----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:17:49]------------------------- Compiled with OpenMP support (max 48 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 1.856416890000000 -7.029159190000000 0.000000000000000 b 1.856416890000000 7.029159190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.681131630000001 Atomic positions (fractional): *1 S 0.56488105588224 0.43511894411777 0.25000000000000 32.065 2 S 0.43511894411776 0.56488105588224 0.75000000000000 32.065 *3 S 0.12104914736136 0.87895085263864 0.55469747574253 32.065 4 S 0.12104914736136 0.87895085263864 0.94530252425747 32.065 5 S 0.87895085263864 0.12104914736136 0.05469747574253 32.065 6 S 0.87895085263864 0.12104914736136 0.44530252425747 32.065 *7 K 0.24576316144954 0.75423683855046 0.25000000000000 39.098 8 K 0.75423683855046 0.24576316144954 0.75000000000000 39.098 *9 Cu 0.96764656961057 0.03235343038943 0.25000000000000 63.546 10 Cu 0.03235343038943 0.96764656961057 0.75000000000000 63.546 *11 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 12 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.712833780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.058318379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.681131630000001 Atomic positions (fractional): *1 S 0.00000000000000 0.43511894411777 0.25000000000000 32.065 > 1 2 S 0.50000000000000 0.06488105588224 0.75000000000000 32.065 > 2 *3 S 0.50000000000000 0.37895085263864 0.55469747574253 32.065 > 3 4 S 0.50000000000000 0.37895085263864 0.94530252425747 32.065 > 4 5 S 0.00000000000000 0.12104914736136 0.05469747574253 32.065 > 5 6 S 0.00000000000000 0.12104914736136 0.44530252425747 32.065 > 6 7 S 0.50000000000000 0.93511894411776 0.25000000000000 32.065 > 1 8 S 0.00000000000000 0.56488105588224 0.75000000000000 32.065 > 2 9 S 0.00000000000000 0.87895085263864 0.55469747574253 32.065 > 3 10 S 0.00000000000000 0.87895085263864 0.94530252425747 32.065 > 4 11 S 0.50000000000000 0.62104914736136 0.05469747574253 32.065 > 5 12 S 0.50000000000000 0.62104914736136 0.44530252425747 32.065 > 6 *13 K 0.50000000000000 0.25423683855046 0.25000000000000 39.098 > 7 14 K 0.00000000000000 0.24576316144954 0.75000000000000 39.098 > 8 15 K 0.00000000000000 0.75423683855046 0.25000000000000 39.098 > 7 16 K 0.50000000000000 0.74576316144954 0.75000000000000 39.098 > 8 *17 Cu 0.00000000000000 0.03235343038943 0.25000000000000 63.546 > 9 18 Cu 0.50000000000000 0.46764656961057 0.75000000000000 63.546 > 10 19 Cu 0.50000000000000 0.53235343038943 0.25000000000000 63.546 > 9 20 Cu 0.00000000000000 0.96764656961057 0.75000000000000 63.546 > 10 *21 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 > 11 22 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 12 23 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 11 24 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.138501339999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.058318379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 19.362263260000002 Atomic positions (fractional): *1 S 0.00000000000000 0.43511894411777 0.12500000000000 32.065 > 1 2 S 0.33333333333333 0.43511894411777 0.12500000000000 32.065 > 1 3 S 0.66666666666667 0.43511894411777 0.12500000000000 32.065 > 1 4 S 0.00000000000000 0.43511894411777 0.62500000000000 32.065 > 1 5 S 0.33333333333333 0.43511894411777 0.62500000000000 32.065 > 1 6 S 0.66666666666667 0.43511894411777 0.62500000000000 32.065 > 1 7 S 0.16666666666667 0.06488105588224 0.37500000000000 32.065 > 2 8 S 0.50000000000000 0.06488105588224 0.37500000000000 32.065 > 2 9 S 0.83333333333333 0.06488105588224 0.37500000000000 32.065 > 2 10 S 0.16666666666667 0.06488105588224 0.87500000000000 32.065 > 2 11 S 0.50000000000000 0.06488105588224 0.87500000000000 32.065 > 2 12 S 0.83333333333333 0.06488105588224 0.87500000000000 32.065 > 2 *13 S 0.16666666666667 0.37895085263864 0.27734873787127 32.065 > 3 14 S 0.50000000000000 0.37895085263864 0.27734873787127 32.065 > 3 15 S 0.83333333333333 0.37895085263864 0.27734873787127 32.065 > 3 16 S 0.16666666666667 0.37895085263864 0.77734873787127 32.065 > 3 17 S 0.50000000000000 0.37895085263864 0.77734873787127 32.065 > 3 18 S 0.83333333333333 0.37895085263864 0.77734873787127 32.065 > 3 19 S 0.16666666666667 0.37895085263864 0.47265126212873 32.065 > 4 20 S 0.50000000000000 0.37895085263864 0.47265126212873 32.065 > 4 21 S 0.83333333333333 0.37895085263864 0.47265126212873 32.065 > 4 22 S 0.16666666666667 0.37895085263864 0.97265126212873 32.065 > 4 23 S 0.50000000000000 0.37895085263864 0.97265126212873 32.065 > 4 24 S 0.83333333333333 0.37895085263864 0.97265126212873 32.065 > 4 25 S 0.00000000000000 0.12104914736136 0.02734873787127 32.065 > 5 26 S 0.33333333333333 0.12104914736136 0.02734873787127 32.065 > 5 27 S 0.66666666666667 0.12104914736136 0.02734873787127 32.065 > 5 28 S 0.00000000000000 0.12104914736136 0.52734873787127 32.065 > 5 29 S 0.33333333333333 0.12104914736136 0.52734873787127 32.065 > 5 30 S 0.66666666666667 0.12104914736136 0.52734873787127 32.065 > 5 31 S 0.00000000000000 0.12104914736136 0.22265126212873 32.065 > 6 32 S 0.33333333333333 0.12104914736136 0.22265126212873 32.065 > 6 33 S 0.66666666666667 0.12104914736136 0.22265126212873 32.065 > 6 34 S 0.00000000000000 0.12104914736136 0.72265126212873 32.065 > 6 35 S 0.33333333333333 0.12104914736136 0.72265126212873 32.065 > 6 36 S 0.66666666666667 0.12104914736136 0.72265126212873 32.065 > 6 37 S 0.16666666666667 0.93511894411776 0.12500000000000 32.065 > 1 38 S 0.50000000000000 0.93511894411776 0.12500000000000 32.065 > 1 39 S 0.83333333333333 0.93511894411776 0.12500000000000 32.065 > 1 40 S 0.16666666666667 0.93511894411776 0.62500000000000 32.065 > 1 41 S 0.50000000000000 0.93511894411776 0.62500000000000 32.065 > 1 42 S 0.83333333333333 0.93511894411776 0.62500000000000 32.065 > 1 43 S 0.00000000000000 0.56488105588224 0.37500000000000 32.065 > 2 44 S 0.33333333333333 0.56488105588224 0.37500000000000 32.065 > 2 45 S 0.66666666666667 0.56488105588224 0.37500000000000 32.065 > 2 46 S 0.00000000000000 0.56488105588224 0.87500000000000 32.065 > 2 47 S 0.33333333333333 0.56488105588224 0.87500000000000 32.065 > 2 48 S 0.66666666666667 0.56488105588224 0.87500000000000 32.065 > 2 49 S 0.00000000000000 0.87895085263864 0.27734873787127 32.065 > 3 50 S 0.33333333333333 0.87895085263864 0.27734873787127 32.065 > 3 51 S 0.66666666666667 0.87895085263864 0.27734873787127 32.065 > 3 52 S 0.00000000000000 0.87895085263864 0.77734873787127 32.065 > 3 53 S 0.33333333333333 0.87895085263864 0.77734873787127 32.065 > 3 54 S 0.66666666666667 0.87895085263864 0.77734873787127 32.065 > 3 55 S 0.00000000000000 0.87895085263864 0.47265126212873 32.065 > 4 56 S 0.33333333333333 0.87895085263864 0.47265126212873 32.065 > 4 57 S 0.66666666666667 0.87895085263864 0.47265126212873 32.065 > 4 58 S 0.00000000000000 0.87895085263864 0.97265126212873 32.065 > 4 59 S 0.33333333333333 0.87895085263864 0.97265126212873 32.065 > 4 60 S 0.66666666666667 0.87895085263864 0.97265126212873 32.065 > 4 61 S 0.16666666666667 0.62104914736136 0.02734873787127 32.065 > 5 62 S 0.50000000000000 0.62104914736136 0.02734873787127 32.065 > 5 63 S 0.83333333333333 0.62104914736136 0.02734873787127 32.065 > 5 64 S 0.16666666666667 0.62104914736136 0.52734873787127 32.065 > 5 65 S 0.50000000000000 0.62104914736136 0.52734873787127 32.065 > 5 66 S 0.83333333333333 0.62104914736136 0.52734873787127 32.065 > 5 67 S 0.16666666666667 0.62104914736136 0.22265126212873 32.065 > 6 68 S 0.50000000000000 0.62104914736136 0.22265126212873 32.065 > 6 69 S 0.83333333333333 0.62104914736136 0.22265126212873 32.065 > 6 70 S 0.16666666666667 0.62104914736136 0.72265126212873 32.065 > 6 71 S 0.50000000000000 0.62104914736136 0.72265126212873 32.065 > 6 72 S 0.83333333333333 0.62104914736136 0.72265126212873 32.065 > 6 *73 K 0.16666666666667 0.25423683855046 0.12500000000000 39.098 > 7 74 K 0.50000000000000 0.25423683855046 0.12500000000000 39.098 > 7 75 K 0.83333333333333 0.25423683855046 0.12500000000000 39.098 > 7 76 K 0.16666666666667 0.25423683855046 0.62500000000000 39.098 > 7 77 K 0.50000000000000 0.25423683855046 0.62500000000000 39.098 > 7 78 K 0.83333333333333 0.25423683855046 0.62500000000000 39.098 > 7 79 K 0.00000000000000 0.24576316144954 0.37500000000000 39.098 > 8 80 K 0.33333333333333 0.24576316144954 0.37500000000000 39.098 > 8 81 K 0.66666666666667 0.24576316144954 0.37500000000000 39.098 > 8 82 K 0.00000000000000 0.24576316144954 0.87500000000000 39.098 > 8 83 K 0.33333333333333 0.24576316144954 0.87500000000000 39.098 > 8 84 K 0.66666666666667 0.24576316144954 0.87500000000000 39.098 > 8 85 K 0.00000000000000 0.75423683855046 0.12500000000000 39.098 > 7 86 K 0.33333333333333 0.75423683855046 0.12500000000000 39.098 > 7 87 K 0.66666666666667 0.75423683855046 0.12500000000000 39.098 > 7 88 K 0.00000000000000 0.75423683855046 0.62500000000000 39.098 > 7 89 K 0.33333333333333 0.75423683855046 0.62500000000000 39.098 > 7 90 K 0.66666666666667 0.75423683855046 0.62500000000000 39.098 > 7 91 K 0.16666666666667 0.74576316144954 0.37500000000000 39.098 > 8 92 K 0.50000000000000 0.74576316144954 0.37500000000000 39.098 > 8 93 K 0.83333333333333 0.74576316144954 0.37500000000000 39.098 > 8 94 K 0.16666666666667 0.74576316144954 0.87500000000000 39.098 > 8 95 K 0.50000000000000 0.74576316144954 0.87500000000000 39.098 > 8 96 K 0.83333333333333 0.74576316144954 0.87500000000000 39.098 > 8 *97 Cu 0.00000000000000 0.03235343038943 0.12500000000000 63.546 > 9 98 Cu 0.33333333333333 0.03235343038943 0.12500000000000 63.546 > 9 99 Cu 0.66666666666667 0.03235343038943 0.12500000000000 63.546 > 9 100 Cu 0.00000000000000 0.03235343038943 0.62500000000000 63.546 > 9 101 Cu 0.33333333333333 0.03235343038943 0.62500000000000 63.546 > 9 102 Cu 0.66666666666667 0.03235343038943 0.62500000000000 63.546 > 9 103 Cu 0.16666666666667 0.46764656961057 0.37500000000000 63.546 > 10 104 Cu 0.50000000000000 0.46764656961057 0.37500000000000 63.546 > 10 105 Cu 0.83333333333333 0.46764656961057 0.37500000000000 63.546 > 10 106 Cu 0.16666666666667 0.46764656961057 0.87500000000000 63.546 > 10 107 Cu 0.50000000000000 0.46764656961057 0.87500000000000 63.546 > 10 108 Cu 0.83333333333333 0.46764656961057 0.87500000000000 63.546 > 10 109 Cu 0.16666666666667 0.53235343038943 0.12500000000000 63.546 > 9 110 Cu 0.50000000000000 0.53235343038943 0.12500000000000 63.546 > 9 111 Cu 0.83333333333333 0.53235343038943 0.12500000000000 63.546 > 9 112 Cu 0.16666666666667 0.53235343038943 0.62500000000000 63.546 > 9 113 Cu 0.50000000000000 0.53235343038943 0.62500000000000 63.546 > 9 114 Cu 0.83333333333333 0.53235343038943 0.62500000000000 63.546 > 9 115 Cu 0.00000000000000 0.96764656961057 0.37500000000000 63.546 > 10 116 Cu 0.33333333333333 0.96764656961057 0.37500000000000 63.546 > 10 117 Cu 0.66666666666667 0.96764656961057 0.37500000000000 63.546 > 10 118 Cu 0.00000000000000 0.96764656961057 0.87500000000000 63.546 > 10 119 Cu 0.33333333333333 0.96764656961057 0.87500000000000 63.546 > 10 120 Cu 0.66666666666667 0.96764656961057 0.87500000000000 63.546 > 10 *121 Zr 0.16666666666667 0.00000000000000 0.00000000000000 91.224 > 11 122 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 > 11 123 Zr 0.83333333333333 0.00000000000000 0.00000000000000 91.224 > 11 124 Zr 0.16666666666667 0.00000000000000 0.50000000000000 91.224 > 11 125 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 11 126 Zr 0.83333333333333 0.00000000000000 0.50000000000000 91.224 > 11 127 Zr 0.16666666666667 0.00000000000000 0.25000000000000 91.224 > 12 128 Zr 0.50000000000000 0.00000000000000 0.25000000000000 91.224 > 12 129 Zr 0.83333333333333 0.00000000000000 0.25000000000000 91.224 > 12 130 Zr 0.16666666666667 0.00000000000000 0.75000000000000 91.224 > 12 131 Zr 0.50000000000000 0.00000000000000 0.75000000000000 91.224 > 12 132 Zr 0.83333333333333 0.00000000000000 0.75000000000000 91.224 > 12 133 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 11 134 Zr 0.33333333333333 0.50000000000000 0.00000000000000 91.224 > 11 135 Zr 0.66666666666667 0.50000000000000 0.00000000000000 91.224 > 11 136 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 11 137 Zr 0.33333333333333 0.50000000000000 0.50000000000000 91.224 > 11 138 Zr 0.66666666666667 0.50000000000000 0.50000000000000 91.224 > 11 139 Zr 0.00000000000000 0.50000000000000 0.25000000000000 91.224 > 12 140 Zr 0.33333333333333 0.50000000000000 0.25000000000000 91.224 > 12 141 Zr 0.66666666666667 0.50000000000000 0.25000000000000 91.224 > 12 142 Zr 0.00000000000000 0.50000000000000 0.75000000000000 91.224 > 12 143 Zr 0.33333333333333 0.50000000000000 0.75000000000000 91.224 > 12 144 Zr 0.66666666666667 0.50000000000000 0.75000000000000 91.224 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.7164497 0.0000000 0.0000000 0.0000000 4.8092043 0.0000000 0.0000000 0.0000000 10.7754202 -------------------------- Born effective charges -------------------------- 1 S -0.9228050 0.0000000 0.0000000 0.0000000 -0.9059430 0.0000000 0.0000000 0.0000000 -5.4432169 2 S -0.9228050 0.0000000 0.0000000 0.0000000 -0.9059430 0.0000000 0.0000000 0.0000000 -5.4432169 3 S -5.0922998 0.0000000 0.0000000 0.0000000 -1.5707695 0.1713649 0.0000000 0.1939022 -1.8149303 4 S -5.0922998 0.0000000 0.0000000 0.0000000 -1.5707695 -0.1713649 0.0000000 -0.1939022 -1.8149303 5 S -5.0922998 0.0000000 0.0000000 0.0000000 -1.5707695 -0.1713649 0.0000000 -0.1939022 -1.8149303 6 S -5.0922998 0.0000000 0.0000000 0.0000000 -1.5707695 0.1713649 0.0000000 0.1939022 -1.8149303 7 K 1.1297424 0.0000000 0.0000000 0.0000000 1.9407778 0.0000000 0.0000000 0.0000000 1.2732940 8 K 1.1297424 0.0000000 0.0000000 0.0000000 1.9407778 0.0000000 0.0000000 0.0000000 1.2732940 9 Cu 0.3413168 0.0000000 0.0000000 0.0000000 0.1269120 0.0000000 0.0000000 0.0000000 -0.5646441 10 Cu 0.3413168 0.0000000 0.0000000 0.0000000 0.1269120 0.0000000 0.0000000 0.0000000 -0.5646441 11 Zr 9.6363454 0.0000000 0.0000000 0.0000000 1.9797922 0.2489748 0.0000000 -0.3221860 8.3644276 12 Zr 9.6363454 0.0000000 0.0000000 0.0000000 1.9797922 -0.2489748 0.0000000 0.3221860 8.3644276 ---------------------------------------------------------------------------- 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): 0.004 Solver_block: 100 / 240 - Time: 0.324 Solver_block: 200 / 240 - Time: 0.330 Solver_block: 240 / 240 - Time: 0.184 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.857 --------------------------------- 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 2026-01-07 23:18:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:18:01]------------------------- Compiled with OpenMP support (max 48 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 1.856416890000000 -7.029159190000000 0.000000000000000 b 1.856416890000000 7.029159190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.681131630000001 Atomic positions (fractional): 1 S 0.56488105588224 0.43511894411777 0.25000000000000 32.065 2 S 0.43511894411776 0.56488105588224 0.75000000000000 32.065 3 S 0.12104914736136 0.87895085263864 0.55469747574253 32.065 4 S 0.12104914736136 0.87895085263864 0.94530252425747 32.065 5 S 0.87895085263864 0.12104914736136 0.05469747574253 32.065 6 S 0.87895085263864 0.12104914736136 0.44530252425747 32.065 7 K 0.24576316144954 0.75423683855046 0.25000000000000 39.098 8 K 0.75423683855046 0.24576316144954 0.75000000000000 39.098 9 Cu 0.96764656961057 0.03235343038943 0.25000000000000 63.546 10 Cu 0.03235343038943 0.96764656961057 0.75000000000000 63.546 11 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 12 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.138501339999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.058318379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 19.362263260000002 Atomic positions (fractional): 1 S 0.00000000000000 0.43511894411777 0.12500000000000 32.065 > 1 2 S 0.33333333333333 0.43511894411777 0.12500000000000 32.065 > 1 3 S 0.66666666666667 0.43511894411777 0.12500000000000 32.065 > 1 4 S 0.00000000000000 0.43511894411777 0.62500000000000 32.065 > 1 5 S 0.33333333333333 0.43511894411777 0.62500000000000 32.065 > 1 6 S 0.66666666666667 0.43511894411777 0.62500000000000 32.065 > 1 7 S 0.16666666666667 0.06488105588224 0.37500000000000 32.065 > 7 8 S 0.50000000000000 0.06488105588224 0.37500000000000 32.065 > 7 9 S 0.83333333333333 0.06488105588224 0.37500000000000 32.065 > 7 10 S 0.16666666666667 0.06488105588224 0.87500000000000 32.065 > 7 11 S 0.50000000000000 0.06488105588224 0.87500000000000 32.065 > 7 12 S 0.83333333333333 0.06488105588224 0.87500000000000 32.065 > 7 13 S 0.16666666666667 0.37895085263864 0.27734873787127 32.065 > 13 14 S 0.50000000000000 0.37895085263864 0.27734873787127 32.065 > 13 15 S 0.83333333333333 0.37895085263864 0.27734873787127 32.065 > 13 16 S 0.16666666666667 0.37895085263864 0.77734873787127 32.065 > 13 17 S 0.50000000000000 0.37895085263864 0.77734873787127 32.065 > 13 18 S 0.83333333333333 0.37895085263864 0.77734873787127 32.065 > 13 19 S 0.16666666666667 0.37895085263864 0.47265126212873 32.065 > 19 20 S 0.50000000000000 0.37895085263864 0.47265126212873 32.065 > 19 21 S 0.83333333333333 0.37895085263864 0.47265126212873 32.065 > 19 22 S 0.16666666666667 0.37895085263864 0.97265126212873 32.065 > 19 23 S 0.50000000000000 0.37895085263864 0.97265126212873 32.065 > 19 24 S 0.83333333333333 0.37895085263864 0.97265126212873 32.065 > 19 25 S 0.00000000000000 0.12104914736136 0.02734873787127 32.065 > 25 26 S 0.33333333333333 0.12104914736136 0.02734873787127 32.065 > 25 27 S 0.66666666666667 0.12104914736136 0.02734873787127 32.065 > 25 28 S 0.00000000000000 0.12104914736136 0.52734873787127 32.065 > 25 29 S 0.33333333333333 0.12104914736136 0.52734873787127 32.065 > 25 30 S 0.66666666666667 0.12104914736136 0.52734873787127 32.065 > 25 31 S 0.00000000000000 0.12104914736136 0.22265126212873 32.065 > 31 32 S 0.33333333333333 0.12104914736136 0.22265126212873 32.065 > 31 33 S 0.66666666666667 0.12104914736136 0.22265126212873 32.065 > 31 34 S 0.00000000000000 0.12104914736136 0.72265126212873 32.065 > 31 35 S 0.33333333333333 0.12104914736136 0.72265126212873 32.065 > 31 36 S 0.66666666666667 0.12104914736136 0.72265126212873 32.065 > 31 37 S 0.16666666666667 0.93511894411776 0.12500000000000 32.065 > 1 38 S 0.50000000000000 0.93511894411776 0.12500000000000 32.065 > 1 39 S 0.83333333333333 0.93511894411776 0.12500000000000 32.065 > 1 40 S 0.16666666666667 0.93511894411776 0.62500000000000 32.065 > 1 41 S 0.50000000000000 0.93511894411776 0.62500000000000 32.065 > 1 42 S 0.83333333333333 0.93511894411776 0.62500000000000 32.065 > 1 43 S 0.00000000000000 0.56488105588224 0.37500000000000 32.065 > 7 44 S 0.33333333333333 0.56488105588224 0.37500000000000 32.065 > 7 45 S 0.66666666666667 0.56488105588224 0.37500000000000 32.065 > 7 46 S 0.00000000000000 0.56488105588224 0.87500000000000 32.065 > 7 47 S 0.33333333333333 0.56488105588224 0.87500000000000 32.065 > 7 48 S 0.66666666666667 0.56488105588224 0.87500000000000 32.065 > 7 49 S 0.00000000000000 0.87895085263864 0.27734873787127 32.065 > 13 50 S 0.33333333333333 0.87895085263864 0.27734873787127 32.065 > 13 51 S 0.66666666666667 0.87895085263864 0.27734873787127 32.065 > 13 52 S 0.00000000000000 0.87895085263864 0.77734873787127 32.065 > 13 53 S 0.33333333333333 0.87895085263864 0.77734873787127 32.065 > 13 54 S 0.66666666666667 0.87895085263864 0.77734873787127 32.065 > 13 55 S 0.00000000000000 0.87895085263864 0.47265126212873 32.065 > 19 56 S 0.33333333333333 0.87895085263864 0.47265126212873 32.065 > 19 57 S 0.66666666666667 0.87895085263864 0.47265126212873 32.065 > 19 58 S 0.00000000000000 0.87895085263864 0.97265126212873 32.065 > 19 59 S 0.33333333333333 0.87895085263864 0.97265126212873 32.065 > 19 60 S 0.66666666666667 0.87895085263864 0.97265126212873 32.065 > 19 61 S 0.16666666666667 0.62104914736136 0.02734873787127 32.065 > 25 62 S 0.50000000000000 0.62104914736136 0.02734873787127 32.065 > 25 63 S 0.83333333333333 0.62104914736136 0.02734873787127 32.065 > 25 64 S 0.16666666666667 0.62104914736136 0.52734873787127 32.065 > 25 65 S 0.50000000000000 0.62104914736136 0.52734873787127 32.065 > 25 66 S 0.83333333333333 0.62104914736136 0.52734873787127 32.065 > 25 67 S 0.16666666666667 0.62104914736136 0.22265126212873 32.065 > 31 68 S 0.50000000000000 0.62104914736136 0.22265126212873 32.065 > 31 69 S 0.83333333333333 0.62104914736136 0.22265126212873 32.065 > 31 70 S 0.16666666666667 0.62104914736136 0.72265126212873 32.065 > 31 71 S 0.50000000000000 0.62104914736136 0.72265126212873 32.065 > 31 72 S 0.83333333333333 0.62104914736136 0.72265126212873 32.065 > 31 73 K 0.16666666666667 0.25423683855046 0.12500000000000 39.098 > 73 74 K 0.50000000000000 0.25423683855046 0.12500000000000 39.098 > 73 75 K 0.83333333333333 0.25423683855046 0.12500000000000 39.098 > 73 76 K 0.16666666666667 0.25423683855046 0.62500000000000 39.098 > 73 77 K 0.50000000000000 0.25423683855046 0.62500000000000 39.098 > 73 78 K 0.83333333333333 0.25423683855046 0.62500000000000 39.098 > 73 79 K 0.00000000000000 0.24576316144954 0.37500000000000 39.098 > 79 80 K 0.33333333333333 0.24576316144954 0.37500000000000 39.098 > 79 81 K 0.66666666666667 0.24576316144954 0.37500000000000 39.098 > 79 82 K 0.00000000000000 0.24576316144954 0.87500000000000 39.098 > 79 83 K 0.33333333333333 0.24576316144954 0.87500000000000 39.098 > 79 84 K 0.66666666666667 0.24576316144954 0.87500000000000 39.098 > 79 85 K 0.00000000000000 0.75423683855046 0.12500000000000 39.098 > 73 86 K 0.33333333333333 0.75423683855046 0.12500000000000 39.098 > 73 87 K 0.66666666666667 0.75423683855046 0.12500000000000 39.098 > 73 88 K 0.00000000000000 0.75423683855046 0.62500000000000 39.098 > 73 89 K 0.33333333333333 0.75423683855046 0.62500000000000 39.098 > 73 90 K 0.66666666666667 0.75423683855046 0.62500000000000 39.098 > 73 91 K 0.16666666666667 0.74576316144954 0.37500000000000 39.098 > 79 92 K 0.50000000000000 0.74576316144954 0.37500000000000 39.098 > 79 93 K 0.83333333333333 0.74576316144954 0.37500000000000 39.098 > 79 94 K 0.16666666666667 0.74576316144954 0.87500000000000 39.098 > 79 95 K 0.50000000000000 0.74576316144954 0.87500000000000 39.098 > 79 96 K 0.83333333333333 0.74576316144954 0.87500000000000 39.098 > 79 97 Cu 0.00000000000000 0.03235343038943 0.12500000000000 63.546 > 97 98 Cu 0.33333333333333 0.03235343038943 0.12500000000000 63.546 > 97 99 Cu 0.66666666666667 0.03235343038943 0.12500000000000 63.546 > 97 100 Cu 0.00000000000000 0.03235343038943 0.62500000000000 63.546 > 97 101 Cu 0.33333333333333 0.03235343038943 0.62500000000000 63.546 > 97 102 Cu 0.66666666666667 0.03235343038943 0.62500000000000 63.546 > 97 103 Cu 0.16666666666667 0.46764656961057 0.37500000000000 63.546 > 103 104 Cu 0.50000000000000 0.46764656961057 0.37500000000000 63.546 > 103 105 Cu 0.83333333333333 0.46764656961057 0.37500000000000 63.546 > 103 106 Cu 0.16666666666667 0.46764656961057 0.87500000000000 63.546 > 103 107 Cu 0.50000000000000 0.46764656961057 0.87500000000000 63.546 > 103 108 Cu 0.83333333333333 0.46764656961057 0.87500000000000 63.546 > 103 109 Cu 0.16666666666667 0.53235343038943 0.12500000000000 63.546 > 97 110 Cu 0.50000000000000 0.53235343038943 0.12500000000000 63.546 > 97 111 Cu 0.83333333333333 0.53235343038943 0.12500000000000 63.546 > 97 112 Cu 0.16666666666667 0.53235343038943 0.62500000000000 63.546 > 97 113 Cu 0.50000000000000 0.53235343038943 0.62500000000000 63.546 > 97 114 Cu 0.83333333333333 0.53235343038943 0.62500000000000 63.546 > 97 115 Cu 0.00000000000000 0.96764656961057 0.37500000000000 63.546 > 103 116 Cu 0.33333333333333 0.96764656961057 0.37500000000000 63.546 > 103 117 Cu 0.66666666666667 0.96764656961057 0.37500000000000 63.546 > 103 118 Cu 0.00000000000000 0.96764656961057 0.87500000000000 63.546 > 103 119 Cu 0.33333333333333 0.96764656961057 0.87500000000000 63.546 > 103 120 Cu 0.66666666666667 0.96764656961057 0.87500000000000 63.546 > 103 121 Zr 0.16666666666667 0.00000000000000 0.00000000000000 91.224 > 121 122 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 > 121 123 Zr 0.83333333333333 0.00000000000000 0.00000000000000 91.224 > 121 124 Zr 0.16666666666667 0.00000000000000 0.50000000000000 91.224 > 121 125 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 121 126 Zr 0.83333333333333 0.00000000000000 0.50000000000000 91.224 > 121 127 Zr 0.16666666666667 0.00000000000000 0.25000000000000 91.224 > 127 128 Zr 0.50000000000000 0.00000000000000 0.25000000000000 91.224 > 127 129 Zr 0.83333333333333 0.00000000000000 0.25000000000000 91.224 > 127 130 Zr 0.16666666666667 0.00000000000000 0.75000000000000 91.224 > 127 131 Zr 0.50000000000000 0.00000000000000 0.75000000000000 91.224 > 127 132 Zr 0.83333333333333 0.00000000000000 0.75000000000000 91.224 > 127 133 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 121 134 Zr 0.33333333333333 0.50000000000000 0.00000000000000 91.224 > 121 135 Zr 0.66666666666667 0.50000000000000 0.00000000000000 91.224 > 121 136 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 121 137 Zr 0.33333333333333 0.50000000000000 0.50000000000000 91.224 > 121 138 Zr 0.66666666666667 0.50000000000000 0.50000000000000 91.224 > 121 139 Zr 0.00000000000000 0.50000000000000 0.25000000000000 91.224 > 127 140 Zr 0.33333333333333 0.50000000000000 0.25000000000000 91.224 > 127 141 Zr 0.66666666666667 0.50000000000000 0.25000000000000 91.224 > 127 142 Zr 0.00000000000000 0.50000000000000 0.75000000000000 91.224 > 127 143 Zr 0.33333333333333 0.50000000000000 0.75000000000000 91.224 > 127 144 Zr 0.66666666666667 0.50000000000000 0.75000000000000 91.224 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.7164497 0.0000000 0.0000000 0.0000000 4.8092043 0.0000000 0.0000000 0.0000000 10.7754202 -------------------------- Born effective charges -------------------------- 1 S -0.9228050 0.0000000 0.0000000 0.0000000 -0.9059430 0.0000000 0.0000000 0.0000000 -5.4432169 2 S -0.9228050 0.0000000 0.0000000 0.0000000 -0.9059430 0.0000000 0.0000000 0.0000000 -5.4432169 3 S -5.0922998 0.0000000 0.0000000 0.0000000 -1.5707695 0.1713649 0.0000000 0.1939022 -1.8149303 4 S -5.0922998 0.0000000 0.0000000 0.0000000 -1.5707695 -0.1713649 0.0000000 -0.1939022 -1.8149303 5 S -5.0922998 0.0000000 0.0000000 0.0000000 -1.5707695 -0.1713649 0.0000000 -0.1939022 -1.8149303 6 S -5.0922998 0.0000000 0.0000000 0.0000000 -1.5707695 0.1713649 0.0000000 0.1939022 -1.8149303 7 K 1.1297424 0.0000000 0.0000000 0.0000000 1.9407778 0.0000000 0.0000000 0.0000000 1.2732940 8 K 1.1297424 0.0000000 0.0000000 0.0000000 1.9407778 0.0000000 0.0000000 0.0000000 1.2732940 9 Cu 0.3413168 0.0000000 0.0000000 0.0000000 0.1269120 0.0000000 0.0000000 0.0000000 -0.5646441 10 Cu 0.3413168 0.0000000 0.0000000 0.0000000 0.1269120 0.0000000 0.0000000 0.0000000 -0.5646441 11 Zr 9.6363454 0.0000000 0.0000000 0.0000000 1.9797922 0.2489748 0.0000000 -0.3221860 8.3644276 12 Zr 9.6363454 0.0000000 0.0000000 0.0000000 1.9797922 -0.2489748 0.0000000 0.3221860 8.3644276 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:18:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:18:16]------------------------- Compiled with OpenMP support (max 48 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 1.856416890000000 -7.029159190000000 0.000000000000000 b 1.856416890000000 7.029159190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.681131630000001 Atomic positions (fractional): 1 S 0.56488105588224 0.43511894411777 0.25000000000000 32.065 2 S 0.43511894411776 0.56488105588224 0.75000000000000 32.065 3 S 0.12104914736136 0.87895085263864 0.55469747574253 32.065 4 S 0.12104914736136 0.87895085263864 0.94530252425747 32.065 5 S 0.87895085263864 0.12104914736136 0.05469747574253 32.065 6 S 0.87895085263864 0.12104914736136 0.44530252425747 32.065 7 K 0.24576316144954 0.75423683855046 0.25000000000000 39.098 8 K 0.75423683855046 0.24576316144954 0.75000000000000 39.098 9 Cu 0.96764656961057 0.03235343038943 0.25000000000000 63.546 10 Cu 0.03235343038943 0.96764656961057 0.75000000000000 63.546 11 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 12 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.138501339999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.058318379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 19.362263260000002 Atomic positions (fractional): 1 S 0.00000000000000 0.43511894411777 0.12500000000000 32.065 > 1 2 S 0.33333333333333 0.43511894411777 0.12500000000000 32.065 > 1 3 S 0.66666666666667 0.43511894411777 0.12500000000000 32.065 > 1 4 S 0.00000000000000 0.43511894411777 0.62500000000000 32.065 > 1 5 S 0.33333333333333 0.43511894411777 0.62500000000000 32.065 > 1 6 S 0.66666666666667 0.43511894411777 0.62500000000000 32.065 > 1 7 S 0.16666666666667 0.06488105588224 0.37500000000000 32.065 > 7 8 S 0.50000000000000 0.06488105588224 0.37500000000000 32.065 > 7 9 S 0.83333333333333 0.06488105588224 0.37500000000000 32.065 > 7 10 S 0.16666666666667 0.06488105588224 0.87500000000000 32.065 > 7 11 S 0.50000000000000 0.06488105588224 0.87500000000000 32.065 > 7 12 S 0.83333333333333 0.06488105588224 0.87500000000000 32.065 > 7 13 S 0.16666666666667 0.37895085263864 0.27734873787127 32.065 > 13 14 S 0.50000000000000 0.37895085263864 0.27734873787127 32.065 > 13 15 S 0.83333333333333 0.37895085263864 0.27734873787127 32.065 > 13 16 S 0.16666666666667 0.37895085263864 0.77734873787127 32.065 > 13 17 S 0.50000000000000 0.37895085263864 0.77734873787127 32.065 > 13 18 S 0.83333333333333 0.37895085263864 0.77734873787127 32.065 > 13 19 S 0.16666666666667 0.37895085263864 0.47265126212873 32.065 > 19 20 S 0.50000000000000 0.37895085263864 0.47265126212873 32.065 > 19 21 S 0.83333333333333 0.37895085263864 0.47265126212873 32.065 > 19 22 S 0.16666666666667 0.37895085263864 0.97265126212873 32.065 > 19 23 S 0.50000000000000 0.37895085263864 0.97265126212873 32.065 > 19 24 S 0.83333333333333 0.37895085263864 0.97265126212873 32.065 > 19 25 S 0.00000000000000 0.12104914736136 0.02734873787127 32.065 > 25 26 S 0.33333333333333 0.12104914736136 0.02734873787127 32.065 > 25 27 S 0.66666666666667 0.12104914736136 0.02734873787127 32.065 > 25 28 S 0.00000000000000 0.12104914736136 0.52734873787127 32.065 > 25 29 S 0.33333333333333 0.12104914736136 0.52734873787127 32.065 > 25 30 S 0.66666666666667 0.12104914736136 0.52734873787127 32.065 > 25 31 S 0.00000000000000 0.12104914736136 0.22265126212873 32.065 > 31 32 S 0.33333333333333 0.12104914736136 0.22265126212873 32.065 > 31 33 S 0.66666666666667 0.12104914736136 0.22265126212873 32.065 > 31 34 S 0.00000000000000 0.12104914736136 0.72265126212873 32.065 > 31 35 S 0.33333333333333 0.12104914736136 0.72265126212873 32.065 > 31 36 S 0.66666666666667 0.12104914736136 0.72265126212873 32.065 > 31 37 S 0.16666666666667 0.93511894411776 0.12500000000000 32.065 > 1 38 S 0.50000000000000 0.93511894411776 0.12500000000000 32.065 > 1 39 S 0.83333333333333 0.93511894411776 0.12500000000000 32.065 > 1 40 S 0.16666666666667 0.93511894411776 0.62500000000000 32.065 > 1 41 S 0.50000000000000 0.93511894411776 0.62500000000000 32.065 > 1 42 S 0.83333333333333 0.93511894411776 0.62500000000000 32.065 > 1 43 S 0.00000000000000 0.56488105588224 0.37500000000000 32.065 > 7 44 S 0.33333333333333 0.56488105588224 0.37500000000000 32.065 > 7 45 S 0.66666666666667 0.56488105588224 0.37500000000000 32.065 > 7 46 S 0.00000000000000 0.56488105588224 0.87500000000000 32.065 > 7 47 S 0.33333333333333 0.56488105588224 0.87500000000000 32.065 > 7 48 S 0.66666666666667 0.56488105588224 0.87500000000000 32.065 > 7 49 S 0.00000000000000 0.87895085263864 0.27734873787127 32.065 > 13 50 S 0.33333333333333 0.87895085263864 0.27734873787127 32.065 > 13 51 S 0.66666666666667 0.87895085263864 0.27734873787127 32.065 > 13 52 S 0.00000000000000 0.87895085263864 0.77734873787127 32.065 > 13 53 S 0.33333333333333 0.87895085263864 0.77734873787127 32.065 > 13 54 S 0.66666666666667 0.87895085263864 0.77734873787127 32.065 > 13 55 S 0.00000000000000 0.87895085263864 0.47265126212873 32.065 > 19 56 S 0.33333333333333 0.87895085263864 0.47265126212873 32.065 > 19 57 S 0.66666666666667 0.87895085263864 0.47265126212873 32.065 > 19 58 S 0.00000000000000 0.87895085263864 0.97265126212873 32.065 > 19 59 S 0.33333333333333 0.87895085263864 0.97265126212873 32.065 > 19 60 S 0.66666666666667 0.87895085263864 0.97265126212873 32.065 > 19 61 S 0.16666666666667 0.62104914736136 0.02734873787127 32.065 > 25 62 S 0.50000000000000 0.62104914736136 0.02734873787127 32.065 > 25 63 S 0.83333333333333 0.62104914736136 0.02734873787127 32.065 > 25 64 S 0.16666666666667 0.62104914736136 0.52734873787127 32.065 > 25 65 S 0.50000000000000 0.62104914736136 0.52734873787127 32.065 > 25 66 S 0.83333333333333 0.62104914736136 0.52734873787127 32.065 > 25 67 S 0.16666666666667 0.62104914736136 0.22265126212873 32.065 > 31 68 S 0.50000000000000 0.62104914736136 0.22265126212873 32.065 > 31 69 S 0.83333333333333 0.62104914736136 0.22265126212873 32.065 > 31 70 S 0.16666666666667 0.62104914736136 0.72265126212873 32.065 > 31 71 S 0.50000000000000 0.62104914736136 0.72265126212873 32.065 > 31 72 S 0.83333333333333 0.62104914736136 0.72265126212873 32.065 > 31 73 K 0.16666666666667 0.25423683855046 0.12500000000000 39.098 > 73 74 K 0.50000000000000 0.25423683855046 0.12500000000000 39.098 > 73 75 K 0.83333333333333 0.25423683855046 0.12500000000000 39.098 > 73 76 K 0.16666666666667 0.25423683855046 0.62500000000000 39.098 > 73 77 K 0.50000000000000 0.25423683855046 0.62500000000000 39.098 > 73 78 K 0.83333333333333 0.25423683855046 0.62500000000000 39.098 > 73 79 K 0.00000000000000 0.24576316144954 0.37500000000000 39.098 > 79 80 K 0.33333333333333 0.24576316144954 0.37500000000000 39.098 > 79 81 K 0.66666666666667 0.24576316144954 0.37500000000000 39.098 > 79 82 K 0.00000000000000 0.24576316144954 0.87500000000000 39.098 > 79 83 K 0.33333333333333 0.24576316144954 0.87500000000000 39.098 > 79 84 K 0.66666666666667 0.24576316144954 0.87500000000000 39.098 > 79 85 K 0.00000000000000 0.75423683855046 0.12500000000000 39.098 > 73 86 K 0.33333333333333 0.75423683855046 0.12500000000000 39.098 > 73 87 K 0.66666666666667 0.75423683855046 0.12500000000000 39.098 > 73 88 K 0.00000000000000 0.75423683855046 0.62500000000000 39.098 > 73 89 K 0.33333333333333 0.75423683855046 0.62500000000000 39.098 > 73 90 K 0.66666666666667 0.75423683855046 0.62500000000000 39.098 > 73 91 K 0.16666666666667 0.74576316144954 0.37500000000000 39.098 > 79 92 K 0.50000000000000 0.74576316144954 0.37500000000000 39.098 > 79 93 K 0.83333333333333 0.74576316144954 0.37500000000000 39.098 > 79 94 K 0.16666666666667 0.74576316144954 0.87500000000000 39.098 > 79 95 K 0.50000000000000 0.74576316144954 0.87500000000000 39.098 > 79 96 K 0.83333333333333 0.74576316144954 0.87500000000000 39.098 > 79 97 Cu 0.00000000000000 0.03235343038943 0.12500000000000 63.546 > 97 98 Cu 0.33333333333333 0.03235343038943 0.12500000000000 63.546 > 97 99 Cu 0.66666666666667 0.03235343038943 0.12500000000000 63.546 > 97 100 Cu 0.00000000000000 0.03235343038943 0.62500000000000 63.546 > 97 101 Cu 0.33333333333333 0.03235343038943 0.62500000000000 63.546 > 97 102 Cu 0.66666666666667 0.03235343038943 0.62500000000000 63.546 > 97 103 Cu 0.16666666666667 0.46764656961057 0.37500000000000 63.546 > 103 104 Cu 0.50000000000000 0.46764656961057 0.37500000000000 63.546 > 103 105 Cu 0.83333333333333 0.46764656961057 0.37500000000000 63.546 > 103 106 Cu 0.16666666666667 0.46764656961057 0.87500000000000 63.546 > 103 107 Cu 0.50000000000000 0.46764656961057 0.87500000000000 63.546 > 103 108 Cu 0.83333333333333 0.46764656961057 0.87500000000000 63.546 > 103 109 Cu 0.16666666666667 0.53235343038943 0.12500000000000 63.546 > 97 110 Cu 0.50000000000000 0.53235343038943 0.12500000000000 63.546 > 97 111 Cu 0.83333333333333 0.53235343038943 0.12500000000000 63.546 > 97 112 Cu 0.16666666666667 0.53235343038943 0.62500000000000 63.546 > 97 113 Cu 0.50000000000000 0.53235343038943 0.62500000000000 63.546 > 97 114 Cu 0.83333333333333 0.53235343038943 0.62500000000000 63.546 > 97 115 Cu 0.00000000000000 0.96764656961057 0.37500000000000 63.546 > 103 116 Cu 0.33333333333333 0.96764656961057 0.37500000000000 63.546 > 103 117 Cu 0.66666666666667 0.96764656961057 0.37500000000000 63.546 > 103 118 Cu 0.00000000000000 0.96764656961057 0.87500000000000 63.546 > 103 119 Cu 0.33333333333333 0.96764656961057 0.87500000000000 63.546 > 103 120 Cu 0.66666666666667 0.96764656961057 0.87500000000000 63.546 > 103 121 Zr 0.16666666666667 0.00000000000000 0.00000000000000 91.224 > 121 122 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 > 121 123 Zr 0.83333333333333 0.00000000000000 0.00000000000000 91.224 > 121 124 Zr 0.16666666666667 0.00000000000000 0.50000000000000 91.224 > 121 125 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 121 126 Zr 0.83333333333333 0.00000000000000 0.50000000000000 91.224 > 121 127 Zr 0.16666666666667 0.00000000000000 0.25000000000000 91.224 > 127 128 Zr 0.50000000000000 0.00000000000000 0.25000000000000 91.224 > 127 129 Zr 0.83333333333333 0.00000000000000 0.25000000000000 91.224 > 127 130 Zr 0.16666666666667 0.00000000000000 0.75000000000000 91.224 > 127 131 Zr 0.50000000000000 0.00000000000000 0.75000000000000 91.224 > 127 132 Zr 0.83333333333333 0.00000000000000 0.75000000000000 91.224 > 127 133 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 121 134 Zr 0.33333333333333 0.50000000000000 0.00000000000000 91.224 > 121 135 Zr 0.66666666666667 0.50000000000000 0.00000000000000 91.224 > 121 136 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 121 137 Zr 0.33333333333333 0.50000000000000 0.50000000000000 91.224 > 121 138 Zr 0.66666666666667 0.50000000000000 0.50000000000000 91.224 > 121 139 Zr 0.00000000000000 0.50000000000000 0.25000000000000 91.224 > 127 140 Zr 0.33333333333333 0.50000000000000 0.25000000000000 91.224 > 127 141 Zr 0.66666666666667 0.50000000000000 0.25000000000000 91.224 > 127 142 Zr 0.00000000000000 0.50000000000000 0.75000000000000 91.224 > 127 143 Zr 0.33333333333333 0.50000000000000 0.75000000000000 91.224 > 127 144 Zr 0.66666666666667 0.50000000000000 0.75000000000000 91.224 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 14.7164497 0.0000000 0.0000000 0.0000000 4.8092043 0.0000000 0.0000000 0.0000000 10.7754202 -------------------------- Born effective charges -------------------------- 1 S -0.9228050 0.0000000 0.0000000 0.0000000 -0.9059430 0.0000000 0.0000000 0.0000000 -5.4432169 2 S -0.9228050 0.0000000 0.0000000 0.0000000 -0.9059430 0.0000000 0.0000000 0.0000000 -5.4432169 3 S -5.0922998 0.0000000 0.0000000 0.0000000 -1.5707695 0.1713649 0.0000000 0.1939022 -1.8149303 4 S -5.0922998 0.0000000 0.0000000 0.0000000 -1.5707695 -0.1713649 0.0000000 -0.1939022 -1.8149303 5 S -5.0922998 0.0000000 0.0000000 0.0000000 -1.5707695 -0.1713649 0.0000000 -0.1939022 -1.8149303 6 S -5.0922998 0.0000000 0.0000000 0.0000000 -1.5707695 0.1713649 0.0000000 0.1939022 -1.8149303 7 K 1.1297424 0.0000000 0.0000000 0.0000000 1.9407778 0.0000000 0.0000000 0.0000000 1.2732940 8 K 1.1297424 0.0000000 0.0000000 0.0000000 1.9407778 0.0000000 0.0000000 0.0000000 1.2732940 9 Cu 0.3413168 0.0000000 0.0000000 0.0000000 0.1269120 0.0000000 0.0000000 0.0000000 -0.5646441 10 Cu 0.3413168 0.0000000 0.0000000 0.0000000 0.1269120 0.0000000 0.0000000 0.0000000 -0.5646441 11 Zr 9.6363454 0.0000000 0.0000000 0.0000000 1.9797922 0.2489748 0.0000000 -0.3221860 8.3644276 12 Zr 9.6363454 0.0000000 0.0000000 0.0000000 1.9797922 -0.2489748 0.0000000 0.3221860 8.3644276 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) 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 ... [ 14 14 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 307, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.715 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.059 ( 0.000 0.000 0.000) 0.000 8.379 ( 0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 9.129 ( 0.000 0.000 0.000) 0.000 9.255 ( 0.000 0.000 0.000) 0.000 9.351 ( 0.000 0.000 0.000) 0.000 9.683 ( 0.000 0.000 0.000) 0.000 10.119 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 24.920 -7.461 0.000) 26.013 0.555 ( 27.642 -2.426 0.000) 27.749 1.157 ( 52.510 -4.529 0.000) 52.705 1.814 ( 4.449 -0.862 0.000) 4.532 2.228 ( 17.767 0.509 0.000) 17.775 2.422 ( 2.012 0.006 0.000) 2.012 2.483 ( 6.550 0.091 0.000) 6.551 2.671 ( 22.621 0.181 0.000) 22.621 2.746 ( 2.863 1.183 0.000) 3.098 2.961 ( 8.711 6.127 0.000) 10.650 3.165 ( 1.953 1.270 0.000) 2.330 3.214 ( 0.099 -5.175 0.000) 5.176 3.218 ( 9.969 0.556 0.000) 9.984 3.530 ( 0.678 2.076 0.000) 2.184 3.620 ( -3.411 -0.193 0.000) 3.416 3.784 ( -2.567 -0.047 0.000) 2.567 4.080 ( -3.402 0.089 0.000) 3.403 4.475 ( 44.457 -0.305 0.000) 44.458 5.432 ( -5.795 -1.073 0.000) 5.894 6.410 ( -2.633 -0.003 0.000) 2.633 6.961 ( 6.658 0.025 0.000) 6.658 7.011 ( 8.001 0.986 0.000) 8.062 7.590 ( -2.359 -0.015 0.000) 2.359 7.711 ( -0.081 0.675 0.000) 0.680 7.943 ( -5.310 -0.980 0.000) 5.400 8.065 ( 2.761 4.117 0.000) 4.957 8.089 ( 4.565 -0.714 0.000) 4.621 8.305 ( -1.643 8.845 0.000) 8.996 8.438 ( -3.965 -1.108 0.000) 4.117 8.530 ( -0.033 5.751 0.000) 5.751 8.866 ( 13.204 35.382 0.000) 37.765 9.131 ( 0.611 1.294 0.000) 1.431 9.332 ( -2.263 -1.583 0.000) 2.761 9.335 ( -10.200 -30.694 0.000) 32.345 9.638 ( -4.495 -0.266 0.000) 4.503 10.090 ( -2.848 0.004 0.000) 2.848 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 27.099 -3.685 0.000) 27.348 1.075 ( 24.897 -1.958 0.000) 24.974 1.926 ( 6.108 -1.308 0.000) 6.246 2.000 ( 32.670 -3.958 0.000) 32.909 2.418 ( 2.482 4.500 0.000) 5.139 2.497 ( 6.506 0.468 0.000) 6.522 2.640 ( 8.625 -1.063 0.000) 8.691 2.819 ( 4.969 0.965 0.000) 5.062 3.146 ( 7.888 5.788 0.000) 9.784 3.192 ( 4.218 0.422 0.000) 4.239 3.226 ( 18.814 -1.845 0.000) 18.904 3.360 ( 24.489 -1.329 0.000) 24.525 3.475 ( 15.973 2.853 0.000) 16.225 3.538 ( -5.257 -0.511 0.000) 5.281 3.564 ( 4.209 0.955 0.000) 4.316 3.752 ( 2.294 -0.655 0.000) 2.386 4.021 ( -2.306 -1.543 0.000) 2.774 5.318 ( -5.667 -1.672 0.000) 5.908 5.494 ( 56.380 -0.203 0.000) 56.380 6.375 ( -0.585 0.028 0.000) 0.586 7.094 ( 6.213 -0.050 0.000) 6.213 7.147 ( 4.787 0.165 0.000) 4.790 7.527 ( -3.945 -0.010 0.000) 3.945 7.713 ( 0.877 0.949 0.000) 1.292 7.808 ( -9.066 -1.691 0.000) 9.222 8.013 ( -7.228 2.932 0.000) 7.800 8.202 ( 3.664 -0.213 0.000) 3.671 8.273 ( 2.156 0.793 0.000) 2.297 8.362 ( -1.582 -0.876 0.000) 1.808 8.502 ( -0.574 2.800 0.000) 2.858 8.947 ( 8.841 18.890 0.000) 20.857 9.140 ( 1.285 2.620 0.000) 2.918 9.284 ( -3.734 -2.834 0.000) 4.688 9.298 ( -4.739 -14.023 0.000) 14.802 9.527 ( -6.737 -0.261 0.000) 6.742 10.022 ( -3.803 0.050 0.000) 3.804 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 19.878 -1.337 0.000) 19.923 1.542 ( 24.399 0.428 0.000) 24.403 2.043 ( 5.036 -0.930 0.000) 5.121 2.377 ( -2.346 4.851 0.000) 5.389 2.448 ( 13.191 -1.017 0.000) 13.230 2.702 ( 14.888 1.704 0.000) 14.985 2.794 ( 6.219 -0.517 0.000) 6.240 2.924 ( 6.689 1.683 0.000) 6.898 3.122 ( -1.499 3.041 0.000) 3.390 3.175 ( -5.202 -3.881 0.000) 6.490 3.426 ( -6.618 -0.807 0.000) 6.667 3.554 ( 5.920 2.176 0.000) 6.307 3.616 ( 7.817 -1.014 0.000) 7.882 3.674 ( 5.534 -2.115 0.000) 5.924 3.929 ( 3.844 2.196 0.000) 4.427 3.942 ( 31.021 1.746 0.000) 31.070 4.191 ( 24.759 -4.733 0.000) 25.207 5.261 ( -0.632 -1.236 0.000) 1.388 6.392 ( 2.577 -0.020 0.000) 2.577 6.515 ( 47.544 -0.144 0.000) 47.545 7.159 ( -3.752 -0.448 0.000) 3.778 7.178 ( 2.222 -0.011 0.000) 2.222 7.448 ( -3.968 0.056 0.000) 3.968 7.630 ( -9.697 -1.741 0.000) 9.852 7.738 ( 1.717 1.379 0.000) 2.202 7.813 ( -10.642 0.643 0.000) 10.661 8.137 ( -6.832 -0.527 0.000) 6.853 8.328 ( 2.502 -0.381 0.000) 2.531 8.471 ( -1.993 0.699 0.000) 2.112 8.484 ( 10.289 0.002 0.000) 10.289 9.010 ( 5.490 8.560 0.000) 10.169 9.142 ( -0.249 2.972 0.000) 2.983 9.232 ( -2.513 -2.658 0.000) 3.658 9.303 ( 0.154 -2.802 0.000) 2.807 9.400 ( -5.703 0.143 0.000) 5.705 9.961 ( -2.109 0.097 0.000) 2.112 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 13.590 -0.683 0.000) 13.607 1.930 ( 16.179 4.223 0.000) 16.721 2.119 ( 2.640 0.529 0.000) 2.693 2.314 ( -2.076 1.962 0.000) 2.856 2.622 ( 6.478 1.478 0.000) 6.645 2.869 ( 2.250 3.016 0.000) 3.763 2.951 ( 11.577 4.332 0.000) 12.361 2.991 ( -8.896 -1.041 0.000) 8.956 3.081 ( -2.884 -0.951 0.000) 3.037 3.092 ( 4.185 -0.832 0.000) 4.266 3.298 ( -6.814 -0.865 0.000) 6.869 3.571 ( 0.293 -1.858 0.000) 1.881 3.737 ( 0.564 -2.460 0.000) 2.524 3.821 ( 9.069 -0.283 0.000) 9.073 4.014 ( 5.996 -3.957 0.000) 7.184 4.465 ( 23.487 1.518 0.000) 23.536 4.699 ( 22.862 -2.465 0.000) 22.995 5.306 ( 4.640 -0.076 0.000) 4.641 6.465 ( 4.882 -0.279 0.000) 4.890 7.022 ( -9.909 -0.058 0.000) 9.910 7.178 ( -2.005 0.130 0.000) 2.009 7.287 ( 29.753 -0.172 0.000) 29.753 7.394 ( 1.162 0.233 0.000) 1.185 7.472 ( -7.048 -1.000 0.000) 7.118 7.595 ( -9.278 0.400 0.000) 9.287 7.797 ( 2.718 0.501 0.000) 2.764 8.029 ( -3.625 -0.499 0.000) 3.659 8.348 ( -1.231 -1.497 0.000) 1.938 8.419 ( -2.514 0.592 0.000) 2.583 8.685 ( 10.036 0.688 0.000) 10.060 9.089 ( 5.780 2.716 0.000) 6.387 9.091 ( -3.564 0.175 0.000) 3.568 9.222 ( 0.450 0.765 0.000) 0.888 9.259 ( -4.599 0.265 0.000) 4.607 9.367 ( 1.843 3.006 0.000) 3.526 9.948 ( 0.852 0.100 0.000) 0.858 ======================= Grid point 5 (6/171) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 6.832 -0.124 0.000) 6.833 2.078 ( 0.716 6.628 0.000) 6.666 2.146 ( 1.048 1.347 0.000) 1.707 2.278 ( -1.650 -1.013 0.000) 1.936 2.692 ( 2.410 3.321 0.000) 4.103 2.708 ( -17.574 -1.476 0.000) 17.636 2.854 ( -2.392 2.482 0.000) 3.447 2.999 ( -2.984 -0.673 0.000) 3.059 3.146 ( 10.317 4.629 0.000) 11.308 3.176 ( -4.770 -0.569 0.000) 4.804 3.237 ( 6.736 0.289 0.000) 6.742 3.606 ( 1.959 -3.043 0.000) 3.619 3.747 ( -1.223 -5.739 0.000) 5.868 3.961 ( 4.954 -0.116 0.000) 4.955 4.167 ( 6.931 -4.049 0.000) 8.027 4.817 ( 13.738 1.042 0.000) 13.777 5.056 ( 12.983 -1.231 0.000) 13.041 5.425 ( 7.372 0.270 0.000) 7.377 6.574 ( 5.894 -0.391 0.000) 5.907 6.811 ( -10.906 0.777 0.000) 10.934 7.113 ( -4.112 0.081 0.000) 4.112 7.364 ( -0.191 0.218 0.000) 0.290 7.366 ( -3.267 0.123 0.000) 3.269 7.458 ( -4.818 -0.188 0.000) 4.821 7.811 ( 20.065 -0.159 0.000) 20.066 7.829 ( 0.756 -0.125 0.000) 0.766 8.023 ( 2.357 -0.286 0.000) 2.374 8.300 ( -3.551 -0.803 0.000) 3.641 8.385 ( -1.179 -0.377 0.000) 1.238 8.849 ( 7.341 1.243 0.000) 7.445 9.022 ( -3.504 -0.741 0.000) 3.581 9.183 ( -2.210 0.453 0.000) 2.256 9.195 ( 5.126 0.803 0.000) 5.189 9.225 ( 0.400 1.873 0.000) 1.916 9.374 ( 0.290 3.572 0.000) 3.584 9.983 ( 2.396 0.088 0.000) 2.397 ======================= Grid point 6 (7/171) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -12.449 5.349 0.000) 13.550 2.085 ( -3.162 -0.295 0.000) 3.176 2.162 ( 0.856 0.198 0.000) 0.879 2.246 ( -2.778 -1.808 0.000) 3.314 2.439 ( -7.358 0.880 0.000) 7.410 2.709 ( 1.456 2.532 0.000) 2.921 2.796 ( -1.890 0.351 0.000) 1.922 2.979 ( 0.156 1.048 0.000) 1.059 3.097 ( -3.065 -0.493 0.000) 3.104 3.308 ( 7.605 2.248 0.000) 7.930 3.350 ( 4.356 0.209 0.000) 4.361 3.667 ( 2.882 -1.119 0.000) 3.092 3.745 ( -2.048 -5.197 0.000) 5.586 4.013 ( 0.813 0.030 0.000) 0.814 4.298 ( 4.446 -2.617 0.000) 5.159 4.995 ( 5.646 0.510 0.000) 5.669 5.221 ( 4.746 0.323 0.000) 4.757 5.560 ( 5.582 -0.326 0.000) 5.592 6.631 ( -6.611 0.928 0.000) 6.675 6.678 ( 4.219 -0.176 0.000) 4.223 7.040 ( -3.036 -0.209 0.000) 3.043 7.310 ( -1.773 0.581 0.000) 1.866 7.385 ( 1.349 0.179 0.000) 1.360 7.402 ( -1.571 -0.298 0.000) 1.599 7.842 ( 0.556 -0.457 0.000) 0.720 8.082 ( 2.726 -0.057 0.000) 2.727 8.096 ( 9.699 -0.111 0.000) 9.699 8.245 ( -2.094 -0.219 0.000) 2.106 8.370 ( -0.683 -0.683 0.000) 0.966 8.950 ( 3.717 1.046 0.000) 3.861 8.971 ( -2.062 -0.613 0.000) 2.151 9.155 ( -0.256 0.047 0.000) 0.260 9.218 ( -0.160 1.360 0.000) 1.369 9.281 ( 3.403 0.755 0.000) 3.486 9.345 ( -1.386 1.889 0.000) 2.343 10.025 ( 1.761 0.053 0.000) 1.762 ======================= Grid point 7 (8/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 0.000 -0.000 0.000) 0.000 2.020 ( 0.000 -0.000 0.000) 0.000 2.167 ( 0.000 -0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 -0.000 0.000) 0.000 2.719 ( -0.000 -0.000 0.000) 0.000 2.778 ( 0.000 -0.000 0.000) 0.000 2.978 ( -0.000 0.000 0.000) 0.000 3.069 ( 0.000 -0.000 0.000) 0.000 3.382 ( 0.000 -0.000 0.000) 0.000 3.393 ( 0.000 -0.000 0.000) 0.000 3.710 ( -0.000 -0.001 0.000) 0.001 3.727 ( 0.001 -0.000 0.000) 0.001 4.016 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 5.045 ( -0.000 -0.000 0.000) 0.000 5.262 ( 0.000 -0.000 0.000) 0.000 5.617 ( 0.000 -0.000 0.000) 0.000 6.563 ( 0.000 -0.000 0.000) 0.000 6.721 ( -0.000 0.000 0.000) 0.000 7.011 ( 0.000 -0.000 0.000) 0.000 7.291 ( 0.000 -0.000 0.000) 0.000 7.389 ( 0.000 -0.000 0.000) 0.000 7.400 ( -0.000 -0.000 0.000) 0.000 7.850 ( 0.000 -0.000 0.000) 0.000 8.110 ( -0.000 -0.000 0.000) 0.000 8.189 ( 0.000 -0.000 0.000) 0.000 8.226 ( 0.000 -0.000 0.000) 0.000 8.366 ( 0.000 -0.000 0.000) 0.000 8.952 ( 0.000 -0.000 0.000) 0.000 8.983 ( 0.000 -0.000 0.000) 0.000 9.157 ( 0.000 -0.000 0.000) 0.000 9.212 ( 0.000 -0.000 0.000) 0.000 9.307 ( -0.000 -0.000 0.000) 0.000 9.327 ( 0.000 -0.000 0.000) 0.000 10.043 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/171) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 28.714 0.000 0.000) 28.714 1.065 ( 25.286 0.000 0.000) 25.286 1.920 ( 6.246 0.000 0.000) 6.246 1.979 ( 33.531 0.000 0.000) 33.531 2.442 ( 2.851 0.000 0.000) 2.851 2.500 ( 6.636 0.000 0.000) 6.636 2.635 ( 8.560 0.000 0.000) 8.560 2.823 ( 4.938 0.000 0.000) 4.938 3.187 ( -0.352 -0.000 0.000) 0.352 3.194 ( -0.939 -0.000 0.000) 0.939 3.206 ( 27.265 0.000 0.000) 27.265 3.353 ( 29.042 0.000 0.000) 29.042 3.491 ( 16.162 0.000 0.000) 16.162 3.535 ( -5.288 -0.000 0.000) 5.288 3.570 ( 3.322 0.000 0.000) 3.322 3.748 ( 2.691 0.000 0.000) 2.691 4.012 ( -3.282 -0.000 0.000) 3.282 5.310 ( -5.496 -0.000 0.000) 5.496 5.493 ( 56.453 0.000 0.000) 56.453 6.375 ( -0.596 -0.000 0.000) 0.596 7.094 ( 6.208 0.000 0.000) 6.208 7.148 ( 4.487 0.000 0.000) 4.487 7.527 ( -3.932 -0.000 0.000) 3.932 7.718 ( 0.806 0.000 0.000) 0.806 7.799 ( -8.979 -0.000 0.000) 8.979 8.028 ( -8.040 -0.000 0.000) 8.040 8.200 ( 3.507 0.000 0.000) 3.507 8.277 ( 1.277 0.000 0.000) 1.277 8.357 ( -1.052 -0.000 0.000) 1.052 8.516 ( -1.662 -0.000 0.000) 1.662 9.132 ( 7.859 0.000 0.000) 7.859 9.140 ( -4.168 -0.000 0.000) 4.168 9.155 ( 1.554 0.000 0.000) 1.554 9.268 ( -3.888 -0.000 0.000) 3.888 9.525 ( -6.656 -0.000 0.000) 6.656 10.022 ( -3.794 -0.000 0.000) 3.794 ======================= Grid point 17 (10/171) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 20.253 -0.495 0.000) 20.259 1.547 ( 25.924 0.305 0.000) 25.926 2.037 ( 5.489 -0.312 0.000) 5.498 2.413 ( -3.439 1.924 0.000) 3.941 2.439 ( 14.474 -0.526 0.000) 14.483 2.713 ( 15.589 0.535 0.000) 15.598 2.788 ( 6.677 -0.460 0.000) 6.693 2.935 ( 6.739 0.527 0.000) 6.759 3.147 ( -5.004 -1.479 0.000) 5.218 3.149 ( -2.842 1.646 0.000) 3.284 3.420 ( -6.623 -0.304 0.000) 6.630 3.569 ( 2.389 0.610 0.000) 2.466 3.608 ( 11.036 -0.321 0.000) 11.041 3.659 ( 5.174 -0.750 0.000) 5.228 3.950 ( -1.626 1.378 0.000) 2.132 3.954 ( 30.853 0.614 0.000) 30.859 4.152 ( 28.844 -2.345 0.000) 28.939 5.253 ( -0.152 -0.443 0.000) 0.468 6.392 ( 2.381 -0.004 0.000) 2.381 6.514 ( 47.699 -0.056 0.000) 47.699 7.156 ( -3.719 -0.144 0.000) 3.722 7.178 ( 2.264 -0.005 0.000) 2.264 7.449 ( -3.925 0.036 0.000) 3.925 7.618 ( -9.386 -0.636 0.000) 9.407 7.747 ( 2.291 0.494 0.000) 2.344 7.818 ( -11.954 0.268 0.000) 11.957 8.133 ( -6.712 -0.214 0.000) 6.715 8.325 ( 2.160 -0.145 0.000) 2.165 8.476 ( -2.410 0.239 0.000) 2.422 8.484 ( 10.506 0.002 0.000) 10.506 9.076 ( 0.279 3.800 0.000) 3.811 9.172 ( -1.690 2.919 0.000) 3.373 9.204 ( -0.859 -2.806 0.000) 2.935 9.278 ( 4.699 -1.746 0.000) 5.013 9.401 ( -5.403 0.048 0.000) 5.403 9.961 ( -2.110 0.034 0.000) 2.111 ======================= Grid point 18 (11/171) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 13.897 -0.396 0.000) 13.903 1.966 ( 17.308 2.594 0.000) 17.501 2.123 ( 3.285 0.299 0.000) 3.299 2.332 ( -3.663 1.288 0.000) 3.883 2.633 ( 7.255 0.702 0.000) 7.289 2.881 ( 2.552 -0.026 0.000) 2.552 2.978 ( -11.368 -1.180 0.000) 11.429 2.992 ( 12.096 3.445 0.000) 12.577 3.079 ( -3.006 0.216 0.000) 3.014 3.089 ( 7.025 0.043 0.000) 7.025 3.291 ( -6.779 -0.543 0.000) 6.800 3.558 ( -0.035 -0.790 0.000) 0.791 3.712 ( -1.628 -2.126 0.000) 2.677 3.831 ( 9.767 1.816 0.000) 9.935 3.972 ( 4.834 -3.907 0.000) 6.215 4.477 ( 23.206 0.831 0.000) 23.221 4.679 ( 23.420 -1.344 0.000) 23.458 5.306 ( 5.105 -0.026 0.000) 5.106 6.463 ( 4.809 -0.157 0.000) 4.812 7.022 ( -9.604 -0.021 0.000) 9.604 7.179 ( -1.992 0.068 0.000) 1.993 7.286 ( 29.734 -0.097 0.000) 29.734 7.396 ( 1.336 0.171 0.000) 1.347 7.464 ( -6.643 -0.590 0.000) 6.669 7.599 ( -9.673 0.271 0.000) 9.677 7.800 ( 2.582 0.217 0.000) 2.591 8.025 ( -3.539 -0.226 0.000) 3.546 8.337 ( -1.356 -0.808 0.000) 1.579 8.424 ( -2.568 0.322 0.000) 2.589 8.690 ( 10.240 0.311 0.000) 10.244 9.093 ( -4.334 0.100 0.000) 4.335 9.110 ( 4.224 1.372 0.000) 4.441 9.228 ( 1.348 0.421 0.000) 1.412 9.262 ( -4.514 0.136 0.000) 4.516 9.392 ( 2.644 1.806 0.000) 3.202 9.949 ( 0.842 0.057 0.000) 0.844 ======================= Grid point 19 (12/171) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 7.165 -0.029 0.000) 7.165 2.136 ( 0.850 4.726 0.000) 4.802 2.159 ( 0.867 1.058 0.000) 1.368 2.268 ( -2.824 -0.851 0.000) 2.950 2.695 ( -16.586 -1.034 0.000) 16.618 2.721 ( 2.793 2.275 0.000) 3.602 2.863 ( -4.433 -0.487 0.000) 4.460 3.007 ( -0.998 1.838 0.000) 2.091 3.171 ( -5.166 -0.371 0.000) 5.179 3.193 ( 9.464 4.381 0.000) 10.428 3.239 ( 7.100 0.177 0.000) 7.102 3.583 ( 2.165 -1.413 0.000) 2.585 3.684 ( -2.048 -6.270 0.000) 6.596 3.969 ( 5.365 1.594 0.000) 5.597 4.122 ( 7.088 -4.520 0.000) 8.407 4.826 ( 13.445 0.709 0.000) 13.463 5.047 ( 14.198 -0.515 0.000) 14.207 5.427 ( 6.984 0.102 0.000) 6.985 6.570 ( 5.931 -0.275 0.000) 5.937 6.817 ( -10.684 0.464 0.000) 10.695 7.114 ( -4.205 0.062 0.000) 4.205 7.366 ( -0.745 0.152 0.000) 0.761 7.367 ( -2.305 0.090 0.000) 2.306 7.457 ( -4.954 -0.081 0.000) 4.955 7.810 ( 20.074 -0.116 0.000) 20.074 7.827 ( 0.365 -0.221 0.000) 0.427 8.022 ( 2.619 0.003 0.000) 2.619 8.292 ( -3.171 -0.768 0.000) 3.263 8.384 ( -1.521 -0.052 0.000) 1.522 8.859 ( 7.356 0.718 0.000) 7.391 9.016 ( -3.555 -0.432 0.000) 3.581 9.186 ( -2.764 0.239 0.000) 2.774 9.202 ( 5.193 0.571 0.000) 5.225 9.241 ( 0.340 1.210 0.000) 1.257 9.405 ( -0.212 2.571 0.000) 2.580 9.983 ( 2.384 0.065 0.000) 2.385 ======================= Grid point 20 (13/171) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -14.105 4.602 0.000) 14.837 2.084 ( -3.698 0.066 0.000) 3.698 2.164 ( 0.631 0.409 0.000) 0.752 2.226 ( -2.180 -2.016 0.000) 2.969 2.448 ( -6.826 0.744 0.000) 6.866 2.735 ( 0.479 2.416 0.000) 2.463 2.794 ( -2.091 -0.457 0.000) 2.141 2.992 ( -0.246 1.393 0.000) 1.415 3.093 ( -2.875 -0.398 0.000) 2.902 3.331 ( 6.158 2.214 0.000) 6.544 3.352 ( 4.245 0.164 0.000) 4.248 3.654 ( 3.598 -1.870 0.000) 4.055 3.693 ( -0.007 -4.264 0.000) 4.264 4.021 ( 1.243 1.528 0.000) 1.970 4.264 ( 4.953 -3.921 0.000) 6.317 4.999 ( 5.383 0.404 0.000) 5.398 5.233 ( 5.802 1.733 0.000) 6.056 5.552 ( 5.006 -1.135 0.000) 5.133 6.638 ( -6.923 0.573 0.000) 6.947 6.676 ( 4.371 -0.154 0.000) 4.374 7.038 ( -3.130 -0.150 0.000) 3.134 7.315 ( -1.798 0.508 0.000) 1.868 7.387 ( 1.262 0.101 0.000) 1.266 7.400 ( -1.448 -0.135 0.000) 1.455 7.836 ( 0.576 -0.550 0.000) 0.797 8.083 ( 2.906 0.277 0.000) 2.919 8.094 ( 9.744 -0.092 0.000) 9.744 8.242 ( -2.050 -0.491 0.000) 2.108 8.365 ( -0.481 -0.332 0.000) 0.584 8.959 ( 3.329 0.698 0.000) 3.401 8.966 ( -1.843 -0.440 0.000) 1.895 9.155 ( -0.402 0.034 0.000) 0.404 9.231 ( -0.699 1.030 0.000) 1.244 9.287 ( 3.421 0.410 0.000) 3.446 9.364 ( -2.502 1.788 0.000) 3.075 10.026 ( 1.740 0.050 0.000) 1.741 ======================= Grid point 21 (14/171) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -2.987 0.820 0.000) 3.098 2.026 ( 1.303 1.092 0.000) 1.700 2.165 ( -0.207 -0.385 0.000) 0.437 2.214 ( -0.005 -1.232 0.000) 1.232 2.393 ( -0.453 0.575 0.000) 0.732 2.721 ( -1.316 0.277 0.000) 1.345 2.775 ( -0.405 -0.563 0.000) 0.694 2.979 ( -0.624 0.102 0.000) 0.632 3.069 ( 0.281 -0.007 0.000) 0.281 3.379 ( -1.342 -0.596 0.000) 1.468 3.393 ( -0.102 0.000 0.000) 0.102 3.692 ( -0.138 -1.878 0.000) 1.883 3.744 ( 3.645 1.785 0.000) 4.059 4.024 ( 0.463 1.708 0.000) 1.769 4.338 ( 0.846 -2.209 0.000) 2.365 5.045 ( -0.257 0.001 0.000) 0.257 5.276 ( 0.308 2.489 0.000) 2.508 5.609 ( -0.134 -1.535 0.000) 1.541 6.562 ( -0.666 -0.219 0.000) 0.701 6.721 ( 0.022 -0.004 0.000) 0.022 7.010 ( 0.252 -0.031 0.000) 0.254 7.291 ( -0.421 0.097 0.000) 0.432 7.390 ( 0.236 0.152 0.000) 0.281 7.400 ( -0.121 -0.060 0.000) 0.135 7.848 ( 0.247 -0.237 0.000) 0.342 8.112 ( 0.142 0.452 0.000) 0.474 8.189 ( 0.063 -0.001 0.000) 0.063 8.224 ( -0.021 -0.417 0.000) 0.418 8.367 ( 0.506 0.192 0.000) 0.541 8.952 ( 0.362 0.006 0.000) 0.362 8.982 ( -0.669 -0.133 0.000) 0.682 9.157 ( 0.075 -0.032 0.000) 0.081 9.212 ( -0.782 -0.017 0.000) 0.782 9.308 ( -1.707 0.146 0.000) 1.713 9.327 ( 0.238 0.001 0.000) 0.238 10.043 ( -0.026 0.010 0.000) 0.028 ======================= Grid point 22 (15/171) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 10.292 -4.871 0.000) 11.386 2.090 ( 2.104 0.681 0.000) 2.211 2.160 ( -1.226 -0.108 0.000) 1.231 2.262 ( 4.325 1.263 0.000) 4.506 2.431 ( 7.637 -0.778 0.000) 7.677 2.686 ( -2.479 -2.024 0.000) 3.200 2.785 ( 0.840 -1.845 0.000) 2.027 2.974 ( 0.409 0.051 0.000) 0.412 3.102 ( 3.283 0.489 0.000) 3.320 3.286 ( -8.461 -2.058 0.000) 8.707 3.348 ( -4.486 -0.214 0.000) 4.492 3.681 ( -1.068 1.664 0.000) 1.977 3.790 ( 2.333 3.385 0.000) 4.111 4.022 ( -0.226 1.924 0.000) 1.937 4.314 ( -3.724 0.444 0.000) 3.750 4.989 ( -5.946 -0.517 0.000) 5.969 5.229 ( -4.203 1.784 0.000) 4.566 5.557 ( -5.738 -0.854 0.000) 5.801 6.620 ( 6.277 -1.171 0.000) 6.385 6.679 ( -4.053 0.158 0.000) 4.056 7.042 ( 2.956 0.232 0.000) 2.965 7.304 ( 1.715 -0.527 0.000) 1.794 7.383 ( -1.432 -0.234 0.000) 1.451 7.405 ( 1.682 0.439 0.000) 1.738 7.845 ( -0.547 0.175 0.000) 0.574 8.085 ( -2.540 0.542 0.000) 2.597 8.097 ( -9.651 0.107 0.000) 9.652 8.245 ( 2.132 -0.237 0.000) 2.145 8.379 ( 1.007 1.004 0.000) 1.422 8.938 ( -4.216 -1.279 0.000) 4.406 8.978 ( 2.377 0.704 0.000) 2.479 9.154 ( 0.086 -0.062 0.000) 0.106 9.204 ( -0.510 -1.465 0.000) 1.551 9.271 ( -3.230 -1.072 0.000) 3.403 9.328 ( -0.000 -1.432 0.000) 1.432 10.025 ( -1.786 -0.043 0.000) 1.787 ======================= Grid point 23 (16/171) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -0.421 -7.182 0.000) 7.194 2.048 ( -6.535 0.283 0.000) 6.541 2.132 ( -1.236 -1.413 0.000) 1.877 2.288 ( 0.402 0.959 0.000) 1.040 2.656 ( -2.383 -3.716 0.000) 4.414 2.724 ( 18.671 1.615 0.000) 18.740 2.816 ( -0.007 -4.614 0.000) 4.614 3.017 ( 5.241 2.512 0.000) 5.812 3.103 ( -11.302 -3.554 0.000) 11.848 3.183 ( 4.307 0.701 0.000) 4.363 3.233 ( -6.292 -0.392 0.000) 6.304 3.642 ( -1.337 3.852 0.000) 4.078 3.795 ( 0.074 3.556 0.000) 3.557 3.973 ( -4.202 2.266 0.000) 4.774 4.201 ( -6.786 2.521 0.000) 7.239 4.805 ( -14.113 -1.181 0.000) 14.162 5.073 ( -11.929 2.097 0.000) 12.112 5.422 ( -7.553 -0.498 0.000) 7.569 6.578 ( -5.846 0.424 0.000) 5.861 6.801 ( 11.261 -1.007 0.000) 11.306 7.113 ( 3.974 -0.078 0.000) 3.975 7.362 ( -0.205 -0.259 0.000) 0.330 7.365 ( 4.193 -0.106 0.000) 4.194 7.461 ( 4.633 0.304 0.000) 4.643 7.813 ( -20.061 0.165 0.000) 20.062 7.829 ( -1.232 -0.140 0.000) 1.240 8.028 ( -2.084 0.724 0.000) 2.206 8.306 ( 4.006 0.335 0.000) 4.020 8.392 ( 0.827 1.004 0.000) 1.301 8.834 ( -7.372 -1.742 0.000) 7.575 9.032 ( 3.480 1.065 0.000) 3.639 9.176 ( -0.397 -0.902 0.000) 0.985 9.187 ( -3.155 -0.631 0.000) 3.217 9.204 ( -0.511 -2.332 0.000) 2.387 9.336 ( -0.893 -3.705 0.000) 3.811 9.982 ( -2.412 -0.090 0.000) 2.414 ======================= Grid point 24 (17/171) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -13.198 0.782 0.000) 13.221 1.884 ( -14.310 -4.580 0.000) 15.024 2.113 ( -1.750 -0.593 0.000) 1.847 2.294 ( 0.148 -1.946 0.000) 1.952 2.602 ( -5.498 -2.496 0.000) 6.038 2.822 ( -1.910 -5.583 0.000) 5.901 2.904 ( -11.688 -4.934 0.000) 12.687 2.995 ( 3.366 -0.262 0.000) 3.377 3.102 ( 3.115 3.102 0.000) 4.396 3.108 ( 1.615 2.362 0.000) 2.861 3.308 ( 6.872 0.906 0.000) 6.931 3.596 ( -1.514 3.012 0.000) 3.371 3.757 ( -3.063 1.441 0.000) 3.385 3.839 ( -7.754 2.834 0.000) 8.256 4.048 ( -7.171 2.703 0.000) 7.663 4.447 ( -23.900 -1.934 0.000) 23.978 4.727 ( -22.275 3.111 0.000) 22.491 5.307 ( -3.981 0.146 0.000) 3.984 6.468 ( -4.986 0.341 0.000) 4.998 7.023 ( 10.414 0.120 0.000) 10.415 7.176 ( 2.035 -0.173 0.000) 2.043 7.289 ( -29.790 0.206 0.000) 29.791 7.392 ( -1.012 -0.200 0.000) 1.032 7.483 ( 7.729 1.182 0.000) 7.819 7.591 ( 8.827 -0.332 0.000) 8.833 7.790 ( -2.926 -0.804 0.000) 3.034 8.035 ( 3.627 0.746 0.000) 3.703 8.366 ( 1.052 1.994 0.000) 2.254 8.412 ( 2.471 -0.749 0.000) 2.582 8.675 ( -9.712 -1.183 0.000) 9.784 9.055 ( -8.225 -3.823 0.000) 9.070 9.090 ( 2.348 -0.208 0.000) 2.357 9.213 ( 0.954 -0.968 0.000) 1.359 9.256 ( 4.696 -0.356 0.000) 4.709 9.334 ( -0.541 -3.276 0.000) 3.320 9.947 ( -0.867 -0.122 0.000) 0.876 ======================= Grid point 25 (18/171) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -19.236 1.789 0.000) 19.319 1.542 ( -21.506 0.456 0.000) 21.511 2.056 ( -4.135 1.509 0.000) 4.402 2.321 ( 0.595 -5.949 0.000) 5.979 2.456 ( -11.355 0.410 0.000) 11.363 2.678 ( -13.509 -3.025 0.000) 13.844 2.790 ( -4.600 -1.669 0.000) 4.894 2.901 ( -6.811 -2.729 0.000) 7.337 3.100 ( -1.136 -0.707 0.000) 1.338 3.221 ( 5.479 5.038 0.000) 7.443 3.435 ( 6.630 1.035 0.000) 6.710 3.531 ( -7.640 -2.073 0.000) 7.916 3.626 ( -7.803 0.894 0.000) 7.854 3.699 ( -6.227 2.416 0.000) 6.679 3.911 ( -7.736 -1.387 0.000) 7.860 3.919 ( -31.350 -2.589 0.000) 31.457 4.240 ( -22.472 4.619 0.000) 22.941 5.277 ( 1.481 1.769 0.000) 2.307 6.392 ( -2.845 0.048 0.000) 2.845 6.517 ( -47.351 0.177 0.000) 47.351 7.165 ( 3.851 0.778 0.000) 3.929 7.178 ( -2.140 0.010 0.000) 2.140 7.448 ( 4.049 0.006 0.000) 4.049 7.652 ( 10.240 2.431 0.000) 10.525 7.720 ( -1.423 -1.915 0.000) 2.386 7.806 ( 9.158 -0.718 0.000) 9.187 8.143 ( 6.895 0.578 0.000) 6.919 8.332 ( -3.102 0.477 0.000) 3.138 8.462 ( 0.544 -1.196 0.000) 1.313 8.485 ( -9.430 0.108 0.000) 9.430 8.911 ( -10.365 -10.549 0.000) 14.789 9.113 ( -0.581 -2.774 0.000) 2.834 9.257 ( 3.731 2.329 0.000) 4.398 9.329 ( 3.767 2.233 0.000) 4.379 9.398 ( 6.251 -0.229 0.000) 6.255 9.959 ( 2.105 -0.142 0.000) 2.110 ======================= Grid point 26 (19/171) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -22.816 7.358 0.000) 23.973 1.103 ( -23.870 3.321 0.000) 24.100 1.946 ( -5.719 2.555 0.000) 6.263 2.053 ( -30.189 5.972 0.000) 30.774 2.357 ( -1.822 -7.293 0.000) 7.518 2.491 ( -6.116 -0.809 0.000) 6.169 2.655 ( -8.593 1.752 0.000) 8.770 2.803 ( -4.953 -2.261 0.000) 5.445 3.080 ( -8.246 -6.929 0.000) 10.770 3.184 ( -15.297 -1.111 0.000) 15.337 3.239 ( -18.390 0.723 0.000) 18.404 3.379 ( -14.862 2.389 0.000) 15.053 3.437 ( -15.385 -4.500 0.000) 16.029 3.545 ( 5.181 0.871 0.000) 5.254 3.552 ( -6.520 -1.535 0.000) 6.699 3.761 ( -1.798 1.064 0.000) 2.089 4.038 ( 0.117 1.632 0.000) 1.636 5.343 ( 6.150 2.998 0.000) 6.841 5.497 ( -56.173 0.375 0.000) 56.175 6.374 ( 0.558 -0.062 0.000) 0.561 7.095 ( -6.228 0.092 0.000) 6.228 7.145 ( -5.721 -0.206 0.000) 5.725 7.528 ( 3.982 0.089 0.000) 3.983 7.696 ( -1.591 -2.753 0.000) 3.180 7.832 ( 9.302 2.950 0.000) 9.759 7.972 ( 4.110 -4.836 0.000) 6.347 8.204 ( -4.026 0.170 0.000) 4.030 8.264 ( -3.723 -0.987 0.000) 3.851 8.372 ( 2.069 0.891 0.000) 2.253 8.450 ( -4.191 -7.907 0.000) 8.949 8.772 ( -10.530 -14.228 0.000) 17.701 9.109 ( -1.107 -3.255 0.000) 3.438 9.318 ( 3.881 3.665 0.000) 5.338 9.420 ( 9.047 9.933 0.000) 13.436 9.531 ( 6.993 0.538 0.000) 7.013 10.021 ( 3.827 -0.100 0.000) 3.829 ======================= Grid point 27 (20/171) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -25.210 6.168 0.000) 25.954 0.627 ( -17.671 17.061 0.000) 24.563 1.243 ( -48.288 11.881 0.000) 49.728 1.831 ( -4.292 2.506 0.000) 4.970 2.217 ( -16.107 -1.555 0.000) 16.182 2.422 ( -1.952 -0.179 0.000) 1.961 2.483 ( -7.971 0.054 0.000) 7.971 2.667 ( -21.244 -0.756 0.000) 21.257 2.719 ( -4.607 -4.264 0.000) 6.277 2.874 ( -8.868 -9.503 0.000) 12.998 3.143 ( -2.753 -2.861 0.000) 3.970 3.206 ( -9.041 -1.868 0.000) 9.232 3.286 ( -0.019 7.833 0.000) 7.833 3.490 ( -1.901 -5.610 0.000) 5.923 3.623 ( 3.316 0.534 0.000) 3.359 3.785 ( 2.455 0.209 0.000) 2.464 4.077 ( 2.823 -0.635 0.000) 2.894 4.481 ( -44.204 0.865 0.000) 44.212 5.453 ( 5.903 2.995 0.000) 6.619 6.410 ( 2.685 0.004 0.000) 2.685 6.961 ( -6.744 -0.069 0.000) 6.744 6.986 ( -10.159 -4.414 0.000) 11.076 7.590 ( 2.367 0.083 0.000) 2.368 7.673 ( -7.789 -12.876 0.000) 15.049 7.896 ( -27.847 -30.910 0.000) 41.604 7.962 ( 5.362 2.676 0.000) 5.993 8.095 ( -4.189 0.487 0.000) 4.217 8.165 ( -11.889 -8.938 0.000) 14.874 8.399 ( -1.545 -9.035 0.000) 9.167 8.474 ( 4.042 0.433 0.000) 4.065 8.659 ( -6.126 -6.492 0.000) 8.926 9.109 ( -0.533 -2.878 0.000) 2.926 9.361 ( 2.322 3.711 0.000) 4.378 9.590 ( 17.349 18.173 0.000) 25.125 9.644 ( 4.871 1.219 0.000) 5.021 10.090 ( 2.868 -0.020 0.000) 2.868 ======================= Grid point 28 (21/171) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.171 ( -0.000 16.493 0.000) 16.493 0.251 ( -0.000 24.339 0.000) 24.339 0.370 ( -0.000 36.022 0.000) 36.022 1.776 ( -0.000 1.879 0.000) 1.879 1.999 ( -0.000 0.111 0.000) 0.111 2.289 ( 0.000 -1.252 0.000) 1.252 2.409 ( -0.000 0.815 0.000) 0.815 2.427 ( -0.000 1.529 0.000) 1.529 2.704 ( 0.000 -4.052 0.000) 4.052 2.859 ( 0.000 -9.025 0.000) 9.025 2.984 ( -0.000 0.428 0.000) 0.428 3.139 ( 0.000 -1.523 0.000) 1.523 3.247 ( -0.000 7.672 0.000) 7.672 3.530 ( 0.000 -7.057 0.000) 7.057 3.663 ( -0.000 0.154 0.000) 0.154 3.827 ( -0.000 2.709 0.000) 2.709 4.002 ( -0.000 0.985 0.000) 0.985 4.115 ( -0.000 0.057 0.000) 0.057 4.855 ( 0.000 -2.755 0.000) 2.755 5.505 ( -0.000 2.257 0.000) 2.257 6.445 ( -0.000 0.091 0.000) 0.091 6.885 ( 0.000 -0.171 0.000) 0.171 6.920 ( 0.000 -0.476 0.000) 0.476 7.613 ( -0.000 0.047 0.000) 0.047 7.718 ( -0.000 0.399 0.000) 0.399 8.003 ( -0.000 1.935 0.000) 1.935 8.053 ( -0.000 0.194 0.000) 0.194 8.060 ( -0.000 0.193 0.000) 0.193 8.430 ( 0.000 -4.825 0.000) 4.825 8.509 ( -0.000 2.715 0.000) 2.715 8.616 ( 0.000 -0.138 0.000) 0.138 9.117 ( 0.000 -2.210 0.000) 2.210 9.366 ( -0.000 2.914 0.000) 2.914 9.686 ( -0.000 0.584 0.000) 0.584 9.971 ( 0.000 -0.215 0.000) 0.215 10.119 ( -0.000 0.011 0.000) 0.011 ======================= Grid point 31 (22/171) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 14.012 0.000 0.000) 14.012 1.979 ( 17.682 0.000 0.000) 17.682 2.125 ( 3.519 0.000 0.000) 3.519 2.338 ( -4.287 -0.000 0.000) 4.287 2.637 ( 7.568 0.000 0.000) 7.568 2.879 ( 2.492 0.000 0.000) 2.492 2.971 ( -11.737 -0.000 0.000) 11.737 3.011 ( 13.615 0.000 0.000) 13.615 3.080 ( -4.188 -0.000 0.000) 4.188 3.089 ( 7.574 0.000 0.000) 7.574 3.288 ( -6.770 -0.000 0.000) 6.770 3.554 ( 0.180 0.000 0.000) 0.180 3.700 ( -2.570 -0.000 0.000) 2.570 3.845 ( 10.170 0.000 0.000) 10.170 3.948 ( 4.023 0.000 0.000) 4.023 4.482 ( 23.107 0.000 0.000) 23.107 4.672 ( 23.648 0.000 0.000) 23.648 5.306 ( 5.272 0.000 0.000) 5.272 6.462 ( 4.784 0.000 0.000) 4.784 7.021 ( -9.503 -0.000 0.000) 9.503 7.179 ( -1.989 -0.000 0.000) 1.989 7.285 ( 29.728 0.000 0.000) 29.728 7.397 ( 1.423 0.000 0.000) 1.423 7.460 ( -6.523 -0.000 0.000) 6.523 7.600 ( -9.830 -0.000 0.000) 9.830 7.801 ( 2.535 0.000 0.000) 2.535 8.024 ( -3.492 -0.000 0.000) 3.492 8.332 ( -1.401 -0.000 0.000) 1.401 8.426 ( -2.591 -0.000 0.000) 2.591 8.691 ( 10.307 0.000 0.000) 10.307 9.093 ( -4.596 -0.000 0.000) 4.596 9.117 ( 3.703 0.000 0.000) 3.703 9.231 ( 1.656 0.000 0.000) 1.656 9.262 ( -4.480 -0.000 0.000) 4.480 9.401 ( 2.901 0.000 0.000) 2.901 9.949 ( 0.839 0.000 0.000) 0.839 ======================= Grid point 32 (23/171) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 7.384 -0.001 0.000) 7.384 2.167 ( 0.809 0.425 0.000) 0.914 2.170 ( 0.857 1.725 0.000) 1.926 2.262 ( -3.600 -0.354 0.000) 3.617 2.687 ( -15.991 -0.372 0.000) 15.996 2.737 ( 3.106 0.850 0.000) 3.220 2.855 ( -4.646 -0.662 0.000) 4.693 3.025 ( -0.856 1.159 0.000) 1.441 3.169 ( -5.390 -0.129 0.000) 5.391 3.227 ( 9.347 1.906 0.000) 9.539 3.240 ( 7.300 0.059 0.000) 7.301 3.580 ( 2.251 0.895 0.000) 2.423 3.628 ( -2.811 -4.095 0.000) 4.967 3.988 ( 5.286 1.574 0.000) 5.515 4.083 ( 7.442 -2.643 0.000) 7.897 4.830 ( 13.285 0.250 0.000) 13.287 5.044 ( 14.997 -0.121 0.000) 14.997 5.428 ( 6.681 0.021 0.000) 6.681 6.568 ( 5.949 -0.099 0.000) 5.950 6.820 ( -10.584 0.151 0.000) 10.585 7.115 ( -4.250 0.023 0.000) 4.251 7.367 ( -1.021 0.075 0.000) 1.023 7.368 ( -1.811 0.013 0.000) 1.811 7.456 ( -5.024 -0.019 0.000) 5.024 7.809 ( 20.081 -0.043 0.000) 20.081 7.825 ( 0.152 -0.104 0.000) 0.184 8.022 ( 2.771 0.040 0.000) 2.772 8.286 ( -2.986 -0.306 0.000) 3.002 8.383 ( -1.699 0.010 0.000) 1.699 8.864 ( 7.375 0.232 0.000) 7.379 9.013 ( -3.589 -0.141 0.000) 3.592 9.188 ( -2.871 0.079 0.000) 2.873 9.206 ( 5.039 0.200 0.000) 5.043 9.249 ( 0.313 0.418 0.000) 0.522 9.424 ( -0.496 0.934 0.000) 1.057 9.984 ( 2.378 0.024 0.000) 2.378 ======================= Grid point 33 (24/171) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -15.090 2.661 0.000) 15.323 2.085 ( -3.822 0.175 0.000) 3.826 2.170 ( 0.703 0.676 0.000) 0.975 2.207 ( -2.318 -1.704 0.000) 2.877 2.454 ( -6.374 0.421 0.000) 6.387 2.756 ( -0.159 1.577 0.000) 1.585 2.789 ( -1.917 -0.501 0.000) 1.981 3.005 ( -1.026 0.945 0.000) 1.395 3.090 ( -2.746 -0.222 0.000) 2.755 3.351 ( 4.362 1.520 0.000) 4.620 3.354 ( 4.172 0.090 0.000) 4.173 3.626 ( 2.117 -2.924 0.000) 3.610 3.668 ( 4.234 -1.078 0.000) 4.369 4.040 ( 1.462 1.896 0.000) 2.394 4.225 ( 5.325 -3.338 0.000) 6.285 5.003 ( 5.204 0.222 0.000) 5.208 5.251 ( 6.979 1.594 0.000) 7.159 5.540 ( 4.223 -1.062 0.000) 4.355 6.642 ( -7.145 0.254 0.000) 7.150 6.675 ( 4.477 -0.091 0.000) 4.478 7.037 ( -3.206 -0.076 0.000) 3.206 7.320 ( -1.802 0.300 0.000) 1.827 7.388 ( 1.197 0.038 0.000) 1.198 7.399 ( -1.353 -0.035 0.000) 1.353 7.831 ( 0.593 -0.367 0.000) 0.698 8.086 ( 3.049 0.275 0.000) 3.061 8.094 ( 9.776 -0.052 0.000) 9.776 8.237 ( -2.027 -0.390 0.000) 2.064 8.363 ( -0.380 -0.113 0.000) 0.397 8.962 ( -1.718 -0.228 0.000) 1.733 8.964 ( 3.086 0.341 0.000) 3.104 9.156 ( -0.500 0.019 0.000) 0.500 9.239 ( -1.046 0.551 0.000) 1.183 9.290 ( 3.357 0.171 0.000) 3.361 9.379 ( -3.196 1.072 0.000) 3.371 10.026 ( 1.725 0.031 0.000) 1.725 ======================= Grid point 34 (25/171) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -5.354 1.030 0.000) 5.453 2.041 ( 2.748 1.721 0.000) 3.243 2.158 ( -0.807 -1.059 0.000) 1.331 2.201 ( -0.045 -1.234 0.000) 1.234 2.400 ( -0.747 0.634 0.000) 0.979 2.725 ( -2.288 0.595 0.000) 2.364 2.767 ( -1.064 -0.985 0.000) 1.450 2.980 ( -0.927 0.177 0.000) 0.944 3.069 ( 0.506 -0.009 0.000) 0.506 3.371 ( -2.384 -0.903 0.000) 2.549 3.393 ( -0.184 0.000 0.000) 0.184 3.680 ( 2.147 -0.605 0.000) 2.231 3.756 ( 4.010 0.528 0.000) 4.045 4.048 ( 0.994 2.615 0.000) 2.798 4.309 ( 1.512 -3.097 0.000) 3.446 5.045 ( -0.463 0.001 0.000) 0.463 5.308 ( 0.678 3.458 0.000) 3.524 5.588 ( -0.335 -2.319 0.000) 2.343 6.559 ( -1.203 -0.272 0.000) 1.233 6.721 ( 0.039 -0.006 0.000) 0.040 7.010 ( 0.451 -0.038 0.000) 0.452 7.293 ( -0.756 0.122 0.000) 0.766 7.392 ( 0.424 0.189 0.000) 0.464 7.399 ( -0.217 -0.076 0.000) 0.229 7.845 ( 0.436 -0.290 0.000) 0.523 8.118 ( 0.287 0.602 0.000) 0.667 8.189 ( 0.114 -0.002 0.000) 0.114 8.218 ( -0.060 -0.556 0.000) 0.559 8.369 ( 0.914 0.231 0.000) 0.943 8.952 ( 0.654 0.007 0.000) 0.654 8.980 ( -1.216 -0.165 0.000) 1.227 9.157 ( 0.121 -0.039 0.000) 0.127 9.212 ( -1.410 -0.021 0.000) 1.410 9.310 ( -2.991 0.184 0.000) 2.997 9.327 ( 0.367 -0.002 0.000) 0.367 10.043 ( -0.046 0.012 0.000) 0.048 ======================= Grid point 35 (26/171) ======================= q-point: (-0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 8.052 -3.530 0.000) 8.792 2.098 ( 0.664 0.849 0.000) 1.078 2.159 ( -1.717 -0.093 0.000) 1.720 2.271 ( 6.831 0.615 0.000) 6.859 2.424 ( 7.413 -0.497 0.000) 7.430 2.670 ( -3.336 -1.119 0.000) 3.519 2.760 ( -0.526 -2.778 0.000) 2.827 2.979 ( 1.494 0.876 0.000) 1.732 3.107 ( 3.488 0.390 0.000) 3.509 3.267 ( -8.815 -1.702 0.000) 8.978 3.346 ( -4.611 -0.176 0.000) 4.615 3.702 ( 0.576 2.379 0.000) 2.448 3.811 ( 1.986 0.762 0.000) 2.127 4.050 ( 0.338 3.364 0.000) 3.381 4.308 ( -2.873 -1.425 0.000) 3.207 4.984 ( -6.223 -0.420 0.000) 6.237 5.255 ( -4.243 3.271 0.000) 5.358 5.543 ( -5.476 -1.844 0.000) 5.778 6.608 ( 5.986 -1.119 0.000) 6.090 6.681 ( -3.906 0.114 0.000) 3.908 7.045 ( 2.909 0.202 0.000) 2.916 7.299 ( 1.632 -0.384 0.000) 1.676 7.381 ( -1.497 -0.226 0.000) 1.514 7.410 ( 1.759 0.451 0.000) 1.816 7.845 ( -0.553 -0.071 0.000) 0.557 8.092 ( -2.383 0.834 0.000) 2.525 8.098 ( -9.610 0.083 0.000) 9.610 8.241 ( 2.162 -0.548 0.000) 2.230 8.390 ( 1.396 1.035 0.000) 1.738 8.925 ( -4.752 -1.224 0.000) 4.907 8.985 ( 2.758 0.653 0.000) 2.834 9.154 ( -0.073 -0.073 0.000) 0.104 9.190 ( -1.211 -1.272 0.000) 1.756 9.260 ( -3.105 -1.022 0.000) 3.269 9.316 ( -1.203 -0.855 0.000) 1.476 10.024 ( -1.809 -0.027 0.000) 1.810 ======================= Grid point 36 (27/171) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -0.080 -6.379 0.000) 6.379 2.052 ( -6.421 0.459 0.000) 6.438 2.118 ( -1.252 -1.337 0.000) 1.832 2.297 ( -0.693 0.779 0.000) 1.043 2.620 ( -2.924 -3.209 0.000) 4.341 2.739 ( 19.630 1.436 0.000) 19.683 2.767 ( -1.103 -4.704 0.000) 4.831 3.042 ( 3.481 1.820 0.000) 3.928 3.076 ( -9.133 -1.542 0.000) 9.262 3.190 ( 3.951 0.751 0.000) 4.022 3.229 ( -5.932 -0.473 0.000) 5.951 3.683 ( -0.660 4.218 0.000) 4.269 3.818 ( -0.829 1.018 0.000) 1.313 4.004 ( -3.679 3.624 0.000) 5.164 4.217 ( -6.465 0.734 0.000) 6.507 4.793 ( -14.499 -1.088 0.000) 14.540 5.098 ( -11.506 2.613 0.000) 11.799 5.415 ( -7.329 -0.686 0.000) 7.361 6.582 ( -5.792 0.372 0.000) 5.804 6.791 ( 11.709 -1.036 0.000) 11.755 7.112 ( 3.814 -0.058 0.000) 3.814 7.359 ( -0.348 -0.250 0.000) 0.428 7.364 ( 4.893 -0.069 0.000) 4.893 7.464 ( 4.435 0.357 0.000) 4.450 7.814 ( -20.064 0.138 0.000) 20.065 7.826 ( -1.662 -0.368 0.000) 1.702 8.037 ( -1.919 1.011 0.000) 2.169 8.307 ( 4.325 -0.210 0.000) 4.330 8.405 ( 0.709 1.491 0.000) 1.651 8.814 ( -7.501 -2.002 0.000) 7.764 9.044 ( 3.570 1.363 0.000) 3.821 9.165 ( -3.418 -1.188 0.000) 3.619 9.179 ( -0.733 -2.514 0.000) 2.619 9.183 ( -0.785 -0.333 0.000) 0.853 9.301 ( -1.465 -3.043 0.000) 3.378 9.981 ( -2.430 -0.075 0.000) 2.431 ======================= Grid point 37 (28/171) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -11.844 -3.918 0.000) 12.476 1.861 ( -12.843 0.686 0.000) 12.862 2.108 ( -0.813 -0.441 0.000) 0.925 2.276 ( -1.567 -1.548 0.000) 2.203 2.571 ( -4.674 -3.547 0.000) 5.867 2.764 ( -1.813 -5.569 0.000) 5.857 2.855 ( -11.985 -4.494 0.000) 12.800 2.987 ( -1.383 -1.031 0.000) 1.725 3.136 ( 6.437 2.954 0.000) 7.083 3.138 ( 3.077 3.556 0.000) 4.702 3.316 ( 6.902 0.732 0.000) 6.941 3.632 ( -2.830 3.821 0.000) 4.754 3.769 ( -3.765 1.075 0.000) 3.916 3.871 ( -7.763 3.255 0.000) 8.418 4.068 ( -8.112 1.269 0.000) 8.210 4.427 ( -24.371 -1.982 0.000) 24.451 4.760 ( -21.912 3.113 0.000) 22.132 5.309 ( -3.284 0.201 0.000) 3.290 6.472 ( -5.103 0.332 0.000) 5.113 7.024 ( 11.065 0.189 0.000) 11.067 7.175 ( 2.082 -0.183 0.000) 2.090 7.291 ( -29.840 0.197 0.000) 29.841 7.390 ( -0.917 -0.134 0.000) 0.927 7.495 ( 8.546 1.142 0.000) 8.622 7.589 ( 8.512 -0.123 0.000) 8.513 7.781 ( -3.189 -0.996 0.000) 3.341 8.044 ( 3.453 0.828 0.000) 3.551 8.388 ( 0.811 2.259 0.000) 2.400 8.405 ( 2.566 -0.740 0.000) 2.670 8.660 ( -9.353 -1.769 0.000) 9.519 9.014 ( -11.059 -4.211 0.000) 11.834 9.087 ( 0.822 -0.194 0.000) 0.845 9.203 ( 2.693 -0.985 0.000) 2.868 9.253 ( 4.759 -0.358 0.000) 4.772 9.303 ( 0.957 -2.786 0.000) 2.945 9.946 ( -0.887 -0.118 0.000) 0.895 ======================= Grid point 38 (29/171) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -18.502 1.756 0.000) 18.586 1.554 ( -17.586 2.027 0.000) 17.703 2.074 ( -2.829 1.951 0.000) 3.437 2.262 ( -1.376 -5.503 0.000) 5.672 2.453 ( -9.846 -1.158 0.000) 9.914 2.642 ( -11.866 -3.917 0.000) 12.496 2.758 ( -2.570 -4.314 0.000) 5.022 2.870 ( -7.255 -3.310 0.000) 7.975 3.111 ( -3.440 2.599 0.000) 4.311 3.274 ( 5.788 5.099 0.000) 7.714 3.446 ( 6.658 0.916 0.000) 6.721 3.518 ( -8.889 -0.337 0.000) 8.895 3.634 ( -9.792 0.679 0.000) 9.815 3.719 ( -7.358 1.448 0.000) 7.499 3.890 ( -31.822 -2.979 0.000) 31.961 3.902 ( -8.936 -0.335 0.000) 8.942 4.281 ( -22.264 3.436 0.000) 22.527 5.296 ( 2.520 1.936 0.000) 3.177 6.393 ( -3.040 0.078 0.000) 3.041 6.519 ( -47.245 0.156 0.000) 47.245 7.174 ( 4.068 1.073 0.000) 4.207 7.178 ( -2.032 0.004 0.000) 2.032 7.448 ( 4.158 0.093 0.000) 4.159 7.678 ( 10.889 2.612 0.000) 11.198 7.700 ( -2.092 -1.931 0.000) 2.847 7.799 ( 8.547 -0.564 0.000) 8.566 8.148 ( 6.739 0.345 0.000) 6.748 8.337 ( -3.798 0.416 0.000) 3.821 8.447 ( -2.420 -1.741 0.000) 2.981 8.487 ( -7.869 0.400 0.000) 7.880 8.802 ( -13.590 -10.702 0.000) 17.298 9.086 ( -1.189 -2.395 0.000) 2.673 9.279 ( 4.836 1.914 0.000) 5.201 9.348 ( 6.474 1.519 0.000) 6.650 9.396 ( 6.934 -0.297 0.000) 6.940 9.958 ( 2.093 -0.162 0.000) 2.099 ======================= Grid point 39 (30/171) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -22.534 3.751 0.000) 22.844 1.178 ( -17.174 10.541 0.000) 20.151 1.978 ( -5.176 3.559 0.000) 6.282 2.111 ( -26.501 4.927 0.000) 26.955 2.278 ( -1.420 -7.939 0.000) 8.065 2.481 ( -5.439 -1.038 0.000) 5.538 2.673 ( -7.623 1.403 0.000) 7.751 2.773 ( -4.910 -3.571 0.000) 6.072 3.015 ( -9.946 -5.241 0.000) 11.242 3.169 ( -25.232 -1.742 0.000) 25.292 3.242 ( -18.183 -0.066 0.000) 18.183 3.389 ( -14.716 -4.572 0.000) 15.410 3.407 ( -6.535 2.878 0.000) 7.140 3.533 ( -9.465 -2.075 0.000) 9.690 3.555 ( 5.093 0.950 0.000) 5.181 3.773 ( -1.767 1.465 0.000) 2.296 4.049 ( -2.281 0.313 0.000) 2.302 5.377 ( 6.859 3.721 0.000) 7.804 5.501 ( -55.871 0.485 0.000) 55.874 6.373 ( 0.521 -0.098 0.000) 0.530 7.096 ( -6.247 0.118 0.000) 6.248 7.143 ( -7.367 0.012 0.000) 7.367 7.529 ( 4.033 0.209 0.000) 4.038 7.651 ( -5.366 -6.494 0.000) 8.424 7.865 ( 9.623 3.532 0.000) 10.251 7.923 ( -1.204 -4.435 0.000) 4.596 8.203 ( -4.677 -0.455 0.000) 4.699 8.253 ( -5.266 -1.109 0.000) 5.381 8.339 ( -10.818 -11.424 0.000) 15.733 8.385 ( 2.982 0.147 0.000) 2.986 8.669 ( -4.988 -6.436 0.000) 8.143 9.076 ( -1.120 -3.065 0.000) 3.263 9.356 ( 4.381 3.623 0.000) 5.685 9.501 ( 11.011 5.914 0.000) 12.499 9.539 ( 7.860 1.291 0.000) 7.966 10.020 ( 3.854 -0.145 0.000) 3.857 ======================= Grid point 40 (31/171) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -21.964 7.637 0.000) 23.254 0.821 ( -11.552 20.418 0.000) 23.459 1.385 ( -41.506 15.191 0.000) 44.198 1.864 ( -4.044 3.813 0.000) 5.558 2.196 ( -12.848 -2.594 0.000) 13.107 2.418 ( -2.783 -0.684 0.000) 2.866 2.487 ( -9.446 0.912 0.000) 9.490 2.655 ( -18.486 -1.593 0.000) 18.554 2.656 ( -10.548 -8.028 0.000) 13.255 2.788 ( -6.889 -7.094 0.000) 9.889 3.113 ( -2.996 -2.872 0.000) 4.150 3.180 ( -8.531 -3.059 0.000) 9.063 3.362 ( 0.369 6.777 0.000) 6.787 3.421 ( -4.391 -7.761 0.000) 8.917 3.630 ( 3.163 0.722 0.000) 3.244 3.788 ( 2.530 0.499 0.000) 2.579 4.065 ( 1.993 -1.762 0.000) 2.661 4.492 ( -43.746 1.273 0.000) 43.765 5.491 ( 6.068 4.302 0.000) 7.438 6.410 ( 2.780 -0.007 0.000) 2.780 6.883 ( -30.687 -19.998 0.000) 36.628 6.960 ( -6.900 -0.097 0.000) 6.901 7.325 ( -53.800 -36.216 0.000) 64.854 7.592 ( 2.381 0.208 0.000) 2.390 7.764 ( -6.762 -1.852 0.000) 7.011 7.995 ( 5.448 3.704 0.000) 6.588 8.100 ( -4.038 0.373 0.000) 4.055 8.128 ( -6.534 -1.248 0.000) 6.652 8.324 ( 1.910 -6.108 0.000) 6.399 8.484 ( 4.953 0.775 0.000) 5.014 8.627 ( -1.839 -1.506 0.000) 2.377 9.077 ( -0.497 -3.206 0.000) 3.244 9.403 ( 2.543 4.480 0.000) 5.151 9.650 ( 5.050 1.117 0.000) 5.172 9.730 ( 16.021 9.182 0.000) 18.466 10.089 ( 2.899 -0.059 0.000) 2.899 ======================= Grid point 41 (32/171) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( -0.000 14.909 0.000) 14.909 0.491 ( -0.000 22.889 0.000) 22.889 0.728 ( -0.000 34.179 0.000) 34.179 1.803 ( -0.000 3.510 0.000) 3.510 2.000 ( -0.000 0.200 0.000) 0.200 2.273 ( 0.000 -1.795 0.000) 1.795 2.422 ( -0.000 1.629 0.000) 1.629 2.447 ( -0.000 2.386 0.000) 2.386 2.626 ( 0.000 -11.380 0.000) 11.380 2.776 ( 0.000 -6.347 0.000) 6.347 2.990 ( -0.000 0.695 0.000) 0.695 3.116 ( 0.000 -2.872 0.000) 2.872 3.329 ( -0.000 7.815 0.000) 7.815 3.438 ( 0.000 -10.624 0.000) 10.624 3.665 ( -0.000 0.306 0.000) 0.306 3.856 ( -0.000 2.658 0.000) 2.658 4.016 ( -0.000 1.774 0.000) 1.774 4.116 ( -0.000 0.124 0.000) 0.124 4.814 ( 0.000 -5.210 0.000) 5.210 5.538 ( -0.000 4.034 0.000) 4.034 6.446 ( -0.000 0.158 0.000) 0.158 6.882 ( 0.000 -0.312 0.000) 0.312 6.913 ( 0.000 -0.859 0.000) 0.859 7.614 ( -0.000 0.153 0.000) 0.153 7.723 ( -0.000 0.717 0.000) 0.717 8.030 ( -0.000 3.359 0.000) 3.359 8.056 ( -0.000 0.356 0.000) 0.356 8.063 ( -0.000 0.339 0.000) 0.339 8.379 ( 0.000 -5.170 0.000) 5.170 8.530 ( -0.000 1.362 0.000) 1.362 8.614 ( 0.000 -0.266 0.000) 0.266 9.089 ( 0.000 -3.124 0.000) 3.124 9.405 ( -0.000 4.449 0.000) 4.449 9.694 ( -0.000 1.063 0.000) 1.063 9.968 ( 0.000 -0.394 0.000) 0.394 10.119 ( 0.000 -0.003 0.000) 0.003 ======================= Grid point 46 (33/171) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -15.409 -0.000 0.000) 15.409 2.086 ( -3.807 -0.000 0.000) 3.807 2.175 ( 1.338 0.000 0.000) 1.338 2.196 ( -3.046 -0.000 0.000) 3.046 2.456 ( -6.202 -0.000 0.000) 6.202 2.765 ( -0.319 -0.000 0.000) 0.319 2.786 ( -1.859 -0.000 0.000) 1.859 3.010 ( -1.406 -0.000 0.000) 1.406 3.088 ( -2.701 -0.000 0.000) 2.701 3.354 ( 4.147 0.000 0.000) 4.147 3.359 ( 3.398 0.000 0.000) 3.398 3.609 ( 2.439 0.000 0.000) 2.439 3.663 ( 5.230 0.000 0.000) 5.230 4.052 ( 1.458 0.000 0.000) 1.458 4.206 ( 5.539 0.000 0.000) 5.539 5.004 ( 5.140 0.000 0.000) 5.140 5.260 ( 7.537 0.000 0.000) 7.537 5.534 ( 3.816 0.000 0.000) 3.816 6.644 ( -7.225 -0.000 0.000) 7.225 6.674 ( 4.515 0.000 0.000) 4.515 7.037 ( -3.234 -0.000 0.000) 3.234 7.321 ( -1.801 -0.000 0.000) 1.801 7.388 ( 1.173 0.000 0.000) 1.173 7.399 ( -1.317 -0.000 0.000) 1.317 7.829 ( 0.600 0.000 0.000) 0.600 8.088 ( 3.107 0.000 0.000) 3.107 8.093 ( 9.787 0.000 0.000) 9.787 8.235 ( -2.025 -0.000 0.000) 2.025 8.363 ( -0.350 -0.000 0.000) 0.350 8.961 ( -1.677 -0.000 0.000) 1.677 8.966 ( 3.003 0.000 0.000) 3.003 9.156 ( -0.534 -0.000 0.000) 0.534 9.242 ( -1.166 -0.000 0.000) 1.166 9.290 ( 3.323 0.000 0.000) 3.323 9.385 ( -3.432 -0.000 0.000) 3.432 10.026 ( 1.720 0.000 0.000) 1.720 ======================= Grid point 47 (34/171) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -6.648 0.461 0.000) 6.664 2.057 ( 4.296 1.048 0.000) 4.422 2.147 ( -2.005 -0.902 0.000) 2.199 2.192 ( 0.018 -0.377 0.000) 0.378 2.405 ( -0.877 0.259 0.000) 0.915 2.732 ( -2.769 0.540 0.000) 2.821 2.758 ( -1.654 -0.724 0.000) 1.806 2.982 ( -0.973 0.097 0.000) 0.978 3.068 ( 0.630 -0.004 0.000) 0.630 3.363 ( -2.870 -0.452 0.000) 2.905 3.393 ( -0.230 0.000 0.000) 0.230 3.678 ( 3.675 0.039 0.000) 3.675 3.757 ( 3.813 -0.056 0.000) 3.814 4.070 ( 1.356 1.435 0.000) 1.974 4.283 ( 1.884 -1.611 0.000) 2.479 5.045 ( -0.578 -0.000 0.000) 0.578 5.337 ( 1.032 1.769 0.000) 2.048 5.568 ( -0.577 -1.279 0.000) 1.403 6.557 ( -1.502 -0.120 0.000) 1.507 6.721 ( 0.050 -0.002 0.000) 0.050 7.010 ( 0.558 -0.017 0.000) 0.559 7.294 ( -0.941 0.055 0.000) 0.943 7.393 ( 0.528 0.084 0.000) 0.535 7.399 ( -0.269 -0.034 0.000) 0.271 7.843 ( 0.535 -0.127 0.000) 0.550 8.123 ( 0.396 0.286 0.000) 0.489 8.189 ( 0.142 -0.001 0.000) 0.142 8.214 ( -0.104 -0.266 0.000) 0.285 8.371 ( 1.142 0.100 0.000) 1.146 8.953 ( 0.816 0.003 0.000) 0.816 8.979 ( -1.528 -0.073 0.000) 1.530 9.156 ( 0.137 -0.017 0.000) 0.138 9.211 ( -1.759 -0.009 0.000) 1.759 9.311 ( -3.641 0.083 0.000) 3.642 9.327 ( 0.392 -0.003 0.000) 0.392 10.043 ( -0.058 0.005 0.000) 0.058 ======================= Grid point 48 (35/171) ======================= q-point: (-0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 6.330 -1.805 0.000) 6.582 2.106 ( -0.697 0.616 0.000) 0.930 2.158 ( -2.205 -0.081 0.000) 2.206 2.275 ( 9.436 0.166 0.000) 9.437 2.421 ( 6.894 -0.208 0.000) 6.897 2.663 ( -3.963 -0.224 0.000) 3.970 2.733 ( -1.366 -2.202 0.000) 2.591 2.988 ( 2.305 0.764 0.000) 2.429 3.110 ( 3.633 0.216 0.000) 3.639 3.252 ( -8.885 -1.009 0.000) 8.942 3.345 ( -4.702 -0.099 0.000) 4.703 3.727 ( 1.808 2.310 0.000) 2.934 3.809 ( 1.488 -0.846 0.000) 1.711 4.084 ( 0.583 2.885 0.000) 2.944 4.290 ( -2.140 -1.811 0.000) 2.804 4.981 ( -6.418 -0.235 0.000) 6.423 5.289 ( -4.670 2.859 0.000) 5.476 5.523 ( -4.952 -1.817 0.000) 5.274 6.598 ( 5.790 -0.691 0.000) 5.831 6.682 ( -3.807 0.058 0.000) 3.807 7.046 ( 2.893 0.118 0.000) 2.895 7.296 ( 1.555 -0.198 0.000) 1.568 7.379 ( -1.534 -0.140 0.000) 1.541 7.414 ( 1.800 0.288 0.000) 1.823 7.844 ( -0.563 -0.119 0.000) 0.576 8.098 ( -9.582 0.045 0.000) 9.582 8.100 ( -2.297 0.647 0.000) 2.386 8.236 ( 2.202 -0.467 0.000) 2.251 8.399 ( 1.722 0.661 0.000) 1.844 8.914 ( -5.186 -0.766 0.000) 5.243 8.990 ( 3.106 0.407 0.000) 3.132 9.153 ( -0.189 -0.056 0.000) 0.197 9.179 ( -1.779 -0.754 0.000) 1.933 9.252 ( -3.143 -0.584 0.000) 3.197 9.310 ( -1.897 -0.397 0.000) 1.938 10.024 ( -1.826 -0.013 0.000) 1.826 ======================= Grid point 49 (36/171) ======================= q-point: (-0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.178 -4.385 0.000) 4.388 2.057 ( -6.651 0.545 0.000) 6.674 2.106 ( -0.938 -1.095 0.000) 1.441 2.304 ( -1.488 0.510 0.000) 1.573 2.593 ( -3.764 -2.049 0.000) 4.286 2.725 ( -1.347 -3.464 0.000) 3.717 2.752 ( 20.310 0.985 0.000) 20.334 3.044 ( -9.780 -0.802 0.000) 9.813 3.078 ( 4.227 1.339 0.000) 4.434 3.197 ( 4.062 0.693 0.000) 4.121 3.224 ( -6.022 -0.501 0.000) 6.043 3.726 ( -0.132 4.113 0.000) 4.115 3.818 ( -1.120 -0.900 0.000) 1.436 4.041 ( -3.801 3.320 0.000) 5.047 4.218 ( -5.933 -0.497 0.000) 5.953 4.784 ( -14.817 -0.766 0.000) 14.837 5.123 ( -11.763 2.261 0.000) 11.979 5.408 ( -6.739 -0.664 0.000) 6.772 6.585 ( -5.746 0.252 0.000) 5.752 6.781 ( 12.143 -0.788 0.000) 12.169 7.111 ( 3.668 -0.032 0.000) 3.668 7.357 ( -0.373 -0.181 0.000) 0.415 7.363 ( 5.383 -0.034 0.000) 5.383 7.468 ( 4.270 0.293 0.000) 4.280 7.816 ( -20.072 0.090 0.000) 20.072 7.822 ( -1.960 -0.377 0.000) 1.996 8.047 ( -1.899 0.893 0.000) 2.098 8.303 ( 4.513 -0.387 0.000) 4.529 8.420 ( 0.802 1.355 0.000) 1.575 8.795 ( -7.727 -1.701 0.000) 7.912 9.059 ( 3.959 1.485 0.000) 4.228 9.154 ( -4.731 -0.961 0.000) 4.828 9.154 ( -1.226 -2.287 0.000) 2.595 9.180 ( 0.022 -0.163 0.000) 0.164 9.276 ( -1.916 -1.924 0.000) 2.715 9.980 ( -2.446 -0.048 0.000) 2.446 ======================= Grid point 50 (37/171) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -9.191 -2.698 0.000) 9.579 1.867 ( -12.609 0.466 0.000) 12.618 2.104 ( 0.027 -0.183 0.000) 0.185 2.263 ( -2.813 -1.047 0.000) 3.002 2.533 ( -4.490 -3.744 0.000) 5.846 2.713 ( -1.752 -4.266 0.000) 4.612 2.816 ( -12.505 -2.960 0.000) 12.850 2.976 ( -4.151 -1.034 0.000) 4.278 3.165 ( 9.167 2.505 0.000) 9.503 3.170 ( 3.037 2.755 0.000) 4.100 3.322 ( 6.852 0.455 0.000) 6.867 3.671 ( -3.933 3.832 0.000) 5.491 3.779 ( -2.953 0.721 0.000) 3.040 3.901 ( -8.861 2.499 0.000) 9.206 4.075 ( -8.645 0.194 0.000) 8.647 4.408 ( -24.807 -1.626 0.000) 24.860 4.789 ( -21.810 2.481 0.000) 21.951 5.311 ( -2.706 0.196 0.000) 2.713 6.475 ( -5.207 0.261 0.000) 5.214 7.027 ( 11.738 0.216 0.000) 11.740 7.173 ( 2.135 -0.154 0.000) 2.140 7.293 ( -29.890 0.151 0.000) 29.890 7.389 ( -0.869 -0.073 0.000) 0.872 7.506 ( 9.307 0.899 0.000) 9.351 7.589 ( 8.450 0.088 0.000) 8.450 7.770 ( -3.501 -0.949 0.000) 3.627 8.051 ( 3.128 0.679 0.000) 3.201 8.398 ( 2.116 -0.564 0.000) 2.190 8.411 ( 1.356 2.211 0.000) 2.594 8.640 ( -9.195 -2.172 0.000) 9.448 8.974 ( -13.560 -3.508 0.000) 14.007 9.086 ( -0.755 -0.143 0.000) 0.769 9.194 ( 4.468 -0.804 0.000) 4.540 9.249 ( 4.751 -0.213 0.000) 4.756 9.278 ( 2.247 -1.997 0.000) 3.006 9.945 ( -0.906 -0.093 0.000) 0.911 ======================= Grid point 51 (38/171) ======================= q-point: (-0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -17.849 1.338 0.000) 17.899 1.582 ( -13.197 3.391 0.000) 13.626 2.094 ( -1.257 2.073 0.000) 2.425 2.212 ( -3.229 -4.156 0.000) 5.263 2.430 ( -9.233 -3.336 0.000) 9.817 2.604 ( -10.419 -3.253 0.000) 10.915 2.710 ( -1.521 -4.727 0.000) 4.966 2.836 ( -7.996 -3.239 0.000) 8.627 3.144 ( -3.891 3.515 0.000) 5.244 3.323 ( 6.185 4.480 0.000) 7.637 3.453 ( 6.636 0.471 0.000) 6.653 3.525 ( -9.896 1.677 0.000) 10.037 3.640 ( -12.716 0.556 0.000) 12.728 3.726 ( -8.694 -0.012 0.000) 8.694 3.861 ( -32.386 -2.796 0.000) 32.507 3.903 ( -8.118 0.472 0.000) 8.132 4.309 ( -23.370 2.008 0.000) 23.456 5.315 ( 3.549 1.716 0.000) 3.942 6.394 ( -3.097 0.090 0.000) 3.099 6.520 ( -47.274 0.107 0.000) 47.274 7.178 ( -1.917 -0.002 0.000) 1.917 7.186 ( 4.432 1.188 0.000) 4.588 7.450 ( 4.273 0.142 0.000) 4.275 7.683 ( -3.641 -1.496 0.000) 3.936 7.703 ( 11.507 2.295 0.000) 11.734 7.795 ( 9.037 -0.283 0.000) 9.042 8.149 ( 6.256 -0.097 0.000) 6.257 8.341 ( -4.381 0.256 0.000) 4.389 8.427 ( -6.910 -2.170 0.000) 7.243 8.494 ( -6.061 0.878 0.000) 6.124 8.700 ( -14.591 -9.181 0.000) 17.239 9.065 ( -1.624 -1.850 0.000) 2.462 9.296 ( 5.783 1.430 0.000) 5.957 9.361 ( 8.239 0.989 0.000) 8.298 9.392 ( 7.585 -0.336 0.000) 7.592 9.956 ( 2.074 -0.150 0.000) 2.079 ======================= Grid point 52 (39/171) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -21.233 3.282 0.000) 21.486 1.296 ( -11.417 12.500 0.000) 16.929 2.016 ( -4.792 3.760 0.000) 6.091 2.144 ( -22.580 1.115 0.000) 22.608 2.202 ( -1.134 -6.501 0.000) 6.600 2.470 ( -4.559 -1.030 0.000) 4.674 2.677 ( -4.853 -0.743 0.000) 4.910 2.732 ( -5.040 -4.431 0.000) 6.711 2.986 ( -13.739 -0.087 0.000) 13.739 3.150 ( -31.562 -1.963 0.000) 31.623 3.237 ( -18.547 -0.968 0.000) 18.573 3.349 ( -13.962 -3.177 0.000) 14.319 3.436 ( -1.488 2.801 0.000) 3.171 3.509 ( -12.337 -2.855 0.000) 12.663 3.563 ( 4.991 0.726 0.000) 5.044 3.792 ( -2.107 2.239 0.000) 3.074 4.042 ( -4.451 -1.646 0.000) 4.745 5.416 ( 7.667 3.714 0.000) 8.519 5.506 ( -55.531 0.503 0.000) 55.534 6.372 ( 0.483 -0.119 0.000) 0.498 7.097 ( -6.265 0.121 0.000) 6.266 7.146 ( -9.772 0.639 0.000) 9.793 7.532 ( 4.089 0.288 0.000) 4.099 7.561 ( -15.053 -10.741 0.000) 18.493 7.890 ( -5.248 -1.886 0.000) 5.576 7.901 ( 9.950 3.397 0.000) 10.514 8.175 ( -8.499 -7.001 0.000) 11.011 8.231 ( -6.608 -2.861 0.000) 7.201 8.257 ( -4.704 -2.244 0.000) 5.212 8.389 ( 2.837 0.372 0.000) 2.861 8.626 ( -1.031 -2.784 0.000) 2.969 9.048 ( -1.191 -2.529 0.000) 2.795 9.390 ( 5.021 3.146 0.000) 5.925 9.534 ( 8.505 1.219 0.000) 8.592 9.566 ( 12.017 3.469 0.000) 12.508 10.018 ( 3.869 -0.174 0.000) 3.873 ======================= Grid point 53 (40/171) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -19.130 7.107 0.000) 20.408 1.032 ( -8.468 20.761 0.000) 22.422 1.536 ( -33.578 13.947 0.000) 36.359 1.906 ( -3.858 4.140 0.000) 5.660 2.166 ( -8.585 -3.049 0.000) 9.111 2.408 ( -4.910 -1.229 0.000) 5.061 2.503 ( -10.165 2.239 0.000) 10.409 2.570 ( -17.762 -8.086 0.000) 19.516 2.636 ( -14.411 -2.007 0.000) 14.550 2.724 ( -4.596 -5.936 0.000) 7.507 3.087 ( -2.638 -2.306 0.000) 3.504 3.146 ( -8.784 -3.314 0.000) 9.388 3.337 ( -7.654 -8.553 0.000) 11.478 3.423 ( 0.647 5.232 0.000) 5.272 3.637 ( 3.002 0.654 0.000) 3.073 3.796 ( 2.808 1.005 0.000) 2.983 4.041 ( 1.354 -3.063 0.000) 3.349 4.506 ( -43.175 1.443 0.000) 43.199 5.537 ( 6.195 4.758 0.000) 7.811 6.410 ( 2.901 -0.025 0.000) 2.901 6.561 ( -78.211 -37.097 0.000) 86.563 6.959 ( -7.099 -0.106 0.000) 7.100 7.121 ( -25.187 -8.501 0.000) 26.582 7.595 ( 2.396 0.322 0.000) 2.418 7.760 ( -3.328 0.309 0.000) 3.343 8.034 ( 5.540 3.915 0.000) 6.783 8.103 ( -3.657 0.241 0.000) 3.665 8.121 ( -5.074 -0.321 0.000) 5.084 8.269 ( 2.745 -4.845 0.000) 5.568 8.488 ( 4.830 -0.035 0.000) 4.830 8.616 ( -0.821 -0.828 0.000) 1.166 9.046 ( -0.502 -2.894 0.000) 2.938 9.449 ( 2.888 4.418 0.000) 5.278 9.662 ( 5.141 1.160 0.000) 5.270 9.797 ( 13.455 4.502 0.000) 14.188 10.089 ( 2.929 -0.118 0.000) 2.932 ======================= Grid point 54 (41/171) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -0.000 12.409 0.000) 12.409 0.712 ( -0.000 20.416 0.000) 20.416 1.060 ( -0.000 30.980 0.000) 30.980 1.845 ( -0.000 4.419 0.000) 4.419 2.003 ( -0.000 0.250 0.000) 0.250 2.254 ( 0.000 -1.802 0.000) 1.802 2.442 ( -0.000 2.398 0.000) 2.398 2.474 ( -0.000 2.750 0.000) 2.750 2.493 ( 0.000 -13.685 0.000) 13.685 2.722 ( 0.000 -4.942 0.000) 4.942 2.997 ( -0.000 0.590 0.000) 0.590 3.082 ( 0.000 -3.735 0.000) 3.735 3.321 ( 0.000 -12.060 0.000) 12.060 3.401 ( -0.000 6.198 0.000) 6.198 3.669 ( -0.000 0.375 0.000) 0.375 3.879 ( -0.000 1.769 0.000) 1.769 4.037 ( -0.000 2.211 0.000) 2.211 4.117 ( -0.000 0.194 0.000) 0.194 4.751 ( 0.000 -6.979 0.000) 6.979 5.584 ( -0.000 4.964 0.000) 4.964 6.448 ( -0.000 0.189 0.000) 0.189 6.879 ( 0.000 -0.396 0.000) 0.396 6.903 ( 0.000 -1.072 0.000) 1.072 7.617 ( -0.000 0.284 0.000) 0.284 7.732 ( -0.000 0.895 0.000) 0.895 8.060 ( -0.000 0.458 0.000) 0.458 8.067 ( -0.000 0.402 0.000) 0.402 8.068 ( -0.000 3.983 0.000) 3.983 8.327 ( 0.000 -4.934 0.000) 4.934 8.537 ( -0.000 0.175 0.000) 0.175 8.610 ( 0.000 -0.369 0.000) 0.369 9.056 ( 0.000 -3.111 0.000) 3.111 9.453 ( -0.000 4.875 0.000) 4.875 9.706 ( -0.000 1.347 0.000) 1.347 9.963 ( 0.000 -0.507 0.000) 0.507 10.119 ( 0.000 -0.054 0.000) 0.054 ======================= Grid point 61 (42/171) ======================= q-point: (-0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 5.679 0.000 0.000) 5.679 2.109 ( -1.279 -0.000 0.000) 1.279 2.158 ( -2.420 -0.000 0.000) 2.420 2.276 ( 10.583 0.000 0.000) 10.583 2.420 ( 6.628 0.000 0.000) 6.628 2.663 ( -4.257 -0.000 0.000) 4.257 2.721 ( -1.556 -0.000 0.000) 1.556 2.993 ( 2.586 0.000 0.000) 2.586 3.111 ( 3.686 0.000 0.000) 3.686 3.247 ( -8.881 -0.000 0.000) 8.881 3.344 ( -4.735 -0.000 0.000) 4.735 3.741 ( 2.459 0.000 0.000) 2.459 3.802 ( 1.089 0.000 0.000) 1.089 4.100 ( 0.607 0.000 0.000) 0.607 4.279 ( -1.837 -0.000 0.000) 1.837 4.980 ( -6.489 -0.000 0.000) 6.489 5.305 ( -4.969 -0.000 0.000) 4.969 5.512 ( -4.625 -0.000 0.000) 4.625 6.595 ( 5.720 0.000 0.000) 5.720 6.682 ( -3.772 -0.000 0.000) 3.772 7.047 ( 2.891 0.000 0.000) 2.891 7.295 ( 1.524 0.000 0.000) 1.524 7.378 ( -1.546 -0.000 0.000) 1.546 7.416 ( 1.812 0.000 0.000) 1.812 7.844 ( -0.568 -0.000 0.000) 0.568 8.099 ( -9.573 -0.000 0.000) 9.573 8.104 ( -2.277 -0.000 0.000) 2.277 8.233 ( 2.227 0.000 0.000) 2.227 8.402 ( 1.851 0.000 0.000) 1.851 8.910 ( -5.357 -0.000 0.000) 5.357 8.993 ( 3.253 0.000 0.000) 3.253 9.153 ( -0.231 -0.000 0.000) 0.231 9.175 ( -2.006 -0.000 0.000) 2.006 9.249 ( -3.186 -0.000 0.000) 3.186 9.308 ( -2.111 -0.000 0.000) 2.111 10.024 ( -1.832 -0.000 0.000) 1.832 ======================= Grid point 63 (43/171) ======================= q-point: (-0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.304 -1.562 0.000) 1.591 2.062 ( -7.254 0.304 0.000) 7.260 2.097 ( -0.284 -0.490 0.000) 0.566 2.307 ( -1.902 0.178 0.000) 1.910 2.579 ( -4.407 -0.682 0.000) 4.460 2.700 ( -1.262 -1.284 0.000) 1.800 2.759 ( 20.655 0.349 0.000) 20.658 3.038 ( -12.297 -0.372 0.000) 12.303 3.089 ( 6.770 0.608 0.000) 6.797 3.203 ( 5.287 0.372 0.000) 5.300 3.220 ( -7.228 -0.303 0.000) 7.235 3.764 ( 0.467 3.026 0.000) 3.062 3.802 ( -1.434 -1.918 0.000) 2.395 4.066 ( -4.183 1.416 0.000) 4.416 4.211 ( -5.421 -0.472 0.000) 5.441 4.778 ( -14.997 -0.277 0.000) 14.999 5.140 ( -12.218 0.909 0.000) 12.252 5.403 ( -6.174 -0.290 0.000) 6.181 6.587 ( -5.719 0.089 0.000) 5.720 6.776 ( 12.414 -0.295 0.000) 12.418 7.111 ( 3.580 -0.010 0.000) 3.580 7.356 ( -0.367 -0.066 0.000) 0.373 7.363 ( 5.643 -0.010 0.000) 5.643 7.470 ( 4.177 0.114 0.000) 4.178 7.816 ( -20.078 0.031 0.000) 20.078 7.819 ( -2.107 -0.157 0.000) 2.112 8.054 ( -1.943 0.357 0.000) 1.975 8.300 ( 4.623 -0.181 0.000) 4.626 8.431 ( 0.924 0.551 0.000) 1.076 8.782 ( -7.925 -0.684 0.000) 7.955 9.072 ( 4.841 0.860 0.000) 4.917 9.135 ( -2.166 -1.147 0.000) 2.451 9.147 ( -5.226 -0.365 0.000) 5.239 9.179 ( 0.263 -0.046 0.000) 0.267 9.262 ( -2.176 -0.651 0.000) 2.271 9.980 ( -2.455 -0.017 0.000) 2.455 ======================= Grid point 64 (44/171) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -7.059 -1.328 0.000) 7.183 1.870 ( -12.498 0.222 0.000) 12.500 2.104 ( 0.647 -0.018 0.000) 0.647 2.255 ( -3.560 -0.532 0.000) 3.600 2.500 ( -4.862 -2.422 0.000) 5.432 2.680 ( -1.699 -2.293 0.000) 2.853 2.794 ( -12.820 -1.373 0.000) 12.894 2.968 ( -5.606 -0.612 0.000) 5.640 3.185 ( 10.592 1.421 0.000) 10.687 3.192 ( 3.003 1.452 0.000) 3.335 3.325 ( 6.735 0.193 0.000) 6.738 3.705 ( -5.095 2.644 0.000) 5.740 3.783 ( -1.397 0.149 0.000) 1.405 3.921 ( -10.072 1.351 0.000) 10.162 4.074 ( -8.825 -0.219 0.000) 8.827 4.395 ( -25.116 -0.918 0.000) 25.133 4.808 ( -21.843 1.368 0.000) 21.886 5.313 ( -2.343 0.120 0.000) 2.346 6.477 ( -5.279 0.143 0.000) 5.281 7.029 ( 12.252 0.149 0.000) 12.253 7.172 ( 2.176 -0.087 0.000) 2.178 7.294 ( -29.925 0.081 0.000) 29.925 7.389 ( -0.849 -0.030 0.000) 0.850 7.513 ( 9.841 0.495 0.000) 9.853 7.590 ( 8.583 0.138 0.000) 8.584 7.762 ( -3.806 -0.597 0.000) 3.852 8.057 ( 2.800 0.367 0.000) 2.824 8.393 ( 2.325 -0.294 0.000) 2.344 8.431 ( 1.573 1.559 0.000) 2.215 8.619 ( -9.463 -1.725 0.000) 9.619 8.945 ( -15.176 -1.930 0.000) 15.298 9.085 ( -1.991 -0.074 0.000) 1.992 9.188 ( 5.843 -0.452 0.000) 5.860 9.249 ( 4.701 0.107 0.000) 4.702 9.262 ( 3.085 -1.232 0.000) 3.322 9.944 ( -0.921 -0.051 0.000) 0.922 ======================= Grid point 65 (45/171) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -17.390 0.774 0.000) 17.408 1.619 ( -9.131 3.460 0.000) 9.764 2.114 ( 0.293 1.659 0.000) 1.684 2.178 ( -4.703 -2.489 0.000) 5.321 2.389 ( -9.641 -4.217 0.000) 10.523 2.579 ( -9.331 -1.548 0.000) 9.458 2.668 ( -1.175 -3.453 0.000) 3.647 2.807 ( -8.835 -2.413 0.000) 9.158 3.176 ( -3.361 2.551 0.000) 4.220 3.363 ( 6.766 3.359 0.000) 7.554 3.455 ( 6.420 -0.124 0.000) 6.421 3.548 ( -10.076 2.454 0.000) 10.370 3.646 ( -15.857 0.641 0.000) 15.870 3.720 ( -9.932 -1.185 0.000) 10.002 3.836 ( -32.931 -2.009 0.000) 32.992 3.910 ( -6.343 0.734 0.000) 6.385 4.323 ( -25.006 0.856 0.000) 25.021 5.330 ( 4.377 1.171 0.000) 4.531 6.395 ( -3.053 0.073 0.000) 3.053 6.521 ( -47.387 0.056 0.000) 47.387 7.178 ( -1.820 -0.004 0.000) 1.820 7.197 ( 4.873 0.962 0.000) 4.966 7.451 ( 4.369 0.124 0.000) 4.370 7.671 ( -5.461 -0.861 0.000) 5.529 7.723 ( 11.981 1.561 0.000) 12.083 7.793 ( 10.250 -0.019 0.000) 10.250 8.146 ( 5.348 -0.475 0.000) 5.369 8.342 ( -4.702 0.102 0.000) 4.703 8.405 ( -12.084 -2.002 0.000) 12.249 8.506 ( -4.164 1.526 0.000) 4.434 8.619 ( -13.808 -6.574 0.000) 15.293 9.049 ( -1.906 -1.170 0.000) 2.236 9.308 ( 6.486 0.887 0.000) 6.547 9.369 ( 9.358 0.627 0.000) 9.379 9.389 ( 8.017 -0.327 0.000) 8.023 9.955 ( 2.052 -0.107 0.000) 2.055 ======================= Grid point 66 (46/171) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -20.212 2.259 0.000) 20.338 1.425 ( -6.199 12.415 0.000) 13.876 2.046 ( -5.403 1.569 0.000) 5.626 2.132 ( -19.776 -3.272 0.000) 20.045 2.154 ( 0.022 -2.404 0.000) 2.404 2.462 ( -3.888 -0.561 0.000) 3.928 2.659 ( -2.162 -2.376 0.000) 3.212 2.686 ( -5.460 -4.378 0.000) 6.998 3.012 ( -16.356 4.691 0.000) 17.015 3.131 ( -35.006 -1.676 0.000) 35.046 3.220 ( -20.104 -2.568 0.000) 20.267 3.330 ( -13.126 -0.465 0.000) 13.135 3.462 ( 1.161 2.285 0.000) 2.563 3.475 ( -14.648 -3.703 0.000) 15.109 3.569 ( 4.847 0.336 0.000) 4.859 3.820 ( -2.523 3.335 0.000) 4.182 4.016 ( -6.288 -3.445 0.000) 7.170 5.450 ( 8.418 2.981 0.000) 8.930 5.511 ( -55.221 0.416 0.000) 55.222 6.371 ( 0.453 -0.109 0.000) 0.466 7.098 ( -6.279 0.099 0.000) 6.280 7.158 ( -12.625 1.827 0.000) 12.757 7.444 ( -26.011 -11.722 0.000) 28.530 7.535 ( 4.141 0.275 0.000) 4.150 7.883 ( -7.670 0.363 0.000) 7.678 7.932 ( 10.217 2.639 0.000) 10.552 8.091 ( -4.027 -7.918 0.000) 8.883 8.219 ( -4.273 -0.325 0.000) 4.285 8.247 ( -4.905 -0.501 0.000) 4.930 8.391 ( 2.362 0.154 0.000) 2.367 8.605 ( 0.633 -1.406 0.000) 1.542 9.026 ( -1.261 -1.792 0.000) 2.191 9.419 ( 5.633 2.335 0.000) 6.098 9.542 ( 8.192 0.562 0.000) 8.212 9.595 ( 13.265 2.230 0.000) 13.451 10.016 ( 3.866 -0.165 0.000) 3.870 ======================= Grid point 67 (47/171) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -17.091 5.359 0.000) 17.911 1.237 ( -8.318 19.282 0.000) 21.000 1.655 ( -24.652 8.792 0.000) 26.173 1.940 ( -3.949 2.184 0.000) 4.513 2.142 ( -4.897 -1.219 0.000) 5.047 2.394 ( -7.144 -1.483 0.000) 7.297 2.501 ( -22.616 -5.248 0.000) 23.217 2.533 ( -10.891 3.596 0.000) 11.469 2.618 ( -9.939 -1.417 0.000) 10.040 2.663 ( -3.792 -6.124 0.000) 7.203 3.062 ( -2.694 -2.706 0.000) 3.818 3.119 ( -9.144 -1.820 0.000) 9.324 3.251 ( -10.803 -8.208 0.000) 13.567 3.468 ( 0.767 3.803 0.000) 3.880 3.642 ( 2.876 0.352 0.000) 2.898 3.810 ( 3.091 1.813 0.000) 3.584 4.004 ( 1.168 -4.088 0.000) 4.251 4.520 ( -42.603 1.325 0.000) 42.623 5.584 ( 6.195 4.330 0.000) 7.558 6.220 ( -90.243 -28.490 0.000) 94.633 6.409 ( 3.026 -0.037 0.000) 3.026 6.958 ( -7.301 -0.093 0.000) 7.302 7.071 ( -15.988 -2.905 0.000) 16.250 7.598 ( 2.411 0.351 0.000) 2.436 7.765 ( -2.546 0.620 0.000) 2.620 8.072 ( 5.612 3.370 0.000) 6.547 8.104 ( -2.801 -0.003 0.000) 2.801 8.119 ( -4.496 -0.066 0.000) 4.496 8.226 ( 2.601 -3.559 0.000) 4.409 8.484 ( 4.553 -0.532 0.000) 4.584 8.609 ( -0.419 -0.586 0.000) 0.720 9.019 ( -0.522 -2.255 0.000) 2.315 9.491 ( 3.273 3.743 0.000) 4.972 9.673 ( 5.358 1.061 0.000) 5.462 9.830 ( 11.405 2.149 0.000) 11.606 10.087 ( 2.946 -0.168 0.000) 2.951 ======================= Grid point 68 (48/171) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -0.000 9.273 0.000) 9.273 0.903 ( -0.000 16.849 0.000) 16.849 1.352 ( -0.000 26.207 0.000) 26.207 1.887 ( -0.000 3.603 0.000) 3.603 2.005 ( -0.000 0.250 0.000) 0.250 2.237 ( 0.000 -1.518 0.000) 1.518 2.366 ( 0.000 -10.432 0.000) 10.432 2.470 ( -0.000 2.983 0.000) 2.983 2.502 ( -0.000 2.803 0.000) 2.803 2.669 ( 0.000 -5.619 0.000) 5.619 2.998 ( 0.000 -0.860 0.000) 0.860 3.046 ( 0.000 -2.901 0.000) 2.901 3.198 ( 0.000 -11.982 0.000) 11.982 3.455 ( -0.000 4.526 0.000) 4.526 3.672 ( -0.000 0.263 0.000) 0.263 3.893 ( -0.000 1.022 0.000) 1.022 4.059 ( -0.000 2.210 0.000) 2.210 4.119 ( -0.000 0.238 0.000) 0.238 4.676 ( 0.000 -7.615 0.000) 7.615 5.635 ( -0.000 4.887 0.000) 4.887 6.450 ( -0.000 0.181 0.000) 0.181 6.875 ( 0.000 -0.403 0.000) 0.403 6.892 ( 0.000 -1.075 0.000) 1.075 7.620 ( -0.000 0.362 0.000) 0.362 7.741 ( -0.000 0.910 0.000) 0.910 8.065 ( -0.000 0.480 0.000) 0.480 8.071 ( -0.000 0.373 0.000) 0.373 8.108 ( -0.000 3.780 0.000) 3.780 8.280 ( 0.000 -4.167 0.000) 4.167 8.535 ( 0.000 -0.625 0.000) 0.625 8.606 ( 0.000 -0.401 0.000) 0.401 9.027 ( 0.000 -2.624 0.000) 2.624 9.501 ( -0.000 4.533 0.000) 4.533 9.721 ( -0.000 1.377 0.000) 1.377 9.958 ( 0.000 -0.531 0.000) 0.531 10.118 ( 0.000 -0.129 0.000) 0.129 ======================= Grid point 77 (49/171) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -6.229 -0.000 0.000) 6.229 1.871 ( -12.469 -0.000 0.000) 12.469 2.104 ( 0.883 0.000 0.000) 0.883 2.252 ( -3.812 -0.000 0.000) 3.812 2.488 ( -5.111 -0.000 0.000) 5.111 2.668 ( -1.677 -0.000 0.000) 1.677 2.788 ( -12.907 -0.000 0.000) 12.907 2.965 ( -6.069 -0.000 0.000) 6.069 3.192 ( 11.055 0.000 0.000) 11.055 3.199 ( 2.988 0.000 0.000) 2.988 3.326 ( 6.668 0.000 0.000) 6.668 3.720 ( -5.922 -0.000 0.000) 5.922 3.783 ( -0.324 -0.000 0.000) 0.324 3.928 ( -10.599 -0.000 0.000) 10.599 4.073 ( -8.843 -0.000 0.000) 8.843 4.391 ( -25.228 -0.000 0.000) 25.228 4.815 ( -21.872 -0.000 0.000) 21.872 5.314 ( -2.222 -0.000 0.000) 2.222 6.478 ( -5.305 -0.000 0.000) 5.305 7.029 ( 12.446 0.000 0.000) 12.446 7.171 ( 2.192 0.000 0.000) 2.192 7.295 ( -29.938 -0.000 0.000) 29.938 7.388 ( -0.844 -0.000 0.000) 0.844 7.515 ( 10.032 0.000 0.000) 10.032 7.591 ( 8.679 0.000 0.000) 8.679 7.759 ( -3.944 -0.000 0.000) 3.944 8.059 ( 2.660 0.000 0.000) 2.660 8.392 ( 2.370 0.000 0.000) 2.370 8.440 ( 1.865 0.000 0.000) 1.865 8.609 ( -9.758 -0.000 0.000) 9.758 8.936 ( -15.714 -0.000 0.000) 15.714 9.084 ( -2.466 -0.000 0.000) 2.466 9.185 ( 6.368 0.000 0.000) 6.368 9.251 ( 5.693 0.000 0.000) 5.693 9.254 ( 2.353 0.000 0.000) 2.353 9.944 ( -0.926 -0.000 0.000) 0.926 ======================= Grid point 79 (50/171) ======================= q-point: (-0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -17.164 0.244 0.000) 17.165 1.646 ( -6.511 1.525 0.000) 6.687 2.126 ( 1.397 0.652 0.000) 1.542 2.162 ( -5.624 -0.824 0.000) 5.684 2.355 ( -10.345 -1.954 0.000) 10.528 2.570 ( -8.779 -0.365 0.000) 8.786 2.643 ( -1.069 -1.284 0.000) 1.671 2.790 ( -9.417 -0.902 0.000) 9.460 3.194 ( -2.888 0.897 0.000) 3.024 3.388 ( 7.471 1.418 0.000) 7.604 3.452 ( 5.955 -0.294 0.000) 5.962 3.568 ( -9.641 1.173 0.000) 9.713 3.653 ( -18.300 0.580 0.000) 18.309 3.707 ( -10.502 -1.001 0.000) 10.550 3.821 ( -33.278 -0.734 0.000) 33.286 3.916 ( -4.926 0.347 0.000) 4.938 4.328 ( -26.229 0.200 0.000) 26.229 5.338 ( 4.839 0.414 0.000) 4.857 6.395 ( -2.994 0.028 0.000) 2.994 6.521 ( -47.482 0.017 0.000) 47.482 7.178 ( -1.764 -0.002 0.000) 1.764 7.204 ( 5.193 0.373 0.000) 5.206 7.452 ( 4.423 0.048 0.000) 4.423 7.665 ( -6.711 -0.266 0.000) 6.716 7.734 ( 12.237 0.552 0.000) 12.250 7.793 ( 11.329 0.044 0.000) 11.329 8.141 ( 4.378 -0.303 0.000) 4.388 8.343 ( -4.790 0.021 0.000) 4.790 8.390 ( -15.582 -0.832 0.000) 15.604 8.525 ( -0.087 2.032 0.000) 2.034 8.567 ( -15.500 -3.656 0.000) 15.926 9.041 ( -2.044 -0.400 0.000) 2.083 9.314 ( 6.863 0.301 0.000) 6.870 9.374 ( 10.066 0.262 0.000) 10.070 9.386 ( 8.066 -0.178 0.000) 8.068 9.954 ( 2.038 -0.039 0.000) 2.038 ======================= Grid point 80 (51/171) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -19.587 1.097 0.000) 19.618 1.537 ( -1.748 8.820 0.000) 8.992 2.045 ( -6.260 -0.990 0.000) 6.338 2.088 ( -19.116 -4.504 0.000) 19.640 2.153 ( 1.407 1.206 0.000) 1.853 2.459 ( -3.644 -0.082 0.000) 3.645 2.637 ( -0.867 -1.767 0.000) 1.968 2.647 ( -6.054 -2.902 0.000) 6.713 3.068 ( -15.103 5.942 0.000) 16.230 3.118 ( -36.644 -0.960 0.000) 36.656 3.186 ( -22.734 -4.035 0.000) 23.089 3.338 ( -13.078 1.822 0.000) 13.204 3.436 ( -16.245 -3.816 0.000) 16.687 3.481 ( 2.446 1.341 0.000) 2.790 3.571 ( 4.676 0.040 0.000) 4.676 3.858 ( -2.234 4.026 0.000) 4.604 3.976 ( -8.168 -4.253 0.000) 9.209 5.474 ( 8.955 1.658 0.000) 9.107 5.515 ( -55.003 0.235 0.000) 55.004 6.370 ( 0.434 -0.066 0.000) 0.439 7.099 ( -6.288 0.056 0.000) 6.288 7.185 ( -13.875 3.517 0.000) 14.314 7.335 ( -34.012 -9.384 0.000) 35.283 7.537 ( 4.176 0.166 0.000) 4.180 7.893 ( -11.377 1.394 0.000) 11.462 7.953 ( 10.387 1.434 0.000) 10.486 8.024 ( 3.533 -4.958 0.000) 6.088 8.218 ( -4.023 -0.082 0.000) 4.024 8.243 ( -5.135 -0.214 0.000) 5.139 8.392 ( 1.953 0.040 0.000) 1.953 8.595 ( 1.336 -0.632 0.000) 1.478 9.012 ( -1.309 -0.928 0.000) 1.604 9.437 ( 6.074 1.250 0.000) 6.201 9.546 ( 8.319 0.286 0.000) 8.324 9.612 ( 13.620 1.014 0.000) 13.658 10.015 ( 3.853 -0.103 0.000) 3.854 ======================= Grid point 81 (52/171) ======================= q-point: (-0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -15.834 3.164 0.000) 16.147 1.418 ( -11.720 16.105 0.000) 19.918 1.708 ( -14.127 1.563 0.000) 14.213 1.946 ( -4.122 -0.830 0.000) 4.205 2.147 ( -3.374 1.874 0.000) 3.859 2.379 ( -8.570 -1.214 0.000) 8.655 2.465 ( -24.481 -1.918 0.000) 24.556 2.573 ( -11.429 3.954 0.000) 12.094 2.601 ( -3.672 -5.831 0.000) 6.891 2.609 ( -6.992 -0.382 0.000) 7.002 3.034 ( -3.909 -2.557 0.000) 4.671 3.108 ( -9.111 -0.552 0.000) 9.127 3.175 ( -12.783 -6.357 0.000) 14.277 3.500 ( 0.784 2.426 0.000) 2.550 3.644 ( 2.804 0.032 0.000) 2.804 3.833 ( 3.216 2.824 0.000) 4.279 3.959 ( 1.375 -4.570 0.000) 4.772 4.532 ( -42.145 0.929 0.000) 42.155 5.623 ( 6.190 3.160 0.000) 6.950 5.989 ( -91.038 -16.988 0.000) 92.609 6.409 ( 3.127 -0.033 0.000) 3.127 6.957 ( -7.466 -0.063 0.000) 7.466 7.050 ( -13.589 -1.364 0.000) 13.658 7.601 ( 2.422 0.270 0.000) 2.437 7.771 ( -2.293 0.531 0.000) 2.353 8.101 ( 5.658 2.252 0.000) 6.089 8.103 ( -1.462 -0.241 0.000) 1.482 8.119 ( -4.344 0.039 0.000) 4.344 8.197 ( 1.918 -2.077 0.000) 2.827 8.478 ( 4.268 -0.578 0.000) 4.307 8.604 ( -0.224 -0.370 0.000) 0.432 9.000 ( -0.541 -1.425 0.000) 1.524 9.523 ( 3.607 2.528 0.000) 4.405 9.682 ( 5.547 0.750 0.000) 5.598 9.845 ( 10.147 0.938 0.000) 10.190 10.085 ( 2.946 -0.160 0.000) 2.950 ======================= Grid point 82 (53/171) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -0.000 5.930 0.000) 5.930 1.051 ( -0.000 12.141 0.000) 12.141 1.586 ( -0.000 19.534 0.000) 19.534 1.909 ( -0.000 0.400 0.000) 0.400 2.007 ( -0.000 0.200 0.000) 0.200 2.224 ( 0.000 -1.076 0.000) 1.076 2.294 ( 0.000 -3.409 0.000) 3.409 2.501 ( -0.000 3.099 0.000) 3.099 2.529 ( -0.000 2.497 0.000) 2.497 2.608 ( 0.000 -6.229 0.000) 6.229 2.973 ( 0.000 -3.426 0.000) 3.426 3.032 ( 0.000 -0.212 0.000) 0.212 3.083 ( 0.000 -10.275 0.000) 10.275 3.493 ( -0.000 3.067 0.000) 3.067 3.674 ( -0.000 0.031 0.000) 0.031 3.901 ( -0.000 0.593 0.000) 0.593 4.080 ( -0.000 1.772 0.000) 1.772 4.122 ( -0.000 0.223 0.000) 0.223 4.602 ( 0.000 -6.688 0.000) 6.688 5.680 ( -0.000 3.865 0.000) 3.865 6.452 ( -0.000 0.139 0.000) 0.139 6.871 ( 0.000 -0.329 0.000) 0.329 6.882 ( 0.000 -0.864 0.000) 0.864 7.624 ( -0.000 0.333 0.000) 0.333 7.750 ( -0.000 0.753 0.000) 0.753 8.070 ( -0.000 0.418 0.000) 0.418 8.074 ( -0.000 0.261 0.000) 0.261 8.143 ( -0.000 2.898 0.000) 2.898 8.244 ( 0.000 -2.993 0.000) 2.993 8.527 ( 0.000 -0.900 0.000) 0.900 8.603 ( 0.000 -0.330 0.000) 0.330 9.004 ( 0.000 -1.876 0.000) 1.876 9.543 ( -0.000 3.531 0.000) 3.531 9.734 ( -0.000 1.134 0.000) 1.134 9.952 ( 0.000 -0.451 0.000) 0.451 10.116 ( 0.000 -0.174 0.000) 0.174 ======================= Grid point 93 (54/171) ======================= q-point: (-0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -19.380 -0.000 0.000) 19.380 1.586 ( 0.494 0.000 0.000) 0.494 2.039 ( -6.365 -0.000 0.000) 6.365 2.061 ( -19.638 -0.000 0.000) 19.638 2.161 ( 1.779 0.000 0.000) 1.779 2.459 ( -3.610 -0.000 0.000) 3.610 2.627 ( -0.480 -0.000 0.000) 0.480 2.632 ( -6.370 -0.000 0.000) 6.370 3.113 ( -37.122 -0.000 0.000) 37.122 3.114 ( -5.190 -0.000 0.000) 5.190 3.151 ( -32.705 -0.000 0.000) 32.705 3.353 ( -12.824 -0.000 0.000) 12.824 3.410 ( -17.293 -0.000 0.000) 17.293 3.488 ( 2.845 0.000 0.000) 2.845 3.571 ( 4.589 0.000 0.000) 4.589 3.888 ( 0.213 0.000 0.000) 0.213 3.945 ( -11.191 -0.000 0.000) 11.191 5.483 ( 9.151 0.000 0.000) 9.151 5.516 ( -54.925 -0.000 0.000) 54.925 6.370 ( 0.427 0.000 0.000) 0.427 7.099 ( -6.290 -0.000 0.000) 6.290 7.218 ( -4.322 -0.000 0.000) 4.322 7.272 ( -46.666 -0.000 0.000) 46.666 7.538 ( 4.189 0.000 0.000) 4.189 7.903 ( -15.431 -0.000 0.000) 15.431 7.961 ( 10.445 0.000 0.000) 10.445 7.997 ( 8.961 0.000 0.000) 8.961 8.217 ( -3.965 -0.000 0.000) 3.965 8.242 ( -5.197 -0.000 0.000) 5.197 8.392 ( 1.793 0.000 0.000) 1.793 8.592 ( 1.538 0.000 0.000) 1.538 9.007 ( -1.325 -0.000 0.000) 1.325 9.443 ( 6.235 0.000 0.000) 6.235 9.548 ( 8.381 0.000 0.000) 8.381 9.617 ( 13.708 0.000 0.000) 13.708 10.014 ( 3.845 0.000 0.000) 3.845 ======================= Grid point 95 (55/171) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -15.251 1.021 0.000) 15.285 1.553 ( -22.638 9.401 0.000) 24.512 1.692 ( 0.906 -3.479 0.000) 3.595 1.935 ( -4.192 -0.785 0.000) 4.265 2.167 ( -3.601 1.333 0.000) 3.840 2.371 ( -9.181 -0.456 0.000) 9.192 2.459 ( -24.927 0.223 0.000) 24.928 2.552 ( -3.171 -3.078 0.000) 4.420 2.601 ( -4.446 0.940 0.000) 4.544 2.611 ( -12.955 0.968 0.000) 12.991 3.015 ( -4.697 -0.957 0.000) 4.793 3.102 ( -11.843 -0.820 0.000) 11.871 3.131 ( -11.185 -1.907 0.000) 11.347 3.517 ( 0.764 0.862 0.000) 1.152 3.644 ( 2.782 -0.050 0.000) 2.782 3.866 ( 3.393 3.485 0.000) 4.864 3.914 ( 1.460 -4.136 0.000) 4.386 4.539 ( -41.890 0.334 0.000) 41.892 5.646 ( 6.816 1.271 0.000) 6.933 5.874 ( -90.896 -5.736 0.000) 91.077 6.409 ( 3.185 -0.013 0.000) 3.185 6.957 ( -7.559 -0.022 0.000) 7.559 7.042 ( -12.843 -0.425 0.000) 12.850 7.603 ( 2.429 0.101 0.000) 2.431 7.775 ( -2.226 0.208 0.000) 2.236 8.100 ( -0.386 -0.158 0.000) 0.417 8.116 ( 5.678 0.788 0.000) 5.732 8.119 ( -4.320 0.029 0.000) 4.320 8.184 ( 1.245 -0.654 0.000) 1.406 8.474 ( 4.088 -0.243 0.000) 4.096 8.602 ( -0.138 -0.127 0.000) 0.188 8.991 ( -0.552 -0.487 0.000) 0.736 9.541 ( 3.804 0.897 0.000) 3.908 9.688 ( 5.657 0.272 0.000) 5.664 9.850 ( 9.561 0.259 0.000) 9.565 10.084 ( 2.939 -0.067 0.000) 2.939 ======================= Grid point 96 (56/171) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.000 2.803 0.000) 2.803 1.146 ( -0.000 6.396 0.000) 6.396 1.742 ( -0.000 10.662 0.000) 10.662 1.900 ( 0.000 -1.521 0.000) 1.521 2.009 ( -0.000 0.111 0.000) 0.111 2.215 ( 0.000 -0.553 0.000) 0.553 2.291 ( -0.000 1.773 0.000) 1.773 2.530 ( -0.000 2.225 0.000) 2.225 2.548 ( 0.000 -5.167 0.000) 5.167 2.551 ( -0.000 1.585 0.000) 1.585 2.941 ( 0.000 -2.532 0.000) 2.532 2.997 ( 0.000 -6.347 0.000) 6.347 3.032 ( -0.000 0.169 0.000) 0.169 3.517 ( -0.000 1.615 0.000) 1.615 3.673 ( 0.000 -0.097 0.000) 0.097 3.905 ( -0.000 0.316 0.000) 0.316 4.094 ( -0.000 0.983 0.000) 0.983 4.124 ( -0.000 0.136 0.000) 0.136 4.546 ( 0.000 -3.996 0.000) 3.996 5.711 ( -0.000 2.125 0.000) 2.125 6.453 ( -0.000 0.075 0.000) 0.075 6.868 ( 0.000 -0.185 0.000) 0.185 6.875 ( 0.000 -0.480 0.000) 0.480 7.626 ( -0.000 0.199 0.000) 0.199 7.756 ( -0.000 0.432 0.000) 0.432 8.074 ( -0.000 0.281 0.000) 0.281 8.076 ( -0.000 0.094 0.000) 0.094 8.166 ( -0.000 1.560 0.000) 1.560 8.220 ( 0.000 -1.559 0.000) 1.559 8.518 ( 0.000 -0.630 0.000) 0.630 8.600 ( 0.000 -0.183 0.000) 0.183 8.989 ( 0.000 -0.975 0.000) 0.975 9.571 ( -0.000 1.948 0.000) 1.948 9.743 ( -0.000 0.644 0.000) 0.644 9.949 ( 0.000 -0.263 0.000) 0.263 10.115 ( 0.000 -0.131 0.000) 0.131 ======================= Grid point 110 (57/171) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -0.000 0.000 0.000) 0.000 1.179 ( -0.000 0.000 0.000) 0.000 1.797 ( -0.000 0.000 0.000) 0.000 1.891 ( -0.000 0.000 0.000) 0.000 2.010 ( -0.000 0.000 0.000) 0.000 2.213 ( -0.000 0.000 0.000) 0.000 2.305 ( -0.000 0.000 0.000) 0.000 2.517 ( -0.000 0.000 0.000) 0.000 2.542 ( -0.000 0.000 0.000) 0.000 2.559 ( 0.000 -0.000 0.000) 0.000 2.927 ( -0.000 0.000 0.000) 0.000 2.963 ( -0.000 0.001 0.000) 0.001 3.033 ( -0.000 0.000 0.000) 0.000 3.526 ( -0.000 0.000 0.000) 0.000 3.673 ( -0.000 0.000 0.000) 0.000 3.907 ( -0.000 0.000 0.000) 0.000 4.099 ( -0.000 0.000 0.000) 0.000 4.124 ( -0.000 0.000 0.000) 0.000 4.525 ( -0.000 0.001 0.000) 0.001 5.722 ( -0.000 0.000 0.000) 0.000 6.453 ( -0.000 0.000 0.000) 0.000 6.867 ( -0.000 0.000 0.000) 0.000 6.872 ( -0.000 0.000 0.000) 0.000 7.627 ( -0.000 0.000 0.000) 0.000 7.758 ( -0.000 0.000 0.000) 0.000 8.075 ( 0.000 -0.000 0.000) 0.000 8.076 ( -0.000 0.000 0.000) 0.000 8.174 ( -0.000 0.000 0.000) 0.000 8.212 ( -0.000 0.000 0.000) 0.000 8.515 ( -0.000 0.000 0.000) 0.000 8.599 ( -0.000 0.000 0.000) 0.000 8.984 ( -0.000 0.000 0.000) 0.000 9.581 ( -0.000 0.000 0.000) 0.000 9.746 ( -0.000 0.000 0.000) 0.000 9.947 ( -0.000 0.001 0.000) 0.001 10.114 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 205 (58/171) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 0.000 0.000 17.791) 17.791 0.632 ( 0.000 0.000 29.484) 29.484 1.229 ( 0.000 0.000 51.376) 51.376 1.661 ( 0.000 0.000 -12.053) 12.053 1.910 ( 0.000 0.000 -8.699) 8.699 2.313 ( 0.000 0.000 1.563) 1.563 2.408 ( 0.000 0.000 -0.836) 0.836 2.517 ( 0.000 0.000 11.234) 11.234 2.839 ( 0.000 0.000 -7.265) 7.265 2.999 ( 0.000 0.000 1.547) 1.547 3.130 ( 0.000 0.000 -1.546) 1.546 3.285 ( 0.000 0.000 7.032) 7.032 3.531 ( 0.000 0.000 -0.445) 0.445 3.591 ( 0.000 0.000 -7.096) 7.096 3.830 ( 0.000 0.000 2.119) 2.119 4.029 ( 0.000 0.000 2.809) 2.809 4.093 ( 0.000 0.000 -2.619) 2.619 4.122 ( 0.000 0.000 0.544) 0.544 4.131 ( 0.000 0.000 7.505) 7.505 5.305 ( 0.000 0.000 -17.362) 17.362 6.882 ( 0.000 0.000 -0.298) 0.298 6.911 ( 0.000 0.000 -0.954) 0.954 7.647 ( 0.000 0.000 3.032) 3.032 7.739 ( 0.000 0.000 1.889) 1.889 7.949 ( 0.000 0.000 2.293) 2.293 8.052 ( 0.000 0.000 0.007) 0.007 8.058 ( 0.000 0.000 -0.105) 0.105 8.355 ( 0.000 0.000 -3.673) 3.673 8.466 ( 0.000 0.000 -0.679) 0.679 8.483 ( 0.000 0.000 -4.667) 4.667 8.957 ( 0.000 0.000 1.956) 1.956 9.161 ( 0.000 0.000 0.017) 0.017 9.272 ( 0.000 0.000 3.685) 3.685 9.641 ( 0.000 0.000 -3.779) 3.779 10.122 ( 0.000 0.000 0.359) 0.359 10.200 ( 0.000 0.000 -0.743) 0.743 ======================= Grid point 206 (59/171) ======================= q-point: ( 0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 21.926 -6.009 11.693) 25.565 1.037 ( 22.325 -2.604 24.721) 33.412 1.542 ( 29.134 -2.417 28.366) 40.734 1.747 ( 9.756 -0.510 -2.959) 10.207 2.135 ( 17.218 -0.057 -8.748) 19.313 2.487 ( 6.666 2.017 2.691) 7.466 2.509 ( 2.937 -1.323 8.417) 9.012 2.563 ( 19.430 -0.263 -1.616) 19.499 2.897 ( 9.777 3.489 -6.133) 12.057 3.085 ( 5.787 0.512 8.398) 10.212 3.158 ( 2.385 1.085 -0.685) 2.708 3.278 ( -3.517 -1.289 11.783) 12.364 3.335 ( -3.281 0.392 12.266) 12.703 3.527 ( 0.537 1.674 -0.497) 1.827 3.554 ( -2.885 -0.205 -6.402) 7.025 3.805 ( -2.441 0.066 2.158) 3.259 4.055 ( -2.962 -0.110 -2.472) 3.860 4.461 ( 38.146 -0.381 -2.298) 38.217 5.288 ( -0.090 -0.883 -12.657) 12.688 5.650 ( 50.802 0.868 -40.538) 64.999 6.913 ( 4.115 0.189 -0.875) 4.211 6.988 ( 6.837 0.115 -2.092) 7.151 7.621 ( -2.620 0.127 2.791) 3.831 7.738 ( -0.301 -0.095 1.450) 1.484 7.891 ( -5.029 0.264 0.695) 5.084 8.070 ( 0.903 0.213 -0.382) 1.004 8.115 ( 5.096 -0.125 0.737) 5.151 8.302 ( -3.821 1.837 -2.311) 4.829 8.444 ( -1.524 2.288 -0.609) 2.816 8.483 ( -0.827 -0.561 -3.329) 3.475 8.929 ( 1.575 10.346 3.069) 10.905 9.150 ( -1.091 -0.302 -0.990) 1.504 9.259 ( -2.386 -4.323 3.239) 5.906 9.564 ( -7.743 -1.762 -1.491) 8.080 9.848 ( -17.158 1.751 16.694) 24.003 10.092 ( -3.542 -1.155 0.102) 3.727 ======================= Grid point 207 (60/171) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 25.686 -3.060 8.282) 27.161 1.431 ( 18.991 -2.620 23.165) 30.069 1.899 ( 11.528 -1.011 -6.431) 13.239 2.185 ( 24.977 -2.107 19.041) 31.478 2.352 ( 4.516 2.809 -6.197) 8.166 2.524 ( 2.792 0.156 5.061) 5.782 2.624 ( 5.771 -0.536 -0.946) 5.872 2.952 ( 13.207 -0.037 9.225) 16.110 3.156 ( 1.491 4.507 1.822) 5.085 3.204 ( 2.658 0.183 1.436) 3.027 3.295 ( 28.399 2.254 -0.189) 28.489 3.351 ( 14.574 -1.599 5.813) 15.772 3.474 ( 4.005 1.661 -1.899) 4.733 3.507 ( 7.263 -0.376 -0.922) 7.331 3.569 ( 5.386 0.548 0.316) 5.423 3.771 ( 1.256 -0.625 1.988) 2.433 4.002 ( -2.125 -1.414 -1.856) 3.156 5.004 ( 6.330 -1.775 -23.370) 24.277 5.634 ( 43.296 -0.203 6.946) 43.850 6.212 ( 15.867 0.319 -13.517) 20.846 7.040 ( 7.881 0.150 -3.108) 8.473 7.112 ( 4.578 -0.261 -3.074) 5.521 7.551 ( -4.467 0.058 2.096) 4.934 7.721 ( -2.849 -0.585 -1.697) 3.367 7.775 ( -5.053 0.545 1.456) 5.287 8.008 ( -7.596 1.367 -1.096) 7.796 8.234 ( 5.325 -0.282 1.553) 5.554 8.273 ( 2.267 0.551 -0.097) 2.335 8.380 ( -3.136 -0.698 1.191) 3.426 8.465 ( -0.642 1.073 -2.852) 3.114 8.947 ( 5.433 11.074 0.644) 12.352 9.131 ( -1.071 -1.237 -2.743) 3.194 9.233 ( -2.043 -3.571 2.723) 4.934 9.426 ( -6.497 -2.231 1.438) 7.018 9.617 ( -9.104 0.112 10.289) 13.739 10.015 ( -4.379 -0.521 -0.885) 4.498 ======================= Grid point 208 (61/171) ======================= q-point: ( 0.21 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 23.306 0.884 5.875) 24.051 1.791 ( 16.296 -2.403 16.473) 23.296 2.119 ( 10.919 -0.181 2.954) 11.313 2.337 ( -1.461 5.105 -2.289) 5.783 2.526 ( 8.422 -0.321 12.448) 15.033 2.637 ( 10.496 0.549 -3.354) 11.033 2.748 ( 5.926 -0.350 -3.786) 7.041 3.106 ( 1.262 2.517 7.718) 8.215 3.143 ( 4.151 -0.832 7.802) 8.876 3.177 ( -4.335 -0.867 0.482) 4.447 3.397 ( -5.082 -0.050 -2.571) 5.696 3.610 ( 6.899 1.977 4.538) 8.491 3.631 ( 6.141 -0.452 1.128) 6.260 3.675 ( 5.858 -2.795 0.445) 6.506 3.889 ( 10.583 1.666 -2.471) 10.995 3.971 ( 23.227 1.562 1.369) 23.320 4.179 ( 25.412 -4.373 -0.957) 25.804 5.047 ( 1.750 -1.434 -19.700) 19.830 6.431 ( 8.939 -0.080 3.161) 9.482 6.530 ( 43.436 -0.045 0.915) 43.446 7.134 ( -2.376 -0.528 -1.939) 3.113 7.159 ( 3.468 -0.163 -1.725) 3.877 7.457 ( -5.008 0.043 0.832) 5.077 7.593 ( -7.994 -1.318 -3.075) 8.666 7.760 ( 1.388 1.351 2.045) 2.817 7.826 ( -8.879 0.723 1.106) 8.977 8.190 ( -6.947 -1.125 4.192) 8.191 8.325 ( 1.784 -0.595 -0.391) 1.921 8.445 ( -1.069 0.334 -1.946) 2.245 8.471 ( 9.368 -0.024 -1.177) 9.442 9.000 ( 4.731 6.727 -0.519) 8.240 9.119 ( -1.098 -0.578 -2.787) 3.050 9.224 ( 0.082 -0.127 1.848) 1.854 9.353 ( -1.583 -0.114 0.283) 1.612 9.457 ( -7.639 -0.181 7.448) 10.671 9.946 ( -2.564 -0.125 -1.899) 3.193 ======================= Grid point 209 (62/171) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 14.823 4.586 3.813) 15.978 2.045 ( 8.607 -1.709 7.777) 11.725 2.282 ( -0.910 3.053 1.609) 3.569 2.333 ( 11.099 0.513 13.264) 17.302 2.633 ( 4.150 1.106 7.356) 8.518 2.826 ( 4.330 3.350 -3.821) 6.676 2.831 ( 7.522 2.774 -4.977) 9.436 3.038 ( -9.196 -1.785 1.212) 9.445 3.065 ( -4.867 -2.060 -0.255) 5.292 3.259 ( 5.015 1.019 12.196) 13.226 3.296 ( -4.744 0.247 -0.220) 4.756 3.610 ( -0.785 -1.803 3.321) 3.860 3.742 ( -0.007 -2.403 0.409) 2.438 3.824 ( 8.871 -0.126 0.232) 8.875 3.992 ( 6.480 -3.747 -1.694) 7.675 4.477 ( 23.408 0.877 0.567) 23.431 4.692 ( 23.028 -2.198 -0.606) 23.140 5.122 ( 5.461 -0.065 -16.953) 17.811 6.580 ( 6.561 -0.304 9.262) 11.354 6.979 ( -6.660 0.018 -3.668) 7.604 7.172 ( -1.939 0.038 -0.361) 1.973 7.277 ( 25.072 -0.184 -2.002) 25.153 7.365 ( -3.122 -0.038 -0.328) 3.139 7.480 ( -3.622 -0.780 0.267) 3.715 7.679 ( -3.317 0.594 6.140) 7.004 7.814 ( 3.041 0.655 1.414) 3.417 8.073 ( -4.897 -1.049 4.331) 6.622 8.322 ( -2.491 -1.425 -2.700) 3.941 8.428 ( -0.499 0.366 1.406) 1.536 8.648 ( 8.271 0.523 -3.255) 8.904 9.059 ( 2.144 1.801 -1.397) 3.129 9.101 ( 1.186 0.270 -0.495) 1.313 9.229 ( 0.623 2.058 1.296) 2.511 9.324 ( -5.222 0.039 3.980) 6.566 9.357 ( 1.077 2.635 1.062) 3.038 9.927 ( 0.600 0.135 -2.819) 2.886 ======================= Grid point 210 (63/171) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 1.380 3.822 1.794) 4.442 2.143 ( 0.315 1.393 3.757) 4.019 2.260 ( -0.494 1.086 1.434) 1.866 2.544 ( 9.886 0.827 21.003) 23.228 2.626 ( -8.526 -0.321 5.463) 10.131 2.775 ( -5.983 2.238 5.146) 8.203 2.838 ( -1.707 2.407 -1.143) 3.165 2.968 ( -3.879 -1.101 -2.233) 4.609 3.048 ( 9.807 2.843 -5.568) 11.630 3.206 ( -4.049 0.291 1.997) 4.524 3.342 ( 3.801 1.308 7.831) 8.802 3.624 ( 1.051 -3.170 1.697) 3.747 3.743 ( -1.472 -5.402 -0.492) 5.621 3.964 ( 5.206 -0.191 0.231) 5.215 4.148 ( 6.814 -3.907 -1.408) 7.980 4.834 ( 14.018 0.102 0.488) 14.027 5.044 ( 12.118 -0.638 -1.443) 12.220 5.250 ( 7.906 0.346 -15.407) 17.320 6.681 ( 3.622 -0.242 7.075) 7.952 6.792 ( -10.426 0.679 -1.369) 10.537 7.107 ( -4.064 -0.039 -0.235) 4.071 7.281 ( -2.778 -0.014 -5.019) 5.737 7.468 ( 1.754 0.076 8.845) 9.018 7.547 ( 1.734 0.141 5.390) 5.663 7.825 ( 15.846 -0.055 1.331) 15.902 7.862 ( 2.145 0.312 2.660) 3.431 8.030 ( -0.128 -0.774 1.589) 1.772 8.271 ( -2.757 -0.946 -2.489) 3.833 8.414 ( -0.990 -0.227 2.764) 2.944 8.762 ( 3.665 0.689 -6.561) 7.547 9.058 ( 0.445 0.033 1.957) 2.007 9.181 ( 5.055 0.643 -1.303) 5.259 9.215 ( -1.226 1.456 2.747) 3.342 9.250 ( -1.673 0.729 3.067) 3.569 9.361 ( 0.300 3.448 -0.660) 3.523 9.958 ( 2.290 0.216 -3.470) 4.164 ======================= Grid point 211 (64/171) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -11.066 3.761 5.291) 12.830 2.100 ( -3.987 -0.593 1.260) 4.224 2.235 ( -1.370 -0.791 0.759) 1.754 2.370 ( -10.944 0.783 0.281) 10.975 2.680 ( 4.119 0.940 14.120) 14.739 2.753 ( 0.934 1.963 19.378) 19.500 2.784 ( -0.461 0.724 1.976) 2.155 2.966 ( 1.969 1.401 -0.561) 2.480 3.132 ( -3.433 -0.252 2.912) 4.509 3.226 ( 8.809 1.285 -5.234) 10.326 3.385 ( 0.911 1.136 2.358) 2.771 3.673 ( 2.307 -1.599 0.594) 2.869 3.738 ( -1.836 -4.808 -0.651) 5.187 4.025 ( 1.377 -0.084 1.075) 1.749 4.274 ( 4.170 -2.654 -1.898) 5.295 5.027 ( 6.330 -0.540 1.936) 6.641 5.177 ( 3.308 1.469 -5.757) 6.800 5.399 ( 6.236 -0.585 -12.767) 14.220 6.615 ( -6.713 0.810 -0.812) 6.810 6.722 ( 0.846 0.088 1.157) 1.436 7.042 ( -2.284 -0.244 0.600) 2.374 7.251 ( -0.659 -0.031 -5.927) 5.964 7.518 ( 2.762 0.350 18.212) 18.424 7.565 ( 0.815 0.009 8.782) 8.820 7.883 ( 0.700 -0.082 4.151) 4.210 8.049 ( 2.516 -0.090 -2.764) 3.738 8.069 ( 6.169 -0.164 -2.552) 6.678 8.247 ( 0.460 -0.510 0.020) 0.687 8.396 ( -0.946 -0.396 2.569) 2.766 8.792 ( 0.308 0.245 -8.744) 8.753 9.082 ( 1.522 0.309 4.440) 4.704 9.190 ( -0.197 -0.088 3.933) 3.939 9.227 ( -0.350 1.260 0.982) 1.636 9.266 ( 3.207 0.457 -1.176) 3.446 9.332 ( -1.511 2.139 -0.874) 2.761 9.999 ( 1.727 0.147 -3.835) 4.208 ======================= Grid point 212 (65/171) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 0.000 -0.000 6.795) 6.795 2.034 ( 0.000 -0.000 0.689) 0.689 2.224 ( -0.000 0.000 0.316) 0.316 2.276 ( 0.000 -0.000 0.706) 0.706 2.717 ( -0.000 -0.000 -0.144) 0.144 2.739 ( 0.001 -0.000 14.060) 14.060 2.802 ( 0.000 -0.000 23.058) 23.058 2.989 ( -0.000 0.000 1.250) 1.250 3.093 ( 0.000 -0.000 2.318) 2.318 3.352 ( -0.024 0.002 -1.430) 1.430 3.352 ( 0.025 -0.002 -3.690) 3.690 3.710 ( -0.000 -0.001 0.027) 0.028 3.724 ( 0.000 -0.000 -0.211) 0.211 4.035 ( 0.000 0.000 1.682) 1.682 4.322 ( 0.000 0.000 -2.176) 2.176 5.090 ( -0.000 -0.000 3.975) 3.975 5.199 ( 0.000 -0.000 -8.527) 8.527 5.464 ( 0.000 -0.000 -12.137) 12.137 6.546 ( 0.000 -0.000 -0.815) 0.815 6.727 ( 0.000 -0.000 -1.666) 1.666 7.022 ( 0.000 -0.000 1.194) 1.194 7.246 ( 0.000 -0.000 -6.137) 6.137 7.547 ( 0.000 -0.000 22.105) 22.105 7.574 ( 0.000 -0.000 9.408) 9.408 7.890 ( 0.000 -0.000 4.374) 4.374 8.067 ( -0.000 -0.000 -3.988) 3.988 8.122 ( 0.000 -0.000 -4.437) 4.437 8.270 ( 0.000 -0.000 1.849) 1.849 8.386 ( 0.000 -0.000 2.120) 2.120 8.792 ( 0.000 -0.000 -9.161) 9.161 9.097 ( 0.000 -0.000 5.039) 5.039 9.195 ( 0.000 -0.000 3.979) 3.979 9.221 ( 0.000 -0.000 1.563) 1.563 9.294 ( -0.000 -0.000 -1.176) 1.176 9.307 ( 0.000 -0.000 -1.817) 1.817 10.016 ( 0.000 -0.000 -3.947) 3.947 ======================= Grid point 221 (66/171) ======================= q-point: ( 0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 27.128 0.000 8.545) 28.442 1.417 ( 19.341 0.000 22.965) 30.025 1.894 ( 11.911 0.000 -6.300) 13.474 2.173 ( 25.517 0.000 19.633) 32.196 2.366 ( 5.418 0.000 -7.366) 9.143 2.526 ( 2.173 0.000 6.115) 6.490 2.621 ( 5.696 0.000 -1.339) 5.851 2.951 ( 12.880 0.000 8.922) 15.668 3.187 ( -0.210 -0.000 -0.068) 0.220 3.197 ( 2.903 0.000 3.145) 4.280 3.312 ( 29.711 0.000 -3.528) 29.919 3.337 ( 14.286 0.000 10.263) 17.591 3.487 ( -3.935 -0.000 -4.730) 6.153 3.502 ( 15.839 0.000 1.621) 15.921 3.572 ( 4.577 0.000 -0.068) 4.578 3.768 ( 1.433 0.000 2.044) 2.497 3.994 ( -2.950 -0.000 -1.843) 3.479 4.994 ( 6.339 0.000 -23.507) 24.347 5.633 ( 43.502 0.000 7.012) 44.064 6.214 ( 15.650 0.000 -13.477) 20.653 7.040 ( 7.776 0.000 -3.163) 8.395 7.111 ( 4.473 0.000 -3.140) 5.465 7.551 ( -4.481 -0.000 2.114) 4.955 7.718 ( -3.406 -0.000 -2.080) 3.991 7.778 ( -4.578 -0.000 1.994) 4.993 8.016 ( -7.648 -0.000 -1.362) 7.768 8.232 ( 5.215 0.000 1.563) 5.444 8.276 ( 1.772 0.000 -0.207) 1.784 8.375 ( -3.151 -0.000 1.301) 3.409 8.471 ( -0.962 -0.000 -3.484) 3.615 9.021 ( 4.797 0.000 -3.644) 6.024 9.108 ( -2.585 -0.000 -2.319) 3.472 9.215 ( -0.558 -0.000 4.578) 4.612 9.414 ( -6.017 -0.000 2.559) 6.538 9.617 ( -9.269 -0.000 10.754) 14.197 10.013 ( -4.199 -0.000 -1.076) 4.335 ======================= Grid point 222 (67/171) ======================= q-point: ( 0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 24.751 0.453 6.107) 25.497 1.774 ( 16.694 -0.856 16.202) 23.279 2.118 ( 11.207 -0.092 3.273) 11.675 2.374 ( -2.213 2.015 -3.678) 4.742 2.523 ( 9.091 -0.200 14.339) 16.979 2.639 ( 11.529 0.013 -3.887) 12.166 2.743 ( 6.340 -0.361 -3.873) 7.438 3.118 ( 5.336 -0.371 11.104) 12.325 3.143 ( -3.447 1.221 -0.253) 3.665 3.174 ( -2.354 -0.332 4.932) 5.475 3.399 ( -4.775 0.337 -2.208) 5.271 3.617 ( -1.004 -0.317 3.895) 4.035 3.633 ( 13.113 0.648 2.914) 13.448 3.654 ( 6.220 -1.096 -0.565) 6.341 3.903 ( 8.835 0.785 -2.822) 9.308 3.984 ( 19.912 0.845 1.103) 19.960 4.144 ( 29.091 -2.090 -0.624) 29.173 5.037 ( 2.294 -0.514 -19.842) 19.981 6.430 ( 8.794 -0.031 3.139) 9.337 6.530 ( 43.518 -0.020 0.966) 43.529 7.130 ( -2.464 -0.173 -1.998) 3.177 7.158 ( 3.616 -0.055 -1.820) 4.049 7.458 ( -5.020 0.029 0.809) 5.085 7.583 ( -7.822 -0.498 -2.849) 8.340 7.770 ( 1.728 0.495 2.030) 2.712 7.832 ( -9.708 0.274 1.174) 9.782 8.182 ( -6.858 -0.408 3.925) 7.913 8.321 ( 1.393 -0.223 -0.544) 1.512 8.447 ( -1.139 0.131 -2.130) 2.419 8.471 ( 9.554 -0.009 -1.197) 9.629 9.058 ( 1.269 4.466 -1.675) 4.935 9.102 ( -0.031 -2.497 -3.843) 4.583 9.225 ( 1.221 0.204 2.748) 3.014 9.352 ( -0.280 -0.076 1.006) 1.047 9.456 ( -7.675 -0.061 7.652) 10.838 9.945 ( -2.424 -0.054 -1.994) 3.139 ======================= Grid point 223 (68/171) ======================= q-point: ( 0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 15.228 2.864 4.235) 16.063 2.032 ( 9.864 -0.920 7.509) 12.431 2.308 ( -1.747 2.033 0.969) 2.850 2.335 ( 10.601 -0.077 13.879) 17.465 2.642 ( 4.691 0.730 7.158) 8.589 2.843 ( 3.648 0.437 -3.367) 4.984 2.854 ( 8.359 1.546 -4.847) 9.786 3.024 ( -8.356 -0.833 0.809) 8.436 3.054 ( -5.339 -0.325 -1.044) 5.450 3.267 ( 5.845 0.378 12.203) 13.536 3.302 ( -4.838 0.794 0.435) 4.922 3.595 ( -0.896 -1.124 3.242) 3.547 3.716 ( -1.897 -2.258 0.293) 2.963 3.839 ( 9.186 2.676 0.752) 9.597 3.950 ( 5.395 -4.277 -1.745) 7.102 4.484 ( 23.066 0.486 0.133) 23.072 4.675 ( 23.576 -1.198 -0.401) 23.610 5.121 ( 6.053 -0.017 -16.946) 17.994 6.578 ( 6.528 -0.175 9.264) 11.335 6.980 ( -6.529 0.016 -3.637) 7.473 7.172 ( -1.913 0.019 -0.427) 1.960 7.275 ( 25.442 -0.096 -1.996) 25.521 7.364 ( -3.246 -0.016 -0.468) 3.280 7.474 ( -3.174 -0.433 0.387) 3.227 7.684 ( -3.765 0.373 6.263) 7.317 7.819 ( 2.970 0.310 1.535) 3.357 8.065 ( -4.721 -0.537 3.963) 6.187 8.310 ( -2.374 -0.782 -2.683) 3.667 8.431 ( -0.677 0.206 1.268) 1.452 8.651 ( 8.406 0.239 -3.354) 9.054 9.072 ( -0.659 0.818 -1.434) 1.778 9.103 ( 2.713 0.173 -0.928) 2.872 9.246 ( 1.021 1.299 1.731) 2.393 9.323 ( -5.690 -0.194 4.863) 7.487 9.380 ( 2.045 1.662 0.080) 2.636 9.929 ( 0.663 0.072 -2.780) 2.858 ======================= Grid point 224 (69/171) ======================= q-point: ( 0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 1.338 0.899 1.713) 2.352 2.165 ( -0.445 2.408 2.343) 3.389 2.273 ( -0.690 1.438 2.079) 2.621 2.548 ( 9.913 0.095 25.448) 27.311 2.623 ( -10.468 -0.206 0.306) 10.474 2.795 ( -3.509 1.576 7.343) 8.290 2.849 ( -3.839 -0.240 -1.267) 4.050 2.968 ( -1.141 0.886 -2.528) 2.912 3.078 ( 9.360 2.695 -6.228) 11.562 3.211 ( -4.199 0.695 2.713) 5.047 3.356 ( 3.942 1.407 7.484) 8.575 3.599 ( 0.978 -1.691 1.471) 2.445 3.684 ( -2.153 -5.904 -0.136) 6.286 3.973 ( 5.665 1.917 0.289) 5.987 4.103 ( 6.760 -4.710 -1.374) 8.353 4.835 ( 13.676 0.106 -0.293) 13.679 5.040 ( 13.724 -0.139 -0.805) 13.748 5.252 ( 7.213 0.121 -15.455) 17.056 6.679 ( 3.756 -0.179 7.210) 8.132 6.797 ( -10.229 0.415 -1.438) 10.338 7.106 ( -4.159 -0.025 -0.324) 4.171 7.281 ( -2.780 0.004 -5.087) 5.797 7.468 ( 2.033 0.063 8.809) 9.041 7.548 ( 1.661 0.124 5.500) 5.747 7.825 ( 16.053 -0.028 1.421) 16.116 7.864 ( 1.625 0.065 3.111) 3.510 8.024 ( 0.225 -0.344 1.115) 1.188 8.262 ( -2.518 -0.748 -2.541) 3.655 8.413 ( -1.161 -0.069 2.813) 3.044 8.768 ( 3.488 0.384 -6.766) 7.622 9.059 ( 0.524 0.047 2.221) 2.282 9.186 ( 4.882 0.430 -1.436) 5.107 9.226 ( -2.686 0.635 4.095) 4.938 9.258 ( -0.610 0.809 1.785) 2.053 9.391 ( -0.092 2.444 -0.817) 2.579 9.960 ( 2.283 0.155 -3.370) 4.073 ======================= Grid point 225 (70/171) ======================= q-point: ( 0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -12.244 3.074 3.781) 13.178 2.096 ( -4.343 -0.363 0.915) 4.453 2.228 ( -2.266 -0.458 1.550) 2.783 2.377 ( -9.705 0.511 0.743) 9.747 2.688 ( 4.304 0.670 18.113) 18.629 2.770 ( -1.282 1.255 8.918) 9.097 2.791 ( 0.402 0.843 8.986) 9.034 2.981 ( 1.676 1.404 -0.318) 2.209 3.131 ( -3.705 -0.023 3.163) 4.872 3.238 ( 7.704 1.088 -5.585) 9.577 3.397 ( 0.650 1.280 2.363) 2.764 3.656 ( 3.182 -2.105 0.207) 3.821 3.690 ( 0.040 -4.090 -0.340) 4.104 4.033 ( 1.852 1.701 1.123) 2.754 4.238 ( 4.587 -4.212 -2.042) 6.554 5.022 ( 6.140 -0.379 0.762) 6.199 5.201 ( 4.405 3.018 -4.209) 6.799 5.387 ( 5.595 -1.815 -13.287) 14.531 6.622 ( -6.984 0.514 -0.888) 7.059 6.723 ( 0.942 0.057 1.330) 1.631 7.040 ( -2.305 -0.195 0.595) 2.388 7.251 ( -0.624 0.030 -5.956) 5.989 7.521 ( 2.708 0.274 18.051) 18.255 7.565 ( 0.798 0.044 8.836) 8.872 7.881 ( 0.546 -0.285 4.590) 4.631 8.050 ( 2.379 0.260 -2.887) 3.750 8.067 ( 6.625 -0.156 -2.661) 7.141 8.242 ( 0.623 -0.584 -0.055) 0.856 8.393 ( -0.827 -0.201 2.700) 2.831 8.794 ( 0.112 0.145 -8.785) 8.787 9.085 ( 1.520 0.221 4.529) 4.783 9.189 ( -0.486 -0.116 4.045) 4.076 9.239 ( -0.939 1.007 0.820) 1.602 9.269 ( 3.302 0.243 -1.522) 3.644 9.353 ( -2.431 1.902 -0.657) 3.156 10.000 ( 1.668 0.129 -3.759) 4.115 ======================= Grid point 226 (71/171) ======================= q-point: ( 0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -2.079 0.492 6.634) 6.969 2.039 ( 1.393 0.954 0.559) 1.778 2.212 ( 0.051 -2.019 0.653) 2.123 2.283 ( -0.940 1.204 0.595) 1.640 2.719 ( -0.766 0.271 0.475) 0.941 2.740 ( -0.600 0.175 13.138) 13.153 2.800 ( -0.783 -0.389 23.412) 23.428 2.988 ( -1.208 -0.151 1.161) 1.682 3.093 ( 0.480 -0.004 2.310) 2.360 3.347 ( 2.909 -0.626 -2.081) 3.631 3.354 ( -4.372 0.146 -2.949) 5.276 3.696 ( 0.298 -1.435 0.395) 1.517 3.738 ( 3.343 1.466 -0.525) 3.688 4.044 ( 0.567 1.832 1.751) 2.597 4.310 ( 0.836 -2.436 -2.278) 3.438 5.087 ( 0.322 -0.564 3.326) 3.389 5.217 ( -0.264 3.360 -7.880) 8.570 5.454 ( -0.076 -1.916 -12.176) 12.326 6.545 ( -0.579 -0.183 -0.793) 0.999 6.727 ( -0.135 0.001 -1.664) 1.669 7.022 ( 0.203 -0.028 1.195) 1.212 7.247 ( 0.051 0.099 -6.158) 6.159 7.547 ( -0.248 0.007 22.125) 22.127 7.575 ( 0.016 0.034 9.389) 9.389 7.889 ( 0.026 -0.284 4.334) 4.343 8.070 ( 0.229 0.476 -3.968) 4.003 8.121 ( -0.041 -0.153 -4.431) 4.433 8.269 ( 0.218 -0.180 1.889) 1.910 8.387 ( 0.302 0.124 2.090) 2.115 8.792 ( -0.079 -0.013 -9.153) 9.153 9.097 ( -0.318 -0.118 5.042) 5.053 9.195 ( 0.246 -0.018 4.065) 4.072 9.220 ( -0.585 -0.180 1.324) 1.459 9.295 ( -1.864 0.307 -1.029) 2.151 9.307 ( 0.223 0.001 -1.817) 1.831 10.016 ( -0.077 0.014 -3.945) 3.946 ======================= Grid point 227 (72/171) ======================= q-point: (-0.50 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 9.381 -3.581 6.683) 12.062 2.108 ( 3.050 0.957 1.529) 3.544 2.243 ( 1.123 0.758 0.239) 1.376 2.361 ( 12.245 -0.930 -0.230) 12.283 2.671 ( -4.061 -0.797 9.706) 10.551 2.733 ( -2.576 -1.815 24.655) 24.855 2.773 ( -0.108 -1.675 0.681) 1.811 2.955 ( -1.398 -0.623 -1.084) 1.876 3.136 ( 3.366 0.391 2.743) 4.360 3.213 ( -9.594 -1.258 -4.768) 10.787 3.374 ( -0.940 -0.906 2.328) 2.669 3.691 ( -0.665 1.941 0.950) 2.261 3.780 ( 2.217 3.269 -0.886) 4.048 4.036 ( -0.719 2.158 1.212) 2.578 4.289 ( -3.512 0.300 -1.940) 4.024 5.032 ( -6.379 0.213 3.396) 7.230 5.175 ( -2.959 1.224 -7.368) 8.034 5.398 ( -6.393 -0.958 -12.528) 14.097 6.606 ( 6.430 -1.003 -0.681) 6.543 6.721 ( -0.754 -0.105 0.969) 1.232 7.045 ( 2.285 0.247 0.590) 2.373 7.252 ( 0.669 0.105 -5.923) 5.962 7.514 ( -2.826 -0.359 18.408) 18.627 7.565 ( -0.828 0.041 8.710) 8.749 7.882 ( -0.859 -0.225 3.629) 3.736 8.051 ( -3.140 0.452 -2.714) 4.175 8.071 ( -5.169 0.228 -2.358) 5.686 8.251 ( -0.304 0.245 0.239) 0.457 8.401 ( 1.121 0.593 2.326) 2.649 8.789 ( -0.597 -0.338 -8.648) 8.676 9.079 ( -1.459 -0.360 4.314) 4.568 9.190 ( -0.226 -0.163 3.249) 3.261 9.215 ( -0.226 -1.045 1.806) 2.099 9.259 ( -2.907 -0.772 -0.737) 3.097 9.312 ( 0.265 -1.745 -1.262) 2.169 9.997 ( -1.793 -0.132 -3.913) 4.306 ======================= Grid point 228 (73/171) ======================= q-point: (-0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -1.844 -5.662 3.228) 6.774 2.137 ( -0.058 -0.177 3.750) 3.754 2.251 ( -0.237 -0.661 0.958) 1.188 2.532 ( -9.382 -1.371 16.602) 19.119 2.627 ( 4.710 -0.203 11.198) 12.150 2.752 ( 8.298 -2.184 1.818) 8.771 2.803 ( 0.634 -4.094 -0.699) 4.202 2.987 ( 5.535 2.198 -2.434) 6.433 3.024 ( -8.988 -1.729 -4.341) 10.130 3.205 ( 3.930 0.176 1.450) 4.193 3.330 ( -3.823 -1.007 8.052) 8.970 3.660 ( -0.769 3.741 1.709) 4.184 3.788 ( 0.377 3.358 -0.739) 3.459 3.978 ( -4.388 2.581 0.421) 5.108 4.179 ( -6.831 2.263 -1.592) 7.370 4.833 ( -14.489 -0.130 1.578) 14.575 5.055 ( -10.635 1.484 -2.312) 10.984 5.244 ( -8.352 -0.696 -15.426) 17.555 6.683 ( -3.451 0.245 6.895) 7.714 6.784 ( 10.731 -0.863 -1.257) 10.839 7.107 ( 3.933 0.054 -0.126) 3.936 7.282 ( 2.757 0.035 -4.932) 5.651 7.467 ( -1.379 -0.064 8.892) 8.999 7.546 ( -1.824 -0.102 5.242) 5.552 7.826 ( -15.641 0.078 1.227) 15.689 7.858 ( -2.661 -0.600 2.181) 3.493 8.040 ( 0.456 1.191 2.074) 2.435 8.280 ( 3.101 0.818 -2.287) 3.939 8.418 ( 0.775 0.505 2.561) 2.723 8.754 ( -3.939 -1.005 -6.226) 7.436 9.058 ( -0.361 0.023 1.561) 1.602 9.173 ( -5.348 -0.895 -1.042) 5.521 9.197 ( 0.052 -1.928 1.392) 2.378 9.244 ( 2.423 -0.480 4.307) 4.965 9.324 ( -0.759 -3.699 -0.515) 3.811 9.956 ( -2.304 -0.228 -3.592) 4.273 ======================= Grid point 229 (74/171) ======================= q-point: (-0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -13.477 -4.995 3.517) 14.797 2.066 ( -7.309 2.374 7.820) 10.964 2.248 ( -0.541 -3.407 1.485) 3.756 2.325 ( -11.352 -1.048 13.361) 17.563 2.619 ( -3.456 -1.611 7.748) 8.636 2.782 ( -4.301 -4.927 -3.749) 7.539 2.794 ( -7.130 -4.335 -4.964) 9.709 3.059 ( 9.207 2.220 1.854) 9.651 3.094 ( 4.325 3.391 -0.251) 5.502 3.250 ( -3.847 -0.708 12.176) 12.789 3.296 ( 4.974 0.156 -0.829) 5.044 3.632 ( -0.480 2.429 3.059) 3.935 3.759 ( -2.732 1.059 0.084) 2.931 3.843 ( -7.404 3.262 0.468) 8.104 4.023 ( -7.583 2.328 -1.957) 8.170 4.467 ( -23.892 -1.100 1.203) 23.948 4.718 ( -22.411 2.783 -0.900) 22.601 5.123 ( -4.607 0.143 -16.955) 17.571 6.584 ( -6.610 0.359 9.249) 11.374 6.979 ( 6.880 0.004 -3.726) 7.824 7.172 ( 1.991 -0.052 -0.260) 2.008 7.279 ( -24.548 0.253 -1.996) 24.631 7.365 ( 2.985 0.063 -0.146) 2.989 7.489 ( 4.211 0.968 0.091) 4.322 7.673 ( 2.789 -0.605 5.962) 6.610 7.806 ( -3.175 -0.963 1.269) 3.552 8.086 ( 5.086 1.423 4.844) 7.166 8.339 ( 2.773 1.835 -2.744) 4.311 8.424 ( 0.164 -0.425 1.607) 1.670 8.641 ( -8.052 -0.880 -3.059) 8.658 9.035 ( -5.415 -2.886 -0.999) 6.217 9.098 ( -0.233 -0.289 -0.109) 0.387 9.207 ( 0.053 -2.127 0.566) 2.202 9.315 ( 1.680 -2.149 -0.542) 2.782 9.335 ( 3.504 -1.071 5.701) 6.777 9.926 ( -0.523 -0.173 -2.881) 2.933 ======================= Grid point 230 (75/171) ======================= q-point: (-0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -20.601 -0.382 5.322) 21.281 1.822 ( -15.695 3.557 17.155) 23.522 2.120 ( -10.417 0.059 1.903) 10.590 2.277 ( 0.507 -6.322 -0.589) 6.369 2.527 ( -7.885 -0.234 10.367) 13.027 2.626 ( -8.560 -1.740 -2.433) 9.067 2.744 ( -4.501 -1.410 -3.636) 5.956 3.084 ( -2.119 -1.610 8.016) 8.446 3.137 ( -4.663 -1.597 8.654) 9.959 3.206 ( 2.944 4.409 -0.648) 5.341 3.402 ( 5.457 0.901 -2.759) 6.181 3.587 ( -7.924 -2.266 4.217) 9.258 3.636 ( -6.593 0.564 0.687) 6.653 3.704 ( -6.711 2.577 0.768) 7.229 3.872 ( -13.357 -1.729 -2.127) 13.635 3.955 ( -24.250 -1.506 1.781) 24.362 4.225 ( -23.063 4.495 -1.182) 23.526 5.065 ( -0.798 2.057 -19.445) 19.570 6.432 ( -9.178 0.098 3.181) 9.714 6.530 ( -43.322 0.035 0.822) 43.330 7.141 ( 2.184 0.886 -1.835) 2.987 7.161 ( -3.129 0.262 -1.546) 3.500 7.457 ( 5.002 0.012 0.862) 5.076 7.609 ( 8.228 1.714 -3.494) 9.102 7.744 ( -1.275 -1.833 2.080) 3.052 7.818 ( 7.975 -0.965 0.919) 8.086 8.204 ( 7.028 1.598 4.703) 8.606 8.332 ( -2.512 0.769 -0.125) 2.631 8.441 ( 0.833 -0.387 -1.517) 1.773 8.472 ( -8.898 0.066 -1.151) 8.972 8.923 ( -8.134 -8.432 1.434) 11.804 9.114 ( 0.415 -1.259 -1.016) 1.671 9.230 ( 2.236 1.020 -0.022) 2.458 9.354 ( 3.470 0.003 -0.612) 3.523 9.459 ( 7.638 0.283 7.177) 10.485 9.948 ( 2.778 0.117 -1.756) 3.289 ======================= Grid point 231 (76/171) ======================= q-point: (-0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -21.846 6.094 7.453) 23.873 1.468 ( -18.079 4.548 23.771) 30.209 1.912 ( -10.626 1.490 -6.833) 12.721 2.211 ( -22.639 2.507 17.247) 28.571 2.312 ( -3.308 -4.675 -3.677) 6.806 2.526 ( -3.638 0.465 3.703) 5.212 2.631 ( -5.987 0.907 -0.643) 6.089 2.949 ( -13.935 -0.718 9.944) 17.134 3.102 ( -1.923 -5.716 3.214) 6.834 3.194 ( -8.757 -1.402 0.569) 8.887 3.273 ( -25.846 -2.203 -0.175) 25.941 3.362 ( -12.760 0.369 3.304) 13.186 3.460 ( -8.110 -1.135 0.775) 8.225 3.507 ( -1.234 -0.304 -3.064) 3.317 3.562 ( -7.273 -0.745 1.239) 7.415 3.780 ( -1.056 1.037 1.865) 2.381 4.019 ( 0.154 1.638 -1.789) 2.431 5.029 ( -6.337 3.139 -23.002) 24.064 5.637 ( -42.682 0.383 6.752) 43.215 6.207 ( -16.527 -0.674 -13.642) 21.440 7.038 ( -8.211 -0.258 -2.928) 8.721 7.116 ( -4.847 0.593 -2.907) 5.683 7.550 ( 4.417 -0.032 2.049) 4.869 7.725 ( 0.890 -0.316 0.479) 1.059 7.769 ( 6.520 -0.385 -0.959) 6.602 7.991 ( 7.377 -1.974 -0.491) 7.652 8.237 ( -5.576 0.443 1.493) 5.789 8.266 ( -3.266 -0.702 0.120) 3.342 8.385 ( 1.476 -0.127 0.665) 1.624 8.451 ( 0.543 -1.572 -0.140) 1.669 8.826 ( -7.049 -12.045 4.995) 14.823 9.125 ( 0.140 -1.830 -0.289) 1.858 9.278 ( 3.974 4.766 -0.276) 6.211 9.455 ( 7.677 3.211 -0.803) 8.360 9.616 ( 8.736 -0.018 9.235) 12.713 10.022 ( 4.772 0.720 -0.446) 4.847 ======================= Grid point 232 (77/171) ======================= q-point: (-0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -16.175 14.681 9.751) 23.922 1.086 ( -20.163 6.813 24.885) 32.745 1.589 ( -28.751 6.628 26.280) 39.512 1.757 ( -9.572 1.392 -3.038) 10.138 2.136 ( -16.454 0.064 -7.903) 18.253 2.462 ( -6.692 -2.588 3.347) 7.917 2.521 ( -3.791 0.856 7.263) 8.238 2.568 ( -18.133 0.485 -1.995) 18.249 2.835 ( -10.964 -7.995 -2.588) 13.814 3.074 ( -4.218 -1.671 8.718) 9.828 3.138 ( -2.638 -2.638 -0.472) 3.760 3.289 ( 5.329 -0.421 13.296) 14.331 3.336 ( -0.610 1.322 6.317) 6.482 3.494 ( -1.268 -4.634 0.446) 4.825 3.558 ( 2.697 0.573 -6.292) 6.870 3.805 ( 2.410 0.247 1.990) 3.135 4.055 ( 2.649 -0.232 -2.074) 3.372 4.469 ( -38.321 1.054 -2.084) 38.392 5.305 ( 0.033 2.445 -13.105) 13.331 5.632 ( -51.104 -2.586 -38.932) 64.296 6.909 ( -4.040 -0.573 -0.586) 4.122 6.986 ( -7.090 -0.250 -1.956) 7.360 7.618 ( 2.426 -0.430 2.807) 3.735 7.738 ( 0.479 -0.240 2.073) 2.142 7.883 ( 4.236 -1.698 1.278) 4.739 8.066 ( -0.238 -0.761 0.161) 0.814 8.117 ( -5.086 0.350 0.722) 5.149 8.267 ( 1.592 -5.062 0.979) 5.396 8.388 ( -2.534 -8.647 -0.019) 9.010 8.496 ( 2.453 1.905 -1.072) 3.286 8.790 ( -2.935 -13.516 10.699) 17.486 9.142 ( 0.558 -1.759 0.847) 2.030 9.319 ( 2.890 6.430 0.037) 7.050 9.595 ( 7.572 3.969 -3.330) 9.174 9.821 ( 13.306 -3.046 12.907) 18.787 10.109 ( 4.767 1.854 1.055) 5.222 ======================= Grid point 233 (78/171) ======================= q-point: (-0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -0.000 22.322 11.817) 25.257 0.678 ( -0.000 8.527 27.268) 28.570 1.251 ( -0.000 4.246 50.840) 51.017 1.668 ( -0.000 1.319 -11.924) 11.996 1.912 ( -0.000 0.533 -8.478) 8.495 2.308 ( 0.000 -0.916 1.718) 1.947 2.415 ( -0.000 1.259 -0.979) 1.595 2.514 ( 0.000 -0.627 10.542) 10.561 2.801 ( 0.000 -7.007 -4.730) 8.454 3.000 ( -0.000 0.153 1.423) 1.431 3.123 ( 0.000 -1.375 -1.475) 2.017 3.301 ( -0.000 2.786 4.935) 5.668 3.500 ( 0.000 -5.815 0.124) 5.816 3.591 ( -0.000 0.070 -7.006) 7.007 3.804 ( 0.000 -8.710 5.209) 10.148 3.936 ( 0.000 -11.265 9.032) 14.438 4.034 ( -0.000 0.853 2.750) 2.879 4.122 ( -0.000 0.122 0.577) 0.589 4.288 ( -0.000 14.789 -5.009) 15.614 5.318 ( -0.000 2.383 -17.307) 17.470 6.881 ( 0.000 -0.200 -0.312) 0.371 6.909 ( 0.000 -0.448 -0.940) 1.041 7.645 ( 0.000 -0.525 3.097) 3.142 7.741 ( -0.000 0.338 1.978) 2.006 7.943 ( 0.000 -1.665 3.413) 3.797 8.053 ( -0.000 0.196 0.008) 0.196 8.059 ( -0.000 0.195 -0.104) 0.221 8.324 ( 0.000 -7.107 1.023) 7.180 8.410 ( 0.000 -9.028 -0.892) 9.072 8.505 ( -0.000 2.415 -2.958) 3.818 8.846 ( 0.000 -16.417 11.649) 20.130 9.157 ( 0.000 -1.256 1.096) 1.667 9.315 ( -0.000 6.539 0.780) 6.585 9.656 ( -0.000 2.699 -4.058) 4.873 10.061 ( 0.000 -10.096 2.882) 10.499 10.198 ( 0.000 -0.215 1.011) 1.034 ======================= Grid point 236 (79/171) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 8.809 0.000 7.311) 11.448 2.026 ( 16.851 0.000 4.485) 17.438 2.320 ( -3.210 -0.000 -1.918) 3.739 2.333 ( 11.547 0.000 16.739) 20.335 2.646 ( 4.902 0.000 7.134) 8.656 2.844 ( 3.709 0.000 -3.208) 4.904 2.861 ( 8.095 0.000 -4.577) 9.300 3.020 ( -7.536 -0.000 0.707) 7.569 3.053 ( -5.709 -0.000 -1.716) 5.961 3.268 ( 6.069 0.000 12.147) 13.578 3.307 ( -4.848 -0.000 0.886) 4.928 3.589 ( -0.539 -0.000 3.122) 3.168 3.703 ( -2.640 -0.000 0.199) 2.647 3.861 ( 9.832 0.000 1.822) 9.999 3.920 ( 4.154 0.000 -2.563) 4.881 4.487 ( 22.944 0.000 -0.020) 22.944 4.669 ( 23.795 0.000 -0.328) 23.798 5.121 ( 6.263 0.000 -16.942) 18.062 6.577 ( 6.517 0.000 9.264) 11.327 6.980 ( -6.486 -0.000 -3.627) 7.431 7.172 ( -1.905 -0.000 -0.450) 1.958 7.275 ( 25.576 0.000 -1.992) 25.653 7.364 ( -3.296 -0.000 -0.521) 3.337 7.471 ( -3.006 -0.000 0.429) 3.036 7.686 ( -3.942 -0.000 6.308) 7.438 7.821 ( 2.949 0.000 1.582) 3.346 8.063 ( -4.648 -0.000 3.828) 6.021 8.306 ( -2.342 -0.000 -2.679) 3.558 8.432 ( -0.734 -0.000 1.219) 1.423 8.653 ( 8.451 0.000 -3.383) 9.103 9.076 ( -1.829 -0.000 -1.378) 2.290 9.104 ( 3.491 0.000 -1.133) 3.670 9.253 ( 1.204 0.000 1.853) 2.210 9.321 ( -5.844 -0.000 5.034) 7.713 9.389 ( 2.279 0.000 -0.113) 2.281 9.929 ( 0.687 0.000 -2.766) 2.850 ======================= Grid point 237 (80/171) ======================= q-point: ( 0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 1.507 0.149 2.005) 2.513 2.183 ( -1.445 0.888 1.071) 2.006 2.285 ( -0.562 0.769 2.495) 2.671 2.548 ( 9.443 -0.125 27.730) 29.294 2.622 ( -10.813 -0.018 -2.140) 11.022 2.807 ( -2.011 0.651 8.289) 8.554 2.842 ( -4.395 -0.600 -1.109) 4.572 2.978 ( -0.288 0.655 -3.014) 3.098 3.098 ( 9.028 1.113 -6.385) 11.114 3.217 ( -4.349 0.420 3.298) 5.475 3.367 ( 4.316 0.684 7.120) 8.354 3.594 ( 0.807 0.864 1.176) 1.668 3.631 ( -2.675 -4.032 0.209) 4.843 3.999 ( 5.594 2.712 0.996) 6.296 4.057 ( 6.976 -3.719 -1.986) 8.151 4.836 ( 13.513 0.049 -0.676) 13.530 5.040 ( 14.749 0.001 -0.494) 14.757 5.253 ( 6.703 0.022 -15.499) 16.886 6.677 ( 3.830 -0.066 7.283) 8.229 6.800 ( -10.136 0.137 -1.469) 10.243 7.106 ( -4.207 -0.009 -0.375) 4.224 7.282 ( -2.775 0.005 -5.124) 5.827 7.469 ( 2.181 0.025 8.789) 9.056 7.549 ( 1.621 0.050 5.558) 5.790 7.825 ( 16.201 -0.007 1.473) 16.268 7.864 ( 1.284 -0.010 3.375) 3.611 8.022 ( 0.450 -0.082 0.830) 0.948 8.257 ( -2.401 -0.283 -2.540) 3.507 8.412 ( -1.250 -0.011 2.810) 3.076 8.770 ( 3.403 0.122 -6.860) 7.659 9.059 ( 0.568 0.021 2.353) 2.420 9.189 ( 4.844 0.155 -1.510) 5.076 9.229 ( -3.457 0.155 4.655) 5.801 9.264 ( -0.111 0.343 1.273) 1.323 9.409 ( -0.318 0.883 -0.915) 1.310 9.961 ( 2.280 0.057 -3.313) 4.022 ======================= Grid point 238 (81/171) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -12.878 1.766 2.644) 13.265 2.092 ( -4.250 -0.307 0.506) 4.291 2.226 ( -3.306 -0.085 2.326) 4.043 2.380 ( -8.834 0.236 1.073) 8.902 2.693 ( 4.462 0.299 20.475) 20.957 2.777 ( -1.764 0.200 0.361) 1.811 2.802 ( 0.301 1.099 15.679) 15.720 2.992 ( 1.148 0.797 -0.353) 1.441 3.132 ( -4.130 0.113 3.437) 5.374 3.247 ( 6.637 0.607 -5.792) 8.830 3.409 ( 0.047 1.012 2.339) 2.549 3.629 ( 2.322 -2.684 0.271) 3.560 3.663 ( 3.687 -1.351 -0.438) 3.951 4.056 ( 2.059 2.511 1.577) 3.610 4.194 ( 4.900 -4.024 -2.561) 6.838 5.020 ( 5.995 -0.146 0.194) 6.000 5.233 ( 6.008 2.895 -2.527) 7.132 5.366 ( 4.387 -2.108 -14.531) 15.325 6.625 ( -7.180 0.235 -0.917) 7.242 6.723 ( 1.015 0.027 1.452) 1.772 7.039 ( -2.330 -0.109 0.581) 2.404 7.251 ( -0.586 0.038 -5.990) 6.019 7.523 ( 2.673 0.150 17.946) 18.145 7.566 ( 0.784 0.038 8.867) 8.902 7.878 ( 0.442 -0.235 4.859) 4.885 8.053 ( 2.257 0.316 -2.957) 3.733 8.066 ( 6.952 -0.145 -2.744) 7.475 8.237 ( 0.742 -0.389 -0.044) 0.838 8.392 ( -0.759 -0.074 2.748) 2.852 8.795 ( 0.003 0.065 -8.795) 8.795 9.087 ( 1.493 0.115 4.588) 4.826 9.188 ( -0.684 -0.069 4.045) 4.103 9.247 ( -1.274 0.530 0.774) 1.582 9.271 ( 3.252 0.118 -1.693) 3.668 9.369 ( -2.999 1.107 -0.574) 3.248 10.001 ( 1.628 0.076 -3.704) 4.047 ======================= Grid point 239 (82/171) ======================= q-point: ( 0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -3.712 0.618 6.273) 7.314 2.052 ( 2.973 1.410 0.135) 3.293 2.189 ( -0.832 -2.207 1.349) 2.717 2.295 ( -1.238 0.971 0.537) 1.663 2.722 ( -1.079 0.265 3.235) 3.421 2.743 ( -1.367 0.511 8.728) 8.849 2.795 ( -1.641 -0.715 25.217) 25.280 2.986 ( -2.025 -0.181 0.904) 2.225 3.093 ( 0.866 -0.004 2.291) 2.449 3.340 ( 1.511 -0.728 -1.620) 2.332 3.355 ( -4.088 0.055 -3.152) 5.162 3.687 ( 2.423 -0.441 0.670) 2.553 3.748 ( 4.007 0.487 -0.691) 4.095 4.070 ( 1.142 3.004 2.042) 3.807 4.277 ( 1.485 -3.649 -2.665) 4.756 5.081 ( 0.361 -0.455 2.529) 2.595 5.261 ( -0.130 5.054 -6.822) 8.491 5.426 ( -0.243 -3.547 -12.525) 13.020 6.543 ( -1.046 -0.228 -0.745) 1.304 6.727 ( -0.244 0.001 -1.659) 1.677 7.022 ( 0.367 -0.035 1.196) 1.251 7.248 ( 0.091 0.123 -6.206) 6.208 7.547 ( -0.449 0.008 22.169) 22.174 7.575 ( 0.031 0.043 9.348) 9.348 7.885 ( 0.047 -0.341 4.252) 4.266 8.076 ( 0.442 0.634 -3.936) 4.011 8.119 ( -0.101 -0.241 -4.413) 4.421 8.267 ( 0.384 -0.224 1.978) 2.028 8.388 ( 0.555 0.151 2.024) 2.104 8.791 ( -0.146 -0.016 -9.136) 9.137 9.095 ( -0.590 -0.146 5.046) 5.083 9.195 ( 0.586 -0.027 4.257) 4.297 9.218 ( -1.305 -0.196 0.835) 1.562 9.299 ( -3.187 0.359 -0.748) 3.293 9.307 ( 0.357 -0.000 -1.815) 1.850 10.016 ( -0.140 0.017 -3.939) 3.942 ======================= Grid point 240 (83/171) ======================= q-point: (-0.57 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 7.605 -2.664 7.702) 11.147 2.119 ( 1.517 1.128 1.809) 2.616 2.249 ( 1.862 0.410 -0.048) 1.908 2.352 ( 13.165 -0.825 -0.691) 13.209 2.665 ( -4.190 -0.231 5.985) 7.309 2.717 ( -3.550 -1.379 27.428) 27.691 2.751 ( -1.501 -2.458 1.334) 3.174 2.953 ( -0.206 0.171 -1.724) 1.744 3.140 ( 3.416 0.388 2.629) 4.328 3.201 ( -10.001 -1.050 -4.244) 10.915 3.367 ( -0.894 -0.641 2.300) 2.550 3.713 ( 0.769 2.344 1.047) 2.680 3.802 ( 1.974 1.036 -0.798) 2.368 4.067 ( -0.066 3.728 1.465) 4.006 4.281 ( -2.690 -1.825 -2.175) 3.911 5.031 ( -6.192 -0.243 4.103) 7.432 5.201 ( -3.399 3.756 -8.138) 9.586 5.380 ( -6.153 -2.533 -12.468) 14.132 6.595 ( 6.189 -0.949 -0.521) 6.283 6.720 ( -0.683 -0.097 0.802) 1.058 7.047 ( 2.310 0.202 0.569) 2.388 7.253 ( 0.647 0.136 -5.944) 5.981 7.511 ( -2.888 -0.296 18.603) 18.828 7.566 ( -0.833 0.071 8.631) 8.671 7.879 ( -0.978 -0.383 3.177) 3.346 8.057 ( -4.728 0.474 -2.901) 5.567 8.074 ( -3.236 0.368 -2.024) 3.835 8.252 ( -0.199 -0.018 0.564) 0.599 8.408 ( 1.339 0.640 2.017) 2.504 8.785 ( -0.943 -0.359 -8.502) 8.561 9.075 ( -1.325 -0.338 4.148) 4.367 9.186 ( -1.010 -0.580 1.556) 1.943 9.208 ( -0.282 -0.411 3.802) 3.835 9.251 ( -2.589 -0.901 -0.486) 2.785 9.298 ( -1.024 -1.039 -1.636) 2.192 9.996 ( -1.853 -0.095 -3.979) 4.390 ======================= Grid point 241 (84/171) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -2.167 -5.287 4.440) 7.236 2.137 ( 0.457 0.130 3.789) 3.819 2.246 ( -1.159 -0.396 0.625) 1.375 2.518 ( -9.030 -1.445 13.487) 16.295 2.621 ( 0.549 -0.961 15.161) 15.201 2.731 ( 6.112 -2.231 -0.878) 6.565 2.764 ( 4.804 -3.082 -0.415) 5.723 2.999 ( -4.972 -0.366 -2.918) 5.777 3.023 ( 3.423 1.672 -2.893) 4.783 3.208 ( 3.841 0.419 1.086) 4.013 3.321 ( -3.860 -0.735 8.224) 9.115 3.699 ( -0.404 3.869 1.483) 4.163 3.811 ( -0.567 1.106 -0.755) 1.454 4.013 ( -3.791 4.059 0.736) 5.602 4.193 ( -6.605 0.392 -1.841) 6.868 4.831 ( -14.914 -0.219 2.689) 15.156 5.074 ( -9.995 2.299 -3.056) 10.701 5.235 ( -8.202 -1.098 -15.647) 17.701 6.686 ( -3.277 0.198 6.705) 7.465 6.775 ( 11.110 -0.877 -1.119) 11.200 7.108 ( 3.785 0.064 -0.018) 3.786 7.282 ( 2.718 0.044 -4.842) 5.552 7.466 ( -0.975 -0.040 8.939) 8.992 7.545 ( -1.916 -0.042 5.083) 5.432 7.827 ( -15.456 0.094 1.132) 15.498 7.851 ( -3.070 -0.733 1.814) 3.640 8.053 ( 0.657 1.328 2.419) 2.836 8.287 ( 3.477 0.473 -1.888) 3.985 8.424 ( 0.598 0.779 2.152) 2.365 8.742 ( -4.302 -1.202 -5.774) 7.300 9.059 ( -0.336 0.086 1.038) 1.095 9.161 ( -4.734 -1.439 -0.389) 4.963 9.180 ( -1.428 -1.314 0.319) 1.966 9.239 ( 2.616 -0.340 5.010) 5.662 9.288 ( -1.183 -3.225 -0.464) 3.467 9.954 ( -2.321 -0.195 -3.709) 4.379 ======================= Grid point 242 (85/171) ======================= q-point: (-0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -11.661 -4.370 3.197) 12.857 2.093 ( -5.693 2.812 7.770) 10.034 2.215 ( -2.280 -3.104 1.174) 4.027 2.312 ( -11.338 -1.455 13.659) 17.811 2.598 ( -3.001 -2.611 7.874) 8.822 2.731 ( -2.918 -5.029 -2.931) 6.511 2.750 ( -8.570 -3.945 -5.013) 10.683 3.080 ( 8.295 1.733 2.964) 8.977 3.130 ( 3.719 3.445 -0.541) 5.098 3.247 ( -2.064 0.127 11.913) 12.092 3.298 ( 5.436 0.191 -1.573) 5.662 3.659 ( -2.089 2.965 2.460) 4.382 3.768 ( -3.455 0.915 -0.206) 3.580 3.880 ( -7.485 3.619 0.863) 8.359 4.039 ( -8.520 0.872 -2.275) 8.862 4.456 ( -24.406 -1.111 1.920) 24.506 4.747 ( -21.951 2.800 -1.216) 22.163 5.125 ( -3.684 0.210 -16.943) 17.340 6.587 ( -6.669 0.336 9.224) 11.387 6.979 ( 7.160 0.043 -3.811) 8.112 7.171 ( 2.066 -0.056 -0.142) 2.071 7.282 ( -23.978 0.288 -1.965) 24.061 7.366 ( 2.893 0.079 0.031) 2.894 7.499 ( 4.784 0.957 -0.112) 4.880 7.667 ( 2.369 -0.448 5.749) 6.234 7.795 ( -3.374 -1.112 1.151) 3.734 8.101 ( 5.217 1.515 5.406) 7.663 8.358 ( 3.403 1.932 -2.809) 4.817 8.420 ( -0.442 -0.315 1.798) 1.879 8.630 ( -7.800 -1.283 -2.724) 8.361 9.002 ( -8.527 -3.574 -0.368) 9.253 9.095 ( -0.282 -0.253 0.151) 0.408 9.187 ( 1.159 -1.620 -0.204) 2.002 9.287 ( 0.770 -2.886 -1.361) 3.282 9.331 ( 5.704 -0.193 6.535) 8.676 9.924 ( -0.453 -0.177 -2.955) 2.994 ======================= Grid point 243 (86/171) ======================= q-point: (-0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -17.015 0.739 4.374) 17.584 1.861 ( -15.161 4.131 18.478) 24.257 2.119 ( -9.867 -0.550 -1.020) 9.935 2.215 ( -0.190 -5.443 2.020) 5.809 2.516 ( -8.077 -2.143 7.943) 11.530 2.604 ( -6.100 -2.160 -0.582) 6.497 2.717 ( -2.640 -3.654 -3.165) 5.508 3.071 ( -4.511 -1.331 12.398) 13.260 3.127 ( -3.784 0.247 3.272) 5.009 3.257 ( 2.003 5.350 0.194) 5.716 3.412 ( 5.785 0.981 -2.857) 6.526 3.569 ( -7.951 -1.018 3.865) 8.899 3.642 ( -9.228 0.479 0.506) 9.254 3.723 ( -8.553 1.200 0.521) 8.652 3.854 ( -16.161 -1.729 -1.890) 16.363 3.941 ( -22.702 -1.004 2.148) 22.825 4.267 ( -22.490 3.614 -1.130) 22.806 5.087 ( 0.351 2.255 -19.132) 19.267 6.433 ( -9.438 0.085 3.176) 9.958 6.531 ( -43.237 -0.003 0.703) 43.243 7.151 ( 1.603 1.125 -1.696) 2.591 7.165 ( -2.284 0.387 -1.321) 2.667 7.457 ( 5.011 0.083 0.880) 5.088 7.626 ( 8.350 1.629 -4.016) 9.408 7.725 ( -1.743 -1.815 2.084) 3.268 7.808 ( 7.606 -1.013 0.587) 7.695 8.221 ( 7.035 1.768 5.388) 9.036 8.340 ( -3.435 0.697 0.178) 3.510 8.438 ( 0.057 -0.259 -0.687) 0.737 8.473 ( -7.802 0.221 -1.191) 7.896 8.832 ( -11.091 -9.284 3.383) 14.854 9.097 ( -0.413 -1.881 0.181) 1.934 9.243 ( 4.317 1.367 -1.401) 4.740 9.353 ( 5.369 -0.149 -1.358) 5.540 9.462 ( 7.738 0.343 6.956) 10.411 9.949 ( 2.984 0.055 -1.618) 3.395 ======================= Grid point 244 (87/171) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -16.733 8.646 6.016) 19.772 1.520 ( -16.932 5.436 24.819) 30.533 1.927 ( -9.634 1.233 -7.699) 12.394 2.214 ( -11.743 -2.993 10.086) 15.767 2.278 ( -9.954 -0.798 3.294) 10.515 2.532 ( -3.344 0.577 3.823) 5.112 2.641 ( -5.764 0.788 -1.021) 5.907 2.936 ( -14.689 -1.808 10.577) 18.191 3.048 ( -3.163 -4.456 4.723) 7.223 3.180 ( -18.504 -1.377 0.415) 18.560 3.251 ( -20.825 -1.934 -1.067) 20.941 3.357 ( -12.472 -1.412 2.091) 12.725 3.453 ( -8.274 -0.190 2.205) 8.565 3.505 ( 1.576 -0.021 -4.543) 4.808 3.553 ( -8.698 -1.279 1.882) 8.991 3.792 ( -1.050 1.387 1.717) 2.444 4.031 ( -2.190 0.625 -1.477) 2.714 5.065 ( -6.442 3.817 -22.507) 23.720 5.642 ( -41.691 0.511 6.444) 42.189 6.198 ( -17.630 -1.031 -13.855) 22.446 7.035 ( -8.767 -0.277 -2.609) 9.151 7.125 ( -5.171 1.006 -2.722) 5.929 7.550 ( 4.302 0.044 2.003) 4.745 7.707 ( -0.802 -3.220 3.887) 5.111 7.772 ( 6.667 0.871 -4.004) 7.826 7.972 ( 7.118 -1.567 -0.147) 7.290 8.242 ( -5.808 0.354 1.242) 5.950 8.260 ( -4.140 -0.602 0.317) 4.195 8.364 ( -6.034 -4.287 1.692) 7.593 8.443 ( 3.883 0.413 4.130) 5.683 8.714 ( -5.855 -9.442 6.204) 12.725 9.102 ( -0.110 -2.491 1.052) 2.707 9.324 ( 5.081 4.103 -1.322) 6.663 9.488 ( 9.051 3.168 -2.692) 9.960 9.617 ( 8.398 0.260 8.204) 11.743 10.029 ( 5.133 0.592 0.016) 5.167 ======================= Grid point 245 (88/171) ======================= q-point: (-0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -9.977 18.320 7.445) 22.149 1.167 ( -16.907 8.825 25.643) 31.958 1.670 ( -27.537 8.782 22.506) 36.632 1.773 ( -9.220 1.851 -3.249) 9.950 2.136 ( -14.650 -0.106 -6.261) 15.932 2.437 ( -7.608 -2.273 3.065) 8.512 2.527 ( -5.850 0.365 5.759) 8.217 2.571 ( -15.302 0.161 -2.027) 15.437 2.747 ( -12.499 -8.806 1.449) 15.358 3.049 ( -1.155 -3.284 9.322) 9.951 3.110 ( -4.018 -2.542 -0.302) 4.764 3.266 ( 2.998 -3.633 13.451) 14.252 3.357 ( -1.707 1.928 1.204) 2.843 3.440 ( -2.741 -5.420 1.905) 6.365 3.565 ( 2.493 0.720 -6.328) 6.839 3.811 ( 2.684 0.848 2.076) 3.498 4.047 ( 2.105 -1.349 -1.549) 2.941 4.482 ( -38.531 1.487 -1.761) 38.600 5.335 ( -0.605 3.422 -13.991) 14.416 5.598 ( -51.130 -4.102 -35.627) 62.453 6.901 ( -3.903 -0.932 0.104) 4.014 6.984 ( -7.600 -0.158 -1.765) 7.804 7.610 ( 1.508 -1.488 3.597) 4.174 7.725 ( 0.589 -3.258 5.382) 6.319 7.850 ( 0.692 -4.441 4.811) 6.584 8.055 ( 0.857 -1.257 1.604) 2.211 8.121 ( -5.076 0.475 0.603) 5.134 8.200 ( -5.456 -7.375 8.565) 12.550 8.294 ( -1.660 -8.110 -0.953) 8.333 8.518 ( 2.816 2.241 -0.151) 3.602 8.688 ( -1.282 -6.552 9.946) 11.979 9.119 ( 0.432 -2.545 2.077) 3.313 9.381 ( 3.161 5.666 -0.563) 6.512 9.639 ( 7.332 4.371 -4.485) 9.643 9.793 ( 9.992 -2.177 8.905) 13.560 10.125 ( 5.085 1.208 1.692) 5.494 ======================= Grid point 246 (89/171) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -0.000 25.801 6.889) 26.705 0.793 ( -0.000 13.441 22.725) 26.403 1.313 ( -0.000 7.709 48.906) 49.510 1.688 ( -0.000 2.489 -11.726) 11.987 1.920 ( -0.000 0.975 -7.858) 7.918 2.296 ( 0.000 -1.349 2.070) 2.471 2.432 ( -0.000 2.007 -1.319) 2.401 2.501 ( 0.000 -2.197 8.049) 8.343 2.714 ( 0.000 -9.243 1.006) 9.298 3.002 ( -0.000 0.222 1.082) 1.105 3.102 ( 0.000 -2.596 -1.271) 2.891 3.330 ( -0.000 1.951 0.948) 2.169 3.425 ( 0.000 -7.835 1.565) 7.990 3.589 ( 0.000 -1.552 -4.526) 4.785 3.643 ( 0.000 -17.362 16.486) 23.943 3.901 ( -0.000 0.215 3.860) 3.866 4.046 ( -0.000 1.543 2.585) 3.011 4.124 ( -0.000 0.241 0.667) 0.709 4.410 ( -0.000 9.256 -8.751) 12.737 5.352 ( -0.000 4.206 -17.177) 17.685 6.878 ( 0.000 -0.364 -0.351) 0.506 6.903 ( 0.000 -0.808 -0.902) 1.211 7.633 ( 0.000 -2.241 4.445) 4.978 7.742 ( 0.000 -0.573 2.928) 2.984 7.893 ( 0.000 -9.873 14.035) 17.160 8.056 ( -0.000 0.358 0.009) 0.358 8.062 ( -0.000 0.342 -0.102) 0.357 8.187 ( 0.000 -15.498 17.093) 23.073 8.330 ( 0.000 -5.934 -4.452) 7.419 8.529 ( -0.000 2.159 -2.650) 3.418 8.716 ( 0.000 -7.931 13.297) 15.483 9.137 ( 0.000 -2.382 2.331) 3.333 9.382 ( -0.000 6.293 -0.218) 6.297 9.690 ( -0.000 3.863 -3.966) 5.537 9.959 ( 0.000 -8.605 4.465) 9.694 10.196 ( 0.000 -0.319 2.034) 2.059 ======================= Grid point 251 (90/171) ======================= q-point: ( 0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -13.147 -0.000 2.249) 13.338 2.090 ( -4.054 -0.000 0.300) 4.065 2.226 ( -3.778 -0.000 2.642) 4.610 2.382 ( -8.519 -0.000 1.195) 8.603 2.695 ( 4.522 0.000 21.179) 21.656 2.778 ( -1.530 -0.000 -0.682) 1.675 2.808 ( -0.071 -0.000 16.234) 16.234 2.996 ( 0.915 0.000 -0.428) 1.010 3.132 ( -4.363 -0.000 3.564) 5.633 3.250 ( 6.184 0.000 -5.858) 8.518 3.415 ( -0.385 -0.000 2.326) 2.357 3.614 ( 2.651 0.000 0.391) 2.680 3.657 ( 4.684 0.000 -0.565) 4.718 4.073 ( 1.926 0.000 2.299) 2.999 4.169 ( 5.210 0.000 -3.308) 6.171 5.019 ( 5.942 0.000 0.037) 5.942 5.250 ( 7.197 0.000 -1.020) 7.269 5.353 ( 3.349 0.000 -15.932) 16.281 6.627 ( -7.252 -0.000 -0.923) 7.311 6.724 ( 1.042 0.000 1.496) 1.823 7.038 ( -2.341 -0.000 0.574) 2.410 7.252 ( -0.570 -0.000 -6.005) 6.032 7.524 ( 2.661 0.000 17.911) 18.107 7.566 ( 0.778 0.000 8.878) 8.912 7.877 ( 0.406 0.000 4.948) 4.964 8.055 ( 2.042 0.000 -2.968) 3.603 8.065 ( 7.236 0.000 -2.784) 7.753 8.234 ( 0.784 0.000 -0.028) 0.785 8.391 ( -0.736 -0.000 2.757) 2.854 8.795 ( -0.031 -0.000 -8.796) 8.796 9.087 ( 1.479 0.000 4.608) 4.840 9.188 ( -0.756 -0.000 4.040) 4.110 9.250 ( -1.356 -0.000 0.746) 1.548 9.272 ( 3.193 0.000 -1.728) 3.631 9.375 ( -3.194 -0.000 -0.554) 3.242 10.002 ( 1.613 0.000 -3.684) 4.022 ======================= Grid point 252 (91/171) ======================= q-point: ( 0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -4.597 0.276 5.984) 7.551 2.064 ( 4.535 0.774 -0.466) 4.624 2.172 ( -2.090 -1.044 2.112) 3.150 2.302 ( -1.322 0.347 0.543) 1.471 2.724 ( -1.133 0.069 6.586) 6.683 2.749 ( -1.773 0.460 1.294) 2.242 2.788 ( -2.417 -0.506 29.464) 29.567 2.985 ( -2.365 -0.078 0.643) 2.453 3.093 ( 1.082 -0.001 2.271) 2.516 3.334 ( 0.718 -0.337 -1.278) 1.504 3.355 ( -3.835 0.014 -3.235) 5.017 3.686 ( 3.818 0.047 0.732) 3.888 3.750 ( 4.054 -0.022 -0.679) 4.110 4.098 ( 1.524 1.917 2.724) 3.664 4.244 ( 1.833 -2.174 -3.443) 4.465 5.078 ( 0.314 -0.156 2.170) 2.198 5.312 ( 0.444 4.373 -4.154) 6.048 5.386 ( -0.754 -3.764 -14.903) 15.389 6.541 ( -1.308 -0.101 -0.707) 1.490 6.727 ( -0.304 0.000 -1.656) 1.683 7.022 ( 0.458 -0.015 1.197) 1.282 7.249 ( 0.114 0.055 -6.244) 6.245 7.547 ( -0.562 0.003 22.203) 22.210 7.575 ( 0.040 0.020 9.317) 9.317 7.883 ( 0.058 -0.147 4.196) 4.199 8.081 ( 0.601 0.309 -3.924) 3.982 8.117 ( -0.175 -0.138 -4.395) 4.401 8.265 ( 0.469 -0.100 2.049) 2.104 8.390 ( 0.701 0.066 1.973) 2.095 8.791 ( -0.186 -0.007 -9.122) 9.124 9.094 ( -0.752 -0.065 5.049) 5.105 9.195 ( 0.876 -0.014 4.410) 4.496 9.216 ( -1.859 -0.079 0.482) 1.922 9.302 ( -3.791 0.155 -0.559) 3.835 9.307 ( 0.367 -0.002 -1.814) 1.851 10.016 ( -0.174 0.008 -3.935) 3.939 ======================= Grid point 253 (92/171) ======================= q-point: (-0.64 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 6.251 -1.379 8.295) 10.478 2.129 ( -0.213 0.814 2.091) 2.254 2.252 ( 3.416 0.068 -0.239) 3.425 2.345 ( 13.409 -0.466 -0.994) 13.454 2.666 ( -4.364 0.322 3.148) 5.390 2.706 ( -4.223 -0.624 28.796) 29.111 2.726 ( -2.418 -2.185 2.600) 4.169 2.956 ( 0.746 0.324 -2.225) 2.369 3.143 ( 3.500 0.246 2.547) 4.336 3.192 ( -10.152 -0.619 -3.788) 10.854 3.362 ( -0.857 -0.334 2.283) 2.461 3.736 ( 1.821 2.076 0.890) 2.901 3.804 ( 1.556 -0.451 -0.462) 1.685 4.106 ( 0.288 3.586 2.054) 4.142 4.257 ( -1.967 -2.560 -2.799) 4.273 5.028 ( -6.032 -0.262 4.150) 7.326 5.246 ( -4.194 4.848 -7.664) 9.992 5.347 ( -5.598 -3.828 -13.039) 14.697 6.587 ( 6.030 -0.584 -0.387) 6.070 6.719 ( -0.640 -0.058 0.689) 0.942 7.049 ( 2.342 0.114 0.548) 2.408 7.254 ( 0.614 0.094 -5.973) 6.005 7.508 ( -2.933 -0.168 18.749) 18.978 7.566 ( -0.835 0.054 8.567) 8.608 7.875 ( -1.041 -0.281 2.895) 3.089 8.060 ( -6.421 0.222 -3.151) 7.156 8.078 ( -1.299 0.357 -1.743) 2.203 8.252 ( -0.156 -0.102 0.866) 0.886 8.413 ( 1.535 0.424 1.758) 2.372 8.782 ( -1.246 -0.242 -8.356) 8.452 9.072 ( -1.180 -0.212 3.979) 4.155 9.180 ( -1.763 -0.459 0.509) 1.891 9.205 ( 0.005 -0.118 5.218) 5.219 9.243 ( -2.598 -0.562 -0.544) 2.713 9.290 ( -1.837 -0.457 -1.801) 2.613 9.995 ( -1.895 -0.049 -4.022) 4.446 ======================= Grid point 254 (93/171) ======================= q-point: (-0.57 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -2.354 -3.668 5.287) 6.852 2.138 ( 0.946 0.175 3.954) 4.069 2.243 ( -1.950 -0.224 0.346) 1.993 2.505 ( -9.001 -1.067 11.625) 14.741 2.610 ( -2.060 -1.000 16.629) 16.786 2.704 ( -0.478 -2.733 -1.365) 3.092 2.747 ( 12.421 -0.662 -0.696) 12.458 2.993 ( -7.654 -0.500 -2.319) 8.014 3.042 ( 7.564 1.630 -2.853) 8.247 3.213 ( 3.789 0.400 0.839) 3.902 3.315 ( -3.882 -0.469 8.390) 9.256 3.737 ( -0.108 3.600 1.058) 3.754 3.813 ( -0.949 -0.564 -0.513) 1.217 4.055 ( -3.897 3.957 1.226) 5.688 4.189 ( -6.068 -1.035 -2.251) 6.554 4.829 ( -15.160 -0.241 3.508) 15.562 5.099 ( -10.577 2.452 -3.118) 11.296 5.223 ( -7.245 -1.332 -16.338) 17.922 6.687 ( -3.135 0.124 6.545) 7.258 6.767 ( 11.471 -0.662 -0.989) 11.532 7.108 ( 3.652 0.055 0.068) 3.653 7.283 ( 2.676 0.034 -4.765) 5.465 7.466 ( -0.630 -0.018 8.977) 8.999 7.545 ( -1.990 0.000 4.945) 5.330 7.828 ( -15.408 0.105 1.062) 15.445 7.844 ( -3.248 -0.623 1.597) 3.673 8.065 ( 0.727 1.046 2.595) 2.891 8.290 ( 3.789 0.157 -1.419) 4.049 8.433 ( 0.529 0.774 1.659) 1.906 8.730 ( -4.689 -1.055 -5.301) 7.155 9.060 ( -0.448 0.095 0.451) 0.643 9.146 ( -3.235 -1.323 0.090) 3.496 9.170 ( -3.305 -0.628 -0.101) 3.366 9.237 ( 2.581 -0.194 5.413) 6.000 9.260 ( -1.495 -2.210 -0.563) 2.728 9.952 ( -2.337 -0.129 -3.799) 4.462 ======================= Grid point 255 (94/171) ======================= q-point: (-0.50 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -9.744 -3.123 2.869) 10.627 2.122 ( -3.753 2.867 7.545) 8.901 2.187 ( -3.805 -2.319 0.865) 4.539 2.296 ( -11.459 -1.692 14.135) 18.275 2.567 ( -3.474 -3.229 7.214) 8.634 2.684 ( -2.290 -4.035 -2.543) 5.291 2.718 ( -9.241 -2.236 -3.900) 10.277 3.093 ( 6.452 0.953 4.512) 7.930 3.161 ( 3.385 2.612 -0.811) 4.352 3.251 ( 0.384 0.667 11.022) 11.049 3.299 ( 5.684 0.110 -2.108) 6.063 3.690 ( -3.449 2.987 1.722) 4.877 3.777 ( -2.673 0.746 -0.261) 2.788 3.913 ( -8.791 2.800 1.192) 9.302 4.042 ( -9.089 -0.179 -2.602) 9.455 4.445 ( -24.834 -0.904 2.572) 24.984 4.773 ( -21.700 2.247 -1.485) 21.867 5.127 ( -2.901 0.213 -16.919) 17.167 6.590 ( -6.724 0.252 9.190) 11.389 6.980 ( 7.442 0.071 -3.912) 8.408 7.171 ( 2.147 -0.047 -0.030) 2.148 7.285 ( -23.473 0.264 -1.913) 23.552 7.367 ( 2.868 0.075 0.168) 2.874 7.508 ( 5.228 0.754 -0.302) 5.290 7.664 ( 2.166 -0.228 5.529) 5.942 7.784 ( -3.631 -1.007 1.081) 3.920 8.116 ( 5.275 1.261 5.930) 8.037 8.376 ( 4.614 1.553 -2.735) 5.584 8.419 ( -1.464 0.047 1.747) 2.280 8.615 ( -7.654 -1.530 -2.231) 8.118 8.966 ( -11.058 -3.246 0.142) 11.525 9.093 ( -1.016 -0.182 0.305) 1.076 9.174 ( 2.499 -0.925 -0.706) 2.757 9.261 ( 1.516 -2.285 -1.424) 3.090 9.329 ( 6.097 -0.145 6.464) 8.887 9.922 ( -0.403 -0.144 -3.024) 3.054 ======================= Grid point 256 (95/171) ======================= q-point: (-0.43 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -13.127 1.761 3.080) 13.598 1.903 ( -14.935 3.855 20.608) 25.741 2.104 ( -8.988 -2.389 -6.223) 11.190 2.176 ( -0.675 -1.955 5.958) 6.306 2.480 ( -8.551 -4.944 4.916) 11.033 2.588 ( -4.241 -1.037 2.244) 4.909 2.675 ( -1.571 -4.262 -2.566) 5.217 3.054 ( -5.769 -1.813 15.480) 16.619 3.142 ( -3.574 2.229 -0.123) 4.214 3.311 ( 2.494 5.099 0.553) 5.703 3.419 ( 5.890 0.400 -2.939) 6.595 3.568 ( -8.246 0.754 3.360) 8.936 3.646 ( -12.533 0.448 0.441) 12.549 3.727 ( -10.542 -0.342 0.150) 10.549 3.836 ( -18.759 -1.832 -1.657) 18.921 3.935 ( -19.623 -0.265 2.158) 19.743 4.298 ( -23.077 2.398 -0.830) 23.216 5.109 ( 1.474 2.003 -18.823) 18.986 6.433 ( -9.657 0.054 3.136) 10.153 6.530 ( -43.216 -0.039 0.579) 43.220 7.162 ( -1.157 0.775 -1.379) 1.960 7.170 ( 0.860 0.838 -1.261) 1.742 7.459 ( 5.027 0.119 0.880) 5.105 7.640 ( 8.085 1.155 -4.435) 9.293 7.708 ( -2.496 -1.341 1.911) 3.417 7.798 ( 7.832 -0.905 0.146) 7.886 8.239 ( 6.972 1.616 6.118) 9.416 8.346 ( -4.274 0.444 0.422) 4.317 8.436 ( -1.803 -0.021 0.692) 1.931 8.477 ( -5.557 0.606 -1.389) 5.760 8.738 ( -13.439 -8.881 4.842) 16.820 9.079 ( -0.953 -1.708 0.684) 2.071 9.256 ( 5.671 1.271 -2.008) 6.149 9.351 ( 7.022 -0.264 -1.923) 7.285 9.466 ( 7.938 0.337 6.815) 10.467 9.949 ( 3.133 -0.007 -1.518) 3.481 ======================= Grid point 257 (96/171) ======================= q-point: (-0.36 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -11.458 10.025 4.015) 15.745 1.575 ( -15.869 5.191 26.312) 31.163 1.934 ( -8.750 0.090 -9.090) 12.617 2.170 ( -5.219 -4.239 5.694) 8.810 2.277 ( -12.517 -0.518 7.191) 14.445 2.536 ( -2.356 0.214 4.649) 5.216 2.642 ( -4.078 -0.833 -1.466) 4.413 2.917 ( -14.602 -1.747 11.903) 18.919 3.020 ( -6.317 -0.894 4.768) 7.965 3.164 ( -28.632 -1.762 0.979) 28.703 3.236 ( -16.314 -1.021 -1.337) 16.401 3.337 ( -12.426 -1.940 1.871) 12.715 3.456 ( -5.671 0.799 1.404) 5.896 3.504 ( -1.008 -0.256 -3.819) 3.958 3.536 ( -7.316 -1.932 1.141) 7.652 3.808 ( -1.178 1.879 1.404) 2.625 4.029 ( -4.470 -0.953 -0.809) 4.642 5.104 ( -6.701 3.721 -21.995) 23.292 5.648 ( -40.423 0.555 6.060) 40.879 6.186 ( -19.087 -1.260 -14.125) 23.779 7.032 ( -9.465 -0.199 -2.188) 9.716 7.137 ( -5.436 1.417 -2.650) 6.212 7.551 ( 3.996 0.082 2.047) 4.491 7.664 ( -2.701 -5.079 6.323) 8.548 7.783 ( 5.685 1.156 -4.891) 7.588 7.960 ( 7.152 -0.760 -0.658) 7.222 8.242 ( -6.206 -0.754 0.782) 6.301 8.254 ( -4.690 -0.438 0.425) 4.730 8.307 ( -12.783 -5.869 7.534) 15.956 8.455 ( 6.171 1.529 6.261) 8.923 8.638 ( -2.341 -5.619 3.901) 7.230 9.077 ( -0.229 -2.351 1.648) 2.880 9.361 ( 5.869 3.169 -1.637) 6.868 9.517 ( 10.278 2.625 -3.831) 11.279 9.621 ( 8.223 0.542 7.535) 11.166 10.034 ( 5.343 0.327 0.380) 5.367 ======================= Grid point 258 (97/171) ======================= q-point: (-0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -5.610 18.888 5.279) 20.398 1.258 ( -13.750 8.722 27.164) 31.670 1.755 ( -24.892 7.315 17.499) 31.294 1.792 ( -8.779 1.598 -3.444) 9.565 2.135 ( -11.981 0.178 -3.964) 12.621 2.419 ( -9.933 -0.977 2.854) 10.381 2.527 ( -10.555 -0.424 2.626) 10.884 2.571 ( -10.716 -0.199 -1.176) 10.782 2.665 ( -12.343 -6.980 5.024) 15.044 3.009 ( 0.841 -4.294 9.932) 10.853 3.089 ( -4.853 -1.601 0.082) 5.111 3.221 ( -0.217 -4.913 11.246) 12.274 3.344 ( -6.061 -5.109 3.262) 8.572 3.414 ( -1.046 1.018 -0.436) 1.523 3.572 ( 2.393 0.598 -6.464) 6.919 3.822 ( 3.014 1.248 2.203) 3.937 4.027 ( 1.666 -2.587 -0.926) 3.213 4.498 ( -38.654 1.606 -1.462) 38.715 5.371 ( -3.492 3.471 -15.455) 16.220 5.551 ( -49.005 -4.854 -30.590) 57.973 6.890 ( -3.759 -1.138 1.294) 4.135 6.984 ( -8.340 0.151 -1.648) 8.502 7.567 ( -4.592 -8.689 14.038) 17.136 7.671 ( 0.676 -4.963 10.002) 11.186 7.816 ( -1.967 -1.601 5.027) 5.630 8.045 ( 1.734 -0.572 1.971) 2.687 8.124 ( -5.316 -0.342 0.359) 5.339 8.143 ( -6.098 -3.247 6.871) 9.744 8.231 ( 0.886 -4.736 -3.098) 5.729 8.540 ( 2.570 2.140 0.396) 3.368 8.644 ( 0.708 -2.665 7.869) 8.338 9.092 ( 0.372 -2.633 2.763) 3.834 9.434 ( 3.537 4.769 -0.566) 5.965 9.681 ( 7.188 3.924 -4.477) 9.334 9.778 ( 8.073 -0.953 6.133) 10.183 10.133 ( 4.824 0.485 2.055) 5.266 ======================= Grid point 259 (98/171) ======================= q-point: (-0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -0.000 14.685 18.465) 23.593 0.974 ( -0.000 23.016 7.122) 24.093 1.403 ( -0.000 9.709 43.956) 45.015 1.717 ( -0.000 3.159 -11.711) 12.129 1.932 ( -0.000 1.250 -6.954) 7.066 2.282 ( 0.000 -1.424 2.451) 2.835 2.455 ( -0.000 2.341 -1.732) 2.912 2.463 ( 0.000 -5.486 4.029) 6.807 2.634 ( 0.000 -5.727 7.624) 9.536 3.003 ( -0.000 0.073 0.618) 0.622 3.071 ( 0.000 -3.393 -0.965) 3.527 3.296 ( 0.000 -8.867 0.153) 8.868 3.385 ( 0.000 -0.809 3.325) 3.422 3.453 ( 0.000 -14.720 22.036) 26.501 3.601 ( -0.000 0.256 -6.674) 6.679 3.905 ( -0.000 0.126 1.703) 1.707 4.064 ( -0.000 1.934 2.354) 3.047 4.127 ( -0.000 0.339 0.796) 0.865 4.478 ( -0.000 4.336 -8.540) 9.578 5.400 ( -0.000 5.056 -17.051) 17.785 6.874 ( 0.000 -0.460 -0.407) 0.614 6.893 ( 0.000 -1.010 -0.847) 1.318 7.561 ( 0.000 -14.954 24.992) 29.124 7.706 ( 0.000 -5.578 11.909) 13.150 7.796 ( 0.000 -3.481 12.447) 12.925 8.061 ( -0.000 0.457 0.009) 0.457 8.066 ( -0.000 0.410 -0.097) 0.422 8.098 ( 0.000 -3.178 7.009) 7.696 8.276 ( 0.000 -4.979 -4.909) 6.992 8.549 ( -0.000 1.675 -2.490) 3.001 8.669 ( 0.000 -2.238 10.312) 10.552 9.111 ( 0.000 -2.710 3.132) 4.142 9.442 ( -0.000 5.601 -0.123) 5.602 9.730 ( -0.000 3.921 -2.913) 4.885 9.893 ( 0.000 -4.595 2.624) 5.292 10.192 ( 0.000 -0.446 2.477) 2.517 ======================= Grid point 266 (99/171) ======================= q-point: (-0.71 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 5.745 0.000 8.486) 10.248 2.134 ( -1.056 -0.000 2.226) 2.464 2.252 ( 4.334 0.000 -0.329) 4.347 2.343 ( 13.353 0.000 -1.092) 13.397 2.669 ( -4.414 -0.000 1.876) 4.796 2.705 ( -5.406 -0.000 33.263) 33.700 2.713 ( -1.786 -0.000 -0.674) 1.909 2.958 ( 1.080 0.000 -2.412) 2.643 3.145 ( 3.547 0.000 2.514) 4.348 3.189 ( -10.190 -0.000 -3.602) 10.808 3.360 ( -0.847 -0.000 2.277) 2.429 3.749 ( 2.362 0.000 0.730) 2.473 3.800 ( 1.226 0.000 -0.233) 1.248 4.128 ( 0.386 0.000 2.775) 2.802 4.240 ( -1.688 -0.000 -3.538) 3.920 5.027 ( -5.986 -0.000 4.110) 7.261 5.286 ( -5.066 -0.000 -1.845) 5.392 5.313 ( -4.811 -0.000 -18.847) 19.451 6.584 ( 5.974 0.000 -0.334) 5.983 6.719 ( -0.626 -0.000 0.649) 0.902 7.050 ( 2.357 0.000 0.539) 2.418 7.255 ( 0.599 0.000 -5.987) 6.016 7.508 ( -2.949 -0.000 18.804) 19.034 7.567 ( -0.834 -0.000 8.543) 8.583 7.874 ( -1.060 -0.000 2.802) 2.996 8.061 ( -6.978 -0.000 -3.230) 7.689 8.080 ( -0.654 -0.000 -1.673) 1.796 8.251 ( -0.147 -0.000 0.990) 1.001 8.415 ( 1.616 0.000 1.658) 2.315 8.781 ( -1.369 -0.000 -8.294) 8.406 9.071 ( -1.117 -0.000 3.903) 4.059 9.178 ( -2.038 -0.000 0.267) 2.055 9.205 ( 0.154 0.000 5.619) 5.621 9.240 ( -2.689 -0.000 -0.608) 2.757 9.288 ( -2.086 -0.000 -1.837) 2.779 9.995 ( -1.910 -0.000 -4.037) 4.466 ======================= Grid point 268 (100/171) ======================= q-point: (-0.64 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -2.449 -1.308 5.737) 6.373 2.140 ( 1.252 0.077 4.097) 4.284 2.241 ( -2.406 -0.075 0.162) 2.413 2.497 ( -9.116 -0.388 10.787) 14.128 2.603 ( -3.115 -0.389 16.924) 17.212 2.683 ( -1.781 -1.114 -1.364) 2.504 2.744 ( 13.985 -0.067 -0.749) 14.006 2.990 ( -7.501 -0.160 -1.934) 7.748 3.053 ( 8.223 0.588 -2.947) 8.755 3.216 ( 3.773 0.164 0.695) 3.840 3.312 ( -3.895 -0.165 8.509) 9.360 3.770 ( 0.319 2.555 0.545) 2.632 3.801 ( -1.278 -1.513 -0.104) 1.983 4.087 ( -4.410 1.985 2.054) 5.254 4.177 ( -5.405 -0.994 -3.013) 6.268 4.827 ( -15.249 -0.107 3.915) 15.744 5.119 ( -11.990 1.221 -2.234) 12.258 5.211 ( -5.734 -0.765 -17.614) 18.539 6.688 ( -3.055 0.042 6.453) 7.140 6.762 ( 11.695 -0.248 -0.911) 11.733 7.109 ( 3.572 0.022 0.116) 3.574 7.283 ( 2.649 0.012 -4.721) 5.413 7.466 ( -0.431 -0.005 8.997) 9.007 7.545 ( -2.031 0.006 4.864) 5.271 7.829 ( -15.848 0.070 1.015) 15.881 7.839 ( -2.865 -0.268 1.514) 3.252 8.073 ( 0.731 0.397 2.657) 2.784 8.291 ( 3.964 0.019 -1.109) 4.116 8.439 ( 0.539 0.332 1.325) 1.468 8.722 ( -4.958 -0.432 -4.984) 7.043 9.061 ( -0.634 0.037 0.012) 0.636 9.137 ( -2.454 -0.482 0.236) 2.512 9.166 ( -4.119 -0.213 -0.019) 4.124 9.236 ( 2.678 0.020 6.078) 6.642 9.244 ( -1.828 -0.870 -1.176) 2.342 9.951 ( -2.347 -0.045 -3.848) 4.508 ======================= Grid point 269 (101/171) ======================= q-point: (-0.57 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -8.238 -1.600 2.608) 8.788 2.148 ( -1.773 2.131 6.844) 7.384 2.168 ( -4.575 -1.238 0.860) 4.817 2.279 ( -12.186 -1.432 14.811) 19.233 2.538 ( -4.545 -2.215 6.460) 8.203 2.651 ( -2.165 -2.219 -2.476) 3.968 2.703 ( -9.181 -0.886 -2.634) 9.592 3.100 ( 4.808 0.372 5.803) 7.545 3.181 ( 3.246 1.372 -0.970) 3.655 3.258 ( 2.464 0.571 10.075) 10.388 3.300 ( 5.670 0.024 -2.371) 6.146 3.717 ( -4.608 2.058 1.087) 5.163 3.782 ( -1.332 0.271 -0.182) 1.371 3.936 ( -10.250 1.596 1.532) 10.486 4.038 ( -9.248 -0.507 -2.949) 9.720 4.438 ( -25.108 -0.508 3.027) 25.295 4.791 ( -21.591 1.247 -1.661) 21.691 5.129 ( -2.400 0.132 -16.896) 17.066 6.592 ( -6.763 0.133 9.159) 11.386 6.981 ( 7.650 0.056 -3.997) 8.631 7.170 ( 2.212 -0.027 0.051) 2.212 7.287 ( -23.125 0.162 -1.861) 23.201 7.367 ( 2.888 0.046 0.249) 2.899 7.514 ( 5.493 0.411 -0.437) 5.526 7.662 ( 2.154 -0.065 5.349) 5.767 7.776 ( -3.884 -0.612 1.056) 4.071 8.126 ( 5.286 0.711 6.319) 8.269 8.388 ( 5.775 0.688 -2.104) 6.184 8.422 ( -2.270 0.423 1.015) 2.522 8.601 ( -7.746 -1.178 -1.692) 8.015 8.939 ( -12.678 -1.887 0.382) 12.824 9.091 ( -1.844 -0.094 0.381) 1.885 9.168 ( 3.648 -0.359 -0.878) 3.769 9.242 ( 2.047 -1.281 -1.618) 2.907 9.328 ( 6.285 -0.091 6.450) 9.006 9.921 ( -0.375 -0.081 -3.073) 3.097 ======================= Grid point 270 (102/171) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -9.690 1.919 1.701) 10.023 1.936 ( -14.993 2.508 22.922) 27.505 2.077 ( -8.216 -2.422 -7.512) 11.393 2.172 ( -0.438 0.686 5.805) 5.862 2.424 ( -9.122 -5.497 3.353) 11.166 2.582 ( -3.481 -0.120 3.743) 5.113 2.636 ( -1.299 -3.405 -2.165) 4.239 3.038 ( -6.338 -1.281 16.629) 17.842 3.164 ( -3.294 1.964 -1.144) 4.002 3.357 ( 3.709 3.926 0.677) 5.443 3.420 ( 5.688 -0.313 -2.877) 6.382 3.582 ( -8.251 1.699 2.791) 8.875 3.652 ( -15.865 0.730 0.516) 15.890 3.718 ( -11.996 -1.438 -0.117) 12.083 3.818 ( -20.855 -1.632 -1.551) 20.976 3.935 ( -16.586 0.203 1.865) 16.692 4.316 ( -24.153 1.257 -0.431) 24.190 5.127 ( 2.366 1.370 -18.579) 18.779 6.434 ( -9.804 0.025 3.080) 10.276 6.530 ( -43.245 -0.048 0.475) 43.248 7.167 ( -3.002 0.288 -0.960) 3.165 7.181 ( 3.127 0.989 -1.373) 3.555 7.460 ( 5.042 0.100 0.870) 5.118 7.649 ( 7.010 0.537 -4.437) 8.314 7.698 ( -2.674 -0.655 1.360) 3.071 7.790 ( 8.355 -0.653 -0.296) 8.385 8.253 ( 6.886 1.146 6.734) 9.699 8.349 ( -4.778 0.182 0.557) 4.814 8.437 ( -4.635 0.124 2.352) 5.199 8.486 ( -1.797 1.245 -1.697) 2.768 8.656 ( -15.741 -7.089 5.651) 18.165 9.064 ( -1.287 -1.152 0.855) 1.927 9.268 ( 6.399 0.919 -2.151) 6.813 9.348 ( 8.292 -0.275 -2.349) 8.622 9.469 ( 8.165 0.249 6.738) 10.589 9.948 ( 3.214 -0.033 -1.460) 3.530 ======================= Grid point 271 (103/171) ======================= q-point: (-0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -6.756 9.501 1.615) 11.770 1.622 ( -15.067 3.891 27.975) 32.012 1.928 ( -7.909 -1.325 -10.022) 12.835 2.140 ( -6.278 -1.687 5.798) 8.710 2.260 ( -8.707 -2.703 6.581) 11.244 2.538 ( -1.656 0.221 5.362) 5.616 2.624 ( -2.218 -2.519 -1.620) 3.727 2.901 ( -12.559 -1.482 14.377) 19.147 3.032 ( -10.229 2.976 2.560) 10.957 3.145 ( -33.561 -1.845 1.136) 33.631 3.224 ( -17.862 -1.821 -0.077) 17.954 3.328 ( -10.946 0.464 1.745) 11.094 3.467 ( -3.217 1.362 0.159) 3.497 3.490 ( -11.885 -2.897 0.865) 12.263 3.521 ( 1.680 -0.800 -3.389) 3.866 3.830 ( -1.290 2.391 0.625) 2.788 4.012 ( -6.518 -2.287 0.314) 6.914 5.138 ( -7.079 2.920 -21.553) 22.873 5.653 ( -39.100 0.484 5.672) 39.512 6.174 ( -20.640 -1.190 -14.389) 25.189 7.031 ( -10.134 -0.087 -1.769) 10.287 7.153 ( -5.548 1.607 -2.853) 6.442 7.551 ( 2.871 -0.036 2.619) 3.886 7.610 ( -4.903 -5.103 8.694) 11.210 7.794 ( 5.098 1.020 -5.301) 7.425 7.955 ( 7.452 -0.276 -1.889) 7.692 8.212 ( -11.421 -4.853 6.399) 13.962 8.251 ( -5.068 -0.300 0.374) 5.091 8.271 ( -10.774 -1.090 6.969) 12.877 8.471 ( 7.221 1.542 8.134) 10.986 8.596 ( 0.310 -2.954 0.925) 3.111 9.056 ( -0.342 -1.812 1.865) 2.623 9.388 ( 6.459 2.151 -1.752) 7.029 9.540 ( 11.214 1.850 -4.396) 12.186 9.627 ( 8.219 0.631 7.235) 10.967 10.036 ( 5.415 0.103 0.618) 5.451 ======================= Grid point 272 (104/171) ======================= q-point: (-0.36 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -2.992 17.647 3.126) 18.170 1.339 ( -11.287 7.060 29.165) 32.060 1.803 ( -8.121 0.546 -3.623) 8.909 1.806 ( -21.037 2.209 12.244) 24.441 2.144 ( -9.992 1.791 -1.531) 10.266 2.418 ( -12.975 0.590 3.107) 13.355 2.514 ( -17.452 -2.234 -0.780) 17.612 2.570 ( -5.224 0.262 1.057) 5.336 2.611 ( -9.439 -3.590 6.302) 11.903 2.968 ( 0.653 -3.524 11.038) 11.606 3.075 ( -4.172 -1.522 0.610) 4.483 3.171 ( -3.903 -4.534 8.153) 10.112 3.283 ( -8.984 -6.181 7.020) 12.970 3.434 ( -0.451 2.300 -2.933) 3.755 3.576 ( 2.389 0.215 -6.622) 7.043 3.836 ( 2.985 1.506 1.850) 3.821 3.996 ( 1.707 -3.372 0.007) 3.779 4.513 ( -38.663 1.416 -1.256) 38.709 5.401 ( -15.197 1.959 -18.322) 23.884 5.505 ( -37.890 -3.720 -23.633) 44.810 6.879 ( -3.666 -1.068 2.849) 4.764 6.987 ( -9.249 0.540 -1.748) 9.428 7.447 ( -11.971 -12.639 29.913) 34.610 7.646 ( 2.628 -0.888 4.915) 5.644 7.811 ( -1.721 0.182 3.607) 4.001 8.043 ( 2.147 0.130 0.690) 2.259 8.105 ( -2.883 -2.382 0.974) 3.864 8.136 ( -4.706 0.388 1.722) 5.026 8.193 ( -0.037 -2.812 -2.546) 3.794 8.560 ( 1.735 1.636 0.064) 2.385 8.627 ( 2.456 -0.907 8.251) 8.657 9.067 ( 0.290 -2.319 3.056) 3.847 9.477 ( 3.971 3.667 -0.593) 5.438 9.717 ( 7.191 3.128 -3.995) 8.801 9.773 ( 7.054 -0.107 4.693) 8.473 10.136 ( 4.479 0.015 2.287) 5.029 ======================= Grid point 273 (105/171) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.000 13.315 15.270) 20.259 1.182 ( -0.000 17.569 14.308) 22.658 1.503 ( -0.000 9.711 32.643) 34.057 1.748 ( -0.000 2.651 -11.607) 11.906 1.945 ( -0.000 1.296 -5.938) 6.078 2.268 ( 0.000 -1.290 2.759) 3.045 2.403 ( 0.000 -5.344 3.406) 6.338 2.479 ( -0.000 2.373 -2.170) 3.216 2.597 ( 0.000 -2.011 9.988) 10.188 3.000 ( 0.000 -1.031 0.243) 1.059 3.038 ( 0.000 -2.788 -0.690) 2.872 3.193 ( 0.000 -10.474 0.575) 10.490 3.288 ( 0.000 -12.628 29.114) 31.735 3.420 ( -0.000 2.033 -2.545) 3.257 3.604 ( -0.000 0.235 -7.039) 7.043 3.901 ( 0.000 -0.744 0.019) 0.744 4.084 ( -0.000 1.945 2.107) 2.868 4.131 ( -0.000 0.382 0.938) 1.013 4.503 ( -0.000 0.966 -6.136) 6.212 5.451 ( -0.000 4.841 -16.991) 17.668 6.869 ( 0.000 -0.466 -0.469) 0.662 6.883 ( 0.000 -1.013 -0.786) 1.282 7.374 ( 0.000 -18.124 46.443) 49.855 7.677 ( 0.000 -1.057 6.046) 6.138 7.789 ( -0.000 0.447 5.505) 5.523 8.065 ( -0.000 0.474 0.005) 0.474 8.070 ( -0.000 0.386 -0.087) 0.396 8.086 ( 0.000 -0.047 1.158) 1.159 8.228 ( 0.000 -4.304 -4.882) 6.508 8.562 ( -0.000 1.005 -2.477) 2.674 8.659 ( 0.000 -0.005 9.963) 9.963 9.084 ( 0.000 -2.616 3.554) 4.413 9.495 ( -0.000 4.692 -0.026) 4.692 9.768 ( -0.000 3.434 -1.178) 3.630 9.861 ( 0.000 -1.918 0.428) 1.965 10.187 ( 0.000 -0.546 2.752) 2.806 ======================= Grid point 282 (106/171) ======================= q-point: (-0.64 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -7.662 -0.000 2.506) 8.061 2.160 ( -6.309 -0.000 2.191) 6.679 2.162 ( 0.980 0.000 5.019) 5.114 2.271 ( -12.962 -0.000 15.292) 20.047 2.526 ( -5.071 -0.000 6.203) 8.012 2.640 ( -2.149 -0.000 -2.477) 3.279 2.699 ( -9.102 -0.000 -2.168) 9.356 3.101 ( 4.192 0.000 6.283) 7.554 3.188 ( 3.210 0.000 -1.020) 3.368 3.261 ( 3.269 0.000 9.698) 10.234 3.300 ( 5.604 0.000 -2.449) 6.115 3.728 ( -5.278 -0.000 0.812) 5.340 3.783 ( -0.494 -0.000 -0.111) 0.506 3.944 ( -10.925 -0.000 1.732) 11.061 4.035 ( -9.210 -0.000 -3.151) 9.734 4.435 ( -25.200 -0.000 3.190) 25.401 4.797 ( -21.561 -0.000 -1.721) 21.630 5.129 ( -2.231 -0.000 -16.887) 17.034 6.593 ( -6.777 -0.000 9.147) 11.385 6.981 ( 7.726 0.000 -4.031) 8.714 7.170 ( 2.236 0.000 0.080) 2.238 7.288 ( -23.002 -0.000 -1.839) 23.075 7.368 ( 2.902 0.000 0.275) 2.915 7.516 ( 5.579 0.000 -0.486) 5.600 7.662 ( 2.183 0.000 5.278) 5.711 7.772 ( -3.997 -0.000 1.053) 4.133 8.130 ( 5.284 0.000 6.466) 8.350 8.391 ( 5.970 0.000 -1.611) 6.184 8.424 ( -2.245 -0.000 0.438) 2.288 8.594 ( -7.872 -0.000 -1.433) 8.001 8.929 ( -13.230 -0.000 0.438) 13.237 9.091 ( -2.199 -0.000 0.403) 2.235 9.166 ( 4.117 0.000 -0.892) 4.212 9.236 ( 2.213 0.000 -1.727) 2.808 9.327 ( 6.347 0.000 6.451) 9.050 9.921 ( -0.366 -0.000 -3.091) 3.113 ======================= Grid point 284 (107/171) ======================= q-point: (-0.57 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -7.595 0.849 0.753) 7.679 1.952 ( -14.924 0.718 23.674) 27.995 2.061 ( -8.550 -0.766 -6.438) 10.730 2.181 ( 1.049 0.805 4.708) 4.890 2.380 ( -10.241 -2.614 2.805) 10.935 2.584 ( -3.093 0.382 4.857) 5.771 2.609 ( -1.410 -1.634 -2.671) 3.434 3.029 ( -6.611 -0.444 17.187) 18.420 3.178 ( -3.021 0.734 -1.501) 3.453 3.388 ( 4.865 2.067 0.951) 5.371 3.414 ( 5.286 -0.824 -3.039) 6.152 3.596 ( -8.073 0.856 2.373) 8.458 3.661 ( -18.309 0.943 0.916) 18.356 3.702 ( -12.301 -1.324 -0.443) 12.380 3.805 ( -22.133 -0.692 -1.618) 22.203 3.937 ( -14.795 0.151 1.604) 14.882 4.324 ( -24.976 0.373 -0.147) 24.979 5.136 ( 2.861 0.485 -18.445) 18.672 6.434 ( -9.874 0.006 3.040) 10.331 6.529 ( -43.279 -0.021 0.416) 43.281 7.169 ( -3.116 0.089 -0.787) 3.215 7.188 ( 3.531 0.402 -1.370) 3.809 7.460 ( 5.051 0.039 0.861) 5.124 7.652 ( 5.615 0.121 -4.121) 6.966 7.694 ( -2.143 -0.156 0.696) 2.259 7.785 ( 8.761 -0.245 -0.577) 8.783 8.261 ( 6.826 0.417 7.089) 9.850 8.350 ( -4.966 0.037 0.608) 5.004 8.438 ( -6.809 0.069 3.460) 7.638 8.500 ( 3.433 1.172 -2.161) 4.222 8.601 ( -19.537 -3.281 6.249) 20.773 9.056 ( -1.453 -0.404 0.900) 1.757 9.274 ( 6.668 0.344 -2.112) 7.003 9.346 ( 9.022 -0.124 -2.610) 9.393 9.471 ( 8.315 0.092 6.704) 10.682 9.948 ( 3.246 -0.017 -1.436) 3.550 ======================= Grid point 285 (108/171) ======================= q-point: (-0.50 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -3.154 6.234 -0.741) 7.026 1.651 ( -14.576 1.929 29.173) 32.669 1.913 ( -7.291 -1.306 -9.809) 12.291 2.132 ( -11.115 -0.155 6.790) 13.026 2.230 ( -2.697 -2.718 5.167) 6.431 2.542 ( -1.381 0.620 6.435) 6.611 2.597 ( -1.441 -2.439 -2.376) 3.697 2.888 ( -11.023 -0.921 16.107) 19.540 3.069 ( -11.550 3.676 0.086) 12.122 3.131 ( -33.516 -0.725 1.167) 33.544 3.198 ( -21.970 -3.080 1.434) 22.231 3.348 ( -10.452 3.180 2.323) 11.169 3.452 ( -15.125 -4.207 1.874) 15.811 3.482 ( -1.917 1.349 -0.322) 2.366 3.515 ( 3.515 -0.572 -4.921) 6.075 3.855 ( -0.959 2.253 -0.849) 2.592 3.987 ( -8.398 -2.417 1.978) 8.960 5.162 ( -7.430 1.598 -21.251) 22.569 5.657 ( -38.064 0.286 5.375) 38.443 6.164 ( -21.864 -0.733 -14.574) 26.286 7.030 ( -10.602 -0.016 -1.469) 10.703 7.167 ( -5.467 1.189 -3.352) 6.522 7.547 ( -4.373 -1.023 7.640) 8.863 7.569 ( -0.610 -2.321 6.416) 6.850 7.803 ( 4.892 0.653 -5.688) 7.531 7.953 ( 7.755 -0.128 -3.145) 8.369 8.167 ( -14.092 -3.320 11.569) 18.532 8.248 ( -5.256 -0.149 0.405) 5.273 8.267 ( -8.908 -0.017 4.701) 10.073 8.484 ( 7.930 0.988 9.948) 12.760 8.574 ( 1.423 -1.332 -1.279) 2.331 9.041 ( -0.443 -0.991 1.901) 2.189 9.404 ( 6.829 1.084 -1.795) 7.144 9.554 ( 11.795 0.953 -4.631) 12.707 9.633 ( 8.297 0.426 7.151) 10.962 10.036 ( 5.412 0.001 0.745) 5.463 ======================= Grid point 286 (109/171) ======================= q-point: (-0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -9.797 4.418 30.934) 32.748 1.450 ( -0.979 14.841 0.699) 14.889 1.797 ( -20.291 -2.772 15.024) 25.399 1.806 ( -5.181 -0.678 -9.593) 10.924 2.169 ( -9.368 2.678 -0.208) 9.746 2.428 ( -14.888 1.150 3.495) 15.336 2.486 ( -18.875 -2.904 -0.299) 19.100 2.576 ( -2.833 0.528 3.703) 4.692 2.589 ( -8.043 -0.871 2.717) 8.534 2.942 ( -0.659 -1.341 12.706) 12.794 3.053 ( -3.008 -2.788 1.665) 4.426 3.137 ( -8.170 -1.947 4.217) 9.399 3.225 ( -9.892 -4.953 9.950) 14.879 3.456 ( -0.454 1.971 -3.931) 4.421 3.576 ( 2.446 -0.214 -6.801) 7.230 3.852 ( 2.307 1.711 0.546) 2.923 3.961 ( 2.471 -3.350 1.622) 4.468 4.526 ( -38.602 0.968 -1.143) 38.631 5.404 ( -43.691 -1.145 -22.105) 48.978 5.485 ( -9.697 -0.325 -16.301) 18.970 6.870 ( -3.636 -0.734 4.342) 5.711 6.994 ( -10.209 0.753 -2.223) 10.475 7.336 ( -13.809 -8.643 34.997) 38.603 7.642 ( 2.929 -0.172 3.488) 4.558 7.815 ( -1.574 0.453 3.175) 3.572 8.045 ( 2.069 0.297 -0.186) 2.099 8.083 ( 0.511 -1.933 -1.385) 2.432 8.140 ( -4.662 0.352 1.087) 4.799 8.172 ( -1.679 -1.338 -1.599) 2.677 8.572 ( 0.475 0.742 -1.330) 1.595 8.624 ( 4.229 0.139 10.372) 11.202 9.046 ( 0.184 -1.632 3.074) 3.485 9.508 ( 4.343 2.306 -0.679) 4.964 9.744 ( 7.377 2.134 -3.942) 8.632 9.773 ( 6.441 0.147 4.583) 7.906 10.135 ( 4.212 -0.165 2.426) 4.864 ======================= Grid point 287 (110/171) ======================= q-point: (-0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.000 10.058 13.119) 16.531 1.328 ( -0.000 11.134 28.132) 30.255 1.593 ( -0.000 7.648 14.428) 16.329 1.766 ( -0.000 0.939 -10.704) 10.746 1.957 ( -0.000 1.081 -5.003) 5.119 2.256 ( 0.000 -0.991 2.951) 3.113 2.370 ( 0.000 -0.848 5.057) 5.128 2.502 ( -0.000 2.059 -2.612) 3.326 2.584 ( 0.000 -0.907 9.336) 9.380 2.977 ( 0.000 -3.036 0.373) 3.059 3.022 ( 0.000 -0.503 -0.803) 0.947 3.091 ( 0.000 -9.356 1.072) 9.417 3.179 ( 0.000 -8.589 31.132) 32.295 3.442 ( -0.000 2.142 -4.492) 4.977 3.604 ( 0.000 -0.106 -7.230) 7.231 3.891 ( 0.000 -1.159 -1.531) 1.920 4.102 ( -0.000 1.568 1.893) 2.458 4.135 ( -0.000 0.338 1.065) 1.117 4.504 ( 0.000 -0.658 -3.096) 3.165 5.495 ( -0.000 3.738 -17.007) 17.413 6.864 ( 0.000 -0.379 -0.524) 0.647 6.873 ( 0.000 -0.815 -0.732) 1.095 7.221 ( 0.000 -11.748 48.994) 50.383 7.672 ( 0.000 -0.227 4.232) 4.238 7.795 ( -0.000 0.656 4.491) 4.538 8.070 ( -0.000 0.406 -0.004) 0.406 8.073 ( -0.000 0.279 -0.072) 0.288 8.088 ( -0.000 0.302 -1.382) 1.414 8.190 ( 0.000 -3.259 -4.930) 5.910 8.569 ( -0.000 0.404 -2.491) 2.523 8.665 ( -0.000 0.932 10.807) 10.847 9.059 ( 0.000 -2.146 3.642) 4.228 9.536 ( -0.000 3.396 -0.055) 3.396 9.799 ( -0.000 2.647 0.990) 2.826 9.849 ( 0.000 -0.582 -1.489) 1.599 10.181 ( 0.000 -0.544 2.927) 2.977 ======================= Grid point 298 (111/171) ======================= q-point: (-0.57 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -1.634 -0.000 -1.907) 2.512 1.661 ( -14.432 -0.000 29.580) 32.913 1.906 ( -7.104 -0.000 -9.483) 11.848 2.132 ( -15.280 -0.000 8.066) 17.278 2.215 ( 1.647 0.000 3.865) 4.201 2.547 ( -1.315 -0.000 8.277) 8.381 2.582 ( -1.289 -0.000 -4.141) 4.337 2.883 ( -10.602 -0.000 16.693) 19.775 3.090 ( -14.312 -0.000 -1.427) 14.383 3.131 ( -26.863 -0.000 0.816) 26.875 3.176 ( -26.965 -0.000 2.835) 27.114 3.375 ( -9.139 -0.000 3.652) 9.842 3.420 ( -17.348 -0.000 0.949) 17.374 3.490 ( -1.558 -0.000 0.076) 1.560 3.510 ( 3.706 0.000 -5.676) 6.779 3.868 ( -0.316 -0.000 -2.090) 2.114 3.972 ( -9.610 -0.000 3.269) 10.151 5.170 ( -7.575 -0.000 -21.143) 22.459 5.658 ( -37.667 -0.000 5.264) 38.033 6.160 ( -22.332 -0.000 -14.640) 26.703 7.030 ( -10.767 -0.000 -1.361) 10.853 7.174 ( -5.373 -0.000 -3.676) 6.510 7.538 ( -11.239 -0.000 13.232) 17.361 7.561 ( 5.075 0.000 2.006) 5.457 7.806 ( 4.862 0.000 -5.880) 7.629 7.953 ( 7.872 0.000 -3.678) 8.689 8.150 ( -14.454 -0.000 12.970) 19.421 8.247 ( -5.304 -0.000 0.418) 5.321 8.268 ( -8.632 -0.000 4.272) 9.632 8.489 ( 8.239 0.000 10.837) 13.613 8.568 ( 1.654 0.000 -2.214) 2.763 9.036 ( -0.484 -0.000 1.894) 1.955 9.410 ( 6.954 0.000 -1.805) 7.185 9.559 ( 11.992 0.000 -4.693) 12.877 9.635 ( 8.342 0.000 7.140) 10.981 10.036 ( 5.401 0.000 0.784) 5.457 ======================= Grid point 300 (112/171) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -8.998 1.460 32.003) 33.276 1.573 ( 3.006 8.313 -3.871) 9.650 1.753 ( -23.080 -4.367 16.560) 28.740 1.801 ( -3.648 -0.322 -9.165) 9.870 2.191 ( -9.346 1.256 -0.039) 9.430 2.438 ( -16.684 0.718 3.904) 17.150 2.462 ( -15.932 -1.482 0.277) 16.003 2.578 ( -3.235 0.011 6.348) 7.125 2.588 ( -7.353 0.150 -1.092) 7.435 2.939 ( -1.819 0.323 14.872) 14.986 3.025 ( -3.437 -2.005 1.068) 4.119 3.129 ( -10.844 -0.094 1.182) 10.909 3.187 ( -9.098 -2.129 12.450) 15.566 3.471 ( -0.554 0.847 -4.226) 4.345 3.573 ( 2.535 -0.217 -6.985) 7.434 3.868 ( 0.834 1.190 -2.028) 2.494 3.933 ( 4.022 -1.844 4.303) 6.172 4.533 ( -38.547 0.344 -1.096) 38.564 5.391 ( -56.257 -0.930 -21.939) 60.391 5.488 ( 2.774 0.360 -14.434) 14.702 6.864 ( -3.637 -0.257 5.256) 6.397 7.001 ( -10.922 0.402 -2.927) 11.314 7.276 ( -13.876 -3.035 36.569) 39.231 7.641 ( 2.981 -0.025 3.062) 4.274 7.819 ( -1.568 0.210 3.069) 3.453 8.048 ( 1.490 0.238 -0.021) 1.509 8.068 ( 2.673 -0.882 -3.152) 4.226 8.143 ( -4.640 0.135 0.911) 4.731 8.164 ( -2.553 -0.384 -1.124) 2.816 8.576 ( -0.207 0.148 -2.190) 2.205 8.626 ( 5.167 0.229 11.817) 12.899 9.035 ( 0.102 -0.596 2.997) 3.057 9.523 ( 4.554 0.784 -0.748) 4.681 9.760 ( 7.894 0.880 -5.641) 9.742 9.774 ( 5.788 -0.025 6.437) 8.656 10.133 ( 4.069 -0.091 2.486) 4.769 ======================= Grid point 301 (113/171) ======================= q-point: (-0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -0.000 5.420 11.883) 13.061 1.409 ( -0.000 5.053 41.136) 41.445 1.654 ( -0.000 4.222 -2.471) 4.892 1.769 ( 0.000 -0.158 -9.066) 9.068 1.966 ( -0.000 0.620 -4.341) 4.385 2.248 ( 0.000 -0.544 3.040) 3.089 2.379 ( -0.000 1.830 5.860) 6.139 2.519 ( -0.000 1.259 -2.991) 3.245 2.576 ( 0.000 -0.645 8.802) 8.826 2.949 ( 0.000 -2.162 0.749) 2.288 3.012 ( 0.000 -5.752 2.059) 6.110 3.020 ( 0.000 -0.047 -1.065) 1.066 3.113 ( 0.000 -4.340 31.266) 31.566 3.461 ( -0.000 1.429 -5.154) 5.348 3.602 ( 0.000 -0.295 -7.420) 7.426 3.880 ( 0.000 -0.848 -2.687) 2.818 4.115 ( -0.000 0.873 1.748) 1.954 4.138 ( -0.000 0.199 1.152) 1.169 4.495 ( 0.000 -0.774 -0.681) 1.030 5.525 ( -0.000 2.024 -17.056) 17.175 6.861 ( 0.000 -0.212 -0.562) 0.601 6.867 ( 0.000 -0.454 -0.695) 0.830 7.134 ( 0.000 -5.535 48.116) 48.433 7.670 ( 0.000 -0.041 3.606) 3.607 7.801 ( -0.000 0.417 4.220) 4.241 8.073 ( -0.000 0.263 -0.018) 0.264 8.075 ( -0.000 0.115 -0.054) 0.127 8.091 ( -0.000 0.197 -2.663) 2.670 8.164 ( 0.000 -1.808 -5.004) 5.321 8.572 ( -0.000 0.104 -2.442) 2.444 8.674 ( -0.000 0.812 11.695) 11.723 9.041 ( 0.000 -1.246 3.528) 3.742 9.563 ( -0.000 1.774 -0.137) 1.780 9.821 ( -0.000 1.637 3.868) 4.200 9.846 ( 0.000 -0.239 -3.893) 3.901 10.176 ( 0.000 -0.358 3.016) 3.037 ======================= Grid point 315 (114/171) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -0.000 0.000 11.479) 11.479 1.434 ( -0.000 0.000 45.891) 45.891 1.676 ( -0.000 0.000 -8.757) 8.757 1.768 ( -0.000 0.000 -8.263) 8.263 1.969 ( -0.000 0.000 -4.101) 4.101 2.245 ( -0.000 0.000 3.063) 3.063 2.391 ( -0.000 0.000 5.786) 5.786 2.526 ( -0.000 0.000 -3.152) 3.152 2.572 ( -0.000 0.000 8.870) 8.870 2.938 ( -0.000 0.000 0.927) 0.927 2.981 ( -0.000 0.001 2.364) 2.364 3.020 ( -0.000 0.000 -1.173) 1.173 3.091 ( -0.000 0.000 31.307) 31.307 3.469 ( -0.000 0.000 -5.301) 5.301 3.600 ( -0.000 0.000 -7.521) 7.521 3.876 ( -0.000 0.000 -3.119) 3.119 4.119 ( -0.000 0.000 1.698) 1.698 4.139 ( -0.000 0.000 1.182) 1.182 4.491 ( -0.000 0.001 0.233) 0.233 5.535 ( -0.000 0.000 -17.080) 17.080 6.860 ( -0.000 0.000 -0.575) 0.575 6.864 ( -0.000 0.000 -0.682) 0.682 7.106 ( -0.000 0.000 47.565) 47.565 7.670 ( -0.000 0.000 3.434) 3.434 7.803 ( -0.000 0.000 4.162) 4.162 8.075 ( 0.000 -0.000 -0.032) 0.032 8.076 ( -0.000 0.000 -0.038) 0.038 8.092 ( -0.000 0.000 -3.077) 3.077 8.154 ( -0.000 0.000 -5.030) 5.030 8.572 ( -0.000 0.000 -2.413) 2.413 8.679 ( -0.000 0.000 12.062) 12.062 9.035 ( -0.000 0.000 3.445) 3.445 9.572 ( -0.000 0.000 -0.178) 0.178 9.831 ( 0.000 -0.001 7.429) 7.429 9.844 ( -0.000 0.001 -7.235) 7.235 10.174 ( -0.000 0.000 3.040) 3.040 ======================= Grid point 410 (115/171) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 0.000 0.000 21.676) 21.676 1.197 ( 0.000 0.000 24.727) 24.727 1.206 ( 0.000 0.000 -21.933) 21.933 1.637 ( 0.000 0.000 -17.530) 17.530 2.188 ( 0.000 0.000 30.451) 30.451 2.352 ( 0.000 0.000 1.952) 1.952 2.387 ( 0.000 0.000 -1.342) 1.342 2.619 ( 0.000 0.000 -14.366) 14.366 2.888 ( 0.000 0.000 23.896) 23.896 3.040 ( 0.000 0.000 2.301) 2.301 3.089 ( 0.000 0.000 -2.293) 2.293 3.346 ( 0.000 0.000 -17.260) 17.260 3.424 ( 0.000 0.000 5.564) 5.564 3.505 ( 0.000 0.000 -2.427) 2.427 3.905 ( 0.000 0.000 4.974) 4.974 4.013 ( 0.000 0.000 -4.915) 4.915 4.091 ( 0.000 0.000 2.630) 2.630 4.125 ( 0.000 0.000 -0.576) 0.576 4.379 ( 0.000 0.000 17.211) 17.211 4.838 ( 0.000 0.000 -25.324) 25.324 6.879 ( 0.000 0.000 0.134) 0.134 6.890 ( 0.000 0.000 -0.920) 0.920 7.719 ( 0.000 0.000 3.359) 3.359 7.762 ( 0.000 0.000 -0.380) 0.380 8.034 ( 0.000 0.000 6.286) 6.286 8.053 ( 0.000 0.000 0.069) 0.069 8.055 ( 0.000 0.000 -0.131) 0.131 8.201 ( 0.000 0.000 -9.208) 9.208 8.445 ( 0.000 0.000 -0.040) 0.040 8.452 ( 0.000 0.000 -0.582) 0.582 9.018 ( 0.000 0.000 3.802) 3.802 9.104 ( 0.000 0.000 -4.187) 4.187 9.400 ( 0.000 0.000 7.135) 7.135 9.538 ( 0.000 0.000 -5.989) 5.989 10.139 ( 0.000 0.000 1.326) 1.326 10.173 ( 0.000 0.000 -1.737) 1.737 ======================= Grid point 411 (116/171) ======================= q-point: ( 0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 17.264 -3.413 18.232) 25.340 1.339 ( 12.863 -1.607 -18.311) 22.435 1.500 ( 21.167 -1.902 19.338) 28.733 1.877 ( 18.074 -0.926 -15.879) 24.076 2.294 ( 9.713 -0.584 23.054) 25.023 2.495 ( 7.249 0.376 -1.002) 7.328 2.557 ( 21.463 0.070 1.565) 21.520 2.710 ( 14.592 1.206 -10.845) 18.221 2.885 ( 0.206 -0.038 23.996) 23.997 3.128 ( 7.042 0.703 0.503) 7.095 3.141 ( 4.184 0.695 -0.808) 4.318 3.329 ( -0.984 0.151 -15.982) 16.013 3.428 ( 1.418 0.971 4.949) 5.239 3.500 ( 0.541 1.980 -2.095) 2.933 3.798 ( -10.056 0.750 23.649) 25.709 3.877 ( -2.373 1.426 5.038) 5.748 3.983 ( -2.605 -2.164 -3.631) 4.966 4.286 ( 11.543 -1.162 -17.087) 20.653 5.048 ( 25.488 -0.342 -5.801) 26.142 5.123 ( 46.949 -0.230 -12.990) 48.713 6.912 ( 3.570 0.067 0.714) 3.641 6.942 ( 4.863 0.064 -2.060) 5.281 7.689 ( -3.047 0.073 3.353) 4.532 7.742 ( -2.319 -0.161 -1.369) 2.697 7.959 ( -5.027 0.388 5.088) 7.164 8.047 ( -1.828 0.207 -2.378) 3.007 8.132 ( 5.419 -0.024 1.428) 5.604 8.203 ( 1.318 0.593 -5.653) 5.835 8.432 ( -0.815 1.247 0.188) 1.502 8.446 ( -1.223 -1.111 -0.944) 1.903 8.998 ( -1.003 1.868 3.873) 4.415 9.085 ( -1.815 -0.425 -4.221) 4.615 9.374 ( -2.723 -1.076 6.282) 6.931 9.491 ( -4.549 -0.817 -4.835) 6.689 10.042 ( -9.992 1.993 4.260) 11.043 10.087 ( -5.681 -1.237 -0.794) 5.868 ======================= Grid point 412 (117/171) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 22.325 -1.803 13.738) 26.275 1.652 ( 17.725 -0.790 -13.851) 22.509 1.842 ( 13.473 -2.418 16.034) 21.082 2.150 ( 8.912 -0.682 -12.927) 15.716 2.478 ( 7.776 -0.734 6.747) 10.322 2.571 ( 3.257 0.849 -2.843) 4.406 2.911 ( 3.486 0.671 24.948) 25.199 3.083 ( 22.626 -0.012 4.463) 23.062 3.168 ( 8.940 -0.023 -2.143) 9.193 3.221 ( 7.257 3.222 -1.467) 8.074 3.238 ( 22.148 1.770 -1.026) 22.242 3.324 ( 0.733 -0.484 -11.322) 11.356 3.521 ( 9.952 1.332 2.650) 10.385 3.550 ( 7.537 2.169 -0.232) 7.846 3.746 ( 2.952 0.795 23.133) 23.334 3.838 ( 0.460 0.175 4.457) 4.484 3.952 ( -1.250 -3.548 -1.212) 3.953 4.420 ( 3.460 -2.816 -31.847) 32.158 5.763 ( 42.883 0.010 6.380) 43.355 5.937 ( 36.014 0.185 -11.192) 37.713 7.010 ( 6.037 -0.183 0.268) 6.046 7.045 ( 4.825 -0.334 -2.866) 5.622 7.605 ( -5.550 0.015 2.953) 6.286 7.666 ( -5.990 -0.403 -2.863) 6.651 7.858 ( -4.219 0.972 5.108) 6.696 7.957 ( -6.290 1.019 -3.913) 7.478 8.252 ( 6.265 -0.072 0.565) 6.290 8.265 ( 4.431 0.217 -0.640) 4.482 8.397 ( -2.525 -0.386 0.630) 2.631 8.417 ( -1.887 -1.027 -1.528) 2.636 8.984 ( 1.204 3.027 2.900) 4.361 9.057 ( -1.025 -0.808 -3.846) 4.061 9.320 ( -2.973 -0.790 4.485) 5.438 9.398 ( -4.851 -0.680 -2.898) 5.692 9.835 ( -9.996 0.747 8.938) 13.431 9.968 ( -6.635 -0.518 -4.091) 7.812 ======================= Grid point 413 (118/171) ======================= q-point: ( 0.21 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 20.679 1.674 10.216) 23.125 1.988 ( 16.066 1.331 -6.764) 17.482 2.066 ( 9.151 -1.447 6.767) 11.473 2.246 ( 2.159 0.180 -7.362) 7.674 2.610 ( 6.619 -0.203 0.723) 6.661 2.655 ( 5.672 0.273 -3.412) 6.625 2.979 ( 3.754 3.226 19.242) 19.869 3.143 ( -3.057 -0.292 -1.391) 3.371 3.159 ( -2.172 0.335 2.616) 3.417 3.306 ( -1.423 -0.237 -6.816) 6.967 3.481 ( 9.293 -0.767 13.720) 16.588 3.618 ( 9.213 -0.529 -2.631) 9.596 3.722 ( 4.727 1.633 5.134) 7.167 3.751 ( 4.913 1.481 7.332) 8.950 3.847 ( 6.449 -0.901 1.360) 6.652 3.981 ( 21.543 0.613 -1.439) 21.600 4.180 ( 24.669 -3.665 3.187) 25.142 4.523 ( 7.120 -2.309 -27.793) 28.783 6.496 ( 22.020 -0.038 2.700) 22.185 6.533 ( 34.317 0.048 -0.819) 34.326 7.104 ( 1.409 -0.682 -0.480) 1.638 7.119 ( 4.457 -0.518 -1.733) 4.810 7.482 ( -6.908 -0.142 1.647) 7.103 7.528 ( -7.468 -0.635 -2.811) 8.005 7.811 ( -0.225 1.294 2.414) 2.748 7.841 ( -4.210 1.075 -0.224) 4.351 8.266 ( -4.902 -1.491 2.644) 5.766 8.306 ( -1.768 -1.210 -1.476) 2.602 8.422 ( 2.975 -0.074 0.096) 2.977 8.442 ( 6.893 -0.086 -1.475) 7.050 9.008 ( 2.478 2.541 1.483) 3.847 9.056 ( 0.349 -0.549 -2.880) 2.952 9.280 ( -1.018 0.978 2.853) 3.184 9.330 ( -2.000 0.712 -1.907) 2.854 9.660 ( -7.779 0.345 10.835) 13.343 9.856 ( -4.804 -0.073 -7.216) 8.669 ======================= Grid point 414 (119/171) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 10.386 4.887 6.521) 13.201 2.180 ( 4.887 -1.202 6.031) 7.855 2.214 ( 5.496 3.457 -4.257) 7.764 2.340 ( 9.927 -0.396 -7.125) 12.226 2.746 ( 7.362 1.869 -1.258) 7.699 2.758 ( 5.158 2.317 -2.400) 6.143 3.007 ( -0.958 1.254 7.170) 7.341 3.047 ( -7.495 -2.046 -0.484) 7.785 3.116 ( -1.728 -0.463 9.521) 9.687 3.261 ( -1.938 1.709 -3.446) 4.307 3.609 ( 4.591 -0.616 17.916) 18.506 3.683 ( -1.212 -1.953 2.933) 3.726 3.756 ( -2.367 -2.357 2.057) 3.923 3.825 ( 7.487 -0.564 -0.716) 7.543 4.000 ( 8.627 -2.249 6.876) 11.259 4.384 ( 15.684 -0.179 -16.030) 22.427 4.677 ( 22.653 -1.427 -0.499) 22.704 4.742 ( 14.413 -0.287 -11.798) 18.628 6.764 ( 5.562 -0.174 7.479) 9.323 6.888 ( -0.266 0.017 -4.993) 5.000 7.176 ( 0.003 -0.158 0.972) 0.984 7.216 ( 7.243 -0.227 -2.869) 7.794 7.400 ( 4.576 -0.272 2.881) 5.414 7.459 ( 2.716 -0.472 -2.314) 3.599 7.794 ( 0.563 0.903 4.200) 4.332 7.835 ( 2.478 0.933 0.057) 2.649 8.177 ( -4.369 -1.703 4.501) 6.500 8.253 ( -3.355 -1.598 -3.440) 5.064 8.482 ( 2.243 0.173 3.579) 4.228 8.566 ( 5.112 0.248 -4.303) 6.687 9.049 ( 2.466 0.829 0.654) 2.682 9.076 ( 2.204 -0.013 -1.564) 2.703 9.267 ( 0.340 2.500 2.100) 3.283 9.309 ( 0.065 2.305 -1.862) 2.964 9.538 ( -4.536 0.535 12.568) 13.372 9.794 ( -1.436 0.359 -10.353) 10.458 ======================= Grid point 415 (120/171) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 0.450 1.654 2.828) 3.307 2.186 ( -1.563 0.305 -0.548) 1.685 2.324 ( 1.943 2.689 5.871) 6.744 2.468 ( 0.180 1.821 -7.082) 7.315 2.786 ( -5.556 0.957 1.629) 5.868 2.810 ( -1.369 2.232 -1.014) 2.808 2.923 ( -2.767 -0.690 -1.091) 3.053 2.938 ( 4.144 2.415 -2.790) 5.549 3.170 ( 5.861 1.948 9.567) 11.387 3.234 ( -0.530 1.514 0.228) 1.621 3.666 ( 0.181 -2.734 5.359) 6.019 3.685 ( 1.165 -1.873 13.333) 13.514 3.738 ( -0.707 -4.307 8.588) 9.633 3.959 ( 5.626 -0.906 -1.681) 5.942 4.162 ( 6.525 -2.697 6.670) 9.712 4.607 ( 8.366 -0.813 -26.354) 27.662 4.996 ( 11.399 0.970 0.458) 11.449 5.041 ( 13.762 -0.713 -3.068) 14.118 6.766 ( -3.423 0.156 1.225) 3.639 6.773 ( -8.174 0.438 -0.277) 8.190 7.124 ( -3.604 -0.198 2.067) 4.160 7.187 ( -3.445 -0.146 -3.941) 5.237 7.624 ( 11.258 0.040 4.193) 12.013 7.635 ( 10.129 0.211 2.512) 10.438 7.858 ( 6.581 0.363 1.602) 6.783 7.885 ( 2.804 0.870 -0.718) 3.022 8.126 ( -1.789 -1.368 5.998) 6.407 8.213 ( -1.155 -1.186 -2.977) 3.406 8.497 ( -0.413 -0.016 5.164) 5.181 8.621 ( 0.855 0.248 -6.652) 6.711 9.099 ( 3.195 0.187 2.215) 3.892 9.145 ( 4.325 0.283 -2.088) 4.811 9.258 ( -0.039 2.580 1.793) 3.142 9.293 ( -0.598 2.126 -1.180) 2.504 9.478 ( -1.698 0.993 13.860) 13.999 9.790 ( 0.838 0.502 -13.144) 13.181 ======================= Grid point 416 (121/171) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -8.497 -0.068 4.437) 9.586 2.119 ( -5.873 -1.392 -0.041) 6.036 2.262 ( -3.032 1.351 2.290) 4.033 2.326 ( -7.931 1.670 -3.253) 8.733 2.719 ( -0.036 1.828 1.054) 2.111 2.748 ( -1.429 1.027 -1.630) 2.399 2.979 ( 5.467 2.057 2.492) 6.350 3.066 ( 7.651 2.611 -4.995) 9.503 3.201 ( -2.463 0.499 3.513) 4.320 3.251 ( 2.322 1.017 0.544) 2.592 3.690 ( 0.869 -2.522 1.694) 3.160 3.707 ( 0.172 -2.589 4.440) 5.142 3.764 ( 0.901 -1.924 26.497) 26.582 4.042 ( 2.571 -0.349 -0.687) 2.684 4.271 ( 3.367 -2.234 5.443) 6.779 4.731 ( 4.176 -0.568 -29.442) 29.742 5.145 ( 4.892 0.965 3.936) 6.353 5.232 ( 6.150 -0.329 -4.470) 7.610 6.624 ( -6.003 0.571 1.968) 6.343 6.687 ( -3.724 0.359 -3.453) 5.092 7.075 ( -1.473 -0.159 2.538) 2.939 7.146 ( -1.090 -0.069 -4.269) 4.407 7.745 ( 2.910 0.130 8.153) 8.658 7.818 ( 7.740 -0.270 6.258) 9.957 7.927 ( 2.007 1.008 -2.457) 3.329 7.982 ( 4.386 0.194 -4.588) 6.350 8.112 ( -0.621 -0.812 9.429) 9.484 8.233 ( 2.522 -0.558 -2.162) 3.368 8.478 ( -1.340 -0.133 5.316) 5.484 8.615 ( -0.811 0.066 -7.897) 7.939 9.159 ( 2.621 0.283 3.236) 4.174 9.217 ( 2.691 0.571 -2.304) 3.588 9.243 ( -0.016 1.344 1.409) 1.947 9.274 ( -0.325 0.898 -1.108) 1.462 9.447 ( -1.141 0.791 15.717) 15.779 9.808 ( 0.954 0.323 -15.120) 15.154 ======================= Grid point 417 (122/171) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -0.000 -0.000 5.956) 5.956 2.032 ( -0.000 -0.000 -1.449) 1.449 2.236 ( -0.000 -0.000 0.872) 0.872 2.259 ( -0.000 -0.000 -1.290) 1.290 2.718 ( 0.000 -0.000 0.410) 0.410 2.736 ( 0.000 -0.000 -1.176) 1.176 3.044 ( 0.000 0.000 4.316) 4.316 3.149 ( 0.000 0.000 -3.610) 3.610 3.160 ( 0.000 -0.000 3.619) 3.619 3.257 ( 0.000 -0.000 -5.047) 5.047 3.708 ( 0.000 -0.000 2.283) 2.283 3.718 ( 0.000 -0.001 -0.360) 0.360 3.778 ( 0.000 -0.000 33.608) 33.608 4.066 ( 0.000 -0.000 0.112) 0.112 4.310 ( 0.000 -0.000 4.730) 4.730 4.773 ( 0.000 -0.000 -30.280) 30.280 5.188 ( 0.000 -0.000 5.029) 5.029 5.291 ( -0.000 -0.000 -5.217) 5.217 6.562 ( 0.000 -0.000 2.641) 2.641 6.647 ( 0.000 -0.000 -4.970) 4.970 7.063 ( 0.000 -0.000 2.743) 2.743 7.137 ( 0.000 -0.000 -4.446) 4.446 7.771 ( -0.000 -0.000 9.427) 9.427 7.894 ( 0.000 -0.000 7.769) 7.769 7.949 ( 0.000 -0.000 -7.395) 7.395 8.019 ( 0.000 -0.000 -5.411) 5.411 8.106 ( 0.000 -0.000 14.178) 14.178 8.271 ( 0.000 -0.000 -2.578) 2.578 8.461 ( 0.000 -0.000 5.300) 5.300 8.605 ( 0.000 -0.000 -8.399) 8.399 9.183 ( 0.000 -0.000 3.410) 3.410 9.225 ( 0.000 -0.000 0.198) 0.198 9.262 ( -0.000 -0.000 -1.938) 1.938 9.266 ( 0.000 -0.000 -1.342) 1.342 9.431 ( 0.000 -0.000 17.547) 17.547 9.817 ( 0.000 -0.000 -15.872) 15.872 ======================= Grid point 426 (123/171) ======================= q-point: ( 0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 23.352 0.000 14.048) 27.252 1.648 ( 18.312 0.000 -13.982) 23.040 1.830 ( 13.821 0.000 16.344) 21.404 2.146 ( 9.329 0.000 -13.498) 16.408 2.474 ( 7.890 0.000 7.170) 10.661 2.575 ( 2.973 0.000 -3.299) 4.441 2.915 ( 3.742 0.000 25.457) 25.730 3.083 ( 22.763 0.000 4.671) 23.237 3.166 ( 9.311 0.000 -2.877) 9.745 3.243 ( 20.924 0.000 -2.383) 21.059 3.244 ( 6.577 0.000 0.499) 6.596 3.321 ( 1.258 0.000 -11.723) 11.790 3.528 ( 10.386 0.000 2.621) 10.711 3.562 ( 7.028 0.000 -0.984) 7.096 3.750 ( 3.235 0.000 26.921) 27.115 3.839 ( 0.381 0.000 4.960) 4.975 3.932 ( -2.130 -0.000 -4.121) 4.638 4.405 ( 3.659 0.000 -32.390) 32.596 5.763 ( 42.919 0.000 6.416) 43.396 5.938 ( 35.946 0.000 -11.251) 37.666 7.009 ( 5.958 0.000 0.200) 5.962 7.043 ( 4.724 0.000 -2.855) 5.520 7.605 ( -5.579 -0.000 2.898) 6.287 7.664 ( -6.027 -0.000 -2.708) 6.607 7.863 ( -4.206 -0.000 5.124) 6.629 7.962 ( -6.284 -0.000 -3.930) 7.412 8.252 ( 6.201 0.000 0.636) 6.234 8.266 ( 4.230 0.000 -0.719) 4.291 8.394 ( -3.042 -0.000 0.543) 3.090 8.412 ( -1.555 -0.000 -1.675) 2.285 9.002 ( 1.188 0.000 1.263) 1.734 9.051 ( -1.172 -0.000 -2.966) 3.190 9.316 ( -2.553 -0.000 4.654) 5.308 9.395 ( -4.555 -0.000 -2.794) 5.344 9.839 ( -10.295 -0.000 8.678) 13.464 9.965 ( -6.462 -0.000 -3.853) 7.523 ======================= Grid point 427 (124/171) ======================= q-point: ( 0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 21.985 0.661 10.403) 24.331 1.996 ( 15.906 0.372 -4.124) 16.436 2.057 ( 10.799 -0.437 4.950) 11.887 2.248 ( 1.937 0.138 -8.496) 8.715 2.607 ( 6.857 -0.244 0.793) 6.907 2.656 ( 5.632 -0.045 -3.676) 6.726 3.004 ( 5.016 1.367 21.120) 21.751 3.141 ( -3.935 0.239 0.004) 3.942 3.159 ( -3.869 -0.442 0.587) 3.938 3.307 ( -0.715 0.309 -7.481) 7.522 3.475 ( 9.186 -0.256 13.135) 16.031 3.614 ( 9.118 -0.201 -3.058) 9.620 3.726 ( -0.101 -0.101 5.810) 5.811 3.773 ( 7.897 1.835 12.362) 14.783 3.835 ( 4.574 -1.024 -2.789) 5.454 3.986 ( 20.752 0.288 -1.923) 20.842 4.153 ( 27.206 -1.480 3.500) 27.470 4.507 ( 7.896 -0.832 -28.358) 29.449 6.495 ( 21.947 -0.020 2.740) 22.117 6.533 ( 34.341 0.011 -0.821) 34.351 7.099 ( 1.367 -0.232 -0.498) 1.473 7.115 ( 4.595 -0.179 -1.848) 4.956 7.481 ( -6.968 -0.048 1.525) 7.133 7.523 ( -7.454 -0.243 -2.589) 7.894 7.820 ( -0.203 0.475 2.382) 2.437 7.848 ( -4.522 0.386 -0.098) 4.539 8.255 ( -5.061 -0.549 2.649) 5.739 8.297 ( -2.134 -0.448 -1.678) 2.751 8.422 ( 3.294 -0.005 0.042) 3.294 8.441 ( 7.119 -0.024 -1.486) 7.272 9.030 ( 1.671 1.620 -0.305) 2.347 9.048 ( 0.552 -0.952 -1.763) 2.079 9.287 ( -0.373 0.366 2.836) 2.884 9.335 ( -1.379 0.264 -1.756) 2.248 9.663 ( -7.841 0.146 10.786) 13.336 9.855 ( -4.617 -0.036 -7.070) 8.444 ======================= Grid point 428 (125/171) ======================= q-point: ( 0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 8.338 3.306 6.254) 10.935 2.168 ( 8.576 -1.147 7.169) 11.237 2.244 ( 1.919 2.085 -4.446) 5.272 2.339 ( 12.747 0.049 -7.668) 14.875 2.756 ( 7.947 0.309 -0.959) 8.010 2.773 ( 5.839 0.600 -2.574) 6.409 3.022 ( -5.297 1.381 2.234) 5.913 3.032 ( -7.900 -0.959 -0.092) 7.959 3.112 ( 2.270 -0.288 14.018) 14.203 3.279 ( -1.369 1.595 -3.344) 3.950 3.605 ( 4.883 -0.280 17.898) 18.554 3.669 ( -2.383 -0.620 3.357) 4.164 3.721 ( -2.595 -3.561 1.008) 4.520 3.834 ( 5.729 1.659 -2.918) 6.640 3.977 ( 8.664 -2.146 9.586) 13.098 4.383 ( 15.233 -0.103 -16.215) 22.248 4.666 ( 23.231 -0.767 -0.105) 23.244 4.740 ( 15.254 -0.129 -12.153) 19.504 6.762 ( 5.583 -0.107 7.565) 9.403 6.889 ( -0.244 0.005 -5.040) 5.046 7.174 ( 0.090 -0.083 0.908) 0.916 7.215 ( 7.510 -0.117 -2.881) 8.044 7.398 ( 4.699 -0.153 2.813) 5.479 7.455 ( 3.011 -0.267 -2.214) 3.747 7.802 ( 0.214 0.537 4.286) 4.324 7.843 ( 2.376 0.507 0.148) 2.434 8.163 ( -4.154 -0.934 4.412) 6.132 8.241 ( -3.141 -0.887 -3.557) 4.828 8.483 ( 2.182 0.090 3.561) 4.177 8.568 ( 5.147 0.118 -4.372) 6.754 9.056 ( 1.649 0.449 0.195) 1.720 9.076 ( 2.622 -0.013 -1.434) 2.988 9.287 ( 0.475 1.382 2.036) 2.506 9.327 ( 0.173 1.241 -1.761) 2.161 9.542 ( -4.360 0.339 12.554) 13.294 9.797 ( -1.323 0.200 -10.228) 10.315 ======================= Grid point 429 (126/171) ======================= q-point: ( 0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -0.572 0.777 2.250) 2.448 2.189 ( -2.547 0.361 -0.504) 2.622 2.351 ( 2.111 2.364 5.713) 6.533 2.485 ( -0.344 1.515 -6.634) 6.813 2.785 ( -6.018 -0.674 2.209) 6.446 2.819 ( -3.771 -0.247 -1.427) 4.040 2.927 ( 0.938 1.207 -0.322) 1.562 2.965 ( 6.064 2.462 -3.989) 7.665 3.192 ( 5.630 2.229 9.983) 11.676 3.252 ( -0.790 1.896 0.692) 2.167 3.636 ( -1.122 -2.694 2.166) 3.634 3.665 ( -0.721 -2.828 3.506) 4.562 3.698 ( 1.544 -2.699 20.629) 20.862 3.958 ( 6.182 0.515 -3.151) 6.958 4.134 ( 6.180 -2.715 8.855) 11.134 4.601 ( 8.488 -0.378 -26.078) 27.427 5.006 ( 11.800 0.916 -0.582) 11.849 5.033 ( 13.804 -0.747 -2.466) 14.043 6.767 ( -3.178 0.087 1.380) 3.466 6.777 ( -8.051 0.278 -0.388) 8.066 7.122 ( -3.623 -0.139 2.047) 4.164 7.186 ( -3.417 -0.095 -3.992) 5.256 7.624 ( 11.317 0.042 4.239) 12.084 7.637 ( 10.218 0.165 2.446) 10.508 7.862 ( 6.437 0.262 1.860) 6.705 7.893 ( 2.778 0.603 -0.794) 2.952 8.114 ( -1.518 -0.927 6.014) 6.271 8.203 ( -0.875 -0.835 -3.060) 3.291 8.497 ( -0.493 -0.004 5.238) 5.261 8.623 ( 0.774 0.142 -6.787) 6.833 9.100 ( 3.190 0.149 2.183) 3.868 9.148 ( 4.348 0.214 -2.206) 4.880 9.281 ( -0.422 1.778 1.712) 2.504 9.310 ( -1.213 1.244 -0.455) 1.796 9.487 ( -1.572 0.839 13.214) 13.333 9.795 ( 0.805 0.366 -13.003) 13.033 ======================= Grid point 430 (127/171) ======================= q-point: ( 0.36 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -8.716 0.011 2.961) 9.205 2.107 ( -6.097 -1.071 -0.230) 6.194 2.276 ( -4.272 1.261 2.999) 5.369 2.340 ( -7.665 1.123 -2.877) 8.264 2.738 ( -0.101 1.692 0.718) 1.841 2.757 ( -1.247 0.726 -1.141) 1.840 2.998 ( 4.862 1.758 2.754) 5.858 3.090 ( 6.525 2.041 -5.313) 8.658 3.208 ( -3.221 0.762 3.913) 5.125 3.262 ( 1.640 1.251 0.800) 2.213 3.664 ( 2.021 -2.689 0.654) 3.427 3.676 ( 0.965 -3.157 0.158) 3.305 3.749 ( 1.874 -1.032 31.058) 31.132 4.047 ( 3.291 1.208 -1.734) 3.911 4.242 ( 3.486 -3.363 7.167) 8.650 4.728 ( 4.593 -0.040 -29.335) 29.693 5.156 ( 4.708 1.113 2.849) 5.614 5.227 ( 6.204 -0.628 -3.743) 7.273 6.629 ( -6.171 0.405 1.882) 6.464 6.690 ( -3.785 0.278 -3.367) 5.074 7.073 ( -1.416 -0.143 2.592) 2.957 7.145 ( -1.039 -0.045 -4.307) 4.431 7.746 ( 2.832 0.131 8.168) 8.646 7.815 ( 7.460 -0.207 6.114) 9.647 7.936 ( 2.060 0.833 -2.750) 3.536 7.983 ( 4.251 0.152 -4.547) 6.227 8.104 ( -0.280 -0.651 9.866) 9.891 8.227 ( 2.859 -0.490 -2.105) 3.584 8.477 ( -1.330 -0.082 5.384) 5.547 8.616 ( -0.882 0.045 -7.986) 8.035 9.161 ( 2.629 0.211 3.221) 4.163 9.221 ( 2.914 0.337 -2.538) 3.879 9.257 ( -0.987 1.196 1.425) 2.106 9.281 ( -1.025 0.497 -0.198) 1.156 9.456 ( -1.393 0.829 14.944) 15.031 9.811 ( 0.820 0.290 -15.025) 15.050 ======================= Grid point 431 (128/171) ======================= q-point: ( 0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -0.026 -0.127 5.857) 5.858 2.033 ( 1.337 0.138 -1.672) 2.145 2.233 ( -0.668 -0.506 1.368) 1.604 2.264 ( -1.004 0.784 -1.537) 1.996 2.722 ( -1.056 0.584 0.422) 1.278 2.738 ( -0.706 0.341 -1.058) 1.317 3.041 ( -1.924 -0.532 4.267) 4.711 3.145 ( -2.019 -0.654 -3.782) 4.337 3.159 ( 0.366 -0.028 3.819) 3.837 3.257 ( -0.282 -0.007 -5.060) 5.068 3.706 ( 1.383 -0.244 1.676) 2.187 3.721 ( 1.802 0.416 0.678) 1.970 3.776 ( 0.829 -0.203 32.971) 32.982 4.075 ( 0.634 1.771 -0.340) 1.911 4.299 ( 0.769 -2.140 5.469) 5.922 4.776 ( 0.506 0.626 -30.465) 30.476 5.190 ( -0.479 0.433 4.768) 4.811 5.288 ( 0.042 -0.437 -4.901) 4.921 6.561 ( -0.394 -0.071 2.671) 2.701 6.647 ( -0.251 -0.001 -4.976) 4.983 7.062 ( 0.082 -0.021 2.749) 2.750 7.137 ( 0.036 0.026 -4.464) 4.464 7.771 ( -0.050 0.023 9.420) 9.420 7.893 ( 0.542 -0.224 7.430) 7.453 7.950 ( -1.008 0.272 -7.009) 7.086 8.019 ( -0.089 -0.059 -5.366) 5.367 8.106 ( 0.488 0.024 14.082) 14.090 8.271 ( 0.198 -0.069 -2.560) 2.569 8.461 ( 0.126 0.035 5.288) 5.289 8.605 ( 0.000 0.010 -8.394) 8.394 9.183 ( -0.309 -0.052 3.425) 3.439 9.225 ( -0.953 0.003 0.166) 0.968 9.262 ( 0.128 0.001 -1.939) 1.943 9.265 ( -0.617 -0.185 -1.200) 1.362 9.433 ( -0.404 0.203 17.412) 17.418 9.817 ( -0.164 0.037 -15.860) 15.861 ======================= Grid point 432 (129/171) ======================= q-point: (-0.50 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 8.409 -0.036 6.401) 10.568 2.135 ( 5.403 1.764 0.308) 5.692 2.250 ( 1.742 -1.041 1.040) 2.280 2.307 ( 8.131 -2.067 -3.753) 9.190 2.702 ( -0.453 -1.480 1.276) 2.006 2.736 ( 0.884 -1.333 -1.826) 2.428 2.958 ( -5.388 -1.844 2.032) 6.046 3.038 ( -8.313 -2.635 -4.624) 9.871 3.198 ( 2.026 -0.180 3.115) 3.721 3.242 ( -2.665 -0.713 0.377) 2.784 3.714 ( -0.126 1.979 5.712) 6.047 3.728 ( -0.189 1.632 10.130) 10.262 3.785 ( 0.433 2.035 17.233) 17.358 4.055 ( -1.838 2.169 -0.730) 2.936 4.284 ( -2.853 0.353 5.176) 5.921 4.740 ( -3.794 1.191 -29.886) 30.149 5.137 ( -5.203 -0.638 4.721) 7.055 5.233 ( -6.001 -0.033 -4.715) 7.631 6.618 ( 5.821 -0.648 2.113) 6.226 6.683 ( 3.644 -0.373 -3.557) 5.106 7.076 ( 1.545 0.143 2.479) 2.924 7.146 ( 1.137 0.082 -4.255) 4.405 7.744 ( -2.987 -0.094 8.131) 8.663 7.821 ( -8.038 0.283 6.451) 10.311 7.916 ( -1.972 -0.988 -2.146) 3.078 7.980 ( -4.510 -0.198 -4.668) 6.493 8.120 ( 1.007 0.819 8.935) 9.029 8.238 ( -2.134 0.498 -2.178) 3.089 8.479 ( 1.352 0.174 5.205) 5.380 8.614 ( 0.709 -0.080 -7.776) 7.809 9.156 ( -2.580 -0.320 3.263) 4.172 9.209 ( -2.095 -1.022 -1.503) 2.774 9.232 ( -1.440 -0.928 0.766) 1.876 9.263 ( -0.497 -1.135 -1.777) 2.166 9.440 ( 0.883 -0.544 16.279) 16.312 9.805 ( -1.103 -0.281 -15.199) 15.241 ======================= Grid point 433 (130/171) ======================= q-point: (-0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -2.262 -2.429 4.070) 5.251 2.184 ( 0.269 -0.090 -1.048) 1.086 2.299 ( -1.068 -2.242 5.903) 6.405 2.450 ( -0.230 -1.657 -7.433) 7.619 2.760 ( 0.988 -3.880 0.504) 4.036 2.779 ( 0.774 -3.618 -1.065) 3.850 2.922 ( -0.222 -0.571 -0.525) 0.807 2.939 ( 6.440 2.047 -1.988) 7.044 3.153 ( -6.146 -1.322 9.203) 11.145 3.222 ( 0.252 -0.804 -0.253) 0.880 3.684 ( -2.180 1.042 16.701) 16.875 3.713 ( 0.163 3.146 6.633) 7.343 3.776 ( 0.135 2.901 4.794) 5.605 3.979 ( -4.736 2.845 -1.384) 5.696 4.185 ( -6.741 1.760 5.672) 8.984 4.618 ( -8.346 1.274 -26.836) 28.132 4.987 ( -11.052 -0.938 1.527) 11.196 5.047 ( -13.505 0.637 -3.495) 13.965 6.764 ( 3.902 -0.226 1.002) 4.035 6.768 ( 8.162 -0.527 -0.096) 8.179 7.126 ( 3.588 0.221 2.090) 4.158 7.189 ( 3.485 0.169 -3.886) 5.223 7.623 ( -11.184 -0.016 4.140) 11.925 7.633 ( -10.039 -0.198 2.589) 10.369 7.854 ( -6.737 -0.388 1.278) 6.868 7.875 ( -2.846 -0.966 -0.590) 3.063 8.141 ( 2.145 1.561 5.932) 6.498 8.226 ( 1.527 1.296 -2.837) 3.473 8.497 ( 0.297 0.039 5.030) 5.039 8.618 ( -0.983 -0.348 -6.441) 6.524 9.097 ( -3.193 -0.149 2.288) 3.931 9.142 ( -4.248 -0.261 -1.902) 4.662 9.230 ( -0.472 -2.944 1.752) 3.458 9.268 ( -0.145 -2.722 -1.722) 3.224 9.468 ( 1.808 -0.859 14.341) 14.480 9.785 ( -0.887 -0.521 -13.298) 13.338 ======================= Grid point 434 (131/171) ======================= q-point: (-0.36 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -10.827 -5.346 6.625) 13.773 2.165 ( -4.381 -4.206 -5.423) 8.142 2.204 ( -6.606 1.713 6.198) 9.219 2.347 ( -7.576 0.845 -6.293) 9.885 2.716 ( -6.400 -4.018 -1.407) 7.687 2.725 ( -4.284 -4.144 -2.139) 6.332 2.998 ( -2.829 -0.623 11.319) 11.684 3.072 ( 6.392 2.810 -0.865) 7.036 3.123 ( 4.972 1.092 5.665) 7.616 3.247 ( 2.827 -1.124 -3.831) 4.892 3.618 ( -4.250 1.021 18.246) 18.762 3.705 ( 0.265 2.406 3.621) 4.356 3.762 ( -1.462 -0.492 2.225) 2.707 3.851 ( -6.000 3.985 -0.356) 7.211 4.019 ( -9.192 1.419 5.475) 10.793 4.386 ( -16.497 0.189 -15.770) 22.823 4.694 ( -21.876 1.848 -1.058) 21.980 4.745 ( -13.087 0.463 -11.281) 17.284 6.766 ( -5.535 0.180 7.355) 9.207 6.888 ( 0.303 -0.036 -4.940) 4.949 7.177 ( 0.140 0.211 1.072) 1.101 7.219 ( -6.841 0.316 -2.854) 7.419 7.403 ( -4.404 0.335 2.975) 5.325 7.465 ( -2.328 0.573 -2.458) 3.434 7.784 ( -1.008 -1.032 4.043) 4.293 7.824 ( -2.667 -1.195 -0.014) 2.922 8.197 ( 4.669 2.169 4.594) 6.900 8.272 ( 3.677 2.020 -3.284) 5.328 8.480 ( -2.340 -0.240 3.590) 4.292 8.563 ( -5.049 -0.389 -4.174) 6.563 9.039 ( -3.515 -1.141 1.443) 3.968 9.077 ( -1.901 0.054 -1.714) 2.561 9.238 ( -0.074 -3.109 2.086) 3.744 9.282 ( 0.250 -2.972 -1.974) 3.577 9.532 ( 4.743 -0.573 12.498) 13.380 9.790 ( 1.580 -0.446 -10.520) 10.647 ======================= Grid point 435 (132/171) ======================= q-point: (-0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -18.372 -2.029 9.693) 20.871 1.968 ( -15.116 -2.436 -9.146) 17.835 2.087 ( -7.500 2.549 8.026) 11.276 2.246 ( -2.823 0.277 -5.545) 6.229 2.606 ( -6.006 -1.110 0.707) 6.149 2.647 ( -5.295 -1.424 -3.067) 6.282 2.945 ( -2.992 -3.319 17.813) 18.365 3.131 ( 1.466 -2.076 -3.212) 4.096 3.171 ( 0.598 2.392 4.292) 4.950 3.313 ( 2.453 0.952 -6.334) 6.859 3.492 ( -9.402 1.489 14.472) 17.322 3.625 ( -9.680 0.657 -1.969) 9.900 3.695 ( -6.922 -2.973 6.078) 9.680 3.745 ( -7.377 -0.350 2.315) 7.740 3.851 ( -7.624 -0.137 3.237) 8.284 3.974 ( -21.682 -0.810 -1.148) 21.728 4.223 ( -21.854 4.542 3.175) 22.546 4.552 ( -5.871 3.267 -26.838) 27.666 6.496 ( -22.168 0.003 2.626) 22.323 6.532 ( -34.287 -0.112 -0.821) 34.297 7.113 ( -1.484 1.076 -0.465) 1.891 7.126 ( -4.183 0.791 -1.518) 4.520 7.484 ( 6.809 0.214 1.831) 7.055 7.536 ( 7.461 0.805 -3.167) 8.146 7.795 ( 0.108 -1.791 2.455) 3.040 7.827 ( 3.809 -1.545 -0.435) 4.133 8.284 ( 4.447 2.022 2.597) 5.533 8.320 ( 0.933 1.609 -1.130) 2.177 8.424 ( -2.154 0.304 0.153) 2.181 8.443 ( -6.393 0.180 -1.428) 6.553 8.979 ( -3.548 -3.240 3.735) 6.086 9.059 ( -0.365 0.033 -3.673) 3.692 9.268 ( 2.211 -1.233 2.752) 3.740 9.321 ( 3.092 -0.987 -2.184) 3.912 9.656 ( 7.733 -0.364 10.848) 13.327 9.857 ( 5.103 0.044 -7.442) 9.023 ======================= Grid point 436 (133/171) ======================= q-point: (-0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -19.560 3.402 12.757) 23.599 1.663 ( -16.119 1.276 -13.472) 21.046 1.877 ( -12.513 4.250 15.223) 20.158 2.159 ( -7.767 1.037 -11.239) 13.701 2.486 ( -7.365 0.740 5.795) 9.401 2.559 ( -3.916 -1.304 -1.924) 4.554 2.901 ( -2.759 -1.356 23.282) 23.484 3.083 ( -23.045 -0.301 5.137) 23.612 3.158 ( -3.707 -2.194 -3.037) 5.270 3.191 ( -7.575 -1.962 0.794) 7.865 3.214 ( -29.675 -2.686 -2.131) 29.872 3.330 ( -0.523 0.633 -11.187) 11.217 3.502 ( -8.898 -2.400 2.799) 9.632 3.522 ( -8.569 -3.027 0.719) 9.116 3.735 ( -3.175 -1.408 17.294) 17.640 3.836 ( -0.377 -0.254 3.004) 3.038 3.996 ( -0.441 4.907 3.742) 6.187 4.459 ( -3.010 4.684 -30.638) 31.140 5.763 ( -42.770 -0.045 6.264) 43.226 5.934 ( -36.221 -0.425 -11.015) 37.862 7.013 ( -6.264 0.374 0.461) 6.292 7.050 ( -5.102 0.674 -2.905) 5.909 7.605 ( 5.482 0.020 3.078) 6.287 7.671 ( 5.881 0.616 -3.245) 6.745 7.844 ( 4.213 -1.854 5.121) 6.886 7.943 ( 6.280 -1.756 -3.923) 7.610 8.253 ( -6.391 0.051 0.399) 6.403 8.262 ( -4.898 -0.335 -0.463) 4.932 8.401 ( 1.300 0.494 1.247) 1.868 8.433 ( 2.448 2.013 -1.496) 3.505 8.948 ( -1.357 -4.039 6.065) 7.412 9.062 ( 0.906 0.164 -4.846) 4.933 9.332 ( 4.064 1.396 3.972) 5.851 9.408 ( 5.646 1.168 -3.170) 6.580 9.826 ( 9.380 -0.926 9.494) 13.378 9.975 ( 6.966 0.692 -4.635) 8.396 ======================= Grid point 437 (134/171) ======================= q-point: (-0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -14.475 8.994 16.173) 23.494 1.370 ( -11.729 4.295 -17.034) 21.123 1.537 ( -20.629 5.264 18.227) 28.027 1.896 ( -17.864 2.589 -15.041) 23.496 2.305 ( -9.593 1.586 21.835) 23.902 2.488 ( -6.670 -0.971 -0.599) 6.767 2.555 ( -20.881 -0.381 1.355) 20.929 2.687 ( -15.532 -3.205 -7.639) 17.603 2.885 ( -0.243 -0.104 22.126) 22.128 3.115 ( -6.152 -1.757 0.134) 6.399 3.127 ( -3.859 -1.999 -0.411) 4.365 3.326 ( 0.525 -0.648 -15.961) 15.983 3.410 ( -2.001 -2.605 3.774) 5.003 3.465 ( -0.975 -4.429 -1.442) 4.758 3.777 ( 7.671 -3.457 19.600) 21.330 3.865 ( 2.516 -0.622 3.369) 4.251 4.014 ( 3.094 3.392 1.004) 4.700 4.308 ( -12.740 2.920 -15.717) 20.442 5.055 ( -25.954 0.960 -6.068) 26.671 5.127 ( -44.562 0.624 -12.749) 46.354 6.911 ( -3.709 -0.180 0.750) 3.789 6.941 ( -5.100 -0.149 -2.050) 5.498 7.688 ( 2.985 -0.156 3.482) 4.589 7.745 ( 2.298 0.353 -1.576) 2.809 7.951 ( 5.170 -1.230 5.041) 7.324 8.043 ( 2.413 -0.673 -2.672) 3.663 8.133 ( -5.436 0.050 1.207) 5.569 8.192 ( -1.906 -1.475 -4.865) 5.429 8.416 ( 0.042 -1.919 2.027) 2.792 8.459 ( 0.939 1.407 -2.015) 2.630 8.967 ( 0.957 -3.731 6.816) 7.829 9.089 ( 1.635 0.209 -4.914) 5.183 9.394 ( 3.173 2.798 5.572) 6.996 9.507 ( 4.872 2.183 -5.003) 7.316 10.015 ( 8.440 -2.984 6.319) 10.958 10.101 ( 6.297 1.227 -2.167) 6.771 ======================= Grid point 438 (135/171) ======================= q-point: (-0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -0.000 10.347 19.368) 21.959 1.217 ( -0.000 3.911 24.029) 24.345 1.230 ( -0.000 4.590 -21.018) 21.514 1.647 ( -0.000 1.821 -17.118) 17.215 2.194 ( -0.000 1.262 29.848) 29.875 2.350 ( 0.000 -0.237 2.147) 2.160 2.389 ( -0.000 0.548 -1.548) 1.642 2.604 ( 0.000 -2.913 -12.528) 12.862 2.888 ( -0.000 0.034 22.999) 22.999 3.038 ( 0.000 -0.421 2.151) 2.192 3.084 ( 0.000 -0.980 -2.171) 2.381 3.342 ( 0.000 -0.827 -17.226) 17.246 3.411 ( 0.000 -2.420 4.779) 5.356 3.484 ( 0.000 -3.940 -2.227) 4.526 3.896 ( 0.000 -2.021 4.852) 5.256 3.988 ( 0.000 -4.346 -2.928) 5.240 4.094 ( -0.000 0.575 2.557) 2.621 4.126 ( -0.000 0.306 -0.518) 0.602 4.406 ( -0.000 4.738 15.550) 16.256 4.853 ( -0.000 2.789 -25.152) 25.306 6.877 ( 0.000 -0.277 0.111) 0.298 6.888 ( 0.000 -0.372 -0.897) 0.971 7.718 ( 0.000 -0.202 3.453) 3.459 7.764 ( -0.000 0.290 -0.512) 0.588 8.030 ( 0.000 -0.791 6.124) 6.175 8.054 ( -0.000 0.198 0.069) 0.210 8.056 ( -0.000 0.197 -0.130) 0.236 8.193 ( 0.000 -1.664 -8.884) 9.038 8.429 ( 0.000 -2.468 1.509) 2.893 8.461 ( -0.000 0.948 -1.613) 1.871 8.999 ( 0.000 -3.231 5.651) 6.510 9.107 ( -0.000 0.250 -4.604) 4.611 9.413 ( -0.000 2.471 6.670) 7.113 9.548 ( -0.000 1.869 -6.062) 6.344 10.120 ( 0.000 -3.185 2.928) 4.326 10.177 ( -0.000 0.451 -2.327) 2.370 ======================= Grid point 441 (136/171) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 3.011 0.000 5.502) 6.272 2.159 ( 14.203 0.000 7.981) 16.292 2.255 ( 0.569 0.000 -4.276) 4.314 2.340 ( 14.124 0.000 -7.819) 16.144 2.757 ( 8.078 0.000 -0.853) 8.123 2.775 ( 6.026 0.000 -2.612) 6.567 3.027 ( -8.223 -0.000 0.035) 8.223 3.030 ( -7.352 -0.000 -0.509) 7.370 3.110 ( 4.612 0.000 16.635) 17.263 3.289 ( -1.187 -0.000 -3.403) 3.604 3.603 ( 5.000 0.000 17.729) 18.421 3.668 ( -3.214 -0.000 5.397) 6.282 3.699 ( -2.153 -0.000 -0.957) 2.356 3.845 ( 4.537 0.000 -5.007) 6.757 3.964 ( 9.016 0.000 11.746) 14.807 4.382 ( 15.096 0.000 -16.281) 22.202 4.662 ( 23.443 0.000 0.036) 23.443 4.739 ( 15.537 0.000 -12.280) 19.804 6.762 ( 5.590 0.000 7.596) 9.432 6.889 ( -0.237 -0.000 -5.058) 5.064 7.174 ( 0.118 0.000 0.886) 0.894 7.214 ( 7.603 0.000 -2.886) 8.132 7.397 ( 4.743 0.000 2.788) 5.502 7.454 ( 3.122 0.000 -2.178) 3.807 7.805 ( 0.078 0.000 4.312) 4.312 7.845 ( 2.347 0.000 0.190) 2.355 8.159 ( -4.075 -0.000 4.374) 5.978 8.236 ( -3.065 -0.000 -3.601) 4.729 8.484 ( 2.161 0.000 3.552) 4.158 8.569 ( 5.158 0.000 -4.393) 6.775 9.058 ( 1.296 0.000 0.041) 1.296 9.076 ( 2.851 0.000 -1.378) 3.167 9.295 ( 0.521 0.000 2.000) 2.067 9.333 ( 0.185 0.000 -1.711) 1.721 9.544 ( -4.289 -0.000 12.530) 13.244 9.798 ( -1.279 -0.000 -10.181) 10.261 ======================= Grid point 442 (137/171) ======================= q-point: ( 0.21 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -0.913 0.208 2.108) 2.307 2.192 ( -3.099 0.153 -0.601) 3.160 2.368 ( 1.927 0.965 5.534) 5.939 2.496 ( -0.906 0.607 -6.312) 6.406 2.778 ( -5.228 -0.432 2.266) 5.714 2.814 ( -4.423 -0.474 -1.481) 4.689 2.939 ( 2.284 0.737 -0.139) 2.404 2.983 ( 6.548 0.925 -4.275) 7.875 3.210 ( 5.603 1.110 10.227) 11.713 3.268 ( -0.963 0.963 1.006) 1.693 3.619 ( -1.733 -0.360 1.123) 2.096 3.632 ( -2.537 -2.732 -0.189) 3.733 3.685 ( 3.399 -0.430 24.630) 24.868 3.965 ( 6.437 0.497 -5.154) 8.261 4.112 ( 5.904 -1.242 11.314) 12.822 4.599 ( 8.588 -0.100 -25.970) 27.353 5.015 ( 11.948 0.690 -1.711) 12.090 5.026 ( 13.888 -0.632 -1.552) 13.989 6.768 ( -3.054 0.027 1.464) 3.387 6.778 ( -7.974 0.094 -0.443) 7.987 7.121 ( -3.637 -0.050 2.036) 4.168 7.186 ( -3.403 -0.033 -4.024) 5.270 7.624 ( 11.349 0.017 4.265) 12.124 7.638 ( 10.274 0.063 2.407) 10.552 7.863 ( 6.349 0.096 2.003) 6.658 7.897 ( 2.767 0.216 -0.823) 2.895 8.108 ( -1.372 -0.327 6.005) 6.168 8.197 ( -0.725 -0.302 -3.097) 3.195 8.497 ( -0.534 -0.001 5.269) 5.296 8.624 ( 0.736 0.046 -6.852) 6.891 9.101 ( 3.185 0.056 2.170) 3.854 9.149 ( 4.353 0.079 -2.266) 4.908 9.293 ( -0.618 0.646 1.586) 1.820 9.318 ( -1.569 0.384 0.123) 1.620 9.493 ( -1.495 0.333 12.739) 12.831 9.797 ( 0.789 0.135 -12.916) 12.941 ======================= Grid point 443 (138/171) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -9.015 0.127 2.022) 9.239 2.098 ( -6.140 -0.680 -0.208) 6.181 2.286 ( -5.084 0.746 3.229) 6.069 2.349 ( -7.452 0.551 -2.636) 7.923 2.752 ( 0.113 1.045 0.420) 1.132 2.763 ( -0.801 0.366 -0.678) 1.112 3.013 ( 4.145 1.013 2.855) 5.134 3.106 ( 5.479 1.093 -5.498) 7.838 3.215 ( -4.141 0.630 4.265) 5.978 3.274 ( 0.672 0.981 1.034) 1.576 3.637 ( 2.664 -2.219 0.559) 3.512 3.650 ( 3.027 -1.787 -0.493) 3.550 3.741 ( 2.148 -0.424 31.050) 31.127 4.063 ( 3.996 1.680 -4.253) 6.073 4.208 ( 3.232 -2.918 10.364) 11.241 4.729 ( 4.911 0.115 -29.417) 29.825 5.167 ( 4.609 0.881 1.670) 4.981 5.220 ( 6.222 -0.621 -2.748) 6.831 6.632 ( -6.289 0.205 1.847) 6.558 6.693 ( -3.821 0.150 -3.311) 5.058 7.072 ( -1.378 -0.086 2.631) 2.971 7.145 ( -1.000 -0.022 -4.348) 4.461 7.747 ( 2.773 0.084 8.176) 8.634 7.814 ( 7.259 -0.111 6.029) 9.437 7.943 ( 2.115 0.476 -2.959) 3.668 7.985 ( 4.139 0.081 -4.542) 6.146 8.099 ( -0.046 -0.364 10.171) 10.177 8.223 ( 3.088 -0.288 -2.045) 3.715 8.476 ( -1.320 -0.038 5.418) 5.577 8.616 ( -0.921 0.023 -8.038) 8.091 9.163 ( 2.625 0.112 3.212) 4.150 9.224 ( 2.965 0.175 -2.646) 3.978 9.267 ( -1.542 0.703 1.281) 2.124 9.284 ( -1.483 0.159 0.649) 1.626 9.463 ( -1.585 0.535 14.277) 14.375 9.813 ( 0.726 0.174 -14.946) 14.964 ======================= Grid point 444 (139/171) ======================= q-point: ( 0.36 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -0.087 -0.130 5.638) 5.640 2.034 ( 2.508 0.119 -2.151) 3.306 2.228 ( -1.544 -0.331 2.238) 2.739 2.272 ( -1.487 0.699 -1.875) 2.493 2.729 ( -1.847 0.877 0.397) 2.083 2.742 ( -1.387 0.327 -0.729) 1.600 3.035 ( -3.466 -0.672 4.137) 5.439 3.137 ( -3.574 -0.876 -3.887) 5.352 3.159 ( 0.647 -0.024 4.009) 4.061 3.257 ( -0.494 -0.010 -5.091) 5.115 3.705 ( 3.026 0.014 1.334) 3.308 3.725 ( 2.701 0.243 1.705) 3.203 3.774 ( 1.415 -0.282 31.867) 31.900 4.100 ( 1.215 2.867 -2.139) 3.778 4.270 ( 1.346 -3.292 7.853) 8.621 4.784 ( 0.920 0.735 -30.868) 30.890 5.196 ( -0.887 0.627 4.080) 4.223 5.283 ( 0.105 -0.627 -4.101) 4.150 6.560 ( -0.711 -0.089 2.738) 2.831 6.647 ( -0.452 -0.001 -4.991) 5.011 7.062 ( 0.150 -0.026 2.762) 2.766 7.137 ( 0.066 0.032 -4.504) 4.504 7.772 ( -0.091 0.029 9.403) 9.403 7.890 ( 0.858 -0.256 6.816) 6.875 7.953 ( -1.713 0.319 -6.287) 6.524 8.018 ( -0.145 -0.080 -5.265) 5.267 8.106 ( 0.879 0.031 13.864) 13.891 8.270 ( 0.356 -0.086 -2.521) 2.547 8.462 ( 0.229 0.043 5.260) 5.265 8.605 ( 0.000 0.012 -8.384) 8.384 9.182 ( -0.590 -0.066 3.457) 3.508 9.225 ( -1.689 0.006 0.092) 1.692 9.262 ( 0.336 -0.012 -1.876) 1.906 9.262 ( -1.201 -0.211 -0.958) 1.550 9.435 ( -0.739 0.246 17.127) 17.144 9.818 ( -0.296 0.045 -15.833) 15.836 ======================= Grid point 445 (140/171) ======================= q-point: (-0.57 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 8.421 -0.192 8.397) 11.894 2.155 ( 4.395 2.100 0.760) 4.930 2.241 ( 1.406 -0.730 -0.273) 1.608 2.285 ( 7.913 -2.090 -4.442) 9.312 2.690 ( -1.243 -0.834 1.268) 1.962 2.721 ( -0.317 -1.508 -1.538) 2.177 2.942 ( -4.585 -1.260 1.394) 4.955 3.014 ( -8.393 -2.140 -4.299) 9.670 3.197 ( 1.860 0.015 2.774) 3.339 3.236 ( -2.858 -0.466 0.333) 2.915 3.728 ( -0.782 0.821 16.769) 16.807 3.745 ( 1.008 1.747 5.012) 5.403 3.801 ( 1.078 1.144 11.453) 11.560 4.084 ( -1.284 3.369 -1.928) 4.088 4.279 ( -2.036 -1.379 6.396) 6.853 4.753 ( -3.529 1.384 -30.574) 30.808 5.133 ( -5.607 -0.272 5.118) 7.596 5.232 ( -5.761 -0.284 -4.504) 7.318 6.611 ( 5.661 -0.578 2.291) 6.134 6.680 ( 3.560 -0.310 -3.658) 5.114 7.078 ( 1.617 0.106 2.426) 2.917 7.147 ( 1.168 0.076 -4.264) 4.422 7.743 ( -3.048 -0.050 8.104) 8.659 7.823 ( -8.294 0.235 6.660) 10.640 7.907 ( -1.959 -0.786 -1.881) 2.827 7.978 ( -4.606 -0.162 -4.762) 6.627 8.128 ( 1.364 0.669 8.471) 8.606 8.243 ( -1.772 0.354 -2.143) 2.803 8.481 ( 1.367 0.176 5.065) 5.250 8.614 ( 0.591 -0.078 -7.642) 7.666 9.152 ( -2.489 -0.308 3.314) 4.156 9.197 ( -1.844 -1.161 -0.489) 2.234 9.225 ( -2.480 -0.430 -0.142) 2.521 9.252 ( -1.299 -1.027 -2.146) 2.710 9.436 ( 0.654 -0.285 16.538) 16.554 9.802 ( -1.238 -0.197 -15.248) 15.299 ======================= Grid point 446 (141/171) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -4.228 -2.529 5.611) 7.467 2.184 ( -1.408 0.107 -2.034) 2.476 2.279 ( 0.341 -1.603 6.040) 6.258 2.435 ( 0.166 -1.247 -7.577) 7.681 2.717 ( -1.747 -4.146 0.042) 4.499 2.739 ( -0.653 -4.038 -1.756) 4.451 2.923 ( 3.882 0.559 1.144) 4.085 2.961 ( 8.187 1.984 -2.557) 8.803 3.142 ( -6.381 -0.806 9.035) 11.091 3.217 ( 0.041 -0.305 -0.672) 0.739 3.692 ( -2.368 0.645 21.345) 21.486 3.743 ( 0.200 2.782 4.047) 4.915 3.797 ( -0.751 1.421 3.353) 3.718 4.014 ( -4.098 3.796 -2.236) 6.017 4.197 ( -6.651 0.551 5.955) 8.944 4.632 ( -8.505 1.459 -27.457) 28.782 4.978 ( -10.823 -0.792 2.559) 11.149 5.053 ( -13.070 0.512 -3.778) 13.614 6.761 ( 6.519 -0.383 0.470) 6.547 6.763 ( 6.027 -0.379 0.412) 6.053 7.128 ( 3.577 0.201 2.107) 4.156 7.191 ( 3.528 0.155 -3.840) 5.217 7.623 ( -11.110 0.016 4.096) 11.841 7.631 ( -9.968 -0.148 2.657) 10.317 7.851 ( -6.869 -0.339 0.947) 6.943 7.866 ( -2.898 -0.877 -0.436) 3.059 8.157 ( 2.521 1.454 5.828) 6.514 8.239 ( 1.932 1.155 -2.650) 3.477 8.498 ( 0.161 0.069 4.829) 4.832 8.614 ( -1.150 -0.399 -6.166) 6.285 9.096 ( -3.187 -0.044 2.444) 4.017 9.140 ( -4.038 -0.160 -1.609) 4.350 9.200 ( -1.053 -2.723 1.524) 3.293 9.239 ( -0.885 -2.784 -2.049) 3.568 9.460 ( 1.854 -0.613 14.562) 14.693 9.780 ( -0.945 -0.440 -13.430) 13.470 ======================= Grid point 447 (142/171) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -10.652 -4.801 6.642) 13.440 2.121 ( -6.857 -4.237 -6.628) 10.436 2.226 ( -4.225 2.376 6.482) 8.094 2.357 ( -5.971 1.035 -5.285) 8.040 2.668 ( -5.843 -5.141 -1.218) 7.877 2.678 ( -3.710 -4.820 -2.000) 6.403 2.993 ( -5.147 -0.343 13.846) 14.776 3.102 ( 5.167 2.861 -1.192) 6.025 3.137 ( 6.964 1.533 3.117) 7.783 3.238 ( 3.731 -0.678 -4.214) 5.669 3.630 ( -3.762 1.280 19.371) 19.774 3.729 ( -0.520 2.057 4.717) 5.172 3.757 ( -3.406 -0.105 0.969) 3.542 3.892 ( -6.180 3.774 -1.075) 7.321 4.029 ( -10.032 0.457 5.202) 11.309 4.388 ( -17.585 0.134 -15.495) 23.438 4.714 ( -21.113 1.907 -1.651) 21.263 4.751 ( -11.482 0.586 -10.708) 15.711 6.767 ( -5.508 0.140 7.217) 9.080 6.888 ( 0.347 -0.048 -4.902) 4.915 7.180 ( 0.326 0.227 1.194) 1.258 7.223 ( -6.359 0.355 -2.845) 6.976 7.407 ( -4.225 0.330 3.074) 5.235 7.470 ( -1.952 0.556 -2.614) 3.309 7.774 ( -1.438 -0.948 3.824) 4.194 7.812 ( -2.925 -1.232 -0.027) 3.174 8.220 ( 4.991 2.238 4.665) 7.189 8.293 ( 4.072 2.089 -3.138) 5.549 8.477 ( -2.471 -0.278 3.569) 4.350 8.558 ( -4.967 -0.515 -3.971) 6.380 9.026 ( -4.728 -1.347 2.601) 5.561 9.078 ( -1.831 0.160 -1.837) 2.598 9.207 ( 0.431 -2.998 1.834) 3.541 9.250 ( 0.759 -3.118 -2.119) 3.846 9.527 ( 4.928 -0.505 12.361) 13.316 9.786 ( 1.713 -0.443 -10.687) 10.833 ======================= Grid point 448 (143/171) ======================= q-point: (-0.36 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -15.581 -1.802 8.733) 17.952 1.939 ( -13.293 -3.194 -10.080) 16.986 2.118 ( -6.422 3.583 8.060) 10.911 2.253 ( -3.671 0.997 -3.592) 5.232 2.584 ( -5.165 -3.258 1.004) 6.189 2.625 ( -4.345 -2.977 -2.888) 6.006 2.915 ( -3.059 -2.353 17.387) 17.810 3.113 ( -0.731 -1.186 -3.423) 3.695 3.199 ( 0.329 2.998 3.588) 4.687 3.322 ( 2.964 0.679 -5.951) 6.683 3.512 ( -9.105 2.524 14.893) 17.637 3.631 ( -10.115 0.646 -0.798) 10.167 3.669 ( -8.305 -1.984 5.326) 10.064 3.739 ( -11.575 -0.731 0.105) 11.599 3.843 ( -8.588 -1.310 3.574) 9.394 3.965 ( -21.309 -1.089 -1.406) 21.383 4.269 ( -19.818 4.391 3.574) 20.611 4.587 ( -4.524 3.514 -25.770) 26.399 6.496 ( -22.381 -0.068 2.528) 22.523 6.531 ( -34.277 -0.184 -0.834) 34.287 7.125 ( -1.627 1.325 -0.481) 2.153 7.135 ( -3.736 0.953 -1.237) 4.049 7.486 ( 6.699 0.237 2.010) 6.998 7.544 ( 7.408 0.754 -3.537) 8.244 7.775 ( -0.235 -1.908 2.464) 3.126 7.810 ( 3.493 -1.730 -0.672) 3.956 8.305 ( 3.525 2.041 2.470) 4.763 8.337 ( -0.500 1.520 -0.724) 1.756 8.429 ( -0.614 0.721 0.098) 0.952 8.446 ( -5.549 0.298 -1.315) 5.710 8.943 ( -4.585 -3.639 6.452) 8.712 9.057 ( -0.615 -0.391 -4.060) 4.125 9.257 ( 3.702 -1.009 2.318) 4.483 9.310 ( 4.409 -1.109 -2.520) 5.198 9.653 ( 7.776 -0.260 10.765) 13.282 9.857 ( 5.421 -0.021 -7.665) 9.388 ======================= Grid point 449 (144/171) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -15.803 4.480 11.040) 19.791 1.676 ( -13.881 1.207 -12.819) 18.933 1.926 ( -11.209 5.299 14.154) 18.816 2.170 ( -6.271 1.227 -8.635) 10.742 2.488 ( -6.599 -0.740 5.235) 8.456 2.546 ( -4.344 -1.220 -1.642) 4.801 2.884 ( -1.831 -1.831 20.869) 21.030 3.067 ( -19.283 -2.825 5.225) 20.177 3.144 ( -6.087 0.455 -4.177) 7.396 3.169 ( -14.978 -2.964 2.529) 15.476 3.195 ( -28.102 -0.948 -1.244) 28.145 3.337 ( -0.723 0.741 -11.206) 11.254 3.473 ( -8.434 -2.983 3.176) 9.493 3.494 ( -8.954 -2.369 0.706) 9.289 3.716 ( -3.981 -2.250 13.675) 14.419 3.832 ( -0.322 -0.528 0.917) 1.107 4.046 ( -1.962 4.695 8.023) 9.500 4.511 ( -2.560 5.308 -29.452) 30.036 5.762 ( -42.569 -0.105 6.055) 42.998 5.929 ( -36.569 -0.696 -10.725) 38.116 7.018 ( -6.607 0.551 0.748) 6.672 7.058 ( -5.486 0.980 -2.992) 6.325 7.606 ( 5.421 0.098 3.200) 6.296 7.678 ( 5.712 0.619 -3.684) 6.825 7.821 ( 4.091 -2.515 5.286) 7.141 7.923 ( 6.206 -2.103 -4.071) 7.714 8.253 ( -6.474 -0.050 0.256) 6.479 8.258 ( -5.402 -0.324 -0.267) 5.418 8.407 ( -0.101 0.565 2.455) 2.521 8.456 ( 2.572 2.422 -1.863) 3.994 8.906 ( -1.182 -4.046 9.552) 10.440 9.060 ( 0.813 -0.487 -5.162) 5.249 9.348 ( 5.432 1.698 3.189) 6.524 9.421 ( 6.734 1.366 -3.529) 7.725 9.818 ( 8.851 -0.602 9.950) 13.330 9.981 ( 7.240 0.595 -5.185) 8.925 ======================= Grid point 450 (145/171) ======================= q-point: (-0.21 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -10.419 11.921 12.940) 20.448 1.422 ( -9.845 5.661 -14.905) 18.738 1.603 ( -19.650 7.459 16.466) 26.700 1.928 ( -17.414 3.760 -13.509) 22.358 2.324 ( -9.163 1.869 19.700) 21.807 2.477 ( -5.481 -1.093 -0.052) 5.589 2.548 ( -20.050 -1.060 1.266) 20.118 2.649 ( -17.243 -4.131 -3.789) 18.131 2.881 ( -0.137 -0.595 20.141) 20.150 3.095 ( -5.206 -2.044 -0.310) 5.601 3.102 ( -3.248 -2.867 0.182) 4.336 3.313 ( -0.913 -2.172 -14.356) 14.548 3.379 ( -2.810 -3.122 1.710) 4.535 3.420 ( -1.361 -3.931 -2.244) 4.726 3.734 ( 4.715 -4.609 16.309) 17.592 3.859 ( 2.651 -0.747 1.216) 3.011 4.048 ( 2.975 3.173 5.727) 7.191 4.342 ( -14.740 3.527 -13.910) 20.572 5.067 ( -27.347 1.358 -6.463) 28.133 5.135 ( -39.741 0.869 -12.337) 41.621 6.909 ( -3.978 -0.236 0.827) 4.070 6.939 ( -5.559 -0.136 -2.058) 5.929 7.686 ( 2.880 -0.117 3.682) 4.676 7.748 ( 2.230 0.297 -1.775) 2.866 7.934 ( 5.332 -2.169 5.074) 7.673 8.033 ( 3.387 -1.251 -3.301) 4.892 8.133 ( -5.446 0.036 0.877) 5.517 8.175 ( -2.944 -1.676 -3.627) 4.963 8.393 ( -1.343 -2.504 4.901) 5.665 8.474 ( 0.428 1.481 -3.119) 3.479 8.929 ( 1.099 -3.442 10.159) 10.783 9.088 ( 1.455 -0.434 -5.111) 5.331 9.428 ( 3.855 3.620 4.597) 7.007 9.534 ( 5.392 2.929 -5.245) 8.073 9.987 ( 7.294 -2.444 8.362) 11.362 10.111 ( 6.100 0.734 -3.385) 7.015 ======================= Grid point 451 (146/171) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -0.000 15.953 14.504) 21.561 1.273 ( -0.000 6.888 22.191) 23.235 1.294 ( -0.000 7.705 -18.656) 20.184 1.673 ( -0.000 3.287 -15.974) 16.309 2.212 ( -0.000 2.296 28.139) 28.233 2.347 ( 0.000 -0.354 2.631) 2.654 2.397 ( -0.000 0.903 -2.074) 2.262 2.562 ( 0.000 -5.033 -8.155) 9.583 2.887 ( 0.000 -0.191 21.162) 21.163 3.032 ( 0.000 -0.808 1.725) 1.905 3.069 ( 0.000 -1.848 -1.817) 2.592 3.326 ( 0.000 -2.838 -15.981) 16.231 3.377 ( 0.000 -3.957 2.854) 4.879 3.436 ( 0.000 -4.738 -3.078) 5.650 3.857 ( 0.000 -5.852 6.207) 8.531 3.942 ( 0.000 -4.134 -1.495) 4.396 4.102 ( -0.000 1.051 2.354) 2.577 4.131 ( -0.000 0.571 -0.354) 0.672 4.463 ( -0.000 6.136 13.535) 14.861 4.892 ( -0.000 4.743 -24.789) 25.238 6.873 ( 0.000 -0.501 0.047) 0.504 6.883 ( 0.000 -0.673 -0.833) 1.070 7.716 ( 0.000 -0.280 3.699) 3.710 7.767 ( -0.000 0.326 -0.782) 0.848 8.017 ( 0.000 -1.794 5.792) 6.063 8.057 ( -0.000 0.358 0.069) 0.364 8.059 ( -0.000 0.351 -0.128) 0.374 8.169 ( 0.000 -2.946 -8.158) 8.674 8.397 ( 0.000 -3.845 4.673) 6.051 8.470 ( -0.000 0.907 -2.907) 3.045 8.962 ( 0.000 -3.716 9.093) 9.823 9.106 ( 0.000 -0.340 -4.940) 4.952 9.447 ( -0.000 3.973 5.679) 6.931 9.574 ( -0.000 3.123 -6.221) 6.961 10.082 ( 0.000 -3.823 5.908) 7.037 10.179 ( -0.000 0.055 -3.121) 3.122 ======================= Grid point 456 (147/171) ======================= q-point: ( 0.21 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -9.241 -0.000 1.669) 9.390 2.094 ( -6.047 -0.000 -0.138) 6.049 2.290 ( -5.361 -0.000 3.262) 6.276 2.351 ( -7.370 -0.000 -2.553) 7.799 2.758 ( 0.276 0.000 0.293) 0.402 2.764 ( -0.612 -0.000 -0.485) 0.781 3.018 ( 3.848 0.000 2.870) 4.800 3.111 ( 5.067 0.000 -5.559) 7.522 3.219 ( -4.611 -0.000 4.425) 6.390 3.280 ( 0.147 0.000 1.134) 1.144 3.625 ( 3.174 0.000 0.705) 3.251 3.641 ( 3.827 0.000 -0.654) 3.882 3.739 ( 2.197 0.000 30.744) 30.823 4.073 ( 4.422 0.000 -6.531) 7.887 4.191 ( 2.947 0.000 12.918) 13.250 4.729 ( 5.028 0.000 -29.476) 29.902 5.172 ( 4.558 0.000 1.044) 4.676 5.217 ( 6.247 0.000 -2.176) 6.615 6.633 ( -6.332 -0.000 1.839) 6.594 6.693 ( -3.833 -0.000 -3.291) 5.052 7.072 ( -1.366 -0.000 2.645) 2.977 7.145 ( -0.985 -0.000 -4.365) 4.475 7.748 ( 2.751 0.000 8.178) 8.628 7.813 ( 7.186 0.000 6.001) 9.363 7.945 ( 2.139 0.000 -3.035) 3.713 7.985 ( 4.093 0.000 -4.547) 6.118 8.097 ( 0.036 0.000 10.282) 10.282 8.222 ( 3.168 0.000 -2.019) 3.757 8.476 ( -1.317 -0.000 5.428) 5.585 8.616 ( -0.933 -0.000 -8.055) 8.109 9.163 ( 2.622 0.000 3.209) 4.144 9.225 ( 2.975 0.000 -2.689) 4.011 9.270 ( -1.734 -0.000 1.176) 2.095 9.285 ( -1.636 -0.000 1.025) 1.931 9.466 ( -1.659 -0.000 14.019) 14.117 9.814 ( 0.693 0.000 -14.914) 14.930 ======================= Grid point 457 (148/171) ======================= q-point: ( 0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -0.148 -0.049 5.465) 5.468 2.035 ( 3.213 0.035 -2.511) 4.078 2.226 ( -2.113 -0.093 2.811) 3.517 2.277 ( -1.672 0.265 -2.050) 2.659 2.737 ( -2.204 0.602 0.249) 2.298 2.743 ( -1.887 -0.045 -0.322) 1.914 3.029 ( -4.330 -0.304 4.011) 5.910 3.130 ( -4.376 -0.409 -3.865) 5.853 3.159 ( 0.792 -0.009 4.075) 4.151 3.257 ( -0.602 -0.005 -5.115) 5.150 3.706 ( 4.078 0.083 1.169) 4.243 3.726 ( 3.085 0.047 2.101) 3.733 3.772 ( 1.654 -0.136 31.336) 31.380 4.127 ( 1.611 1.923 -5.975) 6.480 4.239 ( 1.611 -2.101 12.108) 12.394 4.789 ( 1.153 0.312 -31.177) 31.200 5.201 ( -1.150 0.324 3.390) 3.594 5.277 ( 0.179 -0.323 -3.331) 3.352 6.560 ( -0.889 -0.039 2.792) 2.930 6.647 ( -0.565 -0.000 -5.002) 5.034 7.062 ( 0.189 -0.011 2.772) 2.779 7.138 ( 0.083 0.014 -4.536) 4.536 7.772 ( -0.113 0.013 9.389) 9.390 7.888 ( 0.975 -0.107 6.431) 6.506 7.956 ( -2.061 0.137 -5.813) 6.169 8.017 ( -0.163 -0.038 -5.185) 5.188 8.106 ( 1.096 0.014 13.687) 13.731 8.269 ( 0.442 -0.039 -2.489) 2.528 8.462 ( 0.288 0.019 5.238) 5.246 8.605 ( 0.000 0.005 -8.376) 8.376 9.182 ( -0.769 -0.030 3.484) 3.568 9.225 ( -2.079 0.003 0.028) 2.079 9.260 ( -1.186 -0.097 -0.665) 1.363 9.262 ( 0.123 0.000 -1.937) 1.941 9.437 ( -0.931 0.107 16.913) 16.939 9.818 ( -0.370 0.020 -15.811) 15.815 ======================= Grid point 458 (149/171) ======================= q-point: (-0.64 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 8.427 -0.180 9.782) 12.912 2.177 ( 2.204 2.003 1.579) 3.371 2.233 ( 4.404 -0.926 -1.339) 4.696 2.267 ( 5.997 -1.307 -5.295) 8.106 2.685 ( -2.010 -0.142 1.024) 2.261 2.707 ( -1.486 -1.227 -0.936) 2.142 2.933 ( -3.658 -0.596 0.794) 3.790 2.996 ( -8.168 -1.207 -4.072) 9.206 3.197 ( 1.858 0.060 2.535) 3.144 3.232 ( -3.000 -0.240 0.359) 3.031 3.733 ( -1.137 0.267 22.038) 22.069 3.760 ( 1.771 1.222 1.846) 2.836 3.809 ( 1.270 0.323 9.410) 9.501 4.118 ( -1.185 3.030 -4.707) 5.722 4.260 ( -1.114 -1.950 9.280) 9.548 4.766 ( -3.383 0.911 -31.195) 31.391 5.131 ( -5.982 -0.035 5.171) 7.907 5.229 ( -5.510 -0.275 -4.083) 6.864 6.607 ( 5.551 -0.344 2.441) 6.074 6.677 ( 3.496 -0.177 -3.732) 5.117 7.079 ( 1.671 0.056 2.390) 2.916 7.148 ( 1.184 0.046 -4.282) 4.443 7.743 ( -3.085 -0.018 8.082) 8.651 7.825 ( -8.463 0.133 6.829) 10.875 7.901 ( -1.961 -0.435 -1.708) 2.636 7.976 ( -4.666 -0.091 -4.838) 6.722 8.133 ( 1.616 0.377 8.133) 8.300 8.245 ( -1.514 0.177 -2.089) 2.586 8.483 ( 1.383 0.115 4.942) 5.133 8.613 ( 0.493 -0.050 -7.532) 7.549 9.150 ( -2.376 -0.208 3.380) 4.137 9.187 ( -2.078 -0.704 -0.068) 2.195 9.222 ( -2.773 -0.185 -0.490) 2.822 9.244 ( -1.932 -0.592 -2.337) 3.090 9.434 ( 0.492 -0.109 16.610) 16.618 9.801 ( -1.331 -0.099 -15.270) 15.329 ======================= Grid point 459 (150/171) ======================= q-point: (-0.57 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -5.718 -1.860 6.904) 9.155 2.186 ( -3.323 0.197 -3.285) 4.677 2.266 ( 1.934 -1.001 6.507) 6.862 2.425 ( 0.691 -0.751 -7.561) 7.630 2.680 ( -2.837 -2.901 -0.205) 4.063 2.702 ( -1.790 -3.001 -2.122) 4.088 2.929 ( 6.207 0.613 1.931) 6.529 2.978 ( 9.079 1.320 -2.933) 9.632 3.136 ( -6.548 -0.427 9.012) 11.147 3.215 ( -0.073 -0.068 -0.978) 0.983 3.697 ( -2.264 0.384 23.658) 23.769 3.768 ( 0.071 2.006 2.286) 3.042 3.806 ( -1.200 0.501 3.195) 3.450 4.051 ( -4.145 3.250 -4.143) 6.701 4.198 ( -6.220 -0.328 7.462) 9.720 4.646 ( -8.770 1.159 -28.050) 29.412 4.971 ( -10.714 -0.530 3.403) 11.253 5.058 ( -12.601 0.334 -3.943) 13.207 6.757 ( 8.763 -0.385 0.218) 8.775 6.760 ( 4.182 -0.189 0.657) 4.237 7.130 ( 3.569 0.142 2.114) 4.151 7.192 ( 3.566 0.108 -3.807) 5.217 7.624 ( -11.057 0.031 4.074) 11.784 7.630 ( -9.916 -0.089 2.701) 10.277 7.848 ( -6.965 -0.227 0.671) 7.001 7.858 ( -2.941 -0.618 -0.291) 3.020 8.169 ( 2.840 1.037 5.720) 6.470 8.249 ( 2.285 0.792 -2.455) 3.447 8.499 ( 0.038 0.078 4.598) 4.599 8.610 ( -1.323 -0.339 -5.882) 6.039 9.096 ( -3.201 0.068 2.731) 4.209 9.139 ( -3.537 -0.094 -1.106) 3.707 9.177 ( -1.726 -1.801 0.981) 2.680 9.213 ( -1.539 -2.230 -2.298) 3.553 9.456 ( 1.846 -0.359 14.625) 14.745 9.776 ( -0.998 -0.289 -13.521) 13.561 ======================= Grid point 460 (151/171) ======================= q-point: (-0.50 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -10.264 -3.551 6.603) 12.711 2.083 ( -8.146 -3.232 -7.137) 11.302 2.250 ( -2.457 2.388 6.219) 7.100 2.367 ( -4.866 0.898 -4.138) 6.450 2.617 ( -6.005 -4.666 -0.978) 7.667 2.631 ( -3.567 -4.212 -2.095) 5.904 2.990 ( -6.204 -0.234 15.064) 16.293 3.128 ( 4.186 2.306 -1.529) 5.018 3.152 ( 7.946 1.280 1.811) 8.249 3.233 ( 4.435 -0.432 -4.388) 6.254 3.643 ( -3.113 1.187 21.115) 21.376 3.745 ( -2.086 1.169 5.534) 6.029 3.761 ( -2.891 0.776 -1.147) 3.206 3.926 ( -7.322 2.701 -2.379) 8.159 4.029 ( -10.937 -0.244 5.868) 12.414 4.389 ( -18.688 0.063 -15.265) 24.130 4.732 ( -20.475 1.564 -2.163) 20.648 4.757 ( -9.990 0.557 -10.186) 14.278 6.769 ( -5.489 0.083 7.095) 8.971 6.887 ( 0.388 -0.045 -4.889) 4.905 7.182 ( 0.519 0.192 1.314) 1.425 7.226 ( -5.884 0.316 -2.850) 6.545 7.410 ( -4.074 0.262 3.159) 5.162 7.475 ( -1.664 0.433 -2.748) 3.242 7.766 ( -1.771 -0.704 3.581) 4.057 7.800 ( -3.207 -1.025 0.015) 3.366 8.241 ( 5.282 1.866 4.711) 7.320 8.313 ( 4.495 1.762 -3.044) 5.707 8.474 ( -2.637 -0.258 3.503) 4.392 8.553 ( -4.892 -0.548 -3.701) 6.159 9.013 ( -5.939 -1.302 3.990) 7.272 9.080 ( -2.051 0.271 -1.880) 2.795 9.180 ( 1.205 -2.176 1.261) 2.789 9.220 ( 1.332 -2.727 -2.289) 3.801 9.522 ( 5.066 -0.375 12.220) 13.234 9.782 ( 1.813 -0.353 -10.826) 10.982 ======================= Grid point 461 (152/171) ======================= q-point: (-0.43 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -12.873 -1.265 7.442) 14.923 1.906 ( -11.610 -3.202 -9.974) 15.637 2.159 ( -5.680 4.391 7.343) 10.270 2.266 ( -4.161 1.443 -1.687) 4.716 2.542 ( -4.532 -4.818 1.670) 6.822 2.589 ( -3.379 -3.880 -3.021) 5.966 2.897 ( -3.450 -1.371 17.447) 17.838 3.109 ( -2.193 0.118 -4.167) 4.711 3.228 ( 0.261 2.517 3.225) 4.100 3.326 ( 2.998 0.153 -5.252) 6.049 3.543 ( -8.017 3.444 15.126) 17.462 3.638 ( -9.218 0.627 1.668) 9.389 3.656 ( -11.682 -0.526 2.680) 11.997 3.730 ( -14.484 -0.955 -0.555) 14.526 3.824 ( -9.651 -2.501 3.021) 10.418 3.953 ( -20.973 -1.232 -2.229) 21.127 4.310 ( -18.657 3.533 4.180) 19.443 4.621 ( -3.348 3.063 -24.833) 25.244 6.495 ( -22.622 -0.127 2.425) 22.752 6.529 ( -34.298 -0.220 -0.858) 34.309 7.139 ( -2.147 1.276 -0.511) 2.549 7.145 ( -2.847 0.988 -0.972) 3.166 7.489 ( 6.601 0.208 2.146) 6.944 7.550 ( 7.319 0.565 -3.831) 8.280 7.757 ( -0.750 -1.671 2.419) 3.034 7.793 ( 3.313 -1.602 -0.877) 3.783 8.324 ( 2.170 1.647 2.267) 3.544 8.350 ( -2.286 1.048 -0.329) 2.536 8.438 ( 1.357 1.088 -0.203) 1.751 8.449 ( -4.366 0.386 -1.137) 4.528 8.907 ( -5.367 -3.444 9.417) 11.373 9.052 ( -0.961 -0.611 -4.046) 4.203 9.249 ( 5.109 -0.462 1.492) 5.342 9.299 ( 5.693 -1.119 -2.812) 6.448 9.651 ( 7.913 -0.137 10.608) 13.235 9.856 ( 5.691 -0.072 -7.833) 9.683 ======================= Grid point 462 (153/171) ======================= q-point: (-0.36 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -11.879 4.718 8.670) 15.445 1.686 ( -11.493 0.583 -11.813) 16.491 1.982 ( -9.959 5.664 13.055) 17.369 2.185 ( -4.923 1.726 -5.678) 7.711 2.469 ( -5.776 -2.933 5.582) 8.552 2.533 ( -3.838 -1.553 -2.354) 4.763 2.865 ( -1.213 -1.878 18.898) 19.030 3.039 ( -14.913 -2.167 2.810) 15.330 3.137 ( -22.422 -3.044 1.814) 22.700 3.160 ( -17.033 1.528 -4.057) 17.576 3.189 ( -18.903 0.090 2.210) 19.032 3.345 ( -1.022 0.711 -10.579) 10.652 3.445 ( -9.098 -2.315 3.619) 10.061 3.476 ( -8.720 -1.089 -0.014) 8.788 3.688 ( -4.577 -3.182 12.111) 13.333 3.824 ( -0.599 -1.048 -1.375) 1.830 4.089 ( -3.068 3.773 11.498) 12.484 4.563 ( -2.244 4.871 -28.626) 29.124 5.760 ( -42.290 -0.157 5.765) 42.682 5.920 ( -37.025 -0.880 -10.351) 38.455 7.024 ( -7.005 0.649 1.075) 7.117 7.069 ( -5.899 1.152 -3.143) 6.783 7.607 ( 5.424 0.205 3.273) 6.338 7.683 ( 5.513 0.513 -4.027) 6.846 7.794 ( 3.802 -2.773 5.653) 7.355 7.901 ( 6.049 -2.096 -4.379) 7.756 8.252 ( -6.468 -0.169 0.270) 6.476 8.256 ( -5.815 -0.180 -0.104) 5.818 8.412 ( -1.588 0.526 3.820) 4.170 8.480 ( 2.235 2.134 -2.460) 3.949 8.868 ( -0.361 -3.215 12.759) 13.162 9.053 ( 0.751 -0.838 -4.899) 5.027 9.365 ( 6.687 1.686 2.317) 7.275 9.435 ( 7.906 1.273 -3.910) 8.911 9.814 ( 8.580 -0.144 10.111) 13.262 9.986 ( 7.418 0.402 -5.556) 9.277 ======================= Grid point 463 (154/171) ======================= q-point: (-0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -6.488 12.311 9.257) 16.714 1.479 ( -7.702 5.464 -12.461) 15.635 1.683 ( -18.502 8.140 14.717) 25.003 1.970 ( -16.767 4.366 -11.542) 20.819 2.338 ( -8.076 0.506 17.432) 19.219 2.469 ( -3.979 -0.510 0.113) 4.013 2.533 ( -19.753 -1.790 1.743) 19.911 2.608 ( -18.690 -3.641 -1.479) 19.099 2.872 ( 0.153 -1.198 18.830) 18.869 3.071 ( -2.716 -2.971 0.114) 4.027 3.077 ( -5.004 -1.544 0.231) 5.242 3.278 ( -4.225 -4.349 -7.782) 9.865 3.355 ( -2.656 -1.563 -2.745) 4.127 3.389 ( -1.246 -2.316 -5.610) 6.196 3.687 ( 2.545 -4.722 15.285) 16.198 3.846 ( 1.912 -1.882 -1.845) 3.256 4.078 ( 2.491 2.730 9.753) 10.430 4.377 ( -17.000 3.241 -12.364) 21.269 5.081 ( -30.295 1.385 -6.726) 31.063 5.144 ( -32.608 0.981 -11.943) 34.740 6.906 ( -4.347 -0.221 0.941) 4.453 6.938 ( -6.191 -0.037 -2.117) 6.543 7.686 ( 2.755 0.047 3.915) 4.788 7.750 ( 2.088 0.038 -1.620) 2.643 7.908 ( 5.336 -2.933 5.274) 8.055 8.017 ( 4.296 -1.838 -4.217) 6.294 8.133 ( -5.411 -0.019 0.620) 5.447 8.160 ( -4.024 -1.261 -2.320) 4.813 8.367 ( -2.948 -2.643 8.381) 9.269 8.487 ( -0.156 1.202 -4.089) 4.265 8.901 ( 1.615 -1.974 12.349) 12.609 9.081 ( 1.327 -0.856 -4.716) 4.973 9.465 ( 4.572 3.603 3.728) 6.912 9.564 ( 5.954 3.025 -5.465) 8.630 9.967 ( 6.454 -1.330 9.601) 11.645 10.117 ( 5.766 0.387 -4.137) 7.107 ======================= Grid point 464 (155/171) ======================= q-point: (-0.21 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.000 17.004 9.559) 19.506 1.352 ( -0.000 8.372 19.789) 21.487 1.379 ( -0.000 8.626 -15.599) 17.826 1.711 ( -0.000 4.121 -14.344) 14.925 2.238 ( -0.000 2.534 25.720) 25.845 2.344 ( 0.000 -0.402 3.245) 3.270 2.407 ( -0.000 1.067 -2.775) 2.973 2.507 ( 0.000 -5.492 -3.467) 6.494 2.883 ( 0.000 -0.653 19.692) 19.702 3.022 ( 0.000 -1.134 1.108) 1.585 3.047 ( 0.000 -2.437 -1.283) 2.754 3.275 ( 0.000 -7.012 -8.029) 10.660 3.343 ( 0.000 -2.449 -2.538) 3.527 3.397 ( 0.000 -2.842 -7.475) 7.997 3.785 ( 0.000 -7.797 9.258) 12.104 3.903 ( 0.000 -3.901 -2.680) 4.732 4.115 ( -0.000 1.336 2.065) 2.459 4.138 ( -0.000 0.747 -0.120) 0.757 4.524 ( -0.000 5.625 12.995) 14.160 4.945 ( -0.000 5.455 -24.489) 25.089 6.868 ( 0.000 -0.630 -0.046) 0.632 6.875 ( 0.000 -0.842 -0.741) 1.121 7.713 ( 0.000 -0.224 4.068) 4.074 7.770 ( -0.000 0.098 -0.886) 0.891 7.993 ( 0.000 -2.971 5.709) 6.436 8.061 ( -0.000 0.448 0.065) 0.453 8.063 ( -0.000 0.430 -0.120) 0.446 8.135 ( 0.000 -3.645 -7.472) 8.314 8.354 ( 0.000 -4.436 9.095) 10.119 8.479 ( -0.000 0.773 -4.157) 4.229 8.930 ( 0.000 -2.346 11.561) 11.796 9.100 ( 0.000 -0.834 -4.714) 4.788 9.490 ( -0.000 4.387 4.725) 6.447 9.608 ( -0.000 3.554 -6.342) 7.270 10.048 ( 0.000 -2.864 8.409) 8.883 10.179 ( 0.000 -0.131 -3.727) 3.729 ======================= Grid point 471 (156/171) ======================= q-point: (-0.71 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 8.420 0.000 10.254) 13.269 2.189 ( -0.930 -0.000 2.819) 2.968 2.226 ( 9.271 0.000 -2.681) 9.651 2.260 ( 3.873 0.000 -5.568) 6.783 2.685 ( -2.355 -0.000 0.807) 2.490 2.700 ( -1.933 -0.000 -0.560) 2.012 2.930 ( -3.266 -0.000 0.548) 3.312 2.990 ( -8.032 -0.000 -3.988) 8.968 3.198 ( 1.883 0.000 2.448) 3.088 3.231 ( -3.061 -0.000 0.381) 3.085 3.734 ( -1.198 -0.000 23.251) 23.282 3.767 ( 1.993 0.000 0.907) 2.190 3.810 ( 1.299 0.000 9.157) 9.248 4.136 ( -1.354 -0.000 -7.293) 7.418 4.248 ( -0.576 -0.000 11.913) 11.927 4.770 ( -3.336 -0.000 -31.440) 31.617 5.131 ( -6.142 -0.000 5.126) 8.000 5.227 ( -5.396 -0.000 -3.865) 6.637 6.605 ( 5.512 0.000 2.500) 6.052 6.676 ( 3.471 0.000 -3.760) 5.117 7.079 ( 1.692 0.000 2.376) 2.917 7.148 ( 1.189 0.000 -4.291) 4.452 7.743 ( -3.097 -0.000 8.073) 8.647 7.826 ( -8.521 -0.000 6.894) 10.960 7.899 ( -1.964 -0.000 -1.648) 2.564 7.976 ( -4.686 -0.000 -4.867) 6.756 8.135 ( 1.707 0.000 8.008) 8.188 8.246 ( -1.421 -0.000 -2.062) 2.504 8.483 ( 1.391 0.000 4.892) 5.085 8.613 ( 0.454 0.000 -7.489) 7.503 9.148 ( -2.322 -0.000 3.413) 4.128 9.183 ( -2.221 -0.000 0.017) 2.221 9.221 ( -2.801 -0.000 -0.542) 2.853 9.240 ( -2.189 -0.000 -2.409) 3.255 9.434 ( 0.433 0.000 16.619) 16.625 9.800 ( -1.365 -0.000 -15.277) 15.337 ======================= Grid point 473 (157/171) ======================= q-point: (-0.64 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -6.490 -0.678 7.619) 10.032 2.187 ( -4.776 0.103 -4.273) 6.409 2.259 ( 3.147 -0.355 7.051) 7.730 2.420 ( 1.030 -0.249 -7.506) 7.581 2.660 ( -3.276 -1.030 -0.337) 3.451 2.681 ( -2.287 -1.091 -2.266) 3.399 2.934 ( 7.212 0.237 2.231) 7.553 2.987 ( 9.459 0.455 -3.125) 9.972 3.134 ( -6.635 -0.133 9.031) 11.208 3.215 ( -0.114 -0.003 -1.139) 1.145 3.700 ( -2.173 0.127 24.739) 24.834 3.783 ( 0.019 0.823 0.553) 0.992 3.809 ( -1.363 0.026 4.031) 4.255 4.075 ( -4.530 1.348 -6.352) 7.918 4.193 ( -5.707 -0.339 9.471) 11.063 4.654 ( -8.968 0.438 -28.413) 29.797 4.967 ( -10.683 -0.186 3.882) 11.368 5.060 ( -12.294 0.116 -4.016) 12.934 6.754 ( 9.066 -0.146 0.270) 9.071 6.759 ( 4.107 -0.068 0.607) 4.152 7.131 ( 3.565 0.051 2.115) 4.145 7.193 ( 3.587 0.038 -3.791) 5.219 7.624 ( -11.037 0.016 4.074) 11.765 7.630 ( -9.882 -0.030 2.714) 10.248 7.846 ( -7.037 -0.077 0.506) 7.055 7.854 ( -2.944 -0.226 -0.197) 2.960 8.177 ( 3.026 0.377 5.651) 6.421 8.254 ( 2.495 0.281 -2.325) 3.422 8.499 ( -0.035 0.036 4.434) 4.435 8.608 ( -1.439 -0.137 -5.693) 5.873 9.097 ( -3.242 0.062 3.066) 4.463 9.138 ( -2.780 -0.112 -0.477) 2.823 9.165 ( -2.452 -0.474 0.285) 2.514 9.196 ( -1.978 -0.942 -2.554) 3.365 9.453 ( 1.827 -0.118 14.632) 14.746 9.774 ( -1.029 -0.100 -13.567) 13.607 ======================= Grid point 474 (158/171) ======================= q-point: (-0.57 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -9.916 -1.874 6.549) 12.030 2.057 ( -8.890 -1.734 -7.427) 11.713 2.272 ( -0.841 1.675 5.970) 6.258 2.374 ( -4.257 0.453 -3.013) 5.235 2.578 ( -6.555 -2.743 -0.953) 7.170 2.596 ( -3.722 -2.536 -2.328) 5.070 2.988 ( -6.612 -0.126 15.587) 16.932 3.147 ( 3.136 1.396 -2.035) 3.990 3.162 ( 8.747 0.561 1.441) 8.883 3.229 ( 4.895 -0.232 -4.370) 6.566 3.652 ( -2.526 0.708 22.736) 22.887 3.754 ( -3.510 0.650 4.090) 5.428 3.769 ( -1.761 0.609 -1.212) 2.223 3.947 ( -8.225 1.462 -4.085) 9.300 4.025 ( -11.779 -0.433 7.251) 13.839 4.389 ( -19.497 0.017 -15.116) 24.670 4.744 ( -19.992 0.887 -2.508) 20.168 4.762 ( -9.015 0.334 -9.819) 13.334 6.769 ( -5.478 0.035 7.012) 8.898 6.887 ( 0.416 -0.026 -4.893) 4.911 7.183 ( 0.668 0.110 1.402) 1.557 7.229 ( -5.528 0.189 -2.862) 6.227 7.412 ( -3.978 0.145 3.216) 5.117 7.479 ( -1.493 0.235 -2.836) 3.214 7.760 ( -1.966 -0.368 3.383) 3.930 7.792 ( -3.440 -0.588 0.076) 3.491 8.256 ( 5.493 1.073 4.741) 7.335 8.328 ( 4.853 1.026 -3.012) 5.803 8.472 ( -2.801 -0.158 3.413) 4.418 8.548 ( -4.851 -0.379 -3.438) 5.958 9.001 ( -6.837 -0.831 5.168) 8.610 9.083 ( -2.491 0.240 -1.818) 3.094 9.164 ( 2.040 -0.998 0.584) 2.345 9.197 ( 1.788 -1.727 -2.428) 3.476 9.519 ( 5.151 -0.200 12.122) 13.172 9.779 ( 1.872 -0.195 -10.915) 11.077 ======================= Grid point 475 (159/171) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -10.743 -0.680 6.154) 12.399 1.877 ( -10.550 -2.366 -9.494) 14.389 2.205 ( -5.121 4.680 6.258) 9.343 2.279 ( -4.044 0.932 0.316) 4.162 2.492 ( -4.440 -4.625 2.409) 6.850 2.551 ( -2.820 -3.464 -3.518) 5.686 2.886 ( -3.801 -0.706 17.638) 18.057 3.113 ( -2.864 0.577 -4.974) 5.769 3.249 ( 0.135 1.517 3.242) 3.582 3.326 ( 2.943 -0.107 -4.540) 5.411 3.578 ( -6.064 3.253 16.039) 17.452 3.642 ( -9.014 0.271 3.161) 9.556 3.660 ( -14.495 1.243 0.051) 14.548 3.721 ( -15.939 -0.728 0.135) 15.956 3.793 ( -11.027 -3.403 1.756) 11.673 3.941 ( -20.869 -1.008 -3.371) 21.164 4.339 ( -18.135 2.252 4.756) 18.883 4.648 ( -2.493 2.065 -24.165) 24.381 6.493 ( -22.835 -0.124 2.337) 22.955 6.527 ( -34.339 -0.183 -0.886) 34.351 7.150 ( -3.358 0.807 -0.434) 3.481 7.154 ( -1.289 0.891 -0.885) 1.800 7.491 ( 6.535 0.140 2.230) 6.907 7.555 ( 7.231 0.333 -4.012) 8.276 7.742 ( -1.284 -1.139 2.335) 2.898 7.779 ( 3.243 -1.151 -1.012) 3.587 8.338 ( 0.782 1.049 2.045) 2.428 8.358 ( -3.699 0.527 -0.007) 3.736 8.449 ( 2.562 0.970 -0.676) 2.822 8.453 ( -2.787 0.372 -0.998) 2.984 8.876 ( -5.803 -2.491 12.106) 13.654 9.045 ( -1.254 -0.542 -3.814) 4.051 9.247 ( 6.098 0.056 0.542) 6.122 9.288 ( 6.741 -0.972 -2.985) 7.436 9.650 ( 8.081 -0.053 10.446) 13.207 9.855 ( 5.880 -0.077 -7.935) 9.876 ======================= Grid point 476 (160/171) ======================= q-point: (-0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -8.496 3.967 6.017) 11.141 1.688 ( -9.460 -0.141 -10.517) 14.146 2.039 ( -9.137 5.271 12.170) 16.105 2.206 ( -3.846 2.502 -3.163) 5.573 2.431 ( -5.075 -4.368 6.439) 9.289 2.513 ( -2.823 -2.278 -3.365) 4.948 2.848 ( -1.128 -1.514 17.957) 18.056 3.028 ( -13.802 0.097 0.748) 13.822 3.109 ( -24.744 -2.458 1.556) 24.915 3.157 ( -28.154 -1.569 -2.602) 28.318 3.207 ( -10.209 2.736 2.198) 10.795 3.350 ( -0.893 0.257 -9.527) 9.572 3.431 ( -10.632 -0.335 3.749) 11.279 3.471 ( -8.905 0.152 -0.848) 8.946 3.652 ( -4.534 -3.792 11.925) 13.310 3.811 ( -1.088 -1.417 -3.491) 3.922 4.122 ( -3.759 2.584 14.160) 14.876 4.607 ( -2.067 3.663 -28.167) 28.480 5.759 ( -41.981 -0.161 5.450) 42.334 5.911 ( -37.503 -0.839 -9.965) 38.813 7.030 ( -7.375 0.591 1.377) 7.526 7.081 ( -6.268 1.063 -3.348) 7.185 7.610 ( 5.545 0.304 3.272) 6.445 7.688 ( 5.290 0.375 -4.183) 6.754 7.767 ( 3.423 -2.463 6.117) 7.430 7.881 ( 5.826 -1.748 -4.738) 7.711 8.250 ( -6.527 -0.141 0.450) 6.544 8.255 ( -5.978 -0.086 -0.013) 5.978 8.417 ( -3.025 0.362 5.011) 5.864 8.498 ( 1.661 1.344 -2.995) 3.679 8.842 ( 0.977 -1.887 15.114) 15.263 9.044 ( 0.702 -0.856 -4.339) 4.478 9.381 ( 7.589 1.379 1.553) 7.868 9.446 ( 8.977 0.946 -4.263) 9.983 9.814 ( 8.543 0.148 10.031) 13.176 9.990 ( 7.524 0.217 -5.724) 9.456 ======================= Grid point 477 (161/171) ======================= q-point: (-0.36 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -3.278 10.702 5.430) 12.440 1.529 ( -5.697 4.035 -10.054) 12.240 1.763 ( -17.635 7.316 13.484) 23.374 2.016 ( -16.195 4.566 -9.536) 19.341 2.329 ( -6.677 -2.093 16.257) 17.699 2.465 ( -2.492 -0.492 -0.968) 2.718 2.516 ( -20.506 -1.168 2.802) 20.730 2.577 ( -18.431 -2.347 -1.150) 18.616 2.858 ( 0.532 -1.551 18.004) 18.078 3.044 ( -2.493 -2.303 0.242) 3.403 3.066 ( -5.855 -0.519 0.995) 5.962 3.233 ( -7.214 -4.106 -2.253) 8.601 3.344 ( -2.746 -0.566 -5.134) 5.850 3.371 ( -0.972 -1.198 -9.277) 9.404 3.640 ( 0.979 -4.426 15.055) 15.723 3.823 ( 0.968 -2.602 -4.192) 5.028 4.103 ( 1.944 2.129 12.578) 12.904 4.406 ( -19.007 2.509 -11.254) 22.231 5.094 ( -34.494 1.043 -6.609) 35.137 5.154 ( -24.352 0.980 -11.811) 27.083 6.905 ( -4.757 -0.158 1.067) 4.878 6.938 ( -6.893 0.074 -2.239) 7.248 7.688 ( 2.647 0.362 4.153) 4.938 7.748 ( 1.844 -0.410 -0.619) 1.988 7.877 ( 5.137 -2.975 5.264) 7.934 7.997 ( 4.731 -2.125 -5.150) 7.309 8.133 ( -5.312 -0.099 0.604) 5.347 8.150 ( -4.732 -0.613 -1.330) 4.953 8.342 ( -4.245 -2.236 11.457) 12.421 8.497 ( -0.633 0.723 -4.751) 4.847 8.890 ( 2.322 -0.377 13.044) 13.254 9.071 ( 1.231 -1.020 -3.928) 4.241 9.499 ( 5.196 2.971 3.094) 6.738 9.593 ( 6.450 2.594 -5.629) 8.945 9.959 ( 5.982 -0.323 10.014) 11.669 10.119 ( 5.491 0.171 -4.461) 7.077 ======================= Grid point 478 (162/171) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.000 15.167 5.191) 16.031 1.438 ( -0.000 8.218 17.390) 19.234 1.462 ( -0.000 7.467 -12.417) 14.490 1.754 ( -0.000 4.166 -12.559) 13.231 2.258 ( -0.000 0.982 23.474) 23.495 2.339 ( 0.000 -0.417 3.876) 3.899 2.418 ( -0.000 1.057 -3.548) 3.702 2.459 ( 0.000 -3.428 -0.457) 3.459 2.874 ( 0.000 -1.030 19.100) 19.127 3.008 ( 0.000 -1.584 0.535) 1.672 3.022 ( 0.000 -2.314 -0.762) 2.436 3.199 ( 0.000 -7.389 -2.387) 7.765 3.324 ( 0.000 -1.448 -4.885) 5.095 3.376 ( 0.000 -1.481 -11.947) 12.039 3.706 ( 0.000 -7.503 11.860) 14.034 3.861 ( 0.000 -4.204 -4.267) 5.990 4.129 ( -0.000 1.364 1.750) 2.219 4.146 ( -0.000 0.785 0.137) 0.797 4.575 ( -0.000 4.414 13.506) 14.209 4.999 ( -0.000 5.022 -24.358) 24.870 6.861 ( 0.000 -0.635 -0.148) 0.652 6.866 ( 0.000 -0.846 -0.639) 1.060 7.712 ( 0.000 -0.011 4.605) 4.605 7.769 ( 0.000 -0.321 -0.404) 0.516 7.958 ( 0.000 -3.734 6.114) 7.164 8.066 ( -0.000 0.453 0.054) 0.456 8.068 ( -0.000 0.419 -0.106) 0.432 8.097 ( 0.000 -3.716 -7.076) 7.992 8.311 ( 0.000 -3.776 13.138) 13.670 8.486 ( -0.000 0.508 -5.148) 5.173 8.916 ( 0.000 -0.520 12.286) 12.297 9.090 ( 0.000 -1.087 -4.012) 4.157 9.533 ( -0.000 3.957 4.007) 5.631 9.644 ( -0.000 3.293 -6.358) 7.160 10.026 ( 0.000 -1.357 9.699) 9.793 10.177 ( 0.000 -0.170 -4.050) 4.054 ======================= Grid point 487 (163/171) ======================= q-point: (-0.64 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -9.777 -0.000 6.524) 11.754 2.048 ( -9.140 -0.000 -7.523) 11.838 2.281 ( -0.052 -0.000 5.868) 5.868 2.376 ( -4.138 -0.000 -2.478) 4.823 2.564 ( -6.858 -0.000 -1.021) 6.934 2.583 ( -3.847 -0.000 -2.460) 4.566 2.988 ( -6.717 -0.000 15.735) 17.108 3.155 ( 1.794 0.000 -2.726) 3.264 3.164 ( 9.952 0.000 1.839) 10.121 3.228 ( 5.066 0.000 -4.327) 6.662 3.656 ( -2.291 -0.000 23.388) 23.500 3.758 ( -3.876 -0.000 3.296) 5.088 3.772 ( -1.425 -0.000 -1.063) 1.777 3.954 ( -8.495 -0.000 -5.114) 9.916 4.023 ( -12.187 -0.000 8.184) 14.680 4.389 ( -19.792 -0.000 -15.065) 24.873 4.749 ( -19.803 -0.000 -2.619) 19.975 4.763 ( -8.688 -0.000 -9.697) 13.020 6.769 ( -5.475 -0.000 6.983) 8.873 6.887 ( 0.426 0.000 -4.897) 4.915 7.184 ( 0.725 0.000 1.435) 1.608 7.230 ( -5.394 -0.000 -2.868) 6.109 7.413 ( -3.945 -0.000 3.236) 5.103 7.480 ( -1.438 -0.000 -2.867) 3.207 7.758 ( -2.027 -0.000 3.306) 3.877 7.789 ( -3.534 -0.000 0.104) 3.535 8.262 ( 5.573 0.000 4.752) 7.324 8.333 ( 5.001 0.000 -3.009) 5.836 8.471 ( -2.874 -0.000 3.367) 4.427 8.546 ( -4.842 -0.000 -3.322) 5.872 8.997 ( -7.163 -0.000 5.629) 9.110 9.084 ( -2.752 -0.000 -1.757) 3.265 9.159 ( 2.447 0.000 0.272) 2.462 9.187 ( 1.952 0.000 -2.488) 3.162 9.518 ( 5.180 0.000 12.088) 13.151 9.778 ( 1.891 0.000 -10.947) 11.109 ======================= Grid point 489 (164/171) ======================= q-point: (-0.57 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -9.568 -0.202 5.330) 10.954 1.860 ( -10.089 -0.874 -9.126) 13.632 2.250 ( -5.272 3.725 4.927) 8.121 2.279 ( -3.083 -1.191 2.459) 4.120 2.457 ( -4.780 -2.013 2.822) 5.904 2.524 ( -2.613 -1.473 -4.141) 5.113 2.882 ( -3.994 -0.221 17.784) 18.228 3.118 ( -3.057 0.279 -5.492) 6.292 3.259 ( -0.035 0.484 3.404) 3.439 3.324 ( 2.956 -0.073 -4.158) 5.102 3.602 ( -4.628 1.207 17.058) 17.715 3.645 ( -10.750 0.253 2.025) 10.942 3.675 ( -13.799 1.260 -0.776) 13.878 3.719 ( -16.343 0.321 3.979) 16.824 3.760 ( -12.635 -2.690 -1.409) 12.994 3.933 ( -20.928 -0.395 -4.254) 21.360 4.355 ( -17.964 0.769 5.105) 18.691 4.662 ( -2.046 0.727 -23.823) 23.922 6.492 ( -22.960 -0.051 2.287) 23.074 6.525 ( -34.372 -0.071 -0.904) 34.384 7.155 ( -3.732 0.268 -0.313) 3.755 7.161 ( -0.700 0.366 -0.928) 1.219 7.492 ( 6.506 0.049 2.268) 6.890 7.557 ( 7.179 0.108 -4.091) 8.264 7.735 ( -1.633 -0.404 2.267) 2.823 7.771 ( 3.232 -0.422 -1.071) 3.431 8.345 ( -0.078 0.364 1.894) 1.930 8.361 ( -4.388 0.147 0.177) 4.394 8.455 ( -1.853 0.187 -0.655) 1.974 8.457 ( 3.147 0.351 -1.338) 3.437 8.858 ( -5.961 -0.910 13.764) 15.027 9.041 ( -1.414 -0.215 -3.618) 3.891 9.249 ( 6.525 0.157 -0.090) 6.527 9.281 ( 7.390 -0.450 -3.048) 8.007 9.650 ( 8.194 -0.012 10.345) 13.197 9.855 ( 5.974 -0.032 -7.980) 9.968 ======================= Grid point 490 (165/171) ======================= q-point: (-0.50 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -6.203 2.297 3.809) 7.633 1.685 ( -8.164 -0.367 -9.349) 12.418 2.085 ( -8.910 3.526 11.747) 15.160 2.234 ( -2.800 2.632 -1.913) 4.293 2.386 ( -4.739 -4.041 7.712) 9.913 2.491 ( -2.067 -1.889 -4.383) 5.201 2.835 ( -1.314 -0.855 17.721) 17.790 3.038 ( -12.423 1.489 -1.097) 12.560 3.087 ( -25.876 -1.949 1.823) 26.013 3.140 ( -30.142 -1.472 -1.768) 30.230 3.231 ( -10.246 1.639 2.140) 10.594 3.350 ( -0.360 -0.109 -8.887) 8.895 3.438 ( -13.311 1.433 2.818) 13.681 3.476 ( -9.164 0.472 -1.123) 9.245 3.615 ( -3.575 -3.184 12.814) 13.679 3.798 ( -1.510 -1.102 -5.073) 5.407 4.142 ( -4.116 1.306 15.853) 16.431 4.636 ( -1.986 1.956 -27.963) 28.101 5.757 ( -41.731 -0.102 5.202) 42.054 5.904 ( -37.873 -0.516 -9.669) 39.091 7.035 ( -7.637 0.355 1.591) 7.809 7.090 ( -6.526 0.650 -3.541) 7.453 7.613 ( 5.771 0.271 3.199) 6.604 7.691 ( 5.005 0.196 -4.100) 6.473 7.746 ( 3.153 -1.489 6.440) 7.324 7.867 ( 5.610 -1.024 -5.011) 7.592 8.249 ( -6.650 -0.046 0.623) 6.679 8.254 ( -5.947 -0.047 0.055) 5.947 8.420 ( -4.132 0.164 5.831) 7.148 8.507 ( 1.197 0.543 -3.237) 3.494 8.829 ( 2.227 -0.715 16.338) 16.505 9.037 ( 0.649 -0.548 -3.811) 3.904 9.392 ( 8.077 0.792 1.049) 8.183 9.454 ( 9.760 0.489 -4.528) 10.771 9.816 ( 8.610 0.169 9.877) 13.104 9.991 ( 7.576 0.084 -5.762) 9.519 ======================= Grid point 491 (166/171) ======================= q-point: (-0.43 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -0.938 7.419 1.834) 7.700 1.560 ( -4.147 2.170 -7.968) 9.241 1.827 ( -17.413 5.118 12.975) 22.310 2.061 ( -16.186 4.264 -8.196) 18.637 2.299 ( -5.768 -3.488 16.545) 17.865 2.456 ( -2.285 -1.125 -2.061) 3.276 2.510 ( -20.038 -0.297 2.915) 20.251 2.561 ( -16.889 -0.957 -1.615) 16.993 2.843 ( 0.868 -1.341 17.387) 17.460 3.026 ( -2.306 -1.247 -0.637) 2.698 3.066 ( -7.401 0.422 2.804) 7.926 3.198 ( -9.266 -2.774 1.092) 9.734 3.342 ( -3.048 0.124 -6.280) 6.982 3.362 ( -0.869 -0.716 -11.254) 11.310 3.599 ( 0.056 -3.377 15.043) 15.417 3.797 ( 0.223 -2.316 -5.641) 6.102 4.121 ( 1.516 1.366 14.276) 14.421 4.427 ( -20.436 1.575 -10.551) 23.053 5.102 ( -38.104 0.565 -6.173) 38.605 5.164 ( -17.592 0.769 -11.969) 21.292 6.903 ( -5.115 -0.085 1.172) 5.248 6.939 ( -7.513 0.114 -2.390) 7.884 7.694 ( 2.649 0.795 4.214) 5.041 7.741 ( 1.476 -1.030 1.698) 2.474 7.851 ( 4.889 -2.006 4.311) 6.820 7.976 ( 4.743 -1.777 -5.822) 7.717 8.131 ( -5.197 -0.100 0.824) 5.263 8.147 ( -5.036 -0.177 -0.860) 5.112 8.323 ( -4.984 -1.457 13.452) 14.420 8.502 ( -0.908 0.311 -5.093) 5.183 8.891 ( 2.918 0.474 12.808) 13.144 9.061 ( 1.138 -0.888 -3.043) 3.368 9.524 ( 5.643 1.937 2.701) 6.549 9.616 ( 6.823 1.752 -5.747) 9.091 9.959 ( 5.799 0.164 9.944) 11.513 10.120 ( 5.311 0.046 -4.500) 6.961 ======================= Grid point 492 (167/171) ======================= q-point: (-0.36 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -0.000 11.527 1.375) 11.609 1.514 ( -0.000 6.538 15.408) 16.738 1.526 ( -0.000 4.961 -9.430) 10.655 1.793 ( -0.000 3.391 -10.964) 11.476 2.255 ( 0.000 -1.411 22.376) 22.420 2.335 ( 0.000 -0.372 4.428) 4.443 2.428 ( -0.000 0.867 -4.286) 4.373 2.441 ( 0.000 -0.322 -0.065) 0.329 2.864 ( 0.000 -0.840 19.189) 19.208 2.988 ( 0.000 -2.163 0.652) 2.259 3.004 ( 0.000 -1.237 -0.868) 1.511 3.132 ( 0.000 -5.574 1.197) 5.701 3.314 ( 0.000 -0.536 -6.230) 6.253 3.364 ( 0.000 -0.906 -14.182) 14.211 3.637 ( 0.000 -5.910 13.530) 14.764 3.820 ( 0.000 -3.780 -5.537) 6.704 4.141 ( -0.000 1.113 1.473) 1.846 4.153 ( -0.000 0.656 0.365) 0.751 4.613 ( -0.000 2.976 14.405) 14.710 5.044 ( -0.000 3.765 -24.352) 24.642 6.855 ( 0.000 -0.513 -0.240) 0.566 6.858 ( 0.000 -0.682 -0.548) 0.874 7.713 ( -0.000 0.403 5.363) 5.378 7.763 ( 0.000 -0.912 1.082) 1.415 7.921 ( 0.000 -3.268 6.233) 7.037 8.062 ( 0.000 -3.133 -6.967) 7.639 8.070 ( -0.000 0.372 0.036) 0.374 8.071 ( -0.000 0.323 -0.085) 0.334 8.279 ( 0.000 -2.454 15.505) 15.698 8.489 ( -0.000 0.243 -5.797) 5.802 8.917 ( -0.000 0.675 11.865) 11.884 9.079 ( 0.000 -1.109 -3.037) 3.233 9.568 ( -0.000 2.936 3.538) 4.597 9.674 ( -0.000 2.530 -6.300) 6.789 10.019 ( 0.000 -0.245 9.995) 9.998 10.175 ( 0.000 -0.161 -4.094) 4.097 ======================= Grid point 503 (168/171) ======================= q-point: (-0.57 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -5.387 -0.000 2.926) 6.130 1.682 ( -7.734 -0.000 -8.871) 11.769 2.104 ( -8.970 -0.000 11.701) 14.744 2.250 ( -2.076 -0.000 -2.139) 2.981 2.362 ( -4.868 -0.000 8.896) 10.141 2.480 ( -1.803 -0.000 -4.899) 5.220 2.831 ( -1.425 -0.000 17.711) 17.769 3.050 ( -7.647 -0.000 -3.300) 8.328 3.073 ( -29.999 -0.000 3.402) 30.192 3.132 ( -31.256 -0.000 -1.542) 31.294 3.239 ( -10.227 -0.000 2.356) 10.495 3.349 ( -0.108 -0.000 -8.790) 8.791 3.449 ( -15.454 -0.000 1.626) 15.539 3.478 ( -8.912 -0.000 -0.897) 8.957 3.597 ( -2.561 -0.000 13.733) 13.970 3.792 ( -1.667 -0.000 -5.688) 5.927 4.148 ( -4.222 -0.000 16.435) 16.969 4.646 ( -1.963 -0.000 -27.908) 27.977 5.757 ( -41.633 -0.000 5.108) 41.945 5.902 ( -38.013 -0.000 -9.558) 39.196 7.037 ( -7.732 -0.000 1.669) 7.910 7.093 ( -6.619 -0.000 -3.622) 7.545 7.614 ( 5.908 0.000 3.142) 6.691 7.692 ( 4.810 0.000 -3.960) 6.231 7.738 ( 3.099 0.000 6.501) 7.202 7.862 ( 5.517 0.000 -5.110) 7.520 8.249 ( -6.715 -0.000 0.689) 6.750 8.254 ( -5.905 -0.000 0.085) 5.905 8.420 ( -4.559 -0.000 6.128) 7.638 8.510 ( 1.041 0.000 -3.275) 3.437 8.826 ( 2.729 0.000 16.669) 16.891 9.034 ( 0.621 0.000 -3.596) 3.650 9.396 ( 8.220 0.000 0.876) 8.267 9.456 ( 10.055 0.000 -4.630) 11.069 9.817 ( 8.650 0.000 9.806) 13.076 9.991 ( 7.591 0.000 -5.761) 9.530 ======================= Grid point 505 (169/171) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.368 2.702 -0.574) 2.787 1.574 ( -3.306 0.618 -6.689) 7.487 1.863 ( -17.637 1.842 13.008) 21.992 2.096 ( -17.011 2.170 -8.438) 19.113 2.268 ( -4.737 -2.021 17.886) 18.613 2.447 ( -1.747 -0.541 -2.585) 3.166 2.508 ( -20.034 -0.185 2.655) 20.210 2.556 ( -15.546 -0.148 -1.954) 15.669 2.833 ( 1.052 -0.533 17.003) 17.044 3.018 ( -2.078 -0.361 -1.660) 2.684 3.071 ( -8.554 0.425 4.294) 9.581 3.178 ( -10.448 -1.045 2.842) 10.878 3.346 ( -3.622 0.389 -6.680) 7.609 3.356 ( -0.530 -0.477 -12.177) 12.197 3.575 ( -0.286 -1.302 15.062) 15.121 3.779 ( -0.158 -0.940 -6.343) 6.415 4.130 ( 1.287 0.472 15.063) 15.125 4.438 ( -21.162 0.537 -10.211) 23.503 5.106 ( -39.859 0.167 -5.801) 40.279 5.169 ( -14.131 0.295 -12.157) 18.643 6.903 ( -5.324 -0.026 1.232) 5.465 6.940 ( -7.880 0.054 -2.497) 8.266 7.703 ( 3.051 0.843 3.464) 4.693 7.729 ( 0.848 -1.024 4.716) 4.899 7.837 ( 4.731 -0.628 2.990) 5.632 7.963 ( 4.641 -0.707 -6.158) 7.744 8.131 ( -5.129 -0.033 1.016) 5.229 8.146 ( -5.125 -0.027 -0.718) 5.175 8.312 ( -5.270 -0.503 14.356) 15.301 8.504 ( -1.015 0.076 -5.222) 5.321 8.896 ( 3.249 0.320 12.435) 12.856 9.054 ( 1.061 -0.370 -2.446) 2.691 9.538 ( 5.871 0.671 2.520) 6.424 9.628 ( 7.028 0.620 -5.816) 9.143 9.961 ( 5.760 0.126 9.787) 11.357 10.121 ( 5.220 0.002 -4.447) 6.858 ======================= Grid point 506 (170/171) ======================= q-point: (-0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -0.000 6.512 -1.682) 6.725 1.562 ( -0.000 2.119 -7.034) 7.346 1.566 ( -0.000 3.626 14.111) 14.569 1.820 ( -0.000 1.909 -9.864) 10.047 2.238 ( 0.000 -1.529 22.506) 22.558 2.332 ( 0.000 -0.228 4.809) 4.815 2.435 ( -0.000 0.496 -4.844) 4.870 2.444 ( -0.000 0.505 -1.269) 1.366 2.859 ( 0.000 -0.228 19.394) 19.395 2.969 ( 0.000 -1.387 1.133) 1.791 2.995 ( 0.000 -0.621 -1.293) 1.435 3.088 ( 0.000 -3.002 3.816) 4.855 3.312 ( -0.000 0.049 -7.269) 7.269 3.357 ( 0.000 -0.573 -14.949) 14.960 3.589 ( 0.000 -3.273 14.330) 14.699 3.788 ( 0.000 -2.287 -6.343) 6.742 4.150 ( -0.000 0.625 1.284) 1.428 4.158 ( -0.000 0.374 0.521) 0.642 4.636 ( -0.000 1.488 15.171) 15.244 5.074 ( -0.000 2.002 -24.389) 24.471 6.851 ( 0.000 -0.286 -0.303) 0.416 6.853 ( 0.000 -0.380 -0.485) 0.616 7.720 ( -0.000 0.957 6.276) 6.349 7.750 ( 0.000 -1.445 3.125) 3.443 7.896 ( 0.000 -1.707 5.342) 5.608 8.036 ( 0.000 -1.847 -7.017) 7.256 8.073 ( -0.000 0.220 0.012) 0.220 8.074 ( -0.000 0.164 -0.058) 0.174 8.261 ( 0.000 -1.151 16.457) 16.498 8.491 ( -0.000 0.079 -6.145) 6.145 8.926 ( -0.000 0.791 11.172) 11.200 9.069 ( 0.000 -0.770 -2.149) 2.283 9.592 ( -0.000 1.552 3.288) 3.636 9.694 ( -0.000 1.384 -6.246) 6.397 10.019 ( -0.000 0.137 9.859) 9.860 10.174 ( 0.000 -0.108 -3.991) 3.993 ======================= Grid point 520 (171/171) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -0.000 0.000 -3.071) 3.071 1.572 ( -0.000 0.000 -5.946) 5.946 1.585 ( -0.000 0.000 13.660) 13.660 1.830 ( -0.000 0.000 -9.473) 9.473 2.229 ( -0.000 0.000 22.787) 22.787 2.331 ( -0.000 0.000 4.947) 4.947 2.438 ( -0.000 0.000 -5.056) 5.056 2.447 ( -0.000 0.000 -1.970) 1.970 2.858 ( -0.000 0.000 19.424) 19.424 2.962 ( -0.000 0.000 1.345) 1.345 2.991 ( -0.000 0.000 -1.473) 1.473 3.072 ( -0.000 0.000 4.852) 4.852 3.312 ( -0.000 0.000 -7.648) 7.648 3.353 ( -0.000 0.000 -15.093) 15.093 3.572 ( -0.000 0.000 14.530) 14.530 3.776 ( -0.000 0.000 -6.622) 6.622 4.154 ( -0.000 0.000 1.217) 1.217 4.160 ( -0.000 0.000 0.576) 0.576 4.643 ( -0.000 0.001 15.467) 15.467 5.084 ( -0.000 0.000 -24.409) 24.409 6.849 ( -0.000 0.000 -0.326) 0.326 6.851 ( -0.000 0.000 -0.462) 0.462 7.730 ( 0.000 -0.001 8.212) 8.212 7.738 ( -0.000 0.001 2.634) 2.634 7.887 ( -0.000 0.000 4.693) 4.693 8.026 ( -0.000 0.000 -7.064) 7.064 8.074 ( -0.000 0.000 -0.006) 0.006 8.075 ( -0.000 0.000 -0.038) 0.038 8.255 ( -0.000 0.000 16.686) 16.686 8.491 ( -0.000 0.000 -6.253) 6.253 8.930 ( -0.000 0.000 10.856) 10.856 9.065 ( -0.000 0.000 -1.781) 1.781 9.599 ( -0.000 0.000 3.212) 3.212 9.701 ( -0.000 0.000 -6.227) 6.227 10.019 ( -0.000 0.000 9.756) 9.756 10.173 ( -0.000 0.000 -3.928) 3.928 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/35280 10.0 314.022 579.203 234.474 0.000 0.000 -0.000 3/35280 20.0 101.099 62.046 74.532 0.000 0.000 -0.000 3/35280 30.0 49.854 18.951 36.872 0.000 0.000 -0.000 3/35280 40.0 33.579 9.728 25.083 0.000 0.000 -0.000 3/35280 50.0 25.570 6.363 19.196 0.000 0.000 -0.000 3/35280 60.0 20.560 4.700 15.433 0.000 0.000 -0.000 3/35280 70.0 17.094 3.722 12.800 0.000 0.000 -0.000 3/35280 80.0 14.572 3.082 10.878 0.000 0.000 -0.000 3/35280 90.0 12.672 2.632 9.434 0.000 0.000 -0.000 3/35280 100.0 11.200 2.299 8.319 0.000 0.000 -0.000 3/35280 110.0 10.032 2.044 7.438 0.000 0.000 -0.000 3/35280 120.0 9.086 1.841 6.726 0.000 0.000 -0.000 3/35280 130.0 8.304 1.676 6.141 0.000 0.000 -0.000 3/35280 140.0 7.648 1.539 5.652 0.000 0.000 -0.000 3/35280 150.0 7.091 1.424 5.236 0.000 0.000 -0.000 3/35280 160.0 6.610 1.326 4.880 0.000 0.000 -0.000 3/35280 170.0 6.192 1.240 4.570 0.000 0.000 -0.000 3/35280 180.0 5.826 1.166 4.298 0.000 0.000 -0.000 3/35280 190.0 5.501 1.100 4.058 0.000 0.000 -0.000 3/35280 200.0 5.211 1.041 3.843 0.000 0.000 -0.000 3/35280 210.0 4.951 0.989 3.651 0.000 0.000 -0.000 3/35280 220.0 4.716 0.941 3.478 0.000 0.000 -0.000 3/35280 230.0 4.503 0.898 3.321 0.000 0.000 -0.000 3/35280 240.0 4.309 0.859 3.177 0.000 0.000 -0.000 3/35280 250.0 4.131 0.824 3.046 0.000 0.000 -0.000 3/35280 260.0 3.967 0.791 2.926 0.000 0.000 -0.000 3/35280 270.0 3.816 0.761 2.815 0.000 0.000 -0.000 3/35280 280.0 3.677 0.733 2.712 0.000 0.000 -0.000 3/35280 290.0 3.547 0.707 2.616 0.000 0.000 -0.000 3/35280 300.0 3.426 0.683 2.527 0.000 0.000 -0.000 3/35280 310.0 3.314 0.660 2.444 0.000 0.000 -0.000 3/35280 320.0 3.209 0.639 2.367 0.000 0.000 -0.000 3/35280 330.0 3.110 0.619 2.294 0.000 0.000 -0.000 3/35280 340.0 3.017 0.601 2.226 0.000 0.000 -0.000 3/35280 350.0 2.930 0.583 2.161 0.000 0.000 -0.000 3/35280 360.0 2.847 0.567 2.100 0.000 0.000 -0.000 3/35280 370.0 2.769 0.551 2.043 0.000 0.000 -0.000 3/35280 380.0 2.696 0.536 1.989 0.000 0.000 -0.000 3/35280 390.0 2.626 0.522 1.937 0.000 0.000 -0.000 3/35280 400.0 2.560 0.509 1.889 0.000 0.000 -0.000 3/35280 410.0 2.497 0.497 1.842 0.000 0.000 -0.000 3/35280 420.0 2.437 0.485 1.798 0.000 0.000 -0.000 3/35280 430.0 2.380 0.473 1.756 0.000 0.000 -0.000 3/35280 440.0 2.325 0.462 1.716 0.000 0.000 -0.000 3/35280 450.0 2.273 0.452 1.678 0.000 0.000 -0.000 3/35280 460.0 2.224 0.442 1.641 0.000 0.000 -0.000 3/35280 470.0 2.176 0.433 1.606 0.000 0.000 -0.000 3/35280 480.0 2.131 0.424 1.572 0.000 0.000 -0.000 3/35280 490.0 2.087 0.415 1.540 0.000 0.000 -0.000 3/35280 500.0 2.045 0.407 1.509 0.000 0.000 -0.000 3/35280 510.0 2.005 0.399 1.480 0.000 0.000 -0.000 3/35280 520.0 1.966 0.391 1.451 0.000 0.000 -0.000 3/35280 530.0 1.929 0.383 1.424 0.000 0.000 -0.000 3/35280 540.0 1.893 0.376 1.397 0.000 0.000 -0.000 3/35280 550.0 1.859 0.369 1.372 0.000 0.000 -0.000 3/35280 560.0 1.825 0.363 1.347 0.000 0.000 -0.000 3/35280 570.0 1.793 0.356 1.324 0.000 0.000 -0.000 3/35280 580.0 1.762 0.350 1.301 0.000 0.000 -0.000 3/35280 590.0 1.732 0.344 1.279 0.000 0.000 -0.000 3/35280 600.0 1.703 0.338 1.257 0.000 0.000 -0.000 3/35280 610.0 1.675 0.333 1.237 0.000 0.000 -0.000 3/35280 620.0 1.648 0.327 1.217 0.000 0.000 -0.000 3/35280 630.0 1.622 0.322 1.198 0.000 0.000 -0.000 3/35280 640.0 1.597 0.317 1.179 0.000 0.000 -0.000 3/35280 650.0 1.572 0.312 1.161 0.000 0.000 -0.000 3/35280 660.0 1.548 0.308 1.143 0.000 0.000 -0.000 3/35280 670.0 1.525 0.303 1.126 0.000 0.000 -0.000 3/35280 680.0 1.503 0.299 1.110 0.000 0.000 -0.000 3/35280 690.0 1.481 0.294 1.093 0.000 0.000 -0.000 3/35280 700.0 1.460 0.290 1.078 0.000 0.000 -0.000 3/35280 710.0 1.439 0.286 1.063 0.000 0.000 -0.000 3/35280 720.0 1.419 0.282 1.048 0.000 0.000 -0.000 3/35280 730.0 1.400 0.278 1.034 0.000 0.000 -0.000 3/35280 740.0 1.381 0.274 1.020 0.000 0.000 -0.000 3/35280 750.0 1.363 0.271 1.006 0.000 0.000 -0.000 3/35280 760.0 1.345 0.267 0.993 0.000 0.000 -0.000 3/35280 770.0 1.327 0.264 0.980 0.000 0.000 -0.000 3/35280 780.0 1.310 0.260 0.967 0.000 0.000 -0.000 3/35280 790.0 1.294 0.257 0.955 0.000 0.000 -0.000 3/35280 800.0 1.277 0.254 0.943 0.000 0.000 -0.000 3/35280 810.0 1.262 0.251 0.932 0.000 0.000 -0.000 3/35280 820.0 1.246 0.247 0.920 0.000 0.000 -0.000 3/35280 830.0 1.231 0.244 0.909 0.000 0.000 -0.000 3/35280 840.0 1.217 0.242 0.898 0.000 0.000 -0.000 3/35280 850.0 1.202 0.239 0.888 0.000 0.000 -0.000 3/35280 860.0 1.188 0.236 0.878 0.000 0.000 -0.000 3/35280 870.0 1.175 0.233 0.867 0.000 0.000 -0.000 3/35280 880.0 1.161 0.231 0.858 0.000 0.000 -0.000 3/35280 890.0 1.148 0.228 0.848 0.000 0.000 -0.000 3/35280 900.0 1.136 0.225 0.839 0.000 0.000 -0.000 3/35280 910.0 1.123 0.223 0.829 0.000 0.000 -0.000 3/35280 920.0 1.111 0.221 0.820 0.000 0.000 -0.000 3/35280 930.0 1.099 0.218 0.812 0.000 0.000 -0.000 3/35280 940.0 1.087 0.216 0.803 0.000 0.000 -0.000 3/35280 950.0 1.076 0.214 0.795 0.000 0.000 -0.000 3/35280 960.0 1.065 0.211 0.786 0.000 0.000 -0.000 3/35280 970.0 1.054 0.209 0.778 0.000 0.000 -0.000 3/35280 980.0 1.043 0.207 0.770 0.000 0.000 -0.000 3/35280 990.0 1.033 0.205 0.762 0.000 0.000 -0.000 3/35280 1000.0 1.022 0.203 0.755 0.000 0.000 -0.000 3/35280 Thermal conductivity related properties were written into "kappa-m14145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:20:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|