -0.000 0.000) 2.185 2.735 ( 18.444 -0.000 0.000) 18.444 2.735 ( 1.522 -0.000 0.000) 1.522 3.005 ( 2.747 -0.000 0.000) 2.747 3.333 ( 11.840 -0.000 0.000) 11.840 3.487 ( 5.687 -0.000 0.000) 5.687 3.920 ( -4.063 0.000 0.000) 4.063 4.494 ( -1.431 0.000 0.000) 1.431 6.186 ( 6.724 -0.000 0.000) 6.724 6.435 ( 2.002 -0.000 0.000) 2.002 6.472 ( -0.846 0.000 0.000) 0.846 6.711 ( 6.472 -0.000 0.000) 6.472 6.740 ( 0.154 -0.000 0.000) 0.154 6.742 ( 8.249 -0.000 0.000) 8.249 6.758 ( 1.112 -0.000 0.000) 1.112 6.951 ( -3.985 0.000 0.000) 3.985 7.160 ( -1.479 0.000 0.000) 1.479 7.205 ( -1.751 0.000 0.000) 1.751 7.441 ( -4.857 0.000 0.000) 4.857 8.074 ( -1.502 0.000 0.000) 1.502 8.126 ( -4.733 0.000 0.000) 4.733 8.239 ( 1.286 -0.000 0.000) 1.286 8.315 ( -4.249 0.000 0.000) 4.249 8.566 ( 0.147 -0.000 0.000) 0.147 8.605 ( -2.911 0.000 0.000) 2.911 9.684 ( -2.126 0.000 0.000) 2.126 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 20.575 0.917 0.000) 20.595 1.146 ( 9.625 -0.734 0.000) 9.653 1.486 ( -2.320 1.284 0.000) 2.651 1.723 ( 12.908 0.051 0.000) 12.908 1.755 ( 13.114 -1.335 0.000) 13.182 1.777 ( 9.129 -0.468 0.000) 9.141 1.888 ( 1.653 0.209 0.000) 1.666 2.237 ( 2.788 -0.563 0.000) 2.844 2.262 ( -4.643 2.153 0.000) 5.118 2.460 ( 8.871 -0.122 0.000) 8.872 2.684 ( 14.630 -0.582 0.000) 14.642 2.741 ( -0.599 -0.360 0.000) 0.699 3.015 ( 9.814 0.077 0.000) 9.814 3.079 ( 4.583 -0.136 0.000) 4.585 3.594 ( 14.789 -0.184 0.000) 14.790 3.681 ( 14.536 0.046 0.000) 14.536 3.824 ( -5.887 -0.039 0.000) 5.887 4.477 ( -0.312 -0.192 0.000) 0.367 6.312 ( 5.988 0.004 0.000) 5.988 6.449 ( -1.363 0.075 0.000) 1.365 6.466 ( 0.982 -0.140 0.000) 0.991 6.705 ( -3.262 0.658 0.000) 3.328 6.754 ( 0.479 0.049 0.000) 0.482 6.819 ( 3.430 -0.476 0.000) 3.463 6.860 ( -5.347 -0.087 0.000) 5.348 6.932 ( 9.055 0.030 0.000) 9.055 7.159 ( -0.133 1.208 0.000) 1.215 7.176 ( 0.663 -1.724 0.000) 1.847 7.335 ( -5.715 0.325 0.000) 5.725 8.049 ( -2.576 0.438 0.000) 2.613 8.053 ( -0.626 -0.189 0.000) 0.654 8.231 ( -4.238 -0.093 0.000) 4.239 8.263 ( 1.193 0.417 0.000) 1.264 8.543 ( -3.560 -0.182 0.000) 3.565 8.554 ( -1.031 1.478 0.000) 1.802 9.643 ( -2.000 0.041 0.000) 2.000 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 3.071 -0.334 0.000) 3.089 1.440 ( -1.937 0.734 0.000) 2.071 1.493 ( 16.377 3.223 0.000) 16.691 1.896 ( 0.329 0.652 0.000) 0.730 1.940 ( 7.616 0.475 0.000) 7.630 1.958 ( 6.158 1.071 0.000) 6.251 1.971 ( 10.782 -0.222 0.000) 10.784 2.163 ( -4.328 -2.059 0.000) 4.793 2.337 ( 8.223 -0.305 0.000) 8.229 2.573 ( 4.897 0.143 0.000) 4.899 2.718 ( -1.424 -0.655 0.000) 1.567 2.992 ( 13.967 -0.749 0.000) 13.987 3.134 ( 3.595 0.030 0.000) 3.595 3.169 ( 4.493 -0.158 0.000) 4.495 3.695 ( -7.499 -0.127 0.000) 7.500 3.882 ( 14.162 -0.331 0.000) 14.166 3.994 ( 16.263 0.088 0.000) 16.263 4.483 ( 0.683 -0.291 0.000) 0.742 6.406 ( 3.568 0.233 0.000) 3.575 6.422 ( -1.303 0.083 0.000) 1.306 6.470 ( -0.667 -0.387 0.000) 0.771 6.626 ( -4.102 0.475 0.000) 4.129 6.756 ( -5.186 0.004 0.000) 5.186 6.778 ( 2.110 0.059 0.000) 2.111 6.849 ( 0.264 -0.331 0.000) 0.423 7.080 ( 6.193 0.095 0.000) 6.194 7.097 ( -4.696 -0.902 0.000) 4.782 7.231 ( -4.627 0.250 0.000) 4.634 7.277 ( 6.909 0.314 0.000) 6.916 8.028 ( 0.354 0.001 0.000) 0.354 8.055 ( 0.673 -0.268 0.000) 0.724 8.161 ( -2.825 -0.085 0.000) 2.826 8.277 ( 0.598 0.746 0.000) 0.956 8.474 ( -3.545 -0.280 0.000) 3.556 8.510 ( -2.746 1.910 0.000) 3.345 9.609 ( -1.542 0.056 0.000) 1.543 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 1.339 -0.100 0.000) 1.342 1.401 ( -1.955 0.024 0.000) 1.955 1.718 ( 8.460 5.900 0.000) 10.314 1.889 ( -0.519 0.837 0.000) 0.985 1.922 ( -4.337 4.092 0.000) 5.963 2.080 ( 6.161 0.700 0.000) 6.201 2.102 ( 3.453 0.057 0.000) 3.454 2.176 ( 1.092 -6.987 0.000) 7.072 2.557 ( 13.106 -0.311 0.000) 13.110 2.661 ( 4.049 -0.181 0.000) 4.053 2.706 ( 0.012 -1.035 0.000) 1.035 3.180 ( 1.565 -0.026 0.000) 1.565 3.205 ( 7.898 -0.325 0.000) 7.905 3.245 ( 3.158 -0.136 0.000) 3.161 3.541 ( -8.356 -0.156 0.000) 8.357 4.115 ( 9.358 -0.159 0.000) 9.359 4.261 ( 10.897 0.103 0.000) 10.897 4.501 ( 0.897 -0.253 0.000) 0.932 6.394 ( -1.295 0.130 0.000) 1.301 6.448 ( 0.921 0.541 0.000) 1.068 6.450 ( -1.481 -0.596 0.000) 1.596 6.563 ( -1.998 0.066 0.000) 1.999 6.669 ( -3.542 0.239 0.000) 3.550 6.831 ( 3.162 0.040 0.000) 3.162 6.856 ( 0.583 -0.097 0.000) 0.591 7.013 ( -3.944 -1.043 0.000) 4.080 7.152 ( -3.522 -0.027 0.000) 3.522 7.167 ( 2.993 0.118 0.000) 2.995 7.402 ( 5.776 0.543 0.000) 5.801 8.052 ( 1.829 -0.149 0.000) 1.835 8.078 ( 1.382 -0.224 0.000) 1.400 8.132 ( -0.173 -0.216 0.000) 0.277 8.278 ( -0.074 0.762 0.000) 0.765 8.413 ( -2.793 -0.281 0.000) 2.807 8.428 ( -4.692 1.591 0.000) 4.955 9.584 ( -1.045 0.044 0.000) 1.046 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 1.632 -0.026 0.000) 1.632 1.364 ( -1.839 -0.133 0.000) 1.844 1.701 ( -4.504 4.850 0.000) 6.619 1.878 ( -0.267 0.311 0.000) 0.410 1.890 ( 0.804 0.014 0.000) 0.804 2.135 ( 0.533 0.144 0.000) 0.552 2.165 ( 1.472 -0.934 0.000) 1.743 2.220 ( 2.154 -1.753 0.000) 2.777 2.715 ( 1.340 -0.269 0.000) 1.367 2.730 ( 1.582 -0.396 0.000) 1.631 2.777 ( 7.617 -0.198 0.000) 7.620 3.200 ( 0.504 -0.022 0.000) 0.504 3.288 ( 1.177 -0.049 0.000) 1.178 3.306 ( 2.532 -0.104 0.000) 2.534 3.399 ( -5.212 -0.060 0.000) 5.212 4.234 ( 3.024 0.050 0.000) 3.024 4.401 ( 3.626 0.052 0.000) 3.627 4.516 ( 0.461 -0.137 0.000) 0.481 6.375 ( -0.580 0.047 0.000) 0.582 6.431 ( -0.471 -0.357 0.000) 0.591 6.447 ( -0.420 0.396 0.000) 0.577 6.545 ( -0.212 -0.120 0.000) 0.243 6.620 ( -1.382 0.215 0.000) 1.399 6.869 ( 0.489 0.017 0.000) 0.489 6.883 ( 1.669 -0.002 0.000) 1.669 6.967 ( -1.099 -0.499 0.000) 1.207 7.103 ( -1.393 -0.062 0.000) 1.394 7.200 ( 0.663 0.061 0.000) 0.666 7.478 ( 2.029 0.237 0.000) 2.043 8.088 ( 1.339 -0.218 0.000) 1.357 8.102 ( 0.821 -0.097 0.000) 0.826 8.156 ( 2.091 -0.296 0.000) 2.112 8.270 ( -0.403 0.367 0.000) 0.545 8.324 ( -4.712 0.959 0.000) 4.809 8.376 ( -1.060 -0.144 0.000) 1.069 9.569 ( -0.402 0.017 0.000) 0.402 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -1.459 0.078 0.000) 1.461 1.367 ( 1.973 0.106 0.000) 1.976 1.616 ( -3.317 -2.907 0.000) 4.411 1.869 ( -0.745 -0.552 0.000) 0.927 1.884 ( -1.430 -0.467 0.000) 1.504 2.132 ( -0.808 -0.164 0.000) 0.825 2.142 ( -3.583 -1.899 0.000) 4.055 2.285 ( 3.799 3.094 0.000) 4.899 2.724 ( -0.616 0.482 0.000) 0.782 2.739 ( -0.667 0.393 0.000) 0.774 2.782 ( -7.190 0.225 0.000) 7.194 3.200 ( -0.457 0.024 0.000) 0.458 3.289 ( -1.060 0.056 0.000) 1.062 3.308 ( -2.287 0.083 0.000) 2.289 3.400 ( 5.382 0.070 0.000) 5.383 4.234 ( -2.954 0.041 0.000) 2.954 4.400 ( -3.750 -0.061 0.000) 3.750 4.519 ( -0.231 0.076 0.000) 0.243 6.373 ( 0.451 -0.060 0.000) 0.455 6.437 ( -0.444 -0.441 0.000) 0.626 6.439 ( 1.248 0.374 0.000) 1.303 6.548 ( 0.437 0.133 0.000) 0.456 6.616 ( 0.997 -0.181 0.000) 1.013 6.869 ( -0.362 0.091 0.000) 0.373 6.882 ( -1.712 -0.025 0.000) 1.712 6.978 ( 2.197 0.512 0.000) 2.256 7.104 ( 1.458 0.011 0.000) 1.459 7.198 ( -0.807 -0.072 0.000) 0.810 7.472 ( -2.684 -0.321 0.000) 2.703 8.096 ( -0.583 0.607 0.000) 0.841 8.104 ( -0.580 0.106 0.000) 0.589 8.157 ( -2.351 -0.238 0.000) 2.363 8.262 ( -0.399 -0.355 0.000) 0.534 8.304 ( 3.132 -0.828 0.000) 3.240 8.379 ( 1.318 0.102 0.000) 1.322 9.569 ( 0.362 -0.017 0.000) 0.363 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -1.219 0.168 0.000) 1.230 1.400 ( 1.312 -0.055 0.000) 1.313 1.561 ( -7.166 -7.933 0.000) 10.690 1.859 ( 0.138 -1.850 0.000) 1.856 1.872 ( -0.358 -1.316 0.000) 1.364 2.061 ( -5.599 -1.049 0.000) 5.696 2.100 ( -2.958 -0.089 0.000) 2.960 2.305 ( 0.061 5.213 0.000) 5.214 2.566 ( -13.079 0.465 0.000) 13.088 2.675 ( -3.940 1.041 0.000) 4.075 2.726 ( -0.011 0.675 0.000) 0.675 3.181 ( -1.598 0.037 0.000) 1.598 3.214 ( -7.275 0.506 0.000) 7.293 3.249 ( -3.058 0.176 0.000) 3.063 3.546 ( 8.472 0.238 0.000) 8.475 4.119 ( -8.919 0.253 0.000) 8.923 4.258 ( -10.955 -0.156 0.000) 10.956 4.508 ( -0.657 0.361 0.000) 0.749 6.390 ( 1.146 -0.196 0.000) 1.163 6.432 ( -0.706 -0.851 0.000) 1.106 6.467 ( 1.653 0.925 0.000) 1.894 6.563 ( 1.485 0.104 0.000) 1.489 6.663 ( 3.720 -0.347 0.000) 3.736 6.830 ( -3.257 -0.096 0.000) 3.258 6.860 ( -0.302 0.266 0.000) 0.403 7.040 ( 4.512 1.325 0.000) 4.702 7.153 ( 3.374 0.052 0.000) 3.374 7.164 ( -3.056 -0.181 0.000) 3.061 7.386 ( -6.227 -0.959 0.000) 6.300 8.060 ( -2.001 0.654 0.000) 2.105 8.084 ( -1.106 0.408 0.000) 1.179 8.136 ( 0.300 0.072 0.000) 0.308 8.257 ( -0.516 -1.124 0.000) 1.237 8.383 ( 3.237 -2.477 0.000) 4.076 8.420 ( 2.958 0.325 0.000) 2.975 9.582 ( 0.997 -0.063 0.000) 0.999 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -1.985 0.704 0.000) 2.106 1.391 ( -13.743 -5.709 0.000) 14.882 1.415 ( -0.143 -1.511 0.000) 1.518 1.873 ( -0.331 -1.468 0.000) 1.505 1.891 ( -0.516 -4.130 0.000) 4.162 1.939 ( -6.779 -0.465 0.000) 6.795 1.978 ( -10.788 0.446 0.000) 10.798 2.237 ( -3.673 4.527 0.000) 5.830 2.347 ( -7.581 0.619 0.000) 7.606 2.576 ( -5.576 0.517 0.000) 5.600 2.733 ( 0.802 0.544 0.000) 0.969 3.017 ( -12.661 1.476 0.000) 12.747 3.133 ( -3.750 -0.066 0.000) 3.751 3.175 ( -4.359 0.312 0.000) 4.370 3.700 ( 7.459 0.275 0.000) 7.465 3.893 ( -13.875 0.705 0.000) 13.893 3.991 ( -16.270 -0.188 0.000) 16.272 4.493 ( -0.490 0.617 0.000) 0.788 6.398 ( -2.892 -0.409 0.000) 2.921 6.418 ( 0.993 -0.247 0.000) 1.024 6.484 ( 0.478 0.842 0.000) 0.968 6.613 ( 3.523 -0.532 0.000) 3.563 6.756 ( 5.437 0.030 0.000) 5.437 6.776 ( -2.031 -0.172 0.000) 2.038 6.857 ( -0.066 0.370 0.000) 0.376 7.077 ( -6.187 -0.209 0.000) 6.190 7.128 ( 4.814 1.963 0.000) 5.199 7.222 ( 3.485 -0.603 0.000) 3.537 7.264 ( -5.841 -0.883 0.000) 5.907 8.030 ( -0.814 0.272 0.000) 0.858 8.065 ( -0.424 0.716 0.000) 0.832 8.165 ( 2.820 0.290 0.000) 2.834 8.251 ( -0.886 -1.633 0.000) 1.858 8.441 ( 0.973 -4.361 0.000) 4.468 8.483 ( 3.662 0.490 0.000) 3.695 9.607 ( 1.495 -0.117 0.000) 1.499 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -16.815 -1.175 0.000) 16.856 1.187 ( -7.327 2.979 0.000) 7.909 1.421 ( -0.486 -4.374 0.000) 4.401 1.716 ( -14.047 -0.786 0.000) 14.069 1.769 ( -8.801 -0.068 0.000) 8.801 1.837 ( -7.495 3.308 0.000) 8.192 1.876 ( -1.588 -0.744 0.000) 1.754 2.168 ( -3.113 -4.944 0.000) 5.843 2.266 ( -1.410 1.961 0.000) 2.416 2.458 ( -6.967 -0.401 0.000) 6.978 2.710 ( -9.605 1.416 0.000) 9.708 2.760 ( -4.772 1.305 0.000) 4.948 3.011 ( -10.014 -0.303 0.000) 10.019 3.085 ( -4.441 0.460 0.000) 4.464 3.604 ( -14.910 0.740 0.000) 14.929 3.679 ( -14.550 -0.178 0.000) 14.551 3.826 ( 5.776 0.151 0.000) 5.778 4.488 ( 0.383 0.741 0.000) 0.834 6.312 ( -5.756 0.038 0.000) 5.756 6.444 ( 1.385 -0.292 0.000) 1.416 6.474 ( -1.152 0.556 0.000) 1.280 6.682 ( 2.249 -1.037 0.000) 2.476 6.751 ( -0.489 -0.221 0.000) 0.536 6.830 ( -3.120 0.014 0.000) 3.120 6.865 ( 5.370 0.372 0.000) 5.382 6.930 ( -8.869 -0.137 0.000) 8.870 7.147 ( -1.262 0.065 0.000) 1.264 7.220 ( 1.416 2.341 0.000) 2.736 7.317 ( 5.391 -1.305 0.000) 5.546 8.023 ( -0.667 -2.064 0.000) 2.170 8.064 ( 0.757 0.888 0.000) 1.167 8.237 ( 4.634 0.491 0.000) 4.660 8.240 ( -1.187 -1.701 0.000) 2.074 8.476 ( 0.476 -5.443 0.000) 5.464 8.552 ( 3.677 0.634 0.000) 3.731 9.641 ( 1.971 -0.158 0.000) 1.978 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -16.347 4.921 0.000) 17.072 0.925 ( -17.269 5.323 0.000) 18.071 1.433 ( -2.556 -6.643 0.000) 7.118 1.521 ( -20.663 9.926 0.000) 22.923 1.533 ( -3.916 -2.157 0.000) 4.470 1.614 ( -8.424 0.684 0.000) 8.452 1.839 ( -2.773 -0.179 0.000) 2.779 2.067 ( -13.289 -8.004 0.000) 15.513 2.243 ( 0.129 3.274 0.000) 3.276 2.354 ( -0.287 -0.974 0.000) 1.015 2.547 ( -2.986 0.912 0.000) 3.122 2.729 ( -1.928 -0.626 0.000) 2.027 2.730 ( -18.443 -0.420 0.000) 18.448 3.011 ( -2.809 0.481 0.000) 2.850 3.338 ( -11.977 0.422 0.000) 11.985 3.484 ( -5.797 -0.259 0.000) 5.803 3.920 ( 3.981 -0.013 0.000) 3.981 4.502 ( 1.413 0.680 0.000) 1.568 6.188 ( -6.650 0.218 0.000) 6.654 6.438 ( -2.131 0.272 0.000) 2.148 6.471 ( 1.087 -0.057 0.000) 1.088 6.664 ( -5.182 -2.604 0.000) 5.799 6.743 ( -9.417 0.055 0.000) 9.417 6.754 ( 0.130 -0.322 0.000) 0.347 6.770 ( -2.017 0.929 0.000) 2.221 6.957 ( 3.984 0.461 0.000) 4.010 7.146 ( 0.767 -0.334 0.000) 0.836 7.238 ( 1.765 2.276 0.000) 2.880 7.425 ( 4.640 -1.427 0.000) 4.855 8.003 ( -5.756 -10.606 0.000) 12.068 8.083 ( 1.444 0.769 0.000) 1.636 8.225 ( -1.084 -1.290 0.000) 1.685 8.326 ( 4.530 0.573 0.000) 4.566 8.533 ( 3.747 -2.285 0.000) 4.389 8.614 ( 3.007 0.742 0.000) 3.097 9.682 ( 2.118 -0.164 0.000) 2.125 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -12.310 12.751 0.000) 17.723 0.515 ( -20.803 6.886 0.000) 21.913 0.918 ( -33.083 14.378 0.000) 36.073 1.386 ( -3.329 -4.092 0.000) 5.275 1.481 ( -5.013 0.556 0.000) 5.044 1.566 ( 2.856 -4.851 0.000) 5.630 1.784 ( -2.326 0.313 0.000) 2.347 1.864 ( -8.882 -3.905 0.000) 9.702 2.230 ( 0.248 3.587 0.000) 3.595 2.381 ( -15.767 -0.097 0.000) 15.767 2.434 ( 6.684 -1.127 0.000) 6.778 2.540 ( 2.832 2.281 0.000) 3.636 2.686 ( -2.404 -0.343 0.000) 2.428 2.976 ( -0.723 0.174 0.000) 0.743 3.152 ( -6.923 0.128 0.000) 6.924 3.426 ( -1.309 -0.375 0.000) 1.361 3.979 ( 2.061 -0.103 0.000) 2.064 4.529 ( 1.437 0.504 0.000) 1.523 6.073 ( -4.708 0.189 0.000) 4.712 6.398 ( -1.658 0.043 0.000) 1.659 6.465 ( -2.497 -0.638 0.000) 2.578 6.578 ( -6.661 0.054 0.000) 6.662 6.590 ( -2.319 -2.709 0.000) 3.566 6.721 ( -2.504 0.732 0.000) 2.609 6.765 ( 0.514 -0.168 0.000) 0.540 7.012 ( 1.995 0.356 0.000) 2.026 7.168 ( 0.436 -2.455 0.000) 2.493 7.254 ( 0.071 1.216 0.000) 1.218 7.496 ( 0.866 -2.876 0.000) 3.003 7.843 ( -25.329 -30.019 0.000) 39.277 8.106 ( 1.086 0.359 0.000) 1.144 8.213 ( -0.612 -0.616 0.000) 0.869 8.394 ( 2.562 0.266 0.000) 2.576 8.651 ( 9.368 4.796 0.000) 10.524 8.656 ( 1.695 0.733 0.000) 1.846 9.719 ( 1.437 -0.138 0.000) 1.444 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.153 ( -0.000 14.809 0.000) 14.809 0.206 ( -0.000 19.943 0.000) 19.943 0.312 ( -0.000 30.261 0.000) 30.261 1.370 ( 0.000 -2.564 0.000) 2.564 1.427 ( -0.000 0.502 0.000) 0.502 1.631 ( 0.000 -4.499 0.000) 4.499 1.760 ( -0.000 0.453 0.000) 0.453 1.776 ( 0.000 -2.178 0.000) 2.178 2.207 ( 0.000 -0.027 0.000) 0.027 2.218 ( -0.000 3.220 0.000) 3.220 2.520 ( 0.000 -2.515 0.000) 2.515 2.652 ( 0.000 -0.235 0.000) 0.235 2.895 ( 0.000 -1.951 0.000) 1.951 2.995 ( 0.000 -1.567 0.000) 1.567 3.069 ( -0.000 0.053 0.000) 0.053 3.417 ( 0.000 -0.318 0.000) 0.318 3.999 ( 0.000 -0.095 0.000) 0.095 4.542 ( -0.000 0.332 0.000) 0.332 6.023 ( -0.000 0.023 0.000) 0.023 6.232 ( -0.000 0.037 0.000) 0.037 6.381 ( 0.000 -0.030 0.000) 0.030 6.510 ( -0.000 0.074 0.000) 0.074 6.594 ( -0.000 0.096 0.000) 0.096 6.690 ( -0.000 0.025 0.000) 0.025 6.735 ( -0.000 0.022 0.000) 0.022 6.771 ( 0.000 -0.119 0.000) 0.119 7.030 ( -0.000 0.242 0.000) 0.242 7.204 ( 0.000 -1.508 0.000) 1.508 7.325 ( -0.000 1.507 0.000) 1.507 7.563 ( 0.000 -0.716 0.000) 0.716 8.116 ( -0.000 0.107 0.000) 0.107 8.209 ( 0.000 -0.241 0.000) 0.241 8.418 ( -0.000 0.201 0.000) 0.201 8.669 ( -0.000 0.554 0.000) 0.554 8.823 ( 0.000 -0.504 0.000) 0.504 9.734 ( 0.000 -0.097 0.000) 0.097 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 3.240 -0.000 0.000) 3.240 1.444 ( -2.270 0.000 0.000) 2.270 1.510 ( 16.641 -0.000 0.000) 16.641 1.900 ( 0.359 -0.000 0.000) 0.359 1.942 ( 7.974 -0.000 0.000) 7.974 1.964 ( 8.209 -0.000 0.000) 8.209 1.969 ( 10.793 -0.000 0.000) 10.793 2.152 ( -6.894 0.000 0.000) 6.894 2.335 ( 8.325 -0.000 0.000) 8.325 2.574 ( 4.805 -0.000 0.000) 4.805 2.714 ( -1.550 0.000 0.000) 1.550 2.988 ( 14.195 -0.000 0.000) 14.195 3.134 ( 3.571 -0.000 0.000) 3.571 3.168 ( 4.515 -0.000 0.000) 4.515 3.695 ( -7.504 0.000 0.000) 7.504 3.880 ( 14.204 -0.000 0.000) 14.204 3.995 ( 16.262 -0.000 0.000) 16.262 4.482 ( 0.713 -0.000 0.000) 0.713 6.407 ( 3.711 -0.000 0.000) 3.711 6.422 ( -1.402 0.000 0.000) 1.402 6.468 ( -0.695 0.000 0.000) 0.695 6.628 ( -4.227 0.000 0.000) 4.227 6.756 ( -5.149 0.000 0.000) 5.149 6.778 ( 2.122 -0.000 0.000) 2.122 6.847 ( 0.362 -0.000 0.000) 0.362 7.080 ( 6.194 -0.000 0.000) 6.194 7.092 ( -4.698 0.000 0.000) 4.698 7.233 ( -4.787 0.000 0.000) 4.787 7.278 ( 7.053 -0.000 0.000) 7.053 8.028 ( 0.299 -0.000 0.000) 0.299 8.053 ( 0.705 -0.000 0.000) 0.705 8.161 ( -2.842 0.000 0.000) 2.842 8.281 ( 0.561 -0.000 0.000) 0.561 8.473 ( -3.527 0.000 0.000) 3.527 8.520 ( -3.007 0.000 0.000) 3.007 9.609 ( -1.549 0.000 0.000) 1.549 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 1.362 -0.035 0.000) 1.362 1.401 ( -2.110 0.008 0.000) 2.110 1.759 ( 9.132 2.006 0.000) 9.349 1.894 ( -0.552 0.290 0.000) 0.623 1.968 ( -7.347 3.834 0.000) 8.287 2.085 ( 5.521 0.150 0.000) 5.523 2.103 ( 3.578 0.020 0.000) 3.578 2.111 ( 3.593 -4.650 0.000) 5.876 2.555 ( 13.113 -0.112 0.000) 13.114 2.661 ( 4.115 0.042 0.000) 4.115 2.697 ( 0.005 -0.485 0.000) 0.485 3.180 ( 1.556 -0.010 0.000) 1.556 3.203 ( 8.061 -0.117 0.000) 8.062 3.244 ( 3.180 -0.050 0.000) 3.181 3.540 ( -8.326 -0.056 0.000) 8.326 4.113 ( 9.480 -0.056 0.000) 9.481 4.262 ( 10.881 0.037 0.000) 10.881 4.499 ( 0.952 -0.092 0.000) 0.957 6.395 ( -1.335 0.046 0.000) 1.336 6.445 ( -1.438 -0.213 0.000) 1.454 6.452 ( 0.988 0.189 0.000) 1.006 6.563 ( -2.178 0.041 0.000) 2.178 6.671 ( -3.496 0.087 0.000) 3.498 6.832 ( 3.139 0.012 0.000) 3.139 6.856 ( 0.692 -0.024 0.000) 0.692 7.005 ( -3.813 -0.395 0.000) 3.833 7.152 ( -3.562 -0.009 0.000) 3.562 7.168 ( 2.977 0.042 0.000) 2.978 7.406 ( 5.684 0.187 0.000) 5.687 8.052 ( 1.786 -0.035 0.000) 1.786 8.076 ( 1.440 -0.077 0.000) 1.442 8.130 ( -0.187 -0.086 0.000) 0.206 8.284 ( -0.217 0.279 0.000) 0.353 8.411 ( -2.746 -0.110 0.000) 2.749 8.440 ( -5.028 0.569 0.000) 5.060 9.584 ( -1.057 0.016 0.000) 1.058 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 1.751 -0.005 0.000) 1.751 1.363 ( -1.854 -0.084 0.000) 1.856 1.747 ( -7.887 3.705 0.000) 8.714 1.881 ( -0.696 0.119 0.000) 0.706 1.889 ( 0.677 -0.274 0.000) 0.730 2.136 ( 0.441 0.081 0.000) 0.448 2.144 ( 0.072 -2.316 0.000) 2.317 2.214 ( 5.621 0.180 0.000) 5.624 2.714 ( 1.397 -0.118 0.000) 1.402 2.727 ( 2.124 -0.234 0.000) 2.137 2.775 ( 7.765 -0.112 0.000) 7.766 3.200 ( 0.520 -0.013 0.000) 0.520 3.287 ( 1.206 -0.028 0.000) 1.206 3.305 ( 2.622 -0.065 0.000) 2.623 3.398 ( -5.154 -0.034 0.000) 5.154 4.235 ( 3.065 0.046 0.000) 3.065 4.402 ( 3.584 0.029 0.000) 3.584 4.515 ( 0.526 -0.092 0.000) 0.534 6.375 ( -0.623 0.025 0.000) 0.624 6.428 ( -0.223 -0.206 0.000) 0.303 6.450 ( -0.720 0.223 0.000) 0.754 6.544 ( -0.155 -0.067 0.000) 0.169 6.622 ( -1.497 0.132 0.000) 1.503 6.869 ( 0.490 0.034 0.000) 0.492 6.883 ( 1.655 -0.006 0.000) 1.655 6.963 ( -0.640 -0.295 0.000) 0.705 7.102 ( -1.392 -0.045 0.000) 1.393 7.200 ( 0.614 0.034 0.000) 0.615 7.480 ( 1.813 0.125 0.000) 1.817 8.086 ( 1.524 -0.086 0.000) 1.527 8.101 ( 0.891 -0.055 0.000) 0.893 8.153 ( 1.962 -0.222 0.000) 1.974 8.273 ( -0.674 0.220 0.000) 0.709 8.332 ( -5.144 0.568 0.000) 5.176 8.374 ( -0.963 -0.094 0.000) 0.968 9.569 ( -0.416 0.010 0.000) 0.416 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -1.455 0.070 0.000) 1.457 1.368 ( 2.103 0.062 0.000) 2.104 1.594 ( -6.692 -1.513 0.000) 6.861 1.863 ( -1.185 -0.515 0.000) 1.292 1.880 ( -1.521 -0.380 0.000) 1.568 2.124 ( -2.952 -1.480 0.000) 3.302 2.130 ( -0.929 -0.117 0.000) 0.936 2.311 ( 4.611 1.993 0.000) 5.023 2.728 ( -0.104 0.401 0.000) 0.414 2.743 ( -0.536 0.250 0.000) 0.591 2.784 ( -7.009 0.159 0.000) 7.010 3.200 ( -0.438 0.017 0.000) 0.438 3.289 ( -0.996 0.039 0.000) 0.997 3.309 ( -2.188 0.048 0.000) 2.189 3.401 ( 5.456 0.050 0.000) 5.456 4.234 ( -2.948 0.058 0.000) 2.948 4.400 ( -3.802 -0.044 0.000) 3.803 4.519 ( -0.113 0.030 0.000) 0.117 6.373 ( 0.397 -0.043 0.000) 0.399 6.433 ( -0.804 -0.308 0.000) 0.861 6.442 ( 1.605 0.253 0.000) 1.625 6.549 ( 0.553 0.091 0.000) 0.561 6.614 ( 0.810 -0.106 0.000) 0.817 6.870 ( -0.275 0.091 0.000) 0.290 6.882 ( -1.732 -0.027 0.000) 1.732 6.983 ( 2.576 0.351 0.000) 2.600 7.104 ( 1.515 -0.010 0.000) 1.515 7.198 ( -0.869 -0.052 0.000) 0.871 7.469 ( -2.974 -0.242 0.000) 2.984 8.103 ( 0.068 0.691 0.000) 0.694 8.105 ( -0.459 0.074 0.000) 0.465 8.153 ( -2.618 -0.540 0.000) 2.674 8.259 ( -0.757 -0.236 0.000) 0.793 8.297 ( 2.292 -0.463 0.000) 2.339 8.379 ( 1.425 0.057 0.000) 1.427 9.569 ( 0.345 -0.011 0.000) 0.345 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -1.134 0.148 0.000) 1.143 1.400 ( 0.952 -0.055 0.000) 0.954 1.487 ( -7.502 -6.199 0.000) 9.732 1.842 ( -1.065 -1.466 0.000) 1.812 1.860 ( -0.712 -0.966 0.000) 1.200 2.051 ( -5.216 -0.855 0.000) 5.286 2.100 ( -2.699 -0.075 0.000) 2.700 2.351 ( 0.456 3.690 0.000) 3.718 2.570 ( -13.067 0.385 0.000) 13.072 2.686 ( -3.850 1.146 0.000) 4.017 2.730 ( -0.131 0.209 0.000) 0.247 3.181 ( -1.615 0.030 0.000) 1.616 3.219 ( -6.966 0.432 0.000) 6.979 3.250 ( -2.993 0.131 0.000) 2.996 3.548 ( 8.532 0.199 0.000) 8.534 4.122 ( -8.717 0.216 0.000) 8.720 4.257 ( -10.985 -0.130 0.000) 10.986 4.512 ( -0.517 0.292 0.000) 0.594 6.389 ( 1.090 -0.147 0.000) 1.100 6.424 ( -0.633 -0.713 0.000) 0.954 6.475 ( 1.747 0.783 0.000) 1.914 6.564 ( 1.320 0.144 0.000) 1.328 6.659 ( 3.814 -0.283 0.000) 3.824 6.829 ( -3.311 -0.096 0.000) 3.313 6.863 ( -0.221 0.256 0.000) 0.338 7.052 ( 4.826 1.015 0.000) 4.932 7.153 ( 3.307 0.047 0.000) 3.307 7.162 ( -3.089 -0.152 0.000) 3.093 7.376 ( -6.525 -0.856 0.000) 6.581 8.068 ( -2.162 0.882 0.000) 2.335 8.089 ( -0.919 0.382 0.000) 0.995 8.135 ( 0.599 -0.201 0.000) 0.632 8.246 ( -0.857 -0.949 0.000) 1.279 8.359 ( 2.348 -2.096 0.000) 3.147 8.423 ( 3.034 0.240 0.000) 3.044 9.582 ( 0.972 -0.051 0.000) 0.973 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -1.352 0.670 0.000) 1.509 1.335 ( -11.454 -4.971 0.000) 12.486 1.400 ( -1.318 -1.409 0.000) 1.929 1.845 ( -0.818 -4.204 0.000) 4.283 1.860 ( 0.029 -1.423 0.000) 1.423 1.935 ( -6.770 -0.361 0.000) 6.779 1.983 ( -10.850 0.409 0.000) 10.858 2.283 ( -5.149 4.126 0.000) 6.599 2.354 ( -7.211 0.565 0.000) 7.233 2.583 ( -6.033 0.815 0.000) 6.088 2.736 ( 0.564 0.124 0.000) 0.577 3.032 ( -12.015 1.329 0.000) 12.088 3.132 ( -3.847 -0.064 0.000) 3.847 3.178 ( -4.288 0.277 0.000) 4.297 3.703 ( 7.434 0.260 0.000) 7.439 3.900 ( -13.687 0.663 0.000) 13.703 3.989 ( -16.274 -0.177 0.000) 16.275 4.500 ( -0.373 0.578 0.000) 0.688 6.394 ( -2.620 -0.298 0.000) 2.636 6.416 ( 1.002 -0.289 0.000) 1.043 6.493 ( 0.356 0.803 0.000) 0.878 6.609 ( 3.324 -0.288 0.000) 3.337 6.756 ( 5.623 0.065 0.000) 5.624 6.774 ( -2.009 -0.204 0.000) 2.020 6.860 ( -0.259 0.199 0.000) 0.326 7.074 ( -6.184 -0.200 0.000) 6.187 7.149 ( 5.096 1.969 0.000) 5.463 7.216 ( 2.692 -0.576 0.000) 2.753 7.254 ( -5.170 -1.089 0.000) 5.284 8.034 ( -1.197 0.479 0.000) 1.289 8.073 ( -0.217 0.805 0.000) 0.834 8.169 ( 2.995 0.421 0.000) 3.025 8.234 ( -1.116 -1.627 0.000) 1.973 8.395 ( -0.215 -4.411 0.000) 4.416 8.488 ( 3.734 0.416 0.000) 3.757 9.606 ( 1.466 -0.109 0.000) 1.470 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -13.057 0.591 0.000) 13.071 1.220 ( -5.284 3.298 0.000) 6.228 1.375 ( -2.220 -4.332 0.000) 4.868 1.705 ( -15.499 -1.180 0.000) 15.544 1.766 ( -8.158 -0.500 0.000) 8.173 1.853 ( -2.655 -0.049 0.000) 2.655 1.866 ( -1.628 -1.818 0.000) 2.440 2.135 ( -8.618 -1.071 0.000) 8.684 2.286 ( -0.535 1.923 0.000) 1.996 2.453 ( -7.375 -0.552 0.000) 7.396 2.722 ( -5.603 0.923 0.000) 5.679 2.774 ( -8.952 1.393 0.000) 9.059 3.008 ( -10.170 -0.324 0.000) 10.176 3.090 ( -4.373 0.431 0.000) 4.395 3.612 ( -14.994 0.804 0.000) 15.016 3.677 ( -14.560 -0.188 0.000) 14.561 3.828 ( 5.690 0.161 0.000) 5.692 4.496 ( 0.435 0.778 0.000) 0.891 6.313 ( -5.578 0.094 0.000) 5.579 6.441 ( 1.393 -0.303 0.000) 1.426 6.480 ( -1.284 0.601 0.000) 1.417 6.675 ( 2.220 -0.359 0.000) 2.249 6.748 ( -0.504 -0.258 0.000) 0.566 6.826 ( -3.797 -0.944 0.000) 3.913 6.869 ( 5.443 0.427 0.000) 5.460 6.928 ( -8.777 -0.167 0.000) 8.779 7.151 ( -0.901 0.731 0.000) 1.160 7.242 ( 1.563 1.749 0.000) 2.346 7.304 ( 5.489 -1.047 0.000) 5.588 7.999 ( -3.745 -2.576 0.000) 4.545 8.075 ( 0.890 1.147 0.000) 1.452 8.221 ( -1.220 -1.960 0.000) 2.309 8.243 ( 4.786 0.762 0.000) 4.847 8.418 ( 0.861 -5.588 0.000) 5.654 8.559 ( 3.774 0.623 0.000) 3.825 9.639 ( 1.950 -0.166 0.000) 1.957 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -11.024 8.731 0.000) 14.062 0.989 ( -15.900 6.971 0.000) 17.361 1.361 ( -2.947 -7.126 0.000) 7.711 1.502 ( -5.339 -3.782 0.000) 6.543 1.605 ( -9.259 2.676 0.000) 9.638 1.647 ( -16.277 9.339 0.000) 18.766 1.836 ( -2.354 -0.281 0.000) 2.370 1.973 ( -11.723 -10.083 0.000) 15.462 2.279 ( 0.770 3.447 0.000) 3.532 2.336 ( -2.745 -2.497 0.000) 3.711 2.558 ( -3.914 1.191 0.000) 4.091 2.721 ( -2.255 -0.860 0.000) 2.414 2.725 ( -18.456 -0.520 0.000) 18.464 3.015 ( -2.900 0.454 0.000) 2.935 3.343 ( -12.132 0.523 0.000) 12.143 3.481 ( -5.911 -0.310 0.000) 5.919 3.920 ( 3.896 -0.016 0.000) 3.896 4.510 ( 1.395 0.809 0.000) 1.613 6.191 ( -6.588 0.295 0.000) 6.594 6.441 ( -2.267 0.335 0.000) 2.292 6.471 ( 1.342 -0.098 0.000) 1.346 6.640 ( -6.130 -1.978 0.000) 6.441 6.742 ( -9.154 -0.265 0.000) 9.158 6.752 ( -0.055 -0.040 0.000) 0.068 6.773 ( -1.619 -0.297 0.000) 1.646 6.962 ( 3.985 0.528 0.000) 4.019 7.148 ( 0.215 0.746 0.000) 0.776 7.260 ( 1.722 2.042 0.000) 2.672 7.409 ( 4.249 -1.558 0.000) 4.525 7.884 ( -12.921 -12.072 0.000) 17.683 8.092 ( 1.345 1.077 0.000) 1.723 8.210 ( -0.846 -1.668 0.000) 1.870 8.330 ( 4.204 0.212 0.000) 4.210 8.512 ( 6.897 -1.725 0.000) 7.109 8.622 ( 3.115 0.857 0.000) 3.231 9.680 ( 2.110 -0.196 0.000) 2.119 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -18.400 9.143 0.000) 20.547 0.605 ( -7.152 16.902 0.000) 18.353 1.088 ( -27.694 17.952 0.000) 33.003 1.331 ( -3.011 -6.533 0.000) 7.193 1.487 ( -4.819 0.762 0.000) 4.879 1.511 ( 1.780 -5.743 0.000) 6.012 1.789 ( -2.000 0.571 0.000) 2.080 1.812 ( -8.361 -6.149 0.000) 10.379 2.271 ( 0.237 4.156 0.000) 4.163 2.380 ( -15.248 -0.125 0.000) 15.249 2.402 ( 5.635 -4.772 0.000) 7.384 2.563 ( 6.110 1.600 0.000) 6.316 2.680 ( -1.937 -0.809 0.000) 2.099 2.978 ( -0.934 0.124 0.000) 0.942 3.153 ( -7.144 0.132 0.000) 7.145 3.421 ( -1.403 -0.525 0.000) 1.498 3.978 ( 2.019 -0.145 0.000) 2.024 4.535 ( 1.401 0.702 0.000) 1.567 6.075 ( -4.765 0.244 0.000) 4.771 6.399 ( -1.758 0.062 0.000) 1.759 6.455 ( -5.291 -1.469 0.000) 5.491 6.561 ( -1.019 -2.673 0.000) 2.861 6.579 ( -6.603 0.071 0.000) 6.603 6.727 ( -2.882 0.471 0.000) 2.920 6.763 ( 0.521 -0.209 0.000) 0.561 7.017 ( 1.973 0.476 0.000) 2.030 7.143 ( -2.497 -2.463 0.000) 3.508 7.257 ( -5.185 -1.174 0.000) 5.316 7.443 ( -7.811 -7.622 0.000) 10.913 7.608 ( -17.850 -13.935 0.000) 22.645 8.110 ( 0.824 0.466 0.000) 0.947 8.206 ( -0.266 -0.809 0.000) 0.852 8.396 ( 2.595 0.217 0.000) 2.604 8.665 ( 1.762 1.013 0.000) 2.033 8.681 ( 10.004 1.610 0.000) 10.132 9.717 ( 1.436 -0.193 0.000) 1.449 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( -0.000 14.104 0.000) 14.104 0.408 ( -0.000 19.280 0.000) 19.280 0.619 ( -0.000 29.506 0.000) 29.506 1.331 ( 0.000 -5.156 0.000) 5.156 1.434 ( -0.000 0.890 0.000) 0.890 1.572 ( 0.000 -6.617 0.000) 6.617 1.742 ( 0.000 -4.262 0.000) 4.262 1.767 ( -0.000 0.857 0.000) 0.857 2.206 ( 0.000 -0.049 0.000) 0.049 2.260 ( -0.000 4.627 0.000) 4.627 2.483 ( 0.000 -4.611 0.000) 4.611 2.649 ( 0.000 -0.420 0.000) 0.420 2.857 ( 0.000 -5.598 0.000) 5.598 2.979 ( 0.000 -1.259 0.000) 1.259 3.069 ( -0.000 0.094 0.000) 0.094 3.413 ( 0.000 -0.561 0.000) 0.561 3.998 ( 0.000 -0.168 0.000) 0.168 4.547 ( -0.000 0.582 0.000) 0.582 6.023 ( -0.000 0.041 0.000) 0.041 6.232 ( -0.000 0.066 0.000) 0.066 6.381 ( 0.000 -0.051 0.000) 0.051 6.511 ( -0.000 0.130 0.000) 0.130 6.595 ( -0.000 0.158 0.000) 0.158 6.691 ( -0.000 0.044 0.000) 0.044 6.735 ( -0.000 0.038 0.000) 0.038 6.770 ( 0.000 -0.191 0.000) 0.191 7.033 ( -0.000 0.408 0.000) 0.408 7.186 ( 0.000 -1.819 0.000) 1.819 7.344 ( -0.000 1.888 0.000) 1.888 7.552 ( 0.000 -1.327 0.000) 1.327 8.117 ( -0.000 0.107 0.000) 0.107 8.206 ( 0.000 -0.335 0.000) 0.335 8.421 ( -0.000 0.360 0.000) 0.360 8.677 ( -0.000 0.970 0.000) 0.970 8.816 ( 0.000 -0.888 0.000) 0.888 9.733 ( 0.000 -0.170 0.000) 0.170 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 1.803 -0.000 0.000) 1.803 1.363 ( -1.868 0.000 0.000) 1.868 1.767 ( -9.548 0.000 0.000) 9.548 1.881 ( -0.911 0.000 0.000) 0.911 1.887 ( 0.856 -0.000 0.000) 0.856 2.130 ( 0.567 -0.000 0.000) 0.567 2.137 ( 0.408 -0.000 0.000) 0.408 2.216 ( 6.156 -0.000 0.000) 6.156 2.713 ( 1.375 -0.000 0.000) 1.375 2.726 ( 2.366 -0.000 0.000) 2.366 2.775 ( 7.818 -0.000 0.000) 7.818 3.199 ( 0.526 -0.000 0.000) 0.526 3.287 ( 1.214 -0.000 0.000) 1.214 3.305 ( 2.655 -0.000 0.000) 2.655 3.398 ( -5.133 0.000 0.000) 5.133 4.235 ( 3.082 -0.000 0.000) 3.082 4.402 ( 3.568 -0.000 0.000) 3.568 4.514 ( 0.547 -0.000 0.000) 0.547 6.375 ( -0.639 0.000 0.000) 0.639 6.427 ( -0.135 0.000 0.000) 0.135 6.451 ( -0.828 0.000 0.000) 0.828 6.543 ( -0.139 0.000 0.000) 0.139 6.623 ( -1.537 0.000 0.000) 1.537 6.869 ( 0.483 -0.000 0.000) 0.483 6.883 ( 1.651 -0.000 0.000) 1.651 6.961 ( -0.461 0.000 0.000) 0.461 7.102 ( -1.395 0.000 0.000) 1.395 7.201 ( 0.596 -0.000 0.000) 0.596 7.481 ( 1.737 -0.000 0.000) 1.737 8.086 ( 1.588 -0.000 0.000) 1.588 8.101 ( 0.915 -0.000 0.000) 0.915 8.151 ( 1.906 -0.000 0.000) 1.906 8.274 ( -0.771 0.000 0.000) 0.771 8.335 ( -5.289 0.000 0.000) 5.289 8.374 ( -0.927 0.000 0.000) 0.927 9.569 ( -0.421 0.000 0.000) 0.421 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -1.472 0.028 0.000) 1.472 1.368 ( 2.195 0.020 0.000) 2.195 1.584 ( -8.707 -0.439 0.000) 8.718 1.859 ( -1.399 -0.223 0.000) 1.416 1.877 ( -1.533 -0.141 0.000) 1.540 2.113 ( -2.477 -0.554 0.000) 2.538 2.129 ( -0.998 -0.042 0.000) 0.999 2.325 ( 4.972 0.682 0.000) 5.019 2.731 ( 0.269 0.160 0.000) 0.313 2.744 ( -0.562 0.081 0.000) 0.568 2.785 ( -6.906 0.058 0.000) 6.906 3.201 ( -0.427 0.006 0.000) 0.427 3.289 ( -0.957 0.014 0.000) 0.957 3.309 ( -2.133 0.015 0.000) 2.133 3.401 ( 5.497 0.018 0.000) 5.497 4.235 ( -2.951 0.027 0.000) 2.951 4.399 ( -3.832 -0.016 0.000) 3.832 4.519 ( -0.041 0.006 0.000) 0.041 6.373 ( 0.368 -0.015 0.000) 0.369 6.431 ( -1.005 -0.110 0.000) 1.011 6.444 ( 1.812 0.089 0.000) 1.815 6.549 ( 0.624 0.032 0.000) 0.624 6.614 ( 0.699 -0.034 0.000) 0.700 6.871 ( -0.220 0.038 0.000) 0.223 6.882 ( -1.743 -0.011 0.000) 1.743 6.985 ( 2.769 0.124 0.000) 2.772 7.104 ( 1.556 -0.007 0.000) 1.556 7.197 ( -0.905 -0.019 0.000) 0.905 7.467 ( -3.140 -0.090 0.000) 3.141 8.106 ( -0.386 0.026 0.000) 0.387 8.109 ( 0.814 0.371 0.000) 0.895 8.148 ( -3.113 -0.343 0.000) 3.131 8.257 ( -0.964 -0.082 0.000) 0.967 8.294 ( 1.783 -0.138 0.000) 1.788 8.380 ( 1.486 0.018 0.000) 1.486 9.569 ( 0.335 -0.004 0.000) 0.335 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -1.061 0.088 0.000) 1.065 1.399 ( 0.684 -0.035 0.000) 0.685 1.438 ( -7.982 -3.387 0.000) 8.671 1.830 ( -1.808 -0.818 0.000) 1.984 1.852 ( -0.897 -0.532 0.000) 1.043 2.044 ( -4.931 -0.475 0.000) 4.953 2.099 ( -2.514 -0.043 0.000) 2.514 2.380 ( 0.760 1.925 0.000) 2.069 2.574 ( -13.058 0.217 0.000) 13.060 2.697 ( -3.828 0.846 0.000) 3.921 2.730 ( -0.214 -0.114 0.000) 0.243 3.181 ( -1.628 0.017 0.000) 1.628 3.223 ( -6.755 0.250 0.000) 6.760 3.251 ( -2.938 0.067 0.000) 2.938 3.549 ( 8.575 0.113 0.000) 8.576 4.123 ( -8.584 0.124 0.000) 8.585 4.256 ( -11.006 -0.074 0.000) 11.006 4.514 ( -0.412 0.162 0.000) 0.443 6.387 ( 1.074 -0.069 0.000) 1.077 6.418 ( -0.609 -0.410 0.000) 0.734 6.482 ( 1.815 0.449 0.000) 1.870 6.566 ( 1.236 0.100 0.000) 1.240 6.657 ( 3.881 -0.158 0.000) 3.884 6.828 ( -3.353 -0.061 0.000) 3.353 6.865 ( -0.183 0.157 0.000) 0.241 7.060 ( 5.057 0.541 0.000) 5.086 7.154 ( 3.265 0.029 0.000) 3.265 7.161 ( -3.113 -0.087 0.000) 3.114 7.369 ( -6.769 -0.507 0.000) 6.788 8.077 ( -2.454 0.756 0.000) 2.568 8.092 ( -0.758 0.238 0.000) 0.794 8.132 ( 1.091 -0.343 0.000) 1.143 8.239 ( -1.125 -0.549 0.000) 1.252 8.342 ( 1.626 -1.197 0.000) 2.019 8.425 ( 3.086 0.126 0.000) 3.089 9.581 ( 0.954 -0.028 0.000) 0.954 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -0.853 0.492 0.000) 0.984 1.292 ( -9.161 -3.340 0.000) 9.751 1.387 ( -2.232 -1.004 0.000) 2.447 1.806 ( -1.743 -3.186 0.000) 3.632 1.848 ( -0.075 -0.930 0.000) 0.933 1.932 ( -6.650 -0.245 0.000) 6.654 1.986 ( -10.926 0.285 0.000) 10.930 2.319 ( -5.680 2.852 0.000) 6.356 2.359 ( -6.921 0.391 0.000) 6.932 2.591 ( -6.444 0.776 0.000) 6.490 2.736 ( 0.460 -0.155 0.000) 0.486 3.044 ( -11.555 0.912 0.000) 11.591 3.131 ( -3.927 -0.046 0.000) 3.927 3.180 ( -4.236 0.186 0.000) 4.240 3.705 ( 7.413 0.185 0.000) 7.416 3.906 ( -13.526 0.469 0.000) 13.535 3.988 ( -16.277 -0.126 0.000) 16.278 4.505 ( -0.277 0.409 0.000) 0.494 6.392 ( -2.474 -0.136 0.000) 2.478 6.413 ( 1.117 -0.255 0.000) 1.146 6.500 ( 0.253 0.576 0.000) 0.629 6.607 ( 3.234 -0.095 0.000) 3.236 6.757 ( 5.879 0.082 0.000) 5.880 6.772 ( -2.091 -0.184 0.000) 2.099 6.861 ( -0.579 0.058 0.000) 0.582 7.073 ( -6.182 -0.144 0.000) 6.184 7.167 ( 5.768 1.574 0.000) 5.979 7.211 ( 1.957 -0.292 0.000) 1.979 7.242 ( -4.902 -1.153 0.000) 5.036 8.039 ( -1.594 0.512 0.000) 1.674 8.081 ( 0.017 0.690 0.000) 0.690 8.173 ( 3.401 0.491 0.000) 3.437 8.219 ( -1.365 -1.251 0.000) 1.852 8.354 ( -1.382 -3.451 0.000) 3.717 8.491 ( 3.792 0.273 0.000) 3.802 9.605 ( 1.441 -0.077 0.000) 1.443 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -8.606 2.159 0.000) 8.873 1.252 ( -3.018 2.892 0.000) 4.180 1.335 ( -3.692 -3.426 0.000) 5.037 1.693 ( -17.310 -1.240 0.000) 17.354 1.756 ( -6.738 -1.722 0.000) 6.955 1.833 ( -2.660 -3.560 0.000) 4.444 1.848 ( -0.708 -0.837 0.000) 1.096 2.144 ( -11.114 2.269 0.000) 11.344 2.304 ( 0.180 1.488 0.000) 1.499 2.448 ( -8.329 -0.501 0.000) 8.344 2.729 ( -2.762 0.392 0.000) 2.790 2.787 ( -11.942 1.162 0.000) 11.999 3.005 ( -10.318 -0.270 0.000) 10.322 3.094 ( -4.340 0.313 0.000) 4.351 3.620 ( -15.065 0.681 0.000) 15.080 3.675 ( -14.570 -0.155 0.000) 14.570 3.830 ( 5.608 0.134 0.000) 5.609 4.503 ( 0.481 0.638 0.000) 0.799 6.314 ( -5.417 0.127 0.000) 5.419 6.438 ( 1.400 -0.243 0.000) 1.421 6.486 ( -1.407 0.507 0.000) 1.495 6.674 ( 2.671 0.298 0.000) 2.687 6.746 ( -0.523 -0.233 0.000) 0.572 6.812 ( -4.980 -1.523 0.000) 5.208 6.873 ( 5.589 0.385 0.000) 5.602 6.927 ( -8.764 -0.162 0.000) 8.765 7.161 ( -0.108 1.189 0.000) 1.194 7.250 ( 0.983 -0.333 0.000) 1.038 7.300 ( 6.101 0.530 0.000) 6.124 7.972 ( -7.179 -2.505 0.000) 7.603 8.087 ( 1.091 1.251 0.000) 1.660 8.201 ( -1.330 -1.893 0.000) 2.313 8.253 ( 4.687 1.148 0.000) 4.826 8.364 ( 1.989 -4.777 0.000) 5.175 8.564 ( 3.869 0.483 0.000) 3.899 9.638 ( 1.929 -0.137 0.000) 1.934 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -5.306 11.452 0.000) 12.621 1.065 ( -14.438 7.685 0.000) 16.356 1.292 ( -3.820 -6.107 0.000) 7.203 1.456 ( -6.427 -5.158 0.000) 8.241 1.615 ( -7.195 0.373 0.000) 7.205 1.755 ( -11.780 9.403 0.000) 15.072 1.828 ( -2.496 -2.531 0.000) 3.555 1.871 ( -13.496 -7.542 0.000) 15.460 2.304 ( -5.115 -3.506 0.000) 6.201 2.312 ( 1.311 2.885 0.000) 3.169 2.570 ( -5.146 1.005 0.000) 5.243 2.711 ( -2.466 -0.923 0.000) 2.633 2.720 ( -18.489 -0.506 0.000) 18.495 3.019 ( -3.013 0.320 0.000) 3.030 3.348 ( -12.315 0.504 0.000) 12.325 3.478 ( -6.030 -0.290 0.000) 6.037 3.920 ( 3.806 -0.015 0.000) 3.806 4.518 ( 1.375 0.751 0.000) 1.567 6.194 ( -6.538 0.312 0.000) 6.545 6.445 ( -2.415 0.322 0.000) 2.436 6.469 ( 1.603 -0.125 0.000) 1.608 6.623 ( -7.575 -1.202 0.000) 7.670 6.738 ( -6.930 -0.437 0.000) 6.944 6.753 ( -2.193 0.163 0.000) 2.199 6.765 ( -0.739 -1.137 0.000) 1.356 6.967 ( 3.985 0.474 0.000) 4.013 7.161 ( -0.290 1.728 0.000) 1.752 7.276 ( 2.137 0.907 0.000) 2.321 7.397 ( 3.435 -0.589 0.000) 3.485 7.764 ( -17.951 -11.091 0.000) 21.101 8.104 ( 1.171 1.323 0.000) 1.767 8.191 ( -0.532 -1.846 0.000) 1.921 8.331 ( 3.931 -0.023 0.000) 3.931 8.498 ( 9.214 -1.053 0.000) 9.274 8.631 ( 3.238 0.774 0.000) 3.329 9.678 ( 2.101 -0.183 0.000) 2.109 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -16.597 9.595 0.000) 19.171 0.787 ( -4.718 18.263 0.000) 18.862 1.257 ( -2.905 -7.528 0.000) 8.069 1.275 ( -22.332 17.909 0.000) 28.627 1.451 ( 0.994 -5.725 0.000) 5.811 1.496 ( -4.547 0.833 0.000) 4.623 1.738 ( -7.359 -7.948 0.000) 10.832 1.797 ( -1.526 0.799 0.000) 1.723 2.312 ( -0.498 3.631 0.000) 3.665 2.342 ( 4.542 -6.709 0.000) 8.102 2.378 ( -14.070 -0.092 0.000) 14.070 2.567 ( 5.622 -0.953 0.000) 5.702 2.670 ( -1.978 -1.083 0.000) 2.255 2.979 ( -1.178 0.041 0.000) 1.179 3.155 ( -7.428 0.099 0.000) 7.429 3.415 ( -1.517 -0.554 0.000) 1.615 3.976 ( 1.967 -0.155 0.000) 1.973 4.543 ( 1.359 0.734 0.000) 1.545 6.077 ( -4.879 0.234 0.000) 4.884 6.400 ( -1.879 0.068 0.000) 1.880 6.435 ( -8.837 -2.246 0.000) 9.118 6.539 ( 1.174 -1.578 0.000) 1.967 6.580 ( -6.524 0.069 0.000) 6.525 6.730 ( -2.957 0.118 0.000) 2.959 6.761 ( 0.525 -0.189 0.000) 0.558 7.022 ( 1.946 0.475 0.000) 2.004 7.117 ( -9.947 -2.682 0.000) 10.302 7.224 ( -14.101 -4.586 0.000) 14.828 7.376 ( -4.255 -3.848 0.000) 5.737 7.529 ( -2.934 -4.127 0.000) 5.063 8.115 ( 0.391 0.425 0.000) 0.578 8.197 ( 0.262 -0.768 0.000) 0.812 8.399 ( 2.780 0.207 0.000) 2.788 8.676 ( 1.850 1.052 0.000) 2.128 8.690 ( 9.608 0.312 0.000) 9.613 9.715 ( 1.436 -0.203 0.000) 1.450 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -0.000 12.826 0.000) 12.826 0.600 ( -0.000 18.097 0.000) 18.097 0.915 ( -0.000 28.094 0.000) 28.094 1.266 ( 0.000 -7.165 0.000) 7.165 1.445 ( -0.000 1.076 0.000) 1.076 1.503 ( 0.000 -6.642 0.000) 6.642 1.689 ( 0.000 -6.116 0.000) 6.116 1.777 ( -0.000 1.145 0.000) 1.145 2.206 ( 0.000 -0.059 0.000) 0.059 2.307 ( -0.000 4.479 0.000) 4.479 2.427 ( 0.000 -6.207 0.000) 6.207 2.644 ( 0.000 -0.513 0.000) 0.513 2.781 ( 0.000 -8.994 0.000) 8.994 2.970 ( 0.000 -0.488 0.000) 0.488 3.070 ( -0.000 0.111 0.000) 0.111 3.406 ( 0.000 -0.673 0.000) 0.673 3.996 ( 0.000 -0.203 0.000) 0.203 4.554 ( -0.000 0.693 0.000) 0.693 6.024 ( -0.000 0.050 0.000) 0.050 6.233 ( -0.000 0.080 0.000) 0.080 6.380 ( 0.000 -0.059 0.000) 0.059 6.513 ( -0.000 0.155 0.000) 0.155 6.597 ( -0.000 0.169 0.000) 0.169 6.691 ( -0.000 0.054 0.000) 0.054 6.735 ( -0.000 0.046 0.000) 0.046 6.768 ( 0.000 -0.200 0.000) 0.200 7.038 ( -0.000 0.461 0.000) 0.461 7.169 ( 0.000 -1.411 0.000) 1.411 7.362 ( -0.000 1.615 0.000) 1.615 7.537 ( 0.000 -1.701 0.000) 1.701 8.118 ( 0.000 -0.023 0.000) 0.023 8.203 ( 0.000 -0.238 0.000) 0.238 8.425 ( -0.000 0.440 0.000) 0.440 8.689 ( -0.000 1.152 0.000) 1.152 8.806 ( 0.000 -1.064 0.000) 1.064 9.731 ( 0.000 -0.204 0.000) 0.204 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -1.033 0.000 0.000) 1.033 1.399 ( 0.584 -0.000 0.000) 0.584 1.420 ( -8.196 0.000 0.000) 8.196 1.825 ( -2.053 0.000 0.000) 2.053 1.849 ( -0.961 0.000 0.000) 0.961 2.041 ( -4.826 0.000 0.000) 4.826 2.099 ( -2.446 0.000 0.000) 2.446 2.390 ( 0.876 -0.000 0.000) 0.876 2.575 ( -13.055 0.000 0.000) 13.055 2.701 ( -3.889 0.000 0.000) 3.889 2.729 ( -0.185 0.000 0.000) 0.185 3.182 ( -1.633 0.000 0.000) 1.633 3.224 ( -6.682 0.000 0.000) 6.682 3.252 ( -2.915 0.000 0.000) 2.915 3.550 ( 8.590 -0.000 0.000) 8.590 4.124 ( -8.537 0.000 0.000) 8.537 4.255 ( -11.014 0.000 0.000) 11.014 4.515 ( -0.373 0.000 0.000) 0.373 6.387 ( 1.078 -0.000 0.000) 1.078 6.416 ( -0.609 0.000 0.000) 0.609 6.484 ( 1.841 -0.000 0.000) 1.841 6.566 ( 1.212 -0.000 0.000) 1.212 6.656 ( 3.906 -0.000 0.000) 3.906 6.828 ( -3.368 0.000 0.000) 3.368 6.866 ( -0.173 0.000 0.000) 0.173 7.063 ( 5.142 -0.000 0.000) 5.142 7.154 ( 3.251 -0.000 0.000) 3.251 7.160 ( -3.121 0.000 0.000) 3.121 7.366 ( -6.865 0.000 0.000) 6.865 8.081 ( -2.685 0.000 0.000) 2.685 8.093 ( -0.692 0.000 0.000) 0.692 8.130 ( 1.420 -0.000 0.000) 1.420 8.236 ( -1.229 0.000 0.000) 1.229 8.336 ( 1.342 -0.000 0.000) 1.342 8.426 ( 3.104 -0.000 0.000) 3.104 9.581 ( 0.948 -0.000 0.000) 0.948 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -7.691 -1.173 0.000) 7.780 1.290 ( -0.578 0.184 0.000) 0.606 1.380 ( -2.728 -0.367 0.000) 2.752 1.783 ( -2.588 -1.174 0.000) 2.842 1.842 ( -0.096 -0.333 0.000) 0.346 1.930 ( -6.573 -0.088 0.000) 6.574 1.988 ( -10.978 0.102 0.000) 10.978 2.339 ( -5.830 1.016 0.000) 5.918 2.361 ( -6.763 0.139 0.000) 6.765 2.597 ( -6.702 0.328 0.000) 6.710 2.734 ( 0.454 -0.114 0.000) 0.468 3.050 ( -11.322 0.324 0.000) 11.327 3.131 ( -3.972 -0.017 0.000) 3.972 3.181 ( -4.209 0.065 0.000) 4.210 3.706 ( 7.401 0.067 0.000) 7.401 3.910 ( -13.433 0.169 0.000) 13.434 3.987 ( -16.279 -0.045 0.000) 16.279 4.508 ( -0.224 0.147 0.000) 0.268 6.392 ( -2.448 -0.028 0.000) 2.448 6.411 ( 1.249 -0.107 0.000) 1.254 6.504 ( 0.194 0.209 0.000) 0.285 6.607 ( 3.214 -0.013 0.000) 3.214 6.758 ( 6.162 0.042 0.000) 6.162 6.770 ( -2.275 -0.080 0.000) 2.276 6.862 ( -0.825 0.004 0.000) 0.825 7.072 ( -6.182 -0.053 0.000) 6.182 7.179 ( 6.712 0.617 0.000) 6.740 7.211 ( 2.002 0.112 0.000) 2.005 7.232 ( -5.746 -0.700 0.000) 5.788 8.044 ( -1.863 0.228 0.000) 1.876 8.086 ( 0.194 0.284 0.000) 0.344 8.178 ( 3.881 0.259 0.000) 3.889 8.210 ( -1.551 -0.483 0.000) 1.624 8.328 ( -2.247 -1.362 0.000) 2.628 8.493 ( 3.824 0.094 0.000) 3.826 9.604 ( 1.428 -0.028 0.000) 1.428 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -4.613 2.107 0.000) 5.072 1.277 ( -1.087 1.768 0.000) 2.075 1.307 ( -4.692 -1.933 0.000) 5.074 1.682 ( -18.942 -0.817 0.000) 18.959 1.730 ( -4.780 -2.825 0.000) 5.552 1.806 ( -5.715 -1.475 0.000) 5.902 1.841 ( -0.372 -0.520 0.000) 0.639 2.169 ( -10.899 2.024 0.000) 11.085 2.316 ( 0.637 0.803 0.000) 1.025 2.443 ( -9.298 -0.309 0.000) 9.303 2.731 ( -1.384 0.093 0.000) 1.387 2.797 ( -13.410 0.654 0.000) 13.426 3.003 ( -10.424 -0.153 0.000) 10.425 3.096 ( -4.332 0.159 0.000) 4.335 3.626 ( -15.110 0.391 0.000) 15.116 3.674 ( -14.576 -0.087 0.000) 14.576 3.831 ( 5.549 0.076 0.000) 5.550 4.508 ( 0.512 0.358 0.000) 0.625 6.315 ( -5.310 0.093 0.000) 5.311 6.436 ( 1.407 -0.133 0.000) 1.414 6.490 ( -1.494 0.291 0.000) 1.522 6.679 ( 3.541 0.505 0.000) 3.577 6.744 ( -0.539 -0.139 0.000) 0.557 6.797 ( -6.384 -1.248 0.000) 6.505 6.877 ( 5.768 0.233 0.000) 5.773 6.925 ( -8.829 -0.104 0.000) 8.830 7.174 ( 0.930 1.162 0.000) 1.488 7.240 ( 0.381 -1.196 0.000) 1.255 7.309 ( 6.422 0.899 0.000) 6.485 7.951 ( -9.947 -1.587 0.000) 10.073 8.099 ( 1.390 0.976 0.000) 1.698 8.183 ( -1.565 -1.326 0.000) 2.051 8.268 ( 4.045 1.697 0.000) 4.386 8.321 ( 3.635 -3.587 0.000) 5.107 8.568 ( 3.938 0.261 0.000) 3.946 9.637 ( 1.915 -0.077 0.000) 1.917 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.127 11.487 0.000) 11.488 1.141 ( -12.759 6.500 0.000) 14.319 1.244 ( -5.118 -2.734 0.000) 5.803 1.398 ( -7.278 -6.279 0.000) 9.612 1.616 ( -6.683 -0.104 0.000) 6.684 1.729 ( -7.425 -10.028 0.000) 12.477 1.827 ( -1.668 0.913 0.000) 1.902 1.883 ( -16.201 6.905 0.000) 17.611 2.267 ( -7.576 -3.637 0.000) 8.403 2.336 ( 1.697 1.883 0.000) 2.535 2.578 ( -6.457 0.597 0.000) 6.484 2.703 ( -2.479 -0.726 0.000) 2.583 2.715 ( -18.534 -0.369 0.000) 18.537 3.022 ( -3.113 0.171 0.000) 3.117 3.353 ( -12.483 0.363 0.000) 12.488 3.475 ( -6.127 -0.205 0.000) 6.131 3.920 ( 3.730 -0.011 0.000) 3.730 4.525 ( 1.359 0.526 0.000) 1.457 6.197 ( -6.509 0.244 0.000) 6.514 6.448 ( -2.541 0.233 0.000) 2.551 6.468 ( 1.794 -0.109 0.000) 1.798 6.615 ( -9.199 -0.528 0.000) 9.214 6.734 ( -5.829 -0.337 0.000) 5.838 6.753 ( 0.424 -1.216 0.000) 1.288 6.754 ( -3.219 0.148 0.000) 3.223 6.971 ( 3.986 0.323 0.000) 3.999 7.182 ( -0.817 2.227 0.000) 2.372 7.276 ( 3.326 -0.949 0.000) 3.459 7.400 ( 2.699 1.280 0.000) 2.987 7.663 ( -21.271 -8.377 0.000) 22.862 8.119 ( 0.908 1.517 0.000) 1.768 8.172 ( -0.159 -1.871 0.000) 1.878 8.330 ( 3.823 -0.089 0.000) 3.824 8.490 ( 10.528 -0.543 0.000) 10.542 8.638 ( 3.345 0.532 0.000) 3.387 9.677 ( 2.094 -0.129 0.000) 2.098 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -15.699 8.414 0.000) 17.812 0.974 ( -4.683 17.967 0.000) 18.567 1.184 ( -3.157 -6.486 0.000) 7.214 1.395 ( 0.884 -5.246 0.000) 5.320 1.435 ( -16.011 11.205 0.000) 19.542 1.505 ( -4.442 1.325 0.000) 4.635 1.659 ( -6.768 -5.847 0.000) 8.944 1.805 ( -1.047 0.795 0.000) 1.314 2.267 ( 3.382 -7.806 0.000) 8.507 2.344 ( -3.381 2.457 0.000) 4.179 2.378 ( -10.863 0.072 0.000) 10.863 2.547 ( 3.030 -2.531 0.000) 3.948 2.660 ( -2.080 -0.793 0.000) 2.226 2.979 ( -1.359 -0.014 0.000) 1.359 3.155 ( -7.674 0.063 0.000) 7.674 3.410 ( -1.624 -0.456 0.000) 1.686 3.975 ( 1.919 -0.129 0.000) 1.923 4.550 ( 1.320 0.600 0.000) 1.450 6.080 ( -5.026 0.175 0.000) 5.029 6.400 ( -1.994 0.057 0.000) 1.995 6.412 ( -10.924 -2.085 0.000) 11.122 6.528 ( 2.696 -0.673 0.000) 2.778 6.580 ( -6.443 0.052 0.000) 6.443 6.730 ( -2.793 -0.085 0.000) 2.795 6.759 ( 0.526 -0.134 0.000) 0.542 7.026 ( 1.920 0.373 0.000) 1.955 7.088 ( -20.743 -2.782 0.000) 20.929 7.185 ( -8.570 -2.629 0.000) 8.964 7.356 ( 1.880 -0.764 0.000) 2.029 7.499 ( 0.555 -2.167 0.000) 2.237 8.118 ( -0.165 0.276 0.000) 0.321 8.190 ( 0.899 -0.546 0.000) 1.052 8.401 ( 2.986 0.168 0.000) 2.991 8.686 ( 1.938 0.857 0.000) 2.119 8.691 ( 9.171 -0.114 0.000) 9.171 9.713 ( 1.435 -0.167 0.000) 1.445 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -0.000 10.759 0.000) 10.759 0.776 ( -0.000 16.165 0.000) 16.165 1.190 ( 0.000 -7.471 0.000) 7.471 1.192 ( -0.000 25.625 0.000) 25.625 1.439 ( 0.000 -5.781 0.000) 5.781 1.456 ( -0.000 1.012 0.000) 1.012 1.619 ( 0.000 -7.442 0.000) 7.442 1.789 ( -0.000 1.231 0.000) 1.231 2.205 ( 0.000 -0.055 0.000) 0.055 2.349 ( -0.000 3.519 0.000) 3.519 2.356 ( 0.000 -7.634 0.000) 7.634 2.639 ( 0.000 -0.489 0.000) 0.489 2.680 ( 0.000 -10.112 0.000) 10.112 2.967 ( 0.000 -0.218 0.000) 0.218 3.072 ( -0.000 0.103 0.000) 0.103 3.399 ( 0.000 -0.629 0.000) 0.629 3.994 ( 0.000 -0.192 0.000) 0.192 4.561 ( -0.000 0.644 0.000) 0.644 6.024 ( -0.000 0.047 0.000) 0.047 6.234 ( -0.000 0.075 0.000) 0.075 6.380 ( 0.000 -0.054 0.000) 0.054 6.514 ( -0.000 0.144 0.000) 0.144 6.598 ( -0.000 0.138 0.000) 0.138 6.692 ( -0.000 0.050 0.000) 0.050 6.736 ( -0.000 0.043 0.000) 0.043 6.766 ( 0.000 -0.161 0.000) 0.161 7.042 ( -0.000 0.405 0.000) 0.405 7.158 ( 0.000 -0.784 0.000) 0.784 7.376 ( -0.000 1.082 0.000) 1.082 7.519 ( 0.000 -1.689 0.000) 1.689 8.116 ( 0.000 -0.175 0.000) 0.175 8.201 ( 0.000 -0.059 0.000) 0.059 8.429 ( -0.000 0.420 0.000) 0.420 8.700 ( -0.000 1.071 0.000) 1.071 8.795 ( 0.000 -0.995 0.000) 0.995 9.729 ( 0.000 -0.190 0.000) 0.190 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -2.895 0.000 0.000) 2.895 1.287 ( 0.142 -0.000 0.000) 0.142 1.296 ( -5.485 0.000 0.000) 5.485 1.677 ( -19.626 0.000 0.000) 19.626 1.713 ( -4.576 0.000 0.000) 4.576 1.799 ( -6.749 0.000 0.000) 6.749 1.839 ( -0.263 0.000 0.000) 0.263 2.180 ( -10.563 0.000 0.000) 10.563 2.320 ( 0.793 -0.000 0.000) 0.793 2.442 ( -9.720 0.000 0.000) 9.720 2.731 ( -0.995 0.000 0.000) 0.995 2.800 ( -13.826 0.000 0.000) 13.826 3.002 ( -10.462 0.000 0.000) 10.462 3.097 ( -4.332 0.000 0.000) 4.332 3.628 ( -15.126 0.000 0.000) 15.126 3.673 ( -14.578 0.000 0.000) 14.578 3.831 ( 5.528 -0.000 0.000) 5.528 4.510 ( 0.523 -0.000 0.000) 0.523 6.316 ( -5.274 0.000 0.000) 5.274 6.436 ( 1.411 -0.000 0.000) 1.411 6.491 ( -1.526 0.000 0.000) 1.526 6.682 ( 4.111 -0.000 0.000) 4.111 6.743 ( -0.545 0.000 0.000) 0.545 6.790 ( -7.146 0.000 0.000) 7.146 6.878 ( 5.857 -0.000 0.000) 5.857 6.925 ( -8.876 0.000 0.000) 8.876 7.181 ( 1.642 -0.000 0.000) 1.642 7.232 ( -0.164 0.000 0.000) 0.164 7.315 ( 6.569 -0.000 0.000) 6.569 7.942 ( -11.016 0.000 0.000) 11.016 8.105 ( 1.604 -0.000 0.000) 1.604 8.176 ( -1.756 0.000 0.000) 1.756 8.285 ( -0.086 0.000 0.000) 0.086 8.294 ( 8.175 -0.000 0.000) 8.175 8.570 ( 3.963 -0.000 0.000) 3.963 9.636 ( 1.910 -0.000 0.000) 1.910 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 4.853 5.827 0.000) 7.584 1.175 ( -8.485 0.372 0.000) 8.493 1.260 ( -9.794 5.625 0.000) 11.294 1.329 ( -7.171 -6.903 0.000) 9.954 1.608 ( -6.411 -1.769 0.000) 6.651 1.650 ( -11.235 -3.698 0.000) 11.828 1.829 ( -0.728 0.002 0.000) 0.728 1.943 ( -13.073 3.499 0.000) 13.534 2.236 ( -9.697 -1.844 0.000) 9.871 2.350 ( 1.901 0.652 0.000) 2.009 2.582 ( -7.354 0.189 0.000) 7.356 2.697 ( -2.389 -0.277 0.000) 2.405 2.712 ( -18.568 -0.136 0.000) 18.569 3.023 ( -3.170 0.051 0.000) 3.171 3.356 ( -12.585 0.132 0.000) 12.585 3.474 ( -6.182 -0.074 0.000) 6.183 3.920 ( 3.688 -0.004 0.000) 3.688 4.528 ( 1.349 0.189 0.000) 1.362 6.199 ( -6.499 0.093 0.000) 6.499 6.449 ( -2.613 0.085 0.000) 2.615 6.467 ( 1.885 -0.044 0.000) 1.886 6.612 ( -10.386 -0.122 0.000) 10.386 6.732 ( -5.428 -0.123 0.000) 5.430 6.743 ( 1.358 -0.521 0.000) 1.454 6.755 ( -3.575 0.056 0.000) 3.575 6.973 ( 3.985 0.114 0.000) 3.987 7.202 ( -1.837 1.457 0.000) 2.345 7.263 ( 4.817 -1.170 0.000) 4.957 7.416 ( 3.731 1.262 0.000) 3.939 7.599 ( -24.220 -3.541 0.000) 24.478 8.135 ( 0.536 1.673 0.000) 1.757 8.153 ( 0.273 -1.798 0.000) 1.819 8.329 ( 3.807 -0.042 0.000) 3.807 8.486 ( 11.087 -0.166 0.000) 11.088 8.641 ( 3.407 0.189 0.000) 3.412 9.676 ( 2.090 -0.046 0.000) 2.091 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -15.626 5.256 0.000) 16.486 1.130 ( -3.574 -3.699 0.000) 5.144 1.152 ( -7.082 16.444 0.000) 17.904 1.348 ( 1.389 -3.556 0.000) 3.817 1.445 ( -5.571 -8.019 0.000) 9.764 1.513 ( -3.821 -0.189 0.000) 3.826 1.676 ( -10.242 7.529 0.000) 12.712 1.813 ( -0.680 0.634 0.000) 0.930 2.188 ( 1.844 -6.855 0.000) 7.099 2.361 ( -11.013 0.927 0.000) 11.052 2.381 ( -3.035 0.375 0.000) 3.058 2.522 ( 0.453 -2.008 0.000) 2.058 2.654 ( -2.005 -0.378 0.000) 2.041 2.978 ( -1.461 -0.024 0.000) 1.461 3.156 ( -7.824 0.031 0.000) 7.824 3.406 ( -1.699 -0.256 0.000) 1.718 3.974 ( 1.884 -0.073 0.000) 1.886 4.555 ( 1.293 0.335 0.000) 1.336 6.081 ( -5.151 0.091 0.000) 5.151 6.395 ( -11.549 -1.172 0.000) 11.609 6.401 ( -2.076 0.033 0.000) 2.077 6.524 ( 3.311 -0.233 0.000) 3.320 6.581 ( -6.381 0.027 0.000) 6.381 6.729 ( -2.581 -0.099 0.000) 2.583 6.758 ( 0.523 -0.067 0.000) 0.528 7.029 ( 1.900 0.203 0.000) 1.911 7.065 ( -25.856 -1.630 0.000) 25.907 7.169 ( -2.963 -0.759 0.000) 3.058 7.352 ( 3.379 -0.232 0.000) 3.387 7.482 ( 1.567 -1.061 0.000) 1.892 8.120 ( -0.654 0.115 0.000) 0.664 8.186 ( 1.443 -0.263 0.000) 1.467 8.402 ( 3.141 0.094 0.000) 3.142 8.689 ( 8.875 -0.140 0.000) 8.876 8.693 ( 2.003 0.478 0.000) 2.060 9.712 ( 1.435 -0.094 0.000) 1.438 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.000 7.516 0.000) 7.516 0.926 ( -0.000 12.707 0.000) 12.707 1.121 ( 0.000 -5.624 0.000) 5.624 1.387 ( 0.000 -4.269 0.000) 4.269 1.433 ( -0.000 20.809 0.000) 20.809 1.465 ( -0.000 0.693 0.000) 0.693 1.541 ( 0.000 -7.381 0.000) 7.381 1.801 ( -0.000 1.032 0.000) 1.032 2.205 ( 0.000 -0.039 0.000) 0.039 2.271 ( 0.000 -8.843 0.000) 8.843 2.378 ( -0.000 2.202 0.000) 2.202 2.585 ( 0.000 -7.907 0.000) 7.907 2.634 ( 0.000 -0.351 0.000) 0.351 2.965 ( 0.000 -0.131 0.000) 0.131 3.073 ( -0.000 0.073 0.000) 0.073 3.394 ( 0.000 -0.444 0.000) 0.444 3.992 ( 0.000 -0.137 0.000) 0.137 4.566 ( -0.000 0.451 0.000) 0.451 6.025 ( -0.000 0.034 0.000) 0.034 6.234 ( -0.000 0.053 0.000) 0.053 6.379 ( 0.000 -0.037 0.000) 0.037 6.516 ( -0.000 0.101 0.000) 0.101 6.600 ( -0.000 0.085 0.000) 0.085 6.692 ( -0.000 0.036 0.000) 0.036 6.736 ( -0.000 0.030 0.000) 0.030 6.764 ( 0.000 -0.100 0.000) 0.100 7.046 ( -0.000 0.272 0.000) 0.272 7.152 ( 0.000 -0.276 0.000) 0.276 7.384 ( -0.000 0.523 0.000) 0.523 7.504 ( 0.000 -1.221 0.000) 1.221 8.114 ( 0.000 -0.207 0.000) 0.207 8.201 ( -0.000 0.046 0.000) 0.046 8.433 ( -0.000 0.302 0.000) 0.302 8.710 ( -0.000 0.752 0.000) 0.752 8.786 ( 0.000 -0.702 0.000) 0.702 9.727 ( 0.000 -0.134 0.000) 0.134 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -15.783 0.000 0.000) 15.783 1.111 ( -3.813 0.000 0.000) 3.813 1.284 ( -20.616 0.000 0.000) 20.616 1.328 ( 1.806 -0.000 0.000) 1.806 1.350 ( 9.725 -0.000 0.000) 9.725 1.513 ( -3.850 0.000 0.000) 3.850 1.726 ( -9.705 0.000 0.000) 9.705 1.817 ( -0.615 0.000 0.000) 0.615 2.148 ( 0.869 -0.000 0.000) 0.869 2.365 ( -15.223 0.000 0.000) 15.223 2.383 ( 1.241 -0.000 0.000) 1.241 2.511 ( -0.548 0.000 0.000) 0.548 2.652 ( -1.964 0.000 0.000) 1.964 2.978 ( -1.494 0.000 0.000) 1.494 3.156 ( -7.873 0.000 0.000) 7.873 3.405 ( -1.726 0.000 0.000) 1.726 3.973 ( 1.872 -0.000 0.000) 1.872 4.556 ( 1.284 -0.000 0.000) 1.284 6.081 ( -5.199 0.000 0.000) 5.199 6.389 ( -11.639 0.000 0.000) 11.639 6.401 ( -2.106 0.000 0.000) 2.106 6.523 ( 3.466 -0.000 0.000) 3.466 6.581 ( -6.357 0.000 0.000) 6.357 6.729 ( -2.489 0.000 0.000) 2.489 6.758 ( 0.522 -0.000 0.000) 0.522 7.030 ( 1.892 -0.000 0.000) 1.892 7.056 ( -26.793 0.000 0.000) 26.793 7.165 ( -1.574 0.000 0.000) 1.574 7.351 ( 3.673 -0.000 0.000) 3.673 7.477 ( 1.827 -0.000 0.000) 1.827 8.121 ( -0.848 0.000 0.000) 0.848 8.185 ( 1.657 -0.000 0.000) 1.657 8.402 ( 3.198 -0.000 0.000) 3.198 8.688 ( 8.772 -0.000 0.000) 8.772 8.696 ( 2.027 -0.000 0.000) 2.027 9.711 ( 1.434 -0.000 0.000) 1.434 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.000 2.777 0.000) 2.777 1.024 ( -0.000 5.494 0.000) 5.494 1.080 ( 0.000 -2.088 0.000) 2.088 1.355 ( 0.000 -1.655 0.000) 1.655 1.468 ( 0.000 -0.375 0.000) 0.375 1.481 ( 0.000 -3.082 0.000) 3.082 1.596 ( -0.000 9.437 0.000) 9.437 1.809 ( -0.000 0.502 0.000) 0.502 2.190 ( 0.000 -5.422 0.000) 5.422 2.204 ( 0.000 -0.014 0.000) 0.014 2.394 ( -0.000 0.745 0.000) 0.745 2.528 ( 0.000 -2.883 0.000) 2.883 2.632 ( 0.000 -0.127 0.000) 0.127 2.964 ( 0.000 -0.048 0.000) 0.048 3.073 ( -0.000 0.026 0.000) 0.026 3.390 ( 0.000 -0.160 0.000) 0.160 3.991 ( 0.000 -0.049 0.000) 0.049 4.570 ( -0.000 0.162 0.000) 0.162 6.025 ( -0.000 0.012 0.000) 0.012 6.235 ( -0.000 0.019 0.000) 0.019 6.379 ( 0.000 -0.013 0.000) 0.013 6.516 ( -0.000 0.036 0.000) 0.036 6.600 ( -0.000 0.028 0.000) 0.028 6.693 ( -0.000 0.013 0.000) 0.013 6.736 ( -0.000 0.011 0.000) 0.011 6.764 ( 0.000 -0.033 0.000) 0.033 7.048 ( -0.000 0.095 0.000) 0.095 7.151 ( 0.000 -0.043 0.000) 0.043 7.387 ( -0.000 0.130 0.000) 0.130 7.495 ( 0.000 -0.436 0.000) 0.436 8.113 ( 0.000 -0.090 0.000) 0.090 8.202 ( -0.000 0.032 0.000) 0.032 8.435 ( -0.000 0.110 0.000) 0.110 8.715 ( -0.000 0.270 0.000) 0.270 8.781 ( 0.000 -0.252 0.000) 0.252 9.726 ( 0.000 -0.048 0.000) 0.048 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 0.000 0.000 15.468) 15.468 0.461 ( 0.000 0.000 23.033) 23.033 0.833 ( 0.000 0.000 31.977) 31.977 1.321 ( 0.000 0.000 -6.112) 6.112 1.373 ( 0.000 0.000 -5.500) 5.500 1.633 ( 0.000 0.000 -2.349) 2.349 1.799 ( 0.000 0.000 1.319) 1.319 1.841 ( 0.000 0.000 12.185) 12.185 2.104 ( 0.000 0.000 -8.489) 8.489 2.320 ( 0.000 0.000 5.832) 5.832 2.451 ( 0.000 0.000 -0.654) 0.654 2.581 ( 0.000 0.000 5.361) 5.361 2.738 ( 0.000 0.000 6.906) 6.906 2.924 ( 0.000 0.000 -4.817) 4.817 3.047 ( 0.000 0.000 -2.242) 2.242 3.332 ( 0.000 0.000 -9.431) 9.431 4.240 ( 0.000 0.000 0.160) 0.160 4.466 ( 0.000 0.000 -6.807) 6.807 6.038 ( 0.000 0.000 1.523) 1.523 6.201 ( 0.000 0.000 -2.728) 2.728 6.404 ( 0.000 0.000 1.898) 1.898 6.502 ( 0.000 0.000 -0.835) 0.835 6.646 ( 0.000 0.000 5.279) 5.279 6.695 ( 0.000 0.000 0.441) 0.441 6.730 ( 0.000 0.000 -0.401) 0.401 6.800 ( 0.000 0.000 2.752) 2.752 7.135 ( 0.000 0.000 -5.877) 5.877 7.190 ( 0.000 0.000 -6.237) 6.237 7.373 ( 0.000 0.000 3.525) 3.525 7.508 ( 0.000 0.000 -2.510) 2.510 8.243 ( 0.000 0.000 2.948) 2.948 8.249 ( 0.000 0.000 0.103) 0.103 8.273 ( 0.000 0.000 -0.483) 0.483 8.401 ( 0.000 0.000 -1.519) 1.519 9.754 ( 0.000 0.000 1.921) 1.921 9.880 ( 0.000 0.000 -0.981) 0.981 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 14.331 -4.000 10.408) 18.158 0.740 ( 16.952 -2.779 15.750) 23.306 1.044 ( 19.245 -2.885 15.550) 24.910 1.391 ( 7.804 0.794 -1.935) 8.079 1.426 ( 4.648 -0.416 -5.154) 6.953 1.600 ( -1.853 0.355 -0.613) 1.984 1.832 ( 1.905 0.362 9.769) 9.959 1.906 ( 9.316 1.208 4.494) 10.413 2.255 ( 13.185 0.257 -9.680) 16.359 2.300 ( -1.310 0.210 6.086) 6.229 2.424 ( -2.339 0.037 -0.665) 2.432 2.578 ( 0.112 -0.120 5.659) 5.661 2.782 ( 4.204 0.079 6.838) 8.028 2.937 ( 1.596 -0.188 -3.602) 3.944 3.124 ( 7.246 -0.040 -2.518) 7.671 3.345 ( 1.574 0.151 -9.115) 9.251 4.088 ( -7.832 0.311 6.435) 10.141 4.447 ( -1.745 -0.306 -7.187) 7.402 6.088 ( 4.856 -0.040 1.720) 5.151 6.345 ( 5.499 0.194 -5.980) 8.126 6.467 ( 3.864 0.120 0.498) 3.898 6.565 ( 5.974 0.004 -1.242) 6.101 6.615 ( 0.187 0.584 2.096) 2.183 6.717 ( 1.981 -0.097 0.406) 2.024 6.795 ( -0.525 -0.168 2.629) 2.686 6.950 ( 8.895 0.171 -4.314) 9.887 7.123 ( -0.720 0.577 -6.865) 6.927 7.185 ( -0.267 -0.044 -5.412) 5.419 7.482 ( -2.059 0.672 -2.319) 3.173 7.528 ( 14.134 0.970 -14.049) 19.951 8.199 ( -2.711 4.523 0.814) 5.336 8.242 ( 0.159 1.787 1.343) 2.241 8.281 ( -1.080 -3.958 -1.054) 4.236 8.385 ( -2.365 -3.109 -1.110) 4.061 9.514 ( -21.916 5.325 22.865) 32.117 9.735 ( -2.183 -0.350 1.330) 2.581 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 18.587 -1.337 6.629) 19.779 1.031 ( 12.069 -2.387 10.168) 15.961 1.389 ( 12.740 -0.686 -3.792) 13.310 1.486 ( 1.077 0.581 -3.210) 3.435 1.596 ( 10.656 0.656 0.392) 10.683 1.657 ( 8.834 -3.948 1.934) 9.867 1.891 ( 5.017 0.710 13.701) 14.608 2.160 ( 14.850 4.519 4.991) 16.305 2.279 ( 0.133 0.939 4.185) 4.291 2.356 ( -0.462 -1.082 0.108) 1.181 2.536 ( 11.050 0.057 -10.046) 14.934 2.603 ( 2.899 -0.580 6.183) 6.853 2.886 ( 6.358 0.106 4.004) 7.515 3.004 ( 5.574 -0.273 1.443) 5.764 3.310 ( 11.700 -0.195 -2.538) 11.974 3.414 ( 6.682 0.203 -7.903) 10.351 3.973 ( -4.910 0.017 4.812) 6.874 4.414 ( -1.663 -0.501 -7.816) 8.006 6.207 ( 6.906 -0.041 2.075) 7.211 6.427 ( 3.382 -0.009 -1.468) 3.687 6.493 ( -0.546 0.103 1.921) 2.000 6.651 ( 3.817 2.005 -2.374) 4.922 6.690 ( 3.739 -1.175 -3.632) 5.343 6.772 ( 4.539 0.020 1.750) 4.865 6.785 ( 0.088 -0.192 1.226) 1.244 6.983 ( -2.543 -0.043 1.990) 3.230 7.117 ( 0.617 0.684 -3.450) 3.571 7.190 ( 0.573 -1.199 -2.663) 2.976 7.414 ( -4.477 0.508 -1.587) 4.777 7.759 ( 8.872 1.797 -20.726) 22.617 8.116 ( -3.733 2.098 0.624) 4.327 8.222 ( -1.565 2.002 -2.793) 3.776 8.276 ( -0.692 -1.890 0.863) 2.190 8.355 ( -1.775 -2.237 -1.064) 3.047 9.172 ( -11.979 3.298 25.204) 28.100 9.684 ( -2.975 -0.033 -0.262) 2.987 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 17.494 2.282 3.971) 18.083 1.218 ( 6.887 -1.667 4.574) 8.434 1.442 ( -0.477 3.163 -1.847) 3.694 1.652 ( 10.932 -0.692 -4.952) 12.021 1.786 ( 9.239 -1.758 0.189) 9.407 1.835 ( 6.098 -2.269 -2.064) 6.826 2.026 ( 8.572 1.150 16.766) 18.865 2.219 ( -1.023 3.871 0.148) 4.007 2.267 ( 0.615 -0.275 1.850) 1.969 2.520 ( 8.086 0.191 7.055) 10.733 2.665 ( 3.076 -0.425 -6.027) 6.780 2.760 ( 13.973 -1.887 5.276) 15.055 3.003 ( 5.434 -0.089 -1.846) 5.740 3.127 ( 5.690 -0.064 3.908) 6.903 3.559 ( 12.981 -0.501 -3.336) 13.412 3.635 ( 16.031 0.143 -4.851) 16.750 3.885 ( -3.807 -0.002 5.472) 6.666 4.395 ( -0.560 -0.486 -8.349) 8.382 6.335 ( 5.991 0.107 2.308) 6.421 6.441 ( -1.742 0.280 0.215) 1.777 6.506 ( 1.946 -0.274 2.557) 3.224 6.654 ( -2.543 1.058 -3.506) 4.458 6.739 ( 1.547 -0.137 -4.020) 4.309 6.777 ( -0.258 -0.373 0.776) 0.898 6.900 ( 5.146 -0.057 -2.479) 5.712 6.914 ( -3.278 -0.351 1.426) 3.592 7.150 ( 3.559 0.911 -0.033) 3.674 7.219 ( 1.601 -1.584 2.128) 3.099 7.312 ( -5.539 0.491 -0.777) 5.614 7.866 ( 3.673 0.607 -16.236) 16.657 8.049 ( -2.333 0.313 0.283) 2.371 8.165 ( -3.222 0.330 -3.796) 4.990 8.277 ( 0.314 0.316 1.498) 1.563 8.339 ( -0.694 0.403 -2.044) 2.196 8.981 ( -7.153 2.107 22.243) 23.460 9.628 ( -2.724 0.080 -1.864) 3.302 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 2.002 -0.166 1.790) 2.691 1.415 ( -0.356 1.148 -1.427) 1.866 1.485 ( 14.438 4.777 3.695) 15.651 1.823 ( 6.340 1.002 -4.871) 8.057 1.919 ( 4.407 1.819 -0.152) 4.770 1.926 ( 2.276 2.502 -0.236) 3.391 2.141 ( 3.260 -1.390 7.234) 8.055 2.205 ( 1.158 -3.542 1.221) 3.921 2.386 ( 11.248 -0.364 6.858) 13.179 2.621 ( 4.163 0.279 5.443) 6.858 2.698 ( 0.607 -0.961 -2.117) 2.403 3.047 ( 12.746 -1.048 4.422) 13.532 3.096 ( 4.247 -0.070 -2.880) 5.132 3.211 ( 3.223 -0.156 2.711) 4.214 3.678 ( -3.508 -0.347 -1.162) 3.712 3.934 ( 10.547 -0.249 4.266) 11.380 3.966 ( 16.796 0.173 -3.024) 17.067 4.395 ( 0.267 -0.294 -8.989) 8.998 6.399 ( -2.093 0.240 -0.777) 2.245 6.421 ( 2.770 0.543 1.563) 3.227 6.532 ( 0.148 -0.582 4.390) 4.431 6.589 ( -2.854 0.402 -2.489) 3.808 6.728 ( -2.693 -0.093 -2.796) 3.882 6.782 ( 0.945 0.103 0.117) 0.958 6.854 ( -1.812 -0.254 0.234) 1.845 6.971 ( 1.120 -0.701 -5.979) 6.123 7.204 ( -4.223 0.014 2.015) 4.679 7.238 ( 3.866 0.808 1.886) 4.377 7.270 ( 3.767 -0.385 2.223) 4.391 7.916 ( 1.873 -0.183 -13.558) 13.688 8.028 ( 0.142 -0.252 -0.033) 0.291 8.111 ( -2.187 -0.378 -2.827) 3.594 8.280 ( 0.249 1.120 0.950) 1.489 8.316 ( -1.307 1.609 -2.015) 2.891 8.859 ( -4.856 1.182 20.465) 21.066 9.581 ( -2.043 0.120 -3.111) 3.723 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.953 -0.089 1.021) 1.400 1.392 ( -1.440 0.023 -0.890) 1.693 1.682 ( 7.894 7.360 3.649) 11.393 1.873 ( 0.116 1.260 -0.430) 1.337 1.890 ( -1.373 2.589 0.135) 2.933 2.002 ( 5.421 3.232 -3.583) 7.258 2.206 ( 1.781 -3.236 4.032) 5.468 2.258 ( 0.738 -5.088 1.279) 5.298 2.627 ( 10.763 -0.332 4.121) 11.530 2.693 ( 2.820 -0.463 1.697) 3.324 2.729 ( 4.204 -0.696 5.786) 7.186 3.166 ( 3.088 -0.034 -1.692) 3.521 3.242 ( 7.044 -0.390 3.227) 7.757 3.259 ( 1.840 -0.217 1.381) 2.311 3.552 ( -8.108 -0.138 1.747) 8.295 4.142 ( 9.018 -0.138 2.407) 9.335 4.239 ( 11.106 0.222 -2.837) 11.465 4.404 ( 0.408 -0.134 -9.543) 9.553 6.365 ( -1.244 -0.034 -1.477) 1.931 6.433 ( -0.519 0.994 -1.166) 1.618 6.510 ( -2.572 -0.471 4.036) 4.809 6.562 ( -0.306 -0.298 0.603) 0.739 6.677 ( -1.842 0.237 0.827) 2.033 6.798 ( 0.411 -0.125 -3.025) 3.055 6.841 ( 0.081 -0.155 -1.464) 1.475 6.978 ( 0.185 -0.444 -4.934) 4.957 7.126 ( -3.481 -0.232 2.245) 4.149 7.289 ( 1.673 -0.048 7.660) 7.841 7.367 ( 5.203 0.696 -2.686) 5.897 7.947 ( 1.424 -0.407 -13.362) 13.444 8.049 ( 1.579 -0.344 -0.448) 1.677 8.088 ( -0.520 -0.606 -1.776) 1.947 8.270 ( -2.245 1.781 -0.946) 3.018 8.276 ( -0.229 1.086 0.525) 1.227 8.777 ( -3.324 0.454 20.063) 20.341 9.548 ( -1.322 0.095 -3.920) 4.138 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 1.184 -0.067 0.395) 1.250 1.362 ( -1.558 -0.143 -0.334) 1.600 1.700 ( -0.454 3.936 4.491) 5.989 1.871 ( 0.044 0.525 -0.318) 0.616 1.893 ( 1.479 0.422 0.506) 1.619 2.073 ( 2.662 1.630 -3.525) 4.708 2.241 ( 0.983 -1.115 2.621) 3.013 2.267 ( -1.454 -2.427 2.377) 3.696 2.719 ( 1.167 -0.402 0.055) 1.236 2.732 ( 1.290 -0.388 -0.228) 1.366 2.893 ( 7.548 -0.063 11.397) 13.670 3.211 ( 1.329 -0.021 0.866) 1.587 3.278 ( 0.369 -0.083 -0.854) 0.935 3.336 ( 2.585 -0.138 1.823) 3.167 3.403 ( -6.118 0.002 2.579) 6.640 4.259 ( 3.010 0.024 2.339) 3.812 4.382 ( 3.854 0.273 -5.559) 6.770 4.410 ( 0.088 -0.206 -7.297) 7.301 6.353 ( -0.079 -0.129 -1.356) 1.364 6.419 ( -0.312 0.454 -2.104) 2.175 6.461 ( -1.827 -0.055 2.245) 2.895 6.560 ( -0.154 -0.203 1.269) 1.295 6.656 ( -0.421 0.091 3.516) 3.543 6.801 ( -0.013 -0.158 -4.983) 4.985 6.846 ( 0.144 -0.020 -2.332) 2.337 6.991 ( 0.634 0.043 -6.069) 6.102 7.079 ( -1.358 -0.259 5.971) 6.128 7.308 ( 0.423 0.003 7.818) 7.830 7.439 ( 2.124 0.266 -3.632) 4.216 7.975 ( 1.013 -0.292 -14.957) 14.994 8.080 ( 0.952 -0.207 -1.401) 1.706 8.089 ( 0.284 -0.388 -1.014) 1.122 8.216 ( -1.930 1.039 1.495) 2.653 8.269 ( -0.120 0.442 0.156) 0.484 8.730 ( -1.291 0.082 20.372) 20.413 9.530 ( -0.478 0.035 -4.310) 4.337 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 19.734 -0.000 6.824) 20.881 1.018 ( 12.548 -0.000 10.504) 16.364 1.382 ( 14.772 -0.000 -2.503) 14.983 1.491 ( 0.255 -0.000 -4.360) 4.367 1.615 ( 12.801 -0.000 0.618) 12.816 1.622 ( 5.825 -0.000 0.668) 5.864 1.895 ( 5.114 -0.000 14.098) 14.997 2.184 ( 15.723 -0.000 5.356) 16.610 2.285 ( 2.119 -0.000 5.435) 5.833 2.348 ( -3.438 0.000 -0.776) 3.525 2.536 ( 10.904 -0.000 -10.279) 14.985 2.600 ( 2.787 -0.000 6.139) 6.742 2.886 ( 6.273 -0.000 3.830) 7.350 3.003 ( 5.665 -0.000 1.549) 5.873 3.309 ( 11.659 -0.000 -2.519) 11.928 3.415 ( 6.642 -0.000 -7.887) 10.311 3.973 ( -4.940 0.000 4.797) 6.886 4.411 ( -1.629 0.000 -7.862) 8.029 6.206 ( 6.928 -0.000 2.110) 7.242 6.427 ( 3.346 -0.000 -1.391) 3.623 6.494 ( -0.512 0.000 1.955) 2.021 6.667 ( 4.390 -0.000 -2.523) 5.064 6.678 ( 3.039 -0.000 -3.740) 4.820 6.772 ( 4.004 -0.000 1.948) 4.453 6.784 ( 0.648 -0.000 1.157) 1.326 6.983 ( -2.604 0.000 2.030) 3.302 7.121 ( 0.608 -0.000 -3.596) 3.647 7.183 ( 0.429 -0.000 -2.252) 2.292 7.416 ( -4.521 0.000 -1.756) 4.850 7.768 ( 8.367 -0.000 -21.620) 23.183 8.129 ( -4.716 0.000 0.395) 4.732 8.236 ( -2.844 0.000 -4.013) 4.918 8.262 ( 0.897 -0.000 2.022) 2.212 8.343 ( -0.718 0.000 -0.811) 1.083 9.190 ( -12.802 0.000 25.078) 28.157 9.684 ( -2.926 0.000 -0.291) 2.941 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 18.990 1.178 4.347) 19.517 1.206 ( 7.052 -0.725 4.669) 8.489 1.465 ( -1.576 1.191 -2.006) 2.815 1.645 ( 12.381 -0.483 -4.384) 13.143 1.776 ( 9.029 -0.173 -0.043) 9.031 1.814 ( 7.426 -1.411 -2.849) 8.078 2.033 ( 8.375 0.377 17.250) 19.179 2.248 ( 0.061 1.533 0.993) 1.827 2.266 ( -3.166 0.015 0.667) 3.236 2.521 ( 9.048 0.108 7.654) 11.852 2.661 ( 2.815 -0.258 -6.744) 7.313 2.746 ( 14.097 -0.724 5.692) 15.220 3.002 ( 5.432 -0.044 -1.951) 5.772 3.127 ( 5.704 -0.021 4.004) 6.969 3.556 ( 12.921 -0.178 -3.316) 13.341 3.636 ( 16.012 0.052 -4.862) 16.734 3.885 ( -3.797 -0.001 5.520) 6.700 4.391 ( -0.464 -0.177 -8.311) 8.326 6.336 ( 6.079 0.041 2.379) 6.528 6.443 ( -1.702 0.094 0.299) 1.731 6.504 ( 1.811 -0.094 2.625) 3.191 6.663 ( -2.994 0.534 -3.709) 4.797 6.737 ( 1.767 -0.152 -4.630) 4.958 6.774 ( -0.054 -0.201 1.493) 1.507 6.900 ( 5.623 -0.009 -3.041) 6.393 6.911 ( -3.987 -0.141 1.805) 4.379 7.159 ( 3.794 0.631 -0.311) 3.859 7.205 ( 1.575 -0.891 3.107) 3.595 7.316 ( -5.567 0.218 -1.226) 5.705 7.870 ( 3.212 0.182 -16.473) 16.784 8.051 ( -2.787 0.135 0.299) 2.806 8.168 ( -3.651 0.115 -3.882) 5.330 8.280 ( 0.797 0.126 1.430) 1.642 8.341 ( -0.016 0.128 -2.192) 2.196 8.996 ( -7.728 0.793 22.062) 23.390 9.628 ( -2.703 0.028 -1.860) 3.282 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 2.174 -0.151 2.050) 2.992 1.424 ( -1.230 0.633 -1.540) 2.070 1.527 ( 15.373 3.074 3.386) 16.039 1.831 ( 6.236 0.653 -4.383) 7.650 1.934 ( 6.069 1.130 0.016) 6.173 1.942 ( 6.029 0.699 -0.210) 6.073 2.135 ( 0.742 0.138 6.091) 6.137 2.172 ( -2.115 -2.674 1.514) 3.730 2.383 ( 11.617 -0.243 7.101) 13.617 2.625 ( 4.055 0.511 6.086) 7.331 2.688 ( 0.360 -0.908 -2.545) 2.726 3.038 ( 13.239 -0.608 4.647) 14.044 3.095 ( 4.242 -0.046 -2.943) 5.163 3.210 ( 3.185 -0.088 2.734) 4.198 3.675 ( -3.309 -0.194 -1.202) 3.526 3.932 ( 10.449 -0.141 4.472) 11.367 3.968 ( 16.805 0.097 -3.023) 17.075 4.393 ( 0.381 -0.166 -8.821) 8.831 6.401 ( -2.222 0.124 -0.723) 2.340 6.426 ( 3.043 0.315 1.786) 3.542 6.527 ( 0.107 -0.325 4.411) 4.425 6.593 ( -3.230 0.306 -2.727) 4.238 6.727 ( -2.455 -0.081 -2.852) 3.764 6.782 ( 0.896 0.051 0.080) 0.901 6.852 ( -1.774 -0.162 0.370) 1.820 6.965 ( 1.053 -0.422 -5.996) 6.102 7.204 ( -4.275 -0.009 2.697) 5.054 7.246 ( 2.725 0.641 3.244) 4.285 7.266 ( 5.105 -0.399 0.282) 5.129 7.914 ( 1.715 -0.089 -13.529) 13.637 8.026 ( 0.105 -0.109 -0.073) 0.168 8.108 ( -2.340 -0.184 -2.917) 3.744 8.289 ( 0.295 0.616 0.939) 1.161 8.328 ( -1.220 0.828 -2.065) 2.537 8.869 ( -5.299 0.702 20.280) 20.972 9.582 ( -2.049 0.068 -3.081) 3.701 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.931 -0.058 1.061) 1.413 1.392 ( -1.694 0.013 -0.902) 1.919 1.748 ( 8.787 5.219 2.899) 10.623 1.884 ( 0.429 0.799 -0.500) 1.036 1.925 ( -4.006 4.315 0.390) 5.901 2.035 ( 4.968 2.830 -2.257) 6.147 2.162 ( 2.123 -5.210 1.494) 5.821 2.212 ( 1.653 -3.655 2.674) 4.821 2.624 ( 10.558 -0.224 3.979) 11.285 2.690 ( 1.974 -0.202 0.753) 2.122 2.722 ( 5.238 -0.646 7.345) 9.044 3.166 ( 3.085 -0.024 -1.694) 3.519 3.239 ( 7.366 -0.268 3.320) 8.084 3.257 ( 1.770 -0.166 1.338) 2.225 3.551 ( -8.042 -0.097 1.846) 8.251 4.141 ( 9.157 -0.094 2.481) 9.487 4.241 ( 11.115 0.155 -2.753) 11.452 4.402 ( 0.438 -0.098 -9.391) 9.402 6.364 ( -1.377 -0.051 -1.465) 2.011 6.442 ( -0.589 0.760 -1.103) 1.463 6.506 ( -2.347 -0.334 4.178) 4.804 6.559 ( -0.430 -0.194 0.436) 0.643 6.679 ( -1.845 0.173 0.743) 1.997 6.797 ( 0.321 -0.091 -3.148) 3.165 6.840 ( 0.139 -0.113 -1.424) 1.435 6.974 ( 0.485 -0.364 -4.480) 4.521 7.124 ( -3.585 -0.152 2.214) 4.216 7.289 ( 1.685 -0.015 7.679) 7.862 7.373 ( 5.091 0.445 -2.855) 5.853 7.944 ( 1.402 -0.267 -13.298) 13.375 8.047 ( 1.610 -0.150 -0.466) 1.683 8.083 ( -0.478 -0.402 -1.864) 1.966 8.284 ( -0.846 0.885 0.007) 1.224 8.286 ( -2.042 1.001 -0.376) 2.305 8.781 ( -3.603 0.346 19.974) 20.300 9.549 ( -1.348 0.068 -3.888) 4.115 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 1.290 -0.037 0.383) 1.346 1.361 ( -1.516 -0.129 -0.333) 1.558 1.744 ( -4.109 4.516 4.121) 7.366 1.876 ( -0.458 0.423 -0.209) 0.657 1.895 ( 1.039 0.038 0.596) 1.199 2.084 ( 0.669 0.516 -3.056) 3.171 2.226 ( 2.710 -1.456 0.808) 3.181 2.247 ( 0.738 -1.559 3.735) 4.114 2.716 ( 1.423 -0.270 0.059) 1.450 2.728 ( 1.754 -0.327 -0.187) 1.794 2.893 ( 7.605 -0.052 11.540) 13.821 3.210 ( 1.345 -0.020 0.871) 1.603 3.277 ( 0.444 -0.071 -0.878) 0.987 3.335 ( 2.662 -0.125 1.793) 3.212 3.403 ( -6.048 -0.003 2.674) 6.613 4.259 ( 3.042 0.068 2.367) 3.855 4.385 ( 3.847 0.209 -5.342) 6.586 4.408 ( 0.010 -0.196 -7.419) 7.421 6.352 ( -0.035 -0.169 -1.394) 1.405 6.424 ( -0.716 0.441 -2.144) 2.303 6.461 ( -1.708 -0.035 2.400) 2.945 6.558 ( 0.020 -0.171 1.241) 1.253 6.657 ( -0.518 0.078 3.418) 3.458 6.799 ( 0.088 -0.131 -4.980) 4.983 6.846 ( 0.210 0.001 -2.302) 2.312 6.991 ( 0.682 -0.001 -5.967) 6.006 7.076 ( -1.187 -0.206 6.025) 6.144 7.308 ( 0.426 0.000 7.796) 7.808 7.441 ( 1.855 0.197 -3.679) 4.125 7.973 ( 1.242 -0.220 -14.857) 14.911 8.078 ( 1.168 -0.122 -1.185) 1.668 8.085 ( 0.428 -0.342 -1.113) 1.241 8.225 ( -2.678 0.810 1.266) 3.071 8.273 ( -0.531 0.374 0.189) 0.676 8.730 ( -1.393 0.081 20.361) 20.409 9.530 ( -0.512 0.030 -4.296) 4.327 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -1.111 0.082 0.404) 1.185 1.364 ( 1.663 0.127 -0.325) 1.699 1.666 ( -3.234 -2.702 4.777) 6.371 1.866 ( -0.599 -0.544 -0.360) 0.885 1.888 ( -1.763 -0.588 0.377) 1.896 2.054 ( -3.850 -1.907 -3.875) 5.786 2.249 ( 0.044 0.569 4.419) 4.456 2.293 ( 3.234 2.402 0.966) 4.143 2.724 ( -0.751 0.454 0.035) 0.878 2.736 ( -0.973 0.352 -0.255) 1.066 2.894 ( -7.485 0.060 11.244) 13.508 3.211 ( -1.310 0.016 0.857) 1.566 3.279 ( -0.286 0.077 -0.830) 0.881 3.338 ( -2.508 0.118 1.863) 3.127 3.403 ( 6.200 -0.008 2.467) 6.673 4.259 ( -3.006 0.035 2.333) 3.805 4.379 ( -3.839 -0.281 -5.865) 7.016 4.412 ( -0.167 0.166 -7.120) 7.124 6.354 ( 0.147 0.043 -1.325) 1.334 6.415 ( -0.125 -0.363 -2.070) 2.105 6.462 ( 1.958 0.083 2.116) 2.884 6.562 ( 0.339 0.190 1.299) 1.356 6.655 ( 0.323 -0.085 3.601) 3.616 6.802 ( 0.146 0.145 -4.995) 4.999 6.846 ( -0.113 0.043 -2.351) 2.354 6.990 ( -0.596 -0.086 -6.165) 6.195 7.082 ( 1.547 0.255 5.898) 6.103 7.308 ( -0.416 -0.005 7.848) 7.859 7.436 ( -2.420 -0.278 -3.583) 4.333 7.978 ( -0.766 0.307 -15.097) 15.120 8.082 ( -0.665 0.228 -1.571) 1.721 8.093 ( 0.004 0.374 -0.970) 1.040 8.205 ( 0.956 -1.053 1.791) 2.287 8.264 ( -0.337 -0.409 0.112) 0.542 8.729 ( 1.189 -0.062 20.373) 20.408 9.530 ( 0.442 -0.031 -4.325) 4.348 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -0.999 0.098 0.970) 1.396 1.392 ( 1.101 -0.025 -0.869) 1.403 1.605 ( -7.466 -7.282 4.331) 11.292 1.858 ( 0.009 -1.604 -0.159) 1.612 1.870 ( -0.670 -1.494 -0.135) 1.643 1.971 ( -5.633 -2.870 -4.827) 7.954 2.232 ( -1.371 2.036 6.005) 6.487 2.309 ( -0.150 4.663 0.348) 4.678 2.630 ( -11.155 0.331 4.370) 11.985 2.699 ( -3.014 0.725 1.813) 3.591 2.735 ( -3.717 0.481 4.852) 6.131 3.167 ( -3.089 0.036 -1.689) 3.521 3.247 ( -6.700 0.436 3.127) 7.407 3.262 ( -1.879 0.202 1.419) 2.364 3.554 ( 8.191 0.148 1.629) 8.353 4.143 ( -8.867 0.153 2.316) 9.166 4.237 ( -11.093 -0.241 -2.942) 11.479 4.405 ( -0.363 0.137 -9.723) 9.731 6.365 ( 1.097 -0.008 -1.484) 1.846 6.423 ( 0.428 -0.976 -1.215) 1.616 6.515 ( 2.840 0.524 3.861) 4.821 6.565 ( 0.203 0.338 0.750) 0.847 6.674 ( 1.831 -0.245 0.934) 2.070 6.799 ( -0.556 0.123 -2.885) 2.940 6.843 ( 0.014 0.169 -1.530) 1.540 6.983 ( 0.163 0.382 -5.416) 5.432 7.129 ( 3.344 0.267 2.254) 4.041 7.290 ( -1.610 0.096 7.677) 7.844 7.359 ( -5.400 -0.838 -2.511) 6.014 7.952 ( -1.440 0.473 -13.446) 13.532 8.054 ( -1.517 0.579 -0.442) 1.683 8.095 ( 0.609 0.741 -1.663) 1.919 8.249 ( 2.043 -2.202 -0.904) 3.137 8.264 ( -0.155 -1.198 0.460) 1.293 8.772 ( 3.006 -0.441 20.140) 20.368 9.547 ( 1.291 -0.099 -3.960) 4.166 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -2.119 -0.145 1.294) 2.487 1.402 ( -0.910 -1.425 -1.304) 2.135 1.435 ( -12.341 -4.778 4.275) 13.907 1.812 ( -6.337 -1.017 -5.371) 8.369 1.890 ( -0.741 -3.749 -0.022) 3.822 1.900 ( -2.161 -2.196 -0.551) 3.129 2.160 ( -5.631 2.015 8.984) 10.792 2.244 ( -3.473 3.959 0.575) 5.297 2.390 ( -10.780 0.332 6.365) 12.524 2.620 ( -4.405 0.252 5.046) 6.703 2.706 ( -0.855 0.525 -2.036) 2.269 3.059 ( -12.096 1.224 4.104) 12.832 3.097 ( -4.287 0.063 -2.776) 5.108 3.213 ( -3.271 0.189 2.679) 4.232 3.682 ( 3.791 0.424 -1.099) 3.970 3.937 ( -10.682 0.299 3.972) 11.400 3.964 ( -16.781 -0.210 -3.025) 17.053 4.398 ( -0.107 0.355 -9.225) 9.232 6.396 ( 1.893 -0.314 -0.835) 2.093 6.415 ( -2.367 -0.623 1.243) 2.745 6.539 ( -0.205 0.711 4.342) 4.405 6.586 ( 2.422 -0.295 -2.214) 3.295 6.728 ( 2.949 0.058 -2.739) 4.025 6.780 ( -1.023 -0.150 0.171) 1.048 6.857 ( 1.807 0.261 0.112) 1.829 6.979 ( -1.192 0.763 -5.915) 6.082 7.204 ( 4.169 -0.108 1.048) 4.300 7.230 ( -4.820 -0.743 1.086) 4.996 7.274 ( -2.520 0.283 3.829) 4.593 7.918 ( -2.126 0.273 -13.629) 13.797 8.032 ( -0.236 0.426 0.028) 0.487 8.116 ( 1.970 0.584 -2.700) 3.393 8.266 ( -0.160 -1.422 0.917) 1.699 8.296 ( 1.434 -2.225 -1.816) 3.210 8.846 ( 4.272 -1.322 20.662) 21.140 9.580 ( 2.034 -0.143 -3.151) 3.753 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -15.244 -1.910 3.411) 15.737 1.239 ( -5.955 2.380 4.150) 7.639 1.403 ( -1.031 -4.167 -1.578) 4.573 1.658 ( -9.301 0.504 -5.163) 10.650 1.808 ( -8.144 2.200 0.730) 8.467 1.854 ( -4.228 1.355 -1.417) 4.661 2.009 ( -8.828 -2.079 15.590) 18.037 2.178 ( -2.561 -3.534 1.358) 4.571 2.271 ( -1.745 0.578 1.219) 2.206 2.518 ( -7.246 -0.067 6.719) 9.882 2.668 ( -3.442 0.154 -5.453) 6.450 2.783 ( -13.739 2.363 4.814) 14.749 3.004 ( -5.475 0.043 -1.669) 5.724 3.128 ( -5.660 0.106 3.739) 6.784 3.566 ( -13.088 0.724 -3.371) 13.534 3.633 ( -16.064 -0.201 -4.832) 16.777 3.886 ( 3.829 0.004 5.389) 6.611 4.401 ( 0.726 0.678 -8.417) 8.475 6.334 ( -5.835 -0.127 2.175) 6.228 6.437 ( 1.776 -0.425 0.062) 1.828 6.509 ( -2.158 0.410 2.421) 3.269 6.644 ( 2.248 -0.863 -3.282) 4.071 6.739 ( -1.545 -0.072 -3.356) 3.696 6.780 ( 0.345 0.055 0.045) 0.352 6.901 ( -4.540 0.163 -1.706) 4.853 6.918 ( 2.356 0.379 1.048) 2.606 7.143 ( -3.178 -0.487 -0.194) 3.221 7.234 ( -1.450 1.078 0.601) 1.904 7.308 ( 5.447 -0.163 0.424) 5.466 7.857 ( -4.709 -1.136 -15.653) 16.385 8.046 ( 1.688 -0.272 0.130) 1.715 8.161 ( 2.423 -0.498 -3.620) 4.384 8.274 ( 0.560 -0.374 1.539) 1.680 8.333 ( 1.917 -0.685 -1.679) 2.639 8.955 ( 6.223 -2.746 22.461) 23.468 9.627 ( 2.754 -0.117 -1.873) 3.333 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -15.312 3.829 5.887) 16.846 1.065 ( -10.853 4.144 9.052) 14.728 1.377 ( -6.860 -3.332 -4.576) 8.894 1.492 ( -4.487 1.809 -2.211) 5.319 1.608 ( -10.950 2.883 0.788) 11.350 1.698 ( -9.894 4.006 4.164) 11.458 1.881 ( -4.696 -1.347 12.380) 13.309 2.096 ( -12.845 -7.715 4.718) 15.709 2.270 ( 0.620 -0.763 1.795) 2.047 2.364 ( -2.959 0.379 1.283) 3.247 2.535 ( -11.433 -0.292 -9.604) 14.934 2.612 ( -3.200 1.140 6.265) 7.127 2.884 ( -6.572 -0.269 4.424) 7.927 3.008 ( -5.365 0.442 1.200) 5.516 3.313 ( -11.816 0.354 -2.591) 12.102 3.411 ( -6.794 -0.359 -7.946) 10.461 3.973 ( 4.828 -0.023 4.856) 6.848 4.421 ( 1.753 0.873 -7.692) 7.937 6.207 ( -6.850 0.084 1.977) 7.130 6.427 ( -3.476 -0.031 -1.691) 3.866 6.491 ( 0.625 -0.183 1.822) 1.935 6.631 ( -3.936 -1.737 -1.706) 4.628 6.699 ( -3.871 0.525 -3.597) 5.310 6.771 ( -5.224 -0.208 1.096) 5.342 6.787 ( 0.549 0.104 1.562) 1.659 6.984 ( 2.398 0.071 1.870) 3.042 7.111 ( -0.658 -0.250 -3.356) 3.429 7.203 ( -0.912 1.282 -3.572) 3.903 7.407 ( 4.311 -0.720 -1.045) 4.494 7.731 ( -10.240 -3.706 -17.945) 20.990 8.093 ( 2.301 -2.182 0.568) 3.222 8.200 ( 0.785 -2.226 -2.490) 3.431 8.295 ( 1.965 1.854 0.782) 2.813 8.384 ( 3.890 3.064 -1.462) 5.163 9.127 ( 10.017 -5.231 25.394) 27.795 9.684 ( 3.066 0.005 -0.206) 3.073 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -9.849 10.642 8.900) 17.014 0.791 ( -14.563 6.871 15.412) 22.290 1.099 ( -18.581 7.425 10.752) 22.715 1.378 ( -7.620 -1.455 1.217) 7.853 1.433 ( -4.194 0.971 -4.714) 6.384 1.593 ( 0.465 -0.953 1.727) 2.026 1.825 ( -2.408 -1.042 8.000) 8.420 1.882 ( -8.595 -3.461 5.143) 10.597 2.249 ( -12.837 -0.782 -9.997) 16.289 2.295 ( 0.721 -0.803 4.100) 4.240 2.420 ( 3.448 -0.957 -1.746) 3.981 2.582 ( -0.197 0.680 5.860) 5.903 2.780 ( -4.116 -0.252 6.915) 8.051 2.941 ( -1.656 0.436 -3.419) 3.824 3.125 ( -7.288 0.107 -2.539) 7.718 3.342 ( -1.579 -0.436 -9.181) 9.326 4.082 ( 7.043 -0.785 6.509) 9.622 4.453 ( 1.779 0.825 -6.988) 7.258 6.089 ( -4.861 0.108 1.670) 5.141 6.341 ( -5.879 -0.571 -6.043) 8.450 6.465 ( -4.084 -0.313 0.725) 4.159 6.565 ( -5.461 -0.032 -1.007) 5.553 6.605 ( -0.347 -1.291 2.307) 2.667 6.718 ( -1.994 0.154 0.161) 2.006 6.797 ( 0.496 0.224 2.733) 2.786 6.947 ( -9.286 -0.501 -4.440) 10.305 7.114 ( 0.484 -1.066 -6.309) 6.416 7.184 ( -0.755 -0.240 -5.730) 5.784 7.467 ( -1.433 -2.439 -2.268) 3.626 7.513 ( -9.372 -1.688 -8.720) 12.912 8.147 ( 1.362 -4.681 1.371) 5.065 8.219 ( 0.149 -2.476 -0.272) 2.495 8.320 ( 1.785 3.498 -0.444) 3.952 8.436 ( 3.395 6.088 -1.883) 7.221 9.421 ( 16.398 -11.650 25.237) 32.273 9.739 ( 2.555 0.293 1.615) 3.037 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -0.000 16.879 10.700) 19.985 0.505 ( -0.000 8.082 20.999) 22.500 0.858 ( -0.000 4.929 30.145) 30.545 1.316 ( 0.000 -0.899 -4.774) 4.858 1.379 ( -0.000 1.001 -5.234) 5.328 1.625 ( 0.000 -1.541 -1.438) 2.108 1.788 ( 0.000 -2.133 1.346) 2.522 1.834 ( 0.000 -1.272 12.123) 12.189 2.102 ( 0.000 -0.469 -8.692) 8.704 2.314 ( 0.000 -1.195 5.256) 5.390 2.470 ( -0.000 2.769 -4.833) 5.570 2.581 ( -0.000 0.122 5.633) 5.635 2.737 ( 0.000 -0.093 6.950) 6.951 2.926 ( -0.000 0.276 -4.713) 4.721 3.047 ( -0.000 0.056 -2.241) 2.242 3.331 ( 0.000 -0.252 -9.507) 9.510 4.222 ( 0.000 -3.239 1.953) 3.782 4.469 ( -0.000 0.664 -6.658) 6.691 6.038 ( -0.000 0.025 1.524) 1.524 6.201 ( -0.000 0.030 -2.730) 2.730 6.404 ( 0.000 -0.008 1.907) 1.907 6.502 ( -0.000 0.070 -0.838) 0.840 6.643 ( 0.000 -0.534 5.023) 5.052 6.695 ( -0.000 0.025 0.441) 0.442 6.731 ( -0.000 0.023 -0.401) 0.401 6.801 ( -0.000 0.231 2.857) 2.867 7.128 ( 0.000 -1.251 -6.101) 6.228 7.182 ( 0.000 -1.316 -4.256) 4.455 7.374 ( -0.000 0.144 3.678) 3.681 7.506 ( 0.000 -0.318 -2.658) 2.676 8.189 ( 0.000 -6.268 1.806) 6.523 8.233 ( 0.000 -2.062 1.089) 2.331 8.319 ( -0.000 4.401 -0.998) 4.513 8.437 ( -0.000 6.205 -1.840) 6.472 9.721 ( 0.000 -11.183 5.781) 12.589 9.802 ( 0.000 -8.143 5.603) 9.884 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 2.265 -0.000 2.130) 3.109 1.428 ( -1.541 0.000 -1.589) 2.213 1.543 ( 15.608 -0.000 3.295) 15.952 1.835 ( 6.182 -0.000 -4.175) 7.460 1.942 ( 7.947 -0.000 0.048) 7.947 1.943 ( 6.759 -0.000 -0.137) 6.760 2.140 ( 2.475 -0.000 7.011) 7.435 2.155 ( -6.532 0.000 0.247) 6.537 2.381 ( 11.767 -0.000 7.166) 13.778 2.628 ( 4.079 -0.000 6.590) 7.750 2.683 ( 0.204 -0.000 -2.974) 2.981 3.035 ( 13.425 -0.000 4.729) 14.234 3.095 ( 4.245 -0.000 -2.963) 5.177 3.209 ( 3.170 -0.000 2.742) 4.192 3.674 ( -3.237 0.000 -1.216) 3.458 3.931 ( 10.413 -0.000 4.546) 11.363 3.968 ( 16.809 -0.000 -3.023) 17.078 4.392 ( 0.423 -0.000 -8.760) 8.770 6.401 ( -2.266 0.000 -0.699) 2.371 6.428 ( 3.138 -0.000 1.865) 3.650 6.525 ( 0.091 -0.000 4.417) 4.418 6.595 ( -3.383 0.000 -2.823) 4.406 6.726 ( -2.352 0.000 -2.875) 3.715 6.783 ( 0.879 -0.000 0.066) 0.882 6.851 ( -1.751 0.000 0.430) 1.803 6.963 ( 1.025 -0.000 -5.996) 6.083 7.204 ( -4.299 0.000 2.938) 5.207 7.250 ( 1.675 -0.000 4.692) 4.982 7.264 ( 6.226 -0.000 -1.373) 6.376 7.914 ( 1.663 -0.000 -13.522) 13.624 8.026 ( 0.096 -0.000 -0.087) 0.130 8.107 ( -2.395 0.000 -2.949) 3.799 8.292 ( 0.309 -0.000 0.929) 0.979 8.332 ( -1.188 0.000 -2.067) 2.384 8.873 ( -5.465 0.000 20.204) 20.930 9.582 ( -2.051 0.000 -3.071) 3.693 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.921 -0.020 1.084) 1.423 1.392 ( -1.829 0.004 -0.906) 2.041 1.784 ( 9.085 1.697 2.315) 9.528 1.889 ( 0.499 0.280 -0.507) 0.765 1.974 ( -6.446 4.194 0.692) 7.721 2.053 ( 3.919 0.282 -1.178) 4.102 2.111 ( 4.313 -3.416 0.635) 5.538 2.185 ( 2.219 -1.496 2.535) 3.686 2.622 ( 10.509 -0.075 3.942) 11.224 2.689 ( 0.949 -0.040 -0.484) 1.066 2.717 ( 6.325 -0.273 8.883) 10.908 3.166 ( 3.082 -0.008 -1.695) 3.518 3.237 ( 7.559 -0.095 3.377) 8.280 3.256 ( 1.718 -0.062 1.310) 2.162 3.550 ( -8.005 -0.035 1.902) 8.228 4.140 ( 9.240 -0.033 2.523) 9.579 4.242 ( 11.119 0.055 -2.707) 11.444 4.402 ( 0.452 -0.036 -9.304) 9.315 6.364 ( -1.456 -0.024 -1.454) 2.057 6.448 ( -0.622 0.288 -1.060) 1.263 6.503 ( -2.220 -0.124 4.264) 4.809 6.558 ( -0.521 -0.065 0.319) 0.614 6.680 ( -1.844 0.064 0.698) 1.973 6.796 ( 0.283 -0.033 -3.224) 3.236 6.839 ( 0.163 -0.042 -1.405) 1.415 6.971 ( 0.661 -0.141 -4.200) 4.254 7.123 ( -3.639 -0.052 2.186) 4.246 7.289 ( 1.680 -0.002 7.699) 7.880 7.376 ( 5.041 0.151 -2.955) 5.846 7.942 ( 1.386 -0.092 -13.265) 13.337 8.046 ( 1.625 -0.037 -0.476) 1.694 8.080 ( -0.467 -0.142 -1.915) 1.976 8.290 ( -0.423 0.269 0.523) 0.724 8.294 ( -2.676 0.386 -0.850) 2.834 8.783 ( -3.768 0.130 19.914) 20.268 9.549 ( -1.363 0.025 -3.869) 4.102 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 1.391 -0.012 0.372) 1.440 1.360 ( -1.522 -0.079 -0.328) 1.559 1.787 ( -7.375 3.558 3.822) 9.036 1.880 ( -0.867 0.214 -0.089) 0.898 1.894 ( 0.845 -0.361 0.601) 1.098 2.083 ( -0.827 -0.583 -2.493) 2.691 2.217 ( 4.739 -0.253 0.704) 4.798 2.233 ( 2.224 -1.172 3.331) 4.173 2.714 ( 1.503 -0.127 0.052) 1.509 2.726 ( 2.198 -0.186 -0.148) 2.211 2.892 ( 7.645 -0.029 11.641) 13.927 3.210 ( 1.355 -0.013 0.873) 1.612 3.277 ( 0.496 -0.040 -0.895) 1.024 3.334 ( 2.718 -0.075 1.777) 3.248 3.403 ( -6.003 -0.004 2.735) 6.597 4.260 ( 3.081 0.058 2.400) 3.906 4.387 ( 3.827 0.111 -5.247) 6.495 4.406 ( -0.045 -0.122 -7.460) 7.462 6.350 ( -0.013 -0.117 -1.424) 1.429 6.427 ( -1.005 0.279 -2.199) 2.433 6.461 ( -1.618 -0.022 2.550) 3.020 6.557 ( 0.142 -0.098 1.220) 1.232 6.658 ( -0.590 0.046 3.338) 3.390 6.798 ( 0.145 -0.074 -4.986) 4.989 6.846 ( 0.279 0.007 -2.274) 2.291 6.991 ( 0.723 -0.015 -5.888) 5.932 7.075 ( -1.072 -0.112 6.055) 6.150 7.308 ( 0.425 -0.000 7.783) 7.795 7.443 ( 1.669 0.102 -3.714) 4.073 7.971 ( 1.402 -0.117 -14.798) 14.865 8.077 ( 1.339 -0.023 -0.936) 1.634 8.082 ( 0.433 -0.229 -1.281) 1.372 8.232 ( -3.136 0.439 1.129) 3.362 8.276 ( -0.811 0.214 0.209) 0.865 8.731 ( -1.469 0.051 20.348) 20.401 9.531 ( -0.537 0.017 -4.286) 4.320 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -1.078 0.068 0.408) 1.154 1.365 ( 1.799 0.087 -0.308) 1.827 1.645 ( -6.411 -1.422 4.938) 8.216 1.861 ( -1.084 -0.463 -0.327) 1.223 1.882 ( -1.815 -0.481 0.247) 1.894 2.036 ( -4.304 -1.473 -4.118) 6.136 2.253 ( 0.686 0.275 5.368) 5.418 2.314 ( 4.293 1.624 0.307) 4.600 2.728 ( -0.278 0.371 0.004) 0.464 2.739 ( -0.868 0.234 -0.261) 0.936 2.895 ( -7.432 0.043 11.117) 13.372 3.211 ( -1.293 0.009 0.848) 1.546 3.280 ( -0.213 0.053 -0.811) 0.840 3.339 ( -2.448 0.076 1.904) 3.102 3.403 ( 6.273 -0.010 2.366) 6.704 4.259 ( -3.024 0.059 2.349) 3.830 4.377 ( -3.810 -0.216 -6.169) 7.254 4.413 ( -0.231 0.103 -6.947) 6.951 6.354 ( 0.219 -0.014 -1.311) 1.329 6.412 ( -0.497 -0.229 -2.030) 2.102 6.463 ( 2.071 0.085 2.024) 2.897 6.564 ( 0.495 0.135 1.324) 1.420 6.655 ( 0.244 -0.061 3.654) 3.662 6.804 ( 0.277 0.099 -5.010) 5.018 6.847 ( -0.115 0.047 -2.358) 2.361 6.989 ( -0.577 -0.089 -6.238) 6.265 7.084 ( 1.709 0.188 5.827) 6.076 7.308 ( -0.408 -0.005 7.878) 7.889 7.433 ( -2.671 -0.213 -3.545) 4.443 7.981 ( -0.555 0.241 -15.255) 15.267 8.084 ( -0.374 0.174 -1.677) 1.727 8.097 ( 0.412 0.285 -0.973) 1.094 8.195 ( -0.062 -0.802 2.095) 2.245 8.261 ( -0.736 -0.286 0.070) 0.793 8.728 ( 1.108 -0.036 20.368) 20.398 9.529 ( 0.412 -0.021 -4.338) 4.357 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -1.088 0.072 0.919) 1.425 1.392 ( 0.746 -0.007 -0.834) 1.120 1.538 ( -7.557 -5.672 4.909) 10.648 1.842 ( -0.869 -1.373 0.046) 1.626 1.858 ( -1.101 -0.982 -0.252) 1.497 1.945 ( -5.695 -2.108 -5.834) 8.421 2.249 ( -0.965 1.253 7.209) 7.380 2.351 ( 0.330 3.417 -0.044) 3.433 2.633 ( -11.612 0.228 4.619) 12.499 2.707 ( -2.637 0.857 1.250) 3.041 2.738 ( -3.821 0.133 4.632) 6.006 3.167 ( -3.088 0.030 -1.685) 3.518 3.251 ( -6.456 0.390 3.057) 7.154 3.263 ( -1.836 0.135 1.430) 2.331 3.555 ( 8.272 0.124 1.518) 8.411 4.145 ( -8.741 0.131 2.231) 9.022 4.235 ( -11.076 -0.204 -3.047) 11.490 4.406 ( -0.312 0.111 -9.889) 9.895 6.364 ( 0.978 -0.036 -1.489) 1.781 6.414 ( 0.340 -0.759 -1.234) 1.488 6.520 ( 3.087 0.464 3.688) 4.831 6.568 ( 0.137 0.292 0.845) 0.904 6.672 ( 1.816 -0.200 1.038) 2.101 6.800 ( -0.724 0.090 -2.748) 2.844 6.844 ( 0.123 0.152 -1.611) 1.623 6.986 ( 0.479 0.246 -5.811) 5.836 7.131 ( 3.200 0.235 2.231) 3.908 7.291 ( -1.461 0.133 7.770) 7.907 7.351 ( -5.684 -0.787 -2.411) 6.224 7.957 ( -1.446 0.424 -13.531) 13.615 8.061 ( -1.404 0.720 -0.483) 1.650 8.103 ( 0.742 0.775 -1.541) 1.878 8.226 ( 1.712 -2.197 -0.761) 2.887 8.252 ( -0.493 -1.056 0.354) 1.218 8.768 ( 2.727 -0.335 20.186) 20.372 9.546 ( 1.261 -0.081 -3.996) 4.191 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -3.214 -0.933 0.614) 3.403 1.387 ( -2.648 -1.409 -0.941) 3.144 1.393 ( -8.306 -3.222 4.773) 10.107 1.801 ( -6.129 -1.161 -5.446) 8.281 1.852 ( 0.029 -3.336 0.016) 3.336 1.878 ( -1.829 -2.199 -1.051) 3.047 2.180 ( -6.822 1.734 10.696) 12.804 2.284 ( -4.853 3.743 0.085) 6.130 2.392 ( -10.286 0.165 5.638) 11.731 2.626 ( -4.697 0.709 4.864) 6.799 2.708 ( -1.072 -0.033 -2.190) 2.439 3.071 ( -11.443 1.129 3.759) 12.097 3.097 ( -4.388 0.025 -2.641) 5.121 3.215 ( -3.313 0.178 2.647) 4.244 3.687 ( 4.094 0.405 -1.025) 4.240 3.940 ( -10.819 0.282 3.656) 11.423 3.962 ( -16.765 -0.201 -3.027) 17.037 4.402 ( 0.059 0.334 -9.474) 9.480 6.393 ( 1.693 -0.291 -0.902) 1.940 6.409 ( -1.944 -0.567 0.927) 2.227 6.546 ( -0.270 0.676 4.270) 4.331 6.584 ( 2.061 -0.129 -1.993) 2.870 6.729 ( 3.164 0.026 -2.703) 4.162 6.779 ( -1.131 -0.176 0.232) 1.168 6.859 ( 1.737 0.209 0.058) 1.751 6.986 ( -1.254 0.634 -5.800) 5.967 7.202 ( 3.946 -0.269 0.168) 3.959 7.224 ( -5.533 -0.483 0.402) 5.569 7.276 ( -1.284 0.176 5.199) 5.358 7.921 ( -2.429 0.320 -13.759) 13.976 8.037 ( -0.423 0.561 0.109) 0.711 8.123 ( 1.737 0.772 -2.581) 3.206 8.251 ( -0.002 -1.471 0.744) 1.648 8.271 ( 1.576 -2.458 -1.342) 3.214 8.833 ( 3.705 -1.144 20.791) 21.149 9.578 ( 2.024 -0.133 -3.194) 3.783 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -12.008 -0.616 2.504) 12.282 1.265 ( -4.983 2.566 3.347) 6.529 1.361 ( -2.223 -3.930 -0.962) 4.616 1.663 ( -8.125 0.415 -4.775) 9.433 1.824 ( -5.615 0.739 0.836) 5.725 1.857 ( -2.157 -1.060 -0.725) 2.510 1.984 ( -10.011 -2.523 14.685) 17.950 2.156 ( -7.226 -0.644 2.455) 7.659 2.278 ( -2.258 0.797 0.270) 2.410 2.519 ( -6.911 0.156 6.924) 9.784 2.668 ( -3.780 -0.243 -5.397) 6.593 2.807 ( -13.523 2.208 4.523) 14.430 3.004 ( -5.579 -0.061 -1.477) 5.771 3.130 ( -5.620 0.129 3.542) 6.645 3.573 ( -13.219 0.792 -3.412) 13.675 3.631 ( -16.102 -0.215 -4.809) 16.806 3.886 ( 3.864 0.005 5.291) 6.552 4.408 ( 0.921 0.710 -8.498) 8.578 6.332 ( -5.646 -0.097 1.999) 5.990 6.432 ( 1.777 -0.470 -0.124) 1.842 6.514 ( -2.385 0.451 2.233) 3.298 6.638 ( 2.309 -0.366 -3.193) 3.957 6.738 ( -1.827 -0.205 -3.010) 3.527 6.777 ( 0.088 -0.490 -0.183) 0.531 6.903 ( -3.978 0.296 -0.994) 4.111 6.921 ( 1.546 0.209 0.874) 1.788 7.141 ( -2.521 0.129 -0.623) 2.600 7.238 ( -0.954 -0.308 -1.279) 1.625 7.311 ( 5.036 0.875 2.086) 5.520 7.843 ( -6.342 -1.591 -14.678) 16.069 8.044 ( 1.193 -0.052 -0.258) 1.222 8.155 ( 1.385 -0.582 -3.370) 3.689 8.270 ( 1.601 -0.312 1.452) 2.184 8.325 ( 3.463 -0.868 -1.062) 3.725 8.927 ( 5.237 -2.637 22.554) 23.304 9.625 ( 2.782 -0.129 -1.887) 3.364 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -10.595 6.798 4.385) 13.330 1.112 ( -9.307 4.729 6.747) 12.430 1.333 ( -4.077 -4.468 -2.280) 6.464 1.512 ( -5.475 1.555 -1.631) 5.921 1.645 ( -9.804 3.728 2.238) 10.724 1.743 ( -10.608 4.825 4.911) 12.647 1.864 ( -4.056 -1.808 9.692) 10.661 2.008 ( -12.116 -9.039 5.486) 16.081 2.262 ( -0.087 -0.880 -0.785) 1.183 2.364 ( -5.163 -0.235 2.547) 5.762 2.530 ( -11.872 -0.697 -9.370) 15.140 2.626 ( -3.657 1.431 6.285) 7.411 2.880 ( -6.816 -0.440 4.896) 8.404 3.013 ( -5.162 0.461 0.961) 5.271 3.317 ( -11.986 0.441 -2.665) 12.286 3.407 ( -6.956 -0.432 -8.006) 10.614 3.973 ( 4.719 -0.017 4.923) 6.819 4.431 ( 1.873 1.029 -7.527) 7.824 6.208 ( -6.778 0.121 1.830) 7.022 6.426 ( -3.594 -0.125 -2.023) 4.126 6.489 ( 0.686 -0.212 1.665) 1.813 6.617 ( -4.436 -1.070 -0.923) 4.656 6.701 ( -3.592 -0.007 -3.472) 4.995 6.767 ( -5.029 -0.586 0.106) 5.064 6.787 ( 0.133 -0.130 2.254) 2.262 6.985 ( 2.251 0.085 1.670) 2.804 7.113 ( -0.696 0.678 -3.475) 3.609 7.213 ( -1.236 0.620 -4.766) 4.962 7.401 ( 3.910 -0.383 -0.144) 3.931 7.685 ( -11.942 -5.206 -13.676) 18.888 8.076 ( 1.578 -1.103 -0.347) 1.956 8.177 ( 0.268 -2.205 -2.517) 3.357 8.313 ( 2.907 1.583 1.151) 3.504 8.415 ( 5.967 2.897 -1.635) 6.832 9.071 ( 7.852 -5.454 25.336) 27.080 9.684 ( 3.130 -0.050 -0.165) 3.135 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -5.029 14.562 6.706) 16.803 0.872 ( -11.467 8.530 14.655) 20.470 1.178 ( -14.548 6.472 1.049) 15.957 1.375 ( -9.778 2.279 9.196) 13.615 1.445 ( -3.337 1.206 -3.808) 5.205 1.581 ( -1.749 -1.535 5.778) 6.229 1.807 ( -5.092 -3.196 2.850) 6.653 1.841 ( -5.151 -3.736 7.997) 10.220 2.239 ( -11.691 -1.314 -10.347) 15.667 2.282 ( -1.067 -1.684 0.939) 2.204 2.402 ( 4.073 -2.561 -2.442) 5.396 2.592 ( -0.073 1.134 5.923) 6.031 2.777 ( -3.977 -0.423 7.089) 8.140 2.946 ( -1.783 0.454 -3.124) 3.626 3.126 ( -7.368 0.143 -2.564) 7.803 3.336 ( -1.624 -0.656 -9.290) 9.454 4.073 ( 5.882 -0.946 6.597) 8.889 4.464 ( 1.814 1.114 -6.668) 7.000 6.090 ( -4.882 0.141 1.587) 5.135 6.333 ( -6.484 -0.876 -6.039) 8.903 6.461 ( -4.362 -0.383 1.151) 4.528 6.564 ( -4.070 -0.131 -0.348) 4.087 6.591 ( -1.162 -1.218 2.195) 2.767 6.719 ( -1.941 0.057 -0.126) 1.946 6.798 ( 0.457 -0.144 2.711) 2.753 6.940 ( -9.976 -0.763 -4.524) 10.980 7.104 ( -0.035 -0.601 -5.668) 5.700 7.179 ( -2.039 -0.768 -5.456) 5.875 7.434 ( -4.807 -3.727 -0.201) 6.086 7.498 ( -3.267 -1.139 -3.958) 5.257 8.110 ( 0.901 -2.602 0.242) 2.764 8.193 ( 0.176 -2.551 -1.365) 2.898 8.353 ( 2.202 2.971 0.615) 3.749 8.499 ( 4.525 6.063 -2.717) 8.039 9.296 ( 10.742 -12.019 26.961) 31.413 9.740 ( 2.514 0.009 1.683) 3.025 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -0.000 19.446 7.221) 20.743 0.615 ( -0.000 12.740 17.159) 21.372 0.932 ( -0.000 9.261 23.444) 25.207 1.304 ( 0.000 -1.210 -0.179) 1.224 1.393 ( -0.000 1.798 -4.476) 4.824 1.602 ( 0.000 -2.946 1.514) 3.312 1.755 ( 0.000 -4.192 1.418) 4.425 1.820 ( 0.000 -1.196 10.602) 10.670 2.095 ( 0.000 -0.864 -9.276) 9.316 2.297 ( 0.000 -2.187 2.526) 3.341 2.484 ( 0.000 -0.688 -7.482) 7.513 2.590 ( -0.000 1.569 3.820) 4.130 2.736 ( 0.000 -0.164 7.073) 7.075 2.929 ( -0.000 0.299 -4.401) 4.412 3.048 ( -0.000 0.099 -2.238) 2.240 3.327 ( 0.000 -0.561 -9.653) 9.670 4.182 ( 0.000 -4.128 5.037) 6.512 4.478 ( -0.000 1.028 -6.296) 6.379 6.039 ( -0.000 0.044 1.526) 1.527 6.201 ( -0.000 0.053 -2.736) 2.736 6.404 ( 0.000 -0.013 1.932) 1.932 6.503 ( -0.000 0.124 -0.844) 0.853 6.636 ( 0.000 -0.732 4.408) 4.468 6.695 ( -0.000 0.045 0.442) 0.444 6.731 ( -0.000 0.041 -0.398) 0.400 6.803 ( -0.000 0.033 3.009) 3.009 7.112 ( 0.000 -1.533 -6.054) 6.245 7.167 ( 0.000 -1.456 -1.029) 1.783 7.374 ( 0.000 -0.281 3.534) 3.545 7.502 ( 0.000 -0.436 -2.630) 2.665 8.136 ( 0.000 -4.034 1.082) 4.176 8.208 ( 0.000 -2.528 -0.449) 2.568 8.359 ( -0.000 3.559 -0.015) 3.559 8.510 ( -0.000 7.317 -2.903) 7.872 9.529 ( 0.000 -20.733 21.443) 29.827 9.772 ( 0.000 -0.814 3.188) 3.290 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 1.434 -0.000 0.368) 1.481 1.359 ( -1.533 0.000 -0.325) 1.567 1.808 ( -9.150 0.000 3.761) 9.892 1.881 ( -1.066 0.000 -0.030) 1.066 1.891 ( 1.131 -0.000 0.528) 1.248 2.079 ( -0.987 0.000 -2.207) 2.418 2.218 ( 6.086 -0.000 0.264) 6.092 2.225 ( 2.066 -0.000 3.517) 4.079 2.713 ( 1.504 -0.000 0.047) 1.504 2.725 ( 2.390 -0.000 -0.132) 2.393 2.892 ( 7.659 -0.000 11.677) 13.965 3.210 ( 1.358 -0.000 0.874) 1.615 3.277 ( 0.514 -0.000 -0.901) 1.037 3.333 ( 2.738 -0.000 1.772) 3.261 3.403 ( -5.987 0.000 2.757) 6.591 4.260 ( 3.098 -0.000 2.414) 3.928 4.387 ( 3.815 -0.000 -5.230) 6.473 4.405 ( -0.064 0.000 -7.461) 7.462 6.350 ( -0.007 0.000 -1.435) 1.435 6.429 ( -1.112 0.000 -2.230) 2.492 6.460 ( -1.583 0.000 2.619) 3.060 6.556 ( 0.186 -0.000 1.213) 1.227 6.658 ( -0.617 0.000 3.307) 3.364 6.798 ( 0.162 -0.000 -4.990) 4.993 6.846 ( 0.309 -0.000 -2.262) 2.283 6.991 ( 0.739 -0.000 -5.858) 5.904 7.074 ( -1.031 0.000 6.065) 6.152 7.308 ( 0.425 -0.000 7.779) 7.791 7.443 ( 1.603 -0.000 -3.726) 4.057 7.970 ( 1.460 -0.000 -14.779) 14.850 8.077 ( 1.467 -0.000 -0.754) 1.650 8.081 ( 0.355 -0.000 -1.435) 1.478 8.234 ( -3.289 0.000 1.083) 3.462 8.277 ( -0.911 0.000 0.215) 0.936 8.731 ( -1.497 0.000 20.341) 20.396 9.531 ( -0.545 0.000 -4.282) 4.317 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -1.070 0.026 0.408) 1.145 1.365 ( 1.897 0.031 -0.295) 1.920 1.635 ( -8.318 -0.417 5.001) 9.715 1.857 ( -1.340 -0.196 -0.277) 1.383 1.878 ( -1.773 -0.178 0.165) 1.789 2.025 ( -4.398 -0.551 -4.246) 6.138 2.255 ( 0.994 0.082 5.792) 5.877 2.325 ( 4.786 0.565 0.036) 4.820 2.731 ( 0.073 0.146 -0.022) 0.165 2.741 ( -0.907 0.078 -0.254) 0.945 2.895 ( -7.401 0.016 11.045) 13.295 3.211 ( -1.282 0.003 0.842) 1.534 3.280 ( -0.171 0.019 -0.800) 0.818 3.339 ( -2.414 0.026 1.930) 3.091 3.403 ( 6.317 -0.004 2.304) 6.724 4.260 ( -3.044 0.029 2.369) 3.857 4.375 ( -3.786 -0.082 -6.360) 7.402 4.414 ( -0.266 0.034 -6.841) 6.846 6.354 ( 0.266 -0.013 -1.308) 1.335 6.410 ( -0.709 -0.078 -2.000) 2.124 6.464 ( 2.136 0.037 1.976) 2.910 6.565 ( 0.584 0.049 1.339) 1.461 6.654 ( 0.201 -0.022 3.677) 3.683 6.804 ( 0.358 0.034 -5.019) 5.032 6.847 ( -0.127 0.021 -2.358) 2.362 6.989 ( -0.572 -0.038 -6.276) 6.302 7.085 ( 1.803 0.069 5.783) 6.057 7.308 ( -0.402 -0.002 7.897) 7.907 7.432 ( -2.815 -0.080 -3.524) 4.510 7.983 ( -0.433 0.092 -15.367) 15.373 8.085 ( -0.190 0.065 -1.723) 1.735 8.099 ( 0.755 0.110 -0.993) 1.252 8.189 ( -0.763 -0.303 2.300) 2.442 8.259 ( -0.970 -0.103 0.044) 0.976 8.728 ( 1.064 -0.011 20.362) 20.389 9.529 ( 0.396 -0.008 -4.345) 4.363 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -1.219 0.028 0.878) 1.502 1.392 ( 0.482 0.019 -0.799) 0.933 1.492 ( -7.772 -3.097 5.307) 9.907 1.831 ( -1.617 -0.781 0.135) 1.801 1.850 ( -1.121 -0.522 -0.246) 1.260 1.928 ( -5.687 -1.109 -6.495) 8.704 2.258 ( -0.692 0.598 7.896) 7.949 2.378 ( 0.709 1.809 -0.223) 1.956 2.635 ( -11.963 0.102 4.768) 12.878 2.716 ( -1.790 0.698 0.139) 1.927 2.738 ( -4.510 -0.142 5.218) 6.898 3.167 ( -3.087 0.017 -1.681) 3.515 3.254 ( -6.402 0.241 3.046) 7.094 3.264 ( -1.686 0.053 1.399) 2.191 3.556 ( 8.332 0.071 1.439) 8.455 4.146 ( -8.662 0.076 2.170) 8.930 4.233 ( -11.063 -0.117 -3.124) 11.496 4.407 ( -0.271 0.061 -10.005) 10.009 6.364 ( 0.908 -0.029 -1.495) 1.749 6.408 ( 0.277 -0.413 -1.232) 1.328 6.524 ( 3.261 0.276 3.562) 4.837 6.571 ( 0.102 0.168 0.891) 0.912 6.671 ( 1.802 -0.112 1.111) 2.120 6.801 ( -0.860 0.044 -2.645) 2.782 6.846 ( 0.209 0.093 -1.680) 1.696 6.988 ( 0.697 0.110 -6.059) 6.100 7.133 ( 3.089 0.137 2.198) 3.794 7.292 ( -1.251 0.108 7.936) 8.035 7.344 ( -5.995 -0.493 -2.434) 6.489 7.960 ( -1.448 0.251 -13.589) 13.668 8.067 ( -1.262 0.549 -0.574) 1.491 8.110 ( 0.881 0.592 -1.452) 1.798 8.207 ( 1.394 -1.514 -0.573) 2.136 8.243 ( -0.764 -0.631 0.259) 1.024 8.765 ( 2.540 -0.177 20.204) 20.364 9.545 ( 1.241 -0.045 -4.022) 4.209 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -4.900 -1.442 0.276) 5.115 1.369 ( -5.210 -1.298 5.626) 7.777 1.375 ( -2.686 -1.013 -1.330) 3.164 1.786 ( -5.190 -1.816 -3.831) 6.701 1.829 ( -1.271 -1.045 -1.525) 2.244 1.856 ( -1.552 -1.917 -1.472) 2.872 2.194 ( -7.404 1.089 11.975) 14.121 2.318 ( -5.493 2.821 -0.068) 6.176 2.393 ( -9.881 -0.089 4.843) 11.005 2.634 ( -4.998 0.853 4.961) 7.094 2.706 ( -1.181 -0.408 -2.561) 2.849 3.081 ( -10.935 0.823 3.506) 11.513 3.097 ( -4.503 -0.036 -2.552) 5.176 3.216 ( -3.343 0.125 2.622) 4.251 3.690 ( 4.347 0.291 -0.957) 4.461 3.942 ( -10.925 0.202 3.394) 11.442 3.960 ( -16.753 -0.146 -3.032) 17.026 4.405 ( 0.195 0.237 -9.679) 9.684 6.390 ( 1.604 -0.172 -1.016) 1.907 6.404 ( -1.666 -0.415 0.735) 1.868 6.552 ( -0.332 0.483 4.194) 4.235 6.583 ( 1.825 -0.021 -1.865) 2.610 6.729 ( 3.327 0.013 -2.687) 4.277 6.777 ( -1.257 -0.151 0.290) 1.299 6.861 ( 1.637 0.130 0.066) 1.643 6.992 ( -1.302 0.399 -5.669) 5.830 7.199 ( 3.374 -0.316 -0.266) 3.399 7.220 ( -5.731 -0.206 -0.386) 5.748 7.278 ( -0.223 0.088 6.244) 6.249 7.924 ( -2.700 0.270 -13.923) 14.185 8.043 ( -0.701 0.531 0.191) 0.900 8.131 ( 1.529 0.819 -2.542) 3.078 8.237 ( 0.400 -1.330 0.058) 1.390 8.248 ( 1.537 -1.929 -0.258) 2.480 8.823 ( 3.275 -0.754 20.838) 21.108 9.577 ( 2.015 -0.093 -3.229) 3.807 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -8.365 0.572 1.268) 8.480 1.286 ( -5.139 0.796 0.541) 5.229 1.331 ( -1.817 -1.309 1.809) 2.879 1.666 ( -7.300 0.108 -4.035) 8.342 1.815 ( -2.460 -2.893 0.583) 3.843 1.841 ( -1.718 -1.136 -0.374) 2.093 1.964 ( -12.792 -1.416 15.650) 20.262 2.162 ( -9.651 1.443 1.905) 9.943 2.287 ( -2.535 0.780 -0.495) 2.698 2.521 ( -6.926 0.337 7.527) 10.234 2.664 ( -4.036 -0.513 -5.762) 7.054 2.827 ( -13.379 1.666 4.385) 14.178 3.002 ( -5.723 -0.137 -1.328) 5.877 3.131 ( -5.583 0.115 3.370) 6.522 3.581 ( -13.347 0.677 -3.449) 13.802 3.629 ( -16.134 -0.180 -4.790) 16.831 3.886 ( 3.906 0.006 5.201) 6.504 4.415 ( 1.099 0.581 -8.576) 8.665 6.332 ( -5.473 -0.045 1.819) 5.767 6.428 ( 1.754 -0.394 -0.300) 1.822 6.518 ( -2.580 0.379 2.033) 3.307 6.636 ( 2.715 0.076 -3.322) 4.291 6.736 ( -2.435 -0.218 -2.961) 3.840 6.770 ( -0.324 -0.834 0.158) 0.908 6.907 ( -3.681 0.397 -0.531) 3.740 6.922 ( 1.117 -0.045 0.906) 1.438 7.145 ( -1.649 0.648 -1.143) 2.109 7.229 ( -0.595 -1.210 -2.107) 2.502 7.324 ( 4.723 1.346 2.787) 5.647 7.826 ( -8.264 -1.635 -13.530) 15.938 8.044 ( 1.008 0.153 -0.792) 1.291 8.149 ( 0.310 -0.540 -3.094) 3.156 8.268 ( 2.507 -0.190 1.209) 2.790 8.316 ( 5.037 -0.829 -0.276) 5.112 8.903 ( 4.431 -1.976 22.479) 22.997 9.624 ( 2.802 -0.109 -1.902) 3.388 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -5.479 8.664 2.112) 10.467 1.153 ( -7.856 2.663 2.136) 8.565 1.300 ( -2.893 -1.292 2.113) 3.808 1.523 ( -5.984 0.617 0.896) 6.082 1.673 ( -9.430 1.585 6.914) 11.800 1.786 ( -6.674 1.852 1.465) 7.079 1.844 ( -3.001 -2.111 4.457) 5.773 1.927 ( -15.089 -5.129 8.469) 18.047 2.252 ( -1.588 -1.048 -2.262) 2.956 2.360 ( -6.656 -0.465 3.574) 7.569 2.521 ( -12.206 -0.959 -9.551) 15.529 2.640 ( -4.181 1.302 6.278) 7.654 2.875 ( -7.012 -0.516 5.283) 8.794 3.017 ( -5.035 0.362 0.806) 5.112 3.321 ( -12.176 0.428 -2.743) 12.488 3.402 ( -7.133 -0.405 -8.067) 10.776 3.973 ( 4.608 -0.006 4.999) 6.799 4.441 ( 1.991 0.948 -7.362) 7.686 6.210 ( -6.714 0.137 1.664) 6.919 6.425 ( -3.700 -0.210 -2.377) 4.403 6.487 ( 0.669 -0.180 1.473) 1.628 6.610 ( -5.222 -0.333 -0.132) 5.234 6.699 ( -2.911 -0.388 -3.430) 4.516 6.759 ( -4.038 -0.952 -0.553) 4.186 6.785 ( -1.198 -0.160 2.800) 3.050 6.986 ( 2.153 0.092 1.423) 2.583 7.125 ( -0.744 1.499 -3.782) 4.136 7.215 ( -1.232 -0.427 -5.906) 6.048 7.401 ( 3.201 0.495 0.766) 3.328 7.628 ( -13.383 -5.643 -9.209) 17.197 8.070 ( 1.412 -0.025 -1.592) 2.128 8.155 ( -0.152 -2.039 -2.559) 3.276 8.327 ( 3.652 1.219 1.598) 4.168 8.441 ( 7.688 2.270 -1.569) 8.169 9.020 ( 6.072 -4.446 24.967) 26.076 9.683 ( 3.156 -0.081 -0.150) 3.161 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -1.808 16.066 4.420) 16.761 0.959 ( -8.721 8.000 12.276) 17.052 1.210 ( -7.709 0.419 -2.743) 8.193 1.439 ( -12.809 7.430 10.112) 17.931 1.460 ( -3.121 3.633 0.848) 4.864 1.562 ( -4.633 -2.018 10.462) 11.618 1.748 ( -7.410 -7.675 1.363) 10.755 1.820 ( -1.360 -0.943 6.337) 6.550 2.222 ( -8.586 -2.011 -9.691) 13.103 2.261 ( -5.195 -2.356 -2.610) 6.273 2.369 ( 3.623 -3.718 -3.127) 6.060 2.603 ( -0.072 0.964 6.327) 6.401 2.772 ( -3.822 -0.497 7.350) 8.300 2.950 ( -1.937 0.337 -2.816) 3.434 3.128 ( -7.471 0.143 -2.576) 7.904 3.329 ( -1.730 -0.740 -9.416) 9.602 4.064 ( 4.789 -0.841 6.651) 8.239 4.475 ( 1.828 1.132 -6.328) 6.683 6.091 ( -4.927 0.137 1.495) 5.151 6.324 ( -7.047 -0.992 -5.852) 9.213 6.458 ( -4.546 -0.324 1.644) 4.845 6.562 ( -1.311 -0.315 1.066) 1.718 6.581 ( -3.323 -0.685 1.155) 3.584 6.719 ( -1.787 -0.068 -0.365) 1.825 6.794 ( 0.441 -0.527 2.478) 2.572 6.932 ( -10.709 -0.834 -4.430) 11.619 7.102 ( -0.664 0.181 -5.172) 5.218 7.170 ( -2.849 -1.006 -4.488) 5.410 7.396 ( -4.385 -3.581 2.290) 6.107 7.489 ( -0.384 -0.720 -1.684) 1.872 8.093 ( 0.676 -0.846 -1.278) 1.675 8.168 ( 0.233 -2.344 -2.201) 3.224 8.381 ( 2.595 2.467 1.614) 3.927 8.557 ( 5.508 5.134 -3.113) 8.148 9.184 ( 6.951 -9.623 27.017) 29.510 9.739 ( 2.392 -0.123 1.635) 2.900 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -0.000 14.429 13.915) 20.045 0.772 ( -0.000 16.451 9.192) 18.844 1.037 ( -0.000 10.221 8.559) 13.331 1.302 ( -0.000 1.881 9.820) 9.999 1.414 ( -0.000 2.220 -3.351) 4.020 1.566 ( 0.000 -4.034 5.573) 6.880 1.703 ( 0.000 -6.069 1.503) 6.252 1.811 ( 0.000 -0.524 7.573) 7.591 2.085 ( 0.000 -1.106 -10.165) 10.225 2.268 ( 0.000 -3.437 -1.055) 3.595 2.458 ( 0.000 -3.975 -6.934) 7.992 2.605 ( -0.000 1.069 2.789) 2.987 2.734 ( 0.000 -0.197 7.248) 7.250 2.931 ( -0.000 0.197 -3.977) 3.981 3.049 ( -0.000 0.118 -2.233) 2.237 3.320 ( 0.000 -0.825 -9.766) 9.801 4.143 ( 0.000 -3.388 6.939) 7.722 4.490 ( -0.000 1.131 -5.899) 6.006 6.039 ( -0.000 0.054 1.529) 1.530 6.202 ( -0.000 0.064 -2.743) 2.744 6.403 ( 0.000 -0.014 1.966) 1.966 6.504 ( -0.000 0.147 -0.853) 0.865 6.629 ( 0.000 -0.641 3.727) 3.781 6.696 ( -0.000 0.054 0.442) 0.446 6.731 ( -0.000 0.050 -0.395) 0.398 6.801 ( 0.000 -0.374 2.929) 2.952 7.100 ( 0.000 -0.856 -5.630) 5.695 7.154 ( 0.000 -1.140 0.994) 1.512 7.368 ( 0.000 -0.953 2.536) 2.709 7.498 ( 0.000 -0.320 -1.957) 1.983 8.106 ( 0.000 -1.867 -0.537) 1.942 8.183 ( 0.000 -2.363 -1.715) 2.920 8.393 ( -0.000 3.099 1.209) 3.327 8.581 ( -0.000 6.565 -3.522) 7.450 9.338 ( 0.000 -15.958 26.456) 30.896 9.767 ( 0.000 -0.411 2.661) 2.693 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -1.294 0.000 0.862) 1.555 1.392 ( 0.394 -0.000 -0.787) 0.880 1.476 ( -7.867 0.000 5.454) 9.572 1.827 ( -1.882 0.000 0.161) 1.889 1.847 ( -1.109 0.000 -0.232) 1.133 1.923 ( -5.677 0.000 -6.725) 8.801 2.261 ( -0.597 0.000 8.121) 8.143 2.388 ( 0.859 -0.000 -0.276) 0.903 2.635 ( -12.094 0.000 4.811) 13.016 2.720 ( -1.007 0.000 -0.889) 1.343 2.737 ( -5.247 0.000 6.067) 8.022 3.167 ( -3.087 0.000 -1.679) 3.514 3.255 ( -6.444 0.000 3.062) 7.134 3.265 ( -1.570 0.000 1.368) 2.082 3.556 ( 8.354 -0.000 1.411) 8.472 4.146 ( -8.635 0.000 2.149) 8.898 4.232 ( -11.057 0.000 -3.153) 11.498 4.407 ( -0.255 0.000 -10.046) 10.049 6.364 ( 0.886 -0.000 -1.498) 1.741 6.406 ( 0.253 -0.000 -1.228) 1.254 6.526 ( 3.324 -0.000 3.516) 4.838 6.572 ( 0.091 -0.000 0.904) 0.908 6.670 ( 1.797 -0.000 1.138) 2.127 6.801 ( -0.912 0.000 -2.606) 2.761 6.846 ( 0.242 -0.000 -1.707) 1.724 6.988 ( 0.774 -0.000 -6.143) 6.192 7.134 ( 3.047 -0.000 2.182) 3.748 7.293 ( -1.137 0.000 8.036) 8.116 7.341 ( -6.147 0.000 -2.480) 6.628 7.962 ( -1.449 0.000 -13.608) 13.685 8.071 ( -1.188 0.000 -0.628) 1.344 8.114 ( 0.948 -0.000 -1.428) 1.714 8.198 ( 1.250 -0.000 -0.470) 1.336 8.240 ( -0.872 0.000 0.220) 0.899 8.764 ( 2.475 -0.000 20.208) 20.359 9.545 ( 1.233 -0.000 -4.031) 4.215 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -5.619 -0.675 0.336) 5.669 1.362 ( -3.028 -0.262 5.636) 6.404 1.367 ( -3.201 -0.381 -1.336) 3.490 1.770 ( -4.636 -0.895 -2.387) 5.291 1.827 ( -2.746 0.398 -3.327) 4.332 1.840 ( -1.011 -1.233 -1.280) 2.044 2.202 ( -7.670 0.365 12.643) 14.792 2.339 ( -5.628 1.135 -0.032) 5.741 2.391 ( -9.741 -0.155 4.299) 10.649 2.641 ( -5.257 0.426 5.295) 7.474 2.702 ( -1.143 -0.272 -3.046) 3.265 3.087 ( -10.874 0.337 3.646) 11.474 3.096 ( -4.367 -0.059 -2.782) 5.178 3.217 ( -3.358 0.045 2.610) 4.253 3.692 ( 4.490 0.106 -0.916) 4.584 3.944 ( -10.978 0.074 3.250) 11.449 3.959 ( -16.751 -0.054 -3.040) 17.025 4.407 ( 0.271 0.085 -9.794) 9.798 6.389 ( 1.643 -0.046 -1.150) 2.006 6.401 ( -1.596 -0.161 0.698) 1.749 6.555 ( -0.372 0.176 4.149) 4.170 6.583 ( 1.716 0.005 -1.818) 2.500 6.729 ( 3.422 0.005 -2.684) 4.349 6.776 ( -1.352 -0.061 0.328) 1.393 6.862 ( 1.565 0.043 0.091) 1.568 6.994 ( -1.330 0.134 -5.581) 5.739 7.196 ( 2.932 -0.137 -0.381) 2.960 7.219 ( -5.732 -0.051 -0.950) 5.810 7.278 ( 0.402 0.026 6.818) 6.830 7.926 ( -2.858 0.107 -14.041) 14.330 8.047 ( -0.940 0.228 0.242) 0.997 8.138 ( 1.379 0.416 -2.609) 2.981 8.225 ( 1.298 -0.760 -0.912) 1.759 8.235 ( 0.947 -0.587 1.065) 1.542 8.818 ( 3.049 -0.261 20.843) 21.066 9.576 ( 2.010 -0.033 -3.248) 3.819 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -5.369 0.782 0.068) 5.427 1.279 ( -6.054 -1.256 -2.337) 6.610 1.336 ( -0.265 1.412 4.824) 5.033 1.664 ( -6.676 -0.425 -3.134) 7.387 1.781 ( -2.743 -2.843 0.600) 3.996 1.833 ( -0.863 -0.492 -0.614) 1.168 1.954 ( -14.748 -0.532 16.860) 22.406 2.178 ( -10.174 1.322 0.908) 10.300 2.293 ( -2.642 0.479 -0.956) 2.850 2.525 ( -7.075 0.304 8.245) 10.868 2.659 ( -4.185 -0.439 -6.296) 7.572 2.840 ( -13.300 0.894 4.336) 14.018 3.001 ( -5.847 -0.115 -1.251) 5.981 3.132 ( -5.560 0.066 3.257) 6.444 3.587 ( -13.440 0.391 -3.473) 13.887 3.627 ( -16.155 -0.103 -4.779) 16.847 3.886 ( 3.941 0.004 5.138) 6.476 4.420 ( 1.222 0.325 -8.630) 8.723 6.331 ( -5.357 -0.009 1.681) 5.615 6.425 ( 1.733 -0.221 -0.423) 1.798 6.521 ( -2.714 0.215 1.881) 3.309 6.638 ( 3.296 0.210 -3.616) 4.898 6.734 ( -3.353 -0.128 -3.111) 4.576 6.762 ( -0.482 -0.671 0.836) 1.176 6.911 ( -4.203 0.406 -0.480) 4.250 6.920 ( 1.588 -0.233 1.167) 1.984 7.153 ( -0.742 0.737 -1.619) 1.928 7.216 ( -0.814 -1.114 -2.133) 2.541 7.336 ( 4.832 0.909 2.820) 5.668 7.812 ( -9.855 -1.055 -12.611) 16.040 8.046 ( 1.040 0.169 -1.245) 1.631 8.145 ( -0.537 -0.337 -2.867) 2.936 8.266 ( 3.056 -0.074 0.899) 3.186 8.309 ( 6.270 -0.516 0.443) 6.307 8.888 ( 3.925 -1.035 22.337) 22.703 9.623 ( 2.813 -0.062 -1.914) 3.403 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.871 7.835 -0.739) 7.917 1.159 ( -6.799 -0.954 -2.203) 7.211 1.315 ( -1.381 3.878 5.785) 7.100 1.524 ( -6.936 -0.355 4.787) 8.435 1.681 ( -10.304 0.181 11.457) 15.410 1.745 ( -5.610 -7.756 1.523) 9.693 1.829 ( -1.486 -1.014 0.917) 2.019 1.928 ( -15.113 3.638 5.626) 16.531 2.241 ( -3.479 -0.987 -2.002) 4.134 2.355 ( -7.817 -0.481 4.019) 8.803 2.511 ( -12.350 -0.840 -10.032) 15.934 2.651 ( -4.643 0.873 6.296) 7.871 2.870 ( -7.125 -0.422 5.539) 9.034 3.020 ( -4.981 0.217 0.733) 5.039 3.325 ( -12.341 0.310 -2.805) 12.660 3.399 ( -7.283 -0.286 -8.116) 10.909 3.973 ( 4.521 0.001 5.066) 6.789 4.450 ( 2.083 0.660 -7.233) 7.556 6.211 ( -6.671 0.112 1.517) 6.842 6.422 ( -3.783 -0.202 -2.656) 4.627 6.486 ( 0.591 -0.112 1.292) 1.425 6.609 ( -6.219 0.157 0.572) 6.247 6.694 ( -1.828 -0.575 -3.545) 4.030 6.749 ( -3.313 -0.848 -0.591) 3.471 6.784 ( -2.322 -0.091 2.883) 3.703 6.987 ( 2.103 0.078 1.207) 2.426 7.143 ( -0.917 1.958 -4.195) 4.720 7.205 ( -0.778 -1.371 -6.521) 6.709 7.411 ( 2.670 1.371 1.135) 3.208 7.573 ( -14.607 -4.817 -5.637) 16.381 8.073 ( 1.566 0.581 -2.627) 3.113 8.136 ( -0.577 -1.673 -2.494) 3.058 8.338 ( 4.190 0.774 1.971) 4.695 8.461 ( 8.940 1.428 -1.394) 9.160 8.982 ( 4.854 -2.817 24.488) 25.123 9.682 ( 3.162 -0.070 -0.150) 3.166 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 0.065 15.370 2.204) 15.527 1.025 ( -6.057 4.313 5.997) 9.553 1.219 ( -6.202 2.676 4.785) 8.278 1.451 ( -2.794 -1.332 4.257) 5.263 1.527 ( -4.685 -0.136 6.922) 8.360 1.572 ( -13.759 6.468 13.959) 20.639 1.667 ( -6.204 -5.934 0.966) 8.640 1.814 ( -0.666 -0.174 2.981) 3.060 2.195 ( -3.479 -3.417 -5.707) 7.506 2.238 ( -11.474 -1.885 -7.223) 13.688 2.329 ( 2.154 -3.894 -4.676) 6.455 2.611 ( -0.275 0.587 7.107) 7.136 2.767 ( -3.664 -0.415 7.603) 8.450 2.952 ( -2.064 0.195 -2.567) 3.300 3.129 ( -7.571 0.113 -2.570) 7.996 3.322 ( -1.868 -0.641 -9.534) 9.737 4.056 ( 3.989 -0.594 6.669) 7.793 4.486 ( 1.826 0.905 -6.042) 6.376 6.093 ( -4.989 0.104 1.416) 5.188 6.314 ( -7.375 -0.847 -5.535) 9.259 6.455 ( -4.621 -0.206 2.042) 5.056 6.558 ( 1.263 -0.354 2.501) 2.825 6.577 ( -5.435 -0.242 -0.110) 5.441 6.718 ( -1.555 -0.140 -0.547) 1.654 6.788 ( 0.449 -0.584 2.171) 2.293 6.924 ( -11.243 -0.677 -4.231) 12.032 7.107 ( -1.300 0.657 -4.896) 5.108 7.160 ( -2.991 -0.857 -3.560) 4.728 7.363 ( -2.972 -2.777 3.570) 5.412 7.483 ( 0.894 -0.417 -0.494) 1.103 8.090 ( 0.431 0.223 -2.266) 2.317 8.146 ( 0.399 -2.014 -2.911) 3.562 8.403 ( 2.937 1.803 2.400) 4.200 8.603 ( 6.372 3.826 -3.312) 8.137 9.101 ( 4.694 -6.582 26.435) 27.644 9.738 ( 2.301 -0.137 1.564) 2.786 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -0.000 14.215 11.767) 18.453 0.917 ( -0.000 11.569 12.432) 16.982 1.113 ( -0.000 4.412 -4.934) 6.619 1.365 ( -0.000 10.027 19.633) 22.045 1.437 ( -0.000 2.149 -2.064) 2.980 1.522 ( 0.000 -3.921 8.201) 9.091 1.632 ( 0.000 -7.537 1.521) 7.689 1.810 ( -0.000 0.209 4.566) 4.570 2.073 ( 0.000 -1.115 -11.211) 11.267 2.227 ( 0.000 -4.507 -3.449) 5.675 2.405 ( 0.000 -6.163 -7.625) 9.804 2.611 ( -0.000 0.314 4.952) 4.962 2.732 ( 0.000 -0.184 7.433) 7.436 2.933 ( -0.000 0.108 -3.604) 3.606 3.050 ( -0.000 0.110 -2.229) 2.231 3.311 ( 0.000 -0.878 -9.846) 9.885 4.114 ( 0.000 -2.256 7.615) 7.942 4.501 ( -0.000 1.007 -5.568) 5.659 6.040 ( -0.000 0.051 1.532) 1.533 6.203 ( -0.000 0.060 -2.751) 2.751 6.403 ( 0.000 -0.011 2.002) 2.002 6.506 ( -0.000 0.137 -0.861) 0.872 6.623 ( 0.000 -0.434 3.190) 3.219 6.696 ( -0.000 0.051 0.443) 0.446 6.732 ( -0.000 0.047 -0.391) 0.394 6.796 ( 0.000 -0.588 2.577) 2.644 7.095 ( 0.000 -0.157 -5.337) 5.339 7.144 ( 0.000 -0.739 1.937) 2.073 7.355 ( 0.000 -1.355 1.271) 1.858 7.496 ( 0.000 -0.137 -0.998) 1.008 8.094 ( 0.000 -0.535 -1.712) 1.794 8.161 ( 0.000 -1.953 -2.815) 3.426 8.422 ( -0.000 2.486 2.228) 3.338 8.643 ( -0.000 5.365 -3.809) 6.580 9.202 ( 0.000 -10.821 26.857) 28.955 9.763 ( 0.000 -0.299 2.414) 2.432 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -4.194 0.000 -0.452) 4.218 1.271 ( -6.203 0.000 -2.497) 6.687 1.345 ( 0.305 -0.000 5.082) 5.091 1.661 ( -6.432 0.000 -2.608) 6.940 1.766 ( -3.538 0.000 0.525) 3.577 1.831 ( -0.386 0.000 -0.778) 0.869 1.951 ( -15.371 0.000 17.299) 23.142 2.185 ( -10.206 0.000 0.512) 10.219 2.296 ( -2.658 0.000 -1.110) 2.881 2.526 ( -7.156 0.000 8.592) 11.182 2.656 ( -4.229 0.000 -6.570) 7.813 2.845 ( -13.276 0.000 4.326) 13.963 3.000 ( -5.896 0.000 -1.229) 6.023 3.132 ( -5.552 0.000 3.219) 6.417 3.589 ( -13.474 0.000 -3.481) 13.917 3.627 ( -16.162 0.000 -4.775) 16.852 3.886 ( 3.954 -0.000 5.116) 6.466 4.421 ( 1.265 -0.000 -8.650) 8.742 6.331 ( -5.317 0.000 1.629) 5.561 6.423 ( 1.726 -0.000 -0.467) 1.788 6.523 ( -2.762 0.000 1.825) 3.310 6.640 ( 3.603 -0.000 -3.790) 5.229 6.733 ( -3.925 0.000 -3.240) 5.090 6.758 ( -0.402 0.000 1.233) 1.297 6.914 ( -6.733 0.000 -1.130) 6.827 6.918 ( 4.106 -0.000 1.919) 4.533 7.157 ( -0.243 0.000 -1.855) 1.871 7.210 ( -1.104 0.000 -2.027) 2.308 7.341 ( 4.945 -0.000 2.778) 5.672 7.806 ( -10.479 0.000 -12.262) 16.130 8.047 ( 1.088 -0.000 -1.422) 1.790 8.143 ( -0.867 0.000 -2.776) 2.908 8.266 ( 3.220 -0.000 0.744) 3.305 8.306 ( 6.753 -0.000 0.749) 6.794 8.882 ( 3.754 -0.000 22.269) 22.583 9.623 ( 2.816 -0.000 -1.918) 3.407 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 2.156 3.270 -3.193) 5.053 1.148 ( -6.402 -0.763 -2.843) 7.047 1.358 ( 1.325 3.285 5.364) 6.428 1.516 ( -8.392 -0.882 8.530) 11.999 1.675 ( -7.657 -3.999 4.358) 9.676 1.681 ( -11.829 -0.379 12.284) 17.058 1.821 ( -0.738 -0.409 -0.650) 1.065 1.962 ( -12.221 2.024 1.987) 12.546 2.233 ( -5.012 -0.456 -0.905) 5.113 2.351 ( -8.570 -0.221 4.040) 9.477 2.505 ( -12.351 -0.333 -10.441) 16.176 2.657 ( -4.917 0.304 6.322) 8.015 2.867 ( -7.168 -0.163 5.663) 9.136 3.022 ( -4.966 0.071 0.709) 5.017 3.327 ( -12.438 0.113 -2.840) 12.758 3.397 ( -7.369 -0.103 -8.144) 10.984 3.973 ( 4.472 0.001 5.104) 6.786 4.455 ( 2.133 0.236 -7.163) 7.478 6.212 ( -6.650 0.044 1.431) 6.803 6.421 ( -3.833 -0.083 -2.802) 4.749 6.485 ( 0.524 -0.037 1.181) 1.293 6.611 ( -7.103 0.158 1.049) 7.182 6.689 ( -0.775 -0.309 -3.710) 3.802 6.743 ( -3.105 -0.320 -0.478) 3.158 6.783 ( -2.844 -0.029 2.824) 4.008 6.987 ( 2.083 0.031 1.084) 2.348 7.163 ( -1.722 1.840 -4.225) 4.919 7.189 ( 0.294 -1.668 -6.943) 7.146 7.425 ( 3.355 1.037 0.964) 3.642 7.535 ( -16.266 -2.230 -3.526) 16.792 8.079 ( 1.965 0.442 -3.331) 3.893 8.123 ( -1.088 -0.782 -2.268) 2.635 8.343 ( 4.477 0.266 2.181) 4.987 8.470 ( 9.610 0.486 -1.258) 9.704 8.963 ( 4.235 -0.956 24.164) 24.551 9.682 ( 3.162 -0.027 -0.154) 3.165 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -4.404 0.178 1.129) 4.550 1.147 ( 2.532 11.973 -1.935) 12.389 1.275 ( -7.519 7.704 11.633) 15.850 1.422 ( -4.113 -3.854 13.826) 14.931 1.503 ( -5.185 -5.948 4.242) 8.959 1.544 ( -6.412 -4.862 7.225) 10.814 1.709 ( -9.470 7.994 3.707) 12.935 1.815 ( -0.220 0.301 0.986) 1.054 2.154 ( -2.033 -3.996 -0.760) 4.547 2.224 ( -14.195 -0.837 -10.505) 17.679 2.295 ( 0.385 -2.479 -6.660) 7.117 2.615 ( -0.458 0.268 7.765) 7.783 2.764 ( -3.536 -0.227 7.761) 8.532 2.954 ( -2.142 0.082 -2.412) 3.226 3.130 ( -7.641 0.062 -2.559) 8.059 3.316 ( -1.983 -0.371 -9.621) 9.831 4.052 ( 3.524 -0.301 6.671) 7.550 4.493 ( 1.820 0.499 -5.855) 6.152 6.094 ( -5.044 0.055 1.365) 5.226 6.307 ( -7.484 -0.481 -5.255) 9.158 6.453 ( -4.642 -0.094 2.276) 5.171 6.555 ( 2.340 -0.198 3.135) 3.917 6.575 ( -6.238 -0.068 -0.685) 6.276 6.717 ( -1.332 -0.111 -0.665) 1.493 6.783 ( 0.458 -0.352 1.940) 2.025 6.918 ( -11.526 -0.370 -4.070) 12.229 7.114 ( -1.854 0.587 -4.666) 5.055 7.153 ( -2.787 -0.502 -3.299) 4.347 7.340 ( -1.931 -1.561 4.219) 4.895 7.480 ( 1.488 -0.186 0.098) 1.503 8.095 ( 0.007 0.741 -2.475) 2.584 8.127 ( 0.783 -1.544 -3.640) 4.031 8.418 ( 3.171 0.959 2.903) 4.405 8.634 ( 7.060 2.111 -3.517) 8.166 9.049 ( 3.406 -3.388 26.040) 26.479 9.737 ( 2.250 -0.083 1.509) 2.711 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -0.000 3.814 8.357) 9.186 1.041 ( -0.000 12.129 10.747) 16.205 1.162 ( -0.000 6.648 1.589) 6.836 1.416 ( 0.000 -3.923 19.466) 19.857 1.457 ( -0.000 1.543 -0.905) 1.789 1.547 ( -0.000 10.778 7.101) 12.906 1.552 ( 0.000 -7.865 1.268) 7.966 1.815 ( -0.000 0.681 2.624) 2.711 2.063 ( 0.000 -0.840 -12.178) 12.207 2.176 ( 0.000 -5.316 -3.617) 6.430 2.339 ( 0.000 -6.145 -8.571) 10.546 2.613 ( -0.000 0.124 7.058) 7.059 2.730 ( 0.000 -0.129 7.588) 7.589 2.934 ( -0.000 0.045 -3.355) 3.355 3.051 ( -0.000 0.077 -2.225) 2.226 3.303 ( 0.000 -0.662 -9.920) 9.942 4.096 ( 0.000 -1.239 7.727) 7.826 4.509 ( -0.000 0.691 -5.336) 5.380 6.040 ( -0.000 0.036 1.535) 1.535 6.203 ( -0.000 0.043 -2.757) 2.758 6.403 ( 0.000 -0.007 2.032) 2.032 6.507 ( -0.000 0.096 -0.869) 0.874 6.620 ( 0.000 -0.230 2.862) 2.872 6.697 ( -0.000 0.036 0.444) 0.445 6.732 ( -0.000 0.033 -0.388) 0.390 6.790 ( 0.000 -0.491 2.166) 2.221 7.095 ( -0.000 0.162 -5.159) 5.161 7.139 ( 0.000 -0.399 2.132) 2.169 7.342 ( 0.000 -1.183 0.471) 1.274 7.495 ( 0.000 -0.029 -0.276) 0.278 8.093 ( -0.000 0.071 -2.060) 2.061 8.144 ( 0.000 -1.366 -3.864) 4.098 8.443 ( -0.000 1.627 2.947) 3.366 8.690 ( -0.000 3.762 -4.223) 5.655 9.113 ( 0.000 -6.514 26.592) 27.378 9.761 ( 0.000 -0.190 2.263) 2.271 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -3.966 0.000 0.131) 3.969 1.218 ( 5.468 -0.000 -6.657) 8.615 1.340 ( -10.454 0.000 18.829) 21.536 1.404 ( -12.859 0.000 16.394) 20.835 1.425 ( 3.439 -0.000 3.358) 4.807 1.530 ( -5.451 0.000 4.859) 7.302 1.755 ( -8.330 0.000 2.586) 8.722 1.818 ( -0.286 0.000 0.383) 0.478 2.130 ( -2.556 0.000 1.403) 2.916 2.220 ( -14.502 0.000 -11.282) 18.373 2.282 ( -0.383 0.000 -7.555) 7.565 2.616 ( -0.520 0.000 8.005) 8.022 2.763 ( -3.487 0.000 7.812) 8.554 2.954 ( -2.167 0.000 -2.359) 3.204 3.130 ( -7.666 0.000 -2.553) 8.080 3.314 ( -2.027 0.000 -9.654) 9.865 4.050 ( 3.374 -0.000 6.670) 7.474 4.496 ( 1.817 -0.000 -5.791) 6.069 6.094 ( -5.066 0.000 1.347) 5.242 6.304 ( -7.500 0.000 -5.147) 9.096 6.453 ( -4.647 0.000 2.351) 5.207 6.554 ( 2.597 -0.000 3.290) 4.191 6.575 ( -6.406 0.000 -0.825) 6.459 6.716 ( -1.239 0.000 -0.706) 1.426 6.781 ( 0.460 -0.000 1.857) 1.913 6.916 ( -11.612 0.000 -4.011) 12.285 7.117 ( -2.104 0.000 -4.485) 4.953 7.150 ( -2.646 0.000 -3.418) 4.323 7.332 ( -1.562 0.000 4.472) 4.737 7.479 ( 1.665 -0.000 0.274) 1.688 8.101 ( -0.715 0.000 -1.879) 2.010 8.117 ( 1.492 -0.000 -4.530) 4.770 8.423 ( 3.254 -0.000 3.075) 4.477 8.645 ( 7.345 -0.000 -3.637) 8.196 9.032 ( 2.956 -0.000 25.948) 26.116 9.736 ( 2.234 -0.000 1.490) 2.685 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.000 0.128 3.865) 3.867 1.139 ( -0.000 5.837 10.937) 12.397 1.247 ( -0.000 8.933 5.852) 10.679 1.346 ( 0.000 -8.111 21.575) 23.050 1.466 ( -0.000 0.103 -0.171) 0.200 1.485 ( 0.000 -3.916 0.450) 3.942 1.651 ( -0.000 6.515 4.893) 8.148 1.822 ( -0.000 0.593 1.871) 1.963 2.057 ( 0.000 -0.315 -12.772) 12.776 2.126 ( 0.000 -3.512 -2.070) 4.076 2.293 ( 0.000 -2.482 -9.454) 9.775 2.614 ( -0.000 0.049 8.018) 8.018 2.730 ( 0.000 -0.047 7.676) 7.676 2.934 ( -0.000 0.010 -3.232) 3.232 3.052 ( -0.000 0.028 -2.222) 2.223 3.298 ( 0.000 -0.245 -9.972) 9.975 4.088 ( 0.000 -0.391 7.702) 7.712 4.514 ( -0.000 0.245 -5.216) 5.222 6.040 ( -0.000 0.013 1.536) 1.536 6.203 ( -0.000 0.015 -2.761) 2.761 6.403 ( 0.000 -0.002 2.049) 2.049 6.508 ( -0.000 0.035 -0.873) 0.873 6.618 ( 0.000 -0.069 2.719) 2.720 6.697 ( -0.000 0.013 0.444) 0.444 6.733 ( -0.000 0.012 -0.387) 0.387 6.787 ( 0.000 -0.186 1.906) 1.915 7.097 ( -0.000 0.113 -5.020) 5.021 7.136 ( 0.000 -0.134 1.973) 1.977 7.333 ( 0.000 -0.468 0.204) 0.511 7.495 ( 0.000 -0.000 0.066) 0.066 8.094 ( -0.000 0.124 -1.833) 1.837 8.134 ( 0.000 -0.526 -4.730) 4.759 8.454 ( -0.000 0.568 3.318) 3.366 8.717 ( -0.000 1.424 -4.778) 4.985 9.068 ( 0.000 -2.258 26.712) 26.807 9.759 ( 0.000 -0.066 2.189) 2.190 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 0.000 16.605) 16.605 0.878 ( 0.000 0.000 19.469) 19.469 0.914 ( 0.000 0.000 -13.887) 13.887 1.197 ( 0.000 0.000 -12.900) 12.900 1.424 ( 0.000 0.000 10.055) 10.055 1.563 ( 0.000 0.000 -5.000) 5.000 1.844 ( 0.000 0.000 3.502) 3.502 1.944 ( 0.000 0.000 -7.018) 7.018 2.280 ( 0.000 0.000 26.097) 26.097 2.419 ( 0.000 0.000 6.863) 6.863 2.429 ( 0.000 0.000 -1.662) 1.662 2.745 ( 0.000 0.000 11.210) 11.210 2.764 ( 0.000 0.000 -13.369) 13.369 2.873 ( 0.000 0.000 6.515) 6.515 2.981 ( 0.000 0.000 -4.496) 4.496 3.043 ( 0.000 0.000 -18.872) 18.872 4.257 ( 0.000 0.000 1.918) 1.918 4.330 ( 0.000 0.000 -5.861) 5.861 6.080 ( 0.000 0.000 2.733) 2.733 6.140 ( 0.000 0.000 -3.289) 3.289 6.443 ( 0.000 0.000 2.011) 2.011 6.478 ( 0.000 0.000 -1.543) 1.543 6.706 ( 0.000 0.000 0.691) 0.691 6.720 ( 0.000 0.000 -0.667) 0.667 6.786 ( 0.000 0.000 8.537) 8.537 6.866 ( 0.000 0.000 2.898) 2.898 7.020 ( 0.000 0.000 -5.318) 5.318 7.030 ( 0.000 0.000 -8.378) 8.378 7.431 ( 0.000 0.000 2.316) 2.316 7.467 ( 0.000 0.000 -1.716) 1.716 8.253 ( 0.000 0.000 0.334) 0.334 8.262 ( 0.000 0.000 -0.593) 0.593 8.306 ( 0.000 0.000 3.197) 3.197 8.362 ( 0.000 0.000 -2.479) 2.479 9.801 ( 0.000 0.000 2.677) 2.677 9.850 ( 0.000 0.000 -2.145) 2.145 ======================= Grid point 351 (100/147) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 10.324 -2.096 14.181) 17.666 0.968 ( 7.511 -0.575 -4.436) 8.743 1.065 ( 12.794 -1.909 5.516) 14.063 1.278 ( 6.632 -1.028 -10.034) 12.072 1.478 ( 5.002 -1.039 6.353) 8.152 1.566 ( 0.848 -0.686 -2.997) 3.190 1.939 ( 9.580 1.018 4.807) 10.767 2.069 ( 11.769 0.682 -8.569) 14.574 2.306 ( 2.763 1.680 19.722) 19.985 2.395 ( -1.649 3.069 1.803) 3.923 2.423 ( 0.539 -1.894 9.670) 9.869 2.744 ( 0.167 -0.212 11.147) 11.151 2.776 ( 1.800 -0.494 -10.621) 10.784 2.942 ( 6.129 0.007 4.657) 7.697 3.055 ( 7.145 -0.014 -4.568) 8.481 3.062 ( 2.491 0.133 -18.170) 18.340 4.187 ( -5.635 -0.026 4.594) 7.271 4.297 ( -3.077 -0.378 -7.120) 7.766 6.138 ( 5.500 0.011 3.454) 6.494 6.224 ( 6.863 0.086 -5.460) 8.770 6.493 ( 3.906 -0.025 1.890) 4.339 6.533 ( 4.708 -0.079 -1.988) 5.111 6.687 ( -1.615 0.450 3.862) 4.210 6.724 ( 1.482 0.114 -0.142) 1.493 6.859 ( -0.333 0.219 3.656) 3.678 6.904 ( 9.145 0.167 -0.598) 9.166 7.005 ( -0.905 0.373 -3.702) 3.829 7.052 ( 2.139 -0.517 -6.954) 7.294 7.441 ( 1.191 -0.178 -0.289) 1.239 7.451 ( -1.645 -0.057 -1.051) 1.953 8.214 ( -2.701 3.057 0.875) 4.172 8.234 ( -1.901 2.554 -1.126) 3.377 8.311 ( -0.624 -3.057 2.526) 4.014 8.355 ( -1.408 -2.825 -1.908) 3.689 9.730 ( -9.586 2.245 4.108) 10.668 9.757 ( -4.711 -0.213 0.472) 4.739 ======================= Grid point 352 (101/147) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 15.343 -0.165 10.126) 18.384 1.144 ( 9.643 0.402 -2.500) 9.970 1.305 ( 10.046 -0.970 -0.069) 10.093 1.394 ( 3.874 -1.106 -5.822) 7.080 1.610 ( 7.892 -1.801 1.579) 8.248 1.642 ( 6.381 -3.387 -1.435) 7.365 2.138 ( 9.965 2.224 8.123) 13.048 2.269 ( 2.960 4.435 -2.411) 5.852 2.326 ( -0.428 -0.139 0.225) 0.503 2.359 ( 5.541 1.965 -3.910) 7.060 2.581 ( 14.692 -1.971 23.611) 27.878 2.760 ( 1.378 -0.221 10.231) 10.326 2.848 ( 4.884 -0.645 -6.034) 7.790 3.056 ( 5.021 0.210 -5.585) 7.513 3.191 ( 12.328 -0.025 -8.001) 14.697 3.239 ( 11.612 -0.123 -4.542) 12.469 4.086 ( -4.552 -0.200 6.667) 8.075 4.238 ( -2.860 -0.530 -9.062) 9.517 6.267 ( 7.314 0.103 4.100) 8.385 6.359 ( 6.825 0.201 -4.966) 8.443 6.539 ( 0.083 0.082 2.893) 2.895 6.604 ( 1.292 0.095 -3.540) 3.770 6.677 ( 1.156 0.288 3.244) 3.456 6.751 ( 1.668 0.496 -3.205) 3.647 6.853 ( -0.092 -0.373 4.946) 4.961 6.960 ( -2.332 -0.248 -5.123) 5.635 7.081 ( 6.563 0.641 1.182) 6.699 7.127 ( 5.406 0.161 -3.159) 6.263 7.407 ( -2.648 -0.314 1.450) 3.036 7.488 ( 3.583 -0.389 -7.760) 8.556 8.136 ( -3.756 1.771 1.455) 4.401 8.172 ( -3.196 1.563 -2.246) 4.208 8.311 ( -0.575 -1.482 1.882) 2.463 8.339 ( -1.342 -1.723 -1.032) 2.415 9.518 ( -10.012 1.784 11.338) 15.230 9.654 ( -5.665 0.295 -3.504) 6.668 ======================= Grid point 353 (102/147) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 10.867 2.956 4.578) 12.157 1.300 ( 7.899 0.114 2.181) 8.195 1.414 ( 3.243 1.564 0.923) 3.717 1.520 ( 9.641 -0.261 -7.749) 12.372 1.793 ( 8.824 -2.555 0.529) 9.202 1.806 ( 7.720 -2.810 -0.882) 8.263 2.217 ( -0.773 3.007 2.161) 3.782 2.227 ( -2.087 2.587 0.348) 3.342 2.367 ( 7.362 -0.837 7.758) 10.728 2.514 ( 6.815 -0.165 -7.473) 10.115 2.788 ( 2.551 0.181 13.748) 13.984 2.914 ( 14.784 -0.866 11.386) 18.680 2.942 ( 5.017 -0.517 -3.184) 5.965 3.155 ( 5.333 0.047 -4.442) 6.941 3.492 ( 13.696 -0.401 -2.917) 14.009 3.507 ( 18.864 -0.126 -6.004) 19.797 4.017 ( -2.353 0.002 7.999) 8.338 4.199 ( -1.434 -0.277 -10.539) 10.639 6.396 ( 5.553 0.353 3.712) 6.689 6.448 ( 0.527 0.517 -0.533) 0.910 6.534 ( 2.112 0.129 0.590) 2.197 6.581 ( -2.369 0.392 -3.743) 4.447 6.702 ( 0.461 -0.387 1.869) 1.963 6.772 ( 0.103 0.040 -3.265) 3.267 6.865 ( 0.925 -0.598 1.124) 1.574 6.909 ( -2.827 -0.259 -2.038) 3.494 7.166 ( 3.365 0.792 1.926) 3.957 7.214 ( 2.382 0.663 -2.446) 3.478 7.376 ( 0.084 -0.948 7.399) 7.460 7.572 ( 4.356 -0.338 -12.785) 13.511 8.066 ( -2.674 0.314 1.494) 3.080 8.106 ( -2.947 0.267 -2.566) 3.917 8.306 ( -0.270 0.267 1.265) 1.321 8.323 ( -0.771 0.236 -0.552) 0.977 9.344 ( -7.283 1.218 14.649) 16.405 9.549 ( -4.818 0.338 -6.820) 8.357 ======================= Grid point 354 (103/147) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 1.180 0.495 2.455) 2.769 1.377 ( 0.349 0.898 -2.356) 2.546 1.584 ( 12.684 3.661 6.159) 14.568 1.710 ( 9.949 2.307 -6.492) 12.102 1.919 ( 3.275 2.168 0.079) 3.928 1.922 ( 2.720 2.361 -0.174) 3.606 2.196 ( 0.312 -3.207 1.111) 3.408 2.213 ( 0.862 -3.128 -0.575) 3.295 2.531 ( 8.297 -0.302 5.388) 9.898 2.617 ( 4.047 -0.413 -3.933) 5.659 2.846 ( 4.153 0.211 12.337) 13.019 3.016 ( 4.231 0.022 -5.649) 7.058 3.170 ( 9.861 -0.506 7.155) 12.194 3.246 ( 3.746 -0.154 -0.086) 3.750 3.696 ( 4.737 -0.281 4.508) 6.545 3.854 ( 15.491 0.062 -8.857) 17.844 4.035 ( 5.837 0.147 6.177) 8.500 4.190 ( 0.842 0.120 -10.191) 10.226 6.404 ( -2.922 0.538 1.344) 3.261 6.436 ( -1.372 0.950 -0.966) 1.928 6.567 ( 1.829 -0.110 1.377) 2.293 6.608 ( 3.782 -0.188 0.707) 3.853 6.678 ( -3.095 -0.489 0.703) 3.211 6.754 ( -1.816 -0.302 -3.670) 4.105 6.861 ( -2.042 -0.100 0.460) 2.096 6.882 ( 0.343 -0.392 -2.437) 2.492 7.211 ( -1.059 0.487 0.267) 1.196 7.226 ( 3.486 0.727 -1.220) 3.764 7.420 ( 2.814 -0.591 10.098) 10.499 7.645 ( 2.888 -0.324 -13.091) 13.410 8.036 ( -0.454 -0.382 0.912) 1.088 8.064 ( -1.277 -0.451 -1.990) 2.407 8.296 ( -0.350 1.266 0.693) 1.485 8.304 ( -0.810 1.355 -0.167) 1.588 9.223 ( -4.869 0.720 16.151) 16.885 9.468 ( -3.430 0.300 -9.000) 9.636 ======================= Grid point 355 (104/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.175 -0.021 1.556) 1.566 1.368 ( -0.744 0.000 -1.495) 1.669 1.773 ( 8.348 5.234 5.200) 11.141 1.852 ( 4.244 1.609 -2.250) 5.066 1.897 ( -1.369 3.398 0.676) 3.725 1.931 ( 2.419 5.074 -3.256) 6.496 2.245 ( 1.087 -5.250 1.259) 5.507 2.266 ( 1.297 -4.594 -0.666) 4.820 2.663 ( 4.810 -0.525 1.057) 4.953 2.683 ( 2.660 -0.658 -1.043) 2.932 2.961 ( 7.788 0.147 11.237) 13.672 3.107 ( 5.164 -0.016 -4.674) 6.965 3.292 ( 0.870 -0.218 1.776) 1.990 3.304 ( 3.724 -0.279 1.398) 3.988 3.688 ( -3.186 0.330 14.288) 14.643 4.040 ( 3.777 0.528 -18.033) 18.432 4.199 ( 8.573 0.013 3.147) 9.133 4.261 ( 6.495 0.050 -3.668) 7.459 6.357 ( -1.587 0.199 0.795) 1.786 6.392 ( -1.750 0.701 -2.532) 3.157 6.590 ( -3.144 -0.196 3.380) 4.621 6.599 ( -1.721 -0.329 2.687) 3.207 6.681 ( 3.093 -0.068 -0.311) 3.109 6.725 ( -0.573 -0.311 -4.145) 4.196 6.828 ( -1.603 0.033 0.915) 1.846 6.881 ( -0.504 0.047 -4.290) 4.320 7.200 ( 0.253 0.065 4.654) 4.661 7.292 ( 3.466 0.475 -4.522) 5.717 7.464 ( 1.498 -0.210 10.123) 10.235 7.686 ( 1.320 -0.277 -12.668) 12.740 8.045 ( 0.928 -0.475 0.205) 1.062 8.059 ( 0.229 -0.651 -1.189) 1.375 8.275 ( -1.126 1.591 0.624) 2.047 8.282 ( -0.631 1.275 0.008) 1.423 9.145 ( -2.947 0.326 17.037) 17.293 9.414 ( -2.101 0.198 -10.296) 10.510 ======================= Grid point 356 (105/147) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.330 -0.101 0.589) 0.683 1.354 ( -0.717 -0.137 -0.542) 0.910 1.801 ( -0.649 2.732 4.916) 5.662 1.858 ( -0.495 0.933 -1.269) 1.651 1.915 ( 2.613 1.046 2.255) 3.607 1.991 ( 3.121 2.069 -4.775) 6.068 2.270 ( -0.321 -2.257 1.301) 2.625 2.290 ( -0.169 -1.809 -0.440) 1.870 2.722 ( 1.281 -0.372 0.198) 1.348 2.727 ( 1.335 -0.351 -0.289) 1.410 3.113 ( 6.425 0.015 8.034) 10.287 3.205 ( 4.632 -0.020 -2.277) 5.162 3.278 ( -2.288 -0.118 1.454) 2.713 3.319 ( -1.656 -0.129 -2.224) 2.776 3.631 ( -1.745 0.268 20.111) 20.189 4.063 ( 0.184 0.312 -21.396) 21.399 4.316 ( 3.159 0.023 2.947) 4.320 4.366 ( 3.136 0.010 -2.108) 3.778 6.342 ( -0.085 -0.027 0.442) 0.451 6.371 ( -0.295 0.250 -2.347) 2.379 6.518 ( -2.438 0.029 3.356) 4.149 6.571 ( -1.436 -0.160 -1.168) 1.857 6.733 ( 1.618 -0.090 2.819) 3.252 6.738 ( 1.423 -0.128 -0.111) 1.433 6.796 ( -1.548 0.119 -1.399) 2.090 6.866 ( -0.744 0.118 -6.069) 6.116 7.212 ( 0.599 -0.057 7.044) 7.070 7.342 ( 1.551 0.133 -6.096) 6.291 7.482 ( 0.359 -0.051 10.080) 10.087 7.703 ( 0.397 -0.130 -12.744) 12.751 8.064 ( 0.543 -0.198 -0.224) 0.620 8.070 ( 0.408 -0.345 -0.780) 0.945 8.248 ( -0.722 0.742 1.449) 1.781 8.267 ( -0.338 0.560 -0.454) 0.796 9.106 ( -1.028 0.083 17.546) 17.577 9.385 ( -0.729 0.067 -10.909) 10.934 ======================= Grid point 364 (106/147) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 16.204 -0.000 10.508) 19.313 1.145 ( 9.746 -0.000 -1.626) 9.881 1.300 ( 11.361 -0.000 -0.890) 11.396 1.388 ( 3.777 -0.000 -6.013) 7.101 1.603 ( 8.018 -0.000 0.670) 8.046 1.622 ( 5.873 -0.000 -0.689) 5.913 2.150 ( 10.142 -0.000 8.426) 13.185 2.299 ( 6.200 -0.000 -6.068) 8.675 2.317 ( -2.058 0.000 3.135) 3.750 2.372 ( 2.284 -0.000 -4.597) 5.133 2.570 ( 15.373 -0.000 24.839) 29.211 2.758 ( 1.415 -0.000 10.532) 10.627 2.844 ( 5.006 -0.000 -6.261) 8.016 3.057 ( 5.010 -0.000 -5.452) 7.404 3.191 ( 12.271 -0.000 -8.180) 14.748 3.239 ( 11.575 -0.000 -4.523) 12.428 4.085 ( -4.524 0.000 6.570) 7.977 4.235 ( -2.782 0.000 -9.011) 9.430 6.267 ( 7.338 -0.000 4.138) 8.424 6.360 ( 6.823 -0.000 -4.965) 8.438 6.540 ( 0.186 -0.000 2.852) 2.858 6.605 ( 1.449 -0.000 -3.715) 3.988 6.678 ( 0.875 -0.000 3.442) 3.552 6.754 ( 1.588 -0.000 -3.180) 3.554 6.851 ( -0.170 0.000 4.967) 4.970 6.959 ( -2.394 0.000 -5.178) 5.705 7.085 ( 6.699 -0.000 1.132) 6.794 7.128 ( 5.381 -0.000 -2.886) 6.106 7.406 ( -2.751 0.000 1.250) 3.022 7.486 ( 3.626 -0.000 -7.975) 8.761 8.146 ( -4.480 0.000 1.372) 4.686 8.181 ( -3.843 0.000 -2.228) 4.442 8.303 ( 0.191 -0.000 1.867) 1.877 8.330 ( -0.539 0.000 -0.932) 1.077 9.528 ( -10.385 0.000 10.815) 14.994 9.655 ( -5.668 0.000 -3.256) 6.537 ======================= Grid point 365 (107/147) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 8.146 1.636 4.163) 9.293 1.297 ( 10.912 -0.540 4.052) 11.653 1.427 ( 2.559 0.776 -0.365) 2.699 1.520 ( 11.641 0.081 -7.711) 13.964 1.775 ( 9.337 -0.687 0.046) 9.363 1.781 ( 8.848 -1.755 -0.580) 9.039 2.235 ( -2.507 0.812 2.369) 3.544 2.254 ( -4.045 1.802 -0.322) 4.440 2.358 ( 8.223 -0.694 8.277) 11.688 2.512 ( 6.710 -0.090 -7.870) 10.343 2.789 ( 2.544 0.063 13.772) 14.005 2.907 ( 16.117 -0.351 13.415) 20.973 2.938 ( 4.352 -0.187 -4.567) 6.312 3.155 ( 5.240 0.019 -4.502) 6.909 3.489 ( 13.634 -0.143 -2.869) 13.933 3.506 ( 18.891 -0.046 -6.184) 19.878 4.017 ( -2.231 0.001 7.940) 8.248 4.197 ( -1.252 -0.100 -10.424) 10.499 6.399 ( 5.693 0.128 3.814) 6.854 6.452 ( 0.662 0.181 -0.481) 0.838 6.535 ( 1.956 0.048 0.702) 2.079 6.584 ( -2.497 0.160 -3.965) 4.688 6.699 ( 0.324 -0.152 1.953) 1.986 6.773 ( -0.071 0.018 -3.475) 3.476 6.860 ( 0.990 -0.222 1.268) 1.624 6.907 ( -2.755 -0.100 -2.096) 3.463 7.172 ( 3.244 0.324 1.874) 3.761 7.219 ( 2.531 0.216 -2.194) 3.356 7.369 ( 0.033 -0.347 7.433) 7.441 7.569 ( 4.404 -0.135 -13.102) 13.823 8.068 ( -3.110 0.115 1.474) 3.443 8.108 ( -3.341 0.093 -2.551) 4.205 8.308 ( 0.222 0.098 1.249) 1.272 8.325 ( -0.191 0.086 -0.556) 0.594 9.353 ( -7.604 0.450 14.246) 16.154 9.552 ( -4.852 0.122 -6.606) 8.197 ======================= Grid point 366 (108/147) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.867 0.174 2.686) 2.828 1.384 ( -0.283 0.438 -2.501) 2.555 1.617 ( 13.347 2.484 5.596) 14.684 1.731 ( 10.075 1.586 -5.835) 11.750 1.936 ( 5.965 1.134 0.136) 6.073 1.939 ( 6.184 0.979 -0.145) 6.262 2.170 ( -3.369 -1.610 0.815) 3.822 2.186 ( -1.583 -1.935 -0.620) 2.576 2.528 ( 8.331 -0.251 5.301) 9.878 2.614 ( 3.950 -0.293 -3.990) 5.622 2.848 ( 4.135 0.116 12.367) 13.040 3.016 ( 4.236 0.012 -5.597) 7.019 3.166 ( 10.094 -0.292 7.454) 12.551 3.245 ( 3.692 -0.086 -0.116) 3.694 3.694 ( 5.040 -0.153 4.619) 6.838 3.854 ( 15.643 0.037 -8.969) 18.032 4.037 ( 5.742 0.081 6.277) 8.507 4.191 ( 0.934 0.067 -10.062) 10.106 6.409 ( -3.071 0.306 1.531) 3.445 6.444 ( -1.367 0.567 -1.021) 1.798 6.567 ( 1.671 -0.061 1.327) 2.135 6.606 ( 3.681 -0.124 1.075) 3.837 6.674 ( -2.874 -0.280 0.362) 2.910 6.752 ( -1.916 -0.185 -3.951) 4.395 6.861 ( -1.982 -0.048 0.458) 2.035 6.879 ( 0.567 -0.223 -2.180) 2.264 7.214 ( -1.296 0.270 0.353) 1.370 7.232 ( 3.381 0.423 -1.366) 3.671 7.415 ( 3.088 -0.354 10.239) 10.700 7.642 ( 2.927 -0.180 -13.201) 13.523 8.033 ( -0.547 -0.183 0.862) 1.037 8.061 ( -1.418 -0.225 -1.982) 2.447 8.306 ( -0.215 0.677 0.742) 1.027 8.315 ( -0.684 0.735 -0.230) 1.030 9.229 ( -5.113 0.416 15.940) 16.745 9.471 ( -3.482 0.172 -8.868) 9.529 ======================= Grid point 367 (109/147) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.041 -0.010 1.574) 1.575 1.368 ( -0.950 0.004 -1.500) 1.775 1.816 ( 8.167 3.019 3.521) 9.392 1.866 ( 3.617 1.000 -1.528) 4.052 1.942 ( -2.419 5.297 1.471) 6.007 1.985 ( 2.348 5.192 -2.744) 6.325 2.187 ( 1.853 -5.890 1.441) 6.341 2.217 ( 1.959 -4.745 -1.345) 5.306 2.658 ( 4.794 -0.339 0.983) 4.905 2.677 ( 2.617 -0.530 -0.957) 2.836 2.962 ( 7.719 0.103 11.169) 13.577 3.107 ( 5.140 -0.011 -4.640) 6.925 3.290 ( 0.865 -0.152 1.744) 1.953 3.301 ( 3.802 -0.205 1.446) 4.073 3.691 ( -3.048 0.237 14.563) 14.880 4.045 ( 3.867 0.375 -17.939) 18.355 4.199 ( 8.576 0.006 3.204) 9.155 4.261 ( 6.427 0.033 -3.638) 7.385 6.358 ( -1.769 0.132 0.990) 2.031 6.398 ( -1.969 0.521 -2.793) 3.457 6.588 ( -3.254 -0.043 3.520) 4.794 6.596 ( -1.360 -0.318 2.755) 3.088 6.681 ( 3.030 -0.023 -0.514) 3.073 6.722 ( -0.456 -0.258 -4.190) 4.222 6.828 ( -1.545 0.025 1.003) 1.842 6.882 ( -0.369 0.024 -4.197) 4.213 7.200 ( 0.104 0.043 4.847) 4.849 7.296 ( 3.274 0.332 -4.701) 5.739 7.462 ( 1.619 -0.157 10.110) 10.240 7.684 ( 1.371 -0.185 -12.631) 12.707 8.042 ( 1.026 -0.263 0.101) 1.064 8.054 ( 0.278 -0.425 -1.134) 1.243 8.289 ( -1.357 1.075 0.489) 1.799 8.293 ( -0.855 0.840 0.141) 1.206 9.148 ( -3.109 0.238 16.979) 17.263 9.415 ( -2.166 0.143 -10.237) 10.465 ======================= Grid point 368 (110/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.418 -0.072 0.566) 0.707 1.352 ( -0.653 -0.111 -0.527) 0.847 1.831 ( -3.077 2.951 3.653) 5.614 1.868 ( -1.153 0.920 -0.771) 1.664 1.925 ( 1.351 0.770 3.040) 3.415 2.010 ( 0.644 1.497 -4.656) 4.933 2.247 ( 2.192 -1.961 1.331) 3.228 2.271 ( 1.721 -1.918 -0.678) 2.665 2.718 ( 1.568 -0.274 0.206) 1.605 2.723 ( 1.696 -0.277 -0.284) 1.742 3.113 ( 6.392 0.013 7.992) 10.234 3.205 ( 4.666 -0.018 -2.285) 5.195 3.277 ( -2.207 -0.106 1.450) 2.643 3.318 ( -1.542 -0.116 -2.215) 2.701 3.633 ( -1.973 0.212 20.238) 20.335 4.066 ( -0.098 0.253 -21.337) 21.339 4.316 ( 3.145 0.017 2.956) 4.316 4.366 ( 3.131 0.013 -2.091) 3.765 6.342 ( -0.117 -0.053 0.572) 0.586 6.374 ( -0.528 0.234 -2.504) 2.569 6.518 ( -2.413 0.047 3.300) 4.088 6.569 ( -1.301 -0.135 -1.076) 1.694 6.732 ( 1.789 -0.065 2.875) 3.387 6.737 ( 1.365 -0.113 -0.319) 1.406 6.797 ( -1.543 0.113 -1.257) 1.993 6.867 ( -0.842 0.069 -6.036) 6.095 7.211 ( 0.630 -0.051 7.141) 7.169 7.343 ( 1.400 0.096 -6.179) 6.336 7.481 ( 0.417 -0.040 10.056) 10.064 7.702 ( 0.517 -0.094 -12.694) 12.705 8.062 ( 0.705 -0.129 -0.304) 0.778 8.067 ( 0.698 -0.304 -0.702) 1.036 8.255 ( -1.375 0.599 1.350) 2.018 8.272 ( -0.846 0.459 -0.381) 1.036 9.107 ( -1.119 0.072 17.545) 17.580 9.386 ( -0.797 0.057 -10.895) 10.924 ======================= Grid point 369 (111/147) ======================= q-point: (-0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -0.232 0.107 0.609) 0.661 1.355 ( 0.827 0.135 -0.552) 1.003 1.777 ( -2.220 -1.935 5.771) 6.480 1.850 ( -0.414 -0.696 -1.656) 1.843 1.904 ( -3.149 -1.138 1.651) 3.733 1.969 ( -4.834 -2.112 -4.667) 7.044 2.292 ( 2.035 1.920 1.158) 3.028 2.307 ( 1.829 1.420 -0.191) 2.323 2.726 ( -0.925 0.391 0.171) 1.018 2.730 ( -1.021 0.346 -0.284) 1.115 3.112 ( -6.461 -0.014 8.079) 10.345 3.205 ( -4.593 0.016 -2.266) 5.122 3.279 ( 2.376 0.101 1.452) 2.786 3.320 ( 1.780 0.110 -2.237) 2.861 3.628 ( 1.509 -0.265 19.977) 20.036 4.060 ( -0.481 -0.301 -21.470) 21.478 4.315 ( -3.175 -0.023 2.947) 4.332 4.366 ( -3.144 -0.005 -2.130) 3.797 6.342 ( 0.064 -0.015 0.343) 0.350 6.369 ( 0.042 -0.201 -2.214) 2.224 6.518 ( 2.463 0.002 3.397) 4.196 6.572 ( 1.592 0.147 -1.261) 2.036 6.734 ( -1.573 0.106 2.955) 3.349 6.740 ( -1.329 0.098 -0.033) 1.333 6.795 ( 1.508 -0.090 -1.595) 2.197 6.864 ( 0.650 -0.149 -6.098) 6.134 7.212 ( -0.565 0.048 6.933) 6.956 7.340 ( -1.708 -0.142 -6.006) 6.246 7.482 ( -0.302 0.051 10.116) 10.121 7.704 ( -0.268 0.138 -12.801) 12.805 8.066 ( -0.299 0.214 -0.163) 0.402 8.074 ( -0.071 0.322 -0.841) 0.904 8.241 ( -0.038 -0.721 1.565) 1.723 8.261 ( -0.241 -0.534 -0.538) 0.796 9.105 ( 0.934 -0.073 17.545) 17.570 9.385 ( 0.658 -0.061 -10.924) 10.944 ======================= Grid point 370 (112/147) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.386 0.030 1.536) 1.584 1.368 ( 0.448 0.014 -1.486) 1.552 1.715 ( -7.866 -5.630 6.563) 11.690 1.833 ( -5.330 -2.271 -4.077) 7.084 1.869 ( -0.451 -2.144 0.170) 2.197 1.885 ( -1.694 -3.696 -2.461) 4.753 2.293 ( -0.542 3.935 1.403) 4.213 2.310 ( -0.601 3.982 -0.445) 4.052 2.669 ( -4.928 0.590 1.084) 5.081 2.690 ( -2.735 0.605 -1.091) 3.006 2.959 ( -7.873 -0.159 11.317) 13.787 3.107 ( -5.195 0.020 -4.716) 7.016 3.294 ( -0.847 0.235 1.800) 2.004 3.306 ( -3.653 0.285 1.353) 3.905 3.685 ( 3.362 -0.344 13.956) 14.359 4.035 ( -3.666 -0.558 -18.147) 18.522 4.199 ( -8.571 -0.018 3.080) 9.108 4.260 ( -6.578 -0.056 -3.705) 7.549 6.354 ( 1.378 -0.228 0.581) 1.513 6.385 ( 1.502 -0.704 -2.255) 2.800 6.592 ( 3.333 0.316 3.291) 4.695 6.602 ( 1.795 0.267 2.560) 3.138 6.682 ( -3.155 0.100 -0.073) 3.157 6.728 ( 0.696 0.280 -4.113) 4.181 6.827 ( 1.683 -0.032 0.807) 1.867 6.881 ( 0.678 -0.071 -4.388) 4.440 7.199 ( -0.437 -0.075 4.415) 4.438 7.287 ( -3.690 -0.513 -4.316) 5.702 7.467 ( -1.366 0.209 10.167) 10.261 7.689 ( -1.257 0.314 -12.724) 12.790 8.051 ( -0.781 0.661 0.301) 1.066 8.067 ( -0.119 0.797 -1.237) 1.476 8.257 ( 0.811 -1.850 0.810) 2.177 8.268 ( 0.313 -1.470 -0.161) 1.511 9.142 ( 2.757 -0.335 17.101) 17.325 9.411 ( 2.023 -0.207 -10.366) 10.563 ======================= Grid point 371 (113/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -2.001 -1.015 2.158) 3.113 1.366 ( -1.374 -1.302 -2.235) 2.929 1.547 ( -10.990 -3.369 6.876) 13.395 1.687 ( -9.159 -2.110 -7.203) 11.841 1.891 ( -0.830 -3.269 0.091) 3.374 1.894 ( -1.042 -2.802 -0.217) 2.998 2.233 ( -2.998 3.942 1.213) 5.099 2.247 ( -2.856 3.559 -0.340) 4.576 2.533 ( -8.430 0.111 5.533) 10.084 2.621 ( -4.212 0.333 -3.935) 5.773 2.844 ( -4.184 -0.264 12.309) 13.003 3.016 ( -4.227 -0.031 -5.731) 7.121 3.176 ( -9.565 0.593 6.759) 11.727 3.248 ( -3.817 0.188 -0.043) 3.822 3.700 ( -4.305 0.356 4.351) 6.131 3.853 ( -15.278 -0.069 -8.691) 17.577 4.034 ( -5.971 -0.184 6.036) 8.493 4.188 ( -0.712 -0.147 -10.375) 10.400 6.398 ( 2.722 -0.645 1.102) 3.006 6.425 ( 1.371 -1.065 -0.903) 1.957 6.569 ( -2.027 0.135 1.403) 2.469 6.610 ( -3.915 0.171 0.218) 3.925 6.684 ( 3.352 0.594 1.172) 3.600 6.758 ( 1.688 0.321 -3.269) 3.693 6.863 ( 2.137 0.141 0.462) 2.190 6.886 ( -0.041 0.472 -2.777) 2.817 7.205 ( 0.719 -0.607 0.157) 0.954 7.217 ( -3.590 -0.843 -1.065) 3.839 7.426 ( -2.453 0.661 9.953) 10.272 7.649 ( -2.849 0.399 -12.952) 13.267 8.041 ( 0.288 0.581 0.977) 1.173 8.070 ( 1.059 0.657 -2.000) 2.356 8.281 ( 0.598 -1.689 0.638) 1.902 8.288 ( 0.986 -1.726 -0.077) 1.989 9.215 ( 4.537 -0.840 16.434) 17.070 9.465 ( 3.359 -0.355 -9.182) 9.783 ======================= Grid point 372 (114/147) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -10.800 -3.236 4.437) 12.116 1.291 ( -7.250 -1.614 -0.928) 7.485 1.402 ( -3.500 -0.380 3.761) 5.152 1.527 ( -7.251 1.020 -7.556) 10.522 1.819 ( -6.950 2.204 0.565) 7.313 1.832 ( -5.891 2.071 -0.843) 6.302 2.181 ( -2.100 -3.429 2.703) 4.846 2.206 ( -0.614 -1.633 0.018) 1.745 2.372 ( -7.329 0.135 7.712) 10.640 2.515 ( -7.000 0.063 -7.127) 9.990 2.785 ( -2.562 -0.272 13.725) 13.965 2.923 ( -12.069 0.973 7.335) 14.157 2.948 ( -6.751 0.737 -0.114) 6.792 3.155 ( -5.493 -0.054 -4.339) 7.000 3.497 ( -13.815 0.576 -3.009) 14.151 3.509 ( -18.811 0.176 -5.684) 19.652 4.017 ( 2.571 0.002 8.104) 8.502 4.202 ( 1.754 0.388 -10.738) 10.887 6.392 ( -5.312 -0.493 3.530) 6.397 6.442 ( -0.315 -0.749 -0.601) 1.010 6.533 ( -2.379 -0.171 0.387) 2.416 6.576 ( 2.174 -0.480 -3.533) 4.176 6.707 ( -0.701 0.510 1.864) 2.055 6.772 ( -0.370 -0.041 -2.847) 2.872 6.872 ( -0.869 0.795 0.862) 1.460 6.912 ( 2.932 0.323 -1.940) 3.530 7.157 ( -3.454 -0.906 1.869) 4.031 7.205 ( -2.276 -1.042 -2.665) 3.656 7.388 ( -0.075 1.304 7.245) 7.361 7.576 ( -4.333 0.386 -12.206) 12.958 8.062 ( 1.915 -0.426 1.507) 2.473 8.102 ( 2.218 -0.401 -2.588) 3.432 8.302 ( 1.167 -0.365 1.294) 1.781 8.320 ( 1.813 -0.328 -0.533) 1.918 9.329 ( 6.743 -1.652 15.328) 16.827 9.545 ( 4.755 -0.471 -7.187) 8.631 ======================= Grid point 373 (115/147) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -12.966 1.019 8.868) 15.742 1.137 ( -9.162 -0.951 -4.135) 10.097 1.320 ( -7.032 1.873 1.973) 7.540 1.411 ( -4.117 2.266 -5.449) 7.195 1.642 ( -8.133 4.192 2.319) 9.439 1.684 ( -6.567 4.578 -1.965) 8.243 2.103 ( -9.449 -4.547 7.442) 12.859 2.216 ( -2.437 -5.794 -1.245) 6.408 2.308 ( 0.153 -3.143 1.492) 3.483 2.347 ( -9.433 -0.518 -4.489) 10.459 2.604 ( -13.873 2.194 22.268) 26.328 2.763 ( -1.328 0.461 9.412) 9.517 2.856 ( -4.591 0.941 -5.466) 7.200 3.053 ( -5.065 -0.369 -5.946) 7.820 3.192 ( -12.478 0.050 -7.523) 14.571 3.241 ( -11.715 0.223 -4.592) 12.585 4.089 ( 4.630 0.358 6.930) 8.341 4.246 ( 3.068 0.921 -9.199) 9.741 6.265 ( -7.249 -0.183 3.991) 8.277 6.356 ( -6.826 -0.372 -4.961) 8.446 6.538 ( 0.208 -0.193 2.997) 3.010 6.603 ( -0.914 -0.116 -3.180) 3.311 6.673 ( -1.821 -0.397 2.787) 3.353 6.744 ( -1.937 -0.818 -3.208) 3.835 6.858 ( -0.171 0.464 4.930) 4.955 6.964 ( 2.242 0.457 -5.025) 5.521 7.073 ( -6.350 -0.920 1.161) 6.521 7.124 ( -5.357 -0.506 -3.716) 6.539 7.412 ( 2.364 0.674 1.911) 3.113 7.493 ( -3.482 0.502 -7.101) 7.925 8.113 ( 2.400 -2.493 1.565) 3.798 8.152 ( 2.016 -2.285 -2.341) 3.842 8.330 ( 2.051 2.109 1.998) 3.557 8.362 ( 2.982 2.515 -1.257) 4.099 9.493 ( 9.082 -2.963 12.690) 15.884 9.649 ( 5.608 -0.565 -4.150) 6.999 ======================= Grid point 374 (116/147) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -7.952 5.849 12.196) 15.690 0.978 ( -6.373 1.386 -5.639) 8.622 1.103 ( -12.253 5.311 6.688) 14.936 1.298 ( -6.160 2.828 -9.150) 11.387 1.499 ( -4.849 3.039 6.088) 8.356 1.581 ( -1.708 2.141 -2.600) 3.777 1.918 ( -9.503 -3.046 5.015) 11.169 2.056 ( -11.614 -2.024 -8.962) 14.809 2.274 ( -2.058 -4.366 16.590) 17.278 2.356 ( 1.533 -4.553 0.874) 4.883 2.438 ( -2.251 1.077 13.054) 13.291 2.748 ( -0.086 0.597 10.767) 10.784 2.785 ( -1.743 1.128 -10.013) 10.226 2.942 ( -6.041 -0.029 4.390) 7.468 3.056 ( -6.675 -0.015 -5.803) 8.845 3.059 ( -3.057 -0.310 -16.661) 16.942 4.187 ( 5.409 0.092 5.037) 7.391 4.304 ( 3.133 1.007 -7.274) 7.984 6.138 ( -5.457 -0.032 3.400) 6.430 6.222 ( -6.784 -0.238 -5.343) 8.639 6.494 ( -3.948 0.075 1.974) 4.415 6.534 ( -4.767 0.213 -2.004) 5.176 6.678 ( 1.727 -1.119 4.077) 4.567 6.721 ( -1.211 -0.351 -0.383) 1.318 6.855 ( -0.749 -0.585 2.811) 2.967 6.900 ( -8.458 -0.616 -0.973) 8.536 7.001 ( 0.052 -0.262 -2.841) 2.853 7.059 ( -1.116 0.690 -6.518) 6.648 7.443 ( -0.677 0.095 0.011) 0.683 7.453 ( 0.990 0.525 -0.976) 1.486 8.171 ( 1.551 -4.655 1.289) 5.074 8.199 ( 1.136 -3.896 -1.462) 4.313 8.352 ( 1.762 4.399 2.504) 5.360 8.399 ( 2.467 4.997 -2.132) 5.967 9.693 ( 8.406 -4.752 6.656) 11.728 9.755 ( 4.829 -0.587 -0.587) 4.900 ======================= Grid point 375 (117/147) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -0.000 7.390 14.508) 16.282 0.901 ( -0.000 4.256 18.840) 19.314 0.924 ( -0.000 1.953 -12.937) 13.084 1.209 ( -0.000 2.380 -12.460) 12.685 1.435 ( -0.000 2.161 9.643) 9.882 1.566 ( -0.000 0.693 -4.615) 4.667 1.834 ( 0.000 -1.929 3.596) 4.080 1.937 ( 0.000 -1.335 -7.237) 7.359 2.269 ( 0.000 -2.289 24.344) 24.452 2.395 ( 0.000 -3.887 2.629) 4.692 2.432 ( 0.000 -0.313 3.761) 3.774 2.747 ( -0.000 0.483 10.806) 10.817 2.769 ( -0.000 0.980 -12.858) 12.895 2.874 ( -0.000 0.019 6.533) 6.533 2.981 ( -0.000 0.055 -4.499) 4.500 3.041 ( 0.000 -0.328 -18.781) 18.784 4.255 ( 0.000 -0.350 2.377) 2.403 4.335 ( -0.000 0.793 -6.009) 6.061 6.080 ( -0.000 0.027 2.734) 2.734 6.140 ( -0.000 0.027 -3.289) 3.289 6.443 ( -0.000 0.026 2.020) 2.020 6.479 ( -0.000 0.055 -1.550) 1.551 6.706 ( -0.000 0.026 0.691) 0.692 6.720 ( -0.000 0.026 -0.666) 0.667 6.777 ( 0.000 -1.668 8.141) 8.310 6.866 ( 0.000 -0.162 2.225) 2.231 7.005 ( 0.000 -1.378 -5.232) 5.410 7.047 ( -0.000 1.869 -7.345) 7.579 7.432 ( -0.000 0.309 2.254) 2.275 7.467 ( 0.000 -0.021 -1.577) 1.578 8.214 ( 0.000 -5.454 1.002) 5.545 8.232 ( 0.000 -4.260 -0.794) 4.333 8.345 ( -0.000 5.149 2.590) 5.764 8.396 ( -0.000 5.394 -2.442) 5.921 9.791 ( 0.000 -2.314 2.933) 3.736 9.833 ( 0.000 -2.858 -1.018) 3.034 ======================= Grid point 378 (118/147) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.801 -0.000 2.769) 2.882 1.386 ( -0.487 0.000 -2.563) 2.609 1.630 ( 13.454 -0.000 5.382) 14.491 1.740 ( 9.992 -0.000 -5.558) 11.434 1.942 ( 7.555 -0.000 0.050) 7.555 1.943 ( 7.857 -0.000 -0.001) 7.857 2.162 ( -5.265 0.000 0.577) 5.297 2.175 ( -2.790 0.000 -0.546) 2.843 2.527 ( 8.373 -0.000 5.272) 9.895 2.612 ( 3.920 -0.000 -4.021) 5.615 2.849 ( 4.130 -0.000 12.379) 13.050 3.016 ( 4.237 -0.000 -5.579) 7.006 3.164 ( 10.183 -0.000 7.566) 12.686 3.244 ( 3.671 -0.000 -0.128) 3.674 3.693 ( 5.149 -0.000 4.660) 6.944 3.855 ( 15.699 -0.000 -9.008) 18.100 4.037 ( 5.708 -0.000 6.313) 8.511 4.191 ( 0.966 -0.000 -10.016) 10.063 6.410 ( -3.126 0.000 1.602) 3.513 6.447 ( -1.363 0.000 -1.043) 1.716 6.566 ( 1.609 -0.000 1.300) 2.068 6.605 ( 3.642 -0.000 1.210) 3.838 6.673 ( -2.784 0.000 0.240) 2.794 6.751 ( -1.955 0.000 -4.053) 4.499 6.860 ( -1.964 0.000 0.457) 2.017 6.877 ( 0.653 -0.000 -2.085) 2.185 7.216 ( -1.381 0.000 0.385) 1.434 7.234 ( 3.336 -0.000 -1.428) 3.629 7.413 ( 3.191 -0.000 10.300) 10.783 7.641 ( 2.944 -0.000 -13.243) 13.566 8.032 ( -0.577 0.000 0.844) 1.022 8.060 ( -1.466 0.000 -1.978) 2.462 8.310 ( -0.172 0.000 0.760) 0.779 8.319 ( -0.639 0.000 -0.252) 0.687 9.231 ( -5.202 0.000 15.862) 16.693 9.471 ( -3.501 0.000 -8.820) 9.489 ======================= Grid point 379 (119/147) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -0.023 -0.002 1.585) 1.585 1.368 ( -1.052 0.002 -1.501) 1.834 1.835 ( 7.364 0.866 2.558) 7.843 1.873 ( 3.331 0.344 -1.287) 3.588 1.996 ( -3.135 4.375 1.602) 5.616 2.029 ( 1.668 2.540 -1.500) 3.389 2.133 ( 3.426 -3.870 1.668) 5.431 2.175 ( 2.545 -2.860 -2.298) 4.465 2.656 ( 4.827 -0.111 0.913) 4.914 2.673 ( 2.588 -0.208 -0.884) 2.743 2.963 ( 7.680 0.037 11.131) 13.523 3.107 ( 5.126 -0.004 -4.622) 6.902 3.289 ( 0.850 -0.054 1.720) 1.920 3.300 ( 3.856 -0.076 1.479) 4.130 3.693 ( -2.974 0.086 14.718) 15.016 4.048 ( 3.916 0.136 -17.886) 18.310 4.199 ( 8.578 0.002 3.237) 9.169 4.262 ( 6.388 0.011 -3.622) 7.344 6.359 ( -1.875 0.046 1.106) 2.177 6.402 ( -2.099 0.193 -2.954) 3.629 6.589 ( -3.924 0.048 3.767) 5.439 6.593 ( -0.534 -0.177 2.637) 2.696 6.681 ( 2.991 -0.001 -0.628) 3.056 6.720 ( -0.385 -0.103 -4.223) 4.242 6.828 ( -1.515 0.009 1.052) 1.844 6.882 ( -0.296 0.007 -4.140) 4.151 7.201 ( 0.020 0.015 4.954) 4.955 7.298 ( 3.163 0.119 -4.808) 5.756 7.461 ( 1.692 -0.059 10.114) 10.255 7.682 ( 1.399 -0.065 -12.614) 12.692 8.040 ( 1.081 -0.080 0.032) 1.085 8.051 ( 0.285 -0.149 -1.093) 1.140 8.297 ( -1.532 0.395 0.405) 1.633 8.299 ( -0.916 0.276 0.227) 0.983 9.150 ( -3.202 0.087 16.943) 17.244 9.416 ( -2.204 0.052 -10.203) 10.439 ======================= Grid point 380 (120/147) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.481 -0.035 0.547) 0.729 1.351 ( -0.631 -0.062 -0.513) 0.815 1.858 ( -4.337 2.064 2.127) 5.253 1.876 ( -1.506 0.574 -0.345) 1.648 1.931 ( -0.639 0.438 3.999) 4.073 2.020 ( -1.721 0.615 -4.193) 4.574 2.232 ( 4.682 -0.951 1.031) 4.887 2.253 ( 3.522 -1.463 -0.748) 3.886 2.716 ( 1.740 -0.142 0.202) 1.758 2.721 ( 1.993 -0.150 -0.275) 2.018 3.113 ( 6.369 0.007 7.962) 10.196 3.205 ( 4.688 -0.011 -2.288) 5.216 3.276 ( -2.152 -0.063 1.445) 2.593 3.317 ( -1.463 -0.069 -2.209) 2.651 3.635 ( -2.137 0.116 20.328) 20.441 4.068 ( -0.299 0.141 -21.301) 21.304 4.316 ( 3.135 0.009 2.969) 4.318 4.366 ( 3.130 0.009 -2.082) 3.759 6.341 ( -0.145 -0.041 0.683) 0.700 6.376 ( -0.691 0.142 -2.631) 2.724 6.519 ( -2.394 0.036 3.250) 4.037 6.568 ( -1.213 -0.077 -1.008) 1.579 6.732 ( 1.988 -0.035 3.005) 3.603 6.736 ( 1.241 -0.064 -0.532) 1.352 6.798 ( -1.518 0.068 -1.181) 1.924 6.867 ( -0.917 0.028 -6.009) 6.078 7.211 ( 0.651 -0.031 7.205) 7.234 7.344 ( 1.292 0.048 -6.236) 6.369 7.481 ( 0.460 -0.022 10.044) 10.055 7.701 ( 0.602 -0.048 -12.661) 12.676 8.061 ( 0.736 -0.034 -0.397) 0.838 8.064 ( 0.938 -0.204 -0.613) 1.139 8.260 ( -1.808 0.332 1.287) 2.244 8.276 ( -1.187 0.258 -0.332) 1.260 9.107 ( -1.184 0.042 17.542) 17.582 9.387 ( -0.845 0.033 -10.884) 10.917 ======================= Grid point 381 (121/147) ======================= q-point: (-0.62 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.146 0.081 0.624) 0.646 1.356 ( 0.953 0.100 -0.558) 1.108 1.762 ( -4.849 -1.031 6.277) 7.998 1.844 ( -1.326 -0.375 -1.824) 2.286 1.893 ( -3.150 -0.904 1.191) 3.487 1.949 ( -5.730 -1.617 -4.545) 7.490 2.308 ( 2.836 1.233 1.102) 3.283 2.319 ( 3.204 0.905 -0.073) 3.330 2.729 ( -0.581 0.301 0.135) 0.668 2.734 ( -0.825 0.253 -0.270) 0.904 3.112 ( -6.491 -0.010 8.118) 10.394 3.206 ( -4.558 0.010 -2.253) 5.085 3.280 ( 2.450 0.066 1.447) 2.846 3.321 ( 1.886 0.072 -2.251) 2.937 3.626 ( 1.317 -0.195 19.866) 19.911 4.057 ( -0.726 -0.217 -21.540) 21.554 4.315 ( -3.189 -0.018 2.955) 4.348 4.366 ( -3.154 -0.001 -2.151) 3.818 6.342 ( 0.056 -0.033 0.294) 0.302 6.367 ( -0.173 -0.123 -2.128) 2.138 6.518 ( 2.483 0.019 3.412) 4.220 6.573 ( 1.732 0.101 -1.336) 2.190 6.735 ( -1.684 0.100 3.317) 3.721 6.740 ( -1.081 0.042 -0.177) 1.097 6.794 ( 1.434 -0.046 -1.793) 2.296 6.863 ( 0.577 -0.131 -6.118) 6.146 7.213 ( -0.536 0.031 6.835) 6.856 7.339 ( -1.837 -0.111 -5.929) 6.208 7.483 ( -0.257 0.038 10.154) 10.157 7.706 ( -0.160 0.107 -12.852) 12.854 8.068 ( -0.045 0.165 -0.124) 0.211 8.077 ( 0.254 0.232 -0.886) 0.950 8.234 ( -0.733 -0.526 1.671) 1.899 8.256 ( -0.756 -0.383 -0.614) 1.047 9.104 ( 0.857 -0.050 17.542) 17.563 9.384 ( 0.600 -0.043 -10.936) 10.953 ======================= Grid point 382 (122/147) ======================= q-point: (-0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.658 0.027 1.526) 1.662 1.368 ( 0.116 0.032 -1.479) 1.484 1.663 ( -7.625 -4.454 7.499) 11.585 1.807 ( -6.198 -2.490 -6.500) 9.321 1.850 ( -1.953 -1.581 0.016) 2.513 1.857 ( -0.912 -1.826 -0.886) 2.226 2.326 ( -0.096 2.546 1.773) 3.105 2.346 ( 0.053 2.967 -0.557) 3.019 2.674 ( -5.136 0.499 1.070) 5.270 2.695 ( -2.835 0.439 -1.097) 3.072 2.957 ( -7.953 -0.135 11.393) 13.895 3.107 ( -5.224 0.018 -4.756) 7.065 3.297 ( -0.804 0.197 1.811) 1.991 3.309 ( -3.600 0.228 1.320) 3.841 3.682 ( 3.538 -0.280 13.643) 14.097 4.029 ( -3.557 -0.462 -18.254) 18.603 4.198 ( -8.572 -0.019 3.018) 9.087 4.260 ( -6.657 -0.050 -3.741) 7.636 6.352 ( 1.193 -0.201 0.398) 1.274 6.378 ( 1.281 -0.554 -2.027) 2.461 6.596 ( 3.773 0.354 3.252) 4.993 6.604 ( 1.571 0.152 2.426) 2.895 6.683 ( -3.197 0.094 0.139) 3.202 6.730 ( 0.792 0.204 -4.104) 4.185 6.827 ( 1.770 -0.024 0.701) 1.904 6.880 ( 0.852 -0.079 -4.461) 4.543 7.198 ( -0.614 -0.067 4.186) 4.232 7.282 ( -3.894 -0.432 -4.131) 5.693 7.468 ( -1.254 0.163 10.233) 10.311 7.692 ( -1.196 0.276 -12.788) 12.847 8.058 ( -0.582 0.710 0.361) 0.987 8.075 ( 0.047 0.795 -1.274) 1.503 8.239 ( 0.443 -1.725 1.038) 2.061 8.253 ( -0.041 -1.334 -0.345) 1.379 9.139 ( 2.584 -0.269 17.154) 17.350 9.410 ( 1.951 -0.168 -10.429) 10.612 ======================= Grid point 383 (123/147) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -3.345 -1.477 1.977) 4.157 1.351 ( -2.593 -1.451 -2.229) 3.715 1.518 ( -8.365 -2.191 7.463) 11.423 1.669 ( -7.805 -1.440 -7.710) 11.065 1.857 ( -0.145 -3.272 0.362) 3.296 1.865 ( -0.454 -2.753 -0.501) 2.835 2.272 ( -3.964 3.524 1.309) 5.463 2.284 ( -4.180 3.436 -0.160) 5.414 2.533 ( -8.789 -0.194 5.740) 10.499 2.624 ( -4.415 0.156 -4.057) 5.998 2.841 ( -4.227 -0.261 12.305) 13.013 3.015 ( -4.226 -0.034 -5.827) 7.198 3.182 ( -9.287 0.542 6.368) 11.274 3.250 ( -3.888 0.178 0.002) 3.892 3.703 ( -3.840 0.353 4.186) 5.691 3.852 ( -15.054 -0.060 -8.505) 17.291 4.032 ( -6.116 -0.179 5.885) 8.490 4.187 ( -0.572 -0.140 -10.575) 10.591 6.392 ( 2.519 -0.602 0.869) 2.732 6.415 ( 1.367 -0.934 -0.859) 1.865 6.570 ( -2.218 0.130 1.387) 2.619 6.611 ( -4.050 0.105 -0.244) 4.058 6.690 ( 3.582 0.577 1.623) 3.975 6.761 ( 1.562 0.258 -2.842) 3.253 6.864 ( 2.232 0.150 0.462) 2.284 6.891 ( 0.276 0.446 -3.108) 3.152 7.198 ( 0.342 -0.597 0.060) 0.691 7.209 ( -3.648 -0.764 -0.957) 3.848 7.433 ( -2.094 0.577 9.851) 10.087 7.653 ( -2.830 0.386 -12.824) 13.138 8.047 ( 0.047 0.708 1.042) 1.261 8.078 ( 0.785 0.780 -2.017) 2.301 8.263 ( 0.977 -1.839 0.647) 2.180 8.270 ( 1.163 -1.719 -0.024) 2.076 9.206 ( 4.199 -0.763 16.715) 17.251 9.461 ( 3.285 -0.328 -9.369) 9.934 ======================= Grid point 384 (124/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -9.586 -2.636 3.824) 10.652 1.268 ( -7.203 -2.786 -3.058) 8.307 1.408 ( -2.938 1.423 5.873) 6.720 1.541 ( -5.373 1.556 -7.144) 9.074 1.832 ( -4.243 0.232 0.385) 4.267 1.842 ( -3.442 -0.235 -0.675) 3.516 2.156 ( -5.917 -1.098 3.486) 6.954 2.195 ( -3.698 -0.553 -0.467) 3.768 2.370 ( -7.677 -0.561 7.831) 10.981 2.515 ( -7.223 -0.117 -7.141) 10.157 2.782 ( -2.575 -0.315 13.751) 13.994 2.933 ( -8.532 0.769 2.259) 8.860 2.956 ( -9.373 0.784 3.981) 10.214 3.154 ( -5.677 -0.043 -4.221) 7.075 3.503 ( -13.993 0.623 -3.139) 14.354 3.510 ( -18.719 0.186 -5.292) 19.454 4.017 ( 2.841 0.008 8.230) 8.706 4.206 ( 2.134 0.409 -10.972) 11.185 6.387 ( -5.031 -0.515 3.304) 6.041 6.434 ( -0.106 -0.800 -0.659) 1.042 6.531 ( -2.695 -0.163 0.138) 2.703 6.571 ( 1.988 -0.486 -3.471) 4.030 6.712 ( -0.974 0.564 1.996) 2.291 6.772 ( -0.629 -0.050 -2.269) 2.355 6.880 ( -0.898 0.779 0.547) 1.309 6.915 ( 3.023 0.287 -1.826) 3.544 7.149 ( -3.412 -0.726 1.610) 3.842 7.193 ( -2.305 -1.215 -2.676) 3.735 7.401 ( 0.057 1.355 6.952) 7.083 7.579 ( -4.416 0.288 -11.462) 12.287 8.057 ( 1.030 -0.422 1.475) 1.848 8.098 ( 1.284 -0.462 -2.601) 2.938 8.299 ( 2.294 -0.374 1.332) 2.678 8.317 ( 3.091 -0.338 -0.495) 3.148 9.311 ( 6.138 -1.672 16.093) 17.304 9.540 ( 4.675 -0.491 -7.611) 8.946 ======================= Grid point 385 (125/147) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -9.632 2.227 6.643) 11.910 1.125 ( -8.096 -1.341 -4.861) 9.538 1.344 ( -4.237 2.887 3.967) 6.483 1.439 ( -4.069 3.172 -5.001) 7.185 1.691 ( -7.756 5.109 2.253) 9.557 1.731 ( -6.068 4.446 -1.950) 7.771 2.047 ( -9.115 -6.136 7.167) 13.118 2.154 ( -3.275 -6.173 -0.708) 7.024 2.275 ( -2.728 -3.124 2.382) 4.783 2.340 ( -10.267 -0.813 -5.459) 11.657 2.624 ( -13.494 1.536 22.077) 25.920 2.769 ( -1.405 0.658 8.346) 8.489 2.866 ( -4.249 0.849 -4.778) 6.450 3.049 ( -5.155 -0.440 -6.439) 8.260 3.192 ( -12.671 0.069 -6.884) 14.420 3.244 ( -11.864 0.279 -4.660) 12.750 4.093 ( 4.737 0.436 7.289) 8.704 4.256 ( 3.345 1.083 -9.383) 10.020 6.263 ( -7.159 -0.221 3.830) 8.122 6.352 ( -6.820 -0.473 -4.931) 8.429 6.535 ( 0.605 -0.313 3.112) 3.186 6.602 ( -0.459 -0.036 -3.012) 3.047 6.669 ( -2.545 -0.371 2.424) 3.534 6.735 ( -2.410 -0.865 -3.061) 3.991 6.862 ( -0.601 0.291 4.989) 5.033 6.969 ( 2.279 0.544 -4.978) 5.502 7.063 ( -6.319 -0.862 0.845) 6.433 7.117 ( -5.156 -0.845 -4.145) 6.669 7.421 ( 1.977 1.003 2.334) 3.219 7.498 ( -3.375 0.281 -5.992) 6.883 8.088 ( 1.267 -2.326 1.480) 3.034 8.127 ( 0.984 -2.379 -2.462) 3.562 8.352 ( 3.460 2.114 2.214) 4.620 8.388 ( 4.621 2.547 -1.494) 5.484 9.461 ( 7.954 -3.300 14.394) 16.774 9.643 ( 5.471 -0.709 -4.980) 7.432 ======================= Grid point 386 (126/147) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -4.535 8.380 8.740) 12.929 0.994 ( -4.704 1.728 -5.544) 7.473 1.170 ( -10.832 7.390 7.059) 14.892 1.334 ( -5.264 4.092 -7.578) 10.093 1.539 ( -4.678 4.790 5.543) 8.692 1.610 ( -3.001 3.655 -1.923) 5.105 1.877 ( -9.318 -5.002 5.490) 11.916 2.028 ( -11.163 -3.304 -9.578) 15.075 2.220 ( -2.001 -5.922 12.917) 14.351 2.304 ( 0.850 -5.536 -0.708) 5.645 2.445 ( -3.997 0.315 17.210) 17.671 2.756 ( 0.056 0.791 10.124) 10.155 2.797 ( -1.727 1.209 -9.144) 9.384 2.941 ( -5.873 -0.071 3.863) 7.030 3.053 ( -3.409 -0.464 -15.154) 15.539 3.058 ( -6.516 0.018 -6.774) 9.399 4.189 ( 5.051 0.166 5.774) 7.673 4.316 ( 3.193 1.338 -7.521) 8.280 6.137 ( -5.382 -0.048 3.306) 6.316 6.219 ( -6.636 -0.336 -5.138) 8.399 6.495 ( -4.022 0.115 2.108) 4.543 6.537 ( -4.880 0.287 -2.029) 5.293 6.665 ( 1.873 -1.321 4.285) 4.860 6.717 ( -0.721 -0.568 -0.792) 1.212 6.848 ( -1.652 -0.791 2.143) 2.820 6.891 ( -8.353 -0.900 -1.523) 8.538 7.001 ( -0.270 0.237 -1.919) 1.953 7.063 ( -0.369 0.142 -6.068) 6.081 7.443 ( -0.268 -0.096 0.881) 0.926 7.461 ( 0.369 0.901 -0.999) 1.394 8.126 ( 0.849 -4.094 1.364) 4.398 8.159 ( 0.619 -3.744 -1.937) 4.260 8.397 ( 2.565 4.221 2.911) 5.733 8.451 ( 3.425 5.042 -2.558) 6.610 9.637 ( 7.165 -5.774 10.162) 13.709 9.746 ( 4.434 -1.109 -1.905) 4.951 ======================= Grid point 387 (127/147) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.000 11.621 9.827) 15.219 0.951 ( -0.000 3.229 -10.352) 10.844 0.963 ( -0.000 7.690 17.217) 18.856 1.245 ( -0.000 4.392 -11.193) 12.024 1.468 ( -0.000 4.185 8.487) 9.462 1.578 ( -0.000 1.699 -3.545) 3.931 1.804 ( 0.000 -3.813 3.875) 5.436 1.917 ( 0.000 -2.582 -7.909) 8.320 2.232 ( 0.000 -4.782 19.781) 20.350 2.345 ( 0.000 -5.666 0.709) 5.710 2.423 ( 0.000 -1.255 9.047) 9.134 2.754 ( -0.000 0.867 10.499) 10.534 2.781 ( -0.000 1.263 -12.485) 12.549 2.874 ( -0.000 0.033 6.581) 6.581 2.982 ( -0.000 0.096 -4.509) 4.510 3.036 ( 0.000 -0.594 -18.520) 18.529 4.250 ( 0.000 -0.469 3.531) 3.562 4.345 ( -0.000 1.247 -6.350) 6.472 6.081 ( -0.000 0.048 2.735) 2.735 6.141 ( -0.000 0.049 -3.288) 3.289 6.444 ( -0.000 0.047 2.045) 2.045 6.479 ( -0.000 0.097 -1.566) 1.569 6.707 ( -0.000 0.047 0.692) 0.694 6.720 ( -0.000 0.046 -0.665) 0.667 6.757 ( 0.000 -2.073 7.471) 7.753 6.859 ( 0.000 -1.259 0.350) 1.307 6.997 ( 0.000 -0.195 -3.161) 3.167 7.062 ( -0.000 1.089 -6.844) 6.930 7.435 ( -0.000 0.217 2.325) 2.335 7.468 ( -0.000 0.288 -1.308) 1.340 8.158 ( 0.000 -5.111 1.329) 5.281 8.187 ( 0.000 -4.345 -1.491) 4.594 8.398 ( -0.000 5.099 2.992) 5.912 8.456 ( -0.000 6.036 -2.841) 6.671 9.747 ( 0.000 -6.132 5.682) 8.360 9.805 ( 0.000 -2.186 -0.524) 2.248 ======================= Grid point 392 (128/147) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.505 -0.000 0.539) 0.738 1.351 ( -0.628 0.000 -0.506) 0.806 1.869 ( -4.455 0.000 1.279) 4.635 1.879 ( -1.622 0.000 -0.168) 1.630 1.933 ( -1.954 0.000 4.558) 4.959 2.023 ( -2.633 0.000 -3.860) 4.672 2.228 ( 5.708 -0.000 0.728) 5.755 2.245 ( 4.358 -0.000 -0.683) 4.411 2.716 ( 1.795 -0.000 0.199) 1.806 2.720 ( 2.110 -0.000 -0.271) 2.127 3.113 ( 6.361 -0.000 7.951) 10.183 3.205 ( 4.695 -0.000 -2.289) 5.224 3.276 ( -2.132 0.000 1.443) 2.574 3.316 ( -1.435 0.000 -2.207) 2.633 3.636 ( -2.197 0.000 20.361) 20.479 4.069 ( -0.372 0.000 -21.290) 21.293 4.316 ( 3.131 -0.000 2.975) 4.319 4.366 ( 3.130 -0.000 -2.079) 3.758 6.341 ( -0.157 0.000 0.727) 0.744 6.377 ( -0.749 0.000 -2.681) 2.783 6.519 ( -2.387 0.000 3.230) 4.016 6.568 ( -1.183 0.000 -0.983) 1.538 6.732 ( 2.076 -0.000 3.070) 3.706 6.736 ( 1.179 -0.000 -0.621) 1.333 6.799 ( -1.505 0.000 -1.158) 1.899 6.867 ( -0.945 0.000 -5.998) 6.072 7.211 ( 0.659 -0.000 7.227) 7.257 7.344 ( 1.252 -0.000 -6.257) 6.381 7.481 ( 0.476 -0.000 10.041) 10.053 7.701 ( 0.632 -0.000 -12.650) 12.666 8.061 ( 0.646 -0.000 -0.464) 0.795 8.063 ( 1.118 -0.000 -0.548) 1.245 8.262 ( -1.958 0.000 1.265) 2.331 8.277 ( -1.307 0.000 -0.316) 1.344 9.108 ( -1.207 0.000 17.540) 17.582 9.387 ( -0.862 0.000 -10.880) 10.914 ======================= Grid point 393 (129/147) ======================= q-point: (-0.69 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -0.094 0.030 0.632) 0.640 1.357 ( 1.038 0.037 -0.561) 1.181 1.755 ( -6.489 -0.302 6.508) 9.196 1.842 ( -1.901 -0.110 -1.825) 2.637 1.886 ( -2.961 -0.344 0.914) 3.117 1.938 ( -6.064 -0.619 -4.497) 7.575 2.316 ( 2.990 0.415 1.151) 3.231 2.325 ( 4.106 0.316 -0.089) 4.119 2.732 ( -0.357 0.114 0.108) 0.390 2.735 ( -0.751 0.092 -0.256) 0.799 3.112 ( -6.509 -0.004 8.140) 10.422 3.206 ( -4.537 0.003 -2.245) 5.062 3.281 ( 2.493 0.023 1.442) 2.880 3.322 ( 1.946 0.025 -2.259) 2.982 3.624 ( 1.210 -0.072 19.804) 19.841 4.056 ( -0.863 -0.079 -21.583) 21.601 4.315 ( -3.197 -0.007 2.963) 4.359 4.366 ( -3.161 0.000 -2.164) 3.831 6.342 ( 0.055 -0.016 0.279) 0.285 6.366 ( -0.295 -0.041 -2.087) 2.108 6.518 ( 2.493 0.010 3.412) 4.226 6.574 ( 1.815 0.036 -1.378) 2.279 6.736 ( -1.870 0.046 3.757) 4.197 6.741 ( -0.805 0.004 -0.478) 0.936 6.794 ( 1.372 -0.012 -1.917) 2.357 6.862 ( 0.538 -0.053 -6.128) 6.151 7.213 ( -0.520 0.011 6.777) 6.796 7.338 ( -1.908 -0.042 -5.885) 6.187 7.483 ( -0.232 0.014 10.178) 10.181 7.706 ( -0.098 0.041 -12.882) 12.883 8.069 ( 0.121 0.062 -0.104) 0.171 8.078 ( 0.461 0.085 -0.910) 1.024 8.230 ( -1.157 -0.193 1.736) 2.095 8.254 ( -1.063 -0.139 -0.659) 1.258 9.104 ( 0.814 -0.017 17.540) 17.559 9.384 ( 0.567 -0.015 -10.943) 10.958 ======================= Grid point 394 (130/147) ======================= q-point: (-0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.915 0.013 1.531) 1.783 1.369 ( -0.154 0.032 -1.483) 1.491 1.627 ( -7.563 -2.427 8.085) 11.334 1.786 ( -6.369 -1.536 -7.738) 10.139 1.838 ( -2.303 -0.839 0.203) 2.459 1.845 ( -1.291 -0.766 -0.432) 1.562 2.345 ( 0.226 1.254 2.088) 2.446 2.370 ( 0.525 1.576 -0.722) 1.811 2.678 ( -5.348 0.279 1.050) 5.457 2.698 ( -2.921 0.226 -1.087) 3.124 2.956 ( -8.012 -0.077 11.447) 13.972 3.108 ( -5.245 0.011 -4.785) 7.100 3.298 ( -0.762 0.112 1.812) 1.969 3.311 ( -3.570 0.125 1.302) 3.802 3.679 ( 3.668 -0.156 13.422) 13.915 4.026 ( -3.478 -0.260 -18.330) 18.659 4.198 ( -8.573 -0.013 2.974) 9.074 4.260 ( -6.713 -0.029 -3.768) 7.698 6.350 ( 1.070 -0.117 0.279) 1.112 6.374 ( 1.129 -0.302 -1.882) 2.215 6.599 ( 4.587 0.270 3.310) 5.663 6.605 ( 0.891 0.026 2.263) 2.432 6.684 ( -3.218 0.055 0.283) 3.231 6.732 ( 0.845 0.106 -4.111) 4.198 6.827 ( 1.838 -0.012 0.623) 1.941 6.879 ( 0.981 -0.054 -4.501) 4.607 7.198 ( -0.742 -0.040 4.022) 4.090 7.278 ( -4.035 -0.247 -4.002) 5.688 7.470 ( -1.182 0.089 10.292) 10.360 7.694 ( -1.153 0.162 -12.841) 12.894 8.065 ( -0.379 0.490 0.383) 0.728 8.082 ( 0.222 0.536 -1.312) 1.434 8.224 ( 0.109 -1.091 1.257) 1.668 8.242 ( -0.342 -0.816 -0.499) 1.016 9.137 ( 2.464 -0.148 17.188) 17.365 9.408 ( 1.901 -0.094 -10.473) 10.645 ======================= Grid point 395 (131/147) ======================= q-point: (-0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -4.619 -1.369 2.006) 5.219 1.337 ( -3.670 -1.158 -2.320) 4.494 1.502 ( -5.735 -1.000 7.744) 9.688 1.658 ( -6.412 -0.750 -7.926) 10.222 1.827 ( -0.521 -2.338 0.524) 2.452 1.840 ( -0.427 -2.069 -0.711) 2.229 2.303 ( -3.976 2.274 1.544) 4.833 2.316 ( -4.879 2.697 -0.223) 5.579 2.530 ( -9.287 -0.372 5.997) 11.061 2.625 ( -4.608 0.017 -4.273) 6.285 2.839 ( -4.273 -0.195 12.330) 13.051 3.015 ( -4.230 -0.027 -5.911) 7.269 3.187 ( -9.083 0.375 6.065) 10.928 3.251 ( -3.943 0.126 0.039) 3.945 3.707 ( -3.449 0.261 4.050) 5.326 3.852 ( -14.871 -0.040 -8.342) 17.051 4.030 ( -6.238 -0.131 5.759) 8.491 4.185 ( -0.455 -0.101 -10.744) 10.754 6.386 ( 2.359 -0.421 0.688) 2.493 6.407 ( 1.365 -0.628 -0.839) 1.721 6.571 ( -2.369 0.095 1.346) 2.726 6.612 ( -4.164 0.043 -0.569) 4.203 6.695 ( 3.758 0.424 1.944) 4.252 6.763 ( 1.459 0.156 -2.485) 2.886 6.866 ( 2.299 0.116 0.461) 2.348 6.895 ( 0.543 0.317 -3.354) 3.412 7.193 ( 0.016 -0.441 -0.002) 0.441 7.202 ( -3.658 -0.525 -0.907) 3.805 7.438 ( -1.811 0.386 9.798) 9.972 7.656 ( -2.829 0.279 -12.734) 13.048 8.055 ( -0.235 0.635 1.091) 1.284 8.085 ( 0.499 0.699 -2.051) 2.224 8.245 ( 1.393 -1.512 0.766) 2.194 8.255 ( 1.351 -1.301 -0.055) 1.876 9.200 ( 3.930 -0.525 16.933) 17.391 9.458 ( 3.225 -0.229 -9.520) 10.054 ======================= Grid point 396 (132/147) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -7.999 -1.675 2.944) 8.687 1.239 ( -7.132 -2.552 -3.514) 8.350 1.428 ( -1.982 2.195 6.420) 7.068 1.557 ( -4.010 1.596 -6.568) 7.859 1.822 ( -1.946 -2.238 0.390) 2.991 1.831 ( -1.866 -1.449 -0.529) 2.421 2.158 ( -8.869 1.283 3.598) 9.656 2.194 ( -6.452 0.285 -0.280) 6.464 2.361 ( -7.974 -0.935 7.874) 11.246 2.513 ( -7.432 -0.232 -7.491) 10.555 2.779 ( -2.587 -0.286 13.845) 14.088 2.939 ( -5.569 0.486 -1.792) 5.870 2.963 ( -11.681 0.625 7.250) 13.762 3.154 ( -5.844 -0.025 -4.117) 7.149 3.509 ( -14.354 0.518 -3.327) 14.744 3.512 ( -18.446 0.160 -4.868) 19.078 4.018 ( 3.102 0.012 8.348) 8.905 4.210 ( 2.486 0.336 -11.187) 11.465 6.382 ( -4.774 -0.419 3.083) 5.698 6.426 ( 0.048 -0.657 -0.702) 0.963 6.530 ( -3.012 -0.114 -0.107) 3.016 6.566 ( 1.868 -0.427 -3.507) 3.996 6.718 ( -1.202 0.538 2.169) 2.538 6.771 ( -0.819 -0.077 -1.643) 1.837 6.887 ( -1.023 0.592 0.256) 1.209 6.917 ( 3.078 0.190 -1.716) 3.529 7.143 ( -3.235 -0.393 1.174) 3.464 7.181 ( -2.437 -1.120 -2.478) 3.652 7.414 ( 0.284 1.115 6.595) 6.695 7.581 ( -4.620 0.135 -10.699) 11.655 8.053 ( 0.246 -0.316 1.388) 1.445 8.093 ( 0.344 -0.418 -2.596) 2.652 8.295 ( 3.399 -0.302 1.373) 3.678 8.314 ( 4.308 -0.270 -0.447) 4.339 9.296 ( 5.608 -1.325 16.760) 17.723 9.535 ( 4.599 -0.400 -7.992) 9.229 ======================= Grid point 397 (133/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -6.118 2.931 3.741) 7.747 1.111 ( -6.722 -1.319 -4.268) 8.071 1.379 ( -2.361 3.865 5.045) 6.780 1.474 ( -3.522 3.453 -4.338) 6.568 1.740 ( -6.077 4.043 1.568) 7.465 1.769 ( -4.598 2.578 -1.587) 5.505 1.986 ( -10.161 -5.165 7.773) 13.797 2.092 ( -5.159 -5.587 -0.245) 7.608 2.246 ( -4.621 -2.497 2.330) 5.746 2.330 ( -11.401 -1.086 -6.646) 13.241 2.635 ( -13.299 0.809 22.515) 26.162 2.776 ( -1.665 0.693 7.396) 7.612 2.873 ( -3.930 0.558 -4.143) 5.737 3.044 ( -5.286 -0.409 -6.943) 8.735 3.193 ( -12.852 0.071 -6.245) 14.289 3.247 ( -12.028 0.272 -4.730) 12.927 4.097 ( 4.846 0.414 7.658) 9.072 4.267 ( 3.619 0.994 -9.566) 10.276 6.261 ( -7.066 -0.207 3.649) 7.956 6.347 ( -6.808 -0.466 -4.876) 8.387 6.532 ( 0.976 -0.363 3.186) 3.352 6.602 ( 0.056 0.058 -3.303) 3.304 6.666 ( -3.183 -0.295 2.470) 4.040 6.727 ( -2.988 -0.675 -2.743) 4.112 6.864 ( -1.070 0.058 5.115) 5.226 6.974 ( 2.478 0.466 -4.972) 5.575 7.056 ( -6.553 -0.611 0.186) 6.584 7.107 ( -4.878 -0.959 -4.257) 6.545 7.432 ( 1.622 1.187 2.477) 3.190 7.498 ( -3.320 -0.126 -4.524) 5.613 8.067 ( 0.564 -1.672 1.108) 2.083 8.104 ( 0.204 -2.093 -2.504) 3.270 8.372 ( 4.604 1.757 2.449) 5.503 8.413 ( 5.979 2.118 -1.686) 6.563 9.428 ( 6.923 -2.877 15.991) 17.661 9.635 ( 5.299 -0.672 -5.787) 7.875 ======================= Grid point 398 (134/147) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -1.331 9.139 4.446) 10.250 1.012 ( -2.998 1.658 -3.893) 5.185 1.250 ( -8.665 8.069 6.760) 13.634 1.380 ( -4.192 4.850 -5.593) 8.508 1.595 ( -4.581 6.057 4.808) 8.988 1.654 ( -3.906 4.726 -1.196) 6.247 1.817 ( -9.102 -6.640 6.366) 12.941 1.988 ( -10.113 -4.488 -9.795) 14.777 2.157 ( -3.532 -6.312 9.291) 11.775 2.244 ( -0.231 -5.891 -2.543) 6.421 2.446 ( -5.325 -0.208 20.854) 21.524 2.764 ( 0.170 0.753 9.380) 9.412 2.809 ( -1.733 0.977 -8.233) 8.470 2.940 ( -5.647 -0.123 3.126) 6.456 3.048 ( -3.082 -0.542 -16.220) 16.519 3.058 ( -7.116 0.087 -4.968) 8.679 4.191 ( 4.674 0.209 6.595) 8.086 4.330 ( 3.221 1.337 -7.784) 8.530 6.137 ( -5.292 -0.055 3.193) 6.181 6.215 ( -6.442 -0.357 -4.896) 8.099 6.496 ( -4.106 0.127 2.249) 4.683 6.540 ( -5.035 0.291 -2.061) 5.448 6.653 ( 2.009 -1.134 4.373) 4.944 6.710 ( -0.129 -0.671 -1.229) 1.406 6.839 ( -2.037 -0.764 2.046) 2.986 6.882 ( -8.801 -0.822 -1.756) 9.012 7.005 ( -0.284 0.461 -1.812) 1.892 7.061 ( 0.033 -0.530 -5.719) 5.743 7.442 ( -0.466 -0.026 2.038) 2.091 7.470 ( 0.379 0.815 -0.892) 1.267 8.089 ( 0.454 -2.923 0.964) 3.111 8.123 ( 0.284 -3.219 -2.267) 3.947 8.437 ( 3.209 3.600 3.373) 5.885 8.500 ( 4.219 4.350 -2.988) 6.757 9.579 ( 5.898 -5.404 13.537) 15.724 9.734 ( 4.058 -1.198 -3.239) 5.329 ======================= Grid point 399 (135/147) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.000 12.367 4.782) 13.259 0.987 ( -0.000 3.561 -6.818) 7.692 1.054 ( -0.000 9.933 15.146) 18.112 1.297 ( -0.000 5.739 -9.223) 10.863 1.520 ( -0.000 5.858 6.847) 9.011 1.603 ( -0.000 3.179 -1.988) 3.749 1.756 ( 0.000 -5.601 4.333) 7.082 1.885 ( 0.000 -3.619 -9.089) 9.783 2.171 ( 0.000 -7.116 14.656) 16.292 2.281 ( 0.000 -6.597 -1.509) 6.768 2.408 ( 0.000 -1.508 15.241) 15.316 2.764 ( -0.000 0.904 10.059) 10.100 2.794 ( -0.000 1.126 -12.222) 12.274 2.874 ( -0.000 0.041 6.649) 6.649 2.983 ( -0.000 0.115 -4.522) 4.523 3.029 ( 0.000 -0.741 -18.124) 18.140 4.246 ( 0.000 -0.410 4.942) 4.959 4.359 ( -0.000 1.341 -6.730) 6.863 6.081 ( -0.000 0.059 2.736) 2.737 6.141 ( -0.000 0.059 -3.288) 3.288 6.444 ( -0.000 0.057 2.079) 2.079 6.480 ( -0.000 0.116 -1.589) 1.594 6.707 ( -0.000 0.056 0.693) 0.695 6.721 ( -0.000 0.056 -0.663) 0.666 6.737 ( 0.000 -1.734 6.889) 7.104 6.842 ( 0.000 -1.827 -1.192) 2.181 6.998 ( -0.000 0.338 -1.691) 1.725 7.069 ( -0.000 0.157 -6.377) 6.379 7.436 ( 0.000 -0.074 2.929) 2.929 7.473 ( -0.000 0.697 -1.161) 1.354 8.112 ( 0.000 -3.899 1.139) 4.062 8.145 ( 0.000 -3.797 -2.049) 4.315 8.448 ( -0.000 4.553 3.559) 5.779 8.516 ( -0.000 5.508 -3.368) 6.456 9.676 ( 0.000 -7.065 10.252) 12.450 9.786 ( 0.000 -1.786 -1.668) 2.444 ======================= Grid point 406 (136/147) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -1.025 0.000 1.536) 1.846 1.369 ( -0.259 0.000 -1.488) 1.510 1.614 ( -7.551 0.000 8.289) 11.213 1.778 ( -6.375 0.000 -8.064) 10.280 1.833 ( -2.361 0.000 0.284) 2.378 1.841 ( -1.516 0.000 -0.389) 1.565 2.352 ( 0.344 -0.000 2.206) 2.233 2.378 ( 0.701 -0.000 -0.792) 1.058 2.680 ( -5.441 0.000 1.042) 5.539 2.700 ( -2.953 0.000 -1.081) 3.145 2.956 ( -8.033 0.000 11.466) 14.000 3.108 ( -5.253 0.000 -4.795) 7.113 3.299 ( -0.745 0.000 1.811) 1.959 3.312 ( -3.560 0.000 1.296) 3.789 3.679 ( 3.716 -0.000 13.342) 13.850 4.024 ( -3.449 0.000 -18.358) 18.679 4.198 ( -8.573 0.000 2.958) 9.069 4.259 ( -6.734 0.000 -3.778) 7.721 6.350 ( 1.026 -0.000 0.239) 1.054 6.372 ( 1.075 -0.000 -1.832) 2.124 6.601 ( 5.439 -0.000 3.437) 6.434 6.605 ( 0.085 -0.000 2.101) 2.103 6.684 ( -3.224 0.000 0.334) 3.241 6.733 ( 0.861 -0.000 -4.116) 4.205 6.827 ( 1.865 -0.000 0.594) 1.957 6.879 ( 1.029 -0.000 -4.513) 4.629 7.197 ( -0.789 0.000 3.962) 4.040 7.277 ( -4.086 0.000 -3.956) 5.687 7.470 ( -1.157 0.000 10.316) 10.381 7.695 ( -1.137 0.000 -12.861) 12.911 8.068 ( -0.286 0.000 0.387) 0.481 8.085 ( 0.304 -0.000 -1.333) 1.367 8.218 ( -0.035 0.000 1.356) 1.357 8.237 ( -0.465 0.000 -0.562) 0.729 9.136 ( 2.421 -0.000 17.200) 17.370 9.408 ( 1.883 -0.000 -10.489) 10.657 ======================= Grid point 408 (137/147) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -5.291 -0.555 2.100) 5.719 1.329 ( -4.292 -0.443 -2.407) 4.941 1.496 ( -4.155 -0.254 7.815) 8.855 1.653 ( -5.550 -0.223 -7.947) 9.696 1.811 ( -0.974 -0.832 0.528) 1.386 1.825 ( -0.585 -0.784 -0.786) 1.254 2.318 ( -3.935 0.788 1.756) 4.380 2.336 ( -4.955 1.037 -0.386) 5.077 2.526 ( -9.687 -0.200 6.214) 11.510 2.625 ( -4.730 -0.014 -4.452) 6.495 2.837 ( -4.304 -0.072 12.358) 13.086 3.015 ( -4.234 -0.010 -5.961) 7.312 3.189 ( -8.978 0.133 5.901) 10.745 3.252 ( -3.972 0.046 0.060) 3.972 3.708 ( -3.225 0.096 3.974) 5.119 3.852 ( -14.769 -0.014 -8.246) 16.915 4.029 ( -6.307 -0.048 5.687) 8.493 4.185 ( -0.388 -0.037 -10.841) 10.848 6.383 ( 2.273 -0.150 0.588) 2.352 6.402 ( 1.363 -0.221 -0.832) 1.612 6.572 ( -2.451 0.035 1.312) 2.781 6.612 ( -4.231 0.009 -0.727) 4.293 6.699 ( 3.858 0.157 2.099) 4.395 6.764 ( 1.398 0.051 -2.283) 2.678 6.866 ( 2.331 0.044 0.461) 2.376 6.897 ( 0.696 0.114 -3.480) 3.551 7.190 ( -0.168 -0.163 -0.028) 0.235 7.199 ( -3.655 -0.186 -0.894) 3.767 7.440 ( -1.656 0.135 9.779) 9.919 7.658 ( -2.834 0.102 -12.691) 13.004 8.059 ( -0.448 0.265 1.118) 1.233 8.091 ( 0.293 0.297 -2.093) 2.134 8.234 ( 1.680 -0.603 0.896) 1.997 8.245 ( 1.502 -0.495 -0.108) 1.585 9.196 ( 3.782 -0.186 17.050) 17.465 9.457 ( 3.192 -0.082 -9.603) 10.120 ======================= Grid point 409 (138/147) ======================= q-point: (-0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -6.697 -0.761 2.157) 7.077 1.218 ( -7.021 -1.455 -3.417) 7.943 1.449 ( -0.969 1.723 6.355) 6.655 1.571 ( -3.130 1.012 -5.930) 6.781 1.796 ( -1.519 -2.279 1.029) 2.926 1.817 ( -1.041 -1.213 -1.031) 1.901 2.176 ( -9.935 1.770 3.251) 10.602 2.197 ( -8.371 0.141 0.362) 8.380 2.352 ( -8.070 -0.764 7.823) 11.266 2.511 ( -7.579 -0.187 -7.927) 10.969 2.777 ( -2.595 -0.172 13.960) 14.200 2.943 ( -3.854 0.230 -4.036) 5.585 2.968 ( -13.028 0.335 9.003) 15.840 3.154 ( -5.958 -0.011 -4.049) 7.203 3.513 ( -17.034 0.204 -4.168) 17.538 3.514 ( -15.831 0.181 -3.867) 16.298 4.018 ( 3.289 0.008 8.431) 9.050 4.213 ( 2.732 0.189 -11.335) 11.661 6.378 ( -4.597 -0.232 2.918) 5.450 6.421 ( 0.137 -0.367 -0.732) 0.830 6.529 ( -3.273 -0.052 -0.291) 3.286 6.563 ( 1.829 -0.263 -3.547) 4.000 6.723 ( -1.340 0.355 2.279) 2.668 6.770 ( -0.930 -0.076 -1.135) 1.470 6.892 ( -1.171 0.313 0.051) 1.213 6.919 ( 3.101 0.086 -1.630) 3.505 7.140 ( -3.001 -0.098 0.707) 3.085 7.171 ( -2.609 -0.719 -2.187) 3.480 7.423 ( 0.508 0.632 6.297) 6.349 7.582 ( -4.852 0.031 -10.110) 11.214 8.051 ( -0.268 -0.161 1.288) 1.325 8.090 ( -0.363 -0.253 -2.576) 2.614 8.293 ( 4.209 -0.167 1.407) 4.441 8.311 ( 5.174 -0.147 -0.408) 5.192 9.285 ( 5.255 -0.724 17.202) 18.002 9.532 ( 4.545 -0.223 -8.253) 9.424 ======================= Grid point 410 (139/147) ======================= q-point: (-0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -3.243 2.508 0.933) 4.204 1.099 ( -5.538 -0.929 -3.104) 6.416 1.421 ( -0.907 4.162 5.135) 6.672 1.507 ( -2.767 2.782 -3.424) 5.208 1.763 ( -3.367 -0.622 1.130) 3.606 1.783 ( -3.033 0.942 -0.679) 3.248 1.955 ( -12.118 -0.677 7.779) 14.415 2.042 ( -7.727 -4.206 0.750) 8.829 2.224 ( -5.776 -1.712 1.578) 6.228 2.319 ( -12.456 -0.951 -7.807) 14.731 2.641 ( -13.172 0.323 23.053) 26.553 2.782 ( -1.988 0.520 6.769) 7.074 2.877 ( -3.671 0.269 -3.669) 5.197 3.041 ( -5.419 -0.287 -7.346) 9.133 3.194 ( -12.987 0.053 -5.743) 14.201 3.249 ( -12.167 0.198 -4.789) 13.077 4.101 ( 4.934 0.295 7.954) 9.365 4.276 ( 3.833 0.691 -9.710) 10.462 6.259 ( -6.992 -0.145 3.490) 7.816 6.343 ( -6.795 -0.341 -4.815) 8.336 6.528 ( 1.225 -0.288 3.206) 3.444 6.603 ( 0.613 0.071 -3.934) 3.982 6.663 ( -3.751 -0.179 2.900) 4.744 6.722 ( -3.471 -0.393 -2.382) 4.228 6.863 ( -1.438 -0.070 5.242) 5.436 6.978 ( 2.738 0.284 -4.945) 5.659 7.051 ( -6.954 -0.316 -0.647) 6.991 7.098 ( -4.612 -0.764 -4.096) 6.216 7.445 ( 1.481 1.117 2.263) 2.925 7.495 ( -3.415 -0.455 -2.962) 4.543 8.054 ( 0.260 -0.873 0.551) 1.065 8.086 ( -0.365 -1.503 -2.419) 2.871 8.387 ( 5.414 1.157 2.638) 6.133 8.431 ( 6.948 1.391 -1.815) 7.315 9.403 ( 6.168 -1.921 17.175) 18.350 9.629 ( 5.153 -0.472 -6.410) 8.238 ======================= Grid point 411 (140/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 1.084 7.798 -0.036) 7.873 1.027 ( -1.604 1.241 -1.575) 2.568 1.333 ( -6.225 8.176 6.277) 12.041 1.431 ( -3.211 4.825 -3.421) 6.730 1.661 ( -4.252 6.577 3.945) 8.769 1.697 ( -4.097 1.620 0.360) 4.420 1.749 ( -8.961 -4.563 6.836) 12.159 1.937 ( -8.254 -5.511 -8.268) 12.917 2.096 ( -6.881 -5.299 4.711) 9.881 2.185 ( -1.569 -5.569 -4.488) 7.323 2.442 ( -6.222 -0.418 23.820) 24.623 2.771 ( 0.227 0.565 8.768) 8.790 2.817 ( -1.728 0.646 -7.474) 7.698 2.939 ( -5.412 -0.146 2.321) 5.891 3.043 ( -3.280 -0.440 -15.696) 16.041 3.059 ( -7.216 0.080 -4.690) 8.607 4.193 ( 4.356 0.191 7.312) 8.513 4.343 ( 3.219 1.055 -8.007) 8.694 6.136 ( -5.208 -0.048 3.088) 6.055 6.212 ( -6.244 -0.295 -4.674) 7.805 6.497 ( -4.172 0.104 2.362) 4.795 6.542 ( -5.206 0.232 -2.099) 5.618 6.643 ( 2.128 -0.755 4.375) 4.923 6.704 ( 0.409 -0.587 -1.553) 1.710 6.833 ( -2.126 -0.546 2.300) 3.179 6.875 ( -9.250 -0.595 -1.709) 9.425 7.011 ( -0.371 0.591 -2.407) 2.507 7.053 ( 0.233 -1.034 -5.414) 5.517 7.443 ( -0.792 0.090 3.142) 3.242 7.477 ( 0.604 0.532 -0.646) 1.032 8.066 ( 0.264 -1.600 0.184) 1.632 8.094 ( 0.072 -2.511 -2.337) 3.431 8.470 ( 3.704 2.635 3.756) 5.897 8.539 ( 4.840 3.199 -3.350) 6.699 9.530 ( 4.890 -4.042 16.149) 17.350 9.723 ( 3.775 -0.965 -4.371) 5.855 ======================= Grid point 412 (141/147) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -0.000 9.266 0.739) 9.295 1.024 ( -0.000 4.273 -3.591) 5.581 1.163 ( -0.000 11.021 13.088) 17.110 1.359 ( -0.000 6.157 -6.652) 9.064 1.586 ( -0.000 6.926 5.243) 8.687 1.644 ( -0.000 4.847 -0.233) 4.853 1.690 ( 0.000 -7.224 4.951) 8.758 1.844 ( 0.000 -4.221 -10.875) 11.665 2.090 ( 0.000 -8.556 11.023) 13.954 2.211 ( 0.000 -6.975 -4.409) 8.251 2.393 ( 0.000 -1.359 20.888) 20.932 2.772 ( -0.000 0.719 9.460) 9.487 2.804 ( -0.000 0.818 -11.926) 11.954 2.875 ( -0.000 0.038 6.720) 6.720 2.985 ( -0.000 0.107 -4.536) 4.537 3.021 ( 0.000 -0.723 -17.672) 17.687 4.242 ( 0.000 -0.285 6.238) 6.244 4.372 ( -0.000 1.156 -7.062) 7.156 6.082 ( -0.000 0.055 2.737) 2.738 6.142 ( -0.000 0.055 -3.287) 3.288 6.445 ( -0.000 0.054 2.114) 2.115 6.482 ( -0.000 0.108 -1.613) 1.617 6.708 ( -0.000 0.053 0.694) 0.696 6.721 ( -0.000 0.053 -0.661) 0.664 6.722 ( 0.000 -1.140 6.457) 6.557 6.824 ( 0.000 -1.614 -1.780) 2.403 7.002 ( -0.000 0.292 -1.408) 1.438 7.066 ( 0.000 -0.568 -6.051) 6.078 7.435 ( 0.000 -0.099 3.915) 3.917 7.481 ( -0.000 0.728 -1.098) 1.317 8.079 ( 0.000 -2.442 0.477) 2.488 8.109 ( 0.000 -3.049 -2.355) 3.853 8.490 ( -0.000 3.622 4.063) 5.443 8.567 ( -0.000 4.415 -3.862) 5.865 9.609 ( 0.000 -5.919 14.221) 15.403 9.769 ( 0.000 -1.470 -3.034) 3.372 ======================= Grid point 421 (142/147) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -6.196 0.000 1.840) 6.463 1.211 ( -6.970 0.000 -3.336) 7.727 1.459 ( -0.476 0.000 6.252) 6.270 1.576 ( -2.824 0.000 -5.601) 6.272 1.783 ( -1.688 0.000 1.315) 2.139 1.810 ( -0.792 0.000 -1.307) 1.529 2.187 ( -9.868 0.000 3.250) 10.389 2.196 ( -9.314 0.000 0.516) 9.329 2.348 ( -8.058 0.000 7.782) 11.202 2.510 ( -7.631 0.000 -8.125) 11.147 2.776 ( -2.598 0.000 14.012) 14.250 2.944 ( -3.310 0.000 -4.730) 5.773 2.970 ( -13.455 0.000 9.530) 16.489 3.154 ( -5.998 0.000 -4.025) 7.224 3.514 ( -18.701 0.000 -4.609) 19.260 3.515 ( -14.190 0.000 -3.371) 14.585 4.018 ( 3.358 -0.000 8.461) 9.103 4.214 ( 2.821 -0.000 -11.388) 11.732 6.377 ( -4.534 0.000 2.857) 5.359 6.419 ( 0.167 -0.000 -0.742) 0.761 6.528 ( -3.380 0.000 -0.361) 3.399 6.561 ( 1.830 -0.000 -3.560) 4.002 6.725 ( -1.384 0.000 2.310) 2.693 6.770 ( -0.967 0.000 -0.936) 1.345 6.894 ( -1.238 0.000 -0.024) 1.238 6.919 ( 3.108 -0.000 -1.597) 3.495 7.140 ( -2.877 0.000 0.486) 2.918 7.168 ( -2.703 0.000 -2.033) 3.382 7.427 ( 0.603 -0.000 6.180) 6.210 7.582 ( -4.956 0.000 -9.886) 11.059 8.050 ( -0.443 0.000 1.242) 1.319 8.088 ( -0.629 0.000 -2.565) 2.641 8.292 ( 4.507 -0.000 1.420) 4.726 8.311 ( 5.486 -0.000 -0.393) 5.500 9.281 ( 5.132 -0.000 17.356) 18.099 9.531 ( 4.525 -0.000 -8.345) 9.493 ======================= Grid point 423 (143/147) ======================= q-point: (-0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -1.646 0.985 -0.802) 2.079 1.092 ( -4.879 -0.332 -2.259) 5.386 1.456 ( 0.384 2.186 4.537) 5.051 1.527 ( -2.243 1.035 -2.543) 3.545 1.741 ( -3.544 -1.905 3.313) 5.212 1.792 ( -1.252 0.446 -1.801) 2.239 1.963 ( -12.234 1.359 7.321) 14.322 2.008 ( -9.907 -2.214 1.595) 10.276 2.212 ( -6.349 -0.633 0.856) 6.438 2.312 ( -13.112 -0.383 -8.584) 15.677 2.643 ( -13.111 0.077 23.396) 26.820 2.786 ( -2.202 0.192 6.476) 6.842 2.879 ( -3.520 0.073 -3.419) 4.908 3.039 ( -5.504 -0.103 -7.569) 9.359 3.194 ( -13.058 0.020 -5.470) 14.157 3.250 ( -12.246 0.072 -4.822) 13.162 4.103 ( 4.982 0.107 8.118) 9.525 4.281 ( 3.948 0.247 -9.787) 10.557 6.258 ( -6.951 -0.052 3.396) 7.737 6.340 ( -6.788 -0.125 -4.776) 8.301 6.526 ( 1.342 -0.109 3.201) 3.473 6.603 ( 1.006 0.027 -4.447) 4.560 6.662 ( -4.133 -0.055 3.311) 5.296 6.719 ( -3.722 -0.125 -2.149) 4.299 6.863 ( -1.632 -0.046 5.315) 5.560 6.980 ( 2.915 0.091 -4.905) 5.707 7.049 ( -7.275 -0.088 -1.266) 7.385 7.092 ( -4.437 -0.294 -3.884) 5.904 7.454 ( 1.694 0.545 1.875) 2.585 7.491 ( -3.753 -0.325 -1.804) 4.177 8.048 ( 0.227 -0.230 0.099) 0.338 8.075 ( -0.725 -0.576 -2.278) 2.459 8.395 ( 5.835 0.404 2.743) 6.460 8.441 ( 7.455 0.485 -1.879) 7.703 9.390 ( 5.774 -0.671 17.795) 18.720 9.626 ( 5.071 -0.169 -6.745) 8.441 ======================= Grid point 424 (144/147) ======================= q-point: (-0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.732 0.644 0.374) 1.044 1.077 ( 2.529 4.454 -3.602) 6.262 1.417 ( -3.556 7.902 4.935) 9.972 1.473 ( -2.426 3.228 -1.352) 4.258 1.643 ( -8.150 -7.828 8.318) 14.031 1.728 ( -3.543 6.299 2.747) 7.731 1.764 ( -5.105 3.356 1.358) 6.258 1.877 ( -6.411 -6.004 -4.234) 9.751 2.053 ( -10.855 -2.858 -0.640) 11.243 2.134 ( -2.804 -3.950 -6.253) 7.909 2.438 ( -6.737 -0.314 25.856) 26.721 2.775 ( 0.250 0.300 8.408) 8.417 2.822 ( -1.715 0.314 -6.994) 7.208 2.937 ( -5.233 -0.103 1.681) 5.498 3.039 ( -3.477 -0.241 -15.149) 15.545 3.060 ( -7.255 0.046 -4.604) 8.592 4.194 ( 4.148 0.113 7.791) 8.827 4.351 ( 3.206 0.577 -8.153) 8.780 6.136 ( -5.150 -0.028 3.015) 5.968 6.210 ( -6.096 -0.166 -4.519) 7.591 6.498 ( -4.206 0.056 2.433) 4.859 6.544 ( -5.344 0.127 -2.134) 5.756 6.637 ( 2.214 -0.356 4.354) 4.898 6.699 ( 0.771 -0.335 -1.719) 1.914 6.828 ( -2.082 -0.270 2.597) 3.340 6.870 ( -9.526 -0.316 -1.599) 9.665 7.018 ( -0.702 0.800 -3.253) 3.423 7.041 ( 0.490 -1.199 -5.035) 5.199 7.444 ( -1.050 0.106 3.914) 4.053 7.481 ( 0.838 0.238 -0.409) 0.963 8.056 ( 0.229 -0.385 -0.730) 0.856 8.072 ( -0.085 -1.652 -2.096) 2.670 8.491 ( 4.020 1.395 4.005) 5.843 8.564 ( 5.244 1.700 -3.599) 6.583 9.498 ( 4.266 -2.135 17.755) 18.384 9.715 ( 3.600 -0.530 -5.120) 6.281 ======================= Grid point 425 (145/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.000 2.162 1.144) 2.446 1.090 ( -0.000 6.715 -4.485) 8.075 1.277 ( -0.000 11.066 11.359) 15.859 1.419 ( -0.000 5.223 -3.593) 6.339 1.609 ( 0.000 -8.505 5.642) 10.207 1.659 ( -0.000 7.215 4.457) 8.480 1.699 ( -0.000 5.380 1.274) 5.529 1.802 ( 0.000 -3.892 -13.317) 13.874 2.000 ( 0.000 -8.576 8.902) 12.361 2.142 ( 0.000 -6.296 -7.255) 9.606 2.381 ( 0.000 -0.950 24.975) 24.993 2.778 ( -0.000 0.457 9.022) 9.034 2.810 ( -0.000 0.468 -11.763) 11.772 2.875 ( -0.000 0.027 6.778) 6.778 2.985 ( -0.000 0.075 -4.546) 4.547 3.015 ( 0.000 -0.528 -17.272) 17.280 4.240 ( 0.000 -0.157 7.191) 7.192 4.382 ( -0.000 0.774 -7.305) 7.346 6.082 ( -0.000 0.039 2.739) 2.739 6.142 ( -0.000 0.039 -3.287) 3.287 6.445 ( -0.000 0.039 2.143) 2.143 6.483 ( -0.000 0.076 -1.632) 1.634 6.708 ( -0.000 0.038 0.695) 0.696 6.713 ( 0.000 -0.575 6.190) 6.216 6.722 ( -0.000 0.037 -0.660) 0.661 6.810 ( 0.000 -1.040 -1.830) 2.105 7.004 ( -0.000 0.191 -1.760) 1.771 7.059 ( 0.000 -0.815 -5.825) 5.882 7.434 ( 0.000 -0.003 4.812) 4.812 7.487 ( -0.000 0.487 -1.010) 1.121 8.061 ( 0.000 -1.046 -0.417) 1.127 8.083 ( 0.000 -2.187 -2.352) 3.212 8.521 ( -0.000 2.342 4.429) 5.010 8.605 ( -0.000 2.875 -4.264) 5.143 9.558 ( 0.000 -3.815 16.922) 17.347 9.756 ( 0.000 -0.970 -4.125) 4.238 ======================= Grid point 436 (146/147) ======================= q-point: (-0.54 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.439 0.000 1.128) 1.210 1.100 ( 2.992 -0.000 -4.954) 5.787 1.472 ( -0.002 0.000 1.606) 1.606 1.491 ( -2.214 0.000 -0.339) 2.240 1.587 ( -11.224 0.000 12.559) 16.843 1.772 ( -1.500 0.000 -3.010) 3.363 1.788 ( -4.987 0.000 5.148) 7.167 1.829 ( -6.667 0.000 -1.120) 6.760 2.039 ( -12.742 0.000 -3.171) 13.131 2.112 ( -3.284 0.000 -7.119) 7.840 2.436 ( -6.905 0.000 26.596) 27.478 2.777 ( 0.256 -0.000 8.294) 8.298 2.823 ( -1.708 0.000 -6.834) 7.044 2.937 ( -5.167 0.000 1.434) 5.362 3.038 ( -3.556 0.000 -14.929) 15.347 3.060 ( -7.266 0.000 -4.581) 8.590 4.195 ( 4.076 -0.000 7.959) 8.942 4.354 ( 3.200 -0.000 -8.204) 8.806 6.136 ( -5.129 0.000 2.988) 5.936 6.209 ( -6.041 0.000 -4.464) 7.512 6.499 ( -4.215 0.000 2.456) 4.879 6.545 ( -5.397 0.000 -2.149) 5.810 6.635 ( 2.246 -0.000 4.345) 4.891 6.697 ( 0.897 -0.000 -1.765) 1.979 6.827 ( -2.043 0.000 2.723) 3.404 6.869 ( -9.620 0.000 -1.552) 9.745 7.025 ( -2.171 0.000 -3.695) 4.286 7.032 ( 1.902 -0.000 -4.800) 5.163 7.444 ( -1.149 0.000 4.188) 4.343 7.482 ( 0.939 -0.000 -0.315) 0.990 8.056 ( 0.464 -0.000 -1.412) 1.486 8.062 ( -0.376 0.000 -1.668) 1.710 8.498 ( 4.128 -0.000 4.091) 5.812 8.573 ( 5.385 -0.000 -3.689) 6.528 9.487 ( 4.056 -0.000 18.294) 18.738 9.712 ( 3.541 -0.000 -5.380) 6.441 ======================= Grid point 438 (147/147) ======================= q-point: (-0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.25e-05 2.25e-05 2.11e-04 2.11e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 0.620 2.716) 2.786 1.139 ( -0.000 2.443 -6.341) 6.796 1.383 ( -0.000 8.815 10.634) 13.813 1.459 ( -0.000 2.077 -0.806) 2.228 1.521 ( 0.000 -7.761 5.785) 9.679 1.726 ( -0.000 5.028 4.125) 6.504 1.742 ( -0.000 2.184 2.857) 3.597 1.771 ( 0.000 -1.759 -15.719) 15.818 1.925 ( 0.000 -5.024 7.657) 9.158 2.091 ( 0.000 -2.924 -9.287) 9.737 2.375 ( 0.000 -0.344 27.102) 27.104 2.781 ( -0.000 0.158 8.851) 8.853 2.814 ( -0.000 0.148 -11.748) 11.749 2.875 ( -0.000 0.010 6.811) 6.811 2.986 ( -0.000 0.027 -4.553) 4.553 3.011 ( 0.000 -0.194 -17.036) 17.037 4.239 ( 0.000 -0.049 7.688) 7.688 4.387 ( -0.000 0.271 -7.432) 7.437 6.083 ( -0.000 0.014 2.739) 2.739 6.142 ( -0.000 0.014 -3.286) 3.286 6.446 ( -0.000 0.014 2.159) 2.159 6.483 ( -0.000 0.028 -1.643) 1.643 6.709 ( -0.000 0.014 0.696) 0.696 6.710 ( 0.000 -0.163 6.071) 6.073 6.722 ( -0.000 0.013 -0.659) 0.659 6.803 ( 0.000 -0.355 -1.746) 1.782 7.006 ( -0.000 0.093 -2.156) 2.158 7.052 ( 0.000 -0.402 -5.667) 5.681 7.435 ( -0.000 0.019 5.312) 5.312 7.491 ( -0.000 0.165 -0.933) 0.948 8.057 ( -0.000 0.135 -1.236) 1.243 8.065 ( 0.000 -1.197 -2.060) 2.382 8.538 ( -0.000 0.811 4.620) 4.691 8.625 ( -0.000 1.001 -4.500) 4.610 9.532 ( 0.000 -1.309 18.269) 18.315 9.749 ( 0.000 -0.338 -4.718) 4.730 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/30420 10.0 172.429 201.395 122.563 0.000 0.000 -0.000 3/30420 20.0 46.444 27.588 28.278 0.000 0.000 -0.000 3/30420 30.0 28.391 13.100 17.412 0.000 0.000 -0.000 3/30420 40.0 21.061 8.538 13.299 0.000 0.000 -0.000 3/30420 50.0 16.721 6.318 10.813 0.000 0.000 -0.000 3/30420 60.0 13.767 5.000 9.069 0.000 0.000 -0.000 3/30420 70.0 11.637 4.128 7.791 0.000 0.000 -0.000 3/30420 80.0 10.047 3.511 6.831 0.000 0.000 -0.000 3/30420 90.0 8.825 3.054 6.092 0.000 0.000 -0.000 3/30420 100.0 7.864 2.703 5.509 0.000 0.000 -0.000 3/30420 110.0 7.091 2.424 5.038 0.000 0.000 -0.000 3/30420 120.0 6.456 2.199 4.649 0.000 0.000 -0.000 3/30420 130.0 5.927 2.012 4.320 0.000 0.000 -0.000 3/30420 140.0 5.480 1.856 4.039 0.000 0.000 -0.000 3/30420 150.0 5.096 1.722 3.794 0.000 0.000 -0.000 3/30420 160.0 4.763 1.607 3.580 0.000 0.000 -0.000 3/30420 170.0 4.472 1.507 3.389 0.000 0.000 -0.000 3/30420 180.0 4.215 1.419 3.218 0.000 0.000 -0.000 3/30420 190.0 3.987 1.340 3.064 0.000 0.000 -0.000 3/30420 200.0 3.782 1.270 2.925 0.000 0.000 -0.000 3/30420 210.0 3.598 1.207 2.798 0.000 0.000 -0.000 3/30420 220.0 3.431 1.151 2.681 0.000 0.000 -0.000 3/30420 230.0 3.279 1.099 2.574 0.000 0.000 -0.000 3/30420 240.0 3.140 1.052 2.475 0.000 0.000 -0.000 3/30420 250.0 3.013 1.009 2.384 0.000 0.000 -0.000 3/30420 260.0 2.896 0.969 2.299 0.000 0.000 -0.000 3/30420 270.0 2.787 0.932 2.220 0.000 0.000 -0.000 3/30420 280.0 2.687 0.898 2.146 0.000 0.000 -0.000 3/30420 290.0 2.593 0.867 2.076 0.000 0.000 -0.000 3/30420 300.0 2.506 0.837 2.012 0.000 0.000 -0.000 3/30420 310.0 2.425 0.810 1.951 0.000 0.000 -0.000 3/30420 320.0 2.348 0.784 1.893 0.000 0.000 -0.000 3/30420 330.0 2.277 0.760 1.839 0.000 0.000 -0.000 3/30420 340.0 2.209 0.737 1.788 0.000 0.000 -0.000 3/30420 350.0 2.146 0.716 1.739 0.000 0.000 -0.000 3/30420 360.0 2.086 0.696 1.693 0.000 0.000 -0.000 3/30420 370.0 2.030 0.677 1.650 0.000 0.000 -0.000 3/30420 380.0 1.976 0.659 1.608 0.000 0.000 -0.000 3/30420 390.0 1.925 0.642 1.569 0.000 0.000 -0.000 3/30420 400.0 1.877 0.626 1.532 0.000 0.000 -0.000 3/30420 410.0 1.831 0.610 1.496 0.000 0.000 -0.000 3/30420 420.0 1.787 0.596 1.462 0.000 0.000 -0.000 3/30420 430.0 1.746 0.582 1.429 0.000 0.000 -0.000 3/30420 440.0 1.706 0.568 1.398 0.000 0.000 -0.000 3/30420 450.0 1.668 0.556 1.368 0.000 0.000 -0.000 3/30420 460.0 1.632 0.543 1.339 0.000 0.000 -0.000 3/30420 470.0 1.597 0.532 1.312 0.000 0.000 -0.000 3/30420 480.0 1.564 0.521 1.285 0.000 0.000 -0.000 3/30420 490.0 1.532 0.510 1.260 0.000 0.000 -0.000 3/30420 500.0 1.501 0.500 1.235 0.000 0.000 -0.000 3/30420 510.0 1.472 0.490 1.212 0.000 0.000 -0.000 3/30420 520.0 1.444 0.480 1.189 0.000 0.000 -0.000 3/30420 530.0 1.416 0.471 1.168 0.000 0.000 -0.000 3/30420 540.0 1.390 0.463 1.147 0.000 0.000 -0.000 3/30420 550.0 1.365 0.454 1.126 0.000 0.000 -0.000 3/30420 560.0 1.340 0.446 1.107 0.000 0.000 -0.000 3/30420 570.0 1.317 0.438 1.088 0.000 0.000 -0.000 3/30420 580.0 1.294 0.431 1.070 0.000 0.000 -0.000 3/30420 590.0 1.272 0.423 1.052 0.000 0.000 -0.000 3/30420 600.0 1.251 0.416 1.035 0.000 0.000 -0.000 3/30420 610.0 1.231 0.409 1.018 0.000 0.000 -0.000 3/30420 620.0 1.211 0.403 1.002 0.000 0.000 -0.000 3/30420 630.0 1.192 0.396 0.987 0.000 0.000 -0.000 3/30420 640.0 1.173 0.390 0.972 0.000 0.000 -0.000 3/30420 650.0 1.155 0.384 0.957 0.000 0.000 -0.000 3/30420 660.0 1.138 0.378 0.943 0.000 0.000 -0.000 3/30420 670.0 1.121 0.373 0.929 0.000 0.000 -0.000 3/30420 680.0 1.104 0.367 0.916 0.000 0.000 -0.000 3/30420 690.0 1.088 0.362 0.903 0.000 0.000 -0.000 3/30420 700.0 1.073 0.357 0.890 0.000 0.000 -0.000 3/30420 710.0 1.058 0.352 0.878 0.000 0.000 -0.000 3/30420 720.0 1.043 0.347 0.866 0.000 0.000 -0.000 3/30420 730.0 1.029 0.342 0.854 0.000 0.000 -0.000 3/30420 740.0 1.015 0.337 0.843 0.000 0.000 -0.000 3/30420 750.0 1.001 0.333 0.832 0.000 0.000 -0.000 3/30420 760.0 0.988 0.328 0.821 0.000 0.000 -0.000 3/30420 770.0 0.975 0.324 0.811 0.000 0.000 -0.000 3/30420 780.0 0.963 0.320 0.800 0.000 0.000 -0.000 3/30420 790.0 0.951 0.316 0.791 0.000 0.000 -0.000 3/30420 800.0 0.939 0.312 0.781 0.000 0.000 -0.000 3/30420 810.0 0.927 0.308 0.771 0.000 0.000 -0.000 3/30420 820.0 0.916 0.304 0.762 0.000 0.000 -0.000 3/30420 830.0 0.905 0.301 0.753 0.000 0.000 -0.000 3/30420 840.0 0.894 0.297 0.744 0.000 0.000 -0.000 3/30420 850.0 0.884 0.294 0.736 0.000 0.000 -0.000 3/30420 860.0 0.873 0.290 0.727 0.000 0.000 -0.000 3/30420 870.0 0.863 0.287 0.719 0.000 0.000 -0.000 3/30420 880.0 0.854 0.284 0.711 0.000 0.000 -0.000 3/30420 890.0 0.844 0.280 0.703 0.000 0.000 -0.000 3/30420 900.0 0.835 0.277 0.695 0.000 0.000 -0.000 3/30420 910.0 0.825 0.274 0.688 0.000 0.000 -0.000 3/30420 920.0 0.816 0.271 0.680 0.000 0.000 -0.000 3/30420 930.0 0.808 0.268 0.673 0.000 0.000 -0.000 3/30420 940.0 0.799 0.265 0.666 0.000 0.000 -0.000 3/30420 950.0 0.791 0.263 0.659 0.000 0.000 -0.000 3/30420 960.0 0.782 0.260 0.652 0.000 0.000 -0.000 3/30420 970.0 0.774 0.257 0.646 0.000 0.000 -0.000 3/30420 980.0 0.767 0.255 0.639 0.000 0.000 -0.000 3/30420 990.0 0.759 0.252 0.633 0.000 0.000 -0.000 3/30420 1000.0 0.751 0.250 0.627 0.000 0.000 -0.000 3/30420 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:54:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|