----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:50:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.544505030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.503967019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.889136360000000 Atomic positions (fractional): *1 O 0.72837275348618 0.61803907707533 0.08134985452278 15.999 2 O 0.22837275348618 0.88196092292467 0.91865014547722 15.999 3 O 0.77162724651382 0.88196092292467 0.58134985452278 15.999 4 O 0.27162724651382 0.61803907707533 0.41865014547722 15.999 5 O 0.72837275348618 0.38196092292467 0.58134985452278 15.999 6 O 0.22837275348618 0.11803907707533 0.41865014547722 15.999 7 O 0.77162724651382 0.11803907707533 0.08134985452278 15.999 8 O 0.27162724651382 0.38196092292467 0.91865014547722 15.999 *9 Ti 0.50000000000000 0.67476365999300 0.75000000000000 47.867 10 Ti 0.00000000000000 0.82523634000700 0.25000000000000 47.867 11 Ti 0.50000000000000 0.32523634000700 0.25000000000000 47.867 12 Ti 0.00000000000000 0.17476365999300 0.75000000000000 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.544505030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.503967019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.889136360000000 Atomic positions (fractional): *1 O 0.72837275348618 0.61803907707533 0.08134985452278 15.999 > 1 2 O 0.22837275348618 0.88196092292467 0.91865014547722 15.999 > 2 3 O 0.77162724651382 0.88196092292467 0.58134985452278 15.999 > 3 4 O 0.27162724651382 0.61803907707533 0.41865014547722 15.999 > 4 5 O 0.72837275348618 0.38196092292467 0.58134985452278 15.999 > 5 6 O 0.22837275348618 0.11803907707533 0.41865014547722 15.999 > 6 7 O 0.77162724651382 0.11803907707533 0.08134985452278 15.999 > 7 8 O 0.27162724651382 0.38196092292467 0.91865014547722 15.999 > 8 *9 Ti 0.50000000000000 0.67476365999300 0.75000000000000 47.867 > 9 10 Ti 0.00000000000000 0.82523634000700 0.25000000000000 47.867 > 10 11 Ti 0.50000000000000 0.32523634000700 0.25000000000000 47.867 > 11 12 Ti 0.00000000000000 0.17476365999300 0.75000000000000 47.867 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.633515090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.007934039999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.778272720000000 Atomic positions (fractional): *1 O 0.24279091782873 0.30901953853767 0.04067492726139 15.999 > 1 2 O 0.57612425116206 0.30901953853767 0.04067492726139 15.999 > 1 3 O 0.90945758449539 0.30901953853767 0.04067492726139 15.999 > 1 4 O 0.24279091782873 0.80901953853767 0.04067492726139 15.999 > 1 5 O 0.57612425116206 0.80901953853767 0.04067492726139 15.999 > 1 6 O 0.90945758449539 0.80901953853767 0.04067492726139 15.999 > 1 7 O 0.24279091782873 0.30901953853767 0.54067492726139 15.999 > 1 8 O 0.57612425116206 0.30901953853767 0.54067492726139 15.999 > 1 9 O 0.90945758449539 0.30901953853767 0.54067492726139 15.999 > 1 10 O 0.24279091782873 0.80901953853767 0.54067492726139 15.999 > 1 11 O 0.57612425116206 0.80901953853767 0.54067492726139 15.999 > 1 12 O 0.90945758449539 0.80901953853767 0.54067492726139 15.999 > 1 13 O 0.07612425116206 0.44098046146233 0.45932507273861 15.999 > 2 14 O 0.40945758449539 0.44098046146233 0.45932507273861 15.999 > 2 15 O 0.74279091782873 0.44098046146233 0.45932507273861 15.999 > 2 16 O 0.07612425116206 0.94098046146233 0.45932507273861 15.999 > 2 17 O 0.40945758449539 0.94098046146233 0.45932507273861 15.999 > 2 18 O 0.74279091782873 0.94098046146233 0.45932507273861 15.999 > 2 19 O 0.07612425116206 0.44098046146233 0.95932507273861 15.999 > 2 20 O 0.40945758449539 0.44098046146233 0.95932507273861 15.999 > 2 21 O 0.74279091782873 0.44098046146233 0.95932507273861 15.999 > 2 22 O 0.07612425116206 0.94098046146233 0.95932507273861 15.999 > 2 23 O 0.40945758449539 0.94098046146233 0.95932507273861 15.999 > 2 24 O 0.74279091782873 0.94098046146233 0.95932507273861 15.999 > 2 25 O 0.25720908217127 0.44098046146233 0.29067492726139 15.999 > 3 26 O 0.59054241550461 0.44098046146233 0.29067492726139 15.999 > 3 27 O 0.92387574883794 0.44098046146233 0.29067492726139 15.999 > 3 28 O 0.25720908217127 0.94098046146233 0.29067492726139 15.999 > 3 29 O 0.59054241550461 0.94098046146233 0.29067492726139 15.999 > 3 30 O 0.92387574883794 0.94098046146233 0.29067492726139 15.999 > 3 31 O 0.25720908217127 0.44098046146233 0.79067492726139 15.999 > 3 32 O 0.59054241550461 0.44098046146233 0.79067492726139 15.999 > 3 33 O 0.92387574883794 0.44098046146233 0.79067492726139 15.999 > 3 34 O 0.25720908217127 0.94098046146233 0.79067492726139 15.999 > 3 35 O 0.59054241550461 0.94098046146233 0.79067492726139 15.999 > 3 36 O 0.92387574883794 0.94098046146233 0.79067492726139 15.999 > 3 37 O 0.09054241550461 0.30901953853767 0.20932507273861 15.999 > 4 38 O 0.42387574883794 0.30901953853767 0.20932507273861 15.999 > 4 39 O 0.75720908217127 0.30901953853767 0.20932507273861 15.999 > 4 40 O 0.09054241550461 0.80901953853767 0.20932507273861 15.999 > 4 41 O 0.42387574883794 0.80901953853767 0.20932507273861 15.999 > 4 42 O 0.75720908217127 0.80901953853767 0.20932507273861 15.999 > 4 43 O 0.09054241550461 0.30901953853767 0.70932507273861 15.999 > 4 44 O 0.42387574883794 0.30901953853767 0.70932507273861 15.999 > 4 45 O 0.75720908217127 0.30901953853767 0.70932507273861 15.999 > 4 46 O 0.09054241550461 0.80901953853767 0.70932507273861 15.999 > 4 47 O 0.42387574883794 0.80901953853767 0.70932507273861 15.999 > 4 48 O 0.75720908217127 0.80901953853767 0.70932507273861 15.999 > 4 49 O 0.24279091782873 0.19098046146233 0.29067492726139 15.999 > 5 50 O 0.57612425116206 0.19098046146233 0.29067492726139 15.999 > 5 51 O 0.90945758449539 0.19098046146233 0.29067492726139 15.999 > 5 52 O 0.24279091782873 0.69098046146233 0.29067492726139 15.999 > 5 53 O 0.57612425116206 0.69098046146233 0.29067492726139 15.999 > 5 54 O 0.90945758449539 0.69098046146233 0.29067492726139 15.999 > 5 55 O 0.24279091782873 0.19098046146233 0.79067492726139 15.999 > 5 56 O 0.57612425116206 0.19098046146233 0.79067492726139 15.999 > 5 57 O 0.90945758449539 0.19098046146233 0.79067492726139 15.999 > 5 58 O 0.24279091782873 0.69098046146233 0.79067492726139 15.999 > 5 59 O 0.57612425116206 0.69098046146233 0.79067492726139 15.999 > 5 60 O 0.90945758449539 0.69098046146233 0.79067492726139 15.999 > 5 61 O 0.07612425116206 0.05901953853766 0.20932507273861 15.999 > 6 62 O 0.40945758449539 0.05901953853766 0.20932507273861 15.999 > 6 63 O 0.74279091782873 0.05901953853766 0.20932507273861 15.999 > 6 64 O 0.07612425116206 0.55901953853766 0.20932507273861 15.999 > 6 65 O 0.40945758449539 0.55901953853766 0.20932507273861 15.999 > 6 66 O 0.74279091782873 0.55901953853766 0.20932507273861 15.999 > 6 67 O 0.07612425116206 0.05901953853766 0.70932507273861 15.999 > 6 68 O 0.40945758449539 0.05901953853766 0.70932507273861 15.999 > 6 69 O 0.74279091782873 0.05901953853766 0.70932507273861 15.999 > 6 70 O 0.07612425116206 0.55901953853766 0.70932507273861 15.999 > 6 71 O 0.40945758449539 0.55901953853766 0.70932507273861 15.999 > 6 72 O 0.74279091782873 0.55901953853766 0.70932507273861 15.999 > 6 73 O 0.25720908217127 0.05901953853766 0.04067492726139 15.999 > 7 74 O 0.59054241550461 0.05901953853766 0.04067492726139 15.999 > 7 75 O 0.92387574883794 0.05901953853766 0.04067492726139 15.999 > 7 76 O 0.25720908217127 0.55901953853766 0.04067492726139 15.999 > 7 77 O 0.59054241550461 0.55901953853766 0.04067492726139 15.999 > 7 78 O 0.92387574883794 0.55901953853766 0.04067492726139 15.999 > 7 79 O 0.25720908217127 0.05901953853766 0.54067492726139 15.999 > 7 80 O 0.59054241550461 0.05901953853766 0.54067492726139 15.999 > 7 81 O 0.92387574883794 0.05901953853766 0.54067492726139 15.999 > 7 82 O 0.25720908217127 0.55901953853766 0.54067492726139 15.999 > 7 83 O 0.59054241550461 0.55901953853766 0.54067492726139 15.999 > 7 84 O 0.92387574883794 0.55901953853766 0.54067492726139 15.999 > 7 85 O 0.09054241550461 0.19098046146233 0.45932507273861 15.999 > 8 86 O 0.42387574883794 0.19098046146233 0.45932507273861 15.999 > 8 87 O 0.75720908217127 0.19098046146233 0.45932507273861 15.999 > 8 88 O 0.09054241550461 0.69098046146233 0.45932507273861 15.999 > 8 89 O 0.42387574883794 0.69098046146233 0.45932507273861 15.999 > 8 90 O 0.75720908217127 0.69098046146233 0.45932507273861 15.999 > 8 91 O 0.09054241550461 0.19098046146233 0.95932507273861 15.999 > 8 92 O 0.42387574883794 0.19098046146233 0.95932507273861 15.999 > 8 93 O 0.75720908217127 0.19098046146233 0.95932507273861 15.999 > 8 94 O 0.09054241550461 0.69098046146233 0.95932507273861 15.999 > 8 95 O 0.42387574883794 0.69098046146233 0.95932507273861 15.999 > 8 96 O 0.75720908217127 0.69098046146233 0.95932507273861 15.999 > 8 *97 Ti 0.16666666666667 0.33738182999650 0.37500000000000 47.867 > 9 98 Ti 0.50000000000000 0.33738182999650 0.37500000000000 47.867 > 9 99 Ti 0.83333333333333 0.33738182999650 0.37500000000000 47.867 > 9 100 Ti 0.16666666666667 0.83738182999650 0.37500000000000 47.867 > 9 101 Ti 0.50000000000000 0.83738182999650 0.37500000000000 47.867 > 9 102 Ti 0.83333333333333 0.83738182999650 0.37500000000000 47.867 > 9 103 Ti 0.16666666666667 0.33738182999650 0.87500000000000 47.867 > 9 104 Ti 0.50000000000000 0.33738182999650 0.87500000000000 47.867 > 9 105 Ti 0.83333333333333 0.33738182999650 0.87500000000000 47.867 > 9 106 Ti 0.16666666666667 0.83738182999650 0.87500000000000 47.867 > 9 107 Ti 0.50000000000000 0.83738182999650 0.87500000000000 47.867 > 9 108 Ti 0.83333333333333 0.83738182999650 0.87500000000000 47.867 > 9 109 Ti 0.00000000000000 0.41261817000350 0.12500000000000 47.867 > 10 110 Ti 0.33333333333333 0.41261817000350 0.12500000000000 47.867 > 10 111 Ti 0.66666666666667 0.41261817000350 0.12500000000000 47.867 > 10 112 Ti 0.00000000000000 0.91261817000350 0.12500000000000 47.867 > 10 113 Ti 0.33333333333333 0.91261817000350 0.12500000000000 47.867 > 10 114 Ti 0.66666666666667 0.91261817000350 0.12500000000000 47.867 > 10 115 Ti 0.00000000000000 0.41261817000350 0.62500000000000 47.867 > 10 116 Ti 0.33333333333333 0.41261817000350 0.62500000000000 47.867 > 10 117 Ti 0.66666666666667 0.41261817000350 0.62500000000000 47.867 > 10 118 Ti 0.00000000000000 0.91261817000350 0.62500000000000 47.867 > 10 119 Ti 0.33333333333333 0.91261817000350 0.62500000000000 47.867 > 10 120 Ti 0.66666666666667 0.91261817000350 0.62500000000000 47.867 > 10 121 Ti 0.16666666666667 0.16261817000350 0.12500000000000 47.867 > 11 122 Ti 0.50000000000000 0.16261817000350 0.12500000000000 47.867 > 11 123 Ti 0.83333333333333 0.16261817000350 0.12500000000000 47.867 > 11 124 Ti 0.16666666666667 0.66261817000350 0.12500000000000 47.867 > 11 125 Ti 0.50000000000000 0.66261817000350 0.12500000000000 47.867 > 11 126 Ti 0.83333333333333 0.66261817000350 0.12500000000000 47.867 > 11 127 Ti 0.16666666666667 0.16261817000350 0.62500000000000 47.867 > 11 128 Ti 0.50000000000000 0.16261817000350 0.62500000000000 47.867 > 11 129 Ti 0.83333333333333 0.16261817000350 0.62500000000000 47.867 > 11 130 Ti 0.16666666666667 0.66261817000350 0.62500000000000 47.867 > 11 131 Ti 0.50000000000000 0.66261817000350 0.62500000000000 47.867 > 11 132 Ti 0.83333333333333 0.66261817000350 0.62500000000000 47.867 > 11 133 Ti 0.00000000000000 0.08738182999650 0.37500000000000 47.867 > 12 134 Ti 0.33333333333333 0.08738182999650 0.37500000000000 47.867 > 12 135 Ti 0.66666666666667 0.08738182999650 0.37500000000000 47.867 > 12 136 Ti 0.00000000000000 0.58738182999650 0.37500000000000 47.867 > 12 137 Ti 0.33333333333333 0.58738182999650 0.37500000000000 47.867 > 12 138 Ti 0.66666666666667 0.58738182999650 0.37500000000000 47.867 > 12 139 Ti 0.00000000000000 0.08738182999650 0.87500000000000 47.867 > 12 140 Ti 0.33333333333333 0.08738182999650 0.87500000000000 47.867 > 12 141 Ti 0.66666666666667 0.08738182999650 0.87500000000000 47.867 > 12 142 Ti 0.00000000000000 0.58738182999650 0.87500000000000 47.867 > 12 143 Ti 0.33333333333333 0.58738182999650 0.87500000000000 47.867 > 12 144 Ti 0.66666666666667 0.58738182999650 0.87500000000000 47.867 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3127384 0.0000000 0.0000000 0.0000000 6.7163162 0.0000000 0.0000000 0.0000000 7.8021211 -------------------------- Born effective charges -------------------------- 1 O -3.4274625 -1.5366943 -1.6131090 -1.2711169 -2.7393708 -0.0799596 -1.3910635 -0.0086163 -3.3163915 2 O -3.4274625 1.5366943 1.6131090 1.2711169 -2.7393708 -0.0799596 1.3910635 -0.0086163 -3.3163915 3 O -3.4274625 -1.5366943 1.6131090 -1.2711169 -2.7393708 0.0799596 1.3910635 0.0086163 -3.3163915 4 O -3.4274625 1.5366943 -1.6131090 1.2711169 -2.7393708 0.0799596 -1.3910635 0.0086163 -3.3163915 5 O -3.4274625 1.5366943 -1.6131090 1.2711169 -2.7393708 0.0799596 -1.3910635 0.0086163 -3.3163915 6 O -3.4274625 -1.5366943 1.6131090 -1.2711169 -2.7393708 0.0799596 1.3910635 0.0086163 -3.3163915 7 O -3.4274625 1.5366943 1.6131090 1.2711169 -2.7393708 -0.0799596 1.3910635 -0.0086163 -3.3163915 8 O -3.4274625 -1.5366943 -1.6131090 -1.2711169 -2.7393708 -0.0799596 -1.3910635 -0.0086163 -3.3163915 9 Ti 6.8549250 0.0000000 -0.3483158 0.0000000 5.4787417 0.0000000 -0.1418483 0.0000000 6.6327830 10 Ti 6.8549250 0.0000000 0.3483158 0.0000000 5.4787417 0.0000000 0.1418483 0.0000000 6.6327830 11 Ti 6.8549250 0.0000000 -0.3483158 0.0000000 5.4787417 0.0000000 -0.1418483 0.0000000 6.6327830 12 Ti 6.8549250 0.0000000 0.3483158 0.0000000 5.4787417 0.0000000 0.1418483 0.0000000 6.6327830 ---------------------------------------------------------------------------- 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: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1046 Number of blocks in projector: 1046 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: 220 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 134 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 134 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 134 Use standard eigh solver. Tree of FC basis block matrices: - (1046, 1032), data: False |-- (134, 132), data: True |-- (134, 132), data: True |-- (134, 132), data: True |-- (212, 210), data: True |-- (212, 210), data: True |-- (220, 216), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 240 - Time: 1.557 Solver_block: 200 / 240 - Time: 1.534 Solver_block: 240 / 240 - Time: 0.671 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.078 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1046 Number of blocks in projector: 1046 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: 220 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 134 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 134 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 134 Use standard eigh solver. Tree of FC basis block matrices: - (1046, 1032), data: False |-- (134, 132), data: True |-- (134, 132), data: True |-- (134, 132), data: True |-- (212, 210), data: True |-- (212, 210), data: True |-- (220, 216), 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 18:50:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:50:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.544505030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.503967019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.889136360000000 Atomic positions (fractional): 1 O 0.72837275348618 0.61803907707533 0.08134985452278 15.999 2 O 0.22837275348618 0.88196092292467 0.91865014547722 15.999 3 O 0.77162724651382 0.88196092292467 0.58134985452278 15.999 4 O 0.27162724651382 0.61803907707533 0.41865014547722 15.999 5 O 0.72837275348618 0.38196092292467 0.58134985452278 15.999 6 O 0.22837275348618 0.11803907707533 0.41865014547722 15.999 7 O 0.77162724651382 0.11803907707533 0.08134985452278 15.999 8 O 0.27162724651382 0.38196092292467 0.91865014547722 15.999 9 Ti 0.50000000000000 0.67476365999300 0.75000000000000 47.867 10 Ti 0.00000000000000 0.82523634000700 0.25000000000000 47.867 11 Ti 0.50000000000000 0.32523634000700 0.25000000000000 47.867 12 Ti 0.00000000000000 0.17476365999300 0.75000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.633515090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.007934039999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.778272720000000 Atomic positions (fractional): 1 O 0.24279091782873 0.30901953853767 0.04067492726139 15.999 > 1 2 O 0.57612425116206 0.30901953853767 0.04067492726139 15.999 > 1 3 O 0.90945758449539 0.30901953853767 0.04067492726139 15.999 > 1 4 O 0.24279091782873 0.80901953853767 0.04067492726139 15.999 > 1 5 O 0.57612425116206 0.80901953853767 0.04067492726139 15.999 > 1 6 O 0.90945758449539 0.80901953853767 0.04067492726139 15.999 > 1 7 O 0.24279091782873 0.30901953853767 0.54067492726139 15.999 > 1 8 O 0.57612425116206 0.30901953853767 0.54067492726139 15.999 > 1 9 O 0.90945758449539 0.30901953853767 0.54067492726139 15.999 > 1 10 O 0.24279091782873 0.80901953853767 0.54067492726139 15.999 > 1 11 O 0.57612425116206 0.80901953853767 0.54067492726139 15.999 > 1 12 O 0.90945758449539 0.80901953853767 0.54067492726139 15.999 > 1 13 O 0.07612425116206 0.44098046146233 0.45932507273861 15.999 > 13 14 O 0.40945758449539 0.44098046146233 0.45932507273861 15.999 > 13 15 O 0.74279091782873 0.44098046146233 0.45932507273861 15.999 > 13 16 O 0.07612425116206 0.94098046146233 0.45932507273861 15.999 > 13 17 O 0.40945758449539 0.94098046146233 0.45932507273861 15.999 > 13 18 O 0.74279091782873 0.94098046146233 0.45932507273861 15.999 > 13 19 O 0.07612425116206 0.44098046146233 0.95932507273861 15.999 > 13 20 O 0.40945758449539 0.44098046146233 0.95932507273861 15.999 > 13 21 O 0.74279091782873 0.44098046146233 0.95932507273861 15.999 > 13 22 O 0.07612425116206 0.94098046146233 0.95932507273861 15.999 > 13 23 O 0.40945758449539 0.94098046146233 0.95932507273861 15.999 > 13 24 O 0.74279091782873 0.94098046146233 0.95932507273861 15.999 > 13 25 O 0.25720908217127 0.44098046146233 0.29067492726139 15.999 > 25 26 O 0.59054241550461 0.44098046146233 0.29067492726139 15.999 > 25 27 O 0.92387574883794 0.44098046146233 0.29067492726139 15.999 > 25 28 O 0.25720908217127 0.94098046146233 0.29067492726139 15.999 > 25 29 O 0.59054241550461 0.94098046146233 0.29067492726139 15.999 > 25 30 O 0.92387574883794 0.94098046146233 0.29067492726139 15.999 > 25 31 O 0.25720908217127 0.44098046146233 0.79067492726139 15.999 > 25 32 O 0.59054241550461 0.44098046146233 0.79067492726139 15.999 > 25 33 O 0.92387574883794 0.44098046146233 0.79067492726139 15.999 > 25 34 O 0.25720908217127 0.94098046146233 0.79067492726139 15.999 > 25 35 O 0.59054241550461 0.94098046146233 0.79067492726139 15.999 > 25 36 O 0.92387574883794 0.94098046146233 0.79067492726139 15.999 > 25 37 O 0.09054241550461 0.30901953853767 0.20932507273861 15.999 > 37 38 O 0.42387574883794 0.30901953853767 0.20932507273861 15.999 > 37 39 O 0.75720908217127 0.30901953853767 0.20932507273861 15.999 > 37 40 O 0.09054241550461 0.80901953853767 0.20932507273861 15.999 > 37 41 O 0.42387574883794 0.80901953853767 0.20932507273861 15.999 > 37 42 O 0.75720908217127 0.80901953853767 0.20932507273861 15.999 > 37 43 O 0.09054241550461 0.30901953853767 0.70932507273861 15.999 > 37 44 O 0.42387574883794 0.30901953853767 0.70932507273861 15.999 > 37 45 O 0.75720908217127 0.30901953853767 0.70932507273861 15.999 > 37 46 O 0.09054241550461 0.80901953853767 0.70932507273861 15.999 > 37 47 O 0.42387574883794 0.80901953853767 0.70932507273861 15.999 > 37 48 O 0.75720908217127 0.80901953853767 0.70932507273861 15.999 > 37 49 O 0.24279091782873 0.19098046146233 0.29067492726139 15.999 > 49 50 O 0.57612425116206 0.19098046146233 0.29067492726139 15.999 > 49 51 O 0.90945758449539 0.19098046146233 0.29067492726139 15.999 > 49 52 O 0.24279091782873 0.69098046146233 0.29067492726139 15.999 > 49 53 O 0.57612425116206 0.69098046146233 0.29067492726139 15.999 > 49 54 O 0.90945758449539 0.69098046146233 0.29067492726139 15.999 > 49 55 O 0.24279091782873 0.19098046146233 0.79067492726139 15.999 > 49 56 O 0.57612425116206 0.19098046146233 0.79067492726139 15.999 > 49 57 O 0.90945758449539 0.19098046146233 0.79067492726139 15.999 > 49 58 O 0.24279091782873 0.69098046146233 0.79067492726139 15.999 > 49 59 O 0.57612425116206 0.69098046146233 0.79067492726139 15.999 > 49 60 O 0.90945758449539 0.69098046146233 0.79067492726139 15.999 > 49 61 O 0.07612425116206 0.05901953853766 0.20932507273861 15.999 > 61 62 O 0.40945758449539 0.05901953853766 0.20932507273861 15.999 > 61 63 O 0.74279091782873 0.05901953853766 0.20932507273861 15.999 > 61 64 O 0.07612425116206 0.55901953853766 0.20932507273861 15.999 > 61 65 O 0.40945758449539 0.55901953853766 0.20932507273861 15.999 > 61 66 O 0.74279091782873 0.55901953853766 0.20932507273861 15.999 > 61 67 O 0.07612425116206 0.05901953853766 0.70932507273861 15.999 > 61 68 O 0.40945758449539 0.05901953853766 0.70932507273861 15.999 > 61 69 O 0.74279091782873 0.05901953853766 0.70932507273861 15.999 > 61 70 O 0.07612425116206 0.55901953853766 0.70932507273861 15.999 > 61 71 O 0.40945758449539 0.55901953853766 0.70932507273861 15.999 > 61 72 O 0.74279091782873 0.55901953853766 0.70932507273861 15.999 > 61 73 O 0.25720908217127 0.05901953853766 0.04067492726139 15.999 > 73 74 O 0.59054241550461 0.05901953853766 0.04067492726139 15.999 > 73 75 O 0.92387574883794 0.05901953853766 0.04067492726139 15.999 > 73 76 O 0.25720908217127 0.55901953853766 0.04067492726139 15.999 > 73 77 O 0.59054241550461 0.55901953853766 0.04067492726139 15.999 > 73 78 O 0.92387574883794 0.55901953853766 0.04067492726139 15.999 > 73 79 O 0.25720908217127 0.05901953853766 0.54067492726139 15.999 > 73 80 O 0.59054241550461 0.05901953853766 0.54067492726139 15.999 > 73 81 O 0.92387574883794 0.05901953853766 0.54067492726139 15.999 > 73 82 O 0.25720908217127 0.55901953853766 0.54067492726139 15.999 > 73 83 O 0.59054241550461 0.55901953853766 0.54067492726139 15.999 > 73 84 O 0.92387574883794 0.55901953853766 0.54067492726139 15.999 > 73 85 O 0.09054241550461 0.19098046146233 0.45932507273861 15.999 > 85 86 O 0.42387574883794 0.19098046146233 0.45932507273861 15.999 > 85 87 O 0.75720908217127 0.19098046146233 0.45932507273861 15.999 > 85 88 O 0.09054241550461 0.69098046146233 0.45932507273861 15.999 > 85 89 O 0.42387574883794 0.69098046146233 0.45932507273861 15.999 > 85 90 O 0.75720908217127 0.69098046146233 0.45932507273861 15.999 > 85 91 O 0.09054241550461 0.19098046146233 0.95932507273861 15.999 > 85 92 O 0.42387574883794 0.19098046146233 0.95932507273861 15.999 > 85 93 O 0.75720908217127 0.19098046146233 0.95932507273861 15.999 > 85 94 O 0.09054241550461 0.69098046146233 0.95932507273861 15.999 > 85 95 O 0.42387574883794 0.69098046146233 0.95932507273861 15.999 > 85 96 O 0.75720908217127 0.69098046146233 0.95932507273861 15.999 > 85 97 Ti 0.16666666666667 0.33738182999650 0.37500000000000 47.867 > 97 98 Ti 0.50000000000000 0.33738182999650 0.37500000000000 47.867 > 97 99 Ti 0.83333333333333 0.33738182999650 0.37500000000000 47.867 > 97 100 Ti 0.16666666666667 0.83738182999650 0.37500000000000 47.867 > 97 101 Ti 0.50000000000000 0.83738182999650 0.37500000000000 47.867 > 97 102 Ti 0.83333333333333 0.83738182999650 0.37500000000000 47.867 > 97 103 Ti 0.16666666666667 0.33738182999650 0.87500000000000 47.867 > 97 104 Ti 0.50000000000000 0.33738182999650 0.87500000000000 47.867 > 97 105 Ti 0.83333333333333 0.33738182999650 0.87500000000000 47.867 > 97 106 Ti 0.16666666666667 0.83738182999650 0.87500000000000 47.867 > 97 107 Ti 0.50000000000000 0.83738182999650 0.87500000000000 47.867 > 97 108 Ti 0.83333333333333 0.83738182999650 0.87500000000000 47.867 > 97 109 Ti 0.00000000000000 0.41261817000350 0.12500000000000 47.867 > 109 110 Ti 0.33333333333333 0.41261817000350 0.12500000000000 47.867 > 109 111 Ti 0.66666666666667 0.41261817000350 0.12500000000000 47.867 > 109 112 Ti 0.00000000000000 0.91261817000350 0.12500000000000 47.867 > 109 113 Ti 0.33333333333333 0.91261817000350 0.12500000000000 47.867 > 109 114 Ti 0.66666666666667 0.91261817000350 0.12500000000000 47.867 > 109 115 Ti 0.00000000000000 0.41261817000350 0.62500000000000 47.867 > 109 116 Ti 0.33333333333333 0.41261817000350 0.62500000000000 47.867 > 109 117 Ti 0.66666666666667 0.41261817000350 0.62500000000000 47.867 > 109 118 Ti 0.00000000000000 0.91261817000350 0.62500000000000 47.867 > 109 119 Ti 0.33333333333333 0.91261817000350 0.62500000000000 47.867 > 109 120 Ti 0.66666666666667 0.91261817000350 0.62500000000000 47.867 > 109 121 Ti 0.16666666666667 0.16261817000350 0.12500000000000 47.867 > 121 122 Ti 0.50000000000000 0.16261817000350 0.12500000000000 47.867 > 121 123 Ti 0.83333333333333 0.16261817000350 0.12500000000000 47.867 > 121 124 Ti 0.16666666666667 0.66261817000350 0.12500000000000 47.867 > 121 125 Ti 0.50000000000000 0.66261817000350 0.12500000000000 47.867 > 121 126 Ti 0.83333333333333 0.66261817000350 0.12500000000000 47.867 > 121 127 Ti 0.16666666666667 0.16261817000350 0.62500000000000 47.867 > 121 128 Ti 0.50000000000000 0.16261817000350 0.62500000000000 47.867 > 121 129 Ti 0.83333333333333 0.16261817000350 0.62500000000000 47.867 > 121 130 Ti 0.16666666666667 0.66261817000350 0.62500000000000 47.867 > 121 131 Ti 0.50000000000000 0.66261817000350 0.62500000000000 47.867 > 121 132 Ti 0.83333333333333 0.66261817000350 0.62500000000000 47.867 > 121 133 Ti 0.00000000000000 0.08738182999650 0.37500000000000 47.867 > 133 134 Ti 0.33333333333333 0.08738182999650 0.37500000000000 47.867 > 133 135 Ti 0.66666666666667 0.08738182999650 0.37500000000000 47.867 > 133 136 Ti 0.00000000000000 0.58738182999650 0.37500000000000 47.867 > 133 137 Ti 0.33333333333333 0.58738182999650 0.37500000000000 47.867 > 133 138 Ti 0.66666666666667 0.58738182999650 0.37500000000000 47.867 > 133 139 Ti 0.00000000000000 0.08738182999650 0.87500000000000 47.867 > 133 140 Ti 0.33333333333333 0.08738182999650 0.87500000000000 47.867 > 133 141 Ti 0.66666666666667 0.08738182999650 0.87500000000000 47.867 > 133 142 Ti 0.00000000000000 0.58738182999650 0.87500000000000 47.867 > 133 143 Ti 0.33333333333333 0.58738182999650 0.87500000000000 47.867 > 133 144 Ti 0.66666666666667 0.58738182999650 0.87500000000000 47.867 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3127384 0.0000000 0.0000000 0.0000000 6.7163162 0.0000000 0.0000000 0.0000000 7.8021211 -------------------------- Born effective charges -------------------------- 1 O -3.4274625 -1.5366943 -1.6131090 -1.2711169 -2.7393708 -0.0799596 -1.3910635 -0.0086163 -3.3163915 2 O -3.4274625 1.5366943 1.6131090 1.2711169 -2.7393708 -0.0799596 1.3910635 -0.0086163 -3.3163915 3 O -3.4274625 -1.5366943 1.6131090 -1.2711169 -2.7393708 0.0799596 1.3910635 0.0086163 -3.3163915 4 O -3.4274625 1.5366943 -1.6131090 1.2711169 -2.7393708 0.0799596 -1.3910635 0.0086163 -3.3163915 5 O -3.4274625 1.5366943 -1.6131090 1.2711169 -2.7393708 0.0799596 -1.3910635 0.0086163 -3.3163915 6 O -3.4274625 -1.5366943 1.6131090 -1.2711169 -2.7393708 0.0799596 1.3910635 0.0086163 -3.3163915 7 O -3.4274625 1.5366943 1.6131090 1.2711169 -2.7393708 -0.0799596 1.3910635 -0.0086163 -3.3163915 8 O -3.4274625 -1.5366943 -1.6131090 -1.2711169 -2.7393708 -0.0799596 -1.3910635 -0.0086163 -3.3163915 9 Ti 6.8549250 0.0000000 -0.3483158 0.0000000 5.4787417 0.0000000 -0.1418483 0.0000000 6.6327830 10 Ti 6.8549250 0.0000000 0.3483158 0.0000000 5.4787417 0.0000000 0.1418483 0.0000000 6.6327830 11 Ti 6.8549250 0.0000000 -0.3483158 0.0000000 5.4787417 0.0000000 -0.1418483 0.0000000 6.6327830 12 Ti 6.8549250 0.0000000 0.3483158 0.0000000 5.4787417 0.0000000 0.1418483 0.0000000 6.6327830 ---------------------------------------------------------------------------- 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[ 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] 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 (xz) 0.00000000 (xz) 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 18:50:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:50:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.544505030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.503967019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.889136360000000 Atomic positions (fractional): 1 O 0.72837275348618 0.61803907707533 0.08134985452278 15.999 2 O 0.22837275348618 0.88196092292467 0.91865014547722 15.999 3 O 0.77162724651382 0.88196092292467 0.58134985452278 15.999 4 O 0.27162724651382 0.61803907707533 0.41865014547722 15.999 5 O 0.72837275348618 0.38196092292467 0.58134985452278 15.999 6 O 0.22837275348618 0.11803907707533 0.41865014547722 15.999 7 O 0.77162724651382 0.11803907707533 0.08134985452278 15.999 8 O 0.27162724651382 0.38196092292467 0.91865014547722 15.999 9 Ti 0.50000000000000 0.67476365999300 0.75000000000000 47.867 10 Ti 0.00000000000000 0.82523634000700 0.25000000000000 47.867 11 Ti 0.50000000000000 0.32523634000700 0.25000000000000 47.867 12 Ti 0.00000000000000 0.17476365999300 0.75000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.633515090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.007934039999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.778272720000000 Atomic positions (fractional): 1 O 0.24279091782873 0.30901953853767 0.04067492726139 15.999 > 1 2 O 0.57612425116206 0.30901953853767 0.04067492726139 15.999 > 1 3 O 0.90945758449539 0.30901953853767 0.04067492726139 15.999 > 1 4 O 0.24279091782873 0.80901953853767 0.04067492726139 15.999 > 1 5 O 0.57612425116206 0.80901953853767 0.04067492726139 15.999 > 1 6 O 0.90945758449539 0.80901953853767 0.04067492726139 15.999 > 1 7 O 0.24279091782873 0.30901953853767 0.54067492726139 15.999 > 1 8 O 0.57612425116206 0.30901953853767 0.54067492726139 15.999 > 1 9 O 0.90945758449539 0.30901953853767 0.54067492726139 15.999 > 1 10 O 0.24279091782873 0.80901953853767 0.54067492726139 15.999 > 1 11 O 0.57612425116206 0.80901953853767 0.54067492726139 15.999 > 1 12 O 0.90945758449539 0.80901953853767 0.54067492726139 15.999 > 1 13 O 0.07612425116206 0.44098046146233 0.45932507273861 15.999 > 13 14 O 0.40945758449539 0.44098046146233 0.45932507273861 15.999 > 13 15 O 0.74279091782873 0.44098046146233 0.45932507273861 15.999 > 13 16 O 0.07612425116206 0.94098046146233 0.45932507273861 15.999 > 13 17 O 0.40945758449539 0.94098046146233 0.45932507273861 15.999 > 13 18 O 0.74279091782873 0.94098046146233 0.45932507273861 15.999 > 13 19 O 0.07612425116206 0.44098046146233 0.95932507273861 15.999 > 13 20 O 0.40945758449539 0.44098046146233 0.95932507273861 15.999 > 13 21 O 0.74279091782873 0.44098046146233 0.95932507273861 15.999 > 13 22 O 0.07612425116206 0.94098046146233 0.95932507273861 15.999 > 13 23 O 0.40945758449539 0.94098046146233 0.95932507273861 15.999 > 13 24 O 0.74279091782873 0.94098046146233 0.95932507273861 15.999 > 13 25 O 0.25720908217127 0.44098046146233 0.29067492726139 15.999 > 25 26 O 0.59054241550461 0.44098046146233 0.29067492726139 15.999 > 25 27 O 0.92387574883794 0.44098046146233 0.29067492726139 15.999 > 25 28 O 0.25720908217127 0.94098046146233 0.29067492726139 15.999 > 25 29 O 0.59054241550461 0.94098046146233 0.29067492726139 15.999 > 25 30 O 0.92387574883794 0.94098046146233 0.29067492726139 15.999 > 25 31 O 0.25720908217127 0.44098046146233 0.79067492726139 15.999 > 25 32 O 0.59054241550461 0.44098046146233 0.79067492726139 15.999 > 25 33 O 0.92387574883794 0.44098046146233 0.79067492726139 15.999 > 25 34 O 0.25720908217127 0.94098046146233 0.79067492726139 15.999 > 25 35 O 0.59054241550461 0.94098046146233 0.79067492726139 15.999 > 25 36 O 0.92387574883794 0.94098046146233 0.79067492726139 15.999 > 25 37 O 0.09054241550461 0.30901953853767 0.20932507273861 15.999 > 37 38 O 0.42387574883794 0.30901953853767 0.20932507273861 15.999 > 37 39 O 0.75720908217127 0.30901953853767 0.20932507273861 15.999 > 37 40 O 0.09054241550461 0.80901953853767 0.20932507273861 15.999 > 37 41 O 0.42387574883794 0.80901953853767 0.20932507273861 15.999 > 37 42 O 0.75720908217127 0.80901953853767 0.20932507273861 15.999 > 37 43 O 0.09054241550461 0.30901953853767 0.70932507273861 15.999 > 37 44 O 0.42387574883794 0.30901953853767 0.70932507273861 15.999 > 37 45 O 0.75720908217127 0.30901953853767 0.70932507273861 15.999 > 37 46 O 0.09054241550461 0.80901953853767 0.70932507273861 15.999 > 37 47 O 0.42387574883794 0.80901953853767 0.70932507273861 15.999 > 37 48 O 0.75720908217127 0.80901953853767 0.70932507273861 15.999 > 37 49 O 0.24279091782873 0.19098046146233 0.29067492726139 15.999 > 49 50 O 0.57612425116206 0.19098046146233 0.29067492726139 15.999 > 49 51 O 0.90945758449539 0.19098046146233 0.29067492726139 15.999 > 49 52 O 0.24279091782873 0.69098046146233 0.29067492726139 15.999 > 49 53 O 0.57612425116206 0.69098046146233 0.29067492726139 15.999 > 49 54 O 0.90945758449539 0.69098046146233 0.29067492726139 15.999 > 49 55 O 0.24279091782873 0.19098046146233 0.79067492726139 15.999 > 49 56 O 0.57612425116206 0.19098046146233 0.79067492726139 15.999 > 49 57 O 0.90945758449539 0.19098046146233 0.79067492726139 15.999 > 49 58 O 0.24279091782873 0.69098046146233 0.79067492726139 15.999 > 49 59 O 0.57612425116206 0.69098046146233 0.79067492726139 15.999 > 49 60 O 0.90945758449539 0.69098046146233 0.79067492726139 15.999 > 49 61 O 0.07612425116206 0.05901953853766 0.20932507273861 15.999 > 61 62 O 0.40945758449539 0.05901953853766 0.20932507273861 15.999 > 61 63 O 0.74279091782873 0.05901953853766 0.20932507273861 15.999 > 61 64 O 0.07612425116206 0.55901953853766 0.20932507273861 15.999 > 61 65 O 0.40945758449539 0.55901953853766 0.20932507273861 15.999 > 61 66 O 0.74279091782873 0.55901953853766 0.20932507273861 15.999 > 61 67 O 0.07612425116206 0.05901953853766 0.70932507273861 15.999 > 61 68 O 0.40945758449539 0.05901953853766 0.70932507273861 15.999 > 61 69 O 0.74279091782873 0.05901953853766 0.70932507273861 15.999 > 61 70 O 0.07612425116206 0.55901953853766 0.70932507273861 15.999 > 61 71 O 0.40945758449539 0.55901953853766 0.70932507273861 15.999 > 61 72 O 0.74279091782873 0.55901953853766 0.70932507273861 15.999 > 61 73 O 0.25720908217127 0.05901953853766 0.04067492726139 15.999 > 73 74 O 0.59054241550461 0.05901953853766 0.04067492726139 15.999 > 73 75 O 0.92387574883794 0.05901953853766 0.04067492726139 15.999 > 73 76 O 0.25720908217127 0.55901953853766 0.04067492726139 15.999 > 73 77 O 0.59054241550461 0.55901953853766 0.04067492726139 15.999 > 73 78 O 0.92387574883794 0.55901953853766 0.04067492726139 15.999 > 73 79 O 0.25720908217127 0.05901953853766 0.54067492726139 15.999 > 73 80 O 0.59054241550461 0.05901953853766 0.54067492726139 15.999 > 73 81 O 0.92387574883794 0.05901953853766 0.54067492726139 15.999 > 73 82 O 0.25720908217127 0.55901953853766 0.54067492726139 15.999 > 73 83 O 0.59054241550461 0.55901953853766 0.54067492726139 15.999 > 73 84 O 0.92387574883794 0.55901953853766 0.54067492726139 15.999 > 73 85 O 0.09054241550461 0.19098046146233 0.45932507273861 15.999 > 85 86 O 0.42387574883794 0.19098046146233 0.45932507273861 15.999 > 85 87 O 0.75720908217127 0.19098046146233 0.45932507273861 15.999 > 85 88 O 0.09054241550461 0.69098046146233 0.45932507273861 15.999 > 85 89 O 0.42387574883794 0.69098046146233 0.45932507273861 15.999 > 85 90 O 0.75720908217127 0.69098046146233 0.45932507273861 15.999 > 85 91 O 0.09054241550461 0.19098046146233 0.95932507273861 15.999 > 85 92 O 0.42387574883794 0.19098046146233 0.95932507273861 15.999 > 85 93 O 0.75720908217127 0.19098046146233 0.95932507273861 15.999 > 85 94 O 0.09054241550461 0.69098046146233 0.95932507273861 15.999 > 85 95 O 0.42387574883794 0.69098046146233 0.95932507273861 15.999 > 85 96 O 0.75720908217127 0.69098046146233 0.95932507273861 15.999 > 85 97 Ti 0.16666666666667 0.33738182999650 0.37500000000000 47.867 > 97 98 Ti 0.50000000000000 0.33738182999650 0.37500000000000 47.867 > 97 99 Ti 0.83333333333333 0.33738182999650 0.37500000000000 47.867 > 97 100 Ti 0.16666666666667 0.83738182999650 0.37500000000000 47.867 > 97 101 Ti 0.50000000000000 0.83738182999650 0.37500000000000 47.867 > 97 102 Ti 0.83333333333333 0.83738182999650 0.37500000000000 47.867 > 97 103 Ti 0.16666666666667 0.33738182999650 0.87500000000000 47.867 > 97 104 Ti 0.50000000000000 0.33738182999650 0.87500000000000 47.867 > 97 105 Ti 0.83333333333333 0.33738182999650 0.87500000000000 47.867 > 97 106 Ti 0.16666666666667 0.83738182999650 0.87500000000000 47.867 > 97 107 Ti 0.50000000000000 0.83738182999650 0.87500000000000 47.867 > 97 108 Ti 0.83333333333333 0.83738182999650 0.87500000000000 47.867 > 97 109 Ti 0.00000000000000 0.41261817000350 0.12500000000000 47.867 > 109 110 Ti 0.33333333333333 0.41261817000350 0.12500000000000 47.867 > 109 111 Ti 0.66666666666667 0.41261817000350 0.12500000000000 47.867 > 109 112 Ti 0.00000000000000 0.91261817000350 0.12500000000000 47.867 > 109 113 Ti 0.33333333333333 0.91261817000350 0.12500000000000 47.867 > 109 114 Ti 0.66666666666667 0.91261817000350 0.12500000000000 47.867 > 109 115 Ti 0.00000000000000 0.41261817000350 0.62500000000000 47.867 > 109 116 Ti 0.33333333333333 0.41261817000350 0.62500000000000 47.867 > 109 117 Ti 0.66666666666667 0.41261817000350 0.62500000000000 47.867 > 109 118 Ti 0.00000000000000 0.91261817000350 0.62500000000000 47.867 > 109 119 Ti 0.33333333333333 0.91261817000350 0.62500000000000 47.867 > 109 120 Ti 0.66666666666667 0.91261817000350 0.62500000000000 47.867 > 109 121 Ti 0.16666666666667 0.16261817000350 0.12500000000000 47.867 > 121 122 Ti 0.50000000000000 0.16261817000350 0.12500000000000 47.867 > 121 123 Ti 0.83333333333333 0.16261817000350 0.12500000000000 47.867 > 121 124 Ti 0.16666666666667 0.66261817000350 0.12500000000000 47.867 > 121 125 Ti 0.50000000000000 0.66261817000350 0.12500000000000 47.867 > 121 126 Ti 0.83333333333333 0.66261817000350 0.12500000000000 47.867 > 121 127 Ti 0.16666666666667 0.16261817000350 0.62500000000000 47.867 > 121 128 Ti 0.50000000000000 0.16261817000350 0.62500000000000 47.867 > 121 129 Ti 0.83333333333333 0.16261817000350 0.62500000000000 47.867 > 121 130 Ti 0.16666666666667 0.66261817000350 0.62500000000000 47.867 > 121 131 Ti 0.50000000000000 0.66261817000350 0.62500000000000 47.867 > 121 132 Ti 0.83333333333333 0.66261817000350 0.62500000000000 47.867 > 121 133 Ti 0.00000000000000 0.08738182999650 0.37500000000000 47.867 > 133 134 Ti 0.33333333333333 0.08738182999650 0.37500000000000 47.867 > 133 135 Ti 0.66666666666667 0.08738182999650 0.37500000000000 47.867 > 133 136 Ti 0.00000000000000 0.58738182999650 0.37500000000000 47.867 > 133 137 Ti 0.33333333333333 0.58738182999650 0.37500000000000 47.867 > 133 138 Ti 0.66666666666667 0.58738182999650 0.37500000000000 47.867 > 133 139 Ti 0.00000000000000 0.08738182999650 0.87500000000000 47.867 > 133 140 Ti 0.33333333333333 0.08738182999650 0.87500000000000 47.867 > 133 141 Ti 0.66666666666667 0.08738182999650 0.87500000000000 47.867 > 133 142 Ti 0.00000000000000 0.58738182999650 0.87500000000000 47.867 > 133 143 Ti 0.33333333333333 0.58738182999650 0.87500000000000 47.867 > 133 144 Ti 0.66666666666667 0.58738182999650 0.87500000000000 47.867 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.3127384 0.0000000 0.0000000 0.0000000 6.7163162 0.0000000 0.0000000 0.0000000 7.8021211 -------------------------- Born effective charges -------------------------- 1 O -3.4274625 -1.5366943 -1.6131090 -1.2711169 -2.7393708 -0.0799596 -1.3910635 -0.0086163 -3.3163915 2 O -3.4274625 1.5366943 1.6131090 1.2711169 -2.7393708 -0.0799596 1.3910635 -0.0086163 -3.3163915 3 O -3.4274625 -1.5366943 1.6131090 -1.2711169 -2.7393708 0.0799596 1.3910635 0.0086163 -3.3163915 4 O -3.4274625 1.5366943 -1.6131090 1.2711169 -2.7393708 0.0799596 -1.3910635 0.0086163 -3.3163915 5 O -3.4274625 1.5366943 -1.6131090 1.2711169 -2.7393708 0.0799596 -1.3910635 0.0086163 -3.3163915 6 O -3.4274625 -1.5366943 1.6131090 -1.2711169 -2.7393708 0.0799596 1.3910635 0.0086163 -3.3163915 7 O -3.4274625 1.5366943 1.6131090 1.2711169 -2.7393708 -0.0799596 1.3910635 -0.0086163 -3.3163915 8 O -3.4274625 -1.5366943 -1.6131090 -1.2711169 -2.7393708 -0.0799596 -1.3910635 -0.0086163 -3.3163915 9 Ti 6.8549250 0.0000000 -0.3483158 0.0000000 5.4787417 0.0000000 -0.1418483 0.0000000 6.6327830 10 Ti 6.8549250 0.0000000 0.3483158 0.0000000 5.4787417 0.0000000 0.1418483 0.0000000 6.6327830 11 Ti 6.8549250 0.0000000 -0.3483158 0.0000000 5.4787417 0.0000000 -0.1418483 0.0000000 6.6327830 12 Ti 6.8549250 0.0000000 0.3483158 0.0000000 5.4787417 0.0000000 0.1418483 0.0000000 6.6327830 ---------------------------------------------------------------------------- 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 ... [ 11 9 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.84, Number of G-points: 287, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/180) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 180 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 4.427 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 8.512 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.198 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 10.242 ( 0.000 0.000 0.000) 0.000 10.294 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 11.472 ( 0.000 0.000 0.000) 0.000 12.212 ( 0.000 0.000 0.000) 0.000 12.585 ( 0.000 0.000 0.000) 0.000 12.589 ( 0.000 0.000 0.000) 0.000 12.667 ( 0.000 0.000 0.000) 0.000 12.958 ( 0.000 0.000 0.000) 0.000 13.420 ( 0.000 0.000 0.000) 0.000 14.186 ( 0.000 0.000 0.000) 0.000 15.243 ( 0.000 0.000 0.000) 0.000 15.436 ( 0.000 0.000 0.000) 0.000 16.060 ( 0.000 0.000 0.000) 0.000 16.387 ( 0.000 0.000 0.000) 0.000 16.904 ( 0.000 0.000 0.000) 0.000 18.376 ( 0.000 0.000 0.000) 0.000 18.640 ( 0.000 0.000 0.000) 0.000 20.851 ( 0.000 0.000 0.000) 0.000 24.196 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/180) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 42.411 0.000 0.000) 42.411 1.057 ( 51.438 0.000 0.000) 51.438 1.726 ( 85.296 0.000 0.000) 85.296 4.463 ( 3.338 0.000 0.000) 3.338 5.002 ( 1.544 0.000 0.000) 1.544 5.394 ( 18.938 0.000 0.000) 18.938 5.872 ( 9.890 0.000 0.000) 9.890 6.513 ( -3.528 0.000 0.000) 3.528 7.430 ( 5.623 0.000 0.000) 5.623 8.310 ( 6.004 0.000 0.000) 6.004 8.389 ( -14.457 0.000 0.000) 14.457 8.610 ( 0.684 0.000 0.000) 0.684 9.056 ( -4.001 0.000 0.000) 4.001 9.062 ( 9.623 0.000 0.000) 9.623 9.141 ( -5.699 0.000 0.000) 5.699 9.522 ( 9.638 0.000 0.000) 9.638 10.110 ( -15.687 0.000 0.000) 15.687 10.201 ( -4.036 0.000 0.000) 4.036 11.629 ( 12.701 0.000 0.000) 12.701 12.132 ( -7.863 0.000 0.000) 7.863 12.393 ( -13.329 0.000 0.000) 13.329 12.618 ( -4.707 0.000 0.000) 4.707 12.623 ( 3.425 0.000 0.000) 3.425 13.187 ( 16.565 0.000 0.000) 16.565 13.349 ( -6.220 0.000 0.000) 6.220 14.075 ( 5.992 0.000 0.000) 5.992 15.108 ( -12.670 0.000 0.000) 12.670 15.397 ( -3.919 0.000 0.000) 3.919 15.992 ( -6.634 0.000 0.000) 6.634 16.387 ( -0.537 0.000 0.000) 0.537 16.806 ( -9.395 0.000 0.000) 9.395 17.902 ( -28.455 0.000 0.000) 28.455 19.120 ( 28.829 0.000 0.000) 28.829 20.896 ( 4.193 0.000 0.000) 4.193 24.216 ( 2.004 0.000 0.000) 2.004 24.873 ( -0.361 0.000 0.000) 0.361 ======================= Grid point 2 (3/180) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 43.268 0.000 0.000) 43.268 2.036 ( 46.055 0.000 0.000) 46.055 3.389 ( 80.102 0.000 0.000) 80.102 4.544 ( 4.168 0.000 0.000) 4.168 5.037 ( 1.737 0.000 0.000) 1.737 5.879 ( 27.670 0.000 0.000) 27.670 6.139 ( 15.906 0.000 0.000) 15.906 6.422 ( -5.078 0.000 0.000) 5.078 7.599 ( 11.237 0.000 0.000) 11.237 8.085 ( -16.068 0.000 0.000) 16.068 8.436 ( 4.798 0.000 0.000) 4.798 8.664 ( 5.218 0.000 0.000) 5.218 8.961 ( -4.046 0.000 0.000) 4.046 8.974 ( -10.690 0.000 0.000) 10.690 9.088 ( -4.767 0.000 0.000) 4.767 9.757 ( -18.534 0.000 0.000) 18.534 9.947 ( 30.775 0.000 0.000) 30.775 10.082 ( -7.852 0.000 0.000) 7.852 11.858 ( 7.867 0.000 0.000) 7.867 11.897 ( -15.833 0.000 0.000) 15.833 12.149 ( -10.487 0.000 0.000) 10.487 12.494 ( -7.205 0.000 0.000) 7.205 12.705 ( 4.207 0.000 0.000) 4.207 13.234 ( -3.372 0.000 0.000) 3.372 13.527 ( 16.778 0.000 0.000) 16.778 14.243 ( 10.566 0.000 0.000) 10.566 14.788 ( -17.824 0.000 0.000) 17.824 15.273 ( -8.697 0.000 0.000) 8.697 15.801 ( -12.237 0.000 0.000) 12.237 16.338 ( -4.886 0.000 0.000) 4.886 16.557 ( -14.634 0.000 0.000) 14.634 17.335 ( -28.071 0.000 0.000) 28.071 19.682 ( 26.884 0.000 0.000) 26.884 20.998 ( 5.347 0.000 0.000) 5.347 24.276 ( 3.947 0.000 0.000) 3.947 24.861 ( -0.922 0.000 0.000) 0.922 ======================= Grid point 3 (4/180) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 40.250 0.000 0.000) 40.250 2.890 ( 39.297 0.000 0.000) 39.297 4.599 ( 0.469 0.000 0.000) 0.469 4.808 ( 42.325 0.000 0.000) 42.325 5.140 ( 26.352 0.000 0.000) 26.352 6.340 ( -2.208 0.000 0.000) 2.208 6.443 ( 27.752 0.000 0.000) 27.752 6.472 ( 16.512 0.000 0.000) 16.512 7.742 ( -18.027 0.000 0.000) 18.027 7.871 ( 15.525 0.000 0.000) 15.525 8.488 ( 1.153 0.000 0.000) 1.153 8.716 ( -1.398 0.000 0.000) 1.398 8.735 ( -12.631 0.000 0.000) 12.631 8.954 ( -7.567 0.000 0.000) 7.567 9.021 ( 11.161 0.000 0.000) 11.161 9.378 ( -19.343 0.000 0.000) 19.343 9.892 ( -10.999 0.000 0.000) 10.999 10.669 ( 39.769 0.000 0.000) 39.769 11.490 ( -24.938 0.000 0.000) 24.938 11.906 ( -2.443 0.000 0.000) 2.443 11.990 ( -4.879 0.000 0.000) 4.879 12.352 ( -6.389 0.000 0.000) 6.389 12.760 ( 0.318 0.000 0.000) 0.318 13.258 ( 5.229 0.000 0.000) 5.229 13.841 ( 14.313 0.000 0.000) 14.313 14.460 ( -13.180 0.000 0.000) 13.180 14.486 ( 13.363 0.000 0.000) 13.363 15.042 ( -14.556 0.000 0.000) 14.556 15.518 ( -15.564 0.000 0.000) 15.564 16.183 ( -10.574 0.000 0.000) 10.574 16.256 ( -14.666 0.000 0.000) 14.666 16.789 ( -26.135 0.000 0.000) 26.135 20.180 ( 22.631 0.000 0.000) 22.631 21.088 ( 3.232 0.000 0.000) 3.232 24.371 ( 5.455 0.000 0.000) 5.455 24.834 ( -1.829 0.000 0.000) 1.829 ======================= Grid point 4 (5/180) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 33.573 0.000 0.000) 33.573 3.607 ( 32.400 0.000 0.000) 32.400 4.532 ( -7.660 0.000 0.000) 7.660 4.874 ( -8.480 0.000 0.000) 8.480 6.208 ( 50.124 0.000 0.000) 50.124 6.367 ( 5.442 0.000 0.000) 5.442 6.773 ( 13.087 0.000 0.000) 13.087 6.941 ( 17.978 0.000 0.000) 17.978 7.409 ( -10.785 0.000 0.000) 10.785 8.189 ( 15.222 0.000 0.000) 15.222 8.473 ( -14.383 0.000 0.000) 14.383 8.493 ( -0.062 0.000 0.000) 0.062 8.748 ( 6.985 0.000 0.000) 6.985 8.811 ( -6.312 0.000 0.000) 6.312 8.998 ( -17.435 0.000 0.000) 17.435 9.293 ( 14.447 0.000 0.000) 14.447 9.650 ( -12.969 0.000 0.000) 12.969 10.900 ( -33.681 0.000 0.000) 33.681 11.419 ( 28.548 0.000 0.000) 28.548 11.818 ( -5.034 0.000 0.000) 5.034 12.026 ( 13.846 0.000 0.000) 13.846 12.266 ( -1.535 0.000 0.000) 1.535 12.686 ( -7.754 0.000 0.000) 7.754 13.364 ( 2.542 0.000 0.000) 2.542 14.088 ( 10.074 0.000 0.000) 10.074 14.320 ( -0.137 0.000 0.000) 0.137 14.700 ( -18.675 0.000 0.000) 18.675 14.743 ( 9.843 0.000 0.000) 9.843 15.222 ( -11.184 0.000 0.000) 11.184 15.923 ( -15.078 0.000 0.000) 15.078 16.003 ( -9.845 0.000 0.000) 9.845 16.315 ( -20.473 0.000 0.000) 20.473 20.580 ( 17.269 0.000 0.000) 17.269 21.114 ( -0.916 0.000 0.000) 0.916 24.488 ( 6.068 0.000 0.000) 6.068 24.785 ( -3.089 0.000 0.000) 3.089 ======================= Grid point 5 (6/180) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.868 ( 25.227 0.000 0.000) 25.227 4.185 ( 25.287 0.000 0.000) 25.287 4.287 ( -16.697 0.000 0.000) 16.697 4.614 ( -17.366 0.000 0.000) 17.366 6.558 ( 13.252 0.000 0.000) 13.252 6.865 ( -15.983 0.000 0.000) 15.983 6.886 ( 16.649 0.000 0.000) 16.649 6.967 ( 5.089 0.000 0.000) 5.089 7.631 ( 23.880 0.000 0.000) 23.880 8.110 ( -22.167 0.000 0.000) 22.167 8.434 ( 8.225 0.000 0.000) 8.225 8.506 ( 0.210 0.000 0.000) 0.210 8.720 ( -2.208 0.000 0.000) 2.208 8.752 ( -6.343 0.000 0.000) 6.343 9.020 ( 18.851 0.000 0.000) 18.851 9.373 ( -15.163 0.000 0.000) 15.163 9.618 ( 20.479 0.000 0.000) 20.479 10.189 ( -35.106 0.000 0.000) 35.106 11.671 ( 3.757 0.000 0.000) 3.757 11.732 ( -3.384 0.000 0.000) 3.384 12.309 ( 5.948 0.000 0.000) 5.948 12.486 ( -10.767 0.000 0.000) 10.767 12.621 ( 36.532 0.000 0.000) 36.532 13.222 ( -19.528 0.000 0.000) 19.528 14.242 ( 5.793 0.000 0.000) 5.793 14.383 ( -10.773 0.000 0.000) 10.773 14.437 ( 10.717 0.000 0.000) 10.717 14.691 ( -12.559 0.000 0.000) 12.559 15.271 ( 13.868 0.000 0.000) 13.868 15.596 ( -17.089 0.000 0.000) 17.089 15.893 ( -0.481 0.000 0.000) 0.481 15.997 ( -10.840 0.000 0.000) 10.840 20.869 ( 11.593 0.000 0.000) 11.593 21.045 ( -6.040 0.000 0.000) 6.040 24.607 ( 5.654 0.000 0.000) 5.654 24.709 ( -4.501 0.000 0.000) 4.501 ======================= Grid point 11 (7/180) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 40.305 0.000) 40.305 0.883 ( 0.000 42.526 0.000) 42.526 1.730 ( 0.000 84.659 0.000) 84.659 4.380 ( 0.000 -4.524 0.000) 4.524 5.117 ( 0.000 -7.426 0.000) 7.426 5.177 ( 0.000 18.502 0.000) 18.502 5.780 ( 0.000 1.278 0.000) 1.278 6.006 ( 0.000 1.194 0.000) 1.194 6.696 ( 0.000 13.792 0.000) 13.792 7.520 ( 0.000 14.177 0.000) 14.177 8.517 ( 0.000 4.370 0.000) 4.370 8.816 ( 0.000 15.386 0.000) 15.386 9.069 ( 0.000 -12.707 0.000) 12.707 9.143 ( 0.000 4.126 0.000) 4.126 9.448 ( 0.000 -0.909 0.000) 0.909 10.114 ( 0.000 -12.986 0.000) 12.986 10.205 ( 0.000 -8.003 0.000) 8.003 10.658 ( 0.000 3.532 0.000) 3.532 11.372 ( 0.000 3.717 0.000) 3.717 11.436 ( 0.000 -3.535 0.000) 3.535 12.251 ( 0.000 3.465 0.000) 3.465 12.451 ( 0.000 -12.452 0.000) 12.452 12.728 ( 0.000 5.817 0.000) 5.817 12.904 ( 0.000 -5.251 0.000) 5.251 13.417 ( 0.000 -0.989 0.000) 0.989 14.212 ( 0.000 2.844 0.000) 2.844 15.001 ( 0.000 -16.917 0.000) 16.917 15.593 ( 0.000 8.836 0.000) 8.836 16.068 ( 0.000 0.708 0.000) 0.708 16.308 ( 0.000 -7.663 0.000) 7.663 16.944 ( 0.000 3.848 0.000) 3.848 18.309 ( 0.000 -6.553 0.000) 6.553 18.698 ( 0.000 5.576 0.000) 5.576 19.316 ( 0.000 0.063 0.000) 0.063 23.491 ( 0.000 2.117 0.000) 2.117 24.179 ( 0.000 -1.705 0.000) 1.705 ======================= Grid point 12 (8/180) ======================= q-point: ( 0.09 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 28.711 27.222 0.000) 39.565 1.353 ( 37.850 25.533 0.000) 45.657 2.396 ( 56.350 55.939 0.000) 79.400 4.412 ( 2.973 -4.859 0.000) 5.697 5.125 ( 0.041 10.917 0.000) 10.918 5.384 ( 15.236 0.284 0.000) 15.238 5.872 ( 8.854 0.379 0.000) 8.862 6.662 ( -3.238 13.904 0.000) 14.276 7.398 ( 63.926 -46.719 0.000) 79.178 7.570 ( 5.015 13.477 0.000) 14.380 8.499 ( -4.165 4.484 0.000) 6.120 8.729 ( -7.385 16.134 0.000) 17.744 9.024 ( -4.450 -11.511 0.000) 12.341 9.051 ( -7.037 1.186 0.000) 7.136 9.352 ( -6.796 6.815 0.000) 9.624 10.003 ( -9.990 32.593 0.000) 34.090 10.009 ( -13.659 -10.811 0.000) 17.419 10.093 ( -5.615 -9.345 0.000) 10.903 11.572 ( 10.899 -5.325 0.000) 12.130 12.162 ( -8.200 1.892 0.000) 8.415 12.222 ( 15.744 -14.077 0.000) 21.120 12.509 ( 4.851 -10.171 0.000) 11.269 12.680 ( -4.348 5.840 0.000) 7.281 12.964 ( 13.671 -12.367 0.000) 18.435 13.343 ( -6.560 -1.094 0.000) 6.651 14.118 ( -1.004 2.947 0.000) 3.113 14.901 ( -9.737 -15.498 0.000) 18.303 15.538 ( -4.981 9.203 0.000) 10.464 16.006 ( -6.272 1.237 0.000) 6.393 16.312 ( -0.451 -7.426 0.000) 7.440 16.841 ( -8.407 3.580 0.000) 9.137 17.848 ( -29.157 -5.315 0.000) 29.637 19.154 ( 28.662 3.312 0.000) 28.853 20.330 ( 39.939 -36.808 0.000) 54.314 24.139 ( 35.487 -33.320 0.000) 48.678 24.197 ( 1.799 -1.883 0.000) 2.605 ======================= Grid point 13 (9/180) ======================= q-point: ( 0.18 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 38.067 14.482 0.000) 40.729 2.168 ( 41.249 12.595 0.000) 43.129 3.684 ( 68.502 26.888 0.000) 73.590 4.484 ( 3.641 -5.724 0.000) 6.784 5.128 ( -0.773 9.669 0.000) 9.700 5.763 ( 22.686 -9.274 0.000) 24.508 6.108 ( 13.860 -1.619 0.000) 13.954 6.584 ( -3.809 14.232 0.000) 14.733 7.719 ( 9.679 11.252 0.000) 14.842 8.187 ( 0.619 3.952 0.000) 4.000 8.352 ( 10.826 -16.874 0.000) 20.049 8.668 ( 1.750 15.087 0.000) 15.188 8.893 ( -8.481 -8.102 0.000) 11.729 8.910 ( -7.059 -1.365 0.000) 7.190 9.244 ( -4.363 11.133 0.000) 11.957 9.670 ( -18.362 -8.470 0.000) 20.221 9.967 ( -7.642 -10.722 0.000) 13.166 10.124 ( 18.147 15.054 0.000) 23.579 11.739 ( 1.059 -8.031 0.000) 8.101 11.951 ( -10.513 1.232 0.000) 10.585 12.209 ( -6.605 5.732 0.000) 8.745 12.570 ( -6.438 7.142 0.000) 9.615 12.622 ( 5.897 -7.902 0.000) 9.860 13.215 ( -4.429 -1.623 0.000) 4.717 13.352 ( 20.074 -15.667 0.000) 25.463 14.197 ( 7.539 -3.880 0.000) 8.478 14.632 ( -16.416 -12.667 0.000) 20.735 15.414 ( -7.227 10.956 0.000) 13.125 15.823 ( -11.684 2.234 0.000) 11.896 16.249 ( -6.807 -8.640 0.000) 10.999 16.632 ( -11.875 6.781 0.000) 13.675 17.286 ( -26.146 -4.748 0.000) 26.574 19.706 ( 25.838 2.137 0.000) 25.926 20.782 ( 12.461 -19.312 0.000) 22.983 24.250 ( 3.493 -2.479 0.000) 4.283 24.557 ( 9.931 -23.527 0.000) 25.537 ======================= Grid point 14 (10/180) ======================= q-point: ( 0.27 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 37.118 7.480 0.000) 37.864 2.959 ( 37.372 6.825 0.000) 37.990 4.533 ( 0.659 -6.153 0.000) 6.189 4.986 ( 34.471 16.008 0.000) 38.007 5.131 ( 26.596 -0.227 0.000) 26.597 6.271 ( 27.170 -13.291 0.000) 30.246 6.358 ( 8.202 0.968 0.000) 8.259 6.575 ( 5.893 10.537 0.000) 12.073 7.858 ( -20.341 10.743 0.000) 23.004 7.939 ( 11.493 5.960 0.000) 12.946 8.548 ( -1.075 -12.063 0.000) 12.110 8.695 ( -2.186 14.101 0.000) 14.270 8.698 ( -10.590 -4.018 0.000) 11.327 8.938 ( 9.923 -1.611 0.000) 10.053 9.183 ( 0.127 14.421 0.000) 14.422 9.303 ( -17.886 -6.806 0.000) 19.137 9.787 ( -10.208 -9.604 0.000) 14.016 10.662 ( 34.010 -0.370 0.000) 34.012 11.451 ( -24.438 -4.022 0.000) 24.766 11.869 ( -2.330 -3.437 0.000) 4.152 12.095 ( -4.056 10.166 0.000) 10.945 12.441 ( -5.868 8.413 0.000) 10.257 12.715 ( 2.574 -5.113 0.000) 5.724 13.207 ( 2.990 -4.335 0.000) 5.266 13.715 ( 16.041 -12.056 0.000) 20.067 14.284 ( -17.207 -12.918 0.000) 21.517 14.382 ( 10.161 -9.099 0.000) 13.640 15.256 ( -8.370 16.553 0.000) 18.549 15.563 ( -13.500 4.637 0.000) 14.274 16.018 ( -15.964 -14.374 0.000) 21.481 16.392 ( -11.557 11.944 0.000) 16.620 16.826 ( -19.594 2.135 0.000) 19.710 20.174 ( 20.811 -0.710 0.000) 20.823 20.947 ( 4.936 -13.496 0.000) 14.371 24.334 ( 4.703 -3.604 0.000) 5.925 24.655 ( 1.536 -15.637 0.000) 15.712 ======================= Grid point 15 (11/180) ======================= q-point: ( 0.36 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 30.542 1.892 0.000) 30.600 3.644 ( 30.329 3.369 0.000) 30.515 4.492 ( -4.692 -3.372 0.000) 5.778 4.931 ( -8.399 5.376 0.000) 9.972 6.246 ( 50.283 2.987 0.000) 50.371 6.466 ( 6.202 9.003 0.000) 10.933 6.793 ( 12.293 2.037 0.000) 12.460 6.812 ( 26.241 -14.009 0.000) 29.746 7.438 ( -20.883 7.782 0.000) 22.286 8.108 ( 1.803 -7.103 0.000) 7.329 8.438 ( -5.487 -8.399 0.000) 10.032 8.497 ( -7.810 0.572 0.000) 7.831 8.738 ( 5.258 8.051 0.000) 9.615 8.986 ( -12.419 -0.372 0.000) 12.424 8.988 ( -1.761 5.591 0.000) 5.862 9.340 ( 12.628 7.990 0.000) 14.943 9.561 ( -12.350 -8.027 0.000) 14.729 10.869 ( -32.789 -2.966 0.000) 32.923 11.389 ( 35.017 -5.526 0.000) 35.450 11.811 ( -2.658 -0.350 0.000) 2.681 12.059 ( 1.690 6.006 0.000) 6.240 12.369 ( -0.457 9.380 0.000) 9.392 12.704 ( -3.771 -0.215 0.000) 3.777 13.238 ( -3.661 -11.985 0.000) 12.531 13.983 ( 10.107 -9.835 0.000) 14.102 14.008 ( -8.176 -16.351 0.000) 18.281 14.571 ( 8.055 -14.472 0.000) 16.563 15.086 ( -8.497 24.783 0.000) 26.199 15.333 ( -7.952 10.382 0.000) 13.078 15.662 ( -17.730 -19.115 0.000) 26.072 16.194 ( -7.597 16.143 0.000) 17.841 16.488 ( -14.770 10.598 0.000) 18.179 20.535 ( 15.309 -4.439 0.000) 15.939 20.993 ( -0.244 -11.767 0.000) 11.770 24.433 ( 5.022 -5.300 0.000) 7.302 24.652 ( -1.474 -12.162 0.000) 12.251 ======================= Grid point 16 (12/180) ======================= q-point: ( 0.45 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( 20.988 -4.307 0.000) 21.426 4.059 ( 3.475 -7.977 0.000) 8.701 4.437 ( 6.483 10.352 0.000) 12.214 4.709 ( -13.972 8.701 0.000) 16.460 6.658 ( 12.960 9.217 0.000) 15.903 6.883 ( 5.733 3.871 0.000) 6.917 6.993 ( 6.416 2.061 0.000) 6.739 7.043 ( -8.597 12.161 0.000) 14.893 7.382 ( 27.209 -21.517 0.000) 34.689 7.891 ( -21.073 -16.863 0.000) 26.990 8.403 ( 1.550 -8.331 0.000) 8.473 8.436 ( -0.898 -2.323 0.000) 2.490 8.837 ( 1.915 9.814 0.000) 9.999 8.850 ( -1.766 7.992 0.000) 8.185 9.032 ( 9.479 -1.140 0.000) 9.548 9.296 ( -14.041 -6.697 0.000) 15.556 9.652 ( 20.218 4.515 0.000) 20.716 10.193 ( -32.762 0.600 0.000) 32.767 11.779 ( 3.125 9.232 0.000) 9.747 11.784 ( -0.024 5.010 0.000) 5.010 12.362 ( 24.520 -9.906 0.000) 26.445 12.447 ( 11.720 -0.472 0.000) 11.730 12.577 ( -8.156 7.149 0.000) 10.846 12.960 ( -23.466 -23.682 0.000) 33.339 13.993 ( 4.713 -14.545 0.000) 15.289 14.078 ( -1.100 -11.593 0.000) 11.646 14.719 ( 8.106 -7.100 0.000) 10.775 14.907 ( -9.739 16.979 0.000) 19.574 15.275 ( 1.650 9.523 0.000) 9.665 15.381 ( -9.393 -8.712 0.000) 12.811 16.120 ( 0.910 17.505 0.000) 17.529 16.235 ( -9.981 15.675 0.000) 18.583 20.788 ( 10.039 -7.908 0.000) 12.779 20.939 ( -5.101 -10.341 0.000) 11.531 24.528 ( 4.406 -7.437 0.000) 8.644 24.605 ( -3.167 -9.750 0.000) 10.251 ======================= Grid point 22 (13/180) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 0.000 34.652 0.000) 34.652 1.694 ( 0.000 37.166 0.000) 37.166 3.396 ( 0.000 79.853 0.000) 79.853 4.253 ( 0.000 -7.712 0.000) 7.712 4.899 ( 0.000 -13.884 0.000) 13.884 5.697 ( 0.000 31.986 0.000) 31.986 5.830 ( 0.000 3.751 0.000) 3.751 6.044 ( 0.000 2.399 0.000) 2.399 7.068 ( 0.000 22.087 0.000) 22.087 7.917 ( 0.000 24.153 0.000) 24.153 8.668 ( 0.000 8.101 0.000) 8.101 8.694 ( 0.000 -24.091 0.000) 24.091 9.112 ( 0.000 10.602 0.000) 10.602 9.242 ( 0.000 5.125 0.000) 5.125 9.487 ( 0.000 8.248 0.000) 8.248 9.712 ( 0.000 -26.725 0.000) 26.725 10.005 ( 0.000 -11.021 0.000) 11.021 10.769 ( 0.000 7.452 0.000) 7.452 11.327 ( 0.000 -7.491 0.000) 7.491 11.504 ( 0.000 9.597 0.000) 9.597 12.125 ( 0.000 -18.850 0.000) 18.850 12.322 ( 0.000 2.769 0.000) 2.769 12.761 ( 0.000 -8.232 0.000) 8.232 12.892 ( 0.000 10.138 0.000) 10.138 13.346 ( 0.000 -6.646 0.000) 6.646 14.319 ( 0.000 8.246 0.000) 8.246 14.629 ( 0.000 -19.508 0.000) 19.508 15.742 ( 0.000 6.072 0.000) 6.072 16.080 ( 0.000 0.253 0.000) 0.253 16.086 ( 0.000 -14.137 0.000) 14.137 17.052 ( 0.000 6.667 0.000) 6.667 18.125 ( 0.000 -11.232 0.000) 11.232 18.847 ( 0.000 8.642 0.000) 8.642 19.317 ( 0.000 -0.091 0.000) 0.091 23.555 ( 0.000 4.112 0.000) 4.112 24.126 ( 0.000 -3.536 0.000) 3.536 ======================= Grid point 23 (14/180) ======================= q-point: ( 0.09 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 15.360 29.350 0.000) 33.126 1.943 ( 22.860 30.530 0.000) 38.140 3.666 ( 25.681 65.275 0.000) 70.145 4.278 ( 2.288 -7.960 0.000) 8.282 5.179 ( 17.672 -6.755 0.000) 18.919 5.635 ( -5.853 24.228 0.000) 24.925 5.901 ( 6.903 2.561 0.000) 7.363 6.729 ( 55.571 -20.228 0.000) 59.138 7.032 ( -3.468 21.739 0.000) 22.014 7.933 ( 1.764 20.595 0.000) 20.670 8.691 ( -0.568 -20.540 0.000) 20.548 8.696 ( 1.565 11.748 0.000) 11.852 8.904 ( -16.457 -0.311 0.000) 16.460 9.192 ( -3.247 13.179 0.000) 13.573 9.527 ( 1.175 12.559 0.000) 12.614 9.630 ( -8.346 -26.083 0.000) 27.386 9.899 ( -8.653 -9.502 0.000) 12.851 10.535 ( -10.560 20.928 0.000) 23.441 11.424 ( 7.931 -9.318 0.000) 12.236 11.989 ( 30.094 -6.924 0.000) 30.881 12.104 ( -4.378 -11.456 0.000) 12.264 12.317 ( 1.389 -4.987 0.000) 5.177 12.758 ( 0.620 -4.397 0.000) 4.440 12.872 ( -1.168 8.192 0.000) 8.275 13.284 ( -5.363 -4.992 0.000) 7.327 14.209 ( -7.135 7.081 0.000) 10.052 14.555 ( -7.366 -18.280 0.000) 19.708 15.703 ( -3.431 6.488 0.000) 7.340 16.034 ( -4.843 1.262 0.000) 5.005 16.095 ( -0.141 -13.464 0.000) 13.465 16.942 ( -8.015 5.913 0.000) 9.960 17.698 ( -29.719 -9.134 0.000) 31.091 19.245 ( 27.231 5.306 0.000) 27.743 19.805 ( 34.259 -16.013 0.000) 37.817 23.794 ( 19.421 -6.272 0.000) 20.409 24.141 ( 1.396 -3.685 0.000) 3.941 ======================= Grid point 24 (15/180) ======================= q-point: ( 0.18 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 28.279 18.665 0.000) 33.883 2.509 ( 31.737 20.019 0.000) 37.523 4.333 ( 2.843 -8.419 0.000) 8.886 4.346 ( 40.423 35.134 0.000) 53.558 5.453 ( -6.884 21.793 0.000) 22.854 5.597 ( 20.543 -4.755 0.000) 21.086 6.095 ( 12.100 0.181 0.000) 12.101 6.945 ( -4.670 20.589 0.000) 21.112 7.738 ( 39.516 -28.216 0.000) 48.556 7.990 ( 3.549 12.473 0.000) 12.968 8.474 ( -19.688 6.788 0.000) 20.825 8.658 ( -3.065 -13.810 0.000) 14.146 8.821 ( 4.560 5.264 0.000) 6.964 9.097 ( -5.928 14.390 0.000) 15.563 9.392 ( -14.106 -20.083 0.000) 24.542 9.530 ( 0.347 18.395 0.000) 18.398 9.730 ( -7.839 -9.753 0.000) 12.513 10.463 ( 3.059 17.125 0.000) 17.396 11.548 ( 1.476 -10.903 0.000) 11.002 11.912 ( -12.569 -5.454 0.000) 13.701 12.355 ( 5.783 7.157 0.000) 9.201 12.407 ( 6.303 -12.646 0.000) 14.129 12.751 ( -3.349 9.201 0.000) 9.792 13.004 ( 17.040 -14.732 0.000) 22.525 13.180 ( -4.023 -1.718 0.000) 4.374 14.137 ( 0.260 -0.507 0.000) 0.570 14.339 ( -13.928 -15.765 0.000) 21.036 15.626 ( -3.897 7.396 0.000) 8.360 15.889 ( -9.169 4.095 0.000) 10.042 16.018 ( -9.023 -11.956 0.000) 14.979 16.789 ( -7.044 7.605 0.000) 10.366 17.154 ( -22.391 -7.860 0.000) 23.731 19.756 ( 22.874 2.519 0.000) 23.012 20.344 ( 18.510 -21.167 0.000) 28.118 24.144 ( 13.203 -15.076 0.000) 20.040 24.180 ( 2.455 -4.358 0.000) 5.002 ======================= Grid point 25 (16/180) ======================= q-point: ( 0.27 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 30.153 10.349 0.000) 31.879 3.156 ( 31.701 11.796 0.000) 33.825 4.384 ( 2.267 -7.222 0.000) 7.570 5.170 ( 21.577 4.753 0.000) 22.095 5.317 ( 14.952 11.781 0.000) 19.035 6.121 ( 28.775 4.305 0.000) 29.095 6.363 ( 14.037 -0.644 0.000) 14.052 6.873 ( -1.830 17.774 0.000) 17.868 8.040 ( 0.076 1.273 0.000) 1.275 8.064 ( -20.073 5.311 0.000) 20.764 8.257 ( 12.574 -16.835 0.000) 21.012 8.562 ( -6.291 -9.180 0.000) 11.129 8.811 ( -6.142 5.181 0.000) 8.036 9.061 ( 2.212 7.488 0.000) 7.808 9.131 ( -10.711 -10.247 0.000) 14.823 9.574 ( -8.107 -8.593 0.000) 11.813 9.578 ( 4.274 24.625 0.000) 24.993 10.668 ( 18.002 1.262 0.000) 18.046 11.325 ( -22.649 -8.425 0.000) 24.166 11.781 ( -0.237 -4.752 0.000) 4.758 12.372 ( -1.693 15.931 0.000) 16.021 12.511 ( 2.884 -15.469 0.000) 15.735 12.665 ( -4.362 12.942 0.000) 13.658 13.135 ( -1.147 -1.700 0.000) 2.051 13.389 ( 18.916 -18.902 0.000) 26.742 14.026 ( -16.055 -12.316 0.000) 20.235 14.190 ( 3.888 -7.991 0.000) 8.887 15.548 ( -5.251 -0.612 0.000) 5.287 15.704 ( -8.081 9.127 0.000) 12.190 15.732 ( -16.777 -0.831 0.000) 16.797 16.658 ( -6.138 12.551 0.000) 13.971 16.827 ( -11.318 -2.467 0.000) 11.584 20.146 ( 16.040 -2.270 0.000) 16.199 20.587 ( 7.035 -20.517 0.000) 21.690 24.234 ( 2.872 -5.910 0.000) 6.571 24.313 ( 4.567 -15.888 0.000) 16.531 ======================= Grid point 26 (17/180) ======================= q-point: ( 0.36 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 23.440 3.190 0.000) 23.656 3.710 ( 20.963 1.631 0.000) 21.026 4.449 ( 6.006 1.300 0.000) 6.145 5.081 ( -6.857 9.411 0.000) 11.644 6.136 ( 41.270 -18.001 0.000) 45.024 6.629 ( 12.008 2.740 0.000) 12.316 6.681 ( 25.204 8.498 0.000) 26.598 6.894 ( 4.145 10.073 0.000) 10.893 7.663 ( -19.150 10.116 0.000) 21.658 7.930 ( -11.870 -9.935 0.000) 15.479 8.317 ( -3.952 -2.379 0.000) 4.613 8.442 ( -4.894 -5.867 0.000) 7.641 8.778 ( 4.633 -4.314 0.000) 6.331 8.988 ( -3.784 -1.235 0.000) 3.981 9.061 ( -2.355 3.294 0.000) 4.050 9.394 ( -10.098 -5.998 0.000) 11.745 9.670 ( 5.109 22.606 0.000) 23.177 10.789 ( -28.956 -4.603 0.000) 29.320 11.158 ( 28.953 -15.773 0.000) 32.971 11.819 ( 3.649 1.446 0.000) 3.925 12.298 ( -6.179 15.720 0.000) 16.891 12.492 ( -5.322 -23.237 0.000) 23.839 12.615 ( 0.188 14.179 0.000) 14.181 13.057 ( -8.597 -1.682 0.000) 8.760 13.720 ( 13.090 -15.520 0.000) 20.303 13.784 ( -5.833 -7.048 0.000) 9.148 14.262 ( 3.769 -14.239 0.000) 14.730 15.232 ( -22.255 -20.301 0.000) 30.123 15.599 ( 0.436 23.196 0.000) 23.200 15.608 ( -1.210 15.970 0.000) 16.016 16.544 ( -5.021 16.566 0.000) 17.310 16.646 ( -7.680 4.532 0.000) 8.918 20.405 ( 10.105 -8.349 0.000) 13.108 20.661 ( 1.018 -20.025 0.000) 20.051 24.290 ( 2.552 -8.306 0.000) 8.689 24.360 ( 0.747 -14.969 0.000) 14.988 ======================= Grid point 27 (18/180) ======================= q-point: ( 0.45 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( 13.883 -4.171 0.000) 14.496 3.894 ( -1.787 -8.129 0.000) 8.323 4.676 ( 14.797 13.245 0.000) 19.859 4.930 ( -9.497 12.475 0.000) 15.678 6.809 ( 22.145 -29.125 0.000) 36.588 6.846 ( 9.920 2.361 0.000) 10.197 7.003 ( 4.542 0.389 0.000) 4.559 7.020 ( 5.518 7.898 0.000) 9.635 7.371 ( -4.725 15.962 0.000) 16.647 7.599 ( -19.191 -7.069 0.000) 20.452 8.276 ( 1.952 -2.639 0.000) 3.282 8.356 ( -4.388 -4.341 0.000) 6.172 8.927 ( 7.629 -7.974 0.000) 11.036 8.955 ( -0.050 -0.705 0.000) 0.706 9.010 ( -0.286 5.233 0.000) 5.241 9.175 ( -11.386 -2.793 0.000) 11.723 9.837 ( 13.244 13.580 0.000) 18.968 10.229 ( -25.334 3.287 0.000) 25.546 11.738 ( 26.625 -25.057 0.000) 36.562 11.922 ( 5.836 7.727 0.000) 9.683 12.145 ( -7.425 9.164 0.000) 11.795 12.271 ( -16.730 -33.492 0.000) 37.438 12.674 ( 5.412 13.939 0.000) 14.953 12.834 ( -10.783 9.688 0.000) 14.496 13.785 ( 3.762 -7.275 0.000) 8.190 13.850 ( -0.390 -10.621 0.000) 10.628 14.426 ( 14.086 -17.685 0.000) 22.609 14.790 ( -21.038 -18.069 0.000) 27.732 15.626 ( 1.576 20.938 0.000) 20.997 15.629 ( 1.386 23.155 0.000) 23.197 16.477 ( -1.082 16.354 0.000) 16.390 16.516 ( -4.809 11.395 0.000) 12.368 20.561 ( 5.782 -14.132 0.000) 15.269 20.643 ( -2.561 -18.207 0.000) 18.386 24.333 ( 1.741 -11.018 0.000) 11.155 24.358 ( -0.752 -13.366 0.000) 13.387 ======================= Grid point 33 (19/180) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.000 26.531 0.000) 26.531 2.355 ( 0.000 27.372 0.000) 27.372 4.092 ( 0.000 -7.269 0.000) 7.269 4.576 ( 0.000 -17.445 0.000) 17.445 4.931 ( 0.000 71.519 0.000) 71.519 5.924 ( 0.000 5.242 0.000) 5.242 6.089 ( 0.000 1.515 0.000) 1.515 6.430 ( 0.000 39.837 0.000) 39.837 7.551 ( 0.000 24.921 0.000) 24.921 8.106 ( 0.000 -34.152 0.000) 34.152 8.446 ( 0.000 26.816 0.000) 26.816 8.712 ( 0.000 -5.805 0.000) 5.805 9.049 ( 0.000 -38.422 0.000) 38.422 9.232 ( 0.000 3.687 0.000) 3.687 9.341 ( 0.000 4.758 0.000) 4.758 9.782 ( 0.000 -10.640 0.000) 10.640 9.819 ( 0.000 21.720 0.000) 21.720 10.953 ( 0.000 10.423 0.000) 10.423 11.119 ( 0.000 -13.677 0.000) 13.677 11.735 ( 0.000 -18.528 0.000) 18.528 11.749 ( 0.000 13.959 0.000) 13.959 12.338 ( 0.000 -1.686 0.000) 1.686 12.617 ( 0.000 -4.645 0.000) 4.645 13.132 ( 0.000 13.648 0.000) 13.648 13.143 ( 0.000 -13.114 0.000) 13.114 14.224 ( 0.000 -20.368 0.000) 20.368 14.555 ( 0.000 15.059 0.000) 15.059 15.749 ( 0.000 -18.855 0.000) 18.855 15.850 ( 0.000 4.827 0.000) 4.827 16.070 ( 0.000 -1.423 0.000) 1.423 17.207 ( 0.000 8.544 0.000) 8.544 17.876 ( 0.000 -12.902 0.000) 12.902 19.025 ( 0.000 8.482 0.000) 8.482 19.308 ( 0.000 -1.009 0.000) 1.009 23.655 ( 0.000 5.750 0.000) 5.750 24.037 ( 0.000 -5.298 0.000) 5.298 ======================= Grid point 34 (20/180) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 7.977 24.313 0.000) 25.588 2.514 ( 15.029 24.276 0.000) 28.551 4.122 ( 2.822 -6.233 0.000) 6.842 4.658 ( 7.225 6.345 0.000) 9.616 5.239 ( 24.791 38.887 0.000) 46.118 5.968 ( 4.468 3.856 0.000) 5.902 6.090 ( -5.000 13.020 0.000) 13.947 6.633 ( 24.869 15.458 0.000) 29.282 7.499 ( -5.014 23.153 0.000) 23.690 8.043 ( -4.221 -23.813 0.000) 24.184 8.493 ( 2.098 11.455 0.000) 11.645 8.712 ( -3.855 -9.729 0.000) 10.465 8.994 ( -10.435 8.060 0.000) 13.185 9.008 ( -3.353 -32.099 0.000) 32.274 9.424 ( 0.462 8.955 0.000) 8.967 9.722 ( -5.113 -7.622 0.000) 9.178 9.888 ( 5.075 22.091 0.000) 22.667 10.886 ( -5.208 14.710 0.000) 15.605 11.188 ( 5.933 -14.480 0.000) 15.648 11.778 ( 2.722 -17.756 0.000) 17.963 11.940 ( 17.022 0.864 0.000) 17.044 12.243 ( -7.912 -4.733 0.000) 9.220 12.690 ( 6.657 -0.195 0.000) 6.660 13.104 ( -2.805 13.622 0.000) 13.907 13.144 ( 0.049 -8.577 0.000) 8.577 14.175 ( -5.224 -19.190 0.000) 19.888 14.431 ( -10.409 15.007 0.000) 18.264 15.669 ( -6.631 -15.639 0.000) 16.987 15.908 ( 4.101 1.117 0.000) 4.251 16.049 ( -2.220 0.059 0.000) 2.221 17.064 ( -10.341 6.022 0.000) 11.967 17.501 ( -28.007 -9.725 0.000) 29.648 19.353 ( 24.046 5.089 0.000) 24.578 19.597 ( 22.581 -6.258 0.000) 23.432 23.762 ( 9.272 1.705 0.000) 9.428 24.051 ( 1.302 -5.117 0.000) 5.280 ======================= Grid point 35 (21/180) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 18.496 16.937 0.000) 25.079 2.905 ( 22.608 16.570 0.000) 28.030 4.200 ( 5.008 -2.496 0.000) 5.596 4.869 ( 14.307 8.331 0.000) 16.556 5.633 ( 4.359 14.537 0.000) 15.176 6.030 ( 10.618 32.382 0.000) 34.079 6.104 ( 9.031 0.364 0.000) 9.039 7.275 ( 33.357 -14.348 0.000) 36.312 7.372 ( -6.995 20.128 0.000) 21.309 7.977 ( -2.552 -16.707 0.000) 16.901 8.441 ( -18.537 -7.275 0.000) 19.914 8.457 ( -5.746 -10.074 0.000) 11.597 8.953 ( -1.711 -15.153 0.000) 15.249 8.987 ( 4.681 6.408 0.000) 7.936 9.347 ( -7.916 11.449 0.000) 13.919 9.617 ( -5.002 -1.958 0.000) 5.372 9.982 ( 4.874 25.001 0.000) 25.471 10.791 ( -3.992 15.484 0.000) 15.990 11.293 ( 1.956 -14.619 0.000) 14.749 11.731 ( -7.786 -12.161 0.000) 14.440 12.149 ( 0.397 -11.600 0.000) 11.607 12.331 ( 19.614 -11.158 0.000) 22.566 12.843 ( 7.869 6.260 0.000) 10.056 13.024 ( -4.647 11.609 0.000) 12.505 13.143 ( -0.235 -2.197 0.000) 2.209 14.008 ( -11.117 -16.820 0.000) 20.162 14.234 ( -7.597 10.976 0.000) 13.349 15.488 ( -11.823 -19.379 0.000) 22.701 15.981 ( -4.117 4.864 0.000) 6.372 15.984 ( 3.099 6.765 0.000) 7.441 16.901 ( -5.398 2.843 0.000) 6.100 16.992 ( -20.130 -7.359 0.000) 21.433 19.796 ( 18.625 1.215 0.000) 18.665 19.999 ( 15.372 -12.261 0.000) 19.663 23.952 ( 8.227 -4.715 0.000) 9.482 24.082 ( 1.637 -5.113 0.000) 5.369 ======================= Grid point 36 (22/180) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 22.897 8.348 0.000) 24.371 3.356 ( 20.649 5.054 0.000) 21.258 4.338 ( 9.649 5.749 0.000) 11.232 5.236 ( 22.007 -3.373 0.000) 22.264 5.490 ( -10.119 12.836 0.000) 16.345 6.317 ( 11.525 -4.505 0.000) 12.375 6.491 ( 27.410 27.653 0.000) 38.936 7.241 ( -5.640 17.312 0.000) 18.208 7.842 ( 21.629 -19.134 0.000) 28.878 7.904 ( -5.895 -13.803 0.000) 15.009 8.078 ( -15.919 -5.203 0.000) 16.747 8.328 ( -5.030 -15.959 0.000) 16.733 8.929 ( -1.033 -6.349 0.000) 6.432 9.032 ( -4.440 10.922 0.000) 11.790 9.144 ( -8.244 4.212 0.000) 9.258 9.512 ( -6.120 1.032 0.000) 6.206 10.107 ( 6.889 25.840 0.000) 26.743 10.735 ( -0.702 6.458 0.000) 6.496 11.120 ( -18.554 -11.625 0.000) 21.895 11.684 ( 4.828 -6.035 0.000) 7.729 12.150 ( -3.215 -16.643 0.000) 16.950 12.605 ( 5.452 -0.182 0.000) 5.455 12.927 ( -2.495 12.670 0.000) 12.913 13.066 ( 14.163 -6.825 0.000) 15.722 13.130 ( -1.291 0.317 0.000) 1.330 13.779 ( -9.903 -12.360 0.000) 15.838 14.131 ( -3.660 3.559 0.000) 5.106 15.192 ( -17.403 -22.004 0.000) 28.054 15.918 ( -1.227 11.759 0.000) 11.823 16.029 ( 1.639 17.418 0.000) 17.495 16.730 ( -6.908 -6.670 0.000) 9.602 16.834 ( -1.960 3.668 0.000) 4.159 20.080 ( 10.010 -4.048 0.000) 10.798 20.201 ( 5.446 -15.771 0.000) 16.685 24.066 ( 3.343 -8.243 0.000) 8.895 24.110 ( 1.023 -6.046 0.000) 6.132 ======================= Grid point 37 (23/180) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( 17.157 2.346 0.000) 17.317 3.664 ( 9.346 -5.733 0.000) 10.964 4.613 ( 17.446 14.689 0.000) 22.806 5.320 ( -6.199 14.654 0.000) 15.911 5.728 ( 25.633 -19.153 0.000) 31.998 6.520 ( 7.096 -12.804 0.000) 14.639 6.996 ( 20.594 18.937 0.000) 27.977 7.160 ( -2.167 13.645 0.000) 13.816 7.747 ( -8.163 -6.959 0.000) 10.727 7.760 ( -11.292 0.583 0.000) 11.307 8.213 ( 11.400 -11.620 0.000) 16.278 8.285 ( 0.045 -9.679 0.000) 9.679 8.813 ( -9.938 11.066 0.000) 14.873 8.904 ( -1.602 -4.482 0.000) 4.760 9.079 ( -2.405 -1.797 0.000) 3.002 9.355 ( -9.544 -0.157 0.000) 9.545 10.174 ( -1.003 26.108 0.000) 26.127 10.695 ( -21.653 -4.602 0.000) 22.137 10.836 ( 11.785 -14.215 0.000) 18.465 11.798 ( 0.072 -16.384 0.000) 16.384 12.020 ( -3.934 -6.441 0.000) 7.547 12.589 ( -5.520 9.860 0.000) 11.300 12.893 ( -0.163 11.799 0.000) 11.801 13.083 ( -3.354 2.045 0.000) 3.928 13.408 ( 17.463 -12.571 0.000) 21.517 13.664 ( -1.642 -5.875 0.000) 6.100 14.061 ( -3.045 -4.346 0.000) 5.306 14.812 ( -20.101 -20.673 0.000) 28.834 15.949 ( 4.015 17.272 0.000) 17.733 16.065 ( 2.034 22.500 0.000) 22.592 16.663 ( -0.858 -2.849 0.000) 2.975 16.796 ( -2.369 6.883 0.000) 7.279 20.212 ( 3.687 -10.135 0.000) 10.785 20.254 ( 0.733 -18.152 0.000) 18.167 24.103 ( 0.803 -9.728 0.000) 9.761 24.121 ( 0.168 -7.767 0.000) 7.769 ======================= Grid point 38 (24/180) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 8.050 -2.215 0.000) 8.349 3.745 ( -0.451 -6.260 0.000) 6.276 4.967 ( 15.776 15.336 0.000) 22.002 5.198 ( -7.602 14.233 0.000) 16.136 6.214 ( 21.494 -27.908 0.000) 35.226 6.524 ( -7.985 -25.246 0.000) 26.479 7.161 ( 2.176 9.637 0.000) 9.880 7.207 ( 0.460 9.215 0.000) 9.226 7.645 ( -1.423 7.250 0.000) 7.388 7.648 ( -0.854 10.446 0.000) 10.481 8.296 ( 0.428 -1.497 0.000) 1.557 8.300 ( -0.200 2.394 0.000) 2.403 8.776 ( 4.679 -3.460 0.000) 5.819 8.861 ( -2.883 -4.696 0.000) 5.511 9.047 ( 0.702 -1.345 0.000) 1.517 9.154 ( -9.276 -1.918 0.000) 9.473 10.154 ( 1.961 16.462 0.000) 16.579 10.318 ( -14.524 4.916 0.000) 15.333 11.156 ( 18.596 -27.636 0.000) 33.310 11.540 ( -18.847 -32.717 0.000) 37.758 12.167 ( 12.348 12.293 0.000) 17.424 12.414 ( -11.340 13.327 0.000) 17.499 12.928 ( 3.284 9.815 0.000) 10.350 13.006 ( -4.136 6.203 0.000) 7.456 13.666 ( 5.669 -7.016 0.000) 9.020 13.677 ( 1.727 -3.790 0.000) 4.165 14.094 ( 9.454 -13.610 0.000) 16.571 14.410 ( -19.403 -18.378 0.000) 26.725 16.044 ( 4.341 19.585 0.000) 20.060 16.091 ( -0.146 21.615 0.000) 21.616 16.675 ( 1.999 4.117 0.000) 4.577 16.735 ( -3.473 8.251 0.000) 8.952 20.250 ( 0.677 -15.452 0.000) 15.467 20.256 ( -0.127 -18.362 0.000) 18.363 24.112 ( 0.342 -10.103 0.000) 10.109 24.119 ( -0.303 -9.382 0.000) 9.386 ======================= Grid point 44 (25/180) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 0.000 14.337 0.000) 14.337 2.731 ( 0.000 7.793 0.000) 7.793 4.027 ( 0.000 2.901 0.000) 2.901 4.230 ( 0.000 -15.529 0.000) 15.529 6.026 ( 0.000 4.465 0.000) 4.465 6.090 ( 0.000 -1.579 0.000) 1.579 6.257 ( 0.000 59.182 0.000) 59.182 7.283 ( 0.000 44.335 0.000) 44.335 7.309 ( 0.000 -45.275 0.000) 45.275 8.044 ( 0.000 23.211 0.000) 23.211 8.195 ( 0.000 -44.979 0.000) 44.979 8.462 ( 0.000 -17.502 0.000) 17.502 8.939 ( 0.000 20.508 0.000) 20.508 9.221 ( 0.000 -6.712 0.000) 6.712 9.445 ( 0.000 5.900 0.000) 5.900 9.588 ( 0.000 -8.403 0.000) 8.403 10.290 ( 0.000 24.123 0.000) 24.123 10.760 ( 0.000 -21.456 0.000) 21.456 11.173 ( 0.000 11.148 0.000) 11.148 11.413 ( 0.000 -13.321 0.000) 13.321 12.030 ( 0.000 12.948 0.000) 12.948 12.243 ( 0.000 -7.766 0.000) 7.766 12.627 ( 0.000 6.340 0.000) 6.340 12.851 ( 0.000 -14.423 0.000) 14.423 13.443 ( 0.000 17.120 0.000) 17.120 13.817 ( 0.000 -19.678 0.000) 19.678 14.915 ( 0.000 20.107 0.000) 20.107 15.340 ( 0.000 -21.262 0.000) 21.262 15.943 ( 0.000 4.355 0.000) 4.355 16.021 ( 0.000 -3.286 0.000) 3.286 17.396 ( 0.000 10.233 0.000) 10.233 17.621 ( 0.000 -12.023 0.000) 12.023 19.175 ( 0.000 6.097 0.000) 6.097 19.268 ( 0.000 -3.149 0.000) 3.149 23.782 ( 0.000 6.650 0.000) 6.650 23.916 ( 0.000 -6.486 0.000) 6.486 ======================= Grid point 45 (26/180) ======================= q-point: ( 0.09 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 5.655 14.941 0.000) 15.975 2.830 ( 9.170 4.720 0.000) 10.313 4.109 ( 7.913 6.985 0.000) 10.555 4.390 ( 14.054 -18.192 0.000) 22.988 6.043 ( 1.670 3.126 0.000) 3.544 6.052 ( -2.693 7.993 0.000) 8.434 6.414 ( 13.681 44.046 0.000) 46.121 7.243 ( -2.346 37.883 0.000) 37.956 7.330 ( 2.382 -40.480 0.000) 40.550 7.907 ( -10.343 -1.825 0.000) 10.503 8.191 ( -2.914 -17.102 0.000) 17.349 8.437 ( -4.480 -16.748 0.000) 17.337 8.938 ( -0.066 12.390 0.000) 12.391 9.075 ( -7.232 -0.778 0.000) 7.274 9.550 ( 4.266 3.509 0.000) 5.523 9.607 ( 1.339 -3.646 0.000) 3.884 10.365 ( 6.536 24.164 0.000) 25.032 10.829 ( 6.141 -20.974 0.000) 21.855 11.162 ( -1.424 13.219 0.000) 13.296 11.442 ( 1.983 -15.056 0.000) 15.186 11.991 ( -0.730 4.306 0.000) 4.367 12.115 ( -9.393 -7.235 0.000) 11.857 12.771 ( 11.412 7.543 0.000) 13.679 12.954 ( 7.607 -9.787 0.000) 12.396 13.416 ( -2.942 17.175 0.000) 17.425 13.786 ( -3.489 -19.126 0.000) 19.442 14.803 ( -10.237 21.213 0.000) 23.554 15.255 ( -8.225 -22.660 0.000) 24.106 15.977 ( 3.608 3.539 0.000) 5.054 16.032 ( 1.137 -1.791 0.000) 2.122 17.185 ( -16.160 6.107 0.000) 17.275 17.323 ( -23.138 -7.787 0.000) 24.414 19.442 ( 20.390 3.673 0.000) 20.718 19.508 ( 18.787 -3.298 0.000) 19.075 23.832 ( 4.395 4.765 0.000) 6.482 23.940 ( 2.095 -5.667 0.000) 6.042 ======================= Grid point 46 (27/180) ======================= q-point: ( 0.18 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 11.654 13.554 0.000) 17.875 3.060 ( 12.953 -2.295 0.000) 13.155 4.328 ( 13.560 15.450 0.000) 20.557 4.707 ( 16.300 -17.992 0.000) 24.277 5.973 ( -5.624 11.842 0.000) 13.110 6.093 ( 3.213 -2.052 0.000) 3.812 6.745 ( 17.982 36.755 0.000) 40.918 7.280 ( 7.824 15.701 0.000) 17.542 7.412 ( 5.548 -26.629 0.000) 27.201 7.704 ( -8.799 -9.969 0.000) 13.297 8.069 ( -8.104 -8.537 0.000) 11.771 8.239 ( -14.033 -12.176 0.000) 18.579 8.935 ( -0.348 5.290 0.000) 5.302 9.020 ( 0.367 -2.213 0.000) 2.243 9.546 ( -4.651 7.004 0.000) 8.408 9.611 ( -1.703 -0.178 0.000) 1.713 10.491 ( 4.807 24.565 0.000) 25.031 10.945 ( 3.000 -19.992 0.000) 20.216 11.108 ( -3.958 16.285 0.000) 16.759 11.440 ( -2.220 -16.039 0.000) 16.192 11.999 ( -0.684 -2.053 0.000) 2.164 12.085 ( 10.112 -9.953 0.000) 14.189 12.983 ( 8.322 5.900 0.000) 10.201 13.081 ( 4.349 -3.963 0.000) 5.884 13.318 ( -6.336 16.734 0.000) 17.893 13.665 ( -8.233 -17.175 0.000) 19.046 14.568 ( -11.801 21.011 0.000) 24.098 15.033 ( -13.214 -23.925 0.000) 27.332 16.072 ( 3.101 3.625 0.000) 4.771 16.094 ( 8.078 2.352 0.000) 8.414 16.894 ( -17.630 -1.738 0.000) 17.716 16.906 ( -10.147 -1.518 0.000) 10.260 19.809 ( 14.447 0.521 0.000) 14.456 19.844 ( 12.696 -3.816 0.000) 13.257 23.924 ( 4.015 1.304 0.000) 4.221 23.984 ( 1.931 -4.277 0.000) 4.693 ======================= Grid point 47 (28/180) ======================= q-point: ( 0.27 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 15.535 8.159 0.000) 17.547 3.319 ( 12.391 -6.788 0.000) 14.129 4.634 ( 16.669 20.544 0.000) 26.456 5.029 ( 16.110 -16.102 0.000) 22.778 5.836 ( -7.415 18.516 0.000) 19.946 6.155 ( 2.313 -12.016 0.000) 12.237 7.090 ( 16.015 29.415 0.000) 33.492 7.476 ( -2.338 0.081 0.000) 2.339 7.559 ( 18.610 -6.465 0.000) 19.701 7.619 ( 1.861 -11.193 0.000) 11.347 7.944 ( -1.699 -14.666 0.000) 14.764 7.945 ( -13.865 -7.027 0.000) 15.544 8.922 ( -1.035 3.989 0.000) 4.122 9.027 ( -0.412 -5.154 0.000) 5.170 9.373 ( -12.163 11.382 0.000) 16.658 9.516 ( -8.048 -2.605 0.000) 8.459 10.555 ( 2.404 17.816 0.000) 17.977 10.863 ( -10.482 -13.720 0.000) 17.267 10.983 ( -9.501 18.526 0.000) 20.820 11.409 ( -2.082 -20.806 0.000) 20.910 12.051 ( 4.906 7.605 0.000) 9.050 12.338 ( 13.105 -18.086 0.000) 22.335 13.070 ( 0.247 3.628 0.000) 3.636 13.122 ( -0.018 -1.431 0.000) 1.431 13.238 ( 0.827 14.759 0.000) 14.782 13.522 ( -4.076 -13.284 0.000) 13.896 14.344 ( -11.090 16.507 0.000) 19.886 14.743 ( -15.648 -21.864 0.000) 26.887 16.160 ( 5.576 11.458 0.000) 12.742 16.290 ( 11.049 3.599 0.000) 11.620 16.634 ( -8.844 1.676 0.000) 9.002 16.787 ( -2.277 -7.729 0.000) 8.057 19.998 ( 3.192 -4.198 0.000) 5.274 20.000 ( 4.911 -3.154 0.000) 5.837 23.976 ( 1.193 -1.062 0.000) 1.597 24.007 ( 0.278 -3.726 0.000) 3.736 ======================= Grid point 48 (29/180) ======================= q-point: ( 0.36 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( 12.750 2.543 0.000) 13.001 3.536 ( 8.765 -5.738 0.000) 10.476 4.978 ( 17.095 19.556 0.000) 25.975 5.353 ( 15.833 -17.211 0.000) 23.386 5.700 ( -5.765 20.874 0.000) 21.656 6.151 ( -3.473 -22.095 0.000) 22.366 7.341 ( 6.651 12.364 0.000) 14.039 7.386 ( -4.795 7.296 0.000) 8.731 7.676 ( 3.780 0.383 0.000) 3.800 7.746 ( -3.087 -2.329 0.000) 3.867 7.960 ( 19.194 -7.483 0.000) 20.601 8.054 ( 10.612 -11.885 0.000) 15.933 8.894 ( -1.689 3.494 0.000) 3.881 8.997 ( -2.461 -5.250 0.000) 5.798 9.099 ( -13.694 13.393 0.000) 19.154 9.301 ( -12.584 -6.111 0.000) 13.989 10.614 ( -12.757 -2.775 0.000) 13.056 10.615 ( 3.427 -0.580 0.000) 3.476 10.724 ( -14.641 21.853 0.000) 26.304 11.258 ( -12.946 -28.089 0.000) 30.929 12.207 ( 10.663 15.918 0.000) 19.159 12.543 ( 6.605 -13.955 0.000) 15.439 13.051 ( -1.162 4.676 0.000) 4.819 13.103 ( -1.457 -0.536 0.000) 1.552 13.361 ( 10.477 6.716 0.000) 12.445 13.526 ( 3.618 -7.938 0.000) 8.724 14.116 ( -11.247 9.733 0.000) 14.874 14.413 ( -17.086 -18.269 0.000) 25.014 16.281 ( 5.947 14.972 0.000) 16.110 16.492 ( 2.680 19.011 0.000) 19.199 16.534 ( 4.044 -9.748 0.000) 10.554 16.782 ( 0.853 -8.349 0.000) 8.392 20.007 ( -1.294 -5.256 0.000) 5.413 20.032 ( -0.904 -6.504 0.000) 6.567 23.981 ( -0.358 -2.383 0.000) 2.410 23.999 ( -0.879 -3.879 0.000) 3.977 ======================= Grid point 49 (30/180) ======================= q-point: ( 0.45 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 4.993 -0.358 0.000) 5.006 3.654 ( 2.774 -2.598 0.000) 3.801 5.291 ( 13.607 16.783 0.000) 21.606 5.499 ( -5.959 11.753 0.000) 13.177 5.740 ( 13.234 -14.577 0.000) 19.688 6.004 ( -11.078 -24.348 0.000) 26.749 7.321 ( -1.159 5.296 0.000) 5.421 7.343 ( -2.785 3.301 0.000) 4.319 7.776 ( 4.800 4.869 0.000) 6.837 7.796 ( 3.392 3.837 0.000) 5.121 8.258 ( 7.329 -2.657 0.000) 7.796 8.260 ( 8.418 -3.901 0.000) 9.278 8.857 ( -1.736 4.326 0.000) 4.661 8.875 ( -5.576 10.069 0.000) 11.510 8.975 ( 0.071 -5.149 0.000) 5.149 9.065 ( -9.285 -6.937 0.000) 11.590 10.410 ( -5.911 4.416 0.000) 7.379 10.440 ( -9.150 8.194 0.000) 12.282 10.751 ( 8.488 -7.323 0.000) 11.211 10.973 ( -13.570 -22.227 0.000) 26.042 12.434 ( 10.631 12.681 0.000) 16.548 12.582 ( -3.108 0.731 0.000) 3.193 13.044 ( 0.726 2.566 0.000) 2.667 13.071 ( -1.635 0.391 0.000) 1.681 13.589 ( 9.345 -0.483 0.000) 9.357 13.617 ( 4.205 -2.390 0.000) 4.837 13.943 ( -3.461 -0.147 0.000) 3.464 14.083 ( -14.698 -12.894 0.000) 19.552 16.383 ( 4.156 12.948 0.000) 13.599 16.449 ( -2.653 10.568 0.000) 10.896 16.696 ( 6.839 0.236 0.000) 6.843 16.782 ( -1.716 -3.568 0.000) 3.959 19.982 ( -0.481 -7.064 0.000) 7.081 19.997 ( -1.770 -7.977 0.000) 8.171 23.974 ( -0.102 -3.326 0.000) 3.328 23.981 ( -0.750 -3.877 0.000) 3.949 ======================= Grid point 99 (31/180) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.000 0.000 45.188) 45.188 1.140 ( 0.000 0.000 53.906) 53.906 1.857 ( 0.000 0.000 88.657) 88.657 4.725 ( 0.000 0.000 27.373) 27.373 4.996 ( 0.000 0.000 1.355) 1.355 5.162 ( 0.000 0.000 -3.219) 3.219 6.054 ( 0.000 0.000 5.487) 5.487 6.625 ( 0.000 0.000 6.983) 6.983 7.145 ( 0.000 0.000 -2.100) 2.100 7.913 ( 0.000 0.000 -44.772) 44.772 8.144 ( 0.000 0.000 -31.564) 31.564 8.922 ( 0.000 0.000 6.463) 6.463 9.108 ( 0.000 0.000 0.770) 0.770 9.235 ( 0.000 0.000 -16.510) 16.510 9.827 ( 0.000 0.000 32.425) 32.425 10.342 ( 0.000 0.000 6.581) 6.581 10.438 ( 0.000 0.000 15.932) 15.932 10.519 ( 0.000 0.000 -0.611) 0.611 10.818 ( 0.000 0.000 17.455) 17.455 11.462 ( 0.000 0.000 -1.012) 1.012 12.089 ( 0.000 0.000 -10.824) 10.824 12.535 ( 0.000 0.000 -5.218) 5.218 12.670 ( 0.000 0.000 0.267) 0.267 13.084 ( 0.000 0.000 10.732) 10.732 13.383 ( 0.000 0.000 -3.681) 3.681 14.184 ( 0.000 0.000 -0.583) 0.583 15.241 ( 0.000 0.000 -0.198) 0.198 15.318 ( 0.000 0.000 -11.257) 11.257 15.428 ( 0.000 0.000 -16.367) 16.367 16.103 ( 0.000 0.000 2.953) 2.953 16.507 ( 0.000 0.000 -30.100) 30.100 18.109 ( 0.000 0.000 -23.391) 23.391 19.119 ( 0.000 0.000 38.370) 38.370 21.087 ( 0.000 0.000 20.636) 20.636 24.020 ( 0.000 0.000 -4.010) 4.010 24.125 ( 0.000 0.000 -6.972) 6.972 ======================= Grid point 100 (32/180) ======================= q-point: ( 0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 29.222 0.000 34.530) 45.235 1.372 ( 28.674 0.000 33.838) 44.353 2.585 ( 57.275 0.000 64.236) 86.062 4.654 ( -3.268 0.000 15.884) 16.217 4.880 ( -4.439 0.000 -3.044) 5.382 5.408 ( 19.768 0.000 2.520) 19.928 6.134 ( 7.586 0.000 12.654) 14.754 6.585 ( -3.613 0.000 6.647) 7.565 7.295 ( 11.303 0.000 -7.416) 13.519 7.905 ( -1.083 0.000 -38.404) 38.419 8.123 ( -0.919 0.000 -28.755) 28.770 8.806 ( -9.693 0.000 -3.015) 10.151 9.042 ( -8.367 0.000 6.362) 10.511 9.185 ( -26.885 0.000 39.883) 48.098 9.362 ( 9.576 0.000 -13.606) 16.638 9.827 ( -0.093 0.000 35.431) 35.431 10.160 ( -13.961 0.000 5.220) 14.905 10.409 ( -3.924 0.000 15.996) 16.470 11.614 ( 12.227 0.000 -1.229) 12.288 11.946 ( 1.839 0.000 -20.412) 20.494 12.158 ( 22.888 0.000 -20.398) 30.658 12.405 ( -10.170 0.000 -0.492) 10.182 12.634 ( -3.935 0.000 0.329) 3.949 13.206 ( 6.292 0.000 1.669) 6.510 13.374 ( 2.751 0.000 2.449) 3.683 14.149 ( 1.777 0.000 3.037) 3.519 15.030 ( -12.144 0.000 -5.397) 13.290 15.269 ( -4.900 0.000 -12.141) 13.093 15.958 ( 8.488 0.000 -14.666) 16.945 16.089 ( 6.907 0.000 -6.756) 9.662 16.426 ( -7.815 0.000 -29.121) 30.151 17.823 ( -22.943 0.000 -13.027) 26.383 19.400 ( 22.504 0.000 27.375) 35.438 21.117 ( 2.729 0.000 19.487) 19.677 23.994 ( 1.943 0.000 -17.073) 17.183 24.543 ( 18.615 0.000 -15.451) 24.192 ======================= Grid point 101 (33/180) ======================= q-point: ( 0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 38.183 0.000 23.655) 44.916 2.114 ( 40.740 0.000 9.802) 41.903 3.843 ( 65.087 0.000 39.172) 75.965 4.647 ( 2.120 0.000 8.276) 8.543 4.867 ( 2.049 0.000 -10.422) 10.621 5.825 ( 19.557 0.000 -4.247) 20.013 6.337 ( 12.170 0.000 12.694) 17.586 6.517 ( -1.588 0.000 8.587) 8.733 7.547 ( 14.053 0.000 -6.005) 15.282 7.840 ( -6.484 0.000 -23.737) 24.606 8.147 ( 3.605 0.000 -25.227) 25.484 8.596 ( -9.733 0.000 -12.666) 15.974 8.878 ( -4.858 0.000 13.648) 14.487 9.001 ( -2.227 0.000 12.068) 12.272 9.468 ( -1.046 0.000 -8.419) 8.483 9.623 ( -21.521 0.000 15.598) 26.579 10.187 ( 20.503 0.000 17.396) 26.889 10.294 ( -7.493 0.000 15.936) 17.609 11.759 ( -14.463 0.000 -12.925) 19.397 11.838 ( 8.221 0.000 -1.231) 8.312 12.202 ( -9.191 0.000 3.422) 9.808 12.501 ( 2.782 0.000 -2.420) 3.687 12.531 ( 2.191 0.000 -10.028) 10.264 13.218 ( -0.176 0.000 -0.902) 0.919 13.582 ( 13.663 0.000 4.252) 14.309 14.261 ( 8.519 0.000 0.731) 8.550 14.739 ( -16.064 0.000 -3.511) 16.443 15.119 ( -10.202 0.000 -14.339) 17.598 15.814 ( -12.612 0.000 0.341) 12.616 16.212 ( -12.895 0.000 -26.899) 29.830 16.217 ( -0.366 0.000 -10.867) 10.873 17.328 ( -25.297 0.000 -5.417) 25.870 19.879 ( 23.906 0.000 18.906) 30.479 21.181 ( 3.241 0.000 16.598) 16.911 24.066 ( 4.877 0.000 -18.387) 19.023 24.737 ( 3.245 0.000 -10.445) 10.937 ======================= Grid point 102 (34/180) ======================= q-point: ( 0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 38.202 0.000 18.133) 42.287 2.907 ( 37.555 0.000 1.626) 37.590 4.699 ( 1.740 0.000 8.146) 8.330 4.825 ( 7.191 0.000 -3.933) 8.196 5.191 ( 53.444 0.000 12.100) 54.796 6.096 ( 6.944 0.000 -16.300) 17.718 6.594 ( 12.825 0.000 8.109) 15.174 6.616 ( 12.677 0.000 10.172) 16.254 7.616 ( -15.531 0.000 -12.790) 20.119 7.853 ( 15.920 0.000 -5.412) 16.815 8.269 ( 8.588 0.000 -15.644) 17.847 8.473 ( -1.949 0.000 -14.484) 14.614 8.761 ( -5.729 0.000 4.176) 7.089 9.063 ( 6.644 0.000 8.445) 10.746 9.132 ( -26.300 0.000 2.940) 26.464 9.356 ( -9.079 0.000 3.194) 9.625 10.115 ( -10.120 0.000 16.102) 19.017 10.768 ( 34.170 0.000 9.291) 35.411 11.387 ( -22.855 0.000 -9.763) 24.853 11.904 ( -1.489 0.000 -0.314) 1.521 12.067 ( -3.208 0.000 6.975) 7.677 12.371 ( -6.499 0.000 1.184) 6.606 12.683 ( 4.185 0.000 -5.863) 7.203 13.288 ( 6.875 0.000 2.453) 7.300 13.836 ( 10.831 0.000 -1.275) 10.906 14.394 ( -5.930 0.000 -4.761) 7.605 14.514 ( 5.422 0.000 1.438) 5.610 14.865 ( -14.782 0.000 -15.540) 21.447 15.519 ( -16.165 0.000 -0.097) 16.165 15.944 ( -12.853 0.000 -24.239) 27.436 16.109 ( -9.490 0.000 -7.186) 11.903 16.834 ( -23.908 0.000 -0.543) 23.914 20.327 ( 20.520 0.000 13.840) 24.751 21.230 ( 1.264 0.000 13.121) 13.182 24.181 ( 6.479 0.000 -17.453) 18.616 24.741 ( -1.968 0.000 -8.978) 9.192 ======================= Grid point 103 (35/180) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 33.075 0.000 16.129) 36.798 3.600 ( 31.557 0.000 -1.323) 31.585 4.667 ( -5.883 0.000 11.795) 13.181 4.793 ( -6.643 0.000 -7.068) 9.699 6.211 ( 7.204 0.000 -15.946) 17.498 6.225 ( 43.030 0.000 1.554) 43.058 6.828 ( 10.008 0.000 2.726) 10.372 6.909 ( 9.752 0.000 -2.268) 10.012 7.308 ( -8.942 0.000 -8.905) 12.620 8.148 ( 12.869 0.000 -7.836) 15.067 8.447 ( 5.484 0.000 0.972) 5.569 8.496 ( 0.573 0.000 -1.691) 1.785 8.600 ( -23.421 0.000 -9.078) 25.119 8.758 ( 10.133 0.000 3.190) 10.623 9.134 ( -12.510 0.000 6.497) 14.096 9.215 ( 8.009 0.000 -1.419) 8.134 9.902 ( -10.779 0.000 15.940) 19.242 10.842 ( -31.402 0.000 -5.405) 31.864 11.416 ( 25.524 0.000 -0.101) 25.524 11.830 ( -4.353 0.000 0.893) 4.444 12.136 ( 13.290 0.000 10.245) 16.780 12.284 ( -1.504 0.000 1.272) 1.970 12.667 ( -5.739 0.000 -1.289) 5.882 13.416 ( 2.410 0.000 4.904) 5.464 13.992 ( 5.061 0.000 -11.581) 12.639 14.285 ( 0.118 0.000 -2.925) 2.928 14.560 ( -14.463 0.000 -10.518) 17.883 14.721 ( 8.646 0.000 -2.024) 8.879 15.214 ( -11.651 0.000 -0.835) 11.681 15.747 ( -5.647 0.000 -19.585) 20.383 15.863 ( -14.528 0.000 -5.830) 15.654 16.378 ( -21.365 0.000 1.438) 21.413 20.692 ( 15.858 0.000 10.416) 18.973 21.222 ( -2.249 0.000 10.143) 10.390 24.318 ( 7.009 0.000 -16.082) 17.543 24.677 ( -4.201 0.000 -10.447) 11.260 ======================= Grid point 104 (36/180) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( 25.114 0.000 15.701) 29.618 4.162 ( 24.446 0.000 -2.857) 24.612 4.448 ( -15.923 0.000 14.715) 21.681 4.568 ( -15.880 0.000 -4.613) 16.536 6.423 ( 13.943 0.000 -14.500) 20.116 6.744 ( -16.963 0.000 -12.723) 21.204 6.821 ( 16.691 0.000 -6.054) 17.755 6.956 ( 1.419 0.000 -3.030) 3.345 7.532 ( 22.567 0.000 -6.024) 23.357 8.035 ( -26.742 0.000 -5.849) 27.374 8.359 ( 7.994 0.000 -4.951) 9.403 8.461 ( -2.319 0.000 0.796) 2.452 8.657 ( 9.366 0.000 -0.599) 9.385 8.879 ( -12.421 0.000 5.417) 13.551 9.145 ( 22.079 0.000 9.516) 24.043 9.362 ( 3.414 0.000 -2.425) 4.187 9.749 ( 1.293 0.000 10.412) 10.492 10.171 ( -33.356 0.000 -1.072) 33.373 11.684 ( 5.168 0.000 0.677) 5.212 11.755 ( -3.173 0.000 1.842) 3.669 12.327 ( 5.767 0.000 1.441) 5.944 12.494 ( -9.918 0.000 0.820) 9.952 12.646 ( 32.353 0.000 2.726) 32.467 13.227 ( -22.017 0.000 0.107) 22.017 14.116 ( 8.731 0.000 -12.035) 14.869 14.316 ( -10.581 0.000 -5.690) 12.014 14.406 ( 10.893 0.000 -2.595) 11.198 14.663 ( -12.548 0.000 -2.427) 12.780 15.241 ( 12.659 0.000 -2.936) 12.995 15.548 ( -16.384 0.000 -4.676) 17.038 15.755 ( 6.732 0.000 -10.679) 12.624 15.995 ( -16.350 0.000 -2.000) 16.472 20.961 ( 11.037 0.000 8.561) 13.968 21.135 ( -6.459 0.000 8.478) 10.658 24.455 ( 6.613 0.000 -14.484) 15.923 24.578 ( -5.611 0.000 -12.569) 13.764 ======================= Grid point 110 (37/180) ======================= q-point: ( 0.00 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.000 27.635 32.225) 42.452 1.401 ( 0.000 22.745 42.331) 48.055 2.493 ( 0.000 54.912 62.600) 83.271 4.676 ( 0.000 -4.264 24.287) 24.658 5.085 ( 0.000 -7.575 -3.412) 8.308 5.152 ( 0.000 14.245 1.350) 14.309 6.058 ( 0.000 0.617 4.834) 4.874 6.716 ( 0.000 5.030 10.009) 11.201 7.035 ( 0.000 -13.135 22.625) 26.162 7.955 ( 0.000 -25.912 44.817) 51.769 7.961 ( 0.000 5.453 -39.484) 39.859 8.293 ( 0.000 12.419 -34.253) 36.435 9.185 ( 0.000 3.612 3.510) 5.036 9.225 ( 0.000 -0.928 -16.114) 16.140 9.690 ( 0.000 -12.860 30.343) 32.955 10.186 ( 0.000 -12.882 3.780) 13.425 10.447 ( 0.000 -1.923 22.227) 22.310 10.847 ( 0.000 3.283 16.848) 17.164 10.979 ( 0.000 18.577 -21.834) 28.667 11.455 ( 0.000 -1.085 -0.281) 1.121 12.094 ( 0.000 0.266 -12.469) 12.472 12.365 ( 0.000 -12.706 -5.500) 13.845 12.762 ( 0.000 6.174 0.932) 6.244 13.067 ( 0.000 -1.844 12.739) 12.871 13.373 ( 0.000 -1.310 -3.882) 4.097 14.197 ( 0.000 1.776 -1.640) 2.418 14.974 ( 0.000 -16.645 -2.811) 16.881 15.502 ( 0.000 8.768 -8.498) 12.210 15.703 ( 0.000 14.347 -30.111) 33.354 16.106 ( 0.000 0.086 1.664) 1.666 16.546 ( 0.000 3.800 -30.163) 30.402 17.986 ( 0.000 -10.572 -22.005) 24.413 19.177 ( 0.000 5.511 38.364) 38.758 20.564 ( 0.000 -32.637 55.879) 64.713 23.695 ( 0.000 -13.735 9.087) 16.469 24.111 ( 0.000 -1.430 -6.691) 6.842 ======================= Grid point 111 (38/180) ======================= q-point: ( 0.09 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 20.200 22.315 30.982) 43.196 1.605 ( 25.306 20.738 25.936) 41.751 3.006 ( 44.466 39.180 51.019) 78.200 4.594 ( -3.163 -5.037 14.605) 15.769 5.045 ( -5.244 15.006 -2.350) 16.068 5.322 ( 17.724 -7.223 0.241) 19.141 6.148 ( 6.869 1.591 13.104) 14.881 6.710 ( -2.096 11.240 4.993) 12.476 7.319 ( 19.350 -3.108 -4.508) 20.110 7.929 ( -0.062 -6.279 -26.586) 27.317 8.116 ( 11.362 -9.267 18.841) 23.874 8.319 ( 2.170 7.265 -24.851) 25.982 9.001 ( -14.388 -5.881 -3.112) 15.852 9.202 ( -3.973 8.095 -4.799) 10.215 9.672 ( -3.248 -10.786 30.725) 32.725 9.994 ( -16.811 7.119 5.248) 18.995 10.117 ( -11.966 11.626 7.120) 18.140 10.382 ( -5.582 -0.948 21.026) 21.775 11.561 ( 9.745 -4.900 -0.968) 10.950 11.907 ( 15.758 -3.832 -20.563) 26.189 12.076 ( 9.684 -5.104 -11.058) 15.560 12.397 ( 0.300 -3.872 -4.770) 6.151 12.703 ( -4.898 6.171 0.963) 7.937 13.107 ( 5.962 -6.768 10.212) 13.625 13.333 ( -2.437 -3.297 -0.560) 4.138 14.151 ( -0.494 0.584 1.371) 1.570 14.870 ( -9.553 -13.957 -2.508) 17.098 15.351 ( -7.104 7.035 -16.958) 19.686 15.975 ( 2.258 0.562 -10.280) 10.541 16.104 ( 5.498 0.180 -7.355) 9.185 16.461 ( -7.796 3.010 -28.727) 29.917 17.744 ( -20.619 -7.119 -13.817) 25.821 19.440 ( 21.687 3.696 28.190) 35.759 20.793 ( 14.521 -25.364 33.064) 44.130 23.886 ( 9.293 -10.090 -13.304) 19.109 24.285 ( 15.981 -13.079 -1.307) 20.692 ======================= Grid point 112 (39/180) ======================= q-point: ( 0.18 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 33.234 12.726 22.122) 41.903 2.258 ( 36.390 12.925 9.945) 39.877 4.052 ( 56.816 19.361 31.973) 68.009 4.592 ( 2.336 -5.199 8.404) 10.154 4.987 ( -1.526 11.938 -8.248) 14.590 5.704 ( 19.657 -9.280 -3.125) 21.961 6.303 ( 8.336 -1.121 12.534) 15.095 6.673 ( -0.226 12.775 7.741) 14.939 7.651 ( 14.330 7.926 -10.407) 19.403 7.905 ( -3.721 2.358 -25.999) 26.370 8.318 ( 4.540 -1.834 -1.133) 5.025 8.340 ( 0.172 3.356 -19.682) 19.966 8.799 ( -1.504 -9.972 2.478) 10.385 9.082 ( -7.333 10.846 -0.738) 13.113 9.516 ( -13.775 -6.789 22.795) 27.486 9.676 ( -13.659 5.574 3.253) 15.107 10.153 ( 5.832 -3.379 13.406) 15.005 10.295 ( 3.891 4.295 15.667) 16.705 11.648 ( -5.772 -8.037 -9.976) 14.051 11.880 ( -1.582 1.725 -4.181) 4.792 12.218 ( -5.086 0.331 -1.198) 5.236 12.491 ( 11.002 -2.419 -8.866) 14.335 12.590 ( -6.303 6.789 0.755) 9.294 13.190 ( 0.782 -1.868 0.431) 2.070 13.438 ( 13.176 -13.058 5.643) 19.389 14.219 ( 6.554 -3.707 1.237) 7.630 14.617 ( -15.065 -11.141 -0.933) 18.760 15.200 ( -8.479 7.435 -19.481) 22.509 15.822 ( -12.167 0.818 -1.274) 12.261 16.146 ( -6.540 -6.526 -10.724) 14.155 16.288 ( -7.394 5.695 -23.854) 25.615 17.294 ( -22.414 -2.869 -5.135) 23.173 19.902 ( 22.802 1.923 19.127) 29.824 21.009 ( 7.315 -15.592 19.758) 26.211 24.018 ( 5.578 -4.690 -18.280) 19.679 24.540 ( 7.416 -15.348 -4.237) 17.565 ======================= Grid point 113 (40/180) ======================= q-point: ( 0.27 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 35.052 6.016 16.136) 39.054 2.986 ( 35.406 7.377 3.019) 36.292 4.639 ( 2.073 -5.400 8.441) 10.232 4.938 ( -1.760 9.086 -7.576) 11.960 5.215 ( 54.709 2.658 12.202) 56.116 6.061 ( 14.292 -3.228 -13.537) 19.948 6.494 ( 12.278 -3.010 8.848) 15.431 6.743 ( 7.298 8.578 11.544) 16.128 7.682 ( -15.183 6.787 -19.539) 25.658 7.950 ( 11.717 7.187 -0.751) 13.766 8.251 ( -3.167 -15.790 -11.523) 19.802 8.451 ( 7.016 13.903 -18.655) 24.301 8.853 ( -0.637 -4.396 -2.221) 4.967 8.942 ( -4.308 5.350 2.630) 7.355 9.151 ( -17.462 -2.312 7.640) 19.200 9.490 ( -7.309 8.979 12.429) 16.986 10.046 ( -9.206 -5.817 18.219) 21.225 10.734 ( 30.743 -2.511 7.043) 31.639 11.350 ( -21.591 -3.612 -9.693) 23.942 11.840 ( -3.897 -5.484 -2.231) 7.088 12.123 ( -2.955 5.282 2.469) 6.537 12.470 ( -4.927 8.748 1.866) 10.212 12.670 ( 5.914 -1.964 -3.049) 6.938 13.251 ( 5.276 -3.113 4.218) 7.437 13.692 ( 9.877 -12.797 -2.757) 16.399 14.311 ( -13.001 -8.783 2.662) 15.914 14.384 ( 8.402 -9.524 0.011) 12.700 15.016 ( -9.394 12.527 -21.419) 26.532 15.549 ( -13.986 2.936 -1.987) 14.428 15.897 ( -15.639 -10.101 -13.287) 22.873 16.148 ( -7.700 8.918 -15.203) 19.234 16.882 ( -18.699 3.809 -0.403) 19.087 20.321 ( 18.790 -0.864 13.993) 23.444 21.103 ( 2.371 -11.987 14.226) 18.753 24.134 ( 6.084 -4.568 -17.461) 19.047 24.603 ( -0.082 -12.027 -6.285) 13.571 ======================= Grid point 114 (41/180) ======================= q-point: ( 0.36 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 30.049 0.415 13.890) 33.107 3.647 ( 29.899 4.183 0.116) 30.191 4.624 ( -4.030 -3.899 11.727) 12.998 4.855 ( -6.151 5.890 -6.722) 10.850 6.209 ( 35.922 -3.671 -9.555) 37.352 6.288 ( 16.287 7.167 -10.024) 20.424 6.798 ( 14.708 -3.359 1.796) 15.193 6.932 ( 10.942 2.438 6.263) 12.841 7.326 ( -17.172 6.126 -10.682) 21.130 8.092 ( -2.166 -8.588 -1.310) 8.954 8.207 ( -0.301 -14.189 -12.740) 19.072 8.611 ( -8.061 2.564 2.801) 8.910 8.652 ( 5.432 12.783 -4.576) 14.624 8.946 ( 3.103 4.297 -1.081) 5.409 9.000 ( -0.554 -0.723 0.236) 0.941 9.370 ( -3.938 8.504 8.924) 12.941 9.854 ( -9.196 -3.495 17.501) 20.077 10.814 ( -30.355 -2.420 -5.190) 30.890 11.381 ( 29.252 -4.987 -0.931) 29.689 11.763 ( -2.820 -4.766 -3.508) 6.555 12.102 ( 2.472 -0.009 3.942) 4.653 12.426 ( 1.042 10.812 4.857) 11.898 12.713 ( -1.619 2.363 1.097) 3.068 13.294 ( -5.558 -12.249 5.208) 14.424 13.794 ( 3.069 -12.101 -11.249) 16.805 14.171 ( -0.790 -7.859 8.131) 11.336 14.540 ( 6.254 -14.584 -3.164) 16.181 14.854 ( -5.892 19.614 -19.527) 28.297 15.311 ( -8.857 8.642 -2.717) 12.669 15.570 ( -16.070 -15.789 -9.488) 24.445 16.011 ( -4.524 15.048 -13.047) 20.424 16.534 ( -16.383 11.073 0.571) 19.782 20.649 ( 13.997 -4.361 10.671) 18.133 21.109 ( -1.757 -10.865 10.755) 15.389 24.259 ( 6.274 -5.659 -15.952) 18.051 24.566 ( -3.198 -10.101 -8.867) 13.816 ======================= Grid point 115 (42/180) ======================= q-point: ( 0.45 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.963 ( 20.235 -5.744 13.051) 24.754 4.115 ( 11.901 -4.505 2.995) 13.073 4.515 ( -2.385 6.333 8.701) 11.023 4.676 ( -11.678 9.343 -2.980) 15.249 6.490 ( 13.444 5.526 -16.883) 22.278 6.756 ( -4.589 0.041 -14.902) 15.593 6.917 ( 8.355 7.799 -6.872) 13.336 7.034 ( -0.055 8.357 -4.185) 9.347 7.350 ( 20.012 -14.528 1.406) 24.769 7.801 ( -21.992 -18.097 -4.246) 28.795 8.280 ( 6.327 -9.596 -6.777) 13.343 8.427 ( -7.472 -1.615 -0.981) 7.707 8.832 ( 6.940 11.848 0.939) 13.763 8.942 ( -3.845 6.559 4.899) 9.045 9.176 ( 14.500 1.827 11.248) 18.442 9.342 ( -1.284 -1.720 2.445) 3.253 9.760 ( 4.959 1.839 9.595) 10.956 10.175 ( -31.142 0.652 -1.052) 31.166 11.708 ( 3.925 1.403 -5.997) 7.303 11.739 ( -0.254 0.830 -3.869) 3.966 12.369 ( 20.951 -7.814 0.675) 22.371 12.520 ( 8.876 1.844 6.208) 10.987 12.625 ( -4.916 8.354 4.000) 10.487 12.974 ( -23.602 -22.821 1.194) 32.852 13.936 ( 10.031 -9.501 -4.255) 14.456 14.122 ( -6.652 -9.177 2.299) 11.565 14.658 ( 6.763 -4.727 -6.178) 10.308 14.778 ( -3.786 13.515 -10.471) 17.511 15.208 ( -0.983 6.545 -6.576) 9.330 15.299 ( -9.854 -12.485 -7.475) 17.575 16.020 ( 5.982 18.193 -7.833) 20.692 16.228 ( -13.737 16.195 -1.995) 21.330 20.884 ( 9.566 -7.568 8.919) 15.110 21.035 ( -5.612 -9.740 8.929) 14.356 24.380 ( 5.749 -7.126 -14.017) 16.742 24.485 ( -4.730 -8.635 -11.611) 15.224 ======================= Grid point 121 (43/180) ======================= q-point: ( 0.00 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.000 29.668 17.391) 34.389 1.929 ( 0.000 27.360 28.159) 39.262 3.748 ( 0.000 63.174 33.622) 71.564 4.574 ( 0.000 -4.036 25.892) 26.205 4.868 ( 0.000 -13.391 -3.064) 13.737 5.515 ( 0.000 20.080 -4.203) 20.516 6.081 ( 0.000 1.521 3.435) 3.757 6.598 ( 0.000 -2.348 43.296) 43.359 7.163 ( 0.000 19.539 9.580) 21.761 8.032 ( 0.000 19.132 13.190) 23.238 8.097 ( 0.000 5.433 -29.589) 30.084 8.550 ( 0.000 10.593 -32.958) 34.619 9.187 ( 0.000 -4.783 -16.530) 17.209 9.261 ( 0.000 3.580 1.747) 3.984 9.369 ( 0.000 -15.381 24.257) 28.722 9.854 ( 0.000 -19.123 3.843) 19.506 10.361 ( 0.000 -5.248 26.840) 27.349 10.955 ( 0.000 7.075 16.719) 18.154 11.213 ( 0.000 4.766 -13.332) 14.159 11.437 ( 0.000 1.772 -1.855) 2.565 12.062 ( 0.000 -16.370 -4.786) 17.056 12.085 ( 0.000 -1.420 -15.564) 15.628 12.919 ( 0.000 9.521 1.763) 9.683 13.004 ( 0.000 -4.457 16.102) 16.708 13.305 ( 0.000 -5.977 -3.565) 6.959 14.283 ( 0.000 7.407 -3.500) 8.193 14.610 ( 0.000 -19.065 -1.731) 19.144 15.650 ( 0.000 6.121 -9.044) 10.921 15.810 ( 0.000 -3.050 -22.183) 22.392 16.091 ( 0.000 -1.681 -0.086) 1.683 16.654 ( 0.000 6.710 -30.286) 31.021 17.742 ( 0.000 -12.891 -24.435) 27.627 19.323 ( 0.000 8.441 38.238) 39.158 20.099 ( 0.000 -14.683 53.200) 55.189 23.580 ( 0.000 -0.116 1.355) 1.360 24.065 ( 0.000 -3.114 -5.983) 6.745 ======================= Grid point 122 (44/180) ======================= q-point: ( 0.09 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 12.226 24.250 23.256) 35.754 2.097 ( 18.413 25.970 15.675) 35.485 3.978 ( 21.288 50.606 28.573) 61.892 4.471 ( -3.596 -5.953 15.026) 16.557 5.160 ( 19.776 -6.944 1.040) 20.986 5.447 ( -4.994 22.810 -5.468) 23.982 6.199 ( 6.132 3.124 11.726) 13.596 6.831 ( 16.982 -8.772 7.386) 20.492 7.195 ( 6.868 10.342 12.612) 17.697 7.970 ( -1.078 13.217 -1.939) 13.402 8.273 ( 11.951 12.152 -7.467) 18.608 8.564 ( 1.061 10.490 -30.344) 32.123 8.911 ( -18.305 -2.467 -7.092) 19.785 9.302 ( 0.553 -10.174 1.712) 10.331 9.411 ( 0.103 -1.629 16.778) 16.857 9.751 ( -9.061 -16.858 4.864) 19.747 10.244 ( -9.274 -2.892 20.998) 23.137 10.655 ( -11.244 20.004 11.368) 25.609 11.429 ( 5.877 -7.915 0.597) 9.877 11.827 ( 28.355 -3.358 -13.331) 31.512 11.990 ( -3.797 -3.743 -9.656) 11.030 12.211 ( 8.073 -12.602 -5.996) 16.122 12.857 ( -5.146 7.688 2.880) 9.689 12.993 ( 0.598 -4.914 12.557) 13.498 13.271 ( -3.071 -2.076 -0.352) 3.724 14.201 ( -5.452 5.108 -1.277) 7.579 14.539 ( -7.033 -17.811 -1.489) 19.208 15.504 ( -7.296 7.218 -18.752) 21.377 15.940 ( 2.249 -5.595 -10.609) 12.202 16.065 ( -1.745 -2.898 -0.951) 3.514 16.528 ( -9.540 3.137 -28.870) 30.567 17.578 ( -15.181 -8.363 -15.451) 23.219 19.532 ( 18.412 4.752 29.490) 35.089 20.341 ( 18.309 -16.928 39.699) 46.881 23.719 ( 10.580 -4.521 -6.470) 13.200 24.126 ( 6.028 -5.304 -2.642) 8.453 ======================= Grid point 123 (45/180) ======================= q-point: ( 0.18 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 24.931 16.399 18.578) 35.152 2.584 ( 28.511 18.439 7.624) 34.800 4.447 ( 4.063 -7.552 10.566) 13.609 4.536 ( 29.481 24.209 14.779) 40.910 5.309 ( -7.175 14.998 -9.564) 19.181 5.610 ( 23.819 6.805 5.077) 25.287 6.307 ( 6.249 1.284 14.083) 15.460 6.966 ( 0.421 13.262 0.646) 13.284 7.508 ( 16.680 -19.194 -18.378) 31.375 8.007 ( 4.162 12.359 1.637) 13.143 8.341 ( -13.156 7.557 -8.184) 17.239 8.638 ( 3.200 -4.522 -0.665) 5.580 8.677 ( 5.143 15.463 -22.763) 27.995 9.249 ( -8.302 -15.797 4.403) 18.381 9.309 ( -9.184 7.839 7.898) 14.428 9.616 ( -1.449 -7.979 17.880) 19.633 10.076 ( -6.701 -2.057 17.239) 18.609 10.548 ( 0.332 16.890 8.468) 18.897 11.471 ( -3.034 -9.123 -7.859) 12.417 11.870 ( -8.639 -3.671 -2.906) 9.827 12.210 ( 8.514 0.406 -11.756) 14.521 12.374 ( 8.723 -10.324 -2.878) 13.818 12.767 ( -3.920 9.589 1.318) 10.443 13.114 ( 11.892 -15.303 8.419) 21.130 13.214 ( -1.306 3.489 4.189) 5.606 14.144 ( -0.402 -3.231 0.463) 3.288 14.343 ( -11.495 -14.190 -0.039) 18.262 15.387 ( -4.813 10.244 -22.807) 25.461 15.814 ( -12.311 -5.469 -7.735) 15.534 15.969 ( -9.933 -6.997 -4.361) 12.909 16.397 ( -2.792 3.782 -22.813) 23.292 17.240 ( -16.342 -1.880 -3.802) 16.884 19.931 ( 19.382 0.049 18.872) 27.052 20.653 ( 11.450 -16.729 25.328) 32.442 23.895 ( 6.721 -6.332 -15.037) 17.646 24.268 ( 6.411 -10.385 -0.271) 12.207 ======================= Grid point 124 (46/180) ======================= q-point: ( 0.27 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 28.231 8.992 13.727) 32.654 3.185 ( 30.395 11.778 2.867) 32.723 4.496 ( 2.317 -8.090 9.681) 12.827 5.127 ( -1.118 9.917 -5.168) 11.238 5.258 ( 30.833 -0.495 -3.684) 31.056 6.108 ( 23.892 11.709 -0.302) 26.608 6.484 ( 11.917 0.680 9.793) 15.440 6.974 ( 1.422 13.494 8.395) 15.956 7.702 ( 1.142 -13.658 -30.719) 33.638 8.001 ( -14.920 -2.574 -5.877) 16.241 8.082 ( 0.516 5.925 -1.333) 6.095 8.645 ( 1.810 3.144 -3.842) 5.284 8.878 ( 6.974 8.790 -9.339) 14.598 8.963 ( -15.126 -8.543 5.849) 18.330 9.173 ( -4.883 7.327 -0.611) 8.826 9.608 ( -2.470 2.059 22.629) 22.857 9.968 ( -5.027 1.066 18.655) 19.350 10.711 ( 16.979 0.963 3.863) 17.440 11.248 ( -19.389 -6.211 -8.068) 21.900 11.719 ( -4.354 -5.746 -4.666) 8.587 12.262 ( -1.203 7.741 -8.542) 11.590 12.531 ( 5.140 -11.622 1.675) 12.818 12.698 ( -2.368 11.568 2.923) 12.165 13.191 ( -0.900 -4.796 4.542) 6.666 13.407 ( 13.463 -10.877 1.480) 17.371 14.042 ( -9.714 -15.434 2.069) 18.354 14.236 ( 1.532 -5.316 2.787) 6.195 15.305 ( -3.693 15.201 -27.009) 31.212 15.508 ( -16.656 -14.335 -9.070) 23.774 15.738 ( -10.933 3.349 -2.891) 11.795 16.360 ( -1.757 9.245 -17.126) 19.541 16.959 ( -12.009 3.674 0.847) 12.587 20.269 ( 14.228 -5.248 13.151) 20.073 20.799 ( 3.675 -15.818 18.116) 24.329 24.009 ( 5.077 -7.141 -16.080) 18.312 24.342 ( 0.990 -12.189 -2.767) 12.538 ======================= Grid point 125 (47/180) ======================= q-point: ( 0.36 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 22.989 1.947 11.557) 25.804 3.744 ( 23.302 4.457 2.188) 23.825 4.541 ( 3.069 -2.823 8.901) 9.829 5.018 ( -5.046 10.145 -5.671) 12.671 5.973 ( 33.679 -18.132 -14.821) 41.021 6.478 ( 13.086 9.633 -10.949) 19.593 6.797 ( 17.574 4.066 7.700) 19.613 7.040 ( 4.928 8.266 10.656) 14.358 7.513 ( -14.864 6.805 -18.406) 24.618 7.786 ( -11.668 -14.703 -6.433) 19.842 8.047 ( -1.545 -4.359 -10.645) 11.607 8.591 ( -12.411 -5.765 2.738) 13.956 8.816 ( 6.399 1.749 3.174) 7.354 9.004 ( 6.099 8.827 -4.118) 11.493 9.130 ( 0.474 6.219 5.031) 8.013 9.496 ( -7.951 2.969 16.572) 18.619 9.862 ( -4.662 7.265 14.129) 16.557 10.760 ( -27.279 -2.560 -3.245) 27.591 11.179 ( 26.763 -14.182 1.226) 30.313 11.701 ( 2.203 -0.692 -9.435) 9.714 12.184 ( -6.075 7.240 -7.645) 12.156 12.554 ( -3.147 -17.087 5.212) 18.139 12.684 ( 0.633 9.623 5.622) 11.163 13.074 ( -11.299 -4.984 0.151) 12.350 13.627 ( 9.077 -4.689 -2.173) 10.445 13.970 ( 2.798 -12.724 10.370) 16.652 14.255 ( 0.446 -10.894 -0.760) 10.929 15.090 ( -18.378 -10.828 -15.404) 26.311 15.340 ( 0.873 11.134 -18.056) 21.231 15.580 ( -4.842 14.048 -5.093) 15.708 16.332 ( -0.378 14.527 -13.470) 19.815 16.737 ( -10.552 8.618 1.287) 13.685 20.504 ( 9.510 -10.613 10.264) 17.562 20.820 ( -1.182 -15.879 13.809) 21.076 24.105 ( 4.582 -8.849 -14.867) 17.898 24.325 ( -2.169 -12.320 -6.189) 13.957 ======================= Grid point 126 (48/180) ======================= q-point: ( 0.45 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( 13.875 -5.015 11.229) 18.540 3.998 ( 0.833 -6.556 8.580) 10.830 4.685 ( 11.454 10.223 1.259) 15.404 4.899 ( -8.124 12.073 -3.050) 14.868 6.501 ( 17.622 -12.899 -22.742) 31.530 6.670 ( 2.898 -5.817 -19.166) 20.237 7.065 ( 10.052 4.731 -0.090) 11.110 7.167 ( 8.315 1.412 11.341) 14.133 7.281 ( -7.099 12.305 -10.154) 17.462 7.464 ( -18.227 -9.328 -3.104) 20.710 8.097 ( 7.214 -7.704 -9.824) 14.419 8.317 ( -13.471 -7.496 -5.061) 16.226 8.994 ( 9.165 1.802 2.839) 9.763 9.119 ( -0.823 9.146 6.119) 11.035 9.183 ( 7.418 -0.485 15.482) 17.174 9.328 ( -7.718 1.162 17.527) 19.187 9.864 ( 7.704 9.091 3.427) 12.399 10.215 ( -25.196 3.709 -1.073) 25.490 11.670 ( 17.708 -12.195 -8.711) 23.198 11.787 ( 4.366 2.455 -11.786) 12.806 12.087 ( 1.254 -5.841 -0.122) 5.975 12.354 ( -16.769 -29.503 6.508) 34.554 12.729 ( 3.938 10.671 4.326) 12.169 12.848 ( -8.664 8.099 0.601) 11.875 13.806 ( 8.963 -3.836 3.008) 10.203 13.966 ( -5.727 -6.273 8.389) 11.938 14.376 ( 13.158 -17.060 -4.622) 22.035 14.709 ( -18.706 -16.350 -7.506) 25.953 15.410 ( 5.000 18.081 -18.639) 26.445 15.504 ( -3.936 18.448 -12.270) 22.502 16.376 ( 5.292 15.912 -6.924) 18.142 16.533 ( -9.618 13.202 -1.097) 16.371 20.661 ( 6.379 -14.346 9.623) 18.415 20.765 ( -4.081 -15.838 10.947) 19.681 24.192 ( 4.081 -10.612 -12.635) 16.997 24.268 ( -3.417 -11.811 -9.637) 15.622 ======================= Grid point 132 (49/180) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 0.000 24.094 7.617) 25.270 2.445 ( 0.000 22.592 19.423) 29.793 4.305 ( 0.000 -5.408 19.038) 19.792 4.570 ( 0.000 -15.360 -0.376) 15.365 5.143 ( 0.000 54.787 20.302) 58.428 5.916 ( 0.000 20.853 0.026) 20.853 6.104 ( 0.000 0.120 1.565) 1.570 6.817 ( 0.000 22.505 31.955) 39.085 7.614 ( 0.000 23.680 5.676) 24.351 8.036 ( 0.000 -14.681 -6.168) 15.924 8.496 ( 0.000 24.386 5.259) 24.946 8.602 ( 0.000 -7.975 -22.068) 23.464 8.865 ( 0.000 -22.686 -3.449) 22.947 9.274 ( 0.000 0.152 1.081) 1.091 9.323 ( 0.000 2.604 -1.422) 2.967 9.513 ( 0.000 -10.626 -3.674) 11.243 10.306 ( 0.000 1.595 24.010) 24.063 11.117 ( 0.000 8.537 15.028) 17.283 11.125 ( 0.000 -11.432 -1.101) 11.484 11.550 ( 0.000 2.145 -10.846) 11.056 11.794 ( 0.000 -4.549 -0.110) 4.550 12.043 ( 0.000 -2.231 -17.077) 17.222 12.898 ( 0.000 -5.385 16.419) 17.279 13.127 ( 0.000 -7.410 -0.203) 7.413 13.150 ( 0.000 9.618 0.473) 9.630 14.209 ( 0.000 -19.908 -1.543) 19.968 14.514 ( 0.000 14.768 -3.777) 15.243 15.624 ( 0.000 -14.292 -12.290) 18.849 15.762 ( 0.000 5.248 -8.724) 10.181 16.043 ( 0.000 -3.088 -2.645) 4.066 16.811 ( 0.000 8.687 -30.275) 31.497 17.479 ( 0.000 -12.941 -27.650) 30.529 19.497 ( 0.000 8.353 37.970) 38.878 19.893 ( 0.000 -7.190 44.163) 44.744 23.632 ( 0.000 4.509 -2.455) 5.134 23.984 ( 0.000 -4.896 -5.155) 7.110 ======================= Grid point 133 (50/180) ======================= q-point: ( 0.09 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 6.565 20.869 15.596) 26.867 2.596 ( 13.562 22.184 8.946) 27.497 4.268 ( -1.051 -7.428 12.941) 14.959 4.675 ( 7.347 -1.839 1.674) 7.756 5.349 ( 16.718 35.462 12.229) 41.068 5.918 ( 1.221 24.151 0.597) 24.190 6.231 ( 9.613 -0.669 4.507) 10.638 6.771 ( -1.278 9.263 14.178) 16.984 7.577 ( -3.294 21.663 6.187) 22.769 8.109 ( 5.522 -6.461 5.499) 10.123 8.505 ( 1.260 4.832 -0.108) 4.995 8.614 ( -1.253 0.878 -16.507) 16.578 8.861 ( -2.592 -20.602 -4.425) 21.231 8.969 ( -11.854 0.869 -1.728) 12.011 9.444 ( 1.048 -4.941 4.121) 6.519 9.569 ( 3.493 5.123 -2.995) 6.886 10.237 ( -5.545 4.056 18.340) 19.585 10.954 ( -6.696 7.063 5.210) 11.039 11.265 ( 4.474 -6.157 8.194) 11.183 11.721 ( 10.820 -9.091 -5.198) 15.058 11.904 ( 11.168 -5.441 -1.982) 12.580 12.047 ( 1.435 0.223 -16.449) 16.513 12.775 ( -6.773 -10.281 7.350) 14.339 13.116 ( -2.864 12.364 1.124) 12.741 13.239 ( 6.593 -1.589 7.385) 10.026 14.150 ( -6.130 -18.070 -2.264) 19.215 14.407 ( -8.848 13.235 -2.295) 16.085 15.560 ( -4.164 -7.580 -11.880) 14.695 15.789 ( -1.148 -2.359 -10.898) 11.209 16.021 ( -2.162 -2.054 -3.253) 4.413 16.572 ( -15.579 1.092 -30.198) 33.998 17.434 ( -7.253 -5.501 -15.651) 18.106 19.606 ( 11.466 2.260 29.603) 31.826 20.118 ( 17.070 -5.873 37.578) 41.689 23.696 ( 5.362 1.500 -5.833) 8.064 24.024 ( 3.728 -5.002 -3.303) 7.059 ======================= Grid point 134 (51/180) ======================= q-point: ( 0.18 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 16.630 14.591 14.085) 26.227 2.959 ( 21.681 17.049 5.049) 28.040 4.288 ( 2.847 -5.975 8.175) 10.519 4.853 ( 11.442 1.878 -1.481) 11.689 5.547 ( -1.284 16.076 -3.843) 16.578 6.083 ( 17.269 31.094 7.387) 36.326 6.351 ( 3.814 3.498 16.006) 16.822 6.905 ( 13.058 -13.461 -19.389) 26.975 7.495 ( -4.489 14.885 4.368) 16.149 8.173 ( -1.829 0.145 6.545) 6.798 8.344 ( -14.011 -7.793 -4.624) 16.686 8.620 ( 0.129 -3.201 9.463) 9.990 8.807 ( -1.736 -16.474 -6.405) 17.760 8.917 ( 5.102 5.890 -9.349) 12.171 9.475 ( -1.508 3.870 12.160) 12.849 9.563 ( -0.085 6.044 0.395) 6.057 10.139 ( -3.176 9.238 9.657) 13.736 10.849 ( -4.286 10.898 4.930) 12.706 11.294 ( -2.315 -7.592 0.534) 7.955 11.737 ( -7.766 -8.161 -0.166) 11.266 12.087 ( 8.288 -15.894 -1.173) 17.963 12.263 ( 13.717 3.268 -14.300) 20.083 12.743 ( 4.129 -12.961 2.554) 13.841 13.039 ( -4.363 10.178 1.383) 11.160 13.340 ( 3.610 6.603 11.492) 13.737 13.967 ( -11.391 -14.752 -2.968) 18.873 14.250 ( -5.505 7.074 0.135) 8.964 15.443 ( -10.459 -16.490 -4.263) 19.987 15.663 ( -7.432 6.209 -28.730) 30.318 15.959 ( -3.837 1.953 -5.266) 6.802 16.409 ( -0.641 -2.529 -18.991) 19.170 17.228 ( -11.107 0.462 -2.420) 11.377 19.873 ( 12.804 -5.541 16.557) 21.651 20.421 ( 11.568 -5.826 29.695) 32.397 23.802 ( 4.633 -2.624 -10.987) 12.209 24.106 ( 3.470 -6.263 -1.356) 7.287 ======================= Grid point 135 (52/180) ======================= q-point: ( 0.27 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 21.432 6.791 11.289) 25.158 3.415 ( 22.335 8.834 4.401) 24.418 4.381 ( 6.774 -0.541 4.722) 8.275 5.156 ( 18.629 -7.199 -8.269) 21.616 5.413 ( -8.177 16.779 -4.616) 19.228 6.387 ( 8.332 1.968 0.545) 8.579 6.581 ( 21.010 18.359 11.018) 29.998 7.139 ( 7.982 -6.219 -15.092) 18.170 7.426 ( -1.671 0.339 -5.847) 6.090 7.942 ( -14.806 -5.408 -7.439) 17.430 8.175 ( -8.273 0.616 -1.847) 8.499 8.556 ( -3.651 -15.236 12.018) 19.746 8.806 ( 0.872 0.728 -1.621) 1.979 9.059 ( 5.918 5.613 -1.723) 8.337 9.324 ( -8.512 7.010 10.277) 15.074 9.610 ( -0.260 -0.125 14.909) 14.912 10.138 ( 2.618 13.793 3.313) 14.425 10.779 ( -1.516 5.820 3.825) 7.128 11.111 ( -16.033 -7.014 -1.982) 17.612 11.634 ( 0.259 -2.519 -4.451) 5.121 12.193 ( -0.032 -18.929 5.347) 19.670 12.410 ( 1.376 5.626 -17.161) 18.112 12.875 ( 5.665 -8.320 -2.544) 10.382 12.970 ( -1.670 1.240 2.143) 2.987 13.422 ( 6.085 6.477 13.344) 16.032 13.752 ( -8.203 -12.008 -1.580) 14.628 14.186 ( -1.980 1.374 2.948) 3.808 15.122 ( -18.796 -20.974 -7.885) 29.247 15.611 ( 0.913 14.343 -29.058) 32.418 15.891 ( -2.196 8.942 -7.240) 11.714 16.458 ( 3.838 0.068 -11.325) 11.958 17.033 ( -8.260 3.486 1.209) 9.047 20.079 ( 7.934 -12.416 9.661) 17.619 20.564 ( 2.901 -6.810 24.355) 25.455 23.879 ( 3.202 -5.088 -12.771) 14.115 24.139 ( -0.264 -7.885 -2.622) 8.313 ======================= Grid point 136 (53/180) ======================= q-point: ( 0.36 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 16.866 1.100 9.683) 19.479 3.772 ( 11.566 -2.193 8.805) 14.701 4.591 ( 14.768 9.104 -1.521) 17.416 5.261 ( -5.049 13.361 -6.283) 15.604 5.606 ( 23.618 -15.819 -10.445) 30.285 6.495 ( 1.754 -11.037 -7.893) 13.682 6.981 ( 16.060 14.155 3.239) 21.651 7.221 ( 1.962 7.068 4.138) 8.422 7.417 ( -0.233 -6.586 -17.861) 19.038 7.700 ( -9.154 -0.390 -6.429) 11.193 8.000 ( -6.575 -2.671 -10.680) 12.823 8.435 ( -10.306 -7.726 -5.968) 14.195 8.854 ( 4.748 3.144 11.980) 13.264 9.111 ( 1.017 2.818 8.287) 8.812 9.255 ( 1.245 4.545 15.908) 16.591 9.513 ( -8.171 0.037 16.829) 18.707 10.145 ( -3.075 17.945 0.550) 18.215 10.722 ( -20.112 -1.236 0.851) 20.168 10.884 ( 11.687 -12.479 3.496) 17.451 11.709 ( 4.600 -2.597 -10.054) 11.358 12.060 ( -10.938 -19.819 6.780) 23.630 12.363 ( -5.298 6.702 -16.805) 18.852 12.909 ( 0.010 10.047 0.443) 10.057 12.974 ( 0.133 -7.344 -5.385) 9.107 13.610 ( 11.530 1.557 12.070) 16.764 13.688 ( 2.039 -11.570 2.456) 12.003 14.129 ( -3.938 -2.672 4.617) 6.630 14.742 ( -18.908 -18.208 -6.971) 27.160 15.668 ( 4.503 16.090 -28.117) 32.707 15.879 ( 0.410 14.508 -10.514) 17.922 16.536 ( 3.969 5.056 -7.963) 10.233 16.885 ( -6.913 5.981 0.734) 9.171 20.210 ( 5.738 -16.779 8.159) 19.520 20.554 ( -3.297 -9.743 19.610) 22.144 23.936 ( 2.626 -7.144 -12.302) 14.466 24.106 ( -2.599 -8.929 -5.372) 10.740 ======================= Grid point 137 (54/180) ======================= q-point: ( 0.45 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.769 ( 8.880 -2.971 10.178) 13.830 3.869 ( -0.862 -5.642 11.171) 12.544 4.920 ( 15.638 12.917 -4.875) 20.860 5.152 ( -7.415 12.980 -5.047) 15.778 6.070 ( 21.320 -23.425 -13.863) 34.576 6.406 ( -11.136 -21.513 -13.998) 27.978 7.168 ( 4.430 7.523 2.885) 9.195 7.241 ( -1.709 5.027 3.850) 6.559 7.447 ( 4.634 7.247 -13.395) 15.919 7.563 ( -5.523 8.246 -6.683) 11.965 7.981 ( 5.244 -4.357 -16.363) 17.726 8.181 ( -13.096 -5.052 -13.708) 19.620 8.984 ( 7.812 -0.656 10.476) 13.084 9.123 ( -3.242 -1.907 14.278) 14.766 9.295 ( 2.742 5.386 19.760) 20.664 9.366 ( -4.579 2.128 25.878) 26.366 10.113 ( 3.253 14.377 -2.667) 14.980 10.329 ( -17.187 7.515 0.192) 18.759 11.211 ( 18.799 -25.837 3.925) 32.193 11.586 ( -17.018 -28.118 1.847) 32.919 12.023 ( 8.149 6.554 -9.643) 14.224 12.214 ( -9.268 8.609 -15.167) 19.749 12.921 ( 1.318 8.123 -0.211) 8.232 12.955 ( -1.701 2.353 -3.341) 4.426 13.757 ( 5.798 -3.555 5.944) 9.032 13.826 ( 3.016 -7.829 10.658) 13.564 14.102 ( 6.092 -7.781 0.648) 9.903 14.375 ( -17.433 -14.592 -3.046) 22.938 15.777 ( 5.748 16.559 -25.409) 30.868 15.866 ( -2.542 16.273 -18.042) 24.429 16.627 ( 5.378 8.388 -3.957) 10.721 16.749 ( -6.634 8.127 -0.726) 10.516 20.327 ( 6.198 -17.032 10.437) 20.915 20.454 ( -6.154 -13.890 14.732) 21.162 23.989 ( 2.763 -8.703 -10.662) 14.038 24.047 ( -3.057 -9.297 -8.255) 12.803 ======================= Grid point 143 (55/180) ======================= q-point: ( 0.00 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 0.000 10.331 12.039) 15.865 2.801 ( 0.000 9.959 5.501) 11.377 4.199 ( 0.000 -1.843 16.241) 16.346 4.292 ( 0.000 -10.664 6.587) 12.535 5.880 ( 0.000 16.306 -3.912) 16.768 6.064 ( 0.000 -4.603 -1.250) 4.770 6.602 ( 0.000 46.863 21.004) 51.355 7.412 ( 0.000 34.347 13.503) 36.906 7.491 ( 0.000 -37.517 15.450) 40.574 8.079 ( 0.000 21.668 2.701) 21.835 8.133 ( 0.000 -34.754 -5.685) 35.216 8.469 ( 0.000 -17.062 -0.178) 17.063 8.941 ( 0.000 18.232 -0.075) 18.232 9.201 ( 0.000 -7.768 -2.002) 8.022 9.377 ( 0.000 2.914 -5.170) 5.935 9.431 ( 0.000 -1.885 -10.191) 10.364 10.467 ( 0.000 13.992 12.391) 18.690 10.811 ( 0.000 -18.154 3.061) 18.410 11.281 ( 0.000 7.532 10.074) 12.578 11.432 ( 0.000 -7.853 1.910) 8.082 11.906 ( 0.000 7.755 -9.745) 12.454 12.003 ( 0.000 -2.308 -15.737) 15.906 12.826 ( 0.000 -0.495 12.899) 12.909 12.914 ( 0.000 -8.956 5.432) 10.474 13.445 ( 0.000 16.562 0.122) 16.562 13.809 ( 0.000 -19.264 -0.738) 19.278 14.869 ( 0.000 19.627 -4.552) 20.148 15.273 ( 0.000 -19.550 -6.765) 20.688 15.867 ( 0.000 5.157 -7.519) 9.118 15.966 ( 0.000 -4.495 -5.460) 7.072 17.002 ( 0.000 10.312 -29.987) 31.711 17.227 ( 0.000 -11.902 -29.276) 31.603 19.650 ( 0.000 6.678 38.048) 38.630 19.770 ( 0.000 -5.563 39.575) 39.964 23.743 ( 0.000 6.218 -3.797) 7.286 23.871 ( 0.000 -6.167 -4.456) 7.609 ======================= Grid point 144 (56/180) ======================= q-point: ( 0.09 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 4.560 10.218 8.525) 14.067 2.928 ( 10.271 8.922 9.117) 16.377 4.158 ( 1.172 -2.230 5.794) 6.318 4.473 ( 11.993 -9.681 8.606) 17.653 5.860 ( -0.809 9.773 -3.564) 10.434 6.196 ( 11.255 -0.949 -0.529) 11.308 6.587 ( -1.959 36.507 16.250) 40.008 7.086 ( -15.235 12.801 -0.334) 19.902 7.785 ( 11.775 -15.395 25.960) 32.398 7.934 ( -6.166 1.580 3.853) 7.441 8.182 ( -2.802 -11.628 -0.884) 11.994 8.482 ( 0.187 -13.803 3.935) 14.354 8.845 ( -6.155 9.194 -7.673) 13.464 9.020 ( -9.438 0.832 -7.255) 11.933 9.409 ( 7.688 0.263 -5.507) 9.461 9.665 ( 8.381 2.468 0.958) 8.789 10.429 ( -2.409 13.057 3.551) 13.744 10.836 ( 2.071 -13.253 3.195) 13.789 11.304 ( 1.117 6.216 10.654) 12.385 11.518 ( 6.649 -8.555 7.506) 13.181 11.827 ( -4.062 -1.889 -8.113) 9.268 12.112 ( 7.596 2.923 -13.028) 15.362 12.600 ( -8.281 -5.344 1.242) 9.934 13.190 ( 12.816 -1.526 11.890) 17.548 13.413 ( -2.370 15.448 -0.436) 15.635 13.781 ( -3.249 -17.557 -0.518) 17.863 14.752 ( -10.361 19.047 -4.955) 22.242 15.227 ( -5.868 -19.775 -2.633) 20.795 15.862 ( -0.802 5.351 -12.950) 14.035 15.964 ( 0.009 -3.763 -7.099) 8.035 16.577 ( -22.642 -0.176 -31.299) 38.630 17.362 ( -0.466 -1.695 -14.965) 15.068 19.626 ( 4.688 0.174 28.562) 28.945 20.062 ( 18.370 -0.735 36.452) 40.826 23.749 ( 0.945 2.766 -6.646) 7.260 23.930 ( 4.694 -3.645 -2.472) 6.437 ======================= Grid point 145 (57/180) ======================= q-point: ( 0.18 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 10.508 8.769 8.306) 16.010 3.185 ( 14.643 4.089 10.321) 18.375 4.274 ( 10.041 4.425 -3.522) 11.524 4.708 ( 11.315 -10.606 1.301) 15.563 5.848 ( -1.136 8.971 -3.476) 9.688 6.368 ( -2.853 1.946 16.803) 17.154 6.579 ( 9.869 3.996 -17.322) 20.332 6.944 ( 1.797 23.587 -3.948) 23.982 7.720 ( -8.562 -2.205 5.942) 10.653 8.007 ( -10.889 -11.856 -2.983) 16.372 8.079 ( 9.978 -8.330 28.772) 31.572 8.363 ( -12.085 -8.436 8.764) 17.147 8.828 ( 3.925 5.997 -5.866) 9.262 8.961 ( 2.402 -1.676 -6.745) 7.353 9.552 ( 5.042 3.263 2.348) 6.448 9.684 ( -5.725 3.547 4.020) 7.843 10.401 ( -0.598 12.755 -6.934) 14.530 10.890 ( 2.921 -6.014 -2.323) 7.078 11.254 ( -7.374 3.485 11.633) 14.207 11.592 ( -0.328 -5.305 9.391) 10.791 11.815 ( 3.702 -8.445 -3.385) 9.822 12.293 ( 10.063 -0.604 0.256) 10.085 12.553 ( 2.351 -4.184 -14.397) 15.176 13.234 ( -6.363 6.476 0.519) 9.093 13.462 ( 4.543 7.125 11.061) 13.919 13.675 ( -6.028 -13.245 0.341) 14.556 14.523 ( -11.083 17.886 -4.332) 21.483 15.012 ( -14.604 -21.846 -2.348) 26.383 15.835 ( -0.993 6.943 -30.066) 30.873 15.981 ( 2.011 -0.263 -9.059) 9.283 16.332 ( -2.111 -3.393 -13.281) 13.869 17.241 ( -8.686 0.460 -1.412) 8.812 19.769 ( 7.117 -3.216 14.386) 16.369 20.370 ( 11.067 -0.607 31.665) 33.549 23.780 ( 1.875 -0.040 -9.682) 9.862 24.012 ( 2.738 -2.679 -1.628) 4.163 ======================= Grid point 146 (58/180) ======================= q-point: ( 0.27 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( 14.526 3.885 7.474) 16.792 3.480 ( 13.902 -1.049 12.918) 19.006 4.538 ( 15.811 13.800 -8.659) 22.702 4.942 ( 12.769 -13.190 -7.117) 19.690 5.784 ( -5.399 17.453 -3.033) 18.519 6.232 ( -6.199 -12.668 0.758) 14.123 6.897 ( 17.634 -2.064 -16.441) 24.197 7.086 ( 10.349 16.173 -3.815) 19.576 7.552 ( -8.046 3.376 3.426) 9.374 7.797 ( -8.068 -7.505 -5.722) 12.416 8.083 ( -13.821 -6.662 5.552) 16.317 8.272 ( 7.391 -7.884 16.260) 19.524 8.909 ( 3.605 7.579 4.733) 9.635 9.057 ( 5.464 -5.159 7.198) 10.406 9.459 ( -12.041 5.203 7.541) 15.130 9.615 ( -1.800 -0.176 7.505) 7.720 10.397 ( 0.341 8.714 -11.001) 14.038 10.909 ( -2.390 2.406 -3.598) 4.945 11.019 ( -14.523 1.642 10.172) 17.807 11.567 ( -2.917 -5.674 8.846) 10.907 11.893 ( 3.185 -6.938 -5.007) 9.130 12.449 ( 3.681 -2.394 -3.147) 5.403 12.641 ( 6.301 -5.103 -15.001) 17.052 13.108 ( -4.335 5.138 -1.204) 6.829 13.448 ( -2.446 -4.083 5.788) 7.494 13.652 ( 2.942 1.425 9.197) 9.761 14.324 ( -9.463 11.918 -2.203) 15.377 14.705 ( -15.298 -19.087 -4.700) 24.909 15.849 ( 2.343 7.613 -34.944) 35.840 16.044 ( 3.996 4.940 -11.428) 13.075 16.401 ( 6.949 -3.689 -1.905) 8.095 17.081 ( -6.824 1.034 2.614) 7.381 19.873 ( 3.520 -5.987 7.346) 10.109 20.487 ( 0.762 -1.610 27.530) 27.588 23.814 ( 1.383 -1.428 -10.896) 11.076 24.027 ( -1.183 -2.970 -2.964) 4.359 ======================= Grid point 147 (59/180) ======================= q-point: ( 0.36 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 13.090 -0.508 7.292) 14.992 3.708 ( 8.240 -2.381 14.086) 16.492 4.878 ( 17.403 17.344 -9.892) 26.486 5.227 ( 14.947 -15.604 -12.449) 24.937 5.666 ( -5.137 19.651 -2.944) 20.523 6.117 ( -6.549 -22.921 -5.953) 24.570 7.227 ( 13.741 3.108 -10.844) 17.778 7.288 ( 8.138 6.465 -5.079) 11.568 7.422 ( -3.633 2.457 -0.372) 4.401 7.700 ( -2.169 1.966 -9.064) 9.525 7.861 ( -6.324 -9.418 -3.460) 11.861 8.325 ( -3.819 -2.959 -9.072) 10.278 8.971 ( 2.086 7.820 15.216) 17.235 9.110 ( -0.759 -4.074 12.115) 12.804 9.313 ( 0.688 1.928 25.980) 26.060 9.512 ( -7.496 -0.177 12.553) 14.622 10.414 ( 0.358 4.225 -9.090) 10.030 10.723 ( -11.943 1.776 4.549) 12.903 10.804 ( -7.864 6.464 3.110) 10.644 11.379 ( -15.680 -20.206 10.624) 27.695 12.005 ( 8.630 5.595 -14.486) 17.766 12.439 ( -3.250 0.030 -15.360) 15.700 12.803 ( 9.116 -5.891 -8.792) 13.968 13.073 ( -0.208 4.628 -0.604) 4.671 13.469 ( 3.935 -5.469 4.734) 8.234 13.736 ( 4.825 4.740 11.978) 13.756 14.128 ( -9.754 2.551 0.685) 10.105 14.413 ( -13.404 -12.572 -0.924) 18.400 15.921 ( 4.774 7.520 -34.564) 35.694 16.116 ( 2.359 7.289 -16.110) 17.839 16.562 ( 8.449 -0.874 0.993) 8.552 16.963 ( -5.283 1.655 1.513) 5.739 19.941 ( 4.101 -7.718 7.185) 11.314 20.419 ( -6.880 -3.557 23.069) 24.335 23.837 ( 1.101 -2.429 -10.639) 10.969 23.979 ( -3.185 -3.362 -5.267) 7.013 ======================= Grid point 148 (60/180) ======================= q-point: ( 0.45 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.722 ( 7.254 -1.549 9.073) 11.719 3.794 ( 0.265 -1.668 12.066) 12.184 5.201 ( 14.006 14.564 -9.734) 22.429 5.396 ( -3.155 6.073 -11.946) 13.767 5.688 ( 10.675 -8.319 -4.349) 14.216 5.938 ( -11.477 -22.010 -6.826) 25.744 7.320 ( 0.259 5.398 1.916) 5.734 7.346 ( -1.485 3.997 0.811) 4.341 7.534 ( 9.913 1.224 -12.648) 16.116 7.664 ( -2.879 2.476 -8.475) 9.287 7.891 ( 8.496 -3.942 -21.738) 23.670 8.128 ( -13.347 -0.768 -23.793) 27.292 9.006 ( 2.957 2.420 14.432) 14.929 9.086 ( -3.135 -2.153 15.908) 16.356 9.376 ( 2.330 2.985 31.043) 31.273 9.404 ( -1.556 0.958 26.634) 26.697 10.385 ( 0.152 11.467 -1.525) 11.569 10.509 ( -10.574 7.665 3.990) 13.656 10.784 ( 7.683 -11.503 2.796) 14.112 11.036 ( -16.290 -23.004 6.680) 28.968 12.195 ( 9.216 6.884 -18.858) 22.090 12.348 ( -5.923 3.215 -19.653) 20.776 12.972 ( 6.852 0.142 -4.205) 8.040 13.058 ( -2.000 4.605 -0.741) 5.075 13.580 ( 7.278 -7.254 1.422) 10.374 13.746 ( -6.755 -3.251 3.838) 8.421 14.032 ( 3.430 -0.797 8.409) 9.117 14.182 ( -9.744 -4.140 7.283) 12.850 16.029 ( 5.515 7.189 -31.109) 32.401 16.116 ( -2.491 7.149 -23.704) 24.884 16.722 ( 7.381 1.758 0.927) 7.644 16.854 ( -5.889 2.322 0.351) 6.340 20.060 ( 7.906 -7.649 11.669) 16.037 20.244 ( -9.811 -5.911 17.640) 21.032 23.865 ( 1.852 -3.179 -9.430) 10.122 23.914 ( -2.991 -3.500 -7.570) 8.860 ======================= Grid point 198 (61/180) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 0.000 0.000 43.149) 43.149 2.174 ( 0.000 0.000 46.600) 46.600 3.538 ( 0.000 0.000 70.920) 70.920 5.042 ( 0.000 0.000 -9.164) 9.164 5.086 ( 0.000 0.000 10.943) 10.943 5.438 ( 0.000 0.000 39.506) 39.506 6.204 ( 0.000 0.000 8.634) 8.634 6.807 ( 0.000 0.000 9.884) 9.884 7.015 ( 0.000 0.000 -40.875) 40.875 7.102 ( 0.000 0.000 -1.495) 1.495 7.386 ( 0.000 0.000 -39.640) 39.640 8.755 ( 0.000 0.000 -28.505) 28.505 9.117 ( 0.000 0.000 -0.087) 0.087 9.129 ( 0.000 0.000 13.940) 13.940 10.285 ( 0.000 0.000 12.479) 12.479 10.501 ( 0.000 0.000 -1.099) 1.099 10.682 ( 0.000 0.000 24.808) 24.808 10.775 ( 0.000 0.000 14.360) 14.360 11.215 ( 0.000 0.000 16.039) 16.039 11.425 ( 0.000 0.000 -3.024) 3.024 11.895 ( 0.000 0.000 -1.395) 1.395 12.382 ( 0.000 0.000 -9.424) 9.424 12.680 ( 0.000 0.000 0.724) 0.724 13.269 ( 0.000 0.000 -7.306) 7.306 13.299 ( 0.000 0.000 7.662) 7.662 14.144 ( 0.000 0.000 -3.600) 3.600 14.981 ( 0.000 0.000 -26.921) 26.921 15.028 ( 0.000 0.000 -14.333) 14.333 15.234 ( 0.000 0.000 -0.475) 0.475 15.896 ( 0.000 0.000 -28.141) 28.141 16.152 ( 0.000 0.000 1.808) 1.808 17.546 ( 0.000 0.000 -29.214) 29.214 19.986 ( 0.000 0.000 44.114) 44.114 21.589 ( 0.000 0.000 26.624) 26.624 23.898 ( 0.000 0.000 -7.940) 7.940 23.911 ( 0.000 0.000 -13.992) 13.992 ======================= Grid point 199 (62/180) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 19.435 0.000 39.446) 43.974 2.183 ( 4.783 0.000 40.899) 41.178 3.922 ( 33.536 0.000 57.750) 66.781 4.881 ( -9.912 0.000 1.069) 9.969 4.944 ( -10.481 0.000 12.136) 16.036 5.601 ( 10.056 0.000 16.864) 19.635 6.330 ( 10.095 0.000 7.968) 12.861 6.753 ( -2.783 0.000 8.337) 8.789 7.082 ( 0.466 0.000 -19.504) 19.509 7.133 ( 9.001 0.000 -31.751) 33.002 7.512 ( 11.069 0.000 -21.006) 23.744 8.630 ( -10.869 0.000 -19.778) 22.567 9.076 ( -3.933 0.000 0.731) 4.001 9.188 ( 3.707 0.000 2.521) 4.483 9.935 ( -30.490 0.000 26.676) 40.512 10.287 ( -3.239 0.000 9.378) 9.921 10.515 ( -9.101 0.000 28.374) 29.798 10.730 ( -4.371 0.000 14.426) 15.074 11.556 ( 5.632 0.000 -14.405) 15.467 11.584 ( 12.258 0.000 -2.104) 12.437 11.939 ( 12.330 0.000 -2.317) 12.546 12.329 ( -4.583 0.000 -6.583) 8.021 12.649 ( -3.381 0.000 1.199) 3.587 13.200 ( -2.647 0.000 -3.724) 4.569 13.446 ( 9.915 0.000 3.471) 10.505 14.152 ( 2.135 0.000 -2.563) 3.336 14.893 ( -8.185 0.000 -9.669) 12.668 14.961 ( -6.553 0.000 -14.945) 16.319 15.544 ( 20.568 0.000 -19.213) 28.146 15.824 ( -6.951 0.000 -28.188) 29.033 16.092 ( -5.709 0.000 1.119) 5.818 17.400 ( -13.374 0.000 -25.073) 28.417 20.113 ( 11.644 0.000 39.021) 40.722 21.599 ( 0.808 0.000 25.972) 25.985 23.664 ( -6.228 0.000 -15.536) 16.738 24.264 ( 15.748 0.000 -14.037) 21.096 ======================= Grid point 200 (63/180) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 21.131 0.000 21.374) 30.056 2.555 ( 30.521 0.000 32.603) 44.659 4.665 ( 25.179 0.000 10.744) 27.375 4.760 ( -1.498 0.000 -0.108) 1.502 4.821 ( 11.801 0.000 30.685) 32.876 5.732 ( 2.685 0.000 -6.074) 6.641 6.527 ( 8.751 0.000 5.815) 10.507 6.745 ( 2.160 0.000 13.147) 13.324 7.186 ( 10.505 0.000 -29.312) 31.138 7.300 ( 5.904 0.000 -22.814) 23.566 7.804 ( 18.033 0.000 -2.957) 18.274 8.381 ( -12.206 0.000 -12.636) 17.568 8.969 ( -6.490 0.000 2.323) 6.893 9.205 ( -3.196 0.000 -8.862) 9.421 9.524 ( -12.021 0.000 27.220) 29.757 9.974 ( -22.165 0.000 13.791) 26.105 10.607 ( -7.881 0.000 14.116) 16.167 10.627 ( 15.811 0.000 24.304) 28.995 11.425 ( -12.342 0.000 -17.674) 21.557 11.803 ( 7.766 0.000 -3.395) 8.476 12.243 ( -2.635 0.000 0.946) 2.800 12.260 ( 12.337 0.000 -10.227) 16.025 12.572 ( -1.929 0.000 4.718) 5.097 13.182 ( 1.443 0.000 -4.499) 4.724 13.652 ( 9.453 0.000 1.760) 9.616 14.236 ( 5.487 0.000 -3.528) 6.523 14.681 ( -11.789 0.000 -2.133) 11.980 14.776 ( -11.371 0.000 -15.432) 19.168 15.635 ( -11.363 0.000 -27.986) 30.205 15.742 ( -4.262 0.000 -10.664) 11.484 15.982 ( -2.855 0.000 -8.089) 8.578 17.072 ( -18.103 0.000 -17.852) 25.425 20.397 ( 15.575 0.000 29.735) 33.567 21.610 ( -0.104 0.000 23.932) 23.932 23.632 ( 2.213 0.000 -22.312) 22.422 24.469 ( 4.642 0.000 -15.636) 16.311 ======================= Grid point 201 (64/180) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 28.300 0.000 3.815) 28.556 3.215 ( 34.417 0.000 27.484) 44.044 4.685 ( -2.249 0.000 -7.465) 7.797 4.806 ( 4.970 0.000 -1.394) 5.162 5.564 ( 38.947 0.000 17.891) 42.860 5.736 ( -1.067 0.000 -18.677) 18.707 6.677 ( 6.518 0.000 -0.828) 6.570 6.825 ( 4.760 0.000 8.894) 10.087 7.286 ( -7.819 0.000 -13.732) 15.802 7.497 ( 19.979 0.000 -21.103) 29.061 8.223 ( 22.969 0.000 7.971) 24.313 8.240 ( 0.067 0.000 -9.360) 9.360 8.841 ( -5.255 0.000 4.017) 6.615 9.018 ( -16.544 0.000 -7.995) 18.374 9.367 ( -5.493 0.000 18.088) 18.904 9.543 ( -18.867 0.000 10.596) 21.639 10.417 ( -11.093 0.000 12.963) 17.062 11.024 ( 21.916 0.000 14.988) 26.551 11.123 ( -17.909 0.000 -14.843) 23.261 11.863 ( -0.694 0.000 -4.532) 4.585 12.260 ( 4.228 0.000 11.524) 12.275 12.313 ( -3.156 0.000 -7.893) 8.500 12.654 ( 6.209 0.000 4.912) 7.917 13.283 ( 9.001 0.000 -7.161) 11.502 13.759 ( -0.897 0.000 -4.616) 4.703 14.288 ( -3.379 0.000 -5.364) 6.340 14.539 ( 1.867 0.000 0.960) 2.099 14.552 ( -9.617 0.000 -11.149) 14.723 15.408 ( -9.846 0.000 -26.562) 28.328 15.500 ( -15.973 0.000 -2.253) 16.131 15.899 ( -7.427 0.000 -12.679) 14.694 16.701 ( -18.885 0.000 -11.755) 22.244 20.704 ( 14.643 0.000 21.731) 26.204 21.585 ( -2.575 0.000 20.649) 20.809 23.723 ( 6.335 0.000 -25.757) 26.525 24.476 ( -3.158 0.000 -16.659) 16.956 ======================= Grid point 202 (65/180) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( 27.546 0.000 -5.847) 28.160 3.890 ( 32.026 0.000 25.413) 40.884 4.611 ( -6.181 0.000 -10.769) 12.417 4.890 ( 1.421 0.000 5.061) 5.257 5.751 ( 4.285 0.000 -26.673) 27.015 6.243 ( 27.849 0.000 -1.482) 27.888 6.760 ( -16.135 0.000 -13.644) 21.131 6.787 ( 4.036 0.000 -6.142) 7.349 7.207 ( 7.380 0.000 3.544) 8.187 7.951 ( 23.886 0.000 -6.643) 24.793 8.344 ( 5.126 0.000 -6.550) 8.317 8.581 ( -21.584 0.000 0.709) 21.595 8.592 ( 6.904 0.000 8.162) 10.691 8.881 ( 15.412 0.000 9.625) 18.170 9.228 ( -14.142 0.000 3.173) 14.494 9.276 ( -2.873 0.000 6.449) 7.060 10.165 ( -13.853 0.000 9.332) 16.703 10.705 ( -23.771 0.000 -6.845) 24.737 11.426 ( 16.671 0.000 1.278) 16.720 11.830 ( -2.078 0.000 -1.625) 2.638 12.273 ( 0.448 0.000 -3.202) 3.233 12.413 ( 11.769 0.000 15.818) 19.716 12.684 ( -4.004 0.000 4.024) 5.677 13.528 ( 14.148 0.000 -15.191) 20.759 13.575 ( -15.730 0.000 -6.312) 16.949 14.226 ( 1.046 0.000 -2.308) 2.534 14.393 ( -8.303 0.000 -6.084) 10.294 14.669 ( 6.531 0.000 -2.922) 7.155 15.187 ( -12.931 0.000 -1.844) 13.061 15.318 ( 2.636 0.000 -20.465) 20.634 15.688 ( -12.999 0.000 -11.105) 17.096 16.312 ( -20.143 0.000 -7.790) 21.597 20.974 ( 12.260 0.000 16.272) 20.374 21.505 ( -5.382 0.000 16.959) 17.792 23.871 ( 8.180 0.000 -26.386) 27.625 24.370 ( -6.871 0.000 -19.102) 20.300 ======================= Grid point 203 (66/180) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( 22.499 0.000 -10.205) 24.705 4.408 ( -14.474 0.000 -11.602) 18.550 4.454 ( 23.403 0.000 23.124) 32.900 4.801 ( -10.955 0.000 15.899) 19.308 5.950 ( 15.556 0.000 -29.858) 33.667 6.340 ( -22.171 0.000 -24.095) 32.743 6.659 ( 13.796 0.000 -9.018) 16.482 6.813 ( -2.310 0.000 -9.067) 9.357 7.506 ( 20.219 0.000 4.080) 20.627 7.978 ( -26.133 0.000 1.669) 26.186 8.363 ( 15.679 0.000 5.220) 16.525 8.578 ( -5.901 0.000 8.444) 10.302 8.651 ( 13.712 0.000 -1.069) 13.754 8.941 ( -14.687 0.000 0.776) 14.707 9.245 ( 13.693 0.000 -3.479) 14.128 9.342 ( 7.887 0.000 3.171) 8.500 9.929 ( -4.185 0.000 6.742) 7.935 10.201 ( -24.740 0.000 4.989) 25.238 11.668 ( 7.990 0.000 -2.715) 8.439 11.777 ( -3.570 0.000 -0.610) 3.622 12.348 ( 6.948 0.000 0.321) 6.955 12.528 ( -9.902 0.000 2.748) 10.277 12.740 ( 20.165 0.000 6.119) 21.073 13.173 ( -22.019 0.000 -7.702) 23.327 13.850 ( 16.488 0.000 -9.654) 19.107 14.164 ( -14.290 0.000 -8.563) 16.659 14.358 ( 11.249 0.000 -1.390) 11.335 14.615 ( -11.887 0.000 -1.714) 12.010 15.149 ( 9.289 0.000 -6.010) 11.064 15.407 ( -14.454 0.000 -9.109) 17.085 15.520 ( 16.100 0.000 -11.505) 19.788 15.900 ( -20.643 0.000 -7.236) 21.875 21.195 ( 9.918 0.000 13.769) 16.969 21.372 ( -7.777 0.000 14.229) 16.216 24.042 ( 8.758 0.000 -24.995) 26.485 24.215 ( -8.391 0.000 -22.261) 23.790 ======================= Grid point 209 (67/180) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 0.000 15.960 37.992) 41.208 2.296 ( 0.000 11.452 42.595) 44.108 3.843 ( 0.000 28.483 60.358) 66.741 4.964 ( 0.000 -7.317 -8.753) 11.409 5.144 ( 0.000 4.752 16.016) 16.706 5.418 ( 0.000 -0.292 31.643) 31.644 6.183 ( 0.000 -1.321 6.488) 6.621 6.891 ( 0.000 7.994 7.787) 11.160 7.168 ( 0.000 14.027 -35.624) 38.286 7.200 ( 0.000 9.017 3.584) 9.703 7.514 ( 0.000 11.633 -39.489) 41.167 8.713 ( 0.000 -20.677 26.637) 33.721 8.759 ( 0.000 0.346 -27.670) 27.672 9.275 ( 0.000 3.789 6.227) 7.289 10.179 ( 0.000 -10.374 14.755) 18.036 10.382 ( 0.000 -19.555 16.592) 25.645 10.653 ( 0.000 11.378 -11.038) 15.852 10.913 ( 0.000 2.635 21.085) 21.249 11.231 ( 0.000 2.836 14.873) 15.141 11.438 ( 0.000 0.786 -1.739) 1.908 11.892 ( 0.000 -0.385 -0.772) 0.863 12.228 ( 0.000 -12.550 -8.004) 14.885 12.770 ( 0.000 7.260 0.335) 7.268 13.260 ( 0.000 -1.119 -7.182) 7.268 13.305 ( 0.000 0.198 8.221) 8.224 14.134 ( 0.000 -0.320 -4.710) 4.720 14.878 ( 0.000 -12.534 -6.089) 13.935 15.113 ( 0.000 10.221 -29.820) 31.523 15.299 ( 0.000 4.514 -9.365) 10.396 15.940 ( 0.000 4.079 -27.455) 27.756 16.135 ( 0.000 -1.770 0.961) 2.014 17.467 ( 0.000 -7.632 -26.966) 28.025 20.044 ( 0.000 5.454 44.057) 44.393 21.424 ( 0.000 -14.822 33.893) 36.993 23.740 ( 0.000 -11.606 -3.442) 12.106 23.905 ( 0.000 -0.641 -13.469) 13.485 ======================= Grid point 210 (68/180) ======================= q-point: ( 0.09 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 16.386 13.606 34.709) 40.723 2.333 ( 6.163 13.376 38.266) 41.002 4.129 ( 25.652 19.899 49.338) 59.061 4.781 ( -10.414 -5.923 0.589) 11.995 5.123 ( -6.545 13.705 11.355) 18.963 5.508 ( 9.574 -7.095 19.194) 22.592 6.337 ( 11.332 0.145 6.566) 13.098 6.809 ( -4.182 4.557 -1.160) 6.293 7.102 ( -2.194 6.390 -16.625) 17.945 7.364 ( 10.678 17.364 -18.891) 27.792 7.633 ( 10.654 11.093 -23.773) 28.315 8.602 ( -10.717 -2.977 -6.935) 13.108 8.790 ( 2.395 -16.850 2.676) 17.229 9.234 ( -3.988 4.023 7.117) 9.096 10.147 ( -10.286 1.066 14.165) 17.538 10.212 ( -16.586 -6.212 7.621) 19.281 10.355 ( -1.969 -2.430 21.250) 21.479 10.812 ( -9.167 5.085 19.543) 22.177 11.486 ( 0.021 -4.761 -10.638) 11.654 11.604 ( 17.157 0.411 -3.703) 17.556 11.921 ( 9.767 -1.817 -1.663) 10.073 12.276 ( 1.672 -5.544 -6.857) 8.975 12.721 ( -4.352 6.629 1.042) 7.998 13.223 ( -2.334 2.438 -2.336) 4.105 13.372 ( 6.442 -6.751 5.199) 10.682 14.136 ( 1.478 -1.084 -3.022) 3.534 14.806 ( -7.057 -12.294 -4.718) 14.940 14.934 ( -9.660 2.667 -20.182) 22.534 15.607 ( 15.318 4.254 -20.911) 26.268 15.878 ( -5.015 4.672 -25.978) 26.867 16.080 ( -5.129 -1.265 -0.040) 5.283 17.331 ( -12.373 -6.490 -23.777) 27.578 20.164 ( 10.995 4.714 39.315) 41.095 21.453 ( 2.308 -13.278 30.659) 33.491 23.623 ( -4.005 -3.611 -13.145) 14.208 24.150 ( 14.491 -8.664 -11.052) 20.180 ======================= Grid point 211 (69/180) ======================= q-point: ( 0.18 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 19.382 10.494 20.356) 30.002 2.680 ( 27.211 10.662 31.405) 42.900 4.645 ( -0.754 -4.932 -0.018) 4.989 4.720 ( 25.177 5.462 14.600) 29.612 5.024 ( 2.022 12.494 19.150) 22.954 5.694 ( 7.858 -1.370 1.736) 8.163 6.506 ( 5.441 0.062 7.036) 8.895 6.842 ( 7.096 5.068 4.913) 10.009 7.097 ( 2.004 0.223 -27.570) 27.644 7.583 ( 10.456 19.036 -18.971) 28.837 7.909 ( 16.410 9.612 -5.060) 19.679 8.333 ( -14.063 -3.478 -7.711) 16.411 8.814 ( -0.630 -15.219 -1.954) 15.356 9.124 ( -6.670 4.898 7.116) 10.914 9.844 ( -20.574 -2.660 14.108) 25.088 9.891 ( -11.184 11.643 9.961) 18.970 10.533 ( 13.272 -8.526 23.719) 28.485 10.629 ( -6.621 3.082 15.635) 17.257 11.349 ( -10.796 -6.302 -16.746) 20.897 11.818 ( 4.241 0.920 -3.469) 5.556 12.140 ( 4.032 -5.904 -4.567) 8.483 12.346 ( 9.322 2.843 -4.403) 10.695 12.632 ( -2.979 6.004 3.428) 7.528 13.208 ( 1.681 2.967 -1.504) 3.727 13.533 ( 7.894 -10.734 3.045) 13.668 14.214 ( 6.051 -2.939 -1.985) 7.014 14.612 ( -11.415 -10.750 -0.281) 15.683 14.733 ( -10.735 1.685 -21.195) 23.818 15.625 ( -9.995 -0.623 -23.478) 25.524 15.809 ( -6.950 4.567 -12.343) 14.883 15.984 ( -2.889 0.068 -8.658) 9.127 17.039 ( -15.343 -2.827 -17.802) 23.671 20.430 ( 14.381 2.831 30.362) 33.715 21.489 ( 0.840 -11.131 25.582) 27.911 23.611 ( 2.294 -1.855 -20.437) 20.648 24.357 ( 5.477 -9.632 -13.270) 17.288 ======================= Grid point 212 (70/180) ======================= q-point: ( 0.27 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 26.053 6.597 5.128) 27.360 3.280 ( 31.332 5.432 26.087) 41.131 4.668 ( 2.721 -1.519 -8.859) 9.392 4.861 ( -0.748 5.508 0.386) 5.572 5.468 ( 27.967 -9.637 7.783) 30.588 5.828 ( 7.539 8.708 -9.077) 14.665 6.634 ( 8.034 -0.782 3.761) 8.905 6.961 ( 2.330 10.531 7.119) 12.923 7.165 ( 2.592 -5.456 -20.861) 21.718 7.758 ( 7.791 16.589 -16.093) 24.390 8.110 ( -0.726 -9.117 -5.519) 10.682 8.312 ( 17.843 6.779 6.757) 20.248 8.761 ( -4.476 -9.452 -6.016) 12.065 8.990 ( -5.509 7.195 4.341) 10.048 9.386 ( -22.898 -7.285 13.136) 27.385 9.723 ( -7.521 17.122 7.942) 20.318 10.403 ( -11.404 -0.385 16.407) 19.984 10.934 ( 17.424 -7.543 10.455) 21.675 11.093 ( -12.087 -3.461 -12.225) 17.536 11.788 ( -4.695 -6.365 -3.436) 8.624 12.171 ( 0.220 -3.656 0.924) 3.777 12.473 ( 2.829 9.557 0.151) 9.968 12.685 ( 6.535 2.332 4.834) 8.456 13.316 ( 9.241 3.195 -3.065) 10.247 13.599 ( -3.628 -13.196 -3.457) 14.116 14.345 ( 4.926 -3.834 -1.892) 6.523 14.414 ( -5.825 -10.137 4.706) 12.603 14.527 ( -8.317 4.603 -21.715) 23.705 15.396 ( -11.134 -1.900 -18.355) 21.552 15.576 ( -14.248 4.498 -9.590) 17.754 15.888 ( -7.221 1.378 -11.820) 13.919 16.744 ( -14.311 3.629 -12.358) 19.253 20.708 ( 12.948 -0.021 22.492) 25.953 21.476 ( -2.230 -10.155 21.148) 23.565 23.695 ( 5.693 -2.565 -24.103) 24.899 24.380 ( -2.451 -8.647 -15.274) 17.722 ======================= Grid point 213 (71/180) ======================= q-point: ( 0.36 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( 26.427 3.480 -4.616) 27.051 3.883 ( 27.566 -0.730 22.861) 35.820 4.676 ( -2.883 6.063 -10.650) 12.590 4.865 ( 0.336 -2.436 7.170) 7.580 5.788 ( 7.492 1.150 -23.746) 24.926 6.163 ( 21.676 -6.878 -10.072) 24.872 6.770 ( -0.558 2.924 -5.987) 6.686 6.867 ( -6.334 7.424 -11.252) 14.895 7.233 ( 7.510 2.557 6.325) 10.146 7.975 ( 12.722 -2.564 -6.427) 14.482 8.118 ( -4.524 -14.470 1.220) 15.210 8.600 ( 7.071 6.680 -0.927) 9.772 8.674 ( -1.743 3.590 3.216) 5.125 9.011 ( 7.931 8.485 6.815) 13.466 9.020 ( -8.120 -9.004 3.421) 12.598 9.567 ( -7.660 16.658 7.383) 19.766 10.153 ( -13.345 -0.390 11.342) 17.518 10.680 ( -22.291 -2.249 -6.741) 23.396 11.357 ( 16.180 -6.581 -0.738) 17.483 11.709 ( -2.673 -9.322 -1.675) 9.842 12.187 ( 3.720 -5.015 2.989) 6.922 12.553 ( 5.553 9.500 8.127) 13.680 12.759 ( -0.249 4.978 3.386) 6.026 13.367 ( -17.713 -16.820 -8.556) 25.882 13.556 ( 13.845 2.510 -2.986) 14.384 14.317 ( -4.694 -1.372 4.225) 6.463 14.375 ( -1.028 -0.631 -13.810) 13.862 14.517 ( 5.727 -5.428 -7.331) 10.770 15.219 ( -7.880 -1.752 -7.968) 11.343 15.284 ( -13.153 -2.636 -14.840) 20.004 15.758 ( -3.130 10.909 -11.471) 16.137 16.450 ( -15.370 10.632 -8.786) 20.651 20.941 ( 10.425 -3.418 17.042) 20.268 21.402 ( -5.022 -9.690 17.281) 20.439 23.828 ( 7.388 -4.006 -25.034) 26.407 24.287 ( -6.330 -7.733 -18.065) 20.645 ======================= Grid point 214 (72/180) ======================= q-point: ( 0.45 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.042 ( 20.368 0.741 -8.181) 21.962 4.267 ( 4.284 -6.882 6.473) 10.374 4.623 ( 3.314 9.629 4.231) 11.027 4.799 ( -7.849 -0.272 14.482) 16.474 5.984 ( 13.501 2.450 -30.354) 33.312 6.292 ( -13.296 -5.598 -27.027) 30.636 6.725 ( 9.153 6.488 -10.463) 15.341 6.867 ( -2.388 5.147 -9.662) 11.205 7.471 ( 15.702 -2.233 8.900) 18.186 7.834 ( -19.250 -11.891 6.425) 23.521 8.214 ( 11.553 -11.704 0.839) 16.467 8.465 ( -12.950 -7.679 3.938) 15.562 8.866 ( 12.038 14.392 1.554) 18.827 8.993 ( 1.194 4.245 0.250) 4.417 9.262 ( 11.836 1.598 -1.784) 12.076 9.471 ( -3.601 11.992 6.886) 14.290 9.941 ( -1.881 1.230 7.056) 7.405 10.210 ( -22.678 0.854 5.649) 23.386 11.573 ( 6.311 -7.245 -6.285) 11.481 11.660 ( -3.010 -8.211 -3.257) 9.332 12.383 ( 14.750 -2.078 0.403) 14.901 12.642 ( -6.330 6.636 3.444) 9.796 12.720 ( 6.237 2.486 5.905) 8.941 12.983 ( -18.213 -16.732 -1.577) 24.783 13.843 ( 14.448 0.198 -3.845) 14.952 14.122 ( -12.961 -2.485 -3.214) 13.583 14.473 ( 8.997 5.165 -8.365) 13.326 14.609 ( -0.307 -3.610 -5.496) 6.583 15.030 ( -4.578 -1.728 -9.700) 10.864 15.104 ( -8.019 -16.187 -10.805) 21.050 15.841 ( 11.035 19.276 -9.495) 24.156 16.130 ( -16.204 16.522 -7.788) 24.417 21.129 ( 8.418 -6.545 14.426) 17.939 21.282 ( -6.903 -8.687 14.696) 18.414 23.984 ( 8.018 -5.494 -23.888) 25.789 24.143 ( -7.776 -6.754 -21.271) 23.634 ======================= Grid point 220 (73/180) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 0.000 16.652 28.860) 33.320 2.593 ( 0.000 16.689 33.877) 37.765 4.516 ( 0.000 29.883 31.760) 43.609 4.776 ( 0.000 -10.417 -5.703) 11.876 5.248 ( 0.000 9.193 40.838) 41.860 5.542 ( 0.000 14.378 9.702) 17.345 6.168 ( 0.000 -0.321 4.316) 4.328 7.101 ( 0.000 12.224 9.548) 15.511 7.443 ( 0.000 14.990 13.476) 20.157 7.520 ( 0.000 19.066 -26.127) 32.344 7.794 ( 0.000 14.382 -37.354) 40.027 8.502 ( 0.000 0.962 28.282) 28.298 8.762 ( 0.000 -0.329 -24.832) 24.835 9.323 ( 0.000 1.179 5.718) 5.839 9.845 ( 0.000 -22.752 21.106) 31.034 9.984 ( 0.000 -18.508 9.359) 20.740 10.847 ( 0.000 -7.304 18.211) 19.621 10.873 ( 0.000 9.148 -17.407) 19.664 11.341 ( 0.000 6.707 15.126) 16.546 11.441 ( 0.000 -0.479 0.765) 0.902 11.873 ( 0.000 -1.492 1.150) 1.884 11.955 ( 0.000 -12.793 -5.292) 13.845 12.944 ( 0.000 9.747 0.702) 9.773 13.213 ( 0.000 -3.581 -5.301) 6.397 13.282 ( 0.000 -3.034 9.767) 10.227 14.172 ( 0.000 4.711 -7.746) 9.066 14.573 ( 0.000 -16.675 -1.128) 16.713 15.274 ( 0.000 3.966 -29.477) 29.743 15.393 ( 0.000 4.813 -14.676) 15.445 16.051 ( 0.000 6.789 -26.631) 27.483 16.077 ( 0.000 -4.077 -1.216) 4.255 17.250 ( 0.000 -13.341 -23.343) 26.887 20.187 ( 0.000 8.156 43.794) 44.547 21.088 ( 0.000 -16.278 42.001) 45.045 23.564 ( 0.000 -4.671 -3.470) 5.819 23.880 ( 0.000 -1.904 -12.149) 12.297 ======================= Grid point 221 (74/180) ======================= q-point: ( 0.09 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 13.204 15.163 26.822) 33.521 2.644 ( 5.957 16.288 31.313) 35.795 4.609 ( 7.326 15.969 21.743) 27.954 4.655 ( -5.983 -0.750 3.989) 7.230 5.412 ( 0.066 2.757 18.489) 18.694 5.505 ( 8.949 22.754 19.470) 31.256 6.317 ( 12.646 -2.200 1.548) 12.929 6.908 ( -12.782 5.588 -1.928) 14.082 7.331 ( -3.733 15.350 0.135) 15.798 7.774 ( 12.361 21.960 -12.751) 28.242 7.902 ( 10.670 14.025 -24.067) 29.829 8.522 ( 1.306 -1.803 18.156) 18.292 8.628 ( -12.193 -1.620 -19.637) 23.171 9.317 ( -0.846 2.916 5.579) 6.352 9.838 ( -8.757 -21.871 14.812) 27.828 9.950 ( 5.341 -14.886 17.820) 23.826 10.503 ( -14.657 2.920 3.555) 15.362 10.956 ( -6.959 9.471 15.159) 19.181 11.408 ( -4.597 -1.560 -8.164) 9.498 11.591 ( 19.409 -2.125 -1.693) 19.598 11.869 ( 4.997 -2.941 -0.650) 5.835 12.110 ( 8.949 -9.902 -2.833) 13.644 12.892 ( -4.786 9.745 1.157) 10.918 13.179 ( 0.427 -9.878 2.567) 10.215 13.313 ( 0.792 3.937 4.496) 6.028 14.142 ( -1.843 2.334 -4.690) 5.554 14.500 ( -7.131 -16.556 -2.291) 18.171 15.022 ( -11.337 5.536 -24.932) 27.943 15.644 ( 7.877 -1.657 -17.963) 19.684 15.980 ( -5.295 3.884 -22.635) 23.568 16.035 ( -3.514 -2.491 -3.023) 5.262 17.162 ( -7.970 -9.354 -22.389) 25.540 20.279 ( 8.412 5.845 40.021) 41.311 21.146 ( 4.683 -14.918 36.811) 39.995 23.553 ( -0.213 -2.375 -9.613) 9.905 23.996 ( 9.057 -6.198 -10.250) 15.017 ======================= Grid point 222 (75/180) ======================= q-point: ( 0.18 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 16.515 15.038 17.245) 28.218 2.902 ( 21.479 9.961 27.272) 36.115 4.556 ( -0.700 -4.863 -2.786) 5.649 4.861 ( 15.084 6.491 13.656) 21.358 5.245 ( -10.502 10.088 5.231) 15.473 5.828 ( 15.713 16.242 13.205) 26.173 6.540 ( 6.337 2.354 7.576) 10.153 6.812 ( 7.121 -6.209 -16.239) 18.788 7.266 ( -3.169 13.703 -0.754) 14.084 7.969 ( 7.779 17.113 -15.752) 24.525 8.124 ( 3.377 8.622 -2.759) 9.662 8.320 ( -8.187 4.655 -8.729) 12.841 8.604 ( 4.757 -3.179 -3.449) 6.681 9.252 ( -6.097 3.303 3.697) 7.858 9.565 ( -16.241 -13.915 11.930) 24.489 10.092 ( 0.283 -2.136 17.676) 17.806 10.343 ( 3.955 -7.368 13.986) 16.295 10.795 ( -7.436 12.421 14.138) 20.235 11.232 ( -10.733 -3.321 -13.564) 17.613 11.815 ( -3.782 -2.037 -3.449) 5.508 12.008 ( 9.912 -6.600 -5.611) 13.164 12.327 ( 13.370 -4.782 -0.464) 14.207 12.799 ( -3.545 9.393 1.719) 10.186 13.258 ( 5.613 -11.927 6.008) 14.486 13.328 ( 1.992 5.581 3.082) 6.679 14.135 ( 1.114 -3.933 -2.173) 4.629 14.308 ( -10.764 -16.619 -4.276) 20.257 14.847 ( -6.907 8.002 -23.442) 25.715 15.565 ( -12.079 -6.883 -16.204) 21.350 15.845 ( -9.632 -1.700 -8.102) 12.700 16.022 ( 1.374 4.584 -13.966) 14.763 16.982 ( -8.980 -2.435 -18.537) 20.741 20.478 ( 10.416 0.690 31.923) 33.586 21.226 ( 2.495 -12.661 28.732) 31.496 23.572 ( 2.116 -1.639 -16.209) 16.429 24.148 ( 4.754 -9.909 -11.200) 15.692 ======================= Grid point 223 (76/180) ======================= q-point: ( 0.27 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 21.752 11.191 6.498) 25.311 3.390 ( 25.489 4.854 21.525) 33.713 4.617 ( 5.951 -4.070 -4.288) 8.388 5.031 ( -8.901 10.313 -0.031) 13.623 5.225 ( 19.676 -11.199 1.755) 22.707 6.048 ( 6.141 11.510 -10.725) 16.889 6.688 ( 10.779 5.651 8.812) 15.026 7.052 ( 10.964 -6.897 -16.911) 21.302 7.204 ( -2.364 12.396 2.429) 12.851 7.882 ( -13.700 -6.069 -5.151) 15.845 8.051 ( -0.880 3.855 -4.950) 6.336 8.485 ( 13.301 10.621 -3.917) 17.466 8.745 ( 8.817 9.858 -3.827) 13.768 9.074 ( -12.638 -9.653 3.746) 16.338 9.256 ( -11.010 5.010 9.686) 15.496 9.961 ( -8.499 4.227 5.743) 11.094 10.449 ( -5.051 2.699 29.533) 30.083 10.797 ( 11.643 -2.407 3.358) 12.354 10.996 ( -12.228 -4.973 -14.275) 19.443 11.649 ( -8.629 -6.633 -2.131) 11.091 12.128 ( 1.540 -0.882 -3.087) 3.561 12.571 ( 9.304 -3.204 2.376) 10.123 12.768 ( 0.580 7.400 3.438) 8.181 13.289 ( -5.888 -15.863 2.837) 17.157 13.420 ( 8.055 6.597 0.123) 10.412 14.096 ( -4.247 -17.059 2.100) 17.705 14.213 ( 1.781 -7.370 -8.042) 11.053 14.731 ( -4.738 10.305 -20.826) 23.714 15.290 ( -14.075 -8.200 -12.343) 20.438 15.624 ( -11.525 2.214 -7.763) 14.070 16.024 ( -0.617 10.223 -15.698) 18.744 16.818 ( -7.671 3.173 -13.188) 15.583 20.668 ( 8.344 -5.306 24.358) 26.288 21.233 ( -1.802 -11.582 22.859) 25.689 23.634 ( 3.943 -3.105 -19.961) 20.582 24.173 ( -1.972 -10.837 -13.528) 17.445 ======================= Grid point 224 (77/180) ======================= q-point: ( 0.36 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( 22.618 6.665 -0.591) 23.587 3.867 ( 20.896 -0.410 15.996) 26.319 4.744 ( 5.242 -4.521 2.839) 7.481 4.878 ( -5.678 8.065 -2.973) 10.302 5.643 ( 20.142 -14.064 -13.457) 28.011 6.120 ( 2.267 2.443 -26.490) 26.699 6.905 ( 7.795 9.269 1.555) 12.211 7.025 ( -7.942 6.354 -19.977) 22.417 7.298 ( 7.940 3.528 10.590) 13.698 7.730 ( -3.446 -13.779 -1.424) 14.275 7.952 ( -5.944 -6.816 1.902) 9.242 8.631 ( -14.018 -8.926 1.797) 16.716 8.870 ( 14.986 16.217 -3.534) 22.362 8.927 ( 4.159 3.722 3.901) 6.809 9.213 ( 3.866 10.700 4.226) 12.137 9.815 ( -4.815 5.641 8.878) 11.568 10.227 ( -14.275 9.452 20.300) 26.555 10.635 ( -19.250 -1.492 -8.258) 20.999 11.168 ( 17.006 -11.960 -1.905) 20.878 11.544 ( -1.678 -5.782 -3.939) 7.194 12.116 ( -0.728 -1.759 2.298) 2.984 12.679 ( 1.334 -4.640 6.417) 8.030 12.798 ( 1.100 1.612 4.444) 4.853 13.027 ( -16.657 -12.529 -5.089) 21.456 13.634 ( 12.154 5.099 2.294) 13.378 14.101 ( 4.443 -17.255 -1.014) 17.847 14.228 ( -1.941 -4.877 -1.760) 5.536 14.650 ( -3.791 3.681 -19.753) 20.447 15.037 ( -9.945 -4.492 -12.147) 16.328 15.402 ( -10.884 8.617 -11.462) 18.002 16.052 ( 4.608 15.685 -13.543) 21.229 16.654 ( -9.156 8.577 -9.154) 15.530 20.813 ( 6.367 -10.285 19.053) 22.568 21.162 ( -4.883 -11.944 18.732) 22.746 23.727 ( 5.261 -5.517 -21.496) 22.808 24.092 ( -5.529 -10.643 -16.341) 20.270 ======================= Grid point 225 (78/180) ======================= q-point: ( 0.45 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.056 ( 14.272 0.120 0.702) 14.290 4.157 ( 5.711 -3.755 7.782) 10.357 4.780 ( 0.457 0.680 8.514) 8.553 4.821 ( -1.794 7.569 -2.319) 8.117 5.966 ( 12.019 -7.442 -27.218) 30.670 6.131 ( -3.340 -7.725 -31.337) 32.447 6.895 ( 1.504 9.190 -14.538) 17.265 6.990 ( -3.183 6.053 -12.701) 14.425 7.456 ( 7.456 0.663 14.656) 16.457 7.603 ( -7.913 -8.504 11.247) 16.169 7.973 ( 8.597 -11.643 -1.102) 14.515 8.258 ( -18.410 -11.648 0.079) 21.786 9.046 ( 7.724 3.766 1.583) 8.738 9.185 ( -1.993 10.141 0.576) 10.351 9.344 ( 21.560 9.960 1.583) 23.802 9.757 ( -10.835 14.426 16.188) 24.239 9.986 ( 0.150 3.960 7.078) 8.112 10.238 ( -18.610 2.332 6.208) 19.756 11.431 ( 8.697 -7.090 -11.246) 15.887 11.532 ( -1.685 -4.265 -9.926) 10.934 12.197 ( 10.682 -12.345 8.878) 18.583 12.509 ( -17.429 -22.448 7.681) 29.439 12.804 ( 1.098 4.460 1.715) 4.903 12.839 ( -2.546 4.665 -1.034) 5.414 13.874 ( 11.607 2.317 2.620) 12.123 14.094 ( -9.689 -0.668 0.515) 9.726 14.274 ( 11.342 -16.366 -2.635) 20.085 14.516 ( -10.859 -12.010 -10.062) 19.063 14.986 ( 5.610 8.090 -19.603) 21.936 15.177 ( -11.429 11.202 -17.509) 23.720 16.215 ( 10.870 17.037 -9.230) 22.218 16.446 ( -11.470 13.847 -7.637) 19.535 20.933 ( 5.843 -12.782 16.361) 21.569 21.051 ( -5.913 -12.868 16.357) 21.635 23.841 ( 6.152 -7.922 -21.102) 23.365 23.969 ( -6.462 -9.698 -19.150) 22.417 ======================= Grid point 231 (79/180) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 0.000 14.865 17.836) 23.219 2.909 ( 0.000 13.001 23.703) 27.034 4.583 ( 0.000 -7.562 2.302) 7.904 4.743 ( 0.000 -2.883 19.819) 20.027 5.600 ( 0.000 17.776 17.542) 24.974 6.103 ( 0.000 42.091 25.331) 49.125 6.153 ( 0.000 -1.762 3.034) 3.509 7.390 ( 0.000 16.746 16.466) 23.485 7.791 ( 0.000 18.358 12.846) 22.406 7.860 ( 0.000 12.305 -11.552) 16.878 8.013 ( 0.000 4.920 -29.998) 30.399 8.665 ( 0.000 11.906 9.370) 15.151 8.697 ( 0.000 -8.942 -15.763) 18.123 9.336 ( 0.000 0.554 5.826) 5.852 9.392 ( 0.000 -17.456 11.647) 20.985 9.605 ( 0.000 -18.889 10.492) 21.607 10.695 ( 0.000 -6.192 12.106) 13.598 10.942 ( 0.000 -3.893 -16.910) 17.352 11.440 ( 0.000 1.082 -0.153) 1.093 11.457 ( 0.000 4.024 11.631) 12.308 11.782 ( 0.000 -3.311 0.466) 3.344 11.839 ( 0.000 -1.519 3.718) 4.016 13.117 ( 0.000 -3.579 -0.739) 3.654 13.170 ( 0.000 10.941 1.331) 11.021 13.184 ( 0.000 -6.082 11.330) 12.859 14.150 ( 0.000 -15.862 -5.113) 16.666 14.416 ( 0.000 10.217 -5.056) 11.399 15.249 ( 0.000 -6.277 -24.022) 24.829 15.501 ( 0.000 6.079 -15.691) 16.827 15.967 ( 0.000 -6.771 -4.330) 8.037 16.209 ( 0.000 8.824 -26.193) 27.640 16.954 ( 0.000 -15.289 -22.610) 27.294 20.353 ( 0.000 7.922 43.222) 43.942 20.812 ( 0.000 -10.860 42.981) 44.332 23.545 ( 0.000 2.096 -6.253) 6.595 23.824 ( 0.000 -3.732 -10.592) 11.230 ======================= Grid point 232 (80/180) ======================= q-point: ( 0.09 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 9.888 12.844 17.456) 23.821 2.961 ( 5.466 14.019 22.069) 26.710 4.481 ( -5.728 -7.986 4.758) 10.919 4.827 ( 4.584 -0.947 14.056) 14.815 5.616 ( -0.422 14.863 10.139) 17.997 6.112 ( 3.606 28.765 15.627) 32.934 6.282 ( 10.710 5.621 7.051) 14.001 7.062 ( -21.809 9.553 10.307) 25.944 7.669 ( -5.112 16.745 1.013) 17.537 8.109 ( 8.152 7.286 -24.525) 26.852 8.226 ( 17.228 18.189 5.385) 25.625 8.502 ( -4.307 -1.823 -5.929) 7.552 8.663 ( -11.885 3.789 -10.409) 16.247 9.160 ( -6.726 -20.836 15.342) 26.735 9.584 ( 6.571 -1.702 5.104) 8.492 9.640 ( 6.123 -11.796 14.417) 19.608 10.476 ( -12.084 -3.070 3.528) 12.957 11.058 ( -4.304 -1.303 5.355) 6.993 11.480 ( 10.000 4.273 -16.324) 19.615 11.509 ( 4.249 -1.778 8.879) 10.003 11.811 ( -0.366 -3.293 -1.684) 3.717 11.941 ( 11.044 -5.170 7.595) 14.366 12.941 ( -7.319 -9.407 8.034) 14.373 13.134 ( -2.323 11.030 0.844) 11.303 13.378 ( 8.906 1.815 4.612) 10.192 14.084 ( -6.339 -15.026 -4.441) 16.902 14.340 ( -7.154 8.312 -4.153) 11.726 15.137 ( -7.084 4.916 -27.043) 28.384 15.532 ( -3.283 -8.615 -13.053) 15.981 15.907 ( -5.846 -6.756 -7.946) 11.957 16.092 ( -4.326 3.914 -16.957) 17.932 16.989 ( 0.674 -7.128 -23.892) 24.942 20.367 ( 1.817 2.291 40.572) 40.678 20.916 ( 8.249 -7.098 38.296) 39.812 23.544 ( 0.147 1.366 -8.798) 8.904 23.889 ( 5.269 -4.775 -10.296) 12.513 ======================= Grid point 233 (81/180) ======================= q-point: ( 0.18 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( 17.057 7.173 18.145) 25.915 3.143 ( 13.183 15.044 14.232) 24.550 4.422 ( 0.278 -8.326 1.086) 8.401 4.903 ( 3.647 -2.061 9.524) 10.405 5.525 ( -8.250 16.841 1.056) 18.783 6.222 ( 3.680 15.970 -1.212) 16.433 6.537 ( 13.230 -0.651 1.766) 13.363 6.769 ( -2.485 5.271 10.377) 11.902 7.551 ( -6.555 13.062 0.304) 14.617 8.141 ( -13.372 -0.568 -8.919) 16.084 8.236 ( -7.181 4.205 -2.651) 8.733 8.500 ( 6.267 10.082 -14.468) 18.715 8.742 ( 17.796 14.675 -2.124) 23.164 8.984 ( -10.423 -22.737 11.661) 27.597 9.576 ( -5.320 8.694 3.833) 10.889 9.886 ( 13.526 -13.366 21.705) 28.857 10.277 ( -6.632 -0.592 3.940) 7.736 10.927 ( -5.871 -0.736 0.450) 5.934 11.331 ( -11.886 11.991 3.049) 17.157 11.710 ( -8.282 -7.345 -1.666) 11.194 11.900 ( 16.901 -4.637 -13.734) 22.266 12.196 ( 12.428 -6.586 10.188) 17.368 12.882 ( 0.139 -7.135 6.818) 9.869 13.090 ( -1.655 3.390 4.626) 5.969 13.500 ( 3.761 8.607 2.150) 9.636 13.911 ( -10.609 -16.827 -2.527) 20.052 14.189 ( -5.643 5.138 -6.760) 10.195 15.001 ( -8.211 4.851 -28.718) 30.260 15.336 ( -10.640 -13.274 -6.126) 18.082 15.802 ( -5.216 -1.995 -9.442) 10.970 16.117 ( 4.675 3.745 -12.796) 14.129 16.947 ( -4.052 -1.020 -20.999) 21.411 20.418 ( 2.759 -6.211 33.058) 33.750 21.060 ( 4.859 -3.321 31.316) 31.865 23.555 ( 0.989 0.025 -12.700) 12.739 23.978 ( 2.564 -6.848 -11.341) 13.493 ======================= Grid point 234 (82/180) ======================= q-point: ( 0.27 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( 17.757 4.954 15.735) 24.237 3.501 ( 21.006 9.701 5.851) 23.867 4.488 ( 5.637 -8.076 0.639) 9.870 4.989 ( 4.541 -7.476 -1.313) 8.845 5.359 ( -5.366 16.943 -1.368) 17.825 6.199 ( -3.639 0.824 -19.292) 19.649 6.793 ( 13.292 0.593 -1.084) 13.350 6.952 ( 14.041 3.363 8.339) 16.674 7.431 ( -4.832 9.092 0.026) 10.296 7.780 ( -17.849 -3.388 -8.852) 20.209 8.052 ( -11.578 -2.757 -4.348) 12.671 8.667 ( -4.893 -4.941 -1.835) 7.191 8.821 ( 7.688 0.616 4.022) 8.698 9.061 ( 10.040 18.056 2.560) 20.818 9.447 ( -4.474 9.845 4.331) 11.649 9.954 ( -5.856 -3.816 8.577) 11.064 10.359 ( 12.493 -8.228 20.338) 25.247 10.832 ( -3.959 -0.784 -2.787) 4.905 11.029 ( -17.382 11.062 -1.182) 20.637 11.548 ( -6.136 -2.837 -2.901) 7.357 12.113 ( 4.316 -1.339 -7.924) 9.122 12.385 ( 4.999 -13.117 11.852) 18.371 12.876 ( -1.220 -3.167 1.561) 3.736 13.026 ( -6.288 -3.595 2.646) 7.711 13.586 ( 6.112 9.062 1.677) 11.058 13.740 ( -3.501 -17.025 -0.272) 17.384 14.143 ( 0.087 0.600 -8.970) 8.990 14.772 ( -13.513 -9.112 -21.200) 26.741 15.214 ( -3.128 3.863 -7.257) 8.796 15.694 ( -5.223 4.160 -11.951) 13.689 16.220 ( 5.245 8.106 -13.115) 16.285 16.861 ( -4.159 1.036 -15.654) 16.231 20.467 ( 2.318 -12.921 25.906) 29.042 21.087 ( -2.173 -2.969 25.859) 26.120 23.582 ( 1.701 -1.813 -15.783) 15.977 23.975 ( -2.613 -8.173 -13.319) 15.844 ======================= Grid point 235 (83/180) ======================= q-point: ( 0.36 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 16.158 0.903 12.356) 20.361 3.905 ( 17.526 5.164 3.243) 18.556 4.613 ( 6.759 -5.742 3.262) 9.450 5.027 ( -0.880 2.349 -13.308) 13.543 5.429 ( 12.124 -2.252 -5.180) 13.375 6.114 ( -5.263 -5.406 -26.969) 28.004 7.018 ( 6.596 -0.182 -13.757) 15.258 7.164 ( 4.101 10.345 2.289) 11.362 7.370 ( -0.196 3.257 4.491) 5.551 7.536 ( -4.011 -6.020 -6.603) 9.794 7.816 ( -9.933 -6.314 -1.263) 11.837 8.388 ( -17.481 -12.697 2.789) 21.785 9.071 ( 4.232 9.626 8.651) 13.617 9.196 ( 14.205 13.153 -0.184) 19.360 9.442 ( -0.395 11.278 2.014) 11.463 9.867 ( 0.967 2.417 12.444) 12.713 10.450 ( -8.938 8.558 30.198) 32.635 10.642 ( -16.405 2.029 -10.426) 19.543 10.910 ( 11.238 -10.741 -1.911) 15.662 11.487 ( -0.596 -0.543 -8.010) 8.050 12.105 ( -3.867 0.073 -2.964) 4.873 12.318 ( -11.620 -22.462 15.176) 29.494 12.854 ( 0.450 -5.560 -3.856) 6.781 12.926 ( -2.012 5.959 -2.754) 6.866 13.706 ( 4.060 -5.260 1.228) 6.758 13.814 ( 10.547 -3.726 4.493) 12.055 14.149 ( -1.096 -2.638 -4.696) 5.496 14.506 ( -12.023 -12.318 -15.365) 23.073 15.165 ( -1.231 11.194 -15.136) 18.865 15.580 ( -7.066 8.231 -18.079) 21.084 16.342 ( 7.413 12.358 -11.317) 18.323 16.779 ( -4.384 3.698 -10.238) 11.735 20.526 ( 4.016 -15.992 21.280) 26.920 20.984 ( -7.599 -5.822 21.722) 23.738 23.625 ( 2.639 -4.153 -17.636) 18.309 23.891 ( -5.240 -8.528 -15.485) 18.439 ======================= Grid point 236 (84/180) ======================= q-point: ( 0.45 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.029 ( 9.402 -2.538 12.532) 15.871 4.114 ( 2.210 -1.299 9.089) 9.444 4.790 ( 10.858 1.970 -5.193) 12.196 4.971 ( -5.657 5.829 -11.787) 14.314 5.725 ( 14.862 -12.173 -17.013) 25.662 5.970 ( -9.441 -10.181 -26.268) 29.711 7.039 ( -0.211 4.333 -21.406) 21.842 7.110 ( -6.111 6.313 -17.269) 19.376 7.456 ( 6.333 0.023 12.957) 14.422 7.553 ( -0.780 1.426 9.845) 9.979 7.756 ( 6.970 -9.559 -2.787) 12.154 8.029 ( -17.262 -10.503 0.094) 20.206 9.129 ( 5.326 4.552 4.016) 8.075 9.283 ( -8.538 2.694 2.903) 9.412 9.636 ( 21.656 14.188 7.007) 26.821 9.985 ( 1.299 8.588 25.136) 26.595 10.147 ( -10.157 11.343 5.762) 16.280 10.334 ( -14.780 8.050 6.288) 17.967 11.210 ( 15.619 -16.052 -5.124) 22.975 11.447 ( -6.180 -6.822 -11.603) 14.811 12.017 ( -2.659 -5.069 4.783) 7.459 12.076 ( -8.739 -15.555 9.692) 20.304 12.886 ( 1.662 0.724 -3.327) 3.789 12.907 ( -0.631 5.456 -2.440) 6.010 13.814 ( 7.773 -11.102 -0.859) 13.579 13.990 ( -4.807 -11.008 2.741) 12.321 14.101 ( 7.449 2.046 -0.441) 7.738 14.307 ( -9.366 -4.966 -3.617) 11.201 15.213 ( 6.663 11.408 -25.127) 28.388 15.399 ( -10.379 9.714 -24.866) 28.643 16.510 ( 8.803 11.906 -8.010) 16.835 16.670 ( -6.765 8.060 -7.384) 12.855 20.639 ( 7.291 -14.712 19.074) 25.168 20.809 ( -9.239 -10.477 19.260) 23.792 23.691 ( 3.972 -6.420 -18.117) 19.627 23.784 ( -5.213 -7.964 -17.285) 19.733 ======================= Grid point 242 (85/180) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 0.000 10.290 10.667) 14.822 3.058 ( 0.000 0.851 13.353) 13.381 4.513 ( 0.000 1.232 14.305) 14.358 4.614 ( 0.000 -7.421 21.275) 22.532 5.893 ( 0.000 11.734 4.157) 12.448 6.075 ( 0.000 -6.290 2.512) 6.773 7.028 ( 0.000 45.172 21.912) 50.206 7.757 ( 0.000 18.067 14.620) 23.241 7.783 ( 0.000 -24.855 5.972) 25.562 8.014 ( 0.000 -4.527 -1.555) 4.787 8.129 ( 0.000 14.036 2.483) 14.254 8.392 ( 0.000 -15.360 -8.434) 17.523 8.904 ( 0.000 11.702 -4.344) 12.482 9.162 ( 0.000 -12.791 -1.230) 12.850 9.342 ( 0.000 -2.242 4.192) 4.754 9.348 ( 0.000 0.132 5.508) 5.509 10.645 ( 0.000 1.984 2.866) 3.486 10.773 ( 0.000 -9.673 -8.434) 12.834 11.472 ( 0.000 1.501 0.182) 1.512 11.492 ( 0.000 -0.179 4.980) 4.983 11.789 ( 0.000 2.105 2.447) 3.228 11.819 ( 0.000 -0.799 4.204) 4.279 13.046 ( 0.000 -1.588 7.044) 7.220 13.073 ( 0.000 -4.027 11.267) 11.965 13.446 ( 0.000 15.455 -0.022) 15.455 13.787 ( 0.000 -18.069 -1.508) 18.132 14.715 ( 0.000 16.753 -11.243) 20.176 15.037 ( 0.000 -14.108 -17.142) 22.201 15.642 ( 0.000 7.885 -13.386) 15.536 15.811 ( 0.000 -8.427 -8.763) 12.157 16.408 ( 0.000 11.019 -25.619) 27.888 16.658 ( 0.000 -13.693 -24.251) 27.850 20.500 ( 0.000 6.732 42.548) 43.077 20.636 ( 0.000 -7.165 42.370) 42.972 23.623 ( 0.000 5.109 -8.039) 9.525 23.732 ( 0.000 -5.240 -9.247) 10.628 ======================= Grid point 243 (86/180) ======================= q-point: ( 0.09 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 5.651 6.896 11.346) 14.430 3.159 ( 9.138 4.738 11.759) 15.627 4.355 ( -8.207 -3.566 12.620) 15.471 4.752 ( 6.589 -3.494 17.458) 18.984 5.876 ( -1.481 9.053 3.494) 9.816 6.152 ( 6.795 -3.787 -1.512) 7.924 6.918 ( -9.361 31.708 14.895) 36.261 7.221 ( -25.420 2.129 10.907) 27.743 7.955 ( -7.668 9.675 -1.370) 12.421 8.084 ( 11.270 -7.120 -2.199) 13.511 8.333 ( 4.161 -9.228 8.315) 13.100 8.546 ( 22.123 6.080 4.617) 23.404 8.703 ( -13.679 0.327 -4.503) 14.405 8.860 ( -20.120 -3.703 -1.165) 20.491 9.376 ( 13.248 -7.486 1.027) 15.252 9.696 ( 10.582 3.968 4.621) 12.209 10.436 ( -9.609 -0.637 -2.224) 9.883 10.979 ( 1.295 -3.889 8.493) 9.430 11.392 ( 8.954 -3.128 -9.915) 13.721 11.624 ( 1.448 2.072 -1.407) 2.893 11.776 ( -3.300 1.512 -4.130) 5.498 11.890 ( 9.709 -1.460 15.531) 18.374 12.786 ( -9.247 -4.464 12.405) 16.103 13.366 ( -0.952 6.513 3.309) 7.367 13.406 ( 9.953 5.410 1.974) 11.499 13.761 ( -3.393 -14.182 -1.598) 14.670 14.593 ( -9.662 12.360 -10.985) 19.152 15.121 ( 5.935 -7.482 -11.674) 15.082 15.413 ( -24.746 -0.457 -22.365) 33.359 15.780 ( -1.434 -4.508 -9.875) 10.950 16.147 ( -6.932 1.372 -13.631) 15.354 16.891 ( 8.266 -2.443 -26.508) 27.875 20.378 ( -5.481 -0.335 40.298) 40.670 20.846 ( 12.722 -0.956 38.482) 40.542 23.588 ( -1.860 2.081 -8.989) 9.412 23.806 ( 5.033 -2.870 -9.923) 11.490 ======================= Grid point 244 (87/180) ======================= q-point: ( 0.18 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 11.774 3.379 12.265) 17.334 3.397 ( 14.278 8.207 9.148) 18.838 4.260 ( -0.486 -5.853 2.708) 6.468 4.835 ( 2.031 -2.918 12.467) 12.964 5.827 ( -3.747 10.433 -0.819) 11.116 6.259 ( -1.602 -4.405 -11.831) 12.726 6.661 ( -7.814 5.352 10.494) 14.136 6.988 ( 0.932 11.814 7.055) 13.792 7.743 ( -11.832 4.977 -6.435) 14.359 8.103 ( -12.314 -1.548 12.642) 17.716 8.248 ( -12.413 -1.250 -12.508) 17.667 8.544 ( -4.356 -14.557 11.438) 19.018 8.690 ( 9.395 6.218 -14.432) 18.309 9.043 ( 23.679 10.039 18.360) 31.600 9.625 ( 10.242 -7.267 3.945) 13.163 9.745 ( -4.646 3.129 3.445) 6.576 10.292 ( -5.015 1.226 -2.009) 5.540 10.886 ( -4.877 -1.671 0.287) 5.163 11.511 ( -6.470 3.012 11.954) 13.922 11.593 ( -4.127 -2.997 -2.586) 5.718 11.844 ( 13.394 0.804 -22.396) 26.108 12.091 ( 7.977 -3.818 19.950) 21.822 12.712 ( 1.002 -5.507 13.771) 14.865 13.222 ( -8.089 5.868 -0.755) 10.022 13.609 ( -4.327 -5.501 1.580) 7.175 13.638 ( 1.447 -1.091 -4.005) 4.396 14.395 ( -9.296 13.117 -8.044) 17.977 14.855 ( -23.742 -15.261 -17.264) 33.085 15.249 ( 5.070 2.249 -14.499) 15.524 15.766 ( -0.170 -1.264 -11.780) 11.849 16.163 ( 5.971 0.950 -8.180) 10.172 16.936 ( -2.078 -0.181 -23.811) 23.902 20.300 ( -2.996 -3.786 33.125) 33.475 21.043 ( 5.932 0.269 33.000) 33.530 23.565 ( -0.523 0.565 -11.130) 11.157 23.878 ( 1.499 -2.724 -11.682) 12.089 ======================= Grid point 245 (88/180) ======================= q-point: ( 0.27 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 14.498 0.337 13.364) 19.721 3.712 ( 16.475 7.511 7.028) 19.422 4.349 ( 9.123 -4.322 -8.316) 13.079 4.862 ( 1.519 -4.408 3.489) 5.824 5.717 ( -7.126 16.902 -4.449) 18.875 6.064 ( -10.690 -11.925 -13.441) 20.908 6.779 ( 12.699 0.014 -1.858) 12.834 7.116 ( 10.043 7.085 7.602) 14.451 7.533 ( -8.141 0.980 -6.986) 10.772 7.782 ( -16.827 4.500 -2.038) 17.537 7.947 ( -15.978 -7.400 -10.899) 20.708 8.430 ( -8.161 -8.140 8.252) 14.176 9.003 ( 17.736 7.334 1.640) 19.262 9.391 ( 3.688 12.885 14.119) 19.468 9.606 ( 0.378 5.816 4.415) 7.312 9.789 ( 4.974 -11.630 11.296) 16.959 10.252 ( 2.134 -1.880 0.571) 2.900 10.816 ( -3.356 -0.187 -7.046) 7.806 11.256 ( -16.659 8.196 12.377) 22.313 11.531 ( -2.024 0.140 -5.619) 5.974 12.067 ( 6.671 -2.000 -11.145) 13.142 12.132 ( -4.722 -9.311 17.156) 20.083 12.730 ( -1.193 -4.728 9.069) 10.297 13.094 ( -3.865 4.303 -0.495) 5.805 13.453 ( -2.373 -9.634 -6.364) 11.788 13.750 ( 6.098 5.379 -0.420) 8.143 14.235 ( -6.578 8.585 -7.327) 13.064 14.495 ( -13.923 -14.846 -13.949) 24.675 15.325 ( 2.215 4.011 -12.025) 12.869 15.764 ( -0.642 2.139 -15.717) 15.875 16.330 ( 9.840 2.705 -6.152) 11.916 16.869 ( -3.636 0.025 -19.973) 20.302 20.253 ( -1.330 -6.325 26.798) 27.566 21.064 ( -3.798 -0.205 28.101) 28.358 23.561 ( 0.017 -0.429 -13.562) 13.569 23.858 ( -3.210 -3.084 -13.599) 14.309 ======================= Grid point 246 (89/180) ======================= q-point: ( 0.36 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.738 ( 13.734 -1.885 13.554) 19.388 4.001 ( 10.592 2.647 10.549) 15.182 4.594 ( 14.382 3.432 -16.214) 21.943 4.929 ( 5.324 -7.621 -10.901) 14.327 5.588 ( -4.224 13.749 -4.601) 15.101 5.899 ( -7.054 -14.098 -14.420) 21.365 7.016 ( 8.790 0.475 -15.408) 17.745 7.329 ( 9.463 2.781 8.398) 12.954 7.452 ( 0.543 -0.940 -4.699) 4.823 7.467 ( -13.624 7.368 -17.229) 23.168 7.675 ( -9.412 -8.367 -0.681) 12.612 8.188 ( -15.510 -5.677 3.839) 16.957 9.257 ( -3.474 7.225 9.264) 12.251 9.358 ( 9.388 2.428 10.739) 14.470 9.611 ( -1.519 4.355 -2.396) 5.198 9.981 ( 13.140 8.632 25.233) 29.730 10.378 ( 7.914 -11.978 10.786) 17.956 10.706 ( -7.611 3.487 -10.957) 13.790 10.906 ( -16.123 6.182 11.916) 20.980 11.472 ( -6.706 -1.816 -5.410) 8.806 11.945 ( -8.677 -10.990 13.929) 19.751 12.105 ( -3.038 -0.160 -9.226) 9.715 12.741 ( 4.818 -3.736 -1.323) 6.238 13.058 ( -0.951 5.152 -1.748) 5.523 13.504 ( 4.530 -7.535 -2.367) 9.105 13.882 ( 4.455 3.803 2.879) 6.526 14.122 ( -4.747 -0.351 -1.951) 5.144 14.286 ( -4.867 -7.580 -12.901) 15.734 15.345 ( 0.521 5.192 -16.871) 17.659 15.704 ( -5.940 3.483 -23.244) 24.242 16.526 ( 9.211 5.243 -5.146) 11.782 16.812 ( -2.023 0.168 -13.997) 14.144 20.271 ( 3.711 -7.376 23.056) 24.490 20.908 ( -11.123 -1.889 24.115) 26.624 23.568 ( 0.803 -1.441 -15.422) 15.510 23.769 ( -5.203 -3.233 -15.260) 16.443 ======================= Grid point 247 (90/180) ======================= q-point: ( 0.45 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.976 ( 9.435 -1.950 14.455) 17.372 4.091 ( -1.366 -0.683 14.836) 14.914 4.877 ( 12.193 5.985 -20.830) 24.867 5.010 ( -0.079 -2.641 -21.394) 21.557 5.590 ( 4.863 0.229 -5.388) 7.261 5.743 ( -8.675 -10.366 -11.840) 17.970 7.104 ( 2.281 2.143 -29.179) 29.347 7.209 ( -9.136 2.726 -29.073) 30.597 7.496 ( 5.611 3.736 11.158) 13.036 7.560 ( 3.144 -1.595 8.603) 9.297 7.605 ( 5.735 -4.669 0.662) 7.425 7.860 ( -15.800 -5.158 1.036) 16.653 9.212 ( 1.317 2.887 5.595) 6.433 9.315 ( -7.893 0.378 5.044) 9.374 9.838 ( 18.329 5.143 14.464) 23.909 10.152 ( -5.118 6.392 30.424) 31.506 10.374 ( 1.032 10.645 2.261) 10.931 10.560 ( -10.806 11.777 5.540) 16.916 10.841 ( 13.476 -17.011 2.658) 21.864 11.194 ( -18.674 -14.220 5.176) 24.036 11.908 ( 3.458 -1.321 -2.701) 4.582 12.008 ( -5.615 0.299 -7.980) 9.762 12.894 ( 8.429 0.336 -4.171) 9.410 13.019 ( -3.642 4.428 -3.577) 6.758 13.595 ( 5.697 -7.127 -0.676) 9.149 13.770 ( -11.070 -7.811 -0.331) 13.552 14.177 ( 6.939 3.447 3.522) 8.511 14.263 ( -1.022 -1.248 -1.685) 2.333 15.388 ( 4.734 4.895 -26.743) 27.596 15.539 ( -9.374 3.695 -29.888) 31.541 16.682 ( 6.135 4.751 -5.465) 9.491 16.770 ( -2.805 2.063 -8.192) 8.902 20.411 ( 10.115 -6.467 21.365) 24.507 20.654 ( -13.363 -4.258 21.690) 25.829 23.599 ( 2.480 -2.387 -16.367) 16.725 23.669 ( -4.437 -3.019 -16.289) 17.150 ======================= Grid point 297 (91/180) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 0.000 0.000 38.348) 38.348 3.025 ( 0.000 0.000 36.177) 36.177 4.380 ( 0.000 0.000 9.925) 9.925 4.768 ( 0.000 0.000 -17.471) 17.471 5.742 ( 0.000 0.000 51.546) 51.546 6.236 ( 0.000 0.000 36.197) 36.197 6.310 ( 0.000 0.000 -27.010) 27.010 6.348 ( 0.000 0.000 -1.229) 1.229 6.655 ( 0.000 0.000 -23.303) 23.303 6.996 ( 0.000 0.000 8.188) 8.188 7.114 ( 0.000 0.000 3.758) 3.758 8.131 ( 0.000 0.000 -31.164) 31.164 9.115 ( 0.000 0.000 1.000) 1.000 9.485 ( 0.000 0.000 20.088) 20.088 10.469 ( 0.000 0.000 -2.328) 2.328 10.498 ( 0.000 0.000 9.422) 9.422 10.915 ( 0.000 0.000 -2.042) 2.042 11.136 ( 0.000 0.000 16.905) 16.905 11.280 ( 0.000 0.000 -13.979) 13.979 11.322 ( 0.000 0.000 0.924) 0.924 12.206 ( 0.000 0.000 -4.660) 4.660 12.277 ( 0.000 0.000 33.327) 33.327 12.702 ( 0.000 0.000 1.547) 1.547 13.102 ( 0.000 0.000 -8.404) 8.404 13.339 ( 0.000 0.000 -2.649) 2.649 14.031 ( 0.000 0.000 -7.354) 7.354 14.346 ( 0.000 0.000 -34.622) 34.622 14.853 ( 0.000 0.000 -1.903) 1.903 15.218 ( 0.000 0.000 -1.233) 1.233 15.341 ( 0.000 0.000 -26.809) 26.809 16.184 ( 0.000 0.000 1.582) 1.582 16.987 ( 0.000 0.000 -24.218) 24.218 20.876 ( 0.000 0.000 42.319) 42.319 22.132 ( 0.000 0.000 25.798) 25.798 23.553 ( 0.000 0.000 -20.906) 20.906 23.696 ( 0.000 0.000 -11.767) 11.767 ======================= Grid point 298 (92/180) ======================= q-point: ( 0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 14.457 0.000 36.216) 38.995 2.958 ( -4.708 0.000 33.915) 34.241 4.501 ( 9.713 0.000 3.302) 10.259 4.717 ( -4.636 0.000 -14.765) 15.475 5.589 ( -12.569 0.000 37.017) 39.093 5.792 ( -20.841 0.000 -5.566) 21.572 6.451 ( 10.120 0.000 -4.203) 10.959 6.573 ( -2.740 0.000 -8.734) 9.154 6.774 ( 22.367 0.000 5.628) 23.065 6.990 ( -0.210 0.000 9.824) 9.826 7.404 ( 22.684 0.000 5.455) 23.330 8.096 ( -3.416 0.000 -28.959) 29.159 9.093 ( -2.226 0.000 2.000) 2.993 9.398 ( -8.312 0.000 15.110) 17.246 10.248 ( -16.762 0.000 5.809) 17.740 10.481 ( -5.134 0.000 9.026) 10.384 10.906 ( -1.399 0.000 -0.885) 1.655 10.979 ( -3.807 0.000 13.923) 14.434 11.379 ( -1.805 0.000 -1.144) 2.137 11.483 ( 11.111 0.000 -8.326) 13.884 12.116 ( -6.468 0.000 18.810) 19.890 12.207 ( 0.732 0.000 -2.524) 2.628 12.688 ( -1.567 0.000 2.698) 3.120 13.046 ( -3.705 0.000 -10.265) 10.914 13.463 ( 9.909 0.000 -1.249) 9.987 14.051 ( 2.599 0.000 -7.105) 7.565 14.557 ( 11.907 0.000 -23.114) 26.001 14.782 ( -6.919 0.000 -2.131) 7.239 15.258 ( 5.105 0.000 -8.497) 9.913 15.271 ( -6.724 0.000 -26.146) 26.997 16.113 ( -6.922 0.000 1.250) 7.034 16.896 ( -8.570 0.000 -22.650) 24.217 20.919 ( 4.142 0.000 38.831) 39.052 22.136 ( 0.197 0.000 25.968) 25.968 23.324 ( -11.278 0.000 -18.342) 21.532 23.941 ( 12.428 0.000 -17.568) 21.520 ======================= Grid point 299 (93/180) ======================= q-point: ( 0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 2.580 0.000 23.822) 23.961 3.224 ( 24.952 0.000 31.647) 40.300 4.619 ( -3.886 0.000 -12.297) 12.896 4.630 ( -0.113 0.000 -4.094) 4.096 5.434 ( 1.951 0.000 8.651) 8.869 5.458 ( -12.778 0.000 -21.038) 24.614 6.586 ( 3.100 0.000 1.865) 3.618 6.754 ( 20.106 0.000 -4.021) 20.504 6.951 ( -0.936 0.000 1.989) 2.198 7.170 ( 13.464 0.000 14.236) 19.595 7.910 ( 26.774 0.000 11.124) 28.993 8.015 ( -3.432 0.000 -21.729) 21.998 9.030 ( -3.715 0.000 5.076) 6.291 9.182 ( -12.354 0.000 5.870) 13.678 9.928 ( -14.449 0.000 10.379) 17.790 10.202 ( -20.717 0.000 8.540) 22.408 10.852 ( -4.410 0.000 5.334) 6.921 11.099 ( 12.558 0.000 19.218) 22.957 11.151 ( -16.691 0.000 -3.452) 17.044 11.642 ( 4.385 0.000 -12.328) 13.085 12.132 ( 2.849 0.000 -1.564) 3.250 12.275 ( 6.803 0.000 1.566) 6.981 12.693 ( 3.637 0.000 6.498) 7.447 12.984 ( -2.359 0.000 -12.410) 12.632 13.665 ( 8.964 0.000 0.543) 8.980 14.123 ( 3.946 0.000 -7.193) 8.205 14.601 ( -10.016 0.000 -2.301) 10.276 14.626 ( -3.370 0.000 -4.342) 5.496 15.094 ( -10.211 0.000 -24.074) 26.150 15.393 ( 5.040 0.000 -19.622) 20.259 15.919 ( -11.898 0.000 -0.120) 11.898 16.675 ( -12.850 0.000 -19.493) 23.347 21.030 ( 6.588 0.000 31.073) 31.764 22.123 ( -1.986 0.000 25.687) 25.764 23.175 ( -3.492 0.000 -22.436) 22.706 24.101 ( 3.160 0.000 -20.158) 20.405 ======================= Grid point 300 (94/180) ======================= q-point: ( 0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 12.481 0.000 8.134) 14.897 3.796 ( 31.495 0.000 27.868) 42.054 4.518 ( -8.349 0.000 -9.620) 12.738 4.599 ( 2.129 0.000 -16.169) 16.308 5.258 ( -7.592 0.000 -29.585) 30.543 5.674 ( 18.894 0.000 -9.673) 21.226 6.662 ( 3.866 0.000 3.443) 5.177 6.895 ( -6.469 0.000 1.070) 6.557 7.246 ( 28.668 0.000 -3.885) 28.930 7.310 ( 1.752 0.000 12.879) 12.997 8.035 ( 6.654 0.000 -10.770) 12.660 8.422 ( 21.993 0.000 8.151) 23.455 8.924 ( -13.746 0.000 0.084) 13.746 8.981 ( 0.884 0.000 12.038) 12.071 9.657 ( -13.277 0.000 7.249) 15.127 9.737 ( -24.176 0.000 8.187) 25.525 10.676 ( -15.035 0.000 12.912) 19.819 10.851 ( -11.319 0.000 -9.566) 14.819 11.340 ( 9.131 0.000 14.322) 16.985 11.694 ( 2.283 0.000 -12.344) 12.554 12.146 ( -0.012 0.000 -6.004) 6.004 12.470 ( 11.793 0.000 3.258) 12.235 12.807 ( 5.115 0.000 8.045) 9.534 12.953 ( -0.797 0.000 -15.306) 15.327 13.771 ( 0.921 0.000 4.594) 4.685 14.177 ( 0.847 0.000 -5.550) 5.614 14.427 ( -7.111 0.000 -3.533) 7.940 14.551 ( -1.197 0.000 0.209) 1.215 14.916 ( -5.360 0.000 -19.780) 20.493 15.366 ( -8.078 0.000 -13.502) 15.734 15.673 ( -11.924 0.000 -5.910) 13.308 16.399 ( -14.652 0.000 -16.558) 22.110 21.173 ( 7.553 0.000 23.392) 24.581 22.046 ( -5.761 0.000 23.987) 24.669 23.175 ( 3.138 0.000 -27.060) 27.242 24.075 ( -5.191 0.000 -22.044) 22.647 ======================= Grid point 301 (95/180) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 18.079 0.000 -5.813) 18.991 4.336 ( -10.104 0.000 -15.944) 18.876 4.434 ( 29.227 0.000 26.071) 39.165 4.697 ( 7.712 0.000 -22.233) 23.533 5.158 ( -0.951 0.000 -32.365) 32.379 6.094 ( 21.433 0.000 -12.402) 24.763 6.606 ( -22.400 0.000 2.341) 22.522 6.719 ( 1.269 0.000 1.118) 1.692 7.395 ( 8.982 0.000 12.525) 15.413 7.870 ( 32.510 0.000 -3.317) 32.678 8.240 ( 11.104 0.000 -4.327) 11.917 8.606 ( -17.362 0.000 2.743) 17.577 8.663 ( 3.432 0.000 -0.636) 3.491 9.158 ( 12.650 0.000 14.349) 19.129 9.288 ( -19.919 0.000 3.322) 20.194 9.396 ( -11.001 0.000 2.957) 11.391 10.313 ( -18.345 0.000 7.020) 19.642 10.636 ( -11.872 0.000 1.996) 12.038 11.459 ( 4.497 0.000 0.869) 4.580 11.736 ( 0.715 0.000 -8.105) 8.136 12.189 ( 5.046 0.000 -3.217) 5.985 12.699 ( 9.818 0.000 3.478) 10.416 12.809 ( -5.794 0.000 6.793) 8.929 12.940 ( -0.917 0.000 -18.717) 18.740 13.751 ( -0.287 0.000 10.144) 10.148 14.202 ( 3.986 0.000 -0.082) 3.987 14.261 ( -10.515 0.000 -6.476) 12.349 14.605 ( 4.843 0.000 -3.223) 5.817 14.969 ( 10.954 0.000 -13.194) 17.148 15.130 ( -12.893 0.000 -4.879) 13.786 15.436 ( -12.243 0.000 -11.565) 16.841 16.082 ( -17.288 0.000 -13.910) 22.190 21.331 ( 8.316 0.000 18.298) 20.099 21.897 ( -8.891 0.000 21.047) 22.848 23.287 ( 7.779 0.000 -29.597) 30.602 23.918 ( -9.927 0.000 -24.490) 26.426 ======================= Grid point 302 (96/180) ======================= q-point: ( 0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( 18.230 0.000 -14.521) 23.307 4.094 ( -14.393 0.000 -17.840) 22.922 4.760 ( 7.091 0.000 -10.031) 12.284 4.842 ( 0.236 0.000 -13.492) 13.494 5.424 ( 28.721 0.000 -8.091) 29.838 6.056 ( -31.171 0.000 3.186) 31.333 6.474 ( 15.396 0.000 -8.555) 17.614 6.684 ( -5.585 0.000 -3.133) 6.404 7.673 ( 18.257 0.000 11.351) 21.498 8.091 ( -21.939 0.000 8.451) 23.511 8.462 ( 23.143 0.000 1.462) 23.189 8.609 ( 14.701 0.000 -2.429) 14.900 8.691 ( -1.292 0.000 1.022) 1.647 8.930 ( -16.716 0.000 -1.144) 16.755 9.154 ( -0.836 0.000 -4.776) 4.848 9.329 ( -8.625 0.000 -5.011) 9.975 10.123 ( 4.208 0.000 14.278) 14.886 10.363 ( -14.897 0.000 10.820) 18.412 11.568 ( 6.513 0.000 -7.145) 9.668 11.693 ( -4.952 0.000 -8.430) 9.776 12.353 ( 11.048 0.000 0.844) 11.080 12.604 ( -12.963 0.000 4.329) 13.667 12.840 ( 4.563 0.000 -0.999) 4.672 12.906 ( -2.471 0.000 -12.232) 12.480 13.825 ( 7.707 0.000 5.980) 9.755 14.029 ( -11.747 0.000 -2.499) 12.010 14.367 ( 11.752 0.000 2.292) 11.973 14.603 ( -8.521 0.000 0.226) 8.524 15.002 ( 3.667 0.000 -8.026) 8.824 15.187 ( -12.070 0.000 -11.564) 16.716 15.294 ( 19.766 0.000 -10.863) 22.555 15.704 ( -20.284 0.000 -11.651) 23.392 21.508 ( 9.409 0.000 16.655) 19.129 21.704 ( -10.018 0.000 18.044) 20.639 23.474 ( 10.627 0.000 -29.469) 31.327 23.699 ( -11.496 0.000 -27.344) 29.663 ======================= Grid point 308 (97/180) ======================= q-point: ( 0.00 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 0.000 10.340 36.087) 37.539 3.088 ( 0.000 5.994 34.145) 34.667 4.522 ( 0.000 12.695 5.931) 14.012 4.722 ( 0.000 -3.864 -14.507) 15.013 5.845 ( 0.000 10.502 51.643) 52.700 6.133 ( 0.000 -8.260 33.651) 34.650 6.225 ( 0.000 -2.057 -7.660) 7.931 6.609 ( 0.000 18.671 -18.028) 25.954 6.791 ( 0.000 12.602 -24.613) 27.652 7.013 ( 0.000 4.862 4.219) 6.437 7.308 ( 0.000 15.007 7.529) 16.790 8.152 ( 0.000 1.975 -30.474) 30.538 9.035 ( 0.000 -6.616 6.712) 9.424 9.545 ( 0.000 4.413 20.370) 20.843 10.411 ( 0.000 -7.973 10.115) 12.879 10.476 ( 0.000 1.568 -7.405) 7.569 10.693 ( 0.000 -17.748 10.737) 20.743 11.240 ( 0.000 -5.564 6.694) 8.704 11.273 ( 0.000 6.629 -1.591) 6.818 11.327 ( 0.000 3.577 -11.948) 12.472 12.090 ( 0.000 -9.426 -2.292) 9.700 12.276 ( 0.000 -0.117 32.135) 32.135 12.787 ( 0.000 7.195 1.449) 7.340 13.092 ( 0.000 -0.588 -8.626) 8.646 13.364 ( 0.000 2.155 -0.998) 2.375 14.000 ( 0.000 -2.530 -8.252) 8.631 14.450 ( 0.000 8.745 -34.883) 35.963 14.811 ( 0.000 -5.696 1.262) 5.834 15.133 ( 0.000 -4.204 -9.397) 10.295 15.427 ( 0.000 5.940 -21.854) 22.647 16.152 ( 0.000 -3.114 1.121) 3.309 16.947 ( 0.000 -4.208 -22.828) 23.212 20.931 ( 0.000 5.154 42.074) 42.388 22.047 ( 0.000 -8.114 27.669) 28.834 23.560 ( 0.000 0.547 -20.219) 20.227 23.596 ( 0.000 -8.415 -10.057) 13.114 ======================= Grid point 309 (98/180) ======================= q-point: ( 0.09 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 10.371 8.441 34.109) 36.637 3.065 ( 0.398 9.189 32.289) 33.573 4.585 ( 2.552 5.191 -2.349) 6.243 4.682 ( -0.726 0.125 -7.353) 7.390 5.681 ( -15.351 7.414 30.222) 34.698 5.846 ( -15.685 5.361 3.769) 16.999 6.384 ( 10.885 -4.202 0.059) 11.668 6.597 ( -2.714 5.171 -0.319) 5.849 6.954 ( 17.553 14.618 -10.659) 25.207 7.082 ( 1.900 8.959 5.986) 10.941 7.539 ( 20.673 12.614 6.882) 25.176 8.112 ( -3.679 1.648 -27.980) 28.269 8.972 ( -6.211 -9.524 6.118) 12.912 9.482 ( -5.952 5.733 16.462) 18.420 10.263 ( -14.709 -1.402 -1.228) 14.826 10.397 ( -5.610 -5.381 10.376) 12.965 10.748 ( 5.646 -12.492 13.424) 19.187 11.050 ( -9.574 3.861 -0.657) 10.344 11.330 ( 0.607 -4.284 0.349) 4.341 11.528 ( 9.144 3.563 -8.108) 12.730 12.045 ( -0.630 -5.490 9.022) 10.580 12.227 ( -1.403 1.124 9.059) 9.235 12.755 ( -2.753 6.304 2.510) 7.322 13.075 ( -1.472 2.479 -10.617) 11.001 13.434 ( 6.522 -2.501 1.245) 7.095 14.030 ( 3.526 -1.752 -7.240) 8.241 14.481 ( -0.887 -4.903 -21.110) 21.690 14.801 ( -2.463 -3.364 1.327) 4.375 15.155 ( 0.423 0.615 -23.111) 23.123 15.431 ( 2.594 7.389 -17.120) 18.826 16.082 ( -6.932 -3.080 0.482) 7.601 16.854 ( -8.661 -4.300 -21.628) 23.691 20.973 ( 3.972 4.994 38.845) 39.366 22.044 ( -0.458 -8.699 27.108) 28.474 23.324 ( -9.834 0.005 -16.490) 19.200 23.859 ( 11.974 -7.022 -16.902) 21.872 ======================= Grid point 310 (99/180) ======================= q-point: ( 0.18 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 3.415 8.448 22.865) 24.613 3.333 ( 22.519 8.916 30.998) 39.337 4.499 ( -6.205 -5.359 -9.753) 12.741 4.782 ( 4.195 9.082 -3.844) 10.718 5.414 ( -6.622 -0.071 4.479) 7.995 5.578 ( -10.535 8.995 -17.875) 22.614 6.611 ( 4.294 3.411 5.961) 8.100 6.666 ( 15.088 -4.966 0.754) 15.902 7.094 ( 1.807 10.726 4.955) 11.953 7.303 ( 14.471 12.246 0.073) 18.957 8.002 ( 12.848 5.939 1.608) 14.245 8.034 ( 7.808 4.990 -10.552) 14.044 8.812 ( -8.699 -14.129 3.060) 16.872 9.330 ( -8.604 7.583 12.319) 16.831 9.985 ( -12.643 -0.361 -0.034) 12.648 10.121 ( -20.141 -3.074 11.133) 23.218 10.870 ( -2.285 0.790 3.544) 4.290 10.977 ( 4.429 -9.165 8.629) 13.344 11.159 ( -10.041 0.008 11.606) 15.347 11.658 ( 2.439 1.108 -12.782) 13.059 12.096 ( 2.937 -3.519 0.391) 4.600 12.317 ( 9.842 3.659 1.227) 10.572 12.724 ( 1.274 3.341 5.100) 6.229 13.048 ( -1.114 6.024 -11.942) 13.422 13.581 ( 6.943 -7.259 2.623) 10.382 14.140 ( 7.027 -1.271 -5.376) 8.938 14.378 ( -8.216 -9.649 -10.749) 16.618 14.676 ( -9.232 -6.569 2.717) 11.652 15.086 ( -6.248 4.931 -25.984) 27.175 15.519 ( 2.385 7.818 -15.670) 17.673 15.889 ( -11.659 -2.850 -1.757) 12.131 16.643 ( -11.350 -2.989 -19.601) 22.847 21.075 ( 5.786 4.034 31.584) 32.362 22.018 ( -2.417 -9.663 25.578) 27.449 23.195 ( -3.224 1.763 -20.299) 20.629 24.017 ( 3.324 -7.687 -19.541) 21.261 ======================= Grid point 311 (100/180) ======================= q-point: ( 0.27 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 11.110 7.584 8.406) 15.862 3.850 ( 27.843 3.904 27.935) 39.634 4.414 ( -1.945 -4.015 -14.252) 14.934 4.767 ( -3.226 10.884 -9.243) 14.639 5.333 ( -6.596 6.183 -26.868) 28.348 5.590 ( 14.095 -7.567 -10.617) 19.200 6.706 ( 4.737 4.482 5.332) 8.424 6.853 ( -0.965 -3.197 -1.895) 3.840 7.241 ( 12.160 4.146 10.245) 16.432 7.524 ( 11.118 14.460 -4.384) 18.760 8.001 ( 4.320 -3.024 -5.949) 7.950 8.478 ( 17.279 4.386 5.350) 18.612 8.671 ( -3.636 -11.049 0.586) 11.646 9.173 ( -5.411 7.354 13.545) 16.335 9.641 ( -24.555 -7.703 11.010) 27.992 9.777 ( -10.149 8.643 -2.361) 13.538 10.704 ( -16.795 3.243 11.756) 20.756 10.803 ( -8.770 -3.926 -8.009) 12.508 11.270 ( 8.744 -6.550 15.977) 19.355 11.658 ( -0.546 -3.198 -10.208) 10.711 12.134 ( 1.318 -1.124 -3.197) 3.636 12.534 ( 10.903 5.682 0.897) 12.327 12.807 ( 4.897 -0.010 6.041) 7.776 13.029 ( -1.189 6.465 -14.295) 15.734 13.675 ( 2.319 -7.390 7.484) 10.770 14.205 ( -7.290 -10.294 -9.100) 15.553 14.279 ( 4.943 1.212 -5.803) 7.718 14.512 ( -4.731 -8.005 2.748) 9.696 14.954 ( -5.786 5.719 -19.292) 20.937 15.434 ( -10.861 4.144 -8.229) 14.243 15.663 ( -9.832 -0.330 -8.369) 12.915 16.422 ( -10.801 2.170 -17.962) 21.071 21.194 ( 6.018 1.753 24.259) 25.056 21.938 ( -5.607 -9.969 23.534) 26.167 23.187 ( 2.260 1.101 -24.849) 24.976 23.997 ( -4.807 -7.336 -21.670) 23.378 ======================= Grid point 312 (101/180) ======================= q-point: ( 0.36 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 16.797 5.068 -5.118) 18.276 4.243 ( 1.106 -5.574 -2.557) 6.231 4.537 ( 20.752 6.068 10.241) 23.924 4.746 ( 2.179 4.756 -17.533) 18.297 5.229 ( -1.745 6.215 -33.397) 34.015 5.943 ( 17.229 -13.800 -7.434) 23.293 6.649 ( -16.237 3.691 -1.316) 16.703 6.774 ( 1.057 4.782 0.667) 4.943 7.428 ( 9.610 3.276 11.014) 14.980 7.902 ( 21.658 0.400 -2.266) 21.780 8.135 ( 5.014 -8.781 0.185) 10.113 8.555 ( 1.969 0.447 -2.657) 3.337 8.708 ( -1.383 2.536 -0.386) 2.914 9.140 ( -13.174 -5.838 8.158) 16.559 9.223 ( -2.142 2.188 9.710) 10.182 9.626 ( -4.091 15.292 -0.600) 15.841 10.316 ( -19.202 0.727 5.782) 20.066 10.626 ( -10.441 -0.431 3.305) 10.960 11.381 ( 3.752 -6.800 2.729) 8.232 11.656 ( -0.853 -6.671 -4.930) 8.338 12.196 ( 5.898 0.487 -1.570) 6.123 12.723 ( 7.324 1.953 0.643) 7.607 12.838 ( -3.189 1.923 4.046) 5.499 12.968 ( -4.982 1.187 -13.361) 14.309 13.720 ( 3.882 -1.637 11.586) 12.328 14.105 ( -2.464 -7.979 -9.519) 12.663 14.336 ( 1.156 2.719 -4.772) 5.612 14.483 ( 0.779 -8.338 2.748) 8.814 14.906 ( 0.495 -5.388 -15.076) 16.017 15.153 ( -15.529 1.613 -3.210) 15.939 15.522 ( -2.735 8.800 -11.777) 14.954 16.191 ( -12.763 9.097 -15.921) 22.341 21.317 ( 6.425 -1.531 19.273) 20.373 21.797 ( -8.228 -9.352 21.044) 24.454 23.277 ( 6.534 -0.951 -27.890) 28.661 23.849 ( -9.361 -6.533 -24.116) 26.681 ======================= Grid point 313 (102/180) ======================= q-point: ( 0.45 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( 17.281 3.091 -13.831) 22.349 4.098 ( -12.289 0.489 -16.152) 20.301 4.793 ( 5.099 2.962 -10.834) 12.335 4.853 ( 1.384 0.823 -10.683) 10.803 5.439 ( 24.352 0.887 -10.631) 26.586 5.959 ( -21.030 -9.417 2.080) 23.136 6.526 ( 9.520 4.306 -8.549) 13.500 6.723 ( -6.733 3.334 -4.174) 8.595 7.685 ( 15.456 1.483 11.646) 19.409 7.998 ( -13.672 -8.405 8.699) 18.255 8.260 ( 12.591 -12.155 1.988) 17.613 8.529 ( -13.652 -10.583 1.464) 17.335 8.853 ( 19.711 14.296 -3.989) 24.674 8.969 ( 1.164 3.134 -1.384) 3.618 9.200 ( -0.908 2.577 -4.945) 5.650 9.479 ( -17.577 13.766 -5.582) 23.013 10.138 ( 5.970 1.694 14.045) 15.355 10.379 ( -13.797 1.798 10.574) 17.475 11.472 ( 5.716 -7.687 -4.109) 10.423 11.592 ( -5.334 -7.963 -4.913) 10.770 12.379 ( 12.065 1.292 -0.600) 12.149 12.648 ( -13.491 2.172 -1.039) 13.704 12.829 ( 3.471 -1.154 -0.424) 3.683 12.889 ( -2.929 -1.836 -3.240) 4.738 13.847 ( 8.303 2.296 4.895) 9.908 14.021 ( -7.683 -1.024 -3.821) 8.642 14.407 ( 8.259 3.047 0.667) 8.829 14.533 ( 0.434 -8.956 -2.438) 9.292 14.863 ( -5.589 -13.710 -6.803) 16.294 14.886 ( -7.535 -7.900 -8.171) 13.637 15.619 ( 11.778 18.275 -12.655) 25.156 15.907 ( -15.279 15.308 -13.889) 25.704 21.457 ( 7.677 -4.960 17.516) 19.757 21.623 ( -8.796 -7.701 18.571) 21.945 23.440 ( 9.477 -3.263 -28.375) 30.094 23.644 ( -10.631 -5.203 -26.720) 29.224 ======================= Grid point 319 (103/180) ======================= q-point: ( 0.00 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 0.000 9.609 32.554) 33.942 3.241 ( 0.000 8.110 28.487) 29.619 4.650 ( 0.000 -2.368 -6.505) 6.923 4.802 ( 0.000 12.528 -0.894) 12.559 5.968 ( 0.000 -3.890 28.910) 29.170 6.215 ( 0.000 0.423 -1.078) 1.158 6.218 ( 0.000 24.349 48.877) 54.606 7.062 ( 0.000 24.794 -18.046) 30.666 7.116 ( 0.000 18.569 -26.312) 32.204 7.195 ( 0.000 12.456 1.169) 12.511 7.666 ( 0.000 19.889 9.403) 21.999 8.209 ( 0.000 3.661 -28.185) 28.421 8.886 ( 0.000 -7.878 7.501) 10.878 9.622 ( 0.000 3.077 23.396) 23.598 10.195 ( 0.000 -14.161 13.859) 19.814 10.253 ( 0.000 -24.291 16.042) 29.111 10.537 ( 0.000 3.327 -15.435) 15.790 11.031 ( 0.000 -12.758 -0.181) 12.759 11.380 ( 0.000 0.966 -9.509) 9.558 11.423 ( 0.000 6.046 -1.987) 6.364 11.917 ( 0.000 -5.642 4.581) 7.267 12.265 ( 0.000 -1.242 29.115) 29.141 12.958 ( 0.000 9.231 0.700) 9.257 13.092 ( 0.000 0.953 -6.059) 6.133 13.406 ( 0.000 1.404 4.266) 4.491 13.961 ( 0.000 -0.714 -12.177) 12.197 14.598 ( 0.000 -13.924 3.427) 14.340 14.618 ( 0.000 6.280 -34.227) 34.798 15.115 ( 0.000 2.027 -11.879) 12.051 15.564 ( 0.000 7.775 -21.502) 22.865 16.057 ( 0.000 -6.386 -0.183) 6.388 16.807 ( 0.000 -9.832 -19.552) 21.885 21.064 ( 0.000 7.474 41.348) 42.018 21.833 ( 0.000 -11.900 31.679) 33.841 23.434 ( 0.000 -6.190 -9.194) 11.084 23.567 ( 0.000 -0.069 -18.480) 18.480 ======================= Grid point 320 (104/180) ======================= q-point: ( 0.09 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 8.449 9.223 30.642) 33.097 3.255 ( 3.121 8.513 27.591) 29.043 4.562 ( -6.930 -2.390 -5.517) 9.175 4.861 ( 4.769 11.290 -0.783) 12.281 5.784 ( -16.369 2.850 19.446) 25.577 6.035 ( -10.279 11.452 5.880) 16.474 6.400 ( 10.638 7.969 19.816) 23.861 6.798 ( -11.259 14.437 -4.366) 18.821 7.307 ( 15.590 19.565 -17.023) 30.259 7.324 ( 2.182 13.917 -0.259) 14.089 7.885 ( 19.158 21.107 7.397) 29.450 8.163 ( -3.891 3.450 -24.199) 24.751 8.756 ( -11.567 -11.637 5.376) 17.266 9.578 ( -4.701 2.894 17.989) 18.817 10.052 ( -14.098 -16.123 6.771) 22.463 10.327 ( 6.138 -10.299 12.742) 17.496 10.496 ( -0.034 -6.704 2.840) 7.281 11.104 ( -14.128 1.233 -6.249) 15.497 11.242 ( 12.391 -4.024 -0.549) 13.040 11.575 ( 3.587 0.254 -6.474) 7.406 11.947 ( 2.616 -3.251 6.358) 7.605 12.246 ( 0.886 0.976 18.432) 18.479 12.922 ( -4.495 9.561 2.115) 10.775 13.115 ( 4.041 0.730 -8.503) 9.443 13.395 ( -0.759 -0.353 4.938) 5.008 14.003 ( 3.324 -0.461 -8.697) 9.322 14.365 ( -12.235 -8.083 -15.390) 21.258 14.663 ( -2.283 -5.962 -6.164) 8.874 15.243 ( 5.337 4.644 -19.300) 20.556 15.562 ( 2.207 6.002 -17.907) 19.015 15.990 ( -6.515 -5.956 -1.362) 8.932 16.724 ( -7.416 -8.358 -19.754) 22.696 21.095 ( 2.776 6.229 38.916) 39.509 21.826 ( -0.895 -11.464 29.781) 31.924 23.324 ( -5.873 0.093 -12.951) 14.220 23.712 ( 8.582 -6.628 -17.170) 20.308 ======================= Grid point 321 (105/180) ======================= q-point: ( 0.18 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( 4.494 11.686 20.419) 23.952 3.485 ( 18.222 4.446 28.586) 34.190 4.425 ( -5.594 -2.015 -7.031) 9.208 4.981 ( 6.849 9.487 -1.391) 11.783 5.438 ( -15.456 3.523 7.952) 17.736 5.784 ( -13.699 10.722 -20.103) 26.585 6.607 ( 8.659 -0.520 5.078) 10.051 6.760 ( 6.673 11.221 9.691) 16.259 7.320 ( -0.706 10.546 2.268) 10.810 7.625 ( 14.479 18.651 -10.683) 25.916 8.050 ( -7.780 2.629 -10.166) 13.069 8.300 ( 17.890 14.899 5.816) 23.997 8.538 ( -4.793 -9.991 0.328) 11.086 9.428 ( -9.994 -0.310 11.888) 15.534 9.772 ( -13.360 -12.315 7.085) 19.503 10.188 ( -13.812 3.592 -0.190) 14.273 10.713 ( 13.698 -14.307 15.492) 25.146 10.877 ( -8.291 -2.640 -8.051) 11.854 11.238 ( -9.769 8.771 17.003) 21.482 11.661 ( 0.465 -1.156 -12.437) 12.499 11.982 ( 4.453 -7.853 1.184) 9.105 12.403 ( 12.787 4.585 8.226) 15.881 12.828 ( -3.338 6.366 0.430) 7.201 13.205 ( 1.952 8.802 -11.074) 14.280 13.413 ( 3.999 -8.579 7.848) 12.295 14.032 ( -2.166 -5.945 -6.700) 9.215 14.181 ( -5.340 -13.622 -7.020) 16.229 14.572 ( -5.423 -0.085 -7.546) 9.293 15.212 ( -5.693 4.724 -15.251) 16.950 15.630 ( -0.453 2.520 -12.074) 12.343 15.821 ( -8.601 -2.747 -6.133) 10.915 16.567 ( -6.779 -4.152 -20.734) 22.206 21.157 ( 3.019 2.719 33.297) 33.544 21.790 ( -2.858 -10.767 26.075) 28.354 23.238 ( -2.693 2.417 -16.396) 16.791 23.830 ( 2.526 -9.792 -19.266) 21.759 ======================= Grid point 322 (106/180) ======================= q-point: ( 0.27 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 8.973 11.449 8.623) 16.910 3.882 ( 19.307 -1.424 23.718) 30.616 4.390 ( 3.487 0.538 -11.476) 12.006 5.015 ( -6.281 13.787 -4.628) 15.842 5.332 ( 7.573 -8.943 4.428) 12.527 5.542 ( -9.545 6.141 -34.316) 36.144 6.750 ( 5.108 -2.226 -1.951) 5.904 6.897 ( 2.918 9.590 3.282) 10.548 7.357 ( 5.146 5.304 6.876) 10.094 7.784 ( -2.306 6.161 -5.149) 8.354 7.934 ( 2.780 -1.370 -1.739) 3.554 8.429 ( 5.095 -2.139 -5.828) 8.032 8.754 ( 13.817 15.039 4.997) 21.025 9.211 ( -10.477 -6.734 9.005) 15.369 9.493 ( -14.612 -2.335 12.410) 19.313 9.939 ( -8.395 6.582 -4.297) 11.501 10.678 ( -12.180 -5.575 -9.114) 16.202 10.845 ( -5.893 4.759 4.994) 9.073 11.126 ( 3.740 -3.801 25.679) 26.227 11.584 ( -4.617 -3.742 -5.707) 8.239 12.103 ( 5.308 -2.119 -1.817) 5.997 12.647 ( 9.706 3.672 3.801) 11.052 12.811 ( 1.317 1.072 0.363) 1.737 13.138 ( -8.241 1.739 -10.756) 13.661 13.549 ( 8.493 -3.162 10.253) 13.684 13.980 ( -0.968 -9.629 -9.136) 13.308 14.082 ( -4.962 -17.281 -4.433) 18.517 14.508 ( -1.295 3.619 -7.956) 8.836 15.070 ( -8.515 4.872 -6.066) 11.534 15.462 ( -13.058 -1.199 -6.956) 14.844 15.721 ( -2.122 6.888 -13.905) 15.662 16.470 ( -3.709 1.858 -19.976) 20.402 21.208 ( 2.050 -2.057 27.308) 27.462 21.705 ( -5.680 -10.606 23.041) 25.994 23.215 ( 0.334 1.525 -20.577) 20.636 23.808 ( -4.389 -10.498 -21.458) 24.289 ======================= Grid point 323 (107/180) ======================= q-point: ( 0.36 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( 14.144 9.286 -3.761) 17.333 4.144 ( 5.347 -4.178 1.824) 7.026 4.608 ( 16.694 0.049 -0.787) 16.713 4.888 ( -4.240 8.724 -5.676) 11.239 5.363 ( -4.075 6.113 -34.321) 35.098 5.607 ( 12.485 -17.222 -0.391) 21.275 6.707 ( -9.342 0.935 -9.809) 13.578 6.893 ( -1.799 6.464 -1.544) 6.885 7.503 ( 9.763 2.697 7.185) 12.418 7.774 ( 1.925 -10.767 7.487) 13.255 7.998 ( 1.681 -4.980 -0.511) 5.280 8.608 ( 4.274 -1.045 -5.424) 6.984 8.812 ( -1.217 11.085 0.105) 11.152 9.068 ( -2.807 1.153 7.924) 8.485 9.296 ( -3.873 4.779 1.831) 6.418 9.902 ( 3.976 11.429 1.080) 12.149 10.341 ( -19.428 0.539 -3.960) 19.835 10.681 ( -9.305 7.685 9.241) 15.200 11.225 ( 4.387 -7.982 9.559) 13.204 11.521 ( -2.444 -5.816 -0.201) 6.312 12.203 ( 5.854 0.119 2.207) 6.257 12.749 ( 0.648 0.040 -5.592) 5.630 12.850 ( 1.019 -1.547 2.646) 3.230 12.911 ( -12.422 -7.354 0.439) 14.443 13.739 ( 9.474 3.367 8.410) 13.108 13.933 ( -0.579 -7.774 -10.643) 13.192 14.130 ( 7.968 -15.643 -7.586) 19.124 14.445 ( -5.747 -4.327 -5.267) 8.916 14.872 ( -10.772 4.977 -2.134) 12.057 15.186 ( -14.246 1.830 -7.554) 16.229 15.763 ( 7.089 14.024 -15.302) 21.934 16.379 ( -6.146 8.236 -17.347) 20.162 21.248 ( 2.264 -6.528 22.720) 23.747 21.570 ( -7.512 -10.951 21.023) 24.866 23.253 ( 3.537 -1.287 -24.167) 24.459 23.677 ( -8.094 -9.762 -23.585) 26.778 ======================= Grid point 324 (108/180) ======================= q-point: ( 0.45 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( 14.578 6.484 -11.973) 19.948 4.120 ( -7.122 1.802 -11.964) 14.039 4.842 ( 3.568 -0.912 -11.395) 11.976 4.872 ( 1.347 2.263 -2.116) 3.378 5.434 ( 12.937 -1.473 -18.092) 22.290 5.700 ( -6.942 -14.789 0.118) 16.338 6.601 ( 3.438 1.881 -12.681) 13.273 6.777 ( -9.724 0.725 -8.422) 12.884 7.737 ( 10.651 2.935 11.159) 15.703 7.807 ( 1.164 -8.413 9.587) 12.808 8.032 ( 4.580 -10.426 4.607) 12.285 8.311 ( -20.251 -10.034 4.366) 23.019 9.034 ( 7.562 4.899 -3.045) 9.510 9.135 ( 1.738 9.297 -5.116) 10.753 9.300 ( 15.162 10.044 -5.458) 18.988 9.770 ( -22.808 12.772 -11.206) 28.441 10.211 ( 10.504 6.230 14.854) 19.230 10.463 ( -12.456 7.521 12.385) 19.107 11.323 ( 5.832 -6.415 1.032) 8.731 11.444 ( -5.502 -5.889 -0.155) 8.060 12.363 ( 10.185 -3.413 4.982) 11.841 12.599 ( -12.772 -8.122 0.782) 15.156 12.803 ( 0.696 -1.241 -0.642) 1.561 12.837 ( -2.080 -2.323 1.463) 3.444 13.886 ( 6.758 -1.681 -2.222) 7.310 13.988 ( 0.155 -0.666 -4.672) 4.722 14.267 ( 4.499 -14.602 -2.929) 15.558 14.356 ( -1.892 -9.702 -4.935) 11.049 14.719 ( -0.350 4.739 -4.523) 6.560 14.897 ( -14.022 4.490 -7.122) 16.356 15.974 ( 12.426 16.500 -14.900) 25.469 16.211 ( -10.543 13.696 -15.416) 23.160 21.311 ( 4.288 -9.591 20.271) 22.832 21.422 ( -6.772 -10.934 19.914) 23.706 23.355 ( 6.530 -4.760 -25.821) 27.056 23.507 ( -8.426 -7.798 -25.359) 27.837 ======================= Grid point 330 (109/180) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 0.000 6.404 28.003) 28.725 3.369 ( 0.000 3.567 21.343) 21.639 4.658 ( 0.000 3.584 3.478) 4.994 4.961 ( 0.000 2.735 0.104) 2.737 5.962 ( 0.000 3.425 22.231) 22.493 6.219 ( 0.000 -0.519 3.572) 3.609 6.835 ( 0.000 34.290 38.770) 51.758 7.469 ( 0.000 16.044 -20.159) 25.764 7.488 ( 0.000 16.000 -2.893) 16.259 7.567 ( 0.000 22.494 -17.762) 28.661 8.076 ( 0.000 18.910 13.171) 23.045 8.291 ( 0.000 3.773 -22.387) 22.702 8.728 ( 0.000 -6.627 -3.057) 7.298 9.659 ( 0.000 -0.147 21.697) 21.697 9.687 ( 0.000 -28.300 16.060) 32.539 9.902 ( 0.000 -16.726 17.906) 24.502 10.561 ( 0.000 -1.041 -17.270) 17.301 10.774 ( 0.000 -11.507 -2.831) 11.850 11.377 ( 0.000 -0.092 -7.986) 7.986 11.496 ( 0.000 0.970 -3.413) 3.548 11.901 ( 0.000 3.435 12.135) 12.611 12.220 ( 0.000 -3.226 24.896) 25.104 13.098 ( 0.000 3.720 -1.532) 4.023 13.197 ( 0.000 10.590 1.577) 10.706 13.397 ( 0.000 -2.625 11.193) 11.497 13.944 ( 0.000 -3.954 -15.256) 15.760 14.350 ( 0.000 -6.775 -1.425) 6.923 14.669 ( 0.000 -1.469 -31.709) 31.743 15.205 ( 0.000 7.096 -11.267) 13.316 15.743 ( 0.000 9.960 -20.259) 22.574 15.893 ( 0.000 -9.880 -2.171) 10.116 16.555 ( 0.000 -14.620 -16.809) 22.277 21.212 ( 0.000 6.853 40.148) 40.729 21.609 ( 0.000 -9.652 34.780) 36.095 23.371 ( 0.000 -0.105 -10.788) 10.789 23.548 ( 0.000 -1.918 -16.386) 16.498 ======================= Grid point 331 (110/180) ======================= q-point: ( 0.09 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 8.288 5.159 26.801) 28.524 3.392 ( 2.524 4.506 20.002) 20.658 4.551 ( -8.440 1.340 2.840) 9.005 5.024 ( 4.505 4.073 0.917) 6.143 5.867 ( -10.126 5.992 16.125) 19.961 6.178 ( -4.293 2.767 -0.311) 5.117 6.745 ( -5.403 23.660 24.286) 34.334 7.138 ( -17.630 17.512 -1.828) 24.917 7.595 ( -3.368 11.698 -8.976) 15.125 7.707 ( 17.124 19.212 -11.151) 28.048 8.247 ( -2.058 3.624 -16.022) 16.555 8.363 ( 21.057 24.585 8.372) 33.435 8.512 ( -18.488 -10.393 -5.486) 21.907 9.470 ( -14.695 -17.331 12.223) 25.802 9.758 ( 1.664 -11.865 11.815) 16.826 10.024 ( 12.535 -12.359 20.627) 27.118 10.443 ( -6.164 -1.612 -2.108) 6.711 11.105 ( -7.581 -1.948 -12.669) 14.892 11.133 ( 15.407 -6.076 -4.457) 17.151 11.572 ( 0.438 0.335 -3.185) 3.233 11.911 ( -2.800 -0.953 9.340) 9.797 12.279 ( 7.892 2.377 22.910) 24.347 13.052 ( -6.143 -0.123 0.737) 6.188 13.172 ( 2.502 8.780 2.755) 9.536 13.427 ( 0.065 2.777 3.220) 4.253 13.952 ( 0.305 -8.578 -8.717) 12.234 14.217 ( -12.453 -1.146 -9.965) 15.991 14.625 ( -1.828 1.085 -19.684) 19.799 15.278 ( 2.528 -1.078 -10.788) 11.133 15.671 ( -4.165 2.747 -14.931) 15.743 15.860 ( -2.804 -4.850 -5.884) 8.124 16.535 ( -2.214 -9.606 -19.835) 22.149 21.186 ( -2.354 2.019 38.727) 38.851 21.642 ( 2.460 -5.606 32.280) 32.856 23.338 ( -2.501 1.479 -11.447) 11.810 23.601 ( 3.807 -4.548 -17.643) 18.613 ======================= Grid point 332 (111/180) ======================= q-point: ( 0.18 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 7.255 8.611 16.459) 19.942 3.516 ( 12.667 -0.062 22.768) 26.055 4.393 ( -5.976 -1.647 -0.998) 6.279 5.109 ( 4.048 2.930 3.987) 6.393 5.589 ( -15.796 10.422 5.001) 19.573 5.993 ( -14.988 9.288 -13.185) 22.017 6.651 ( -1.091 5.147 5.038) 7.284 7.027 ( 4.666 13.677 11.552) 18.501 7.481 ( -6.445 5.169 -6.903) 10.766 7.968 ( 0.258 6.401 -8.004) 10.252 8.081 ( -16.069 1.934 -10.165) 19.112 8.303 ( 8.187 2.643 -5.264) 10.085 8.795 ( 20.243 22.481 7.074) 31.068 9.185 ( -12.365 -18.521 6.944) 23.327 9.704 ( -6.327 1.941 9.028) 11.194 10.194 ( -4.298 -5.569 6.315) 9.453 10.424 ( 10.225 -10.571 13.132) 19.717 10.820 ( -11.398 -2.539 -8.288) 14.319 11.444 ( -1.992 9.133 7.296) 11.858 11.611 ( 4.879 -3.716 -11.350) 12.901 11.807 ( 1.205 -7.675 4.736) 9.099 12.495 ( 10.871 4.278 18.410) 21.804 12.933 ( -4.779 2.803 -2.607) 6.123 13.268 ( 3.235 -4.054 11.932) 13.010 13.375 ( -2.065 6.661 -11.030) 13.050 13.836 ( -12.766 -15.877 -5.998) 21.238 14.032 ( -3.353 4.260 -6.153) 8.201 14.592 ( -2.593 -0.459 -13.454) 13.709 15.231 ( -4.413 -2.383 -3.263) 5.983 15.601 ( -5.705 -4.214 -9.444) 11.811 15.846 ( 2.385 4.865 -13.161) 14.233 16.480 ( -2.361 -4.508 -23.299) 23.849 21.127 ( -3.372 -5.549 35.075) 35.671 21.668 ( -0.649 -0.921 27.653) 27.676 23.287 ( -2.435 2.326 -13.548) 13.960 23.651 ( 0.358 -7.559 -20.182) 21.554 ======================= Grid point 333 (112/180) ======================= q-point: ( 0.27 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 8.564 10.982 7.055) 15.612 3.818 ( 15.343 -3.897 18.392) 24.266 4.358 ( 3.283 -4.678 -7.093) 9.109 5.175 ( -0.174 -5.123 12.616) 13.618 5.312 ( -7.975 14.700 -5.049) 17.469 5.681 ( -13.747 6.827 -26.980) 31.041 6.703 ( 3.293 -1.936 -4.490) 5.895 7.129 ( 0.483 12.156 -0.488) 12.176 7.405 ( 0.481 -0.451 -0.018) 0.659 7.639 ( -13.941 -13.633 0.366) 19.503 7.999 ( -4.188 2.330 -5.468) 7.271 8.540 ( 9.645 8.145 -6.470) 14.185 8.990 ( -3.037 -8.210 8.844) 12.444 9.129 ( 8.829 20.481 3.349) 22.553 9.540 ( -8.436 3.841 5.079) 10.569 10.063 ( -3.551 5.995 5.893) 9.126 10.556 ( -6.348 -6.987 -9.785) 13.596 10.731 ( 7.048 -11.048 6.527) 14.640 11.286 ( -10.341 14.241 20.773) 27.226 11.518 ( -5.871 -2.493 -0.675) 6.414 12.035 ( 11.646 -4.680 -3.903) 13.144 12.648 ( 4.251 -2.964 13.797) 14.738 12.864 ( -2.545 3.706 -6.257) 7.705 13.062 ( -18.092 -6.896 1.552) 19.424 13.544 ( 12.683 -3.815 -1.025) 13.284 13.685 ( 0.185 -11.905 -3.656) 12.455 13.947 ( -5.054 2.051 -6.970) 8.851 14.488 ( -8.343 -5.948 -8.737) 13.465 15.170 ( -2.656 5.349 1.951) 6.283 15.436 ( -9.928 -0.720 -11.949) 15.552 15.911 ( 4.226 10.949 -16.837) 20.523 16.471 ( 1.264 -2.187 -21.439) 21.588 21.061 ( -2.855 -10.961 30.980) 32.985 21.599 ( -6.248 -0.368 23.899) 24.705 23.245 ( -1.638 1.382 -17.036) 17.171 23.606 ( -4.593 -8.819 -22.262) 24.382 ======================= Grid point 334 (113/180) ======================= q-point: ( 0.36 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.799 ( 12.269 10.777 -2.972) 16.598 4.073 ( 9.248 -2.933 5.469) 11.137 4.518 ( 11.389 -8.792 -5.572) 15.429 5.029 ( -8.384 2.258 6.384) 10.777 5.367 ( 6.773 -2.483 -0.588) 7.238 5.470 ( -7.143 4.262 -32.655) 33.698 6.676 ( -6.469 -3.587 -16.821) 18.376 6.974 ( -12.580 -0.579 -14.158) 18.948 7.469 ( 6.320 -5.119 -0.385) 8.142 7.616 ( 7.840 -3.283 15.429) 17.615 7.926 ( -2.365 -2.189 6.150) 6.943 8.476 ( -14.216 -9.059 3.197) 17.157 9.105 ( 6.865 14.648 -4.967) 16.922 9.209 ( 7.558 11.317 3.230) 13.987 9.408 ( -5.751 5.696 -3.556) 8.841 10.130 ( 8.874 12.221 10.035) 18.133 10.326 ( -13.892 -1.160 -13.340) 19.295 10.852 ( 0.140 1.472 1.029) 1.802 11.121 ( -3.015 2.962 28.195) 28.510 11.435 ( -3.145 -2.725 2.022) 4.627 12.188 ( 3.882 -2.055 6.114) 7.528 12.635 ( -15.335 -15.381 11.135) 24.408 12.727 ( 0.427 -3.427 -6.753) 7.585 12.855 ( -1.363 1.882 -1.149) 2.592 13.673 ( 1.189 -14.560 -6.325) 15.919 13.840 ( 9.461 -0.324 -0.763) 9.497 13.959 ( 8.924 2.029 -7.579) 11.882 14.273 ( -11.518 -10.441 -6.427) 16.822 15.048 ( -9.889 9.770 -0.606) 13.915 15.228 ( -10.504 2.117 -12.364) 16.361 16.054 ( 10.050 14.113 -17.312) 24.492 16.491 ( -0.265 2.444 -17.564) 17.735 21.030 ( 0.217 -13.071 27.209) 30.186 21.431 ( -9.948 -3.231 21.903) 24.273 23.230 ( 0.300 -0.960 -20.712) 20.737 23.486 ( -6.817 -8.437 -23.658) 26.026 ======================= Grid point 335 (114/180) ======================= q-point: ( 0.45 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.046 ( 10.780 8.417 -9.236) 16.503 4.167 ( -0.457 2.541 -6.269) 6.780 4.733 ( 8.833 -9.490 -2.183) 13.147 4.884 ( -6.802 -2.796 0.745) 7.392 5.413 ( 1.957 0.395 -22.726) 22.814 5.461 ( 0.471 -6.163 -6.146) 8.716 6.570 ( -0.061 -4.746 -21.776) 22.287 6.712 ( -12.260 -7.269 -18.254) 23.159 7.664 ( 11.680 -4.012 5.809) 13.648 7.815 ( 9.154 1.876 14.907) 17.593 7.867 ( -2.755 -3.981 9.508) 10.669 8.131 ( -17.796 -8.130 7.953) 21.120 9.146 ( 3.196 5.740 -2.217) 6.934 9.256 ( -6.907 4.193 -4.983) 9.494 9.569 ( 20.153 14.006 -9.389) 26.277 9.967 ( -18.728 7.571 -17.415) 26.671 10.404 ( 14.222 12.333 17.668) 25.817 10.688 ( -13.134 13.328 14.313) 23.558 11.204 ( 7.827 -6.038 9.500) 13.710 11.352 ( -5.932 -3.707 3.304) 7.736 12.239 ( 2.889 -8.152 14.103) 16.544 12.357 ( -9.834 -13.946 13.215) 21.583 12.782 ( 2.912 -0.632 -6.334) 7.000 12.829 ( -1.725 1.771 -4.461) 5.101 13.729 ( 6.467 -10.902 -6.646) 14.313 13.924 ( -10.795 -10.681 -5.726) 16.230 14.067 ( 11.063 -1.701 -6.761) 13.076 14.209 ( 0.329 -3.357 -4.342) 5.498 14.886 ( -1.784 8.940 -7.630) 11.888 15.011 ( -10.788 5.914 -7.439) 14.377 16.270 ( 10.355 12.527 -16.033) 22.830 16.435 ( -5.632 8.033 -15.804) 18.601 21.083 ( 5.126 -11.628 23.974) 27.134 21.231 ( -9.311 -7.677 21.963) 25.060 23.263 ( 3.148 -3.965 -23.286) 23.830 23.355 ( -5.858 -6.695 -24.185) 25.770 ======================= Grid point 341 (115/180) ======================= q-point: ( 0.00 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 0.000 5.360 22.114) 22.754 3.373 ( 0.000 -2.719 18.569) 18.767 4.782 ( 0.000 7.729 8.578) 11.547 4.925 ( 0.000 -5.428 6.061) 8.136 6.071 ( 0.000 6.258 14.681) 15.959 6.178 ( 0.000 -3.768 8.435) 9.238 7.465 ( 0.000 23.094 16.560) 28.418 7.668 ( 0.000 1.454 -9.387) 9.499 7.842 ( 0.000 19.923 -4.361) 20.394 7.947 ( 0.000 14.924 -14.873) 21.070 8.239 ( 0.000 -5.555 9.612) 11.101 8.266 ( 0.000 -9.750 -1.293) 9.835 8.788 ( 0.000 15.340 -5.965) 16.459 9.173 ( 0.000 -21.338 4.720) 21.854 9.596 ( 0.000 -5.007 14.184) 15.042 9.603 ( 0.000 -9.238 17.735) 19.997 10.540 ( 0.000 0.295 -9.660) 9.664 10.598 ( 0.000 -5.678 -4.570) 7.289 11.404 ( 0.000 2.737 -6.405) 6.965 11.470 ( 0.000 -3.025 -4.479) 5.405 12.011 ( 0.000 6.451 16.688) 17.892 12.134 ( 0.000 -5.340 20.522) 21.205 13.186 ( 0.000 5.400 5.954) 8.038 13.306 ( 0.000 -5.871 11.943) 13.308 13.447 ( 0.000 13.660 0.271) 13.663 13.734 ( 0.000 -14.194 -4.457) 14.877 14.394 ( 0.000 8.058 -19.066) 20.698 14.569 ( 0.000 -7.798 -27.458) 28.544 15.402 ( 0.000 12.031 -8.307) 14.620 15.661 ( 0.000 -12.780 -4.803) 13.653 15.968 ( 0.000 12.446 -18.260) 22.098 16.247 ( 0.000 -15.061 -16.578) 22.398 21.336 ( 0.000 5.558 38.555) 38.953 21.451 ( 0.000 -6.285 36.781) 37.314 23.412 ( 0.000 3.524 -12.720) 13.199 23.490 ( 0.000 -3.726 -14.469) 14.942 ======================= Grid point 342 (116/180) ======================= q-point: ( 0.09 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( 5.610 3.641 21.679) 22.687 3.422 ( 4.879 -1.056 15.656) 16.433 4.598 ( -12.280 2.186 8.448) 15.065 5.046 ( 6.294 -0.521 6.421) 9.007 5.996 ( -7.886 5.094 9.942) 13.674 6.186 ( 0.354 -1.138 6.278) 6.390 7.209 ( -14.627 18.183 13.386) 26.903 7.412 ( -27.412 6.948 4.873) 28.696 7.753 ( -8.939 3.578 -15.512) 18.257 8.041 ( 17.453 11.384 -3.134) 21.072 8.131 ( -5.227 -10.300 -17.087) 20.625 8.503 ( -4.875 7.741 -6.937) 11.480 8.865 ( 17.378 21.199 10.673) 29.416 9.053 ( -19.419 -17.556 14.657) 30.002 9.419 ( 15.349 -18.934 4.433) 24.773 9.921 ( 6.161 -1.300 16.053) 17.244 10.424 ( -4.028 -0.267 3.947) 5.646 10.972 ( 25.659 -5.052 -16.770) 31.066 11.114 ( -17.043 0.111 -4.330) 17.585 11.576 ( 1.710 -0.082 -3.731) 4.104 11.901 ( -7.030 -0.040 12.622) 14.448 12.324 ( 13.420 1.455 23.432) 27.042 13.028 ( -7.442 -0.881 9.102) 11.790 13.365 ( -5.576 8.219 0.180) 9.933 13.479 ( 6.133 2.158 2.975) 7.150 13.711 ( -3.468 -11.181 -3.200) 12.136 14.291 ( -5.071 4.255 -18.550) 19.695 14.659 ( 1.007 1.311 -24.542) 24.598 15.241 ( -12.147 -1.398 -0.977) 12.266 15.594 ( -3.995 -5.518 -7.243) 9.943 15.887 ( -1.249 3.595 -12.715) 13.272 16.373 ( 5.210 -5.234 -23.119) 24.270 21.186 ( -9.011 -0.808 37.934) 38.998 21.595 ( 7.771 -0.285 34.141) 35.016 23.379 ( -2.407 2.014 -11.627) 12.043 23.524 ( 2.125 -2.746 -17.416) 17.758 ======================= Grid point 343 (117/180) ======================= q-point: ( 0.18 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( 10.457 0.079 19.611) 22.225 3.566 ( 9.329 2.618 9.039) 13.251 4.364 ( -10.080 -0.861 5.907) 11.715 5.129 ( 1.894 -0.027 9.604) 9.789 5.775 ( -12.682 5.984 -1.467) 14.099 6.120 ( -10.223 2.874 -0.306) 10.624 6.797 ( -16.047 6.991 3.041) 17.766 7.233 ( 3.408 4.830 15.533) 16.620 7.543 ( -10.510 1.375 -11.815) 15.873 7.813 ( -21.491 -7.122 -22.428) 31.869 8.230 ( -10.917 4.351 -16.544) 20.294 8.503 ( 12.018 11.453 3.203) 16.907 8.773 ( 0.367 -14.422 12.483) 19.077 9.325 ( 18.228 23.291 7.300) 30.463 9.689 ( 6.213 -7.465 4.813) 10.839 9.934 ( 0.889 -12.259 14.042) 18.661 10.371 ( -1.082 0.850 10.363) 10.454 10.783 ( -13.671 -1.007 -10.754) 17.423 11.501 ( 22.219 -2.875 -11.885) 25.361 11.552 ( -2.747 -0.528 -2.276) 3.606 11.755 ( -6.569 1.357 12.610) 14.283 12.560 ( 7.548 1.796 23.579) 24.822 12.946 ( -0.882 -0.260 5.159) 5.240 13.245 ( -5.453 0.698 4.854) 7.333 13.449 ( -12.734 -0.400 -8.906) 15.545 13.587 ( -3.830 -5.908 -5.477) 8.920 14.219 ( -5.032 12.218 -8.169) 15.535 14.490 ( -11.103 -9.581 -13.706) 20.073 15.183 ( 4.293 -1.115 2.400) 5.043 15.524 ( -3.538 -2.492 -10.991) 11.812 15.950 ( 6.952 3.827 -12.529) 14.831 16.397 ( -1.582 -2.925 -27.050) 27.253 21.014 ( -8.069 -3.684 35.547) 36.637 21.689 ( 0.891 1.312 29.633) 29.675 23.326 ( -2.889 1.230 -12.411) 12.802 23.540 ( -1.079 -3.071 -21.056) 21.306 ======================= Grid point 344 (118/180) ======================= q-point: ( 0.27 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( 12.541 -0.212 13.147) 18.170 3.789 ( 12.695 4.674 4.738) 14.334 4.236 ( -1.769 -5.327 -1.636) 5.846 5.116 ( -3.404 -1.255 16.523) 16.917 5.550 ( -8.739 7.105 -14.049) 18.006 5.800 ( -16.859 3.996 -7.686) 18.954 6.679 ( -1.037 -0.415 -7.811) 7.891 7.320 ( -18.518 2.122 -23.984) 30.375 7.383 ( -1.825 -0.357 -1.596) 2.450 7.408 ( 2.178 -3.880 10.263) 11.186 7.973 ( -10.519 -3.541 -3.839) 11.744 8.569 ( -5.498 -1.883 3.474) 6.771 9.023 ( 19.223 5.745 3.453) 20.359 9.506 ( -4.584 13.318 0.717) 14.103 9.600 ( -4.441 2.369 -1.859) 5.366 10.127 ( 13.476 -1.998 19.388) 23.695 10.406 ( 3.927 -4.105 6.637) 8.736 10.570 ( -6.793 -4.207 -10.288) 13.026 11.472 ( -4.136 0.093 -0.511) 4.168 11.552 ( -9.048 7.405 16.173) 19.957 11.940 ( 15.794 -3.405 -3.733) 16.583 12.553 ( -7.447 -4.691 18.814) 20.771 12.948 ( -12.796 -1.157 12.629) 18.016 12.992 ( -7.590 7.335 -13.826) 17.394 13.256 ( -0.182 -15.350 -5.570) 16.330 13.680 ( 12.098 2.129 -3.240) 12.704 14.053 ( -8.898 6.549 -7.789) 13.517 14.320 ( -9.251 -8.438 -3.744) 13.069 15.262 ( 1.848 2.888 2.566) 4.283 15.430 ( -6.753 -0.080 -15.823) 17.205 16.126 ( 9.447 8.931 -14.463) 19.447 16.384 ( 1.904 -5.531 -25.154) 25.825 20.875 ( -5.419 -5.539 32.741) 33.646 21.618 ( -7.828 1.004 25.816) 26.996 23.266 ( -2.950 0.592 -15.229) 15.523 23.477 ( -4.904 -3.459 -23.290) 24.051 ======================= Grid point 345 (119/180) ======================= q-point: ( 0.36 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.991 ( 12.285 4.719 4.783) 14.003 4.043 ( 11.625 3.000 1.186) 12.065 4.306 ( 8.132 -10.048 -8.596) 15.524 4.997 ( -8.161 -2.042 15.328) 17.485 5.441 ( -2.518 4.379 -17.808) 18.511 5.550 ( -7.814 3.046 -11.776) 14.457 6.599 ( -7.576 -2.825 -23.005) 24.385 6.878 ( -20.622 -5.374 -28.626) 35.687 7.395 ( 6.515 -1.938 -0.329) 6.805 7.630 ( 11.562 3.219 17.610) 21.311 7.865 ( -0.512 -3.779 7.393) 8.318 8.338 ( -16.426 -3.480 8.255) 18.710 9.325 ( -5.041 6.561 -2.641) 8.685 9.405 ( 9.138 3.983 -8.421) 13.048 9.518 ( -0.333 5.438 1.606) 5.680 10.311 ( -8.333 -0.384 -22.278) 23.788 10.396 ( 11.123 13.470 17.301) 24.587 10.682 ( 13.209 -12.832 13.625) 22.908 11.319 ( -12.939 9.419 23.168) 28.158 11.404 ( -4.321 -0.856 2.864) 5.254 12.137 ( 2.098 -1.705 8.454) 8.876 12.334 ( -13.356 -11.140 19.532) 26.153 12.656 ( -2.821 -2.487 -8.777) 9.549 12.976 ( -2.435 8.568 -5.299) 10.364 13.356 ( 8.668 -13.633 -9.799) 18.895 13.894 ( 0.196 5.443 -4.212) 6.885 14.013 ( 11.782 -0.925 -2.893) 12.167 14.081 ( -12.919 -5.968 -4.112) 14.813 15.205 ( -9.939 5.040 -9.443) 14.607 15.256 ( -7.431 0.179 -8.895) 11.592 16.310 ( 8.945 10.714 -17.481) 22.369 16.469 ( 4.921 -4.662 -17.863) 19.106 20.820 ( 0.415 -6.082 29.697) 30.317 21.397 ( -13.416 -0.644 23.727) 27.265 23.216 ( -1.751 -0.331 -18.753) 18.838 23.362 ( -6.004 -3.316 -24.113) 25.070 ======================= Grid point 346 (120/180) ======================= q-point: ( 0.45 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( 6.583 3.738 0.235) 7.574 4.217 ( 4.745 3.938 -5.269) 8.111 4.521 ( 12.921 -8.796 -5.939) 16.721 4.791 ( -12.586 -3.879 3.375) 13.596 5.429 ( 1.113 1.231 -15.670) 15.757 5.465 ( -2.053 2.534 -9.348) 9.900 6.462 ( -3.073 -4.024 -30.816) 31.229 6.546 ( -11.427 -6.390 -29.991) 32.724 7.613 ( 14.437 -1.343 4.672) 15.233 7.827 ( 7.074 2.018 15.911) 17.529 7.875 ( -2.323 0.973 14.261) 14.482 7.984 ( -15.750 -5.677 8.971) 18.994 9.241 ( -0.961 3.050 -2.267) 3.920 9.306 ( -6.950 0.684 -4.644) 8.387 9.804 ( 16.253 7.417 -11.928) 21.481 10.092 ( -12.556 4.009 -21.762) 25.442 10.653 ( 13.776 10.414 19.031) 25.699 10.885 ( -1.842 1.834 7.955) 8.369 11.104 ( 0.223 -0.623 28.429) 28.436 11.278 ( -9.088 -3.593 7.458) 12.293 12.096 ( -2.528 -4.399 13.762) 14.667 12.120 ( -6.023 -7.390 17.878) 20.261 12.765 ( 8.500 -0.807 -9.200) 12.552 12.902 ( -4.971 3.792 -7.593) 9.836 13.528 ( 8.643 -7.059 -5.687) 12.525 13.747 ( -13.114 -4.781 -1.948) 14.094 14.044 ( 9.736 -0.970 -14.722) 17.676 14.190 ( 0.262 0.115 -5.028) 5.036 15.023 ( -3.143 3.761 -14.161) 14.985 15.104 ( -8.078 2.661 -3.118) 9.058 16.465 ( 5.887 6.448 -16.531) 18.695 16.525 ( 0.068 0.857 -15.592) 15.616 20.903 ( 7.875 -5.052 26.394) 28.003 21.121 ( -13.240 -2.938 23.983) 27.552 23.206 ( 0.926 -1.507 -21.806) 21.877 23.257 ( -4.129 -2.609 -23.651) 24.151 ======================= Grid point 396 (121/180) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 0.000 0.000 31.328) 31.328 3.639 ( 0.000 0.000 23.805) 23.805 4.307 ( 0.000 0.000 -12.255) 12.255 4.379 ( 0.000 0.000 -18.775) 18.775 5.908 ( 0.000 0.000 -13.046) 13.046 5.963 ( 0.000 0.000 -18.847) 18.847 6.629 ( 0.000 0.000 26.004) 26.004 6.706 ( 0.000 0.000 12.743) 12.743 6.806 ( 0.000 0.000 15.677) 15.677 7.177 ( 0.000 0.000 12.133) 12.133 7.309 ( 0.000 0.000 14.312) 14.312 7.524 ( 0.000 0.000 -27.358) 27.358 9.264 ( 0.000 0.000 17.607) 17.607 9.897 ( 0.000 0.000 18.528) 18.528 10.393 ( 0.000 0.000 -5.507) 5.507 10.662 ( 0.000 0.000 6.099) 6.099 10.761 ( 0.000 0.000 -35.963) 35.963 10.807 ( 0.000 0.000 -5.073) 5.073 11.340 ( 0.000 0.000 3.861) 3.861 11.357 ( 0.000 0.000 1.301) 1.301 12.318 ( 0.000 0.000 16.367) 16.367 12.745 ( 0.000 0.000 2.652) 2.652 12.947 ( 0.000 0.000 -6.404) 6.404 13.015 ( 0.000 0.000 34.704) 34.704 13.311 ( 0.000 0.000 2.091) 2.091 13.596 ( 0.000 0.000 -37.637) 37.637 13.873 ( 0.000 0.000 -5.964) 5.964 14.682 ( 0.000 0.000 -27.269) 27.269 14.986 ( 0.000 0.000 2.305) 2.305 15.177 ( 0.000 0.000 -2.965) 2.965 16.231 ( 0.000 0.000 3.466) 3.466 16.580 ( 0.000 0.000 -15.501) 15.501 21.703 ( 0.000 0.000 38.321) 38.321 22.631 ( 0.000 0.000 22.827) 22.827 23.058 ( 0.000 0.000 -27.412) 27.412 23.417 ( 0.000 0.000 -15.524) 15.524 ======================= Grid point 397 (122/180) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( 10.406 0.000 28.806) 30.628 3.546 ( -7.767 0.000 23.205) 24.470 4.362 ( -1.547 0.000 -17.707) 17.775 4.400 ( 7.728 0.000 -10.636) 13.147 5.563 ( -26.982 0.000 -10.857) 29.085 5.645 ( -25.886 0.000 -15.976) 30.419 6.662 ( 5.265 0.000 20.704) 21.363 6.713 ( 1.320 0.000 10.123) 10.208 6.922 ( 4.812 0.000 2.565) 5.452 7.310 ( 12.824 0.000 19.893) 23.668 7.521 ( 0.316 0.000 -26.059) 26.061 7.628 ( 24.529 0.000 11.541) 27.108 9.269 ( 0.628 0.000 19.310) 19.320 9.734 ( -14.464 0.000 16.443) 21.899 10.244 ( -12.843 0.000 -5.491) 13.967 10.559 ( -10.337 0.000 -9.634) 14.131 10.814 ( 0.599 0.000 -3.451) 3.503 10.883 ( 11.638 0.000 -14.805) 18.832 11.403 ( 0.826 0.000 0.776) 1.134 11.413 ( 5.364 0.000 1.095) 5.474 12.306 ( -1.438 0.000 12.427) 12.510 12.549 ( -23.937 0.000 16.851) 29.273 12.762 ( -1.085 0.000 4.597) 4.723 12.866 ( -3.920 0.000 -5.713) 6.928 13.467 ( 11.790 0.000 3.040) 12.176 13.873 ( 5.158 0.000 -10.929) 12.085 14.080 ( 24.752 0.000 -16.907) 29.975 14.623 ( -5.523 0.000 -23.256) 23.903 14.934 ( -5.057 0.000 1.373) 5.240 15.137 ( -3.711 0.000 -4.705) 5.992 16.157 ( -7.240 0.000 3.444) 8.017 16.507 ( -7.048 0.000 -15.199) 16.754 21.679 ( -1.963 0.000 35.139) 35.193 22.649 ( 1.237 0.000 24.069) 24.101 22.895 ( -11.160 0.000 -23.797) 26.284 23.553 ( 8.392 0.000 -20.195) 21.869 ======================= Grid point 398 (123/180) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( -6.420 0.000 21.672) 22.602 3.790 ( 18.349 0.000 20.607) 27.593 4.332 ( -0.759 0.000 -12.634) 12.657 4.515 ( -0.905 0.000 -6.773) 6.833 5.021 ( -24.763 0.000 -17.350) 30.236 5.199 ( -11.055 0.000 -20.317) 23.130 6.751 ( 2.239 0.000 9.042) 9.315 6.862 ( 14.709 0.000 11.072) 18.410 6.960 ( 0.177 0.000 -0.897) 0.914 7.472 ( 1.252 0.000 -6.302) 6.425 7.663 ( 14.113 0.000 5.908) 15.299 8.112 ( 21.728 0.000 3.356) 21.985 9.296 ( 2.336 0.000 23.636) 23.751 9.390 ( -18.518 0.000 13.340) 22.822 9.946 ( -16.108 0.000 -7.452) 17.748 10.277 ( -17.641 0.000 -4.012) 18.091 10.827 ( 0.458 0.000 0.117) 0.472 11.154 ( 13.658 0.000 -14.903) 20.215 11.262 ( -14.528 0.000 6.178) 15.787 11.492 ( 1.896 0.000 -1.210) 2.250 12.214 ( -9.210 0.000 7.998) 12.198 12.263 ( -2.151 0.000 -0.233) 2.164 12.817 ( 5.988 0.000 5.399) 8.063 12.870 ( 4.043 0.000 1.875) 4.456 13.700 ( 10.669 0.000 3.358) 11.185 13.964 ( 4.733 0.000 -7.740) 9.072 14.461 ( 10.827 0.000 -11.574) 15.849 14.486 ( -7.512 0.000 -13.440) 15.397 14.799 ( -7.785 0.000 -0.710) 7.817 15.053 ( -3.841 0.000 -12.051) 12.649 15.953 ( -12.747 0.000 3.593) 13.244 16.317 ( -11.348 0.000 -14.874) 18.709 21.645 ( -1.040 0.000 28.796) 28.814 22.648 ( -2.065 0.000 25.512) 25.596 22.707 ( -6.863 0.000 -23.547) 24.527 23.655 ( 1.068 0.000 -23.193) 23.217 ======================= Grid point 399 (124/180) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( -0.654 0.000 15.862) 15.876 4.126 ( 9.168 0.000 -10.456) 13.906 4.302 ( -15.132 0.000 -9.799) 18.028 4.426 ( 13.798 0.000 9.223) 16.596 4.631 ( -11.576 0.000 -21.906) 24.776 5.331 ( 19.166 0.000 -19.742) 27.515 6.789 ( 1.241 0.000 6.812) 6.924 6.931 ( -4.149 0.000 0.928) 4.252 7.248 ( 23.585 0.000 2.886) 23.761 7.502 ( 3.183 0.000 -1.354) 3.459 7.940 ( 13.238 0.000 7.607) 15.268 8.446 ( 11.171 0.000 -5.892) 12.630 9.032 ( -16.803 0.000 10.050) 19.579 9.362 ( 2.975 0.000 20.964) 21.174 9.623 ( -15.097 0.000 -7.925) 17.050 9.863 ( -23.289 0.000 3.112) 23.496 10.792 ( -7.256 0.000 4.079) 8.324 10.940 ( -12.829 0.000 12.690) 18.045 11.362 ( 5.562 0.000 -19.331) 20.115 11.495 ( -0.704 0.000 -3.112) 3.190 12.121 ( -0.687 0.000 3.219) 3.292 12.263 ( 3.045 0.000 -10.493) 10.926 12.943 ( 4.428 0.000 5.084) 6.742 12.975 ( 4.732 0.000 7.412) 8.793 13.875 ( 6.473 0.000 4.926) 8.134 14.065 ( 5.570 0.000 -5.141) 7.580 14.344 ( -6.450 0.000 -2.819) 7.040 14.537 ( -0.407 0.000 -2.193) 2.230 14.674 ( -2.824 0.000 -4.049) 4.936 14.989 ( -3.489 0.000 -19.969) 20.272 15.667 ( -15.371 0.000 3.881) 15.854 16.068 ( -13.408 0.000 -14.968) 20.095 21.650 ( 1.747 0.000 23.257) 23.323 22.552 ( -7.545 0.000 25.278) 26.380 22.635 ( -0.275 0.000 -25.575) 25.576 23.592 ( -7.052 0.000 -24.825) 25.807 ======================= Grid point 400 (125/180) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 6.163 0.000 5.954) 8.569 4.022 ( -12.712 0.000 -12.163) 17.594 4.190 ( 1.117 0.000 -23.855) 23.881 4.372 ( -7.392 0.000 -33.782) 34.581 5.012 ( 32.621 0.000 22.868) 39.839 5.806 ( 26.087 0.000 -15.272) 30.228 6.739 ( -15.790 0.000 6.766) 17.179 6.780 ( -2.912 0.000 3.284) 4.389 7.641 ( 11.124 0.000 9.114) 14.381 7.789 ( 29.848 0.000 -3.933) 30.106 8.201 ( 12.784 0.000 2.736) 13.073 8.582 ( 3.706 0.000 -7.383) 8.261 8.720 ( -14.513 0.000 8.771) 16.958 9.233 ( -14.002 0.000 -9.560) 16.955 9.376 ( -24.304 0.000 5.166) 24.847 9.459 ( -5.831 0.000 4.839) 7.577 10.545 ( -9.980 0.000 16.749) 19.497 10.804 ( -5.854 0.000 13.560) 14.769 11.374 ( -1.841 0.000 -11.978) 12.119 11.482 ( -1.727 0.000 -16.111) 16.204 12.187 ( 7.261 0.000 2.875) 7.809 12.392 ( 9.387 0.000 -12.447) 15.590 12.922 ( -7.130 0.000 4.071) 8.211 12.998 ( -3.296 0.000 3.968) 5.158 13.959 ( 2.656 0.000 9.720) 10.077 14.205 ( 8.894 0.000 -0.640) 8.917 14.225 ( -5.657 0.000 5.574) 7.941 14.550 ( 2.749 0.000 -1.344) 3.060 14.752 ( 10.910 0.000 -8.966) 14.122 14.888 ( -6.380 0.000 -18.130) 19.220 15.351 ( -16.085 0.000 3.375) 16.435 15.779 ( -15.602 0.000 -14.790) 21.498 21.723 ( 5.705 0.000 20.231) 21.020 22.356 ( -11.661 0.000 23.649) 26.368 22.695 ( 6.230 0.000 -27.668) 28.360 23.393 ( -12.213 0.000 -26.308) 29.005 ======================= Grid point 401 (126/180) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( 10.688 0.000 -3.692) 11.307 3.778 ( -11.919 0.000 -10.017) 15.569 4.216 ( 1.721 0.000 -29.324) 29.374 4.266 ( -3.543 0.000 -33.583) 33.769 5.688 ( 33.471 0.000 20.143) 39.065 6.301 ( 21.902 0.000 -9.262) 23.780 6.304 ( -27.091 0.000 14.673) 30.809 6.641 ( -11.675 0.000 -2.389) 11.917 7.936 ( 17.629 0.000 13.598) 22.264 8.282 ( -12.932 0.000 9.201) 15.871 8.384 ( 26.461 0.000 -7.807) 27.589 8.599 ( 10.596 0.000 3.025) 11.019 8.628 ( 0.182 0.000 -6.589) 6.591 8.929 ( -19.895 0.000 1.830) 19.979 9.003 ( -5.722 0.000 -10.524) 11.979 9.181 ( -19.506 0.000 -8.327) 21.209 10.507 ( 4.917 0.000 21.978) 22.522 10.657 ( -8.425 0.000 17.633) 19.542 11.362 ( 1.230 0.000 -13.604) 13.659 11.419 ( -3.839 0.000 -17.780) 18.190 12.399 ( 13.369 0.000 3.544) 13.831 12.613 ( 12.147 0.000 -9.284) 15.289 12.689 ( -14.538 0.000 3.848) 15.039 12.850 ( -10.619 0.000 -3.399) 11.150 14.019 ( 3.896 0.000 11.751) 12.380 14.114 ( -5.334 0.000 10.387) 11.677 14.413 ( 11.017 0.000 -0.662) 11.037 14.587 ( -3.601 0.000 -2.670) 4.483 14.818 ( 4.091 0.000 -9.305) 10.165 15.036 ( -14.722 0.000 0.282) 14.724 15.063 ( 18.499 0.000 -11.777) 21.930 15.439 ( -18.325 0.000 -13.669) 22.861 21.880 ( 9.920 0.000 19.929) 22.261 22.108 ( -12.457 0.000 21.494) 24.843 22.874 ( 11.299 0.000 -28.454) 30.615 23.129 ( -13.574 0.000 -27.762) 30.903 ======================= Grid point 407 (127/180) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( 0.000 8.232 30.735) 31.818 3.674 ( 0.000 3.228 23.177) 23.400 4.401 ( 0.000 2.347 -16.165) 16.335 4.411 ( 0.000 9.356 -13.102) 16.099 5.957 ( 0.000 6.678 -10.861) 12.750 6.169 ( 0.000 17.436 -19.073) 25.842 6.673 ( 0.000 -1.507 19.708) 19.766 6.769 ( 0.000 6.243 10.770) 12.449 6.797 ( 0.000 4.288 29.418) 29.729 7.102 ( 0.000 -0.310 8.317) 8.323 7.487 ( 0.000 12.696 7.503) 14.747 7.556 ( 0.000 3.142 -26.903) 27.086 9.216 ( 0.000 -5.101 16.529) 17.298 9.974 ( 0.000 5.907 18.478) 19.399 10.293 ( 0.000 -5.594 -11.947) 13.192 10.604 ( 0.000 -4.457 8.614) 9.699 10.806 ( 0.000 -3.361 1.163) 3.556 10.894 ( 0.000 9.310 -27.685) 29.208 11.198 ( 0.000 -10.653 -0.463) 10.663 11.324 ( 0.000 -4.334 -2.295) 4.904 12.241 ( 0.000 -5.394 16.729) 17.577 12.826 ( 0.000 4.929 0.733) 4.983 12.937 ( 0.000 1.721 -4.518) 4.835 12.947 ( 0.000 -5.261 28.738) 29.215 13.389 ( 0.000 5.840 4.783) 7.548 13.713 ( 0.000 9.701 -35.894) 37.182 13.843 ( 0.000 -2.401 -3.578) 4.308 14.729 ( 0.000 2.625 -27.680) 27.804 14.912 ( 0.000 -5.704 6.461) 8.619 15.166 ( 0.000 -0.603 -6.190) 6.219 16.197 ( 0.000 -3.412 3.657) 5.002 16.557 ( 0.000 -2.571 -15.226) 15.442 21.750 ( 0.000 4.441 37.847) 38.107 22.566 ( 0.000 -6.136 23.188) 23.986 23.080 ( 0.000 1.948 -26.676) 26.747 23.341 ( 0.000 -6.731 -14.726) 16.192 ======================= Grid point 408 (128/180) ======================= q-point: ( 0.09 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( 1.909 5.591 26.809) 27.453 3.638 ( 2.366 7.620 24.086) 25.374 4.370 ( -2.597 1.410 -13.889) 14.200 4.492 ( 6.922 8.148 -12.623) 16.542 5.652 ( -25.704 8.519 -11.549) 29.439 5.764 ( -28.966 11.088 -10.975) 32.900 6.696 ( 0.224 2.004 14.260) 14.402 6.749 ( 3.763 4.264 14.272) 15.363 6.986 ( 8.427 6.415 3.922) 11.293 7.290 ( 13.706 0.761 16.536) 21.491 7.561 ( 1.638 4.319 -23.782) 24.226 7.735 ( 21.051 9.465 6.732) 24.043 9.170 ( -4.706 -8.799 17.929) 20.519 9.841 ( -10.967 7.547 17.071) 21.648 10.151 ( -12.088 -6.775 -10.426) 17.341 10.548 ( -8.925 -2.122 1.762) 9.341 10.831 ( -1.540 2.811 -7.976) 8.596 10.913 ( 9.263 -1.006 -6.000) 11.082 11.280 ( 5.052 -7.735 -3.453) 9.863 11.413 ( 5.591 -2.279 -3.325) 6.892 12.233 ( -1.603 -5.092 13.873) 14.865 12.599 ( -20.496 3.750 16.233) 26.413 12.830 ( -1.474 6.456 4.672) 8.104 12.871 ( -2.441 0.423 -6.962) 7.390 13.499 ( 8.425 2.853 5.795) 10.616 13.850 ( 6.428 -1.914 -10.739) 12.661 14.048 ( 15.767 -2.919 -15.778) 22.496 14.647 ( -7.658 -0.350 -26.420) 27.510 14.894 ( -1.561 -0.769 6.598) 6.823 15.182 ( 1.749 3.410 -8.369) 9.205 16.117 ( -7.820 -3.906 3.394) 9.377 16.475 ( -7.710 -3.218 -15.086) 17.245 21.730 ( -1.743 4.758 34.807) 35.174 22.556 ( -1.500 -8.072 21.922) 23.409 22.940 ( -8.536 3.521 -20.204) 22.214 23.478 ( 8.167 -6.791 -19.959) 22.609 ======================= Grid point 409 (129/180) ======================= q-point: ( 0.18 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( -5.464 6.616 20.815) 22.514 3.891 ( 17.704 8.402 20.572) 28.412 4.303 ( -3.727 -1.335 -7.813) 8.759 4.625 ( 2.582 8.800 -10.508) 13.947 5.120 ( -24.624 9.286 -17.129) 31.400 5.257 ( -15.670 6.073 -15.995) 23.201 6.755 ( 4.252 -1.802 6.606) 8.060 6.838 ( 4.742 3.093 9.688) 11.221 7.110 ( 7.120 10.563 0.830) 12.766 7.472 ( 2.885 0.565 -2.159) 3.647 7.706 ( 12.940 5.273 1.571) 14.061 8.167 ( 19.225 5.197 -0.326) 19.918 9.030 ( -8.844 -14.795 19.823) 26.269 9.623 ( -9.663 9.093 15.217) 20.189 9.881 ( -13.467 -4.478 -9.054) 16.835 10.261 ( -18.512 -1.440 0.882) 18.589 10.812 ( -0.878 -1.193 -0.173) 1.492 11.113 ( 4.264 -4.846 1.218) 6.569 11.288 ( -2.041 2.320 -10.288) 10.742 11.478 ( 1.260 -0.952 -0.268) 1.602 12.144 ( -5.174 -4.157 5.943) 8.909 12.365 ( -3.755 7.352 2.434) 8.607 12.823 ( 3.902 0.649 5.086) 6.443 12.926 ( 5.216 5.750 1.197) 7.855 13.665 ( 8.000 -2.753 6.165) 10.469 14.001 ( 8.403 1.209 -7.393) 11.257 14.201 ( -1.824 -12.334 -7.564) 14.583 14.473 ( -7.968 -11.038 -22.487) 26.287 14.863 ( -1.668 10.436 5.029) 11.704 15.223 ( 1.418 10.672 -12.485) 16.486 15.899 ( -13.433 -5.117 2.979) 14.680 16.277 ( -11.278 -3.924 -15.544) 19.601 21.695 ( -1.427 4.692 28.728) 29.144 22.494 ( -4.347 -10.313 15.493) 19.113 22.808 ( -5.006 5.376 -12.296) 14.323 23.577 ( 1.036 -7.313 -23.022) 24.178 ======================= Grid point 410 (130/180) ======================= q-point: ( 0.27 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( -1.200 6.984 15.009) 16.598 4.149 ( -1.860 1.386 -11.203) 11.441 4.318 ( 7.221 2.595 8.040) 11.114 4.533 ( -2.096 8.698 -10.728) 13.969 4.726 ( -11.119 9.381 -16.784) 22.211 5.322 ( 17.420 -0.899 -16.075) 23.720 6.821 ( 1.791 1.437 5.123) 5.613 6.889 ( -1.292 -1.661 2.592) 3.339 7.359 ( 17.715 8.531 2.258) 19.792 7.516 ( 3.994 2.214 -2.127) 5.037 7.965 ( 11.992 2.890 6.529) 13.957 8.431 ( 6.590 -2.853 -7.626) 10.474 8.857 ( -7.578 -8.909 14.287) 18.464 9.431 ( -11.159 -2.625 1.809) 11.605 9.687 ( -4.479 8.475 2.349) 9.869 9.832 ( -23.833 -2.342 6.259) 24.752 10.747 ( -8.083 -4.061 4.932) 10.303 10.948 ( -10.690 1.021 11.435) 15.687 11.356 ( 2.361 -0.680 -18.272) 18.437 11.485 ( 0.117 -0.509 -1.125) 1.240 12.101 ( 1.071 -1.154 2.237) 2.736 12.362 ( 2.937 7.915 -8.832) 12.218 12.937 ( 4.691 -0.236 6.220) 7.794 13.026 ( 3.535 4.639 6.426) 8.678 13.825 ( 8.088 -3.805 7.016) 11.363 14.067 ( -7.457 -10.510 -4.305) 13.586 14.154 ( 5.085 -0.331 -5.773) 7.700 14.380 ( 0.177 -17.934 -14.176) 22.861 14.807 ( -4.170 15.365 3.969) 16.408 15.201 ( -3.980 12.120 -12.983) 18.202 15.608 ( -14.872 -5.508 2.684) 16.085 16.052 ( -10.877 -1.215 -17.200) 20.387 21.684 ( 0.513 3.152 23.524) 23.739 22.396 ( -5.627 -11.013 15.971) 20.199 22.726 ( -2.893 4.938 -15.011) 16.065 23.516 ( -6.774 -7.186 -24.803) 26.696 ======================= Grid point 411 (131/180) ======================= q-point: ( 0.36 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 5.180 5.575 5.721) 9.521 4.011 ( -9.414 -0.085 -9.552) 13.411 4.278 ( -3.111 7.144 -25.218) 26.395 4.415 ( -8.089 4.264 -31.881) 33.166 5.047 ( 30.231 2.773 21.351) 37.114 5.768 ( 24.756 -4.089 -11.439) 27.576 6.727 ( -14.583 -1.670 6.253) 15.955 6.815 ( -3.587 2.935 2.015) 5.054 7.635 ( 11.935 -0.309 7.904) 14.319 7.833 ( 24.265 3.635 -4.508) 24.947 8.165 ( 6.860 -4.789 4.445) 9.474 8.499 ( 3.866 -5.638 -4.650) 8.267 8.715 ( -7.301 1.757 3.936) 8.478 9.198 ( -10.835 -3.369 -10.185) 15.248 9.336 ( -24.128 -1.467 8.833) 25.735 9.615 ( -7.527 10.597 -1.473) 13.082 10.526 ( -8.387 -1.671 16.578) 18.654 10.808 ( -6.012 1.200 13.813) 15.113 11.342 ( -1.859 -2.536 -11.031) 11.470 11.470 ( -2.467 -0.577 -12.905) 13.151 12.188 ( 7.619 0.389 3.137) 8.249 12.474 ( 7.889 6.365 -10.820) 14.826 12.921 ( -6.986 -0.142 3.865) 7.985 13.027 ( -4.007 2.244 3.972) 6.072 13.953 ( 2.308 -1.684 9.624) 10.040 14.007 ( 3.505 -11.584 2.483) 12.355 14.228 ( 5.113 -4.906 -5.261) 8.826 14.460 ( 3.710 -12.171 -8.783) 15.461 14.731 ( -1.661 9.986 1.144) 10.188 15.089 ( -6.285 8.939 -6.347) 12.637 15.338 ( -10.488 -0.173 -1.818) 10.645 15.832 ( -11.648 5.221 -18.225) 22.250 21.726 ( 3.947 0.268 20.837) 21.209 22.248 ( -9.401 -9.598 21.894) 25.687 22.724 ( 3.354 2.144 -24.656) 24.975 23.327 ( -11.546 -6.339 -26.346) 29.455 ======================= Grid point 412 (132/180) ======================= q-point: ( 0.45 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 9.968 4.021 -3.470) 11.295 3.804 ( -10.961 2.558 -9.135) 14.496 4.256 ( 0.630 3.764 -29.325) 29.572 4.299 ( -3.779 3.220 -32.812) 33.186 5.681 ( 31.452 -1.489 20.092) 37.352 6.172 ( -0.446 -8.433 8.174) 11.753 6.392 ( -3.255 3.083 -1.803) 4.832 6.657 ( -12.775 0.777 -3.609) 13.297 7.930 ( 16.099 -0.304 11.765) 19.942 8.175 ( -6.151 -9.064 8.619) 13.938 8.257 ( 15.612 -8.917 -2.626) 18.170 8.516 ( -10.742 -7.432 -3.436) 13.507 8.748 ( 17.772 9.741 -3.304) 20.534 8.964 ( -9.967 3.446 1.583) 10.664 9.034 ( -3.664 2.587 -10.583) 11.494 9.296 ( -22.359 9.074 -11.020) 26.527 10.513 ( 5.590 1.024 21.445) 22.185 10.665 ( -8.165 1.390 17.368) 19.242 11.332 ( 1.349 -2.237 -11.653) 11.943 11.394 ( -4.297 -1.547 -14.692) 15.385 12.400 ( 13.045 0.314 3.810) 13.593 12.640 ( 1.524 1.738 -2.277) 3.245 12.715 ( -5.176 2.100 -2.006) 5.935 12.881 ( -9.625 2.067 -2.658) 10.197 14.000 ( 3.307 -3.676 8.705) 10.011 14.056 ( -0.894 -3.852 7.606) 8.573 14.378 ( 7.950 -6.307 -6.142) 11.862 14.474 ( -1.365 -10.255 -5.956) 11.938 14.745 ( 3.422 -2.475 2.440) 4.877 14.914 ( -11.307 -1.076 8.260) 14.044 15.322 ( 9.216 13.870 -15.846) 22.987 15.576 ( -13.781 11.431 -17.896) 25.315 21.847 ( 8.087 -3.188 20.741) 22.489 22.039 ( -10.689 -6.540 22.081) 25.389 22.857 ( 9.437 -1.699 -27.923) 29.523 23.081 ( -12.375 -4.568 -27.705) 30.685 ======================= Grid point 418 (133/180) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( 0.000 8.147 30.408) 31.480 3.751 ( 0.000 3.807 21.936) 22.264 4.481 ( 0.000 5.617 -11.361) 12.674 4.628 ( 0.000 10.580 -14.689) 18.102 6.146 ( 0.000 10.720 -1.698) 10.854 6.541 ( 0.000 -6.442 24.873) 25.693 6.614 ( 0.000 25.252 -20.555) 32.560 6.964 ( 0.000 13.163 4.871) 14.035 7.056 ( 0.000 16.863 21.913) 27.650 7.191 ( 0.000 8.979 6.791) 11.258 7.652 ( 0.000 6.464 -25.386) 26.196 7.807 ( 0.000 19.108 1.456) 19.163 9.048 ( 0.000 -11.441 14.956) 18.831 9.985 ( 0.000 -6.126 -2.838) 6.752 10.316 ( 0.000 7.723 4.503) 8.940 10.487 ( 0.000 -10.240 14.284) 17.575 10.572 ( 0.000 -17.026 15.542) 23.053 10.937 ( 0.000 -15.138 -6.980) 16.669 11.052 ( 0.000 5.787 -20.094) 20.911 11.279 ( 0.000 0.898 -12.924) 12.956 12.178 ( 0.000 0.286 19.587) 19.589 12.833 ( 0.000 -5.904 24.047) 24.761 12.888 ( 0.000 3.698 -8.881) 9.621 13.071 ( 0.000 9.163 5.717) 10.800 13.492 ( 0.000 3.901 -2.465) 4.615 13.798 ( 0.000 -2.225 5.280) 5.729 13.907 ( 0.000 8.069 -33.928) 34.874 14.603 ( 0.000 -13.570 -9.309) 16.456 14.924 ( 0.000 5.437 -3.315) 6.368 15.195 ( 0.000 4.738 -13.417) 14.229 16.091 ( 0.000 -7.228 3.861) 8.194 16.461 ( 0.000 -7.330 -14.267) 16.040 21.863 ( 0.000 6.177 36.573) 37.091 22.406 ( 0.000 -8.877 24.679) 26.227 23.124 ( 0.000 2.119 -24.797) 24.887 23.193 ( 0.000 -6.699 -14.216) 15.716 ======================= Grid point 419 (134/180) ======================= q-point: ( 0.09 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.686 ( -1.509 6.348 23.849) 24.725 3.786 ( 7.469 5.799 25.503) 27.200 4.428 ( -4.692 4.332 -9.055) 11.081 4.686 ( 5.148 9.726 -14.861) 18.492 5.878 ( -24.654 13.108 -4.866) 28.343 6.047 ( -28.459 15.420 0.053) 32.368 6.750 ( -5.120 4.629 5.020) 8.534 6.872 ( 5.125 8.486 11.475) 15.165 7.186 ( 7.359 11.452 -0.071) 13.613 7.399 ( 11.042 10.557 9.940) 18.226 7.706 ( 6.234 9.984 -17.264) 20.894 8.000 ( 16.394 16.683 -0.823) 23.405 8.937 ( -9.676 -13.859 17.407) 24.264 9.827 ( -13.052 -11.110 -5.197) 17.911 10.115 ( -12.226 3.077 9.781) 15.956 10.497 ( -5.115 -2.012 10.353) 11.721 10.737 ( 12.428 -13.879 12.360) 22.357 10.902 ( -8.622 2.501 -10.861) 14.091 11.112 ( 13.560 -10.336 -11.649) 20.650 11.386 ( 5.943 0.660 -12.384) 13.752 12.167 ( -2.614 -0.712 16.424) 16.646 12.676 ( -10.762 3.782 16.610) 20.149 12.885 ( -3.194 1.260 -7.979) 8.687 13.009 ( 0.512 10.898 4.247) 11.707 13.556 ( 2.870 1.958 8.236) 8.939 13.822 ( 4.004 -0.112 -7.751) 8.725 13.964 ( 3.183 -5.561 -17.093) 18.255 14.533 ( -7.910 -9.134 -14.164) 18.618 14.983 ( 5.026 7.751 -2.534) 9.580 15.255 ( 6.246 3.928 -11.973) 14.064 16.003 ( -8.588 -7.357 3.073) 11.718 16.370 ( -8.495 -7.357 -14.706) 18.509 21.848 ( -1.471 6.121 34.279) 34.852 22.368 ( -3.577 -9.390 22.995) 25.094 23.013 ( -5.768 3.396 -17.426) 18.667 23.317 ( 6.284 -8.152 -20.666) 23.087 ======================= Grid point 420 (135/180) ======================= q-point: ( 0.18 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( -3.488 8.107 18.326) 20.340 4.031 ( 15.699 3.346 22.789) 27.875 4.310 ( -6.756 2.288 -5.051) 8.740 4.805 ( 5.065 7.904 -15.016) 17.709 5.358 ( -22.629 13.841 -10.357) 28.477 5.483 ( -25.795 16.844 -7.444) 31.694 6.720 ( 1.909 -0.911 6.167) 6.520 6.946 ( 1.478 6.415 3.622) 7.513 7.309 ( 6.654 7.054 0.216) 9.700 7.552 ( 4.834 8.912 -2.795) 10.517 7.897 ( 10.759 13.326 0.359) 17.131 8.268 ( 5.570 0.467 -7.766) 9.568 8.785 ( -1.124 -5.274 20.315) 21.018 9.535 ( -15.091 -14.574 -7.441) 22.261 9.918 ( -7.489 4.536 12.315) 15.110 10.251 ( -17.568 1.726 4.711) 18.271 10.768 ( -4.570 -4.279 0.186) 6.264 10.968 ( 6.700 -8.408 10.741) 15.197 11.315 ( 4.735 -0.377 -18.819) 19.409 11.472 ( 2.806 0.243 -2.646) 3.865 12.062 ( -4.613 -3.497 10.364) 11.871 12.541 ( -3.307 9.438 -2.226) 10.245 12.851 ( 3.003 2.629 8.425) 9.323 13.097 ( 4.659 10.401 1.249) 11.465 13.598 ( 3.221 -4.061 9.955) 11.224 13.895 ( 1.202 -8.829 -6.401) 10.972 14.014 ( 0.992 -9.827 -8.886) 13.286 14.322 ( -9.756 -0.978 -17.288) 19.875 15.077 ( 3.536 9.567 2.040) 10.401 15.393 ( 4.786 5.514 -10.614) 12.883 15.765 ( -14.423 -7.568 0.984) 16.317 16.168 ( -9.937 -6.505 -17.610) 21.242 21.807 ( -2.553 5.156 29.529) 30.084 22.276 ( -5.366 -9.988 20.071) 23.052 22.910 ( -4.880 4.764 -14.505) 16.028 23.388 ( 0.242 -10.623 -23.259) 25.571 ======================= Grid point 421 (136/180) ======================= q-point: ( 0.27 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.570 ( -1.405 9.714 12.483) 15.880 4.168 ( -6.953 0.655 -0.140) 6.985 4.364 ( 14.617 0.177 8.035) 16.681 4.733 ( -10.908 10.547 -22.379) 27.038 5.001 ( -13.069 17.385 -8.878) 23.492 5.303 ( 10.260 -0.319 -7.949) 12.983 6.769 ( 0.677 -4.547 3.730) 5.920 6.938 ( -2.167 3.631 -0.648) 4.278 7.451 ( 6.279 0.323 3.298) 7.099 7.665 ( 9.015 10.703 -6.249) 15.326 8.021 ( -0.099 -2.262 8.187) 8.495 8.307 ( 5.021 -3.321 -5.077) 7.875 8.864 ( 3.431 9.327 5.864) 11.539 9.263 ( -10.913 -11.152 -6.833) 17.034 9.741 ( -16.229 -2.905 11.119) 19.886 9.924 ( -8.787 9.941 2.877) 13.576 10.647 ( -8.304 -5.480 7.278) 12.327 10.972 ( -4.239 0.461 9.664) 10.563 11.344 ( -0.810 0.007 -15.056) 15.078 11.502 ( 0.624 2.737 0.831) 2.927 12.065 ( 4.191 -2.818 4.108) 6.510 12.518 ( 0.869 6.046 -11.172) 12.732 12.959 ( 4.597 3.078 11.884) 13.108 13.120 ( -2.206 2.903 5.882) 6.920 13.730 ( 8.540 -5.185 2.589) 10.320 13.871 ( -5.298 -5.648 -0.216) 7.747 13.917 ( -3.081 -19.304 -8.565) 21.342 14.299 ( 4.298 4.021 -11.302) 12.743 15.088 ( -3.688 11.874 5.803) 13.721 15.364 ( -7.604 1.831 -4.165) 8.861 15.488 ( -10.548 -3.141 -5.375) 12.248 16.034 ( -3.494 -0.570 -21.775) 22.061 21.754 ( -2.471 2.555 25.452) 25.699 22.159 ( -6.342 -10.940 19.929) 23.603 22.816 ( -4.213 4.066 -16.840) 17.828 23.324 ( -6.340 -11.196 -25.140) 28.241 ======================= Grid point 422 (137/180) ======================= q-point: ( 0.36 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.587 ( 3.535 9.440 4.717) 11.129 4.033 ( -6.751 2.199 -3.466) 7.901 4.428 ( -4.985 6.875 -27.078) 28.378 4.537 ( -8.925 7.219 -24.630) 27.173 5.096 ( 20.774 2.281 15.761) 26.176 5.633 ( 19.633 -8.975 -3.439) 21.860 6.647 ( -13.285 -6.910 3.250) 15.323 6.851 ( -7.263 -1.031 -2.935) 7.901 7.609 ( 11.556 -3.276 4.803) 12.936 7.904 ( 11.457 0.017 -7.379) 13.628 8.006 ( 1.499 -5.252 12.819) 13.934 8.458 ( 6.901 0.389 -8.227) 10.745 8.830 ( -4.022 9.582 1.636) 10.520 9.134 ( -2.721 -0.870 -7.311) 7.849 9.330 ( -19.949 0.739 8.389) 21.654 9.799 ( -10.117 6.720 -10.262) 15.901 10.504 ( -2.498 0.537 18.556) 18.731 10.878 ( -5.181 5.525 12.698) 14.785 11.308 ( -1.786 -0.106 -8.314) 8.504 11.483 ( -3.023 2.262 -5.939) 7.038 12.198 ( 8.782 0.240 3.602) 9.495 12.572 ( 4.506 1.957 -8.549) 9.860 12.922 ( -8.132 0.310 5.099) 9.604 13.046 ( -5.824 -1.669 6.439) 8.841 13.735 ( 0.388 -11.460 -4.957) 12.492 13.948 ( 4.389 -13.923 -4.613) 15.310 13.989 ( 10.385 -1.782 7.600) 12.991 14.329 ( -2.426 -4.695 -5.811) 7.854 14.913 ( -11.458 6.461 4.230) 13.817 15.183 ( -9.338 2.232 8.504) 12.826 15.421 ( 4.052 8.719 -17.234) 19.735 15.968 ( -4.587 7.096 -22.099) 23.660 21.723 ( -0.224 -1.314 23.394) 23.432 22.019 ( -7.591 -11.402 22.395) 26.252 22.763 ( -0.465 1.573 -22.793) 22.852 23.155 ( -9.831 -10.033 -26.705) 30.174 ======================= Grid point 423 (138/180) ======================= q-point: ( 0.45 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( 8.168 7.845 -3.046) 11.728 3.883 ( -8.444 5.304 -6.648) 11.985 4.358 ( -0.926 6.205 -29.785) 30.439 4.397 ( -4.652 6.420 -28.773) 29.845 5.589 ( 25.365 -8.118 19.181) 32.821 5.934 ( 0.861 -15.174 13.445) 20.292 6.388 ( -2.632 -4.603 -7.533) 9.212 6.618 ( -15.476 -6.200 -8.116) 18.542 7.898 ( 14.518 -5.116 6.683) 16.781 8.036 ( 1.756 -0.946 10.850) 11.031 8.090 ( 6.771 -6.816 0.868) 9.647 8.371 ( -15.393 -6.395 -0.889) 16.692 8.933 ( 11.558 7.841 -4.684) 14.731 9.059 ( -6.523 5.504 -0.283) 8.539 9.134 ( 5.775 8.240 -9.526) 13.856 9.466 ( -20.832 6.909 -15.977) 27.147 10.577 ( 7.806 6.137 20.396) 22.685 10.746 ( -8.049 7.278 16.445) 19.703 11.308 ( 2.278 0.530 -7.209) 7.579 11.391 ( -5.303 1.660 -7.936) 9.688 12.413 ( 12.525 0.819 4.387) 13.296 12.657 ( -5.437 -0.738 4.141) 6.874 12.735 ( -0.009 -0.628 -3.938) 3.987 12.887 ( -9.019 -2.223 0.134) 9.290 13.834 ( 8.129 -10.798 0.543) 13.526 13.995 ( -4.736 -4.114 3.275) 7.077 14.124 ( 6.568 -15.597 -8.607) 18.987 14.261 ( -4.583 -10.064 -6.194) 12.675 14.793 ( 2.872 5.450 11.386) 12.946 14.972 ( -11.498 6.269 13.538) 18.835 15.600 ( 11.741 13.526 -21.134) 27.703 15.825 ( -9.671 12.032 -21.788) 26.702 21.757 ( 3.722 -5.694 23.227) 24.203 21.868 ( -7.058 -9.507 23.602) 26.405 22.810 ( 5.133 -2.766 -26.898) 27.523 22.958 ( -9.209 -7.116 -27.695) 30.041 ======================= Grid point 429 (139/180) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.781 ( 0.000 3.580 30.524) 30.733 3.811 ( 0.000 1.926 22.441) 22.524 4.618 ( 0.000 7.441 -9.599) 12.145 4.792 ( 0.000 5.128 -15.335) 16.170 6.344 ( 0.000 8.145 10.459) 13.256 6.473 ( 0.000 -0.644 25.624) 25.632 7.111 ( 0.000 21.543 -21.061) 30.127 7.295 ( 0.000 19.191 -1.510) 19.250 7.299 ( 0.000 8.400 -10.539) 13.477 7.547 ( 0.000 22.382 24.412) 33.119 7.829 ( 0.000 11.713 -21.702) 24.661 8.245 ( 0.000 23.287 -3.120) 23.495 8.771 ( 0.000 -14.989 16.269) 22.122 9.802 ( 0.000 -10.486 -14.527) 17.916 10.019 ( 0.000 -29.167 15.840) 33.191 10.285 ( 0.000 -18.471 15.994) 24.433 10.484 ( 0.000 7.258 13.301) 15.153 10.684 ( 0.000 -7.203 -2.123) 7.509 11.136 ( 0.000 3.322 -14.397) 14.776 11.310 ( 0.000 0.938 -15.201) 15.229 12.257 ( 0.000 6.860 21.847) 22.899 12.709 ( 0.000 -6.343 22.299) 23.184 13.013 ( 0.000 8.493 -8.000) 11.668 13.268 ( 0.000 10.339 6.218) 12.065 13.549 ( 0.000 1.457 -16.875) 16.938 13.721 ( 0.000 -5.855 15.051) 16.150 14.008 ( 0.000 1.832 -31.064) 31.118 14.300 ( 0.000 -15.097 -5.314) 16.005 15.068 ( 0.000 9.607 -2.141) 9.843 15.367 ( 0.000 11.617 -16.003) 19.775 15.902 ( 0.000 -11.474 3.348) 11.953 16.253 ( 0.000 -13.071 -12.881) 18.352 21.980 ( 0.000 5.075 34.745) 35.114 22.240 ( 0.000 -6.951 27.194) 28.069 23.102 ( 0.000 -2.117 -15.580) 15.723 23.152 ( 0.000 0.353 -22.453) 22.456 ======================= Grid point 430 (140/180) ======================= q-point: ( 0.09 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( -0.934 3.316 22.441) 22.704 3.854 ( 5.686 1.190 27.179) 27.792 4.532 ( -7.065 5.428 -6.771) 11.190 4.843 ( 3.761 5.389 -17.237) 18.447 6.147 ( -19.878 12.349 10.522) 25.658 6.318 ( -13.958 10.026 13.084) 21.599 6.940 ( -17.947 14.809 -5.419) 23.891 7.103 ( -0.788 13.441 -3.672) 13.956 7.359 ( 1.240 6.365 -4.815) 8.077 7.704 ( 5.767 16.514 2.126) 17.621 7.940 ( 11.842 11.708 -8.809) 18.839 8.319 ( -3.788 6.396 -10.025) 12.480 8.704 ( 3.263 -0.312 21.116) 21.369 9.518 ( -18.428 -17.347 -9.112) 26.898 10.055 ( -0.524 -12.636 17.395) 21.507 10.382 ( 5.227 -9.529 14.461) 18.090 10.586 ( 2.264 2.117 14.728) 15.051 10.855 ( 17.286 -12.515 -12.581) 24.773 10.936 ( -10.103 -0.118 -12.109) 15.770 11.413 ( 4.455 1.270 -13.268) 14.054 12.196 ( -6.462 2.738 18.477) 19.765 12.750 ( 3.617 3.415 20.124) 20.729 12.933 ( -6.864 3.735 -9.649) 12.416 13.245 ( 1.471 11.251 5.375) 12.555 13.569 ( -2.212 0.365 2.004) 3.007 13.775 ( 4.739 -8.402 -4.445) 10.622 13.889 ( -7.128 1.052 -15.585) 17.170 14.353 ( 1.429 -7.517 -10.762) 13.205 15.134 ( 5.306 6.459 -2.747) 8.799 15.368 ( 1.754 7.815 -13.243) 15.477 15.822 ( -7.740 -10.408 1.976) 13.120 16.182 ( -6.729 -10.859 -14.713) 19.486 21.934 ( -4.272 1.296 34.121) 34.411 22.231 ( -1.253 -3.018 25.188) 25.399 23.069 ( -2.663 1.975 -15.109) 15.468 23.179 ( 1.477 -5.150 -23.117) 23.729 ======================= Grid point 431 (141/180) ======================= q-point: ( 0.18 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( -1.002 5.339 16.643) 17.507 4.019 ( 10.284 -3.323 24.011) 26.331 4.374 ( -8.072 3.200 -3.233) 9.265 4.917 ( 3.215 3.182 -20.127) 20.629 5.686 ( -22.805 17.840 5.524) 29.477 5.889 ( -26.344 21.627 0.072) 34.084 6.722 ( -4.316 1.178 3.385) 5.610 7.081 ( -2.937 6.557 -9.174) 11.653 7.394 ( 2.296 2.671 3.038) 4.652 7.759 ( 0.815 7.203 -10.458) 12.725 8.029 ( -16.170 -17.205 2.886) 23.787 8.212 ( 12.594 13.597 -3.536) 18.868 8.952 ( 14.444 17.295 7.106) 23.628 9.217 ( -10.699 -13.251 -3.886) 17.469 9.952 ( -9.342 -0.710 14.833) 17.544 10.336 ( -11.336 4.961 6.397) 13.929 10.588 ( -1.029 -12.676 2.040) 12.880 10.832 ( 3.764 -4.952 13.157) 14.553 11.261 ( 15.270 -5.008 -20.844) 26.320 11.468 ( 2.927 -0.594 -8.246) 8.770 12.036 ( -7.355 1.199 16.682) 18.271 12.701 ( -6.963 5.981 -12.360) 15.395 12.939 ( 5.467 4.837 17.398) 18.867 13.287 ( -0.674 7.305 3.878) 8.298 13.506 ( -1.661 -5.713 5.164) 7.878 13.690 ( -5.359 -9.205 -3.553) 11.228 13.916 ( 0.928 2.172 -5.389) 5.884 14.329 ( -1.293 -0.807 -13.790) 13.874 15.229 ( 4.109 5.046 2.997) 7.164 15.437 ( 0.219 -1.351 -6.554) 6.696 15.636 ( -7.856 -3.176 -5.285) 9.986 16.027 ( -6.514 -7.244 -20.252) 22.473 21.826 ( -6.122 -4.088 32.749) 33.566 22.177 ( -4.295 1.321 21.708) 22.168 22.996 ( -4.662 3.640 -15.032) 16.153 23.179 ( -1.939 -9.361 -24.883) 26.657 ======================= Grid point 432 (142/180) ======================= q-point: ( 0.27 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.754 ( 0.461 8.168 10.025) 12.940 4.168 ( -2.162 -1.508 13.143) 13.405 4.307 ( 7.882 -4.433 1.315) 9.138 4.910 ( -6.790 5.100 -25.962) 27.316 5.362 ( -6.324 11.381 1.407) 13.096 5.414 ( -17.930 19.377 -0.992) 26.419 6.656 ( -5.420 -7.031 0.977) 8.931 6.961 ( -9.636 -2.893 -11.247) 15.091 7.403 ( -0.138 -5.419 1.352) 5.587 7.742 ( -0.927 -6.513 -8.178) 10.496 7.900 ( 4.414 -0.716 10.746) 11.639 8.417 ( 6.952 7.988 -7.319) 12.873 9.090 ( -2.734 0.721 1.394) 3.153 9.162 ( 5.879 14.576 -0.801) 15.738 9.684 ( -16.781 -2.565 9.634) 19.520 10.104 ( -10.205 6.882 -6.484) 13.912 10.545 ( -1.707 -3.617 14.601) 15.139 10.934 ( 4.204 -4.414 13.322) 14.650 11.368 ( -0.354 2.297 -11.935) 12.159 11.582 ( 3.715 3.609 -6.194) 8.074 12.001 ( 5.418 -2.211 10.333) 11.875 12.591 ( -3.704 2.329 -13.616) 14.301 12.992 ( -0.862 -4.434 14.446) 15.135 13.148 ( -11.202 3.414 7.404) 13.855 13.490 ( -0.696 -17.744 -6.455) 18.895 13.742 ( 4.907 2.698 -0.191) 5.603 13.838 ( -1.082 1.014 4.906) 5.126 14.335 ( -1.324 -1.170 -7.577) 7.780 15.255 ( -12.977 -1.283 -2.946) 13.369 15.292 ( 0.441 1.989 8.533) 8.773 15.559 ( -1.529 6.770 -16.479) 17.881 16.011 ( 3.909 -2.283 -22.752) 23.198 21.704 ( -5.661 -7.536 31.246) 32.636 22.056 ( -7.750 1.330 20.348) 21.814 22.889 ( -5.743 3.012 -17.763) 18.910 23.096 ( -6.163 -10.555 -26.459) 29.146 ======================= Grid point 433 (143/180) ======================= q-point: ( 0.36 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.791 ( 3.524 10.366 3.343) 11.448 4.085 ( -3.780 2.422 2.268) 5.030 4.487 ( 5.394 -3.620 -7.807) 10.156 4.693 ( -10.984 9.110 -26.921) 30.469 5.208 ( 0.037 10.431 4.360) 11.306 5.448 ( 9.655 -7.681 3.158) 12.735 6.434 ( -15.460 -14.004 -4.637) 21.369 6.708 ( -15.116 -13.647 -11.743) 23.508 7.503 ( 10.600 -5.587 3.998) 12.632 7.810 ( 7.697 -3.127 -2.576) 8.698 8.049 ( 7.378 2.500 10.932) 13.423 8.452 ( -4.426 -0.612 -4.847) 6.592 9.060 ( -1.023 11.686 0.215) 11.732 9.232 ( 3.163 10.018 -3.536) 11.084 9.357 ( -13.696 1.693 3.389) 14.210 9.873 ( -13.939 0.488 -17.537) 22.408 10.589 ( 6.556 8.342 21.776) 24.223 10.985 ( 0.900 3.607 12.077) 12.636 11.346 ( -1.288 3.337 -5.064) 6.200 11.568 ( -3.917 6.089 0.395) 7.251 12.194 ( 11.632 -0.347 2.111) 11.827 12.552 ( -0.127 -2.709 -5.612) 6.233 12.892 ( -10.037 -8.122 7.234) 14.800 12.943 ( -7.166 -3.921 9.288) 12.369 13.498 ( 1.975 -14.071 -7.177) 15.918 13.710 ( 1.617 -3.695 -9.022) 9.882 14.021 ( 6.092 1.612 8.106) 10.267 14.208 ( -8.547 -6.508 -0.950) 10.784 14.968 ( -11.991 0.154 -0.738) 12.015 15.275 ( -3.936 6.384 12.281) 14.390 15.633 ( 9.015 11.047 -23.074) 27.124 16.078 ( 1.112 3.212 -22.158) 22.418 21.617 ( -2.680 -8.944 29.558) 30.997 21.880 ( -9.315 -1.759 21.867) 23.833 22.788 ( -3.805 0.839 -22.357) 22.694 22.951 ( -7.627 -9.327 -27.628) 30.141 ======================= Grid point 434 (144/180) ======================= q-point: ( 0.45 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( 6.225 10.061 -2.379) 12.067 4.008 ( -4.593 6.560 -3.034) 8.563 4.503 ( -0.859 7.235 -23.989) 25.071 4.537 ( -4.591 6.925 -23.445) 24.874 5.388 ( 14.490 -9.364 14.296) 22.406 5.595 ( -0.512 -16.726 13.839) 21.715 6.193 ( -2.621 -13.881 -14.837) 20.487 6.380 ( -16.220 -16.539 -14.875) 27.529 7.789 ( 16.575 -4.019 7.081) 18.467 8.003 ( 7.818 -1.189 3.139) 8.508 8.090 ( -3.457 3.545 10.274) 11.405 8.255 ( -12.424 -5.321 2.389) 13.725 9.075 ( 3.186 6.391 -2.577) 7.592 9.168 ( -5.958 4.643 -0.981) 7.617 9.341 ( 8.121 10.957 -11.857) 18.072 9.573 ( -14.569 4.036 -18.413) 23.824 10.770 ( 10.129 12.272 18.626) 24.497 10.942 ( -5.884 10.709 14.168) 18.709 11.354 ( 3.005 3.571 -0.991) 4.771 11.457 ( -6.354 4.468 0.290) 7.773 12.423 ( 10.751 -0.037 4.457) 11.638 12.572 ( -0.665 -7.402 8.009) 10.926 12.711 ( -4.597 -2.052 -1.446) 5.238 12.789 ( -7.956 -6.288 1.999) 10.336 13.610 ( 9.584 -10.731 -2.851) 14.668 13.837 ( 0.858 -11.333 -5.415) 12.590 13.876 ( -3.644 -6.932 -5.716) 9.695 14.092 ( -9.763 -6.534 -8.198) 14.325 14.918 ( 7.305 6.266 12.586) 15.844 15.125 ( -10.411 7.619 14.824) 19.652 15.853 ( 11.114 10.934 -24.208) 28.794 16.030 ( -5.945 7.810 -23.107) 25.105 21.611 ( 2.302 -8.230 27.401) 28.703 21.708 ( -7.210 -5.546 24.689) 26.311 22.754 ( 0.683 -2.575 -26.211) 26.346 22.816 ( -5.344 -6.363 -27.860) 29.073 ======================= Grid point 440 (145/180) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.822 ( 0.000 0.982 28.903) 28.919 3.830 ( 0.000 0.166 25.483) 25.484 4.757 ( 0.000 5.714 -11.605) 12.935 4.830 ( 0.000 -1.181 -14.237) 14.286 6.459 ( 0.000 3.173 19.053) 19.316 6.481 ( 0.000 0.478 23.639) 23.644 7.403 ( 0.000 6.961 -20.888) 22.017 7.427 ( 0.000 3.536 -17.726) 18.075 7.694 ( 0.000 18.489 -1.497) 18.550 7.882 ( 0.000 5.109 9.705) 10.968 8.121 ( 0.000 15.377 -12.957) 20.108 8.395 ( 0.000 -12.803 -4.985) 13.739 8.819 ( 0.000 25.659 17.199) 30.890 9.403 ( 0.000 -30.810 16.098) 34.762 9.658 ( 0.000 -0.248 -10.316) 10.319 9.868 ( 0.000 -19.106 3.325) 19.393 10.583 ( 0.000 2.639 13.735) 13.986 10.615 ( 0.000 -1.385 9.664) 9.762 11.213 ( 0.000 4.321 -12.154) 12.899 11.292 ( 0.000 -2.820 -13.334) 13.629 12.419 ( 0.000 8.342 22.728) 24.210 12.575 ( 0.000 -7.071 22.367) 23.458 13.218 ( 0.000 11.567 -5.722) 12.905 13.459 ( 0.000 -10.904 -10.358) 15.039 13.485 ( 0.000 10.511 4.531) 11.446 13.632 ( 0.000 -3.179 5.845) 6.654 14.001 ( 0.000 -1.213 -25.170) 25.200 14.049 ( 0.000 -7.997 -12.382) 14.740 15.322 ( 0.000 14.894 0.255) 14.896 15.632 ( 0.000 -14.969 2.027) 15.105 15.638 ( 0.000 14.840 -14.035) 20.426 15.953 ( 0.000 -15.908 -12.463) 20.209 22.064 ( 0.000 3.410 32.504) 32.682 22.133 ( 0.000 -3.910 29.938) 30.192 23.100 ( 0.000 1.445 -17.821) 17.880 23.137 ( 0.000 -1.650 -20.115) 20.183 ======================= Grid point 441 (146/180) ======================= q-point: ( 0.09 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.825 ( 0.334 0.901 24.567) 24.586 3.857 ( 2.801 -0.254 26.127) 26.278 4.619 ( -9.411 2.540 -7.028) 12.017 4.906 ( 3.526 1.258 -18.550) 18.924 6.331 ( -12.676 5.020 21.972) 25.859 6.443 ( -4.103 2.785 17.658) 18.341 7.263 ( -18.421 9.457 -16.133) 26.250 7.347 ( -6.570 11.138 -17.700) 21.920 7.518 ( -8.413 12.258 6.712) 16.312 7.898 ( -14.498 -17.318 -2.026) 22.676 7.964 ( -1.035 6.163 -4.946) 7.970 8.318 ( -0.872 4.191 -11.047) 11.847 9.027 ( 11.762 18.652 6.543) 23.002 9.238 ( -13.794 -5.293 1.556) 14.856 9.660 ( 19.778 -21.962 19.645) 35.488 10.241 ( 5.267 -4.637 12.139) 14.021 10.619 ( 11.547 -1.988 -6.248) 13.279 10.685 ( 6.044 -1.283 11.007) 12.622 10.937 ( -15.863 0.158 -12.682) 20.310 11.428 ( 4.456 0.241 -11.621) 12.449 12.243 ( -9.821 1.416 20.038) 22.360 12.804 ( 13.800 1.533 22.936) 26.811 13.023 ( -11.771 3.875 -10.470) 16.223 13.395 ( -5.032 2.911 2.375) 6.279 13.559 ( -7.383 -4.973 1.134) 8.974 13.668 ( 5.273 3.672 -0.283) 6.432 13.879 ( 4.241 -2.891 -16.450) 17.232 14.257 ( 6.224 -1.966 -15.286) 16.622 15.263 ( -3.769 6.508 2.963) 8.084 15.507 ( -6.364 -0.041 -2.731) 6.925 15.647 ( -1.306 -1.229 -8.276) 8.468 15.962 ( -1.289 -9.262 -16.918) 19.331 21.917 ( -9.205 -1.297 33.457) 34.724 22.228 ( 3.849 0.978 27.650) 27.934 23.087 ( -1.397 -0.199 -20.409) 20.458 23.118 ( -2.045 -0.839 -18.796) 18.925 ======================= Grid point 442 (147/180) ======================= q-point: ( 0.18 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.843 ( 1.605 2.788 18.769) 19.043 3.943 ( 5.782 -3.260 21.733) 22.725 4.421 ( -9.771 1.302 -1.784) 10.018 4.950 ( 0.863 0.513 -23.542) 23.563 5.996 ( -19.026 10.002 20.565) 29.749 6.253 ( -17.793 10.932 11.250) 23.720 6.790 ( -19.736 5.695 -3.662) 20.865 7.175 ( -13.149 1.821 -23.569) 27.051 7.394 ( -8.759 -5.501 -4.098) 11.125 7.676 ( -1.994 -4.249 10.916) 11.882 7.833 ( -8.356 -4.608 -14.569) 17.416 8.412 ( 7.162 4.443 -12.074) 14.725 9.045 ( 2.669 -0.903 12.089) 12.413 9.358 ( 10.250 15.215 -2.847) 18.564 9.916 ( -4.781 -2.312 16.459) 17.294 10.248 ( 10.299 -10.732 16.300) 22.067 10.497 ( -17.163 3.167 -9.409) 19.828 10.746 ( 1.313 -3.330 18.569) 18.911 11.153 ( 24.267 -3.854 -22.377) 33.234 11.461 ( -0.303 -0.090 -8.824) 8.829 12.080 ( -6.176 1.943 18.561) 19.658 12.806 ( -8.572 4.430 -13.823) 16.858 12.971 ( -1.143 -1.411 12.588) 12.719 13.335 ( -11.285 -6.652 -5.373) 14.159 13.421 ( 7.553 5.107 9.143) 12.912 13.606 ( -7.641 -1.981 14.217) 16.261 14.057 ( 3.063 9.934 -8.995) 13.747 14.250 ( -1.154 -7.094 -11.882) 13.887 15.277 ( 4.715 0.469 6.354) 7.927 15.370 ( -8.165 -3.019 -2.504) 9.058 15.673 ( 4.446 4.833 -13.532) 15.041 15.882 ( -4.862 -6.452 -22.308) 23.725 21.731 ( -9.172 -3.204 34.262) 35.613 22.242 ( -2.826 2.728 24.202) 24.519 23.036 ( -4.003 -3.866 -26.809) 27.380 23.050 ( -4.706 1.232 -15.616) 16.356 ======================= Grid point 443 (148/180) ======================= q-point: ( 0.27 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.896 ( 3.818 5.662 11.152) 13.077 4.081 ( 7.043 -5.627 15.403) 17.847 4.257 ( -5.267 -0.610 1.506) 5.512 4.941 ( -1.910 -0.275 -28.511) 28.577 5.628 ( -16.640 11.737 18.244) 27.340 5.802 ( -21.953 14.140 5.882) 26.767 6.492 ( -14.891 -7.368 -9.399) 19.088 6.796 ( -21.701 -10.061 -23.655) 33.641 7.296 ( 0.740 -2.969 -1.345) 3.342 7.664 ( 1.055 -0.714 -13.588) 13.647 7.856 ( 8.978 -3.137 16.393) 18.952 8.526 ( 2.771 2.797 -8.447) 9.320 9.169 ( 7.524 4.859 8.990) 12.690 9.473 ( 0.738 11.704 -4.146) 12.439 9.634 ( -16.383 -2.344 6.592) 17.814 10.141 ( -16.859 -2.460 -16.175) 23.493 10.562 ( 14.746 4.754 22.084) 26.977 10.814 ( 6.051 -6.128 19.549) 21.362 11.420 ( -0.659 2.200 -7.276) 7.630 11.590 ( 14.890 -1.909 -18.531) 23.848 12.019 ( 1.484 2.594 17.151) 17.410 12.656 ( -7.030 4.099 -13.333) 15.620 12.847 ( -8.975 -6.685 7.514) 13.480 13.116 ( -11.239 -7.678 -5.656) 14.739 13.305 ( -9.438 0.570 16.141) 18.706 13.791 ( 16.786 1.197 13.620) 21.649 13.905 ( -10.873 3.748 -7.435) 13.695 14.272 ( -3.485 -3.366 -2.588) 5.493 15.177 ( -10.798 -2.311 -6.478) 12.803 15.376 ( 3.296 2.507 8.149) 9.141 15.708 ( 0.868 6.759 -24.793) 25.712 15.934 ( 8.995 -4.687 -18.355) 20.972 21.563 ( -7.193 -4.349 34.153) 35.172 22.114 ( -9.677 2.410 22.505) 24.615 22.922 ( -6.774 -2.005 -26.453) 27.380 22.943 ( -6.036 -1.533 -20.337) 21.269 ======================= Grid point 444 (149/180) ======================= q-point: ( 0.36 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.992 ( 5.445 8.616 3.776) 10.870 4.118 ( -1.193 0.741 4.948) 5.144 4.325 ( 9.625 -8.984 3.970) 13.752 4.858 ( -6.451 4.780 -30.505) 31.544 5.378 ( -8.151 2.490 17.345) 19.326 5.476 ( -9.943 10.288 0.818) 14.331 6.150 ( -17.177 -10.145 -18.580) 27.262 6.378 ( -19.508 -14.630 -20.703) 31.988 7.428 ( 11.863 -1.794 3.828) 12.594 7.787 ( 10.507 -0.002 -8.455) 13.487 8.053 ( 9.192 -0.898 17.193) 19.517 8.459 ( -10.515 0.745 1.928) 10.716 9.256 ( -1.875 7.064 0.088) 7.309 9.345 ( -7.591 -1.079 1.763) 7.867 9.479 ( -0.314 8.871 -5.446) 10.414 9.830 ( -13.547 -3.547 -21.099) 25.323 10.806 ( 10.598 11.202 20.872) 25.951 10.982 ( 9.026 -4.375 16.768) 19.539 11.406 ( -0.237 1.824 -1.822) 2.589 11.692 ( -3.827 4.390 -0.499) 5.846 12.206 ( 14.612 1.694 2.176) 14.870 12.512 ( -6.656 -0.725 -1.723) 6.913 12.659 ( -8.729 -9.770 10.804) 16.981 12.902 ( -9.086 -1.543 -3.076) 9.715 13.257 ( 4.249 -7.242 3.180) 8.978 13.717 ( -5.504 1.672 -10.688) 12.137 14.022 ( -6.436 -1.401 1.102) 6.678 14.117 ( -1.822 -1.714 4.339) 5.009 14.966 ( -6.894 -0.044 -0.969) 6.962 15.381 ( -3.376 3.075 11.526) 12.397 15.823 ( 9.505 6.331 -28.034) 30.271 16.095 ( 5.551 -0.865 -19.380) 20.177 21.462 ( -2.453 -4.595 32.671) 33.083 21.880 ( -12.915 0.484 23.374) 26.709 22.791 ( -5.689 -1.176 -27.230) 27.842 22.818 ( -5.972 -2.471 -23.995) 24.850 ======================= Grid point 445 (150/180) ======================= q-point: ( 0.45 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.089 ( 3.451 7.649 -0.721) 8.422 4.116 ( 0.307 3.236 -0.269) 3.262 4.523 ( 9.443 -3.851 -4.744) 11.248 4.703 ( -8.610 6.748 -20.375) 23.125 5.292 ( 0.512 -3.169 9.003) 9.559 5.365 ( -4.328 -1.729 2.237) 5.170 5.919 ( -3.087 -9.601 -21.342) 23.605 6.040 ( -13.206 -13.303 -20.303) 27.633 7.739 ( 18.444 -1.133 7.578) 19.972 8.020 ( 9.363 1.829 1.342) 9.634 8.138 ( -14.143 0.118 8.293) 16.395 8.165 ( -3.632 -2.221 9.715) 10.607 9.177 ( -1.780 3.226 -1.617) 4.024 9.225 ( -5.473 0.940 -0.559) 5.582 9.529 ( 3.850 6.379 -13.656) 15.556 9.627 ( -6.743 0.837 -20.717) 21.803 11.009 ( 9.061 9.216 16.739) 21.148 11.101 ( 1.271 3.296 13.793) 14.238 11.424 ( 2.815 2.400 4.414) 5.759 11.545 ( -8.626 3.189 7.453) 11.837 12.401 ( 1.879 -3.025 11.830) 12.354 12.445 ( -1.754 -1.767 10.116) 10.418 12.588 ( 5.738 -6.677 -2.282) 9.095 12.743 ( -7.503 0.229 -6.472) 9.911 13.430 ( 11.950 -5.752 -1.676) 13.368 13.704 ( -9.520 -1.959 -2.826) 10.122 13.757 ( 1.688 -4.115 -10.724) 11.610 13.998 ( -13.268 -2.551 -11.982) 18.059 15.016 ( 10.127 2.780 13.237) 16.897 15.240 ( -10.185 3.186 14.377) 17.905 16.018 ( 8.586 4.730 -26.155) 27.932 16.130 ( -2.125 2.164 -22.720) 22.922 21.480 ( 4.417 -3.720 29.732) 30.288 21.635 ( -10.674 -1.853 26.179) 28.332 22.713 ( -1.820 -1.470 -27.619) 27.718 22.724 ( -2.895 -2.120 -26.443) 26.686 ======================= Grid point 495 (151/180) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( 0.000 0.000 -22.735) 22.735 3.945 ( 0.000 0.000 22.735) 22.735 4.030 ( 0.000 0.000 -16.214) 16.214 4.030 ( 0.000 0.000 16.214) 16.214 5.770 ( 0.000 0.000 -0.276) 0.276 5.770 ( 0.000 0.000 0.276) 0.276 6.887 ( 0.000 0.000 -4.123) 4.123 6.887 ( 0.000 0.000 4.123) 4.123 7.038 ( 0.000 0.000 -19.888) 19.888 7.038 ( 0.000 0.000 19.888) 19.888 7.426 ( 0.000 0.000 -6.237) 6.237 7.426 ( 0.000 0.000 6.237) 6.237 9.897 ( 0.000 0.000 -39.302) 39.302 9.897 ( 0.000 0.000 39.302) 39.302 10.232 ( 0.000 0.000 -9.219) 9.219 10.232 ( 0.000 0.000 9.219) 9.219 10.741 ( 0.000 0.000 -2.313) 2.313 10.741 ( 0.000 0.000 2.313) 2.313 11.366 ( 0.000 0.000 -0.110) 0.110 11.366 ( 0.000 0.000 0.110) 0.110 12.771 ( 0.000 0.000 -10.846) 10.846 12.771 ( 0.000 0.000 10.846) 10.846 12.905 ( 0.000 0.000 -17.434) 17.434 12.905 ( 0.000 0.000 17.434) 17.434 13.392 ( 0.000 0.000 -1.131) 1.131 13.392 ( 0.000 0.000 1.131) 1.131 14.061 ( 0.000 0.000 -27.731) 27.731 14.061 ( 0.000 0.000 27.731) 27.731 15.092 ( 0.000 0.000 -5.290) 5.290 15.092 ( 0.000 0.000 5.290) 5.290 16.344 ( 0.000 0.000 -8.033) 8.033 16.344 ( 0.000 0.000 8.033) 8.033 22.436 ( 0.000 0.000 -33.262) 33.262 22.436 ( 0.000 0.000 33.262) 33.262 23.061 ( 0.000 0.000 -19.242) 19.242 23.061 ( 0.000 0.000 19.242) 19.242 ======================= Grid point 497 (152/180) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( -4.436 0.000 -2.815) 5.254 3.873 ( -4.436 0.000 2.815) 5.254 4.146 ( 9.013 0.000 -6.663) 11.209 4.146 ( 9.013 0.000 6.663) 11.209 5.450 ( -27.252 0.000 -1.324) 27.284 5.450 ( -27.252 0.000 1.324) 27.284 6.884 ( 0.072 0.000 -5.574) 5.574 6.884 ( 0.072 0.000 5.574) 5.574 7.049 ( 2.106 0.000 -19.773) 19.885 7.049 ( 2.106 0.000 19.773) 19.885 7.650 ( 17.378 0.000 -10.010) 20.055 7.650 ( 17.378 0.000 10.010) 20.055 9.899 ( -0.913 0.000 -32.388) 32.401 9.899 ( -0.913 0.000 32.388) 32.401 10.067 ( -13.493 0.000 -5.850) 14.707 10.067 ( -13.493 0.000 5.850) 14.707 10.799 ( 4.794 0.000 -0.598) 4.831 10.799 ( 4.794 0.000 0.598) 4.831 11.409 ( 2.242 0.000 -0.542) 2.306 11.409 ( 2.242 0.000 0.542) 2.306 12.613 ( -18.246 0.000 -11.263) 21.442 12.613 ( -18.246 0.000 11.263) 21.442 12.804 ( 2.278 0.000 -0.739) 2.395 12.804 ( 2.278 0.000 0.739) 2.395 13.610 ( 13.081 0.000 -10.894) 17.024 13.610 ( 13.081 0.000 10.894) 17.024 14.130 ( 6.803 0.000 -19.006) 20.187 14.130 ( 6.803 0.000 19.006) 20.187 15.035 ( -5.605 0.000 -5.523) 7.868 15.035 ( -5.605 0.000 5.523) 7.868 16.271 ( -7.050 0.000 -8.124) 10.756 16.271 ( -7.050 0.000 8.124) 10.756 22.346 ( -7.344 0.000 -29.879) 30.768 22.346 ( -7.344 0.000 29.879) 30.768 23.121 ( 4.136 0.000 -22.052) 22.437 23.121 ( 4.136 0.000 22.052) 22.437 ======================= Grid point 499 (153/180) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.791 ( -3.662 0.000 -16.153) 16.563 3.791 ( -3.662 0.000 16.153) 16.563 4.356 ( 9.557 0.000 -9.637) 13.572 4.356 ( 9.557 0.000 9.637) 13.572 4.883 ( -23.463 0.000 -6.060) 24.233 4.883 ( -23.463 0.000 6.060) 24.233 6.897 ( 0.986 0.000 -5.311) 5.402 6.897 ( 0.986 0.000 5.311) 5.402 7.138 ( 7.227 0.000 -15.814) 17.387 7.138 ( 7.227 0.000 15.814) 17.387 7.985 ( 14.721 0.000 -13.915) 20.257 7.985 ( 14.721 0.000 13.915) 20.257 9.680 ( -18.493 0.000 -12.665) 22.414 9.680 ( -18.493 0.000 12.665) 22.414 9.923 ( -3.063 0.000 -27.563) 27.732 9.923 ( -3.063 0.000 27.563) 27.732 10.908 ( 5.531 0.000 -7.043) 8.956 10.908 ( 5.531 0.000 7.043) 8.956 11.379 ( -5.607 0.000 -6.931) 8.915 11.379 ( -5.607 0.000 6.931) 8.915 12.309 ( -10.818 0.000 -0.912) 10.856 12.309 ( -10.818 0.000 0.912) 10.856 12.901 ( 6.784 0.000 -1.647) 6.981 12.901 ( 6.784 0.000 1.647) 6.981 13.814 ( 8.048 0.000 -7.114) 10.742 13.814 ( 8.048 0.000 7.114) 10.742 14.295 ( 8.086 0.000 -0.204) 8.089 14.295 ( 8.086 0.000 0.204) 8.089 14.881 ( -9.283 0.000 -6.139) 11.129 14.881 ( -9.283 0.000 6.139) 11.129 16.076 ( -11.967 0.000 -8.715) 14.804 16.076 ( -11.967 0.000 8.715) 14.804 22.204 ( -5.963 0.000 -25.866) 26.545 22.204 ( -5.963 0.000 25.866) 26.545 23.163 ( -0.839 0.000 -24.744) 24.758 23.163 ( -0.839 0.000 24.744) 24.758 ======================= Grid point 501 (154/180) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( -2.965 0.000 -22.940) 23.131 3.725 ( -2.965 0.000 22.940) 23.131 4.221 ( -17.157 0.000 -4.551) 17.750 4.221 ( -17.157 0.000 4.551) 17.750 4.913 ( 21.596 0.000 -21.280) 30.319 4.913 ( 21.596 0.000 21.280) 30.319 6.902 ( -1.243 0.000 -3.745) 3.946 6.902 ( -1.243 0.000 3.745) 3.946 7.358 ( 14.984 0.000 -7.794) 16.889 7.358 ( 14.984 0.000 7.794) 16.889 8.223 ( 9.300 0.000 -14.679) 17.377 8.223 ( 9.300 0.000 14.679) 17.377 9.301 ( -18.575 0.000 -14.897) 23.811 9.301 ( -18.575 0.000 14.897) 23.811 9.795 ( -10.919 0.000 -11.473) 15.838 9.795 ( -10.919 0.000 11.473) 15.838 10.985 ( 1.282 0.000 -14.908) 14.963 10.985 ( 1.282 0.000 14.908) 14.963 11.239 ( -6.424 0.000 -16.552) 17.755 11.239 ( -6.424 0.000 16.552) 17.755 12.190 ( -1.078 0.000 -1.608) 1.936 12.190 ( -1.078 0.000 1.608) 1.936 13.023 ( 3.577 0.000 -2.342) 4.275 13.023 ( 3.577 0.000 2.342) 4.275 13.970 ( 8.049 0.000 -4.401) 9.174 13.970 ( 8.049 0.000 4.401) 9.174 14.419 ( 4.521 0.000 -8.782) 9.878 14.419 ( 4.521 0.000 8.782) 9.878 14.694 ( -8.468 0.000 -6.482) 10.664 14.694 ( -8.468 0.000 6.482) 10.664 15.810 ( -14.335 0.000 -9.947) 17.448 15.810 ( -14.335 0.000 9.947) 17.448 22.130 ( -1.071 0.000 -23.905) 23.929 22.130 ( -1.071 0.000 23.905) 23.929 23.074 ( -7.948 0.000 -25.593) 26.799 23.074 ( -7.948 0.000 25.593) 26.799 ======================= Grid point 503 (155/180) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( -1.174 0.000 -23.606) 23.635 3.679 ( -1.174 0.000 23.606) 23.635 3.942 ( -10.332 0.000 -6.239) 12.069 3.942 ( -10.332 0.000 6.239) 12.069 5.455 ( 30.346 0.000 -19.452) 36.045 5.455 ( 30.346 0.000 19.452) 36.045 6.814 ( -8.310 0.000 -0.533) 8.327 6.814 ( -8.310 0.000 0.533) 8.327 7.733 ( 21.983 0.000 -1.899) 22.065 7.733 ( 21.983 0.000 1.899) 22.065 8.375 ( 6.331 0.000 -11.716) 13.317 8.375 ( 6.331 0.000 11.716) 13.317 8.961 ( -14.825 0.000 -14.110) 20.467 8.961 ( -14.825 0.000 14.110) 20.467 9.473 ( -20.740 0.000 -3.200) 20.985 9.473 ( -20.740 0.000 3.200) 20.985 10.971 ( -1.223 0.000 -23.151) 23.184 10.971 ( -1.223 0.000 23.151) 23.184 11.139 ( -4.590 0.000 -17.597) 18.186 11.139 ( -4.590 0.000 17.597) 18.186 12.262 ( 7.911 0.000 -3.612) 8.696 12.262 ( 7.911 0.000 3.612) 8.696 12.990 ( -7.146 0.000 -2.844) 7.691 12.990 ( -7.146 0.000 2.844) 7.691 14.132 ( 7.570 0.000 -6.625) 10.059 14.132 ( 7.570 0.000 6.625) 10.059 14.489 ( -0.692 0.000 -17.747) 17.761 14.489 ( -0.692 0.000 17.747) 17.761 14.597 ( 3.462 0.000 -5.070) 6.139 14.597 ( 3.462 0.000 5.070) 6.139 15.508 ( -15.857 0.000 -11.107) 19.360 15.508 ( -15.857 0.000 11.107) 19.360 22.169 ( 5.115 0.000 -23.689) 24.235 22.169 ( 5.115 0.000 23.689) 24.235 22.860 ( -12.883 0.000 -25.546) 28.611 22.860 ( -12.883 0.000 25.546) 28.611 ======================= Grid point 505 (156/180) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( 2.736 0.000 -18.467) 18.668 3.694 ( 2.736 0.000 18.467) 18.669 3.784 ( -6.073 0.000 -11.674) 13.159 3.784 ( -6.073 0.000 11.674) 13.159 6.058 ( 28.407 0.000 -15.069) 32.157 6.058 ( 28.407 0.000 15.069) 32.157 6.542 ( -19.180 0.000 -8.012) 20.786 6.542 ( -19.180 0.000 8.012) 20.786 8.192 ( 21.783 0.000 -10.830) 24.327 8.192 ( 21.783 0.000 10.831) 24.327 8.458 ( -1.549 0.000 -8.760) 8.896 8.458 ( -1.549 0.000 8.760) 8.896 8.760 ( -1.180 0.000 -11.601) 11.661 8.760 ( -1.180 0.000 11.601) 11.661 9.019 ( -22.230 0.000 -6.796) 23.246 9.019 ( -22.230 0.000 6.796) 23.246 10.974 ( 1.867 0.000 -22.740) 22.817 10.974 ( 1.867 0.000 22.740) 22.817 11.042 ( -4.598 0.000 -18.837) 19.390 11.042 ( -4.598 0.000 18.837) 19.390 12.483 ( 13.473 0.000 -4.589) 14.233 12.483 ( 13.473 0.000 4.589) 14.233 12.767 ( -13.880 0.000 -3.996) 14.444 12.767 ( -13.880 0.000 3.996) 14.444 14.267 ( 6.286 0.000 -11.446) 13.059 14.267 ( 6.286 0.000 11.446) 13.059 14.392 ( -6.162 0.000 -14.819) 16.049 14.392 ( -6.162 0.000 14.819) 16.049 14.833 ( 16.128 0.000 -9.360) 18.648 14.833 ( 16.128 0.000 9.360) 18.648 15.176 ( -17.297 0.000 -11.217) 20.616 15.176 ( -17.297 0.000 11.217) 20.616 22.332 ( 10.834 0.000 -24.364) 26.664 22.332 ( 10.834 0.000 24.364) 26.664 22.585 ( -13.889 0.000 -25.100) 28.686 22.585 ( -13.889 0.000 25.100) 28.686 ======================= Grid point 517 (157/180) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( 0.000 8.266 -23.058) 24.495 4.036 ( 0.000 8.266 23.058) 24.495 4.069 ( 0.000 3.664 -16.745) 17.141 4.069 ( 0.000 3.664 16.745) 17.141 5.907 ( 0.000 13.117 -6.007) 14.427 5.907 ( 0.000 13.117 6.007) 14.427 6.922 ( 0.000 2.335 -5.990) 6.429 6.922 ( 0.000 2.335 5.990) 6.429 7.079 ( 0.000 4.062 -19.350) 19.771 7.079 ( 0.000 4.062 19.350) 19.771 7.444 ( 0.000 3.454 -13.341) 13.781 7.444 ( 0.000 3.454 13.341) 13.781 9.766 ( 0.000 -9.764 -31.816) 33.281 9.766 ( 0.000 -9.764 31.816) 33.281 10.399 ( 0.000 12.368 -18.730) 22.445 10.399 ( 0.000 12.368 18.730) 22.445 10.757 ( 0.000 1.314 -5.721) 5.870 10.757 ( 0.000 1.314 5.721) 5.870 11.238 ( 0.000 -12.201 -4.112) 12.875 11.238 ( 0.000 -12.201 4.112) 12.875 12.648 ( 0.000 -5.497 -17.375) 18.224 12.648 ( 0.000 -5.497 17.375) 18.224 13.094 ( 0.000 12.066 -20.228) 23.553 13.094 ( 0.000 12.066 20.228) 23.553 13.342 ( 0.000 -4.332 -11.508) 12.297 13.342 ( 0.000 -4.332 11.508) 12.297 14.123 ( 0.000 5.068 -28.232) 28.683 14.123 ( 0.000 5.068 28.232) 28.683 15.048 ( 0.000 -3.737 -6.133) 7.182 15.048 ( 0.000 -3.737 6.133) 7.182 16.317 ( 0.000 -2.761 -8.456) 8.895 16.317 ( 0.000 -2.761 8.456) 8.895 22.472 ( 0.000 3.323 -32.605) 32.774 22.472 ( 0.000 3.323 32.605) 32.774 22.997 ( 0.000 -5.956 -18.949) 19.863 22.997 ( 0.000 -5.956 18.949) 19.863 ======================= Grid point 519 (158/180) ======================= q-point: ( 0.09 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.949 ( -4.678 6.646 -7.597) 11.125 3.949 ( -4.678 6.646 7.597) 11.125 4.199 ( 9.051 4.989 -10.312) 14.599 4.199 ( 9.051 4.989 10.312) 14.599 5.577 ( -27.944 12.231 -4.367) 30.815 5.577 ( -27.944 12.231 4.367) 30.815 6.893 ( -1.496 0.607 -5.350) 5.588 6.893 ( -1.496 0.607 5.350) 5.588 7.121 ( 3.778 6.773 -15.696) 17.508 7.121 ( 3.778 6.773 15.696) 17.508 7.665 ( 17.164 2.667 -13.250) 21.847 7.665 ( 17.164 2.667 13.250) 21.847 9.705 ( -6.606 -12.451 -28.093) 31.431 9.705 ( -6.606 -12.451 28.093) 31.431 10.260 ( -10.321 11.453 -20.127) 25.353 10.260 ( -10.321 11.453 20.127) 25.353 10.822 ( 4.994 2.153 -5.745) 7.911 10.822 ( 4.994 2.153 5.745) 7.911 11.308 ( 4.627 -9.499 -4.886) 11.641 11.308 ( 4.627 -9.499 4.886) 11.641 12.565 ( -10.826 -2.923 -14.462) 18.300 12.565 ( -10.826 -2.923 14.462) 18.300 12.884 ( -4.982 6.320 -2.992) 8.586 12.884 ( -4.982 6.320 2.992) 8.586 13.616 ( 14.799 0.255 -7.395) 16.546 13.616 ( 14.799 0.255 7.395) 16.546 14.132 ( 0.705 0.053 -20.609) 20.621 14.132 ( 0.705 0.053 20.609) 20.621 15.035 ( -1.074 0.261 -6.819) 6.908 15.035 ( -1.074 0.261 6.819) 6.908 16.236 ( -7.896 -3.539 -8.510) 12.136 16.236 ( -7.896 -3.539 8.510) 12.136 22.382 ( -7.285 3.343 -28.412) 29.521 22.382 ( -7.285 3.343 28.412) 29.521 23.055 ( 4.000 -6.048 -21.092) 22.303 23.055 ( 4.000 -6.048 21.092) 22.303 ======================= Grid point 521 (159/180) ======================= q-point: ( 0.18 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( -4.220 6.053 -17.155) 18.675 3.860 ( -4.220 6.053 17.155) 18.675 4.411 ( 10.221 4.638 -11.872) 16.338 4.411 ( 10.221 4.638 11.872) 16.338 4.991 ( -25.330 10.770 -5.437) 28.056 4.991 ( -25.330 10.770 5.437) 28.056 6.885 ( 0.691 -0.779 -4.497) 4.615 6.885 ( 0.691 -0.779 4.497) 4.615 7.226 ( 6.969 7.873 -11.206) 15.367 7.226 ( 6.969 7.873 11.206) 15.367 7.990 ( 13.937 1.247 -14.689) 20.287 7.990 ( 13.937 1.247 14.689) 20.287 9.492 ( -14.054 -13.278 -21.091) 28.612 9.492 ( -14.054 -13.278 21.091) 28.612 10.068 ( -8.951 8.562 -18.287) 22.088 10.068 ( -8.951 8.562 18.287) 22.088 10.924 ( 4.508 1.328 -10.238) 11.265 10.924 ( 4.508 1.328 10.238) 11.265 11.334 ( -2.757 -4.096 -9.184) 10.427 11.334 ( -2.757 -4.096 9.184) 10.427 12.323 ( -9.411 1.141 -7.490) 12.081 12.323 ( -9.411 1.141 7.490) 12.081 12.935 ( 6.656 3.886 -3.351) 8.404 12.935 ( 6.656 3.886 3.351) 8.404 13.841 ( 8.148 1.903 -9.491) 12.653 13.841 ( 8.148 1.903 9.491) 12.653 14.138 ( -0.445 -12.126 -5.576) 13.354 14.138 ( -0.445 -12.126 5.576) 13.354 15.011 ( -1.470 9.920 -8.637) 13.235 15.011 ( -1.470 9.920 8.637) 13.235 16.022 ( -12.789 -5.244 -9.217) 16.613 16.022 ( -12.789 -5.244 9.217) 16.613 22.239 ( -6.181 3.315 -24.113) 25.112 22.239 ( -6.181 3.315 24.113) 25.112 23.094 ( -1.008 -6.482 -23.652) 24.545 23.094 ( -1.008 -6.482 23.652) 24.545 ======================= Grid point 523 (160/180) ======================= q-point: ( 0.27 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.781 ( -3.620 5.043 -22.435) 23.278 3.781 ( -3.620 5.043 22.435) 23.278 4.303 ( -17.753 7.652 -6.693) 20.458 4.303 ( -17.753 7.652 6.693) 20.458 4.956 ( 19.669 3.959 -19.335) 27.864 4.956 ( 19.669 3.959 19.335) 27.864 6.899 ( -0.428 -0.472 -1.949) 2.051 6.899 ( -0.428 -0.472 1.949) 2.051 7.419 ( 12.787 5.596 -4.554) 14.682 7.419 ( 12.787 5.596 4.554) 14.682 8.208 ( 8.060 -1.095 -13.390) 15.667 8.208 ( 8.060 -1.095 13.390) 15.667 9.187 ( -15.291 -8.946 -16.963) 24.527 9.187 ( -15.291 -8.946 16.963) 24.527 9.858 ( -13.257 4.269 -5.128) 14.842 9.858 ( -13.257 4.269 5.128) 14.842 10.971 ( -0.241 -1.289 -16.401) 16.453 10.971 ( -0.241 -1.289 16.401) 16.453 11.242 ( -4.721 0.633 -16.536) 17.208 11.242 ( -4.721 0.633 16.536) 17.208 12.233 ( 0.120 3.368 -6.926) 7.703 12.233 ( 0.120 3.368 6.926) 7.703 13.053 ( 2.995 3.306 -4.146) 6.091 13.053 ( 2.995 3.306 4.146) 6.091 13.984 ( 7.002 0.049 -7.517) 10.273 13.984 ( 7.002 0.049 7.517) 10.273 14.128 ( 0.568 -17.234 -6.826) 18.545 14.128 ( 0.568 -17.233 6.826) 18.545 14.960 ( -3.961 15.863 -9.983) 19.157 14.960 ( -3.961 15.863 9.983) 19.157 15.754 ( -13.411 -5.223 -11.297) 18.297 15.754 ( -13.411 -5.223 11.297) 18.297 22.155 ( -1.905 2.345 -22.385) 22.588 22.155 ( -1.905 2.345 22.385) 22.588 23.003 ( -7.857 -6.652 -24.690) 26.751 23.003 ( -7.857 -6.652 24.690) 26.751 ======================= Grid point 525 (161/180) ======================= q-point: ( 0.36 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( -1.684 4.181 -22.872) 23.312 3.723 ( -1.684 4.181 22.872) 23.312 4.002 ( -11.503 5.771 -9.050) 15.733 4.002 ( -11.503 5.771 9.050) 15.733 5.466 ( 28.903 0.384 -18.056) 34.081 5.466 ( 28.903 0.384 18.056) 34.081 6.820 ( -8.517 -0.173 -2.095) 8.773 6.820 ( -8.517 -0.173 2.095) 8.773 7.744 ( 19.267 0.815 -3.995) 19.694 7.744 ( 19.267 0.815 3.995) 19.694 8.332 ( 4.669 -3.841 -10.213) 11.868 8.332 ( 4.669 -3.841 10.213) 11.868 8.916 ( -10.996 -2.648 -14.100) 18.076 8.916 ( -10.996 -2.648 14.100) 18.076 9.516 ( -20.625 3.058 -7.694) 22.225 9.516 ( -20.625 3.058 7.694) 22.225 10.946 ( -0.820 -1.719 -21.871) 21.953 10.946 ( -0.820 -1.719 21.871) 21.953 11.155 ( -4.675 1.920 -16.828) 17.571 11.155 ( -4.675 1.920 16.828) 17.571 12.313 ( 7.621 4.128 -7.003) 11.143 12.313 ( 7.621 4.128 7.004) 11.143 13.006 ( -7.595 1.532 -4.149) 8.789 13.006 ( -7.595 1.532 4.149) 8.789 14.103 ( 4.409 -9.326 -6.987) 12.459 14.103 ( 4.409 -9.326 6.987) 12.459 14.209 ( 6.696 -7.874 -12.596) 16.294 14.209 ( 6.696 -7.874 12.596) 16.294 14.880 ( -2.158 13.872 -10.891) 17.768 14.880 ( -2.158 13.872 10.891) 17.768 15.491 ( -13.171 -0.955 -13.872) 19.152 15.491 ( -13.171 -0.955 13.872) 19.152 22.172 ( 3.809 0.275 -22.535) 22.857 22.172 ( 3.809 0.275 22.535) 22.857 22.795 ( -12.358 -6.125 -24.798) 28.376 22.795 ( -12.358 -6.125 24.798) 28.376 ======================= Grid point 527 (162/180) ======================= q-point: ( 0.45 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( 2.654 3.695 -17.886) 18.455 3.731 ( 2.654 3.695 17.886) 18.455 3.826 ( -6.635 4.143 -12.107) 14.414 3.826 ( -6.635 4.143 12.107) 14.414 6.048 ( 27.952 -1.779 -14.430) 31.507 6.048 ( 27.952 -1.779 14.430) 31.507 6.536 ( -19.837 -1.535 -8.653) 21.697 6.536 ( -19.837 -1.535 8.653) 21.697 8.139 ( 18.097 -4.700 -8.258) 20.440 8.139 ( 18.097 -4.700 8.258) 20.440 8.368 ( -3.422 -7.077 -9.618) 12.422 8.368 ( -3.422 -7.077 9.618) 12.422 8.810 ( 3.292 4.748 -8.788) 10.517 8.810 ( 3.292 4.748 8.788) 10.517 9.080 ( -20.783 4.948 -8.913) 23.148 9.080 ( -20.783 4.948 8.913) 23.148 10.965 ( 2.800 -0.235 -20.782) 20.971 10.965 ( 2.800 -0.235 20.782) 20.971 11.051 ( -5.310 1.296 -17.588) 18.418 11.051 ( -5.310 1.296 17.588) 18.418 12.521 ( 12.549 3.013 -6.857) 14.614 12.521 ( 12.549 3.013 6.857) 14.614 12.786 ( -13.162 1.611 -5.526) 14.365 12.786 ( -13.162 1.611 5.526) 14.365 14.194 ( 4.857 -9.249 -9.080) 13.841 14.194 ( 4.857 -9.249 9.080) 13.841 14.272 ( -1.549 -7.391 -10.560) 12.983 14.272 ( -1.549 -7.391 10.560) 12.983 14.957 ( 10.134 9.340 -13.760) 19.475 14.957 ( 10.134 9.340 13.760) 19.475 15.217 ( -14.152 4.505 -15.136) 21.206 15.217 ( -14.152 4.505 15.136) 21.206 22.307 ( 9.468 -2.333 -23.502) 25.445 22.307 ( 9.468 -2.333 23.502) 25.445 22.536 ( -12.861 -4.656 -24.375) 27.950 22.536 ( -12.861 -4.656 24.375) 27.950 ======================= Grid point 539 (163/180) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.165 ( 0.000 5.495 -18.642) 19.435 4.165 ( 0.000 5.495 18.642) 19.435 4.226 ( 0.000 9.150 -24.132) 25.808 4.226 ( 0.000 9.150 24.132) 25.808 6.262 ( 0.000 20.712 -12.794) 24.344 6.262 ( 0.000 20.712 12.794) 24.344 6.943 ( 0.000 0.113 -14.262) 14.263 6.943 ( 0.000 0.113 14.262) 14.263 7.205 ( 0.000 8.682 -17.569) 19.597 7.205 ( 0.000 8.682 17.569) 19.597 7.631 ( 0.000 15.074 -17.799) 23.325 7.631 ( 0.000 15.074 17.799) 23.325 9.547 ( 0.000 -11.837 -29.081) 31.398 9.547 ( 0.000 -11.837 29.081) 31.398 10.642 ( 0.000 10.829 -19.180) 22.026 10.642 ( 0.000 10.829 19.180) 22.026 10.738 ( 0.000 -9.109 -9.210) 12.954 10.738 ( 0.000 -9.109 9.210) 12.954 10.945 ( 0.000 -10.455 -17.043) 19.995 10.945 ( 0.000 -10.455 17.043) 19.995 12.611 ( 0.000 2.054 -19.032) 19.142 12.611 ( 0.000 2.054 19.032) 19.142 13.242 ( 0.000 -5.154 -16.894) 17.663 13.242 ( 0.000 -5.154 16.894) 17.663 13.323 ( 0.000 10.084 -20.588) 22.925 13.323 ( 0.000 10.084 20.588) 22.925 14.194 ( 0.000 -0.076 -25.012) 25.013 14.194 ( 0.000 -0.076 25.012) 25.013 14.997 ( 0.000 0.647 -7.115) 7.144 14.997 ( 0.000 0.647 7.115) 7.144 16.222 ( 0.000 -6.947 -9.045) 11.405 16.222 ( 0.000 -6.947 9.045) 11.405 22.554 ( 0.000 4.314 -30.900) 31.200 22.554 ( 0.000 4.314 30.900) 31.200 22.853 ( 0.000 -7.365 -19.144) 20.511 22.853 ( 0.000 -7.365 19.144) 20.511 ======================= Grid point 541 (164/180) ======================= q-point: ( 0.09 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.096 ( -4.612 7.146 -14.057) 16.430 4.096 ( -4.612 7.146 14.057) 16.430 4.322 ( 7.321 6.136 -17.239) 19.709 4.322 ( 7.321 6.136 17.239) 19.709 5.921 ( -28.440 21.151 -7.696) 36.269 5.921 ( -28.440 21.151 7.696) 36.269 6.900 ( -2.501 0.166 -7.787) 8.180 6.900 ( -2.501 0.166 7.787) 8.180 7.295 ( 5.993 9.760 -12.257) 16.775 7.295 ( 5.993 9.760 12.257) 16.775 7.809 ( 14.005 11.859 -15.279) 23.880 7.809 ( 14.005 11.859 15.279) 23.880 9.437 ( -9.757 -14.054 -26.377) 31.440 9.437 ( -9.757 -14.054 26.377) 31.440 10.448 ( -12.287 6.573 -17.205) 22.140 10.448 ( -12.287 6.573 17.205) 22.140 10.842 ( 5.667 -3.800 -9.766) 11.913 10.842 ( 5.667 -3.800 9.766) 11.913 11.084 ( 9.839 -8.745 -14.232) 19.386 11.084 ( 9.839 -8.745 14.232) 19.386 12.540 ( -8.260 0.893 -17.184) 19.087 12.540 ( -8.260 0.893 17.184) 19.087 13.030 ( -4.691 7.957 -7.001) 11.590 13.030 ( -4.691 7.957 7.001) 11.590 13.599 ( 12.973 -2.412 -4.764) 14.029 13.599 ( 12.973 -2.412 4.764) 14.029 14.125 ( -6.562 -1.082 -21.394) 22.404 14.125 ( -6.562 -1.082 21.394) 22.404 15.062 ( 6.057 2.843 -7.312) 9.911 15.062 ( 6.057 2.843 7.312) 9.911 16.126 ( -9.304 -7.389 -9.014) 14.914 16.126 ( -9.304 -7.389 9.014) 14.914 22.465 ( -7.039 4.293 -23.408) 24.818 22.465 ( -7.039 4.293 23.408) 24.818 22.907 ( 3.317 -7.685 -17.297) 19.216 22.907 ( 3.317 -7.685 17.297) 19.216 ======================= Grid point 543 (165/180) ======================= q-point: ( 0.18 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.998 ( -4.991 6.999 -17.750) 19.722 3.998 ( -4.991 6.999 17.750) 19.722 4.495 ( 8.731 2.469 -15.832) 18.248 4.495 ( 8.731 2.469 15.832) 18.248 5.318 ( -27.805 21.394 -5.510) 35.513 5.318 ( -27.805 21.394 5.510) 35.513 6.870 ( -0.313 -0.756 -7.798) 7.840 6.870 ( -0.313 -0.756 7.798) 7.840 7.414 ( 5.908 9.444 -8.163) 13.811 7.414 ( 5.908 9.444 8.163) 13.811 8.060 ( 9.647 5.351 -11.380) 15.849 8.060 ( 9.647 5.351 11.380) 15.849 9.219 ( -10.677 -12.432 -20.196) 26.009 9.219 ( -10.677 -12.432 20.196) 26.009 10.198 ( -12.864 4.279 -10.988) 17.451 10.198 ( -12.864 4.279 10.988) 17.451 10.933 ( 2.764 -1.519 -15.007) 15.335 10.933 ( 2.764 -1.519 15.007) 15.335 11.237 ( 4.604 -4.611 -14.536) 15.930 11.237 ( 4.604 -4.611 14.536) 15.930 12.346 ( -7.806 1.305 -13.664) 15.791 12.346 ( -7.806 1.305 13.664) 15.791 13.077 ( 6.356 10.004 -7.201) 13.869 13.077 ( 6.356 10.004 7.201) 13.869 13.772 ( 2.467 -11.337 -6.732) 13.414 13.772 ( 2.467 -11.337 6.732) 13.414 13.990 ( -3.261 0.756 -11.350) 11.833 13.990 ( -3.261 0.756 11.350) 11.833 15.200 ( 6.134 7.859 -8.277) 12.958 15.200 ( 6.134 7.859 8.277) 12.958 15.877 ( -14.406 -8.638 -10.156) 19.629 15.877 ( -14.406 -8.638 10.156) 19.629 22.322 ( -6.638 4.389 -18.429) 20.073 22.322 ( -6.638 4.389 18.429) 20.073 22.928 ( -1.798 -8.960 -18.953) 21.041 22.928 ( -1.798 -8.960 18.953) 21.041 ======================= Grid point 545 (166/180) ======================= q-point: ( 0.27 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( -4.269 6.639 -20.165) 21.655 3.904 ( -4.269 6.639 20.165) 21.655 4.481 ( -14.101 7.727 -8.800) 18.330 4.481 ( -14.101 7.727 8.800) 18.330 5.075 ( 8.612 8.936 -11.885) 17.184 5.075 ( 8.612 8.936 11.885) 17.184 6.870 ( -1.039 -2.835 -5.140) 5.962 6.870 ( -1.039 -2.835 5.140) 5.962 7.539 ( 7.191 4.391 -5.603) 10.118 7.539 ( 7.191 4.391 5.603) 10.118 8.191 ( 4.259 -0.639 -7.209) 8.397 8.191 ( 4.259 -0.639 7.209) 8.397 9.039 ( -7.171 -3.209 -11.499) 13.927 9.039 ( -7.171 -3.209 11.499) 13.927 9.916 ( -15.807 1.175 -5.047) 16.635 9.916 ( -15.807 1.175 5.047) 16.635 10.945 ( -0.979 -0.779 -19.197) 19.238 10.945 ( -0.979 -0.779 19.197) 19.238 11.272 ( -0.575 1.956 -16.416) 16.542 11.272 ( -0.575 1.956 16.416) 16.542 12.287 ( 1.562 1.487 -12.350) 12.537 12.287 ( 1.562 1.487 12.350) 12.537 13.163 ( -0.366 6.982 -5.550) 8.927 13.163 ( -0.366 6.982 5.550) 8.927 13.725 ( -1.664 -16.992 -4.632) 17.691 13.725 ( -1.664 -16.992 4.632) 17.691 14.066 ( 7.573 3.071 -11.355) 13.990 14.066 ( 7.573 3.071 11.355) 13.990 15.224 ( -5.382 9.167 -7.059) 12.761 15.224 ( -5.382 9.167 7.059) 12.761 15.630 ( -8.141 -5.801 -15.987) 18.855 15.630 ( -8.141 -5.801 15.987) 18.855 22.213 ( -3.925 3.050 -17.311) 18.011 22.213 ( -3.925 3.050 17.311) 18.011 22.829 ( -7.872 -9.736 -20.427) 23.959 22.829 ( -7.872 -9.736 20.427) 23.959 ======================= Grid point 547 (167/180) ======================= q-point: ( 0.36 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.837 ( -1.977 6.852 -20.341) 21.555 3.837 ( -1.977 6.852 20.341) 21.555 4.166 ( -13.850 10.002 -12.556) 21.202 4.166 ( -13.850 10.002 12.556) 21.202 5.439 ( 23.552 -3.319 -14.557) 27.886 5.439 ( 23.552 -3.319 14.557) 27.886 6.760 ( -11.146 -7.117 -5.925) 14.491 6.760 ( -11.146 -7.117 5.925) 14.491 7.736 ( 12.987 -2.609 -7.747) 15.346 7.736 ( 12.987 -2.609 7.747) 15.346 8.262 ( 2.810 -1.445 -11.366) 11.797 8.262 ( 2.810 -1.445 11.366) 11.797 8.931 ( -3.452 5.088 -8.809) 10.742 8.931 ( -3.452 5.088 8.809) 10.742 9.561 ( -19.286 1.081 -12.212) 22.853 9.561 ( -19.286 1.081 12.212) 22.853 10.937 ( 1.101 1.663 -20.685) 20.781 10.937 ( 1.101 1.663 20.685) 20.781 11.226 ( -4.034 4.970 -15.794) 17.041 11.226 ( -4.034 4.970 15.794) 17.041 12.381 ( 7.346 1.762 -10.489) 12.927 12.381 ( 7.346 1.762 10.489) 12.927 13.044 ( -10.033 1.585 -5.489) 11.545 13.044 ( -10.033 1.585 5.489) 11.545 13.778 ( 5.945 -16.674 -7.646) 19.283 13.778 ( 5.945 -16.674 7.646) 19.283 14.193 ( 2.550 0.123 -8.211) 8.598 14.193 ( 2.550 0.123 8.211) 8.598 15.079 ( -4.128 5.816 -12.853) 14.699 15.079 ( -4.128 5.816 12.853) 14.699 15.518 ( -5.599 4.285 -20.439) 21.621 15.518 ( -5.599 4.285 20.439) 21.621 22.177 ( 0.579 0.059 -18.200) 18.210 22.177 ( 0.579 0.059 18.200) 18.210 22.633 ( -11.157 -9.273 -21.001) 25.525 22.633 ( -11.157 -9.273 21.001) 25.525 ======================= Grid point 549 (168/180) ======================= q-point: ( 0.45 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.843 ( 2.773 7.272 -16.813) 18.527 3.843 ( 2.773 7.272 16.813) 18.527 3.950 ( -7.950 8.173 -13.632) 17.772 3.950 ( -7.950 8.173 13.632) 17.772 5.943 ( 25.733 -9.302 -12.730) 30.179 5.943 ( 25.733 -9.302 12.730) 30.179 6.426 ( -21.425 -10.612 -9.834) 25.853 6.426 ( -21.425 -10.612 9.834) 25.853 8.031 ( 14.834 -5.304 -5.544) 16.701 8.031 ( 14.834 -5.304 5.544) 16.701 8.251 ( -5.637 -3.279 -9.122) 11.214 8.251 ( -5.637 -3.279 9.122) 11.214 8.943 ( 6.120 8.142 -5.913) 11.777 8.943 ( 6.120 8.142 5.913) 11.777 9.184 ( -16.916 4.995 -10.623) 20.590 9.184 ( -16.916 4.995 10.623) 20.590 11.000 ( 4.942 4.332 -18.515) 19.646 11.000 ( 4.942 4.332 18.515) 19.646 11.118 ( -6.256 5.664 -16.155) 18.227 11.118 ( -6.256 5.664 16.155) 18.227 12.570 ( 11.226 1.130 -8.617) 14.197 12.570 ( 11.226 1.130 8.617) 14.197 12.812 ( -12.446 0.343 -6.453) 14.024 12.812 ( -12.446 0.343 6.453) 14.024 13.931 ( 9.061 -14.493 -7.707) 18.750 13.931 ( 9.061 -14.493 7.707) 18.750 14.119 ( -8.482 -8.892 -6.661) 13.977 14.119 ( -8.482 -8.892 6.661) 13.977 15.148 ( 9.436 9.355 -21.278) 25.086 15.148 ( 9.436 9.355 21.278) 25.086 15.360 ( -10.113 8.960 -22.171) 25.964 15.360 ( -10.113 8.960 22.171) 25.964 22.243 ( 6.046 -3.781 -19.680) 20.932 22.243 ( 6.046 -3.781 19.680) 20.932 22.411 ( -10.304 -7.216 -20.745) 24.261 22.411 ( -10.304 -7.216 20.745) 24.261 ======================= Grid point 561 (169/180) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.276 ( 0.000 5.115 -21.763) 22.356 4.276 ( 0.000 5.115 21.763) 22.356 4.366 ( 0.000 4.286 -25.618) 25.974 4.366 ( 0.000 4.286 25.618) 25.975 6.669 ( 0.000 17.495 -20.274) 26.779 6.669 ( 0.000 17.495 20.275) 26.779 6.957 ( 0.000 1.438 -20.959) 21.009 6.957 ( 0.000 1.438 20.959) 21.009 7.448 ( 0.000 15.937 -14.420) 21.493 7.448 ( 0.000 15.937 14.420) 21.493 7.985 ( 0.000 17.061 -18.175) 24.928 7.985 ( 0.000 17.061 18.175) 24.928 9.309 ( 0.000 -10.077 -29.320) 31.004 9.309 ( 0.000 -10.077 29.320) 31.004 10.303 ( 0.000 -27.515 -10.649) 29.503 10.303 ( 0.000 -27.515 10.649) 29.503 10.820 ( 0.000 6.733 -16.386) 17.715 10.820 ( 0.000 6.733 16.386) 17.715 10.920 ( 0.000 1.983 -20.630) 20.725 10.920 ( 0.000 1.983 20.630) 20.725 12.723 ( 0.000 8.323 -20.662) 22.276 12.723 ( 0.000 8.323 20.662) 22.276 13.143 ( 0.000 -4.661 -20.537) 21.059 13.143 ( 0.000 -4.661 20.537) 21.059 13.494 ( 0.000 7.065 -17.500) 18.873 13.494 ( 0.000 7.065 17.500) 18.873 14.082 ( 0.000 -10.250 -15.891) 18.910 14.082 ( 0.000 -10.250 15.891) 18.910 15.121 ( 0.000 11.230 -7.452) 13.477 15.121 ( 0.000 11.230 7.452) 13.477 16.029 ( 0.000 -12.208 -8.842) 15.074 16.029 ( 0.000 -12.208 8.842) 15.074 22.629 ( 0.000 2.799 -28.654) 28.790 22.629 ( 0.000 2.799 28.654) 28.790 22.730 ( 0.000 -4.337 -20.902) 21.347 22.730 ( 0.000 -4.337 20.902) 21.347 ======================= Grid point 563 (170/180) ======================= q-point: ( 0.09 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.226 ( -4.119 5.637 -17.575) 18.911 4.226 ( -4.119 5.637 17.575) 18.911 4.408 ( 3.501 2.016 -21.787) 22.158 4.408 ( 3.501 2.016 21.787) 22.158 6.388 ( -24.838 23.536 -9.551) 35.526 6.388 ( -24.838 23.536 9.551) 35.526 6.909 ( -3.251 0.699 -8.274) 8.917 6.909 ( -3.251 0.699 8.274) 8.917 7.501 ( 3.880 10.673 -13.532) 17.666 7.501 ( 3.880 10.673 13.532) 17.666 8.075 ( 5.454 10.616 -12.871) 17.554 8.075 ( 5.454 10.616 12.871) 17.554 9.175 ( -8.669 -9.327 -22.138) 25.539 9.175 ( -8.669 -9.327 22.138) 25.539 10.457 ( 5.766 -11.932 -20.465) 24.380 10.457 ( 5.766 -11.932 20.465) 24.380 10.645 ( -4.575 -4.669 -8.396) 10.641 10.645 ( -4.575 -4.669 8.396) 10.641 11.060 ( 6.944 2.397 -18.966) 20.339 11.060 ( 6.944 2.397 18.966) 20.339 12.596 ( -10.595 4.060 -18.494) 21.697 12.596 ( -10.595 4.060 18.494) 21.697 13.196 ( 4.397 7.696 -17.449) 19.571 13.196 ( 4.397 7.696 17.449) 19.571 13.524 ( 2.682 -3.963 -9.629) 10.752 13.524 ( 2.682 -3.963 9.629) 10.752 14.075 ( -1.700 -4.041 -16.303) 16.882 14.075 ( -1.700 -4.041 16.303) 16.882 15.168 ( 5.221 7.907 -5.898) 11.160 15.168 ( 5.221 7.907 5.898) 11.160 15.937 ( -9.021 -11.280 -9.068) 17.054 15.937 ( -9.021 -11.280 9.068) 17.054 22.533 ( -6.790 2.045 -15.924) 17.432 22.533 ( -6.790 2.045 15.924) 17.432 22.781 ( 2.096 -4.149 -7.299) 8.653 22.781 ( 2.096 -4.149 7.299) 8.653 ======================= Grid point 565 (171/180) ======================= q-point: ( 0.18 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( -4.962 6.174 -17.055) 18.805 4.131 ( -4.962 6.174 17.055) 18.805 4.489 ( 4.134 -2.808 -19.688) 20.312 4.489 ( 4.134 -2.808 19.688) 20.313 5.826 ( -28.243 27.823 -6.531) 40.180 5.826 ( -28.243 27.823 6.531) 40.181 6.848 ( -2.925 -1.838 -9.753) 10.347 6.848 ( -2.925 -1.838 9.753) 10.347 7.545 ( -0.599 1.743 -9.980) 10.148 7.545 ( -0.599 1.743 9.980) 10.148 8.129 ( 1.363 -0.668 -5.240) 5.455 8.129 ( 1.363 -0.668 5.240) 5.455 9.091 ( 0.246 2.263 -6.889) 7.256 9.091 ( 0.246 2.263 6.889) 7.256 10.252 ( -16.183 1.245 -12.213) 20.312 10.252 ( -16.183 1.245 12.213) 20.312 10.826 ( 10.664 -8.671 -19.041) 23.484 10.826 ( 10.664 -8.671 19.041) 23.484 11.178 ( 5.572 -1.277 -17.778) 18.674 11.178 ( 5.572 -1.277 17.778) 18.674 12.390 ( -8.194 3.316 -16.613) 18.818 12.390 ( -8.194 3.316 16.613) 18.818 13.258 ( 0.438 2.454 -11.934) 12.192 13.258 ( 0.438 2.454 11.934) 12.192 13.581 ( 1.386 -1.111 -11.289) 11.428 13.581 ( 1.386 -1.111 11.289) 11.428 14.026 ( -0.534 0.604 -14.602) 14.624 14.026 ( -0.534 0.604 14.602) 14.624 15.320 ( 8.123 4.365 -5.127) 10.551 15.320 ( 8.123 4.365 5.127) 10.551 15.694 ( -13.768 -9.065 -10.872) 19.747 15.694 ( -13.768 -9.065 10.872) 19.747 22.392 ( -7.115 1.943 -14.448) 16.222 22.392 ( -7.115 1.943 14.448) 16.222 22.772 ( -3.267 -5.629 -6.323) 9.074 22.772 ( -3.267 -5.629 6.323) 9.074 ======================= Grid point 567 (172/180) ======================= q-point: ( 0.27 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.042 ( -3.700 7.048 -16.703) 18.503 4.042 ( -3.700 7.048 16.703) 18.503 4.526 ( -2.540 -3.517 -13.448) 14.131 4.526 ( -2.540 -3.517 13.448) 14.131 5.381 ( -12.740 21.588 -2.293) 25.171 5.381 ( -12.740 21.588 2.293) 25.171 6.754 ( -8.070 -9.815 -8.142) 15.091 6.754 ( -8.070 -9.815 8.142) 15.091 7.514 ( 0.492 -6.926 -9.515) 11.779 7.514 ( 0.492 -6.926 9.515) 11.779 8.198 ( 5.428 1.918 -13.915) 15.059 8.198 ( 5.428 1.918 13.915) 15.059 9.119 ( 1.017 10.246 -2.240) 10.537 9.119 ( 1.017 10.246 2.240) 10.537 9.907 ( -17.877 -1.995 -11.076) 21.124 9.907 ( -17.877 -1.995 11.076) 21.124 10.959 ( 3.658 2.463 -21.624) 22.069 10.959 ( 3.658 2.463 21.624) 22.069 11.290 ( 4.768 -0.932 -16.707) 17.399 11.290 ( 4.768 -0.932 16.707) 17.399 12.308 ( 0.254 1.638 -14.812) 14.905 12.308 ( 0.254 1.638 14.812) 14.905 13.196 ( -6.594 -8.635 -6.646) 12.736 13.196 ( -6.594 -8.635 6.646) 12.736 13.534 ( -3.934 2.396 -12.155) 12.998 13.534 ( -3.934 2.396 12.155) 12.998 14.121 ( 7.431 1.702 -13.886) 15.841 14.121 ( 7.431 1.702 13.886) 15.841 15.295 ( -11.214 -1.253 -7.987) 13.824 15.295 ( -11.214 -1.253 7.987) 13.824 15.580 ( 3.804 0.813 -18.396) 18.802 15.580 ( 3.804 0.813 18.396) 18.802 22.258 ( -5.988 0.841 -14.790) 15.978 22.258 ( -5.988 0.841 14.790) 15.978 22.652 ( -8.425 -6.822 -8.657) 13.873 22.652 ( -8.425 -6.822 8.657) 13.873 ======================= Grid point 569 (173/180) ======================= q-point: ( 0.36 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.994 ( -0.804 8.618 -15.854) 18.063 3.994 ( -0.804 8.618 15.854) 18.063 4.361 ( -11.678 7.168 -10.634) 17.345 4.361 ( -11.678 7.168 10.634) 17.345 5.378 ( 10.307 0.060 -8.760) 13.527 5.378 ( 10.307 0.060 8.760) 13.527 6.494 ( -17.339 -19.252 -8.508) 27.271 6.494 ( -17.339 -19.252 8.508) 27.271 7.642 ( 12.120 -5.242 -9.308) 16.156 7.642 ( 12.120 -5.242 9.308) 16.156 8.297 ( 2.732 3.799 -10.608) 11.594 8.297 ( 2.732 3.799 10.608) 11.594 9.109 ( -1.450 11.351 -5.159) 12.553 9.109 ( -1.450 11.351 5.159) 12.553 9.557 ( -16.439 -1.523 -13.372) 21.245 9.557 ( -16.439 -1.523 13.372) 21.245 11.032 ( 4.493 7.570 -19.103) 21.033 11.032 ( 4.493 7.570 19.103) 21.033 11.334 ( -0.671 4.819 -15.584) 16.326 11.334 ( -0.671 4.819 15.584) 16.326 12.385 ( 6.733 -0.531 -10.777) 12.719 12.385 ( 6.733 -0.531 10.777) 12.719 13.010 ( -11.136 -6.697 -3.571) 13.476 13.010 ( -11.136 -6.697 3.571) 13.476 13.516 ( 3.033 -7.424 -8.373) 11.594 13.516 ( 3.033 -7.424 8.373) 11.594 14.162 ( -5.957 -3.175 -4.710) 8.231 14.162 ( -5.957 -3.175 4.710) 8.231 15.169 ( 1.923 4.342 -19.127) 19.707 15.169 ( 1.923 4.342 19.127) 19.707 15.627 ( -0.764 5.097 -20.663) 21.296 15.627 ( -0.764 5.097 20.663) 21.296 22.167 ( -2.699 -1.303 -14.763) 15.064 22.167 ( -2.699 -1.303 14.763) 15.064 22.458 ( -10.273 -7.089 -11.038) 16.662 22.458 ( -10.273 -7.089 11.038) 16.662 ======================= Grid point 571 (174/180) ======================= q-point: ( 0.45 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.021 ( 3.735 10.173 -14.110) 17.792 4.021 ( 3.735 10.173 14.110) 17.792 4.147 ( -8.809 10.597 -12.812) 18.816 4.147 ( -8.809 10.597 12.812) 18.816 5.691 ( 19.260 -14.004 -10.460) 26.010 5.691 ( 19.260 -14.004 10.460) 26.010 6.102 ( -20.947 -20.311 -9.903) 30.812 6.102 ( -20.947 -20.311 9.903) 30.812 7.948 ( 16.751 -2.788 -7.322) 18.493 7.948 ( 16.751 -2.788 7.322) 18.493 8.235 ( -9.798 0.826 -4.018) 10.622 8.235 ( -9.798 0.826 4.018) 10.622 9.119 ( 3.920 8.551 -7.135) 11.806 9.119 ( 3.920 8.551 7.135) 11.806 9.276 ( -11.277 3.845 -10.066) 15.598 9.276 ( -11.277 3.845 10.066) 15.598 11.145 ( 6.525 9.516 -15.826) 19.585 11.145 ( 6.525 9.516 15.826) 19.585 11.270 ( -5.304 8.640 -14.464) 17.664 11.270 ( -5.304 8.640 14.464) 17.664 12.557 ( 10.111 -2.066 -6.651) 12.277 12.557 ( 10.111 -2.066 6.651) 12.277 12.778 ( -11.677 -4.119 -4.205) 13.077 12.778 ( -11.677 -4.119 4.205) 13.077 13.660 ( 10.981 -11.348 -7.154) 17.336 13.660 ( 10.981 -11.348 7.154) 17.336 13.927 ( -14.587 -9.154 -6.542) 18.422 13.927 ( -14.587 -9.154 6.542) 18.422 15.330 ( 11.229 8.268 -25.021) 28.645 15.330 ( 11.229 8.268 25.021) 28.645 15.535 ( -8.110 7.518 -23.704) 26.157 15.535 ( -8.110 7.518 23.704) 26.157 22.163 ( 2.580 -3.909 -14.126) 14.882 22.163 ( 2.580 -3.909 14.126) 14.882 22.270 ( -7.827 -6.080 -12.900) 16.268 22.270 ( -7.827 -6.080 12.900) 16.268 ======================= Grid point 583 (175/180) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.362 ( 0.000 3.302 -24.746) 24.965 4.362 ( 0.000 3.302 24.746) 24.965 4.402 ( 0.000 -0.399 -26.170) 26.173 4.402 ( 0.000 -0.399 26.170) 26.173 6.916 ( 0.000 7.008 -24.391) 25.378 6.916 ( 0.000 7.008 24.391) 25.378 6.979 ( 0.000 -0.109 -24.135) 24.136 6.979 ( 0.000 -0.109 24.135) 24.136 7.834 ( 0.000 20.452 -12.639) 24.042 7.834 ( 0.000 20.452 12.639) 24.042 8.141 ( 0.000 -5.477 -14.731) 15.716 8.141 ( 0.000 -5.477 14.731) 15.716 9.291 ( 0.000 12.054 -23.130) 26.082 9.291 ( 0.000 12.054 23.130) 26.082 9.731 ( 0.000 -27.571 -13.751) 30.810 9.731 ( 0.000 -27.571 13.751) 30.810 10.918 ( 0.000 3.119 -16.313) 16.608 10.918 ( 0.000 3.119 16.313) 16.608 10.947 ( 0.000 0.205 -19.011) 19.012 10.947 ( 0.000 0.205 19.011) 19.012 12.905 ( 0.000 8.628 -22.769) 24.349 12.905 ( 0.000 8.628 22.769) 24.349 13.046 ( 0.000 -5.418 -23.325) 23.946 13.046 ( 0.000 -5.418 23.325) 23.946 13.637 ( 0.000 8.083 -10.882) 13.556 13.637 ( 0.000 8.083 10.882) 13.556 13.842 ( 0.000 -12.009 -9.980) 15.615 13.842 ( 0.000 -12.009 9.980) 15.615 15.408 ( 0.000 16.133 -8.039) 18.025 15.408 ( 0.000 16.133 8.039) 18.025 15.739 ( 0.000 -16.017 -8.179) 17.984 15.739 ( 0.000 -16.017 8.179) 17.984 22.664 ( 0.000 0.841 -26.174) 26.188 22.664 ( 0.000 0.841 26.174) 26.188 22.679 ( 0.000 -1.122 -23.523) 23.550 22.679 ( 0.000 -1.122 23.523) 23.550 ======================= Grid point 585 (176/180) ======================= q-point: ( 0.09 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.320 ( -3.366 3.380 -19.364) 19.942 4.320 ( -3.366 3.380 19.364) 19.942 4.410 ( 0.187 -1.218 -25.834) 25.863 4.410 ( 0.187 -1.218 25.834) 25.863 6.785 ( -13.751 13.288 -4.304) 19.600 6.785 ( -13.751 13.288 4.304) 19.600 6.914 ( -5.933 -0.953 -1.335) 6.155 6.914 ( -5.933 -0.953 1.335) 6.155 7.736 ( -9.619 12.516 -11.817) 19.718 7.736 ( -9.619 12.516 11.817) 19.718 8.073 ( -5.221 -10.015 -11.857) 16.376 8.073 ( -5.221 -10.015 11.857) 16.376 9.168 ( -1.422 6.308 -6.580) 9.226 9.168 ( -1.422 6.308 6.580) 9.226 10.115 ( 26.062 -14.066 -21.247) 36.448 10.115 ( 26.062 -14.066 21.247) 36.448 10.649 ( -16.187 0.955 -12.157) 20.266 10.649 ( -16.187 0.955 12.157) 20.266 11.100 ( 5.381 1.151 -19.589) 20.347 11.100 ( 5.381 1.151 19.589) 20.347 12.674 ( -12.511 2.703 -20.623) 24.273 12.674 ( -12.511 2.703 20.623) 24.273 13.271 ( 5.870 -0.340 -21.086) 21.891 13.271 ( 5.870 -0.340 21.086) 21.891 13.516 ( 0.602 2.986 -4.246) 5.225 13.516 ( 0.602 2.986 4.246) 5.225 13.977 ( 5.460 -4.300 -12.980) 14.723 13.977 ( 5.460 -4.300 12.980) 14.723 15.370 ( -1.607 11.049 -7.535) 13.470 15.370 ( -1.607 11.049 7.535) 13.470 15.688 ( -5.613 -12.189 -9.464) 16.421 15.688 ( -5.613 -12.189 9.464) 16.421 22.547 ( -6.930 -0.087 -26.379) 27.274 22.547 ( -6.930 -0.087 26.379) 27.274 22.740 ( 1.298 -0.490 -18.846) 18.897 22.740 ( 1.298 -0.490 18.846) 18.897 ======================= Grid point 587 (177/180) ======================= q-point: ( 0.18 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.247 ( -3.583 4.887 -14.600) 15.807 4.247 ( -3.583 4.887 14.600) 15.807 4.406 ( -0.497 -4.456 -24.862) 25.263 4.406 ( -0.497 -4.457 24.862) 25.263 6.383 ( -24.407 25.294 -8.601) 36.186 6.383 ( -24.407 25.294 8.601) 36.186 6.752 ( -11.585 -9.876 -9.632) 18.015 6.752 ( -11.585 -9.876 9.632) 18.015 7.462 ( -12.854 -6.690 -11.120) 18.266 7.462 ( -12.854 -6.690 11.120) 18.266 8.086 ( 6.120 -1.302 -18.211) 19.256 8.086 ( 6.120 -1.302 18.211) 19.256 9.246 ( 6.277 7.949 -7.705) 12.726 9.246 ( 6.277 7.949 7.705) 12.726 10.249 ( -18.778 -1.199 -13.798) 23.333 10.249 ( -18.778 -1.199 13.798) 23.333 10.657 ( 22.237 -5.665 -23.293) 32.698 10.657 ( 22.237 -5.665 23.293) 32.698 11.168 ( 2.075 -0.097 -19.191) 19.303 11.168 ( 2.075 -0.097 19.191) 19.303 12.467 ( -7.861 3.132 -18.306) 20.167 12.467 ( -7.861 3.132 18.306) 20.167 13.156 ( -9.538 -5.804 -8.251) 13.883 13.156 ( -9.538 -5.804 8.251) 13.883 13.752 ( 10.762 11.337 -14.698) 21.456 13.752 ( 10.762 11.337 14.698) 21.456 13.975 ( -1.896 -5.721 -13.252) 14.558 13.975 ( -1.896 -5.721 13.252) 14.558 15.404 ( 2.497 4.720 -5.393) 7.589 15.404 ( 2.497 4.721 5.393) 7.589 15.526 ( -7.469 -7.335 -9.930) 14.429 15.526 ( -7.469 -7.335 9.930) 14.429 22.400 ( -7.669 -0.418 -29.454) 30.439 22.400 ( -7.669 -0.418 29.454) 30.439 22.711 ( -4.328 -0.939 -16.792) 17.366 22.711 ( -4.328 -0.939 16.792) 17.366 ======================= Grid point 589 (178/180) ======================= q-point: ( 0.27 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.191 ( -1.759 7.387 -11.304) 13.618 4.191 ( -1.759 7.387 11.304) 13.618 4.394 ( -0.668 -7.753 -20.017) 21.476 4.394 ( -0.668 -7.753 20.017) 21.476 5.894 ( -22.492 27.471 -4.040) 35.733 5.894 ( -22.492 27.471 4.040) 35.733 6.426 ( -19.590 -22.611 -8.641) 31.140 6.426 ( -19.590 -22.611 8.641) 31.140 7.372 ( 3.800 -4.415 -9.650) 11.271 7.372 ( 3.800 -4.415 9.650) 11.271 8.245 ( 8.294 1.695 -17.750) 19.665 8.245 ( 8.294 1.695 17.750) 19.665 9.346 ( 2.751 8.759 -7.845) 12.076 9.346 ( 2.751 8.759 7.845) 12.076 9.845 ( -20.257 -3.236 -12.824) 24.192 9.845 ( -20.257 -3.236 12.824) 24.192 11.040 ( 13.940 4.657 -23.363) 27.602 11.040 ( 13.940 4.657 23.363) 27.602 11.226 ( 5.287 -4.496 -16.826) 18.201 11.226 ( 5.287 -4.496 16.826) 18.201 12.369 ( -1.683 3.381 -15.492) 15.945 12.369 ( -1.683 3.381 15.492) 15.945 12.972 ( -8.620 -8.543 -6.148) 13.605 12.972 ( -8.620 -8.543 6.148) 13.605 13.653 ( -11.908 4.907 -15.219) 19.937 13.653 ( -11.908 4.907 15.219) 19.937 14.125 ( 7.915 -0.721 -12.999) 15.236 14.125 ( 7.915 -0.721 12.999) 15.236 15.261 ( -8.087 -1.006 -15.195) 17.243 15.261 ( -8.087 -1.006 15.195) 17.243 15.603 ( 7.278 0.702 -13.834) 15.647 15.603 ( 7.278 0.702 13.834) 15.647 22.249 ( -7.144 -0.944 -30.965) 31.792 22.249 ( -7.144 -0.944 30.965) 31.792 22.572 ( -9.180 -1.448 -17.257) 19.600 22.572 ( -9.180 -1.448 17.257) 19.600 ======================= Grid point 591 (179/180) ======================= q-point: ( 0.36 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.183 ( 1.020 9.704 -8.534) 12.963 4.183 ( 1.020 9.704 8.534) 12.963 4.372 ( -1.887 -5.786 -9.903) 11.624 4.372 ( -1.887 -5.786 9.903) 11.624 5.551 ( -10.516 17.020 -3.630) 20.333 5.551 ( -10.516 17.020 3.630) 20.333 6.030 ( -19.021 -24.400 -10.484) 32.666 6.030 ( -19.021 -24.400 10.484) 32.666 7.567 ( 14.608 -1.898 -9.876) 17.735 7.567 ( 14.608 -1.898 9.876) 17.735 8.364 ( 1.909 2.028 -11.163) 11.505 8.364 ( 1.909 2.028 11.163) 11.505 9.333 ( -4.365 9.671 -6.954) 12.686 9.333 ( -4.365 9.671 6.954) 12.686 9.492 ( -12.961 -5.029 -11.862) 18.275 9.492 ( -12.961 -5.029 11.862) 18.275 11.209 ( 5.941 8.214 -15.332) 18.380 11.209 ( 5.941 8.214 15.332) 18.380 11.375 ( 6.284 -1.363 -18.939) 20.001 11.375 ( 6.284 -1.363 18.939) 20.001 12.400 ( 4.454 2.150 -9.976) 11.134 12.400 ( 4.454 2.150 9.976) 11.134 12.811 ( -7.672 -9.127 -5.394) 13.086 12.811 ( -7.672 -9.127 5.394) 13.086 13.465 ( -4.897 0.081 -13.450) 14.314 13.465 ( -4.897 0.081 13.450) 14.314 14.095 ( -10.995 -2.376 -4.767) 12.217 14.095 ( -10.995 -2.376 4.767) 12.217 15.249 ( 7.047 2.648 -25.029) 26.137 15.249 ( 7.047 2.648 25.029) 26.137 15.696 ( 1.229 1.639 -18.431) 18.545 15.696 ( 1.229 1.639 18.431) 18.545 22.131 ( -4.163 -1.529 -30.465) 30.786 22.131 ( -4.163 -1.529 30.465) 30.786 22.369 ( -10.423 -1.870 -20.190) 22.799 22.369 ( -10.423 -1.870 20.190) 22.799 ======================= Grid point 593 (180/180) ======================= q-point: ( 0.45 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.230 ( 3.517 9.216 -5.961) 11.526 4.230 ( 3.517 9.216 5.961) 11.526 4.311 ( -4.052 3.105 -3.484) 6.181 4.311 ( -4.052 3.105 3.485) 6.181 5.494 ( 4.444 -2.156 -7.235) 8.760 5.494 ( 4.444 -2.156 7.235) 8.760 5.691 ( -14.244 -17.325 -10.291) 24.677 5.691 ( -14.244 -17.325 10.291) 24.677 7.914 ( 18.837 -0.757 -8.753) 20.785 7.914 ( 18.837 -0.757 8.753) 20.785 8.255 ( -13.017 0.687 -1.978) 13.184 8.255 ( -13.017 0.687 1.978) 13.184 9.255 ( -0.035 4.176 -9.869) 10.717 9.255 ( -0.035 4.176 9.869) 10.717 9.327 ( -5.807 1.030 -9.167) 10.900 9.327 ( -5.807 1.030 9.167) 10.900 11.329 ( 5.855 6.581 -12.219) 15.063 11.329 ( 5.855 6.581 12.219) 15.063 11.416 ( -1.914 4.330 -14.626) 15.374 11.416 ( -1.914 4.330 14.626) 15.374 12.520 ( 6.809 -0.627 -2.342) 7.228 12.520 ( 6.809 -0.627 2.342) 7.228 12.661 ( -7.295 -5.650 -3.447) 9.850 12.661 ( -7.295 -5.650 3.448) 9.850 13.506 ( 9.178 -3.622 -8.807) 13.226 13.506 ( 9.178 -3.622 8.807) 13.226 13.787 ( -16.967 -3.951 -7.326) 18.899 13.787 ( -16.967 -3.951 7.326) 18.899 15.455 ( 11.276 3.488 -26.851) 29.331 15.455 ( 11.276 3.488 26.851) 29.331 15.642 ( -6.505 2.729 -23.387) 24.427 15.642 ( -6.505 2.729 23.387) 24.427 22.099 ( 1.297 -1.959 -28.054) 28.153 22.099 ( 1.297 -1.959 28.054) 28.153 22.186 ( -7.186 -2.076 -24.280) 25.406 22.186 ( -7.186 -2.076 24.280) 25.406 =================== 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 3/35640 10.0 2653.047 3843.657 1322.689 0.000 0.000 0.000 3/35640 20.0 1967.089 2131.294 2368.209 0.000 0.000 0.000 3/35640 30.0 712.569 506.527 748.686 0.000 0.000 -0.000 3/35640 40.0 318.334 191.540 315.393 0.000 0.000 -0.000 3/35640 50.0 174.304 96.804 171.853 0.000 0.000 -0.000 3/35640 60.0 109.364 58.632 108.537 0.000 0.000 -0.000 3/35640 70.0 75.343 39.902 75.309 0.000 0.000 -0.000 3/35640 80.0 55.518 29.379 55.816 0.000 0.000 -0.000 3/35640 90.0 43.029 22.872 43.453 0.000 0.000 -0.000 3/35640 100.0 34.674 18.556 35.137 0.000 0.000 -0.000 3/35640 110.0 28.810 15.534 29.278 0.000 0.000 -0.000 3/35640 120.0 24.531 13.325 24.988 0.000 0.000 -0.000 3/35640 130.0 21.303 11.653 21.748 0.000 0.000 -0.000 3/35640 140.0 18.799 10.351 19.232 0.000 0.000 -0.000 3/35640 150.0 16.811 9.312 17.233 0.000 0.000 -0.000 3/35640 160.0 15.200 8.465 15.614 0.000 0.000 -0.000 3/35640 170.0 13.871 7.763 14.278 0.000 0.000 -0.000 3/35640 180.0 12.758 7.171 13.160 0.000 0.000 -0.000 3/35640 190.0 11.812 6.667 12.211 0.000 0.000 -0.000 3/35640 200.0 11.001 6.231 11.397 0.000 0.000 -0.000 3/35640 210.0 10.296 5.852 10.690 0.000 0.000 -0.000 3/35640 220.0 9.679 5.518 10.072 0.000 0.000 -0.000 3/35640 230.0 9.134 5.221 9.525 0.000 0.000 -0.000 3/35640 240.0 8.650 4.957 9.039 0.000 0.000 -0.000 3/35640 250.0 8.216 4.719 8.603 0.000 0.000 -0.000 3/35640 260.0 7.825 4.504 8.211 0.000 0.000 -0.000 3/35640 270.0 7.471 4.308 7.855 0.000 0.000 -0.000 3/35640 280.0 7.149 4.130 7.531 0.000 0.000 -0.000 3/35640 290.0 6.855 3.966 7.235 0.000 0.000 -0.000 3/35640 300.0 6.585 3.816 6.962 0.000 0.000 -0.000 3/35640 310.0 6.336 3.677 6.711 0.000 0.000 -0.000 3/35640 320.0 6.106 3.548 6.478 0.000 0.000 -0.000 3/35640 330.0 5.893 3.428 6.262 0.000 0.000 -0.000 3/35640 340.0 5.694 3.316 6.061 0.000 0.000 -0.000 3/35640 350.0 5.510 3.212 5.873 0.000 0.000 -0.000 3/35640 360.0 5.337 3.114 5.697 0.000 0.000 -0.000 3/35640 370.0 5.175 3.022 5.532 0.000 0.000 -0.000 3/35640 380.0 5.023 2.936 5.376 0.000 0.000 -0.000 3/35640 390.0 4.880 2.855 5.230 0.000 0.000 -0.000 3/35640 400.0 4.745 2.778 5.091 0.000 0.000 -0.000 3/35640 410.0 4.618 2.705 4.960 0.000 0.000 -0.000 3/35640 420.0 4.497 2.636 4.836 0.000 0.000 -0.000 3/35640 430.0 4.383 2.571 4.718 0.000 0.000 -0.000 3/35640 440.0 4.275 2.509 4.607 0.000 0.000 -0.000 3/35640 450.0 4.172 2.450 4.500 0.000 0.000 -0.000 3/35640 460.0 4.074 2.393 4.398 0.000 0.000 -0.000 3/35640 470.0 3.981 2.340 4.301 0.000 0.000 -0.000 3/35640 480.0 3.892 2.288 4.209 0.000 0.000 -0.000 3/35640 490.0 3.806 2.239 4.120 0.000 0.000 -0.000 3/35640 500.0 3.725 2.192 4.035 0.000 0.000 -0.000 3/35640 510.0 3.647 2.147 3.954 0.000 0.000 -0.000 3/35640 520.0 3.573 2.104 3.876 0.000 0.000 -0.000 3/35640 530.0 3.501 2.063 3.801 0.000 0.000 -0.000 3/35640 540.0 3.433 2.023 3.729 0.000 0.000 -0.000 3/35640 550.0 3.367 1.985 3.659 0.000 0.000 -0.000 3/35640 560.0 3.303 1.948 3.593 0.000 0.000 -0.000 3/35640 570.0 3.242 1.913 3.528 0.000 0.000 -0.000 3/35640 580.0 3.184 1.879 3.466 0.000 0.000 -0.000 3/35640 590.0 3.127 1.846 3.407 0.000 0.000 -0.000 3/35640 600.0 3.073 1.814 3.349 0.000 0.000 -0.000 3/35640 610.0 3.020 1.783 3.293 0.000 0.000 -0.000 3/35640 620.0 2.969 1.754 3.239 0.000 0.000 -0.000 3/35640 630.0 2.920 1.725 3.187 0.000 0.000 -0.000 3/35640 640.0 2.872 1.697 3.136 0.000 0.000 -0.000 3/35640 650.0 2.826 1.670 3.088 0.000 0.000 -0.000 3/35640 660.0 2.782 1.644 3.040 0.000 0.000 -0.000 3/35640 670.0 2.739 1.619 2.994 0.000 0.000 -0.000 3/35640 680.0 2.697 1.595 2.950 0.000 0.000 -0.000 3/35640 690.0 2.657 1.571 2.906 0.000 0.000 -0.000 3/35640 700.0 2.617 1.548 2.864 0.000 0.000 -0.000 3/35640 710.0 2.579 1.526 2.824 0.000 0.000 -0.000 3/35640 720.0 2.542 1.504 2.784 0.000 0.000 -0.000 3/35640 730.0 2.506 1.483 2.746 0.000 0.000 -0.000 3/35640 740.0 2.471 1.463 2.708 0.000 0.000 -0.000 3/35640 750.0 2.438 1.443 2.672 0.000 0.000 -0.000 3/35640 760.0 2.405 1.423 2.636 0.000 0.000 -0.000 3/35640 770.0 2.372 1.405 2.602 0.000 0.000 -0.000 3/35640 780.0 2.341 1.386 2.568 0.000 0.000 -0.000 3/35640 790.0 2.311 1.368 2.535 0.000 0.000 -0.000 3/35640 800.0 2.281 1.351 2.504 0.000 0.000 -0.000 3/35640 810.0 2.252 1.334 2.472 0.000 0.000 -0.000 3/35640 820.0 2.224 1.317 2.442 0.000 0.000 -0.000 3/35640 830.0 2.197 1.301 2.412 0.000 0.000 -0.000 3/35640 840.0 2.170 1.286 2.384 0.000 0.000 -0.000 3/35640 850.0 2.144 1.270 2.355 0.000 0.000 -0.000 3/35640 860.0 2.118 1.255 2.328 0.000 0.000 -0.000 3/35640 870.0 2.093 1.241 2.301 0.000 0.000 -0.000 3/35640 880.0 2.069 1.226 2.275 0.000 0.000 -0.000 3/35640 890.0 2.045 1.212 2.249 0.000 0.000 -0.000 3/35640 900.0 2.022 1.199 2.224 0.000 0.000 -0.000 3/35640 910.0 1.999 1.185 2.199 0.000 0.000 -0.000 3/35640 920.0 1.977 1.172 2.175 0.000 0.000 -0.000 3/35640 930.0 1.956 1.159 2.152 0.000 0.000 -0.000 3/35640 940.0 1.934 1.147 2.129 0.000 0.000 -0.000 3/35640 950.0 1.914 1.135 2.106 0.000 0.000 -0.000 3/35640 960.0 1.893 1.123 2.084 0.000 0.000 -0.000 3/35640 970.0 1.873 1.111 2.063 0.000 0.000 -0.000 3/35640 980.0 1.854 1.100 2.042 0.000 0.000 -0.000 3/35640 990.0 1.835 1.088 2.021 0.000 0.000 -0.000 3/35640 1000.0 1.816 1.077 2.001 0.000 0.000 -0.000 3/35640 Thermal conductivity related properties were written into "kappa-m11910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:53:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|