----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:24:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 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 4.472315610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.384200489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.887897330000000 Atomic positions (fractional): *1 Mg 0.50000000000000 0.82979710557188 0.25000000000000 24.305 2 Mg 0.00000000000000 0.32979710557188 0.25000000000000 24.305 3 Mg 0.50000000000000 0.17020289442813 0.75000000000000 24.305 4 Mg 0.00000000000000 0.67020289442812 0.75000000000000 24.305 *5 H 0.23008861105697 0.39451186383563 0.57870817521680 1.008 6 H 0.76991138894303 0.39451186383563 0.92129182478320 1.008 7 H 0.23008861105697 0.60548813616437 0.07870817521680 1.008 8 H 0.73008861105697 0.10548813616437 0.42129182478320 1.008 9 H 0.76991138894303 0.60548813616437 0.42129182478320 1.008 10 H 0.26991138894303 0.10548813616437 0.07870817521680 1.008 11 H 0.26991138894303 0.89451186383563 0.57870817521680 1.008 12 H 0.73008861105697 0.89451186383563 0.92129182478320 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.472315610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.384200489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.887897330000000 Atomic positions (fractional): *1 Mg 0.50000000000000 0.82979710557188 0.25000000000000 24.305 > 1 2 Mg 0.00000000000000 0.32979710557188 0.25000000000000 24.305 > 2 3 Mg 0.50000000000000 0.17020289442813 0.75000000000000 24.305 > 3 4 Mg 0.00000000000000 0.67020289442812 0.75000000000000 24.305 > 4 *5 H 0.23008861105697 0.39451186383563 0.57870817521680 1.008 > 5 6 H 0.76991138894303 0.39451186383563 0.92129182478320 1.008 > 6 7 H 0.23008861105697 0.60548813616437 0.07870817521680 1.008 > 7 8 H 0.73008861105697 0.10548813616437 0.42129182478320 1.008 > 8 9 H 0.76991138894303 0.60548813616437 0.42129182478320 1.008 > 9 10 H 0.26991138894303 0.10548813616437 0.07870817521680 1.008 > 10 11 H 0.26991138894303 0.89451186383563 0.57870817521680 1.008 > 11 12 H 0.73008861105697 0.89451186383563 0.92129182478320 1.008 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.416946830000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.768400979999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775794660000001 Atomic positions (fractional): *1 Mg 0.16666666666667 0.41489855278594 0.12500000000000 24.305 > 1 2 Mg 0.50000000000000 0.41489855278594 0.12500000000000 24.305 > 1 3 Mg 0.83333333333333 0.41489855278594 0.12500000000000 24.305 > 1 4 Mg 0.16666666666667 0.91489855278594 0.12500000000000 24.305 > 1 5 Mg 0.50000000000000 0.91489855278594 0.12500000000000 24.305 > 1 6 Mg 0.83333333333333 0.91489855278594 0.12500000000000 24.305 > 1 7 Mg 0.16666666666667 0.41489855278594 0.62500000000000 24.305 > 1 8 Mg 0.50000000000000 0.41489855278594 0.62500000000000 24.305 > 1 9 Mg 0.83333333333333 0.41489855278594 0.62500000000000 24.305 > 1 10 Mg 0.16666666666667 0.91489855278594 0.62500000000000 24.305 > 1 11 Mg 0.50000000000000 0.91489855278594 0.62500000000000 24.305 > 1 12 Mg 0.83333333333333 0.91489855278594 0.62500000000000 24.305 > 1 13 Mg 0.00000000000000 0.16489855278594 0.12500000000000 24.305 > 2 14 Mg 0.33333333333333 0.16489855278594 0.12500000000000 24.305 > 2 15 Mg 0.66666666666667 0.16489855278594 0.12500000000000 24.305 > 2 16 Mg 0.00000000000000 0.66489855278594 0.12500000000000 24.305 > 2 17 Mg 0.33333333333333 0.66489855278594 0.12500000000000 24.305 > 2 18 Mg 0.66666666666667 0.66489855278594 0.12500000000000 24.305 > 2 19 Mg 0.00000000000000 0.16489855278594 0.62500000000000 24.305 > 2 20 Mg 0.33333333333333 0.16489855278594 0.62500000000000 24.305 > 2 21 Mg 0.66666666666667 0.16489855278594 0.62500000000000 24.305 > 2 22 Mg 0.00000000000000 0.66489855278594 0.62500000000000 24.305 > 2 23 Mg 0.33333333333333 0.66489855278594 0.62500000000000 24.305 > 2 24 Mg 0.66666666666667 0.66489855278594 0.62500000000000 24.305 > 2 25 Mg 0.16666666666667 0.08510144721406 0.37500000000000 24.305 > 3 26 Mg 0.50000000000000 0.08510144721406 0.37500000000000 24.305 > 3 27 Mg 0.83333333333333 0.08510144721406 0.37500000000000 24.305 > 3 28 Mg 0.16666666666667 0.58510144721406 0.37500000000000 24.305 > 3 29 Mg 0.50000000000000 0.58510144721406 0.37500000000000 24.305 > 3 30 Mg 0.83333333333333 0.58510144721406 0.37500000000000 24.305 > 3 31 Mg 0.16666666666667 0.08510144721406 0.87500000000000 24.305 > 3 32 Mg 0.50000000000000 0.08510144721406 0.87500000000000 24.305 > 3 33 Mg 0.83333333333333 0.08510144721406 0.87500000000000 24.305 > 3 34 Mg 0.16666666666667 0.58510144721406 0.87500000000000 24.305 > 3 35 Mg 0.50000000000000 0.58510144721406 0.87500000000000 24.305 > 3 36 Mg 0.83333333333333 0.58510144721406 0.87500000000000 24.305 > 3 37 Mg 0.00000000000000 0.33510144721406 0.37500000000000 24.305 > 4 38 Mg 0.33333333333333 0.33510144721406 0.37500000000000 24.305 > 4 39 Mg 0.66666666666667 0.33510144721406 0.37500000000000 24.305 > 4 40 Mg 0.00000000000000 0.83510144721406 0.37500000000000 24.305 > 4 41 Mg 0.33333333333333 0.83510144721406 0.37500000000000 24.305 > 4 42 Mg 0.66666666666667 0.83510144721406 0.37500000000000 24.305 > 4 43 Mg 0.00000000000000 0.33510144721406 0.87500000000000 24.305 > 4 44 Mg 0.33333333333333 0.33510144721406 0.87500000000000 24.305 > 4 45 Mg 0.66666666666667 0.33510144721406 0.87500000000000 24.305 > 4 46 Mg 0.00000000000000 0.83510144721406 0.87500000000000 24.305 > 4 47 Mg 0.33333333333333 0.83510144721406 0.87500000000000 24.305 > 4 48 Mg 0.66666666666667 0.83510144721406 0.87500000000000 24.305 > 4 *49 H 0.07669620368566 0.19725593191782 0.28935408760840 1.008 > 5 50 H 0.41002953701899 0.19725593191782 0.28935408760840 1.008 > 5 51 H 0.74336287035232 0.19725593191782 0.28935408760840 1.008 > 5 52 H 0.07669620368566 0.69725593191782 0.28935408760840 1.008 > 5 53 H 0.41002953701899 0.69725593191782 0.28935408760840 1.008 > 5 54 H 0.74336287035232 0.69725593191782 0.28935408760840 1.008 > 5 55 H 0.07669620368566 0.19725593191782 0.78935408760840 1.008 > 5 56 H 0.41002953701899 0.19725593191782 0.78935408760840 1.008 > 5 57 H 0.74336287035232 0.19725593191782 0.78935408760840 1.008 > 5 58 H 0.07669620368566 0.69725593191782 0.78935408760840 1.008 > 5 59 H 0.41002953701899 0.69725593191782 0.78935408760840 1.008 > 5 60 H 0.74336287035232 0.69725593191782 0.78935408760840 1.008 > 5 61 H 0.25663712964768 0.19725593191782 0.46064591239160 1.008 > 6 62 H 0.58997046298101 0.19725593191782 0.46064591239160 1.008 > 6 63 H 0.92330379631434 0.19725593191782 0.46064591239160 1.008 > 6 64 H 0.25663712964768 0.69725593191782 0.46064591239160 1.008 > 6 65 H 0.58997046298101 0.69725593191782 0.46064591239160 1.008 > 6 66 H 0.92330379631434 0.69725593191782 0.46064591239160 1.008 > 6 67 H 0.25663712964768 0.19725593191782 0.96064591239160 1.008 > 6 68 H 0.58997046298101 0.19725593191782 0.96064591239160 1.008 > 6 69 H 0.92330379631434 0.19725593191782 0.96064591239160 1.008 > 6 70 H 0.25663712964768 0.69725593191782 0.96064591239160 1.008 > 6 71 H 0.58997046298101 0.69725593191782 0.96064591239160 1.008 > 6 72 H 0.92330379631434 0.69725593191782 0.96064591239160 1.008 > 6 73 H 0.07669620368566 0.30274406808218 0.03935408760840 1.008 > 7 74 H 0.41002953701899 0.30274406808218 0.03935408760840 1.008 > 7 75 H 0.74336287035232 0.30274406808218 0.03935408760840 1.008 > 7 76 H 0.07669620368566 0.80274406808218 0.03935408760840 1.008 > 7 77 H 0.41002953701899 0.80274406808218 0.03935408760840 1.008 > 7 78 H 0.74336287035232 0.80274406808218 0.03935408760840 1.008 > 7 79 H 0.07669620368566 0.30274406808218 0.53935408760840 1.008 > 7 80 H 0.41002953701899 0.30274406808218 0.53935408760840 1.008 > 7 81 H 0.74336287035232 0.30274406808218 0.53935408760840 1.008 > 7 82 H 0.07669620368566 0.80274406808218 0.53935408760840 1.008 > 7 83 H 0.41002953701899 0.80274406808218 0.53935408760840 1.008 > 7 84 H 0.74336287035232 0.80274406808218 0.53935408760840 1.008 > 7 85 H 0.24336287035232 0.05274406808218 0.21064591239160 1.008 > 8 86 H 0.57669620368566 0.05274406808218 0.21064591239160 1.008 > 8 87 H 0.91002953701899 0.05274406808218 0.21064591239160 1.008 > 8 88 H 0.24336287035232 0.55274406808218 0.21064591239160 1.008 > 8 89 H 0.57669620368566 0.55274406808218 0.21064591239160 1.008 > 8 90 H 0.91002953701899 0.55274406808218 0.21064591239160 1.008 > 8 91 H 0.24336287035232 0.05274406808218 0.71064591239160 1.008 > 8 92 H 0.57669620368566 0.05274406808218 0.71064591239160 1.008 > 8 93 H 0.91002953701899 0.05274406808218 0.71064591239160 1.008 > 8 94 H 0.24336287035232 0.55274406808218 0.71064591239160 1.008 > 8 95 H 0.57669620368566 0.55274406808218 0.71064591239160 1.008 > 8 96 H 0.91002953701899 0.55274406808218 0.71064591239160 1.008 > 8 97 H 0.25663712964768 0.30274406808218 0.21064591239160 1.008 > 9 98 H 0.58997046298101 0.30274406808218 0.21064591239160 1.008 > 9 99 H 0.92330379631434 0.30274406808218 0.21064591239160 1.008 > 9 100 H 0.25663712964768 0.80274406808218 0.21064591239160 1.008 > 9 101 H 0.58997046298101 0.80274406808218 0.21064591239160 1.008 > 9 102 H 0.92330379631434 0.80274406808218 0.21064591239160 1.008 > 9 103 H 0.25663712964768 0.30274406808218 0.71064591239160 1.008 > 9 104 H 0.58997046298101 0.30274406808218 0.71064591239160 1.008 > 9 105 H 0.92330379631434 0.30274406808218 0.71064591239160 1.008 > 9 106 H 0.25663712964768 0.80274406808218 0.71064591239160 1.008 > 9 107 H 0.58997046298101 0.80274406808218 0.71064591239160 1.008 > 9 108 H 0.92330379631434 0.80274406808218 0.71064591239160 1.008 > 9 109 H 0.08997046298101 0.05274406808218 0.03935408760840 1.008 > 10 110 H 0.42330379631434 0.05274406808218 0.03935408760840 1.008 > 10 111 H 0.75663712964768 0.05274406808218 0.03935408760840 1.008 > 10 112 H 0.08997046298101 0.55274406808218 0.03935408760840 1.008 > 10 113 H 0.42330379631434 0.55274406808218 0.03935408760840 1.008 > 10 114 H 0.75663712964768 0.55274406808218 0.03935408760840 1.008 > 10 115 H 0.08997046298101 0.05274406808218 0.53935408760840 1.008 > 10 116 H 0.42330379631434 0.05274406808218 0.53935408760840 1.008 > 10 117 H 0.75663712964768 0.05274406808218 0.53935408760840 1.008 > 10 118 H 0.08997046298101 0.55274406808218 0.53935408760840 1.008 > 10 119 H 0.42330379631434 0.55274406808218 0.53935408760840 1.008 > 10 120 H 0.75663712964768 0.55274406808218 0.53935408760840 1.008 > 10 121 H 0.08997046298101 0.44725593191782 0.28935408760840 1.008 > 11 122 H 0.42330379631434 0.44725593191782 0.28935408760840 1.008 > 11 123 H 0.75663712964768 0.44725593191782 0.28935408760840 1.008 > 11 124 H 0.08997046298101 0.94725593191782 0.28935408760840 1.008 > 11 125 H 0.42330379631434 0.94725593191782 0.28935408760840 1.008 > 11 126 H 0.75663712964768 0.94725593191782 0.28935408760840 1.008 > 11 127 H 0.08997046298101 0.44725593191782 0.78935408760840 1.008 > 11 128 H 0.42330379631434 0.44725593191782 0.78935408760840 1.008 > 11 129 H 0.75663712964768 0.44725593191782 0.78935408760840 1.008 > 11 130 H 0.08997046298101 0.94725593191782 0.78935408760840 1.008 > 11 131 H 0.42330379631434 0.94725593191782 0.78935408760840 1.008 > 11 132 H 0.75663712964768 0.94725593191782 0.78935408760840 1.008 > 11 133 H 0.24336287035232 0.44725593191782 0.46064591239160 1.008 > 12 134 H 0.57669620368566 0.44725593191782 0.46064591239160 1.008 > 12 135 H 0.91002953701899 0.44725593191782 0.46064591239160 1.008 > 12 136 H 0.24336287035232 0.94725593191782 0.46064591239160 1.008 > 12 137 H 0.57669620368566 0.94725593191782 0.46064591239160 1.008 > 12 138 H 0.91002953701899 0.94725593191782 0.46064591239160 1.008 > 12 139 H 0.24336287035232 0.44725593191782 0.96064591239160 1.008 > 12 140 H 0.57669620368566 0.44725593191782 0.96064591239160 1.008 > 12 141 H 0.91002953701899 0.44725593191782 0.96064591239160 1.008 > 12 142 H 0.24336287035232 0.94725593191782 0.96064591239160 1.008 > 12 143 H 0.57669620368566 0.94725593191782 0.96064591239160 1.008 > 12 144 H 0.91002953701899 0.94725593191782 0.96064591239160 1.008 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3292392 0.0000000 0.0000000 0.0000000 4.3402588 0.0000000 0.0000000 0.0000000 4.3062816 -------------------------- Born effective charges -------------------------- 1 Mg 1.8399269 0.0000000 0.0599982 0.0000000 1.9225236 0.0000000 0.0253004 0.0000000 1.9235253 2 Mg 1.8399269 0.0000000 -0.0599982 0.0000000 1.9225236 0.0000000 -0.0253004 0.0000000 1.9235253 3 Mg 1.8399269 0.0000000 0.0599982 0.0000000 1.9225236 0.0000000 0.0253004 0.0000000 1.9235253 4 Mg 1.8399269 0.0000000 -0.0599982 0.0000000 1.9225236 0.0000000 -0.0253004 0.0000000 1.9235253 5 H -0.9199635 0.1622149 -0.1147151 0.1752429 -0.9612618 -0.0210863 -0.1060316 -0.0166268 -0.9617627 6 H -0.9199635 -0.1622149 -0.1147151 -0.1752429 -0.9612618 0.0210863 -0.1060316 0.0166268 -0.9617627 7 H -0.9199635 -0.1622149 -0.1147151 -0.1752429 -0.9612618 0.0210863 -0.1060316 0.0166268 -0.9617627 8 H -0.9199635 -0.1622149 0.1147151 -0.1752429 -0.9612618 -0.0210863 0.1060316 -0.0166268 -0.9617627 9 H -0.9199635 0.1622149 -0.1147151 0.1752429 -0.9612618 -0.0210863 -0.1060316 -0.0166268 -0.9617627 10 H -0.9199635 0.1622149 0.1147151 0.1752429 -0.9612618 0.0210863 0.1060316 0.0166268 -0.9617627 11 H -0.9199635 -0.1622149 0.1147151 -0.1752429 -0.9612618 -0.0210863 0.1060316 -0.0166268 -0.9617627 12 H -0.9199635 0.1622149 0.1147151 0.1752429 -0.9612618 0.0210863 0.1060316 0.0166268 -0.9617627 ---------------------------------------------------------------------------- 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): 0.005 Solver_block: 100 / 240 - Time: 1.504 Solver_block: 200 / 240 - Time: 1.574 Solver_block: 240 / 240 - Time: 0.690 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.793 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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 2026-01-08 18:24:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:24:21]------------------------- 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 4.472315610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.384200489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.887897330000000 Atomic positions (fractional): 1 Mg 0.50000000000000 0.82979710557188 0.25000000000000 24.305 2 Mg 0.00000000000000 0.32979710557188 0.25000000000000 24.305 3 Mg 0.50000000000000 0.17020289442813 0.75000000000000 24.305 4 Mg 0.00000000000000 0.67020289442812 0.75000000000000 24.305 5 H 0.23008861105697 0.39451186383563 0.57870817521680 1.008 6 H 0.76991138894303 0.39451186383563 0.92129182478320 1.008 7 H 0.23008861105697 0.60548813616437 0.07870817521680 1.008 8 H 0.73008861105697 0.10548813616437 0.42129182478320 1.008 9 H 0.76991138894303 0.60548813616437 0.42129182478320 1.008 10 H 0.26991138894303 0.10548813616437 0.07870817521680 1.008 11 H 0.26991138894303 0.89451186383563 0.57870817521680 1.008 12 H 0.73008861105697 0.89451186383563 0.92129182478320 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.416946830000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.768400979999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775794660000001 Atomic positions (fractional): 1 Mg 0.16666666666667 0.41489855278594 0.12500000000000 24.305 > 1 2 Mg 0.50000000000000 0.41489855278594 0.12500000000000 24.305 > 1 3 Mg 0.83333333333333 0.41489855278594 0.12500000000000 24.305 > 1 4 Mg 0.16666666666667 0.91489855278594 0.12500000000000 24.305 > 1 5 Mg 0.50000000000000 0.91489855278594 0.12500000000000 24.305 > 1 6 Mg 0.83333333333333 0.91489855278594 0.12500000000000 24.305 > 1 7 Mg 0.16666666666667 0.41489855278594 0.62500000000000 24.305 > 1 8 Mg 0.50000000000000 0.41489855278594 0.62500000000000 24.305 > 1 9 Mg 0.83333333333333 0.41489855278594 0.62500000000000 24.305 > 1 10 Mg 0.16666666666667 0.91489855278594 0.62500000000000 24.305 > 1 11 Mg 0.50000000000000 0.91489855278594 0.62500000000000 24.305 > 1 12 Mg 0.83333333333333 0.91489855278594 0.62500000000000 24.305 > 1 13 Mg 0.00000000000000 0.16489855278594 0.12500000000000 24.305 > 13 14 Mg 0.33333333333333 0.16489855278594 0.12500000000000 24.305 > 13 15 Mg 0.66666666666667 0.16489855278594 0.12500000000000 24.305 > 13 16 Mg 0.00000000000000 0.66489855278594 0.12500000000000 24.305 > 13 17 Mg 0.33333333333333 0.66489855278594 0.12500000000000 24.305 > 13 18 Mg 0.66666666666667 0.66489855278594 0.12500000000000 24.305 > 13 19 Mg 0.00000000000000 0.16489855278594 0.62500000000000 24.305 > 13 20 Mg 0.33333333333333 0.16489855278594 0.62500000000000 24.305 > 13 21 Mg 0.66666666666667 0.16489855278594 0.62500000000000 24.305 > 13 22 Mg 0.00000000000000 0.66489855278594 0.62500000000000 24.305 > 13 23 Mg 0.33333333333333 0.66489855278594 0.62500000000000 24.305 > 13 24 Mg 0.66666666666667 0.66489855278594 0.62500000000000 24.305 > 13 25 Mg 0.16666666666667 0.08510144721406 0.37500000000000 24.305 > 25 26 Mg 0.50000000000000 0.08510144721406 0.37500000000000 24.305 > 25 27 Mg 0.83333333333333 0.08510144721406 0.37500000000000 24.305 > 25 28 Mg 0.16666666666667 0.58510144721406 0.37500000000000 24.305 > 25 29 Mg 0.50000000000000 0.58510144721406 0.37500000000000 24.305 > 25 30 Mg 0.83333333333333 0.58510144721406 0.37500000000000 24.305 > 25 31 Mg 0.16666666666667 0.08510144721406 0.87500000000000 24.305 > 25 32 Mg 0.50000000000000 0.08510144721406 0.87500000000000 24.305 > 25 33 Mg 0.83333333333333 0.08510144721406 0.87500000000000 24.305 > 25 34 Mg 0.16666666666667 0.58510144721406 0.87500000000000 24.305 > 25 35 Mg 0.50000000000000 0.58510144721406 0.87500000000000 24.305 > 25 36 Mg 0.83333333333333 0.58510144721406 0.87500000000000 24.305 > 25 37 Mg 0.00000000000000 0.33510144721406 0.37500000000000 24.305 > 37 38 Mg 0.33333333333333 0.33510144721406 0.37500000000000 24.305 > 37 39 Mg 0.66666666666667 0.33510144721406 0.37500000000000 24.305 > 37 40 Mg 0.00000000000000 0.83510144721406 0.37500000000000 24.305 > 37 41 Mg 0.33333333333333 0.83510144721406 0.37500000000000 24.305 > 37 42 Mg 0.66666666666667 0.83510144721406 0.37500000000000 24.305 > 37 43 Mg 0.00000000000000 0.33510144721406 0.87500000000000 24.305 > 37 44 Mg 0.33333333333333 0.33510144721406 0.87500000000000 24.305 > 37 45 Mg 0.66666666666667 0.33510144721406 0.87500000000000 24.305 > 37 46 Mg 0.00000000000000 0.83510144721406 0.87500000000000 24.305 > 37 47 Mg 0.33333333333333 0.83510144721406 0.87500000000000 24.305 > 37 48 Mg 0.66666666666667 0.83510144721406 0.87500000000000 24.305 > 37 49 H 0.07669620368566 0.19725593191782 0.28935408760840 1.008 > 49 50 H 0.41002953701899 0.19725593191782 0.28935408760840 1.008 > 49 51 H 0.74336287035232 0.19725593191782 0.28935408760840 1.008 > 49 52 H 0.07669620368566 0.69725593191782 0.28935408760840 1.008 > 49 53 H 0.41002953701899 0.69725593191782 0.28935408760840 1.008 > 49 54 H 0.74336287035232 0.69725593191782 0.28935408760840 1.008 > 49 55 H 0.07669620368566 0.19725593191782 0.78935408760840 1.008 > 49 56 H 0.41002953701899 0.19725593191782 0.78935408760840 1.008 > 49 57 H 0.74336287035232 0.19725593191782 0.78935408760840 1.008 > 49 58 H 0.07669620368566 0.69725593191782 0.78935408760840 1.008 > 49 59 H 0.41002953701899 0.69725593191782 0.78935408760840 1.008 > 49 60 H 0.74336287035232 0.69725593191782 0.78935408760840 1.008 > 49 61 H 0.25663712964768 0.19725593191782 0.46064591239160 1.008 > 61 62 H 0.58997046298101 0.19725593191782 0.46064591239160 1.008 > 61 63 H 0.92330379631434 0.19725593191782 0.46064591239160 1.008 > 61 64 H 0.25663712964768 0.69725593191782 0.46064591239160 1.008 > 61 65 H 0.58997046298101 0.69725593191782 0.46064591239160 1.008 > 61 66 H 0.92330379631434 0.69725593191782 0.46064591239160 1.008 > 61 67 H 0.25663712964768 0.19725593191782 0.96064591239160 1.008 > 61 68 H 0.58997046298101 0.19725593191782 0.96064591239160 1.008 > 61 69 H 0.92330379631434 0.19725593191782 0.96064591239160 1.008 > 61 70 H 0.25663712964768 0.69725593191782 0.96064591239160 1.008 > 61 71 H 0.58997046298101 0.69725593191782 0.96064591239160 1.008 > 61 72 H 0.92330379631434 0.69725593191782 0.96064591239160 1.008 > 61 73 H 0.07669620368566 0.30274406808218 0.03935408760840 1.008 > 73 74 H 0.41002953701899 0.30274406808218 0.03935408760840 1.008 > 73 75 H 0.74336287035232 0.30274406808218 0.03935408760840 1.008 > 73 76 H 0.07669620368566 0.80274406808218 0.03935408760840 1.008 > 73 77 H 0.41002953701899 0.80274406808218 0.03935408760840 1.008 > 73 78 H 0.74336287035232 0.80274406808218 0.03935408760840 1.008 > 73 79 H 0.07669620368566 0.30274406808218 0.53935408760840 1.008 > 73 80 H 0.41002953701899 0.30274406808218 0.53935408760840 1.008 > 73 81 H 0.74336287035232 0.30274406808218 0.53935408760840 1.008 > 73 82 H 0.07669620368566 0.80274406808218 0.53935408760840 1.008 > 73 83 H 0.41002953701899 0.80274406808218 0.53935408760840 1.008 > 73 84 H 0.74336287035232 0.80274406808218 0.53935408760840 1.008 > 73 85 H 0.24336287035232 0.05274406808218 0.21064591239160 1.008 > 85 86 H 0.57669620368566 0.05274406808218 0.21064591239160 1.008 > 85 87 H 0.91002953701899 0.05274406808218 0.21064591239160 1.008 > 85 88 H 0.24336287035232 0.55274406808218 0.21064591239160 1.008 > 85 89 H 0.57669620368566 0.55274406808218 0.21064591239160 1.008 > 85 90 H 0.91002953701899 0.55274406808218 0.21064591239160 1.008 > 85 91 H 0.24336287035232 0.05274406808218 0.71064591239160 1.008 > 85 92 H 0.57669620368566 0.05274406808218 0.71064591239160 1.008 > 85 93 H 0.91002953701899 0.05274406808218 0.71064591239160 1.008 > 85 94 H 0.24336287035232 0.55274406808218 0.71064591239160 1.008 > 85 95 H 0.57669620368566 0.55274406808218 0.71064591239160 1.008 > 85 96 H 0.91002953701899 0.55274406808218 0.71064591239160 1.008 > 85 97 H 0.25663712964768 0.30274406808218 0.21064591239160 1.008 > 97 98 H 0.58997046298101 0.30274406808218 0.21064591239160 1.008 > 97 99 H 0.92330379631434 0.30274406808218 0.21064591239160 1.008 > 97 100 H 0.25663712964768 0.80274406808218 0.21064591239160 1.008 > 97 101 H 0.58997046298101 0.80274406808218 0.21064591239160 1.008 > 97 102 H 0.92330379631434 0.80274406808218 0.21064591239160 1.008 > 97 103 H 0.25663712964768 0.30274406808218 0.71064591239160 1.008 > 97 104 H 0.58997046298101 0.30274406808218 0.71064591239160 1.008 > 97 105 H 0.92330379631434 0.30274406808218 0.71064591239160 1.008 > 97 106 H 0.25663712964768 0.80274406808218 0.71064591239160 1.008 > 97 107 H 0.58997046298101 0.80274406808218 0.71064591239160 1.008 > 97 108 H 0.92330379631434 0.80274406808218 0.71064591239160 1.008 > 97 109 H 0.08997046298101 0.05274406808218 0.03935408760840 1.008 > 109 110 H 0.42330379631434 0.05274406808218 0.03935408760840 1.008 > 109 111 H 0.75663712964768 0.05274406808218 0.03935408760840 1.008 > 109 112 H 0.08997046298101 0.55274406808218 0.03935408760840 1.008 > 109 113 H 0.42330379631434 0.55274406808218 0.03935408760840 1.008 > 109 114 H 0.75663712964768 0.55274406808218 0.03935408760840 1.008 > 109 115 H 0.08997046298101 0.05274406808218 0.53935408760840 1.008 > 109 116 H 0.42330379631434 0.05274406808218 0.53935408760840 1.008 > 109 117 H 0.75663712964768 0.05274406808218 0.53935408760840 1.008 > 109 118 H 0.08997046298101 0.55274406808218 0.53935408760840 1.008 > 109 119 H 0.42330379631434 0.55274406808218 0.53935408760840 1.008 > 109 120 H 0.75663712964768 0.55274406808218 0.53935408760840 1.008 > 109 121 H 0.08997046298101 0.44725593191782 0.28935408760840 1.008 > 121 122 H 0.42330379631434 0.44725593191782 0.28935408760840 1.008 > 121 123 H 0.75663712964768 0.44725593191782 0.28935408760840 1.008 > 121 124 H 0.08997046298101 0.94725593191782 0.28935408760840 1.008 > 121 125 H 0.42330379631434 0.94725593191782 0.28935408760840 1.008 > 121 126 H 0.75663712964768 0.94725593191782 0.28935408760840 1.008 > 121 127 H 0.08997046298101 0.44725593191782 0.78935408760840 1.008 > 121 128 H 0.42330379631434 0.44725593191782 0.78935408760840 1.008 > 121 129 H 0.75663712964768 0.44725593191782 0.78935408760840 1.008 > 121 130 H 0.08997046298101 0.94725593191782 0.78935408760840 1.008 > 121 131 H 0.42330379631434 0.94725593191782 0.78935408760840 1.008 > 121 132 H 0.75663712964768 0.94725593191782 0.78935408760840 1.008 > 121 133 H 0.24336287035232 0.44725593191782 0.46064591239160 1.008 > 133 134 H 0.57669620368566 0.44725593191782 0.46064591239160 1.008 > 133 135 H 0.91002953701899 0.44725593191782 0.46064591239160 1.008 > 133 136 H 0.24336287035232 0.94725593191782 0.46064591239160 1.008 > 133 137 H 0.57669620368566 0.94725593191782 0.46064591239160 1.008 > 133 138 H 0.91002953701899 0.94725593191782 0.46064591239160 1.008 > 133 139 H 0.24336287035232 0.44725593191782 0.96064591239160 1.008 > 133 140 H 0.57669620368566 0.44725593191782 0.96064591239160 1.008 > 133 141 H 0.91002953701899 0.44725593191782 0.96064591239160 1.008 > 133 142 H 0.24336287035232 0.94725593191782 0.96064591239160 1.008 > 133 143 H 0.57669620368566 0.94725593191782 0.96064591239160 1.008 > 133 144 H 0.91002953701899 0.94725593191782 0.96064591239160 1.008 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3292392 0.0000000 0.0000000 0.0000000 4.3402588 0.0000000 0.0000000 0.0000000 4.3062816 -------------------------- Born effective charges -------------------------- 1 Mg 1.8399269 0.0000000 0.0599982 0.0000000 1.9225236 0.0000000 0.0253004 0.0000000 1.9235253 2 Mg 1.8399269 0.0000000 -0.0599982 0.0000000 1.9225236 0.0000000 -0.0253004 0.0000000 1.9235253 3 Mg 1.8399269 0.0000000 0.0599982 0.0000000 1.9225236 0.0000000 0.0253004 0.0000000 1.9235253 4 Mg 1.8399269 0.0000000 -0.0599982 0.0000000 1.9225236 0.0000000 -0.0253004 0.0000000 1.9235253 5 H -0.9199635 0.1622149 -0.1147151 0.1752429 -0.9612618 -0.0210863 -0.1060316 -0.0166268 -0.9617627 6 H -0.9199635 -0.1622149 -0.1147151 -0.1752429 -0.9612618 0.0210863 -0.1060316 0.0166268 -0.9617627 7 H -0.9199635 -0.1622149 -0.1147151 -0.1752429 -0.9612618 0.0210863 -0.1060316 0.0166268 -0.9617627 8 H -0.9199635 -0.1622149 0.1147151 -0.1752429 -0.9612618 -0.0210863 0.1060316 -0.0166268 -0.9617627 9 H -0.9199635 0.1622149 -0.1147151 0.1752429 -0.9612618 -0.0210863 -0.1060316 -0.0166268 -0.9617627 10 H -0.9199635 0.1622149 0.1147151 0.1752429 -0.9612618 0.0210863 0.1060316 0.0166268 -0.9617627 11 H -0.9199635 -0.1622149 0.1147151 -0.1752429 -0.9612618 -0.0210863 0.1060316 -0.0166268 -0.9617627 12 H -0.9199635 0.1622149 0.1147151 0.1752429 -0.9612618 0.0210863 0.1060316 0.0166268 -0.9617627 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yzz) -0.00000000 (yzz) -0.00000000 (yzz) 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 2026-01-08 18:24:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:24:35]------------------------- 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 4.472315610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.384200489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.887897330000000 Atomic positions (fractional): 1 Mg 0.50000000000000 0.82979710557188 0.25000000000000 24.305 2 Mg 0.00000000000000 0.32979710557188 0.25000000000000 24.305 3 Mg 0.50000000000000 0.17020289442813 0.75000000000000 24.305 4 Mg 0.00000000000000 0.67020289442812 0.75000000000000 24.305 5 H 0.23008861105697 0.39451186383563 0.57870817521680 1.008 6 H 0.76991138894303 0.39451186383563 0.92129182478320 1.008 7 H 0.23008861105697 0.60548813616437 0.07870817521680 1.008 8 H 0.73008861105697 0.10548813616437 0.42129182478320 1.008 9 H 0.76991138894303 0.60548813616437 0.42129182478320 1.008 10 H 0.26991138894303 0.10548813616437 0.07870817521680 1.008 11 H 0.26991138894303 0.89451186383563 0.57870817521680 1.008 12 H 0.73008861105697 0.89451186383563 0.92129182478320 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.416946830000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.768400979999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775794660000001 Atomic positions (fractional): 1 Mg 0.16666666666667 0.41489855278594 0.12500000000000 24.305 > 1 2 Mg 0.50000000000000 0.41489855278594 0.12500000000000 24.305 > 1 3 Mg 0.83333333333333 0.41489855278594 0.12500000000000 24.305 > 1 4 Mg 0.16666666666667 0.91489855278594 0.12500000000000 24.305 > 1 5 Mg 0.50000000000000 0.91489855278594 0.12500000000000 24.305 > 1 6 Mg 0.83333333333333 0.91489855278594 0.12500000000000 24.305 > 1 7 Mg 0.16666666666667 0.41489855278594 0.62500000000000 24.305 > 1 8 Mg 0.50000000000000 0.41489855278594 0.62500000000000 24.305 > 1 9 Mg 0.83333333333333 0.41489855278594 0.62500000000000 24.305 > 1 10 Mg 0.16666666666667 0.91489855278594 0.62500000000000 24.305 > 1 11 Mg 0.50000000000000 0.91489855278594 0.62500000000000 24.305 > 1 12 Mg 0.83333333333333 0.91489855278594 0.62500000000000 24.305 > 1 13 Mg 0.00000000000000 0.16489855278594 0.12500000000000 24.305 > 13 14 Mg 0.33333333333333 0.16489855278594 0.12500000000000 24.305 > 13 15 Mg 0.66666666666667 0.16489855278594 0.12500000000000 24.305 > 13 16 Mg 0.00000000000000 0.66489855278594 0.12500000000000 24.305 > 13 17 Mg 0.33333333333333 0.66489855278594 0.12500000000000 24.305 > 13 18 Mg 0.66666666666667 0.66489855278594 0.12500000000000 24.305 > 13 19 Mg 0.00000000000000 0.16489855278594 0.62500000000000 24.305 > 13 20 Mg 0.33333333333333 0.16489855278594 0.62500000000000 24.305 > 13 21 Mg 0.66666666666667 0.16489855278594 0.62500000000000 24.305 > 13 22 Mg 0.00000000000000 0.66489855278594 0.62500000000000 24.305 > 13 23 Mg 0.33333333333333 0.66489855278594 0.62500000000000 24.305 > 13 24 Mg 0.66666666666667 0.66489855278594 0.62500000000000 24.305 > 13 25 Mg 0.16666666666667 0.08510144721406 0.37500000000000 24.305 > 25 26 Mg 0.50000000000000 0.08510144721406 0.37500000000000 24.305 > 25 27 Mg 0.83333333333333 0.08510144721406 0.37500000000000 24.305 > 25 28 Mg 0.16666666666667 0.58510144721406 0.37500000000000 24.305 > 25 29 Mg 0.50000000000000 0.58510144721406 0.37500000000000 24.305 > 25 30 Mg 0.83333333333333 0.58510144721406 0.37500000000000 24.305 > 25 31 Mg 0.16666666666667 0.08510144721406 0.87500000000000 24.305 > 25 32 Mg 0.50000000000000 0.08510144721406 0.87500000000000 24.305 > 25 33 Mg 0.83333333333333 0.08510144721406 0.87500000000000 24.305 > 25 34 Mg 0.16666666666667 0.58510144721406 0.87500000000000 24.305 > 25 35 Mg 0.50000000000000 0.58510144721406 0.87500000000000 24.305 > 25 36 Mg 0.83333333333333 0.58510144721406 0.87500000000000 24.305 > 25 37 Mg 0.00000000000000 0.33510144721406 0.37500000000000 24.305 > 37 38 Mg 0.33333333333333 0.33510144721406 0.37500000000000 24.305 > 37 39 Mg 0.66666666666667 0.33510144721406 0.37500000000000 24.305 > 37 40 Mg 0.00000000000000 0.83510144721406 0.37500000000000 24.305 > 37 41 Mg 0.33333333333333 0.83510144721406 0.37500000000000 24.305 > 37 42 Mg 0.66666666666667 0.83510144721406 0.37500000000000 24.305 > 37 43 Mg 0.00000000000000 0.33510144721406 0.87500000000000 24.305 > 37 44 Mg 0.33333333333333 0.33510144721406 0.87500000000000 24.305 > 37 45 Mg 0.66666666666667 0.33510144721406 0.87500000000000 24.305 > 37 46 Mg 0.00000000000000 0.83510144721406 0.87500000000000 24.305 > 37 47 Mg 0.33333333333333 0.83510144721406 0.87500000000000 24.305 > 37 48 Mg 0.66666666666667 0.83510144721406 0.87500000000000 24.305 > 37 49 H 0.07669620368566 0.19725593191782 0.28935408760840 1.008 > 49 50 H 0.41002953701899 0.19725593191782 0.28935408760840 1.008 > 49 51 H 0.74336287035232 0.19725593191782 0.28935408760840 1.008 > 49 52 H 0.07669620368566 0.69725593191782 0.28935408760840 1.008 > 49 53 H 0.41002953701899 0.69725593191782 0.28935408760840 1.008 > 49 54 H 0.74336287035232 0.69725593191782 0.28935408760840 1.008 > 49 55 H 0.07669620368566 0.19725593191782 0.78935408760840 1.008 > 49 56 H 0.41002953701899 0.19725593191782 0.78935408760840 1.008 > 49 57 H 0.74336287035232 0.19725593191782 0.78935408760840 1.008 > 49 58 H 0.07669620368566 0.69725593191782 0.78935408760840 1.008 > 49 59 H 0.41002953701899 0.69725593191782 0.78935408760840 1.008 > 49 60 H 0.74336287035232 0.69725593191782 0.78935408760840 1.008 > 49 61 H 0.25663712964768 0.19725593191782 0.46064591239160 1.008 > 61 62 H 0.58997046298101 0.19725593191782 0.46064591239160 1.008 > 61 63 H 0.92330379631434 0.19725593191782 0.46064591239160 1.008 > 61 64 H 0.25663712964768 0.69725593191782 0.46064591239160 1.008 > 61 65 H 0.58997046298101 0.69725593191782 0.46064591239160 1.008 > 61 66 H 0.92330379631434 0.69725593191782 0.46064591239160 1.008 > 61 67 H 0.25663712964768 0.19725593191782 0.96064591239160 1.008 > 61 68 H 0.58997046298101 0.19725593191782 0.96064591239160 1.008 > 61 69 H 0.92330379631434 0.19725593191782 0.96064591239160 1.008 > 61 70 H 0.25663712964768 0.69725593191782 0.96064591239160 1.008 > 61 71 H 0.58997046298101 0.69725593191782 0.96064591239160 1.008 > 61 72 H 0.92330379631434 0.69725593191782 0.96064591239160 1.008 > 61 73 H 0.07669620368566 0.30274406808218 0.03935408760840 1.008 > 73 74 H 0.41002953701899 0.30274406808218 0.03935408760840 1.008 > 73 75 H 0.74336287035232 0.30274406808218 0.03935408760840 1.008 > 73 76 H 0.07669620368566 0.80274406808218 0.03935408760840 1.008 > 73 77 H 0.41002953701899 0.80274406808218 0.03935408760840 1.008 > 73 78 H 0.74336287035232 0.80274406808218 0.03935408760840 1.008 > 73 79 H 0.07669620368566 0.30274406808218 0.53935408760840 1.008 > 73 80 H 0.41002953701899 0.30274406808218 0.53935408760840 1.008 > 73 81 H 0.74336287035232 0.30274406808218 0.53935408760840 1.008 > 73 82 H 0.07669620368566 0.80274406808218 0.53935408760840 1.008 > 73 83 H 0.41002953701899 0.80274406808218 0.53935408760840 1.008 > 73 84 H 0.74336287035232 0.80274406808218 0.53935408760840 1.008 > 73 85 H 0.24336287035232 0.05274406808218 0.21064591239160 1.008 > 85 86 H 0.57669620368566 0.05274406808218 0.21064591239160 1.008 > 85 87 H 0.91002953701899 0.05274406808218 0.21064591239160 1.008 > 85 88 H 0.24336287035232 0.55274406808218 0.21064591239160 1.008 > 85 89 H 0.57669620368566 0.55274406808218 0.21064591239160 1.008 > 85 90 H 0.91002953701899 0.55274406808218 0.21064591239160 1.008 > 85 91 H 0.24336287035232 0.05274406808218 0.71064591239160 1.008 > 85 92 H 0.57669620368566 0.05274406808218 0.71064591239160 1.008 > 85 93 H 0.91002953701899 0.05274406808218 0.71064591239160 1.008 > 85 94 H 0.24336287035232 0.55274406808218 0.71064591239160 1.008 > 85 95 H 0.57669620368566 0.55274406808218 0.71064591239160 1.008 > 85 96 H 0.91002953701899 0.55274406808218 0.71064591239160 1.008 > 85 97 H 0.25663712964768 0.30274406808218 0.21064591239160 1.008 > 97 98 H 0.58997046298101 0.30274406808218 0.21064591239160 1.008 > 97 99 H 0.92330379631434 0.30274406808218 0.21064591239160 1.008 > 97 100 H 0.25663712964768 0.80274406808218 0.21064591239160 1.008 > 97 101 H 0.58997046298101 0.80274406808218 0.21064591239160 1.008 > 97 102 H 0.92330379631434 0.80274406808218 0.21064591239160 1.008 > 97 103 H 0.25663712964768 0.30274406808218 0.71064591239160 1.008 > 97 104 H 0.58997046298101 0.30274406808218 0.71064591239160 1.008 > 97 105 H 0.92330379631434 0.30274406808218 0.71064591239160 1.008 > 97 106 H 0.25663712964768 0.80274406808218 0.71064591239160 1.008 > 97 107 H 0.58997046298101 0.80274406808218 0.71064591239160 1.008 > 97 108 H 0.92330379631434 0.80274406808218 0.71064591239160 1.008 > 97 109 H 0.08997046298101 0.05274406808218 0.03935408760840 1.008 > 109 110 H 0.42330379631434 0.05274406808218 0.03935408760840 1.008 > 109 111 H 0.75663712964768 0.05274406808218 0.03935408760840 1.008 > 109 112 H 0.08997046298101 0.55274406808218 0.03935408760840 1.008 > 109 113 H 0.42330379631434 0.55274406808218 0.03935408760840 1.008 > 109 114 H 0.75663712964768 0.55274406808218 0.03935408760840 1.008 > 109 115 H 0.08997046298101 0.05274406808218 0.53935408760840 1.008 > 109 116 H 0.42330379631434 0.05274406808218 0.53935408760840 1.008 > 109 117 H 0.75663712964768 0.05274406808218 0.53935408760840 1.008 > 109 118 H 0.08997046298101 0.55274406808218 0.53935408760840 1.008 > 109 119 H 0.42330379631434 0.55274406808218 0.53935408760840 1.008 > 109 120 H 0.75663712964768 0.55274406808218 0.53935408760840 1.008 > 109 121 H 0.08997046298101 0.44725593191782 0.28935408760840 1.008 > 121 122 H 0.42330379631434 0.44725593191782 0.28935408760840 1.008 > 121 123 H 0.75663712964768 0.44725593191782 0.28935408760840 1.008 > 121 124 H 0.08997046298101 0.94725593191782 0.28935408760840 1.008 > 121 125 H 0.42330379631434 0.94725593191782 0.28935408760840 1.008 > 121 126 H 0.75663712964768 0.94725593191782 0.28935408760840 1.008 > 121 127 H 0.08997046298101 0.44725593191782 0.78935408760840 1.008 > 121 128 H 0.42330379631434 0.44725593191782 0.78935408760840 1.008 > 121 129 H 0.75663712964768 0.44725593191782 0.78935408760840 1.008 > 121 130 H 0.08997046298101 0.94725593191782 0.78935408760840 1.008 > 121 131 H 0.42330379631434 0.94725593191782 0.78935408760840 1.008 > 121 132 H 0.75663712964768 0.94725593191782 0.78935408760840 1.008 > 121 133 H 0.24336287035232 0.44725593191782 0.46064591239160 1.008 > 133 134 H 0.57669620368566 0.44725593191782 0.46064591239160 1.008 > 133 135 H 0.91002953701899 0.44725593191782 0.46064591239160 1.008 > 133 136 H 0.24336287035232 0.94725593191782 0.46064591239160 1.008 > 133 137 H 0.57669620368566 0.94725593191782 0.46064591239160 1.008 > 133 138 H 0.91002953701899 0.94725593191782 0.46064591239160 1.008 > 133 139 H 0.24336287035232 0.44725593191782 0.96064591239160 1.008 > 133 140 H 0.57669620368566 0.44725593191782 0.96064591239160 1.008 > 133 141 H 0.91002953701899 0.44725593191782 0.96064591239160 1.008 > 133 142 H 0.24336287035232 0.94725593191782 0.96064591239160 1.008 > 133 143 H 0.57669620368566 0.94725593191782 0.96064591239160 1.008 > 133 144 H 0.91002953701899 0.94725593191782 0.96064591239160 1.008 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3292392 0.0000000 0.0000000 0.0000000 4.3402588 0.0000000 0.0000000 0.0000000 4.3062816 -------------------------- Born effective charges -------------------------- 1 Mg 1.8399269 0.0000000 0.0599982 0.0000000 1.9225236 0.0000000 0.0253004 0.0000000 1.9235253 2 Mg 1.8399269 0.0000000 -0.0599982 0.0000000 1.9225236 0.0000000 -0.0253004 0.0000000 1.9235253 3 Mg 1.8399269 0.0000000 0.0599982 0.0000000 1.9225236 0.0000000 0.0253004 0.0000000 1.9235253 4 Mg 1.8399269 0.0000000 -0.0599982 0.0000000 1.9225236 0.0000000 -0.0253004 0.0000000 1.9235253 5 H -0.9199635 0.1622149 -0.1147151 0.1752429 -0.9612618 -0.0210863 -0.1060316 -0.0166268 -0.9617627 6 H -0.9199635 -0.1622149 -0.1147151 -0.1752429 -0.9612618 0.0210863 -0.1060316 0.0166268 -0.9617627 7 H -0.9199635 -0.1622149 -0.1147151 -0.1752429 -0.9612618 0.0210863 -0.1060316 0.0166268 -0.9617627 8 H -0.9199635 -0.1622149 0.1147151 -0.1752429 -0.9612618 -0.0210863 0.1060316 -0.0166268 -0.9617627 9 H -0.9199635 0.1622149 -0.1147151 0.1752429 -0.9612618 -0.0210863 -0.1060316 -0.0166268 -0.9617627 10 H -0.9199635 0.1622149 0.1147151 0.1752429 -0.9612618 0.0210863 0.1060316 0.0166268 -0.9617627 11 H -0.9199635 -0.1622149 0.1147151 -0.1752429 -0.9612618 -0.0210863 0.1060316 -0.0166268 -0.9617627 12 H -0.9199635 0.1622149 0.1147151 0.1752429 -0.9612618 0.0210863 0.1060316 0.0166268 -0.9617627 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzz) -0.00000000 (yzz) -0.00000000 (yzz) 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: 0.85, Number of G-points: 295, Lambda: 0.18 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: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 5.339 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.307 ( 0.000 0.000 0.000) 0.000 7.967 ( 0.000 0.000 0.000) 0.000 9.294 ( 0.000 0.000 0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 13.402 ( 0.000 0.000 0.000) 0.000 13.676 ( 0.000 0.000 0.000) 0.000 14.481 ( 0.000 0.000 0.000) 0.000 16.053 ( 0.000 0.000 0.000) 0.000 18.067 ( 0.000 0.000 0.000) 0.000 18.525 ( 0.000 0.000 0.000) 0.000 19.269 ( 0.000 0.000 0.000) 0.000 22.804 ( 0.000 0.000 0.000) 0.000 26.186 ( 0.000 0.000 0.000) 0.000 28.826 ( 0.000 0.000 0.000) 0.000 30.642 ( 0.000 0.000 0.000) 0.000 31.000 ( 0.000 0.000 0.000) 0.000 31.566 ( 0.000 0.000 0.000) 0.000 31.626 ( 0.000 0.000 0.000) 0.000 31.733 ( 0.000 0.000 0.000) 0.000 33.977 ( 0.000 0.000 0.000) 0.000 34.226 ( 0.000 0.000 0.000) 0.000 36.140 ( 0.000 0.000 0.000) 0.000 38.465 ( 0.000 0.000 0.000) 0.000 39.370 ( 0.000 0.000 0.000) 0.000 40.560 ( 0.000 0.000 0.000) 0.000 40.668 ( 0.000 0.000 0.000) 0.000 41.850 ( 0.000 0.000 0.000) 0.000 43.847 ( 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: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 48.838 0.000 0.000) 48.838 1.032 ( 50.216 0.000 0.000) 50.216 1.470 ( 71.257 0.000 0.000) 71.257 5.358 ( 1.719 0.000 0.000) 1.719 5.512 ( 3.320 0.000 0.000) 3.320 6.080 ( 3.046 0.000 0.000) 3.046 6.718 ( -1.578 0.000 0.000) 1.578 7.245 ( -6.054 0.000 0.000) 6.054 7.294 ( 5.445 0.000 0.000) 5.445 7.997 ( 2.484 0.000 0.000) 2.484 9.213 ( -7.864 0.000 0.000) 7.864 9.884 ( -1.189 0.000 0.000) 1.189 13.525 ( 11.962 0.000 0.000) 11.962 14.398 ( -7.492 0.000 0.000) 7.492 15.964 ( -8.679 0.000 0.000) 8.679 17.979 ( -8.398 0.000 0.000) 8.398 18.694 ( 15.754 0.000 0.000) 15.754 19.324 ( 5.415 0.000 0.000) 5.415 19.361 ( 10.710 0.000 0.000) 10.710 22.745 ( -5.736 0.000 0.000) 5.736 26.245 ( 5.685 0.000 0.000) 5.685 28.770 ( -5.407 0.000 0.000) 5.407 30.688 ( 4.397 0.000 0.000) 4.397 31.397 ( -14.374 0.000 0.000) 14.374 31.683 ( -3.284 0.000 0.000) 3.284 31.690 ( 6.290 0.000 0.000) 6.290 31.724 ( -0.923 0.000 0.000) 0.923 34.187 ( -3.741 0.000 0.000) 3.741 34.288 ( 28.274 0.000 0.000) 28.274 38.171 ( -25.265 0.000 0.000) 25.265 39.138 ( -21.337 0.000 0.000) 21.337 40.448 ( -18.433 0.000 0.000) 18.433 40.834 ( 23.332 0.000 0.000) 23.332 41.866 ( 16.190 0.000 0.000) 16.190 41.988 ( 12.091 0.000 0.000) 12.091 43.822 ( -2.444 0.000 0.000) 2.444 ======================= Grid point 2 (3/180) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 45.899 0.000 0.000) 45.899 2.031 ( 47.787 0.000 0.000) 47.787 2.876 ( 66.495 0.000 0.000) 66.495 5.401 ( 2.215 0.000 0.000) 2.215 5.585 ( 2.904 0.000 0.000) 2.904 6.157 ( 4.081 0.000 0.000) 4.081 6.694 ( 0.109 0.000 0.000) 0.109 7.068 ( -11.072 0.000 0.000) 11.072 7.467 ( 11.662 0.000 0.000) 11.662 8.034 ( 0.213 0.000 0.000) 0.213 8.981 ( -14.799 0.000 0.000) 14.799 9.836 ( -3.893 0.000 0.000) 3.893 13.877 ( 22.238 0.000 0.000) 22.238 14.218 ( -9.026 0.000 0.000) 9.026 15.710 ( -15.991 0.000 0.000) 15.991 17.737 ( -15.187 0.000 0.000) 15.187 19.108 ( 23.278 0.000 0.000) 23.278 19.483 ( 9.997 0.000 0.000) 9.997 19.664 ( 18.483 0.000 0.000) 18.483 22.575 ( -10.873 0.000 0.000) 10.873 26.412 ( 10.539 0.000 0.000) 10.539 28.609 ( -10.307 0.000 0.000) 10.307 30.811 ( 7.462 0.000 0.000) 7.462 31.080 ( -15.079 0.000 0.000) 15.079 31.582 ( -6.671 0.000 0.000) 6.671 31.696 ( -1.791 0.000 0.000) 1.791 31.882 ( 12.577 0.000 0.000) 12.577 34.080 ( -6.561 0.000 0.000) 6.561 35.019 ( 41.512 0.000 0.000) 41.512 37.581 ( -30.383 0.000 0.000) 30.383 38.581 ( -31.719 0.000 0.000) 31.719 40.013 ( -23.231 0.000 0.000) 23.231 41.372 ( 27.443 0.000 0.000) 27.443 42.228 ( 18.197 0.000 0.000) 18.197 42.271 ( 14.379 0.000 0.000) 14.379 43.750 ( -4.554 0.000 0.000) 4.554 ======================= Grid point 3 (4/180) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 41.482 0.000 0.000) 41.482 2.964 ( 43.797 0.000 0.000) 43.797 4.149 ( 57.855 0.000 0.000) 57.855 5.427 ( -0.328 0.000 0.000) 0.328 5.588 ( -3.002 0.000 0.000) 3.002 6.233 ( 3.171 0.000 0.000) 3.171 6.765 ( 7.640 0.000 0.000) 7.640 6.811 ( -13.551 0.000 0.000) 13.551 7.768 ( 17.831 0.000 0.000) 17.831 7.967 ( -7.744 0.000 0.000) 7.744 8.625 ( -19.734 0.000 0.000) 19.734 9.710 ( -8.905 0.000 0.000) 8.905 14.072 ( -4.580 0.000 0.000) 4.580 14.406 ( 29.203 0.000 0.000) 29.203 15.334 ( -20.398 0.000 0.000) 20.398 17.369 ( -20.934 0.000 0.000) 20.934 19.579 ( 21.748 0.000 0.000) 21.748 19.715 ( 12.242 0.000 0.000) 12.242 20.091 ( 23.093 0.000 0.000) 23.093 22.309 ( -15.177 0.000 0.000) 15.177 26.664 ( 14.109 0.000 0.000) 14.109 28.358 ( -14.216 0.000 0.000) 14.216 30.830 ( -8.870 0.000 0.000) 8.870 30.979 ( 8.749 0.000 0.000) 8.749 31.414 ( -9.734 0.000 0.000) 9.734 31.650 ( -2.851 0.000 0.000) 2.851 32.196 ( 18.126 0.000 0.000) 18.126 33.926 ( -8.558 0.000 0.000) 8.558 35.912 ( 45.173 0.000 0.000) 45.173 37.002 ( -25.306 0.000 0.000) 25.306 37.904 ( -33.784 0.000 0.000) 33.784 39.520 ( -25.255 0.000 0.000) 25.255 41.899 ( 23.665 0.000 0.000) 23.665 42.533 ( 10.731 0.000 0.000) 10.731 42.581 ( 16.275 0.000 0.000) 16.275 43.640 ( -6.196 0.000 0.000) 6.196 ======================= Grid point 4 (5/180) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.652 ( 36.027 0.000 0.000) 36.027 3.801 ( 38.346 0.000 0.000) 38.346 5.047 ( 15.307 0.000 0.000) 15.307 5.348 ( -8.553 0.000 0.000) 8.553 5.620 ( 21.325 0.000 0.000) 21.325 6.284 ( 1.949 0.000 0.000) 1.949 6.551 ( -11.107 0.000 0.000) 11.107 7.007 ( 15.679 0.000 0.000) 15.679 7.688 ( -20.206 0.000 0.000) 20.206 8.179 ( 22.071 0.000 0.000) 22.071 8.204 ( -21.008 0.000 0.000) 21.008 9.464 ( -15.289 0.000 0.000) 15.289 14.055 ( 3.237 0.000 0.000) 3.237 14.907 ( -20.980 0.000 0.000) 20.980 15.037 ( 32.250 0.000 0.000) 32.250 16.892 ( -25.837 0.000 0.000) 25.837 19.950 ( 14.107 0.000 0.000) 14.107 19.956 ( 10.732 0.000 0.000) 10.732 20.582 ( 24.759 0.000 0.000) 24.759 21.963 ( -18.775 0.000 0.000) 18.775 26.977 ( 16.402 0.000 0.000) 16.402 28.041 ( -16.763 0.000 0.000) 16.763 30.732 ( -0.772 0.000 0.000) 0.772 31.158 ( 8.686 0.000 0.000) 8.686 31.195 ( -11.419 0.000 0.000) 11.419 31.577 ( -4.395 0.000 0.000) 4.395 32.604 ( 21.463 0.000 0.000) 21.463 33.725 ( -11.640 0.000 0.000) 11.640 36.599 ( -13.255 0.000 0.000) 13.255 36.818 ( 43.235 0.000 0.000) 43.235 37.249 ( -29.670 0.000 0.000) 29.670 38.981 ( -28.042 0.000 0.000) 28.042 42.316 ( 17.198 0.000 0.000) 17.198 42.692 ( 4.667 0.000 0.000) 4.667 42.884 ( 13.497 0.000 0.000) 13.497 43.500 ( -7.538 0.000 0.000) 7.538 ======================= Grid point 5 (6/180) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.322 ( 29.711 0.000 0.000) 29.711 4.511 ( 31.174 0.000 0.000) 31.174 4.848 ( -21.378 0.000 0.000) 21.378 5.048 ( -21.045 0.000 0.000) 21.045 6.321 ( 1.993 0.000 0.000) 1.993 6.386 ( -5.129 0.000 0.000) 5.129 6.389 ( 41.021 0.000 0.000) 41.021 7.146 ( -32.630 0.000 0.000) 32.630 7.373 ( 19.597 0.000 0.000) 19.597 7.783 ( -20.483 0.000 0.000) 20.483 8.644 ( 23.139 0.000 0.000) 23.139 9.095 ( -20.676 0.000 0.000) 20.676 14.206 ( 11.435 0.000 0.000) 11.435 14.507 ( -17.767 0.000 0.000) 17.767 15.695 ( 32.059 0.000 0.000) 32.059 16.325 ( -29.679 0.000 0.000) 29.679 20.122 ( 5.002 0.000 0.000) 5.002 20.136 ( 4.056 0.000 0.000) 4.056 21.082 ( 24.044 0.000 0.000) 24.044 21.550 ( -21.811 0.000 0.000) 21.811 27.324 ( 17.639 0.000 0.000) 17.639 27.687 ( -17.841 0.000 0.000) 17.841 30.791 ( 6.279 0.000 0.000) 6.279 30.967 ( -10.496 0.000 0.000) 10.496 31.326 ( 7.757 0.000 0.000) 7.757 31.469 ( -6.213 0.000 0.000) 6.213 33.044 ( 21.153 0.000 0.000) 21.153 33.436 ( -16.930 0.000 0.000) 16.930 36.497 ( 3.661 0.000 0.000) 3.661 36.739 ( -19.442 0.000 0.000) 19.442 37.649 ( 38.234 0.000 0.000) 38.234 38.368 ( -32.563 0.000 0.000) 32.563 42.592 ( 9.840 0.000 0.000) 9.840 42.716 ( -2.391 0.000 0.000) 2.391 43.131 ( 10.933 0.000 0.000) 10.933 43.333 ( -8.982 0.000 0.000) 8.982 ======================= Grid point 11 (7/180) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.000 43.728 0.000) 43.728 1.015 ( 0.000 48.064 0.000) 48.064 1.534 ( 0.000 73.071 0.000) 73.071 5.279 ( 0.000 -5.786 0.000) 5.786 5.595 ( 0.000 11.386 0.000) 11.386 6.027 ( 0.000 -5.459 0.000) 5.459 6.453 ( 0.000 -14.147 0.000) 14.147 7.238 ( 0.000 -6.699 0.000) 6.699 7.573 ( 0.000 23.033 0.000) 23.033 7.928 ( 0.000 -3.724 0.000) 3.724 9.186 ( 0.000 -10.463 0.000) 10.463 9.909 ( 0.000 0.656 0.000) 0.656 13.417 ( 0.000 1.982 0.000) 1.982 13.714 ( 0.000 3.443 0.000) 3.443 14.721 ( 0.000 22.498 0.000) 22.498 18.055 ( 0.000 -1.002 0.000) 1.002 18.498 ( 0.000 -2.567 0.000) 2.567 19.194 ( 0.000 -7.354 0.000) 7.354 20.930 ( 0.000 7.764 0.000) 7.764 22.755 ( 0.000 -4.752 0.000) 4.752 26.364 ( 0.000 16.798 0.000) 16.798 28.883 ( 0.000 5.548 0.000) 5.548 30.697 ( 0.000 -23.129 0.000) 23.129 31.428 ( 0.000 -12.761 0.000) 12.761 31.739 ( 0.000 0.821 0.000) 0.821 31.853 ( 0.000 15.700 0.000) 15.700 34.066 ( 0.000 8.202 0.000) 8.202 34.358 ( 0.000 12.128 0.000) 12.128 36.064 ( 0.000 -7.233 0.000) 7.233 36.520 ( 0.000 -3.703 0.000) 3.703 38.483 ( 0.000 1.754 0.000) 1.754 40.294 ( 0.000 -23.627 0.000) 23.627 40.579 ( 0.000 1.831 0.000) 1.831 41.422 ( 0.000 24.183 0.000) 24.183 41.794 ( 0.000 -5.337 0.000) 5.337 43.803 ( 0.000 -4.243 0.000) 4.243 ======================= Grid point 12 (8/180) ======================= q-point: ( 0.09 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 24.048 25.948 0.000) 35.378 1.351 ( 35.492 28.757 0.000) 45.680 2.305 ( 53.163 54.063 0.000) 75.823 5.297 ( 1.649 -5.834 0.000) 6.063 5.603 ( 0.591 8.779 0.000) 8.799 6.078 ( 4.340 -5.536 0.000) 7.035 6.477 ( 2.361 -10.114 0.000) 10.385 7.173 ( -6.260 -6.930 0.000) 9.339 7.612 ( 3.332 21.980 0.000) 22.231 7.962 ( 2.836 -3.380 0.000) 4.412 9.108 ( -7.485 -10.094 0.000) 12.566 9.895 ( -1.569 0.335 0.000) 1.604 13.551 ( 12.952 2.998 0.000) 13.294 14.626 ( -8.577 21.270 0.000) 22.934 14.732 ( 56.405 -44.538 0.000) 71.870 18.030 ( -1.880 -3.251 0.000) 3.756 18.668 ( 15.670 -2.512 0.000) 15.870 18.903 ( -21.519 -3.440 0.000) 21.792 20.681 ( -10.889 38.385 0.000) 39.900 22.698 ( -5.471 -4.507 0.000) 7.088 26.417 ( 5.194 16.329 0.000) 17.135 28.823 ( -5.684 5.327 0.000) 7.790 30.724 ( 2.743 -19.345 0.000) 19.538 31.275 ( -13.013 -11.195 0.000) 17.166 31.740 ( -0.271 1.391 0.000) 1.417 31.816 ( -3.930 18.647 0.000) 19.057 33.075 ( -85.354 81.439 0.000) 117.973 34.122 ( 0.137 0.028 0.000) 0.139 34.543 ( 22.006 17.792 0.000) 28.299 38.185 ( -25.566 1.394 0.000) 25.604 38.596 ( 28.911 -42.954 0.000) 51.778 40.087 ( -10.980 -31.663 0.000) 33.513 40.849 ( 22.965 1.508 0.000) 23.015 41.274 ( 4.696 -3.289 0.000) 5.733 42.345 ( 25.554 5.947 0.000) 26.237 43.780 ( -2.261 -4.056 0.000) 4.644 ======================= Grid point 13 (9/180) ======================= q-point: ( 0.18 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 43.765 -5.993 0.000) 44.174 2.151 ( 40.863 16.371 0.000) 44.020 3.435 ( 56.159 40.133 0.000) 69.025 5.336 ( 1.718 -6.354 0.000) 6.582 5.601 ( -1.440 2.381 0.000) 2.783 6.180 ( 5.212 -4.574 0.000) 6.934 6.562 ( 6.359 -2.091 0.000) 6.694 6.991 ( -11.315 -7.397 0.000) 13.519 7.718 ( 7.539 19.051 0.000) 20.488 8.010 ( 1.007 -2.309 0.000) 2.519 8.891 ( -13.670 -8.633 0.000) 16.168 9.835 ( -4.621 -0.608 0.000) 4.660 13.927 ( 23.219 5.472 0.000) 23.855 14.422 ( -10.001 18.584 0.000) 21.104 15.363 ( 8.138 -23.207 0.000) 24.592 17.939 ( -10.365 9.705 0.000) 14.199 18.652 ( 2.110 -28.547 0.000) 28.625 19.073 ( 22.439 -3.244 0.000) 22.672 20.632 ( 4.270 41.306 0.000) 41.526 22.538 ( -10.164 -3.612 0.000) 10.787 26.571 ( 9.709 15.064 0.000) 17.922 28.661 ( -10.127 5.072 0.000) 11.326 30.806 ( 4.968 -14.253 0.000) 15.094 30.984 ( -13.958 -8.897 0.000) 16.552 31.690 ( -7.571 23.078 0.000) 24.288 31.723 ( -1.306 2.358 0.000) 2.695 32.278 ( -9.976 29.733 0.000) 31.362 34.045 ( -6.482 -2.036 0.000) 6.794 35.195 ( 39.026 15.418 0.000) 41.961 37.589 ( -30.616 0.821 0.000) 30.627 38.428 ( -27.610 -13.831 0.000) 30.881 39.873 ( -13.761 -16.759 0.000) 21.685 41.374 ( 26.544 0.273 0.000) 26.545 41.569 ( 20.214 -25.531 0.000) 32.565 42.730 ( 14.392 14.001 0.000) 20.079 43.713 ( -4.183 -3.500 0.000) 5.454 ======================= Grid point 14 (10/180) ======================= q-point: ( 0.27 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 43.239 -16.228 0.000) 46.184 2.964 ( 38.462 9.502 0.000) 39.618 4.537 ( 50.836 29.234 0.000) 58.643 5.344 ( -1.677 -8.121 0.000) 8.292 5.527 ( -5.714 -3.963 0.000) 6.953 6.277 ( 4.267 -0.783 0.000) 4.338 6.734 ( -13.344 -7.346 0.000) 15.232 6.745 ( 11.727 3.518 0.000) 12.243 7.933 ( 13.720 13.757 0.000) 19.429 7.966 ( -6.079 -0.128 0.000) 6.080 8.564 ( -18.131 -5.962 0.000) 19.086 9.695 ( -9.408 -1.623 0.000) 9.547 14.205 ( -4.499 12.493 0.000) 13.278 14.525 ( 28.923 11.305 0.000) 31.054 15.258 ( -14.248 -5.459 0.000) 15.258 17.595 ( -21.588 19.055 0.000) 28.794 18.933 ( 20.844 -43.102 0.000) 47.878 19.515 ( 19.689 -5.916 0.000) 20.558 20.796 ( 11.020 35.550 0.000) 37.219 22.294 ( -13.573 -1.513 0.000) 13.657 26.805 ( 13.147 13.350 0.000) 18.737 28.417 ( -13.704 5.618 0.000) 14.811 30.750 ( -8.465 -7.598 0.000) 11.375 30.902 ( 3.651 -13.760 0.000) 14.236 31.550 ( -5.831 19.743 0.000) 20.586 31.689 ( -2.086 3.542 0.000) 4.111 32.310 ( 9.710 8.680 0.000) 13.024 33.882 ( -9.308 -3.475 0.000) 9.935 36.046 ( 43.158 12.014 0.000) 44.799 37.010 ( -24.919 0.934 0.000) 24.936 37.788 ( -32.739 -10.573 0.000) 34.404 39.511 ( -21.081 -2.308 0.000) 21.207 41.877 ( 22.172 -2.050 0.000) 22.267 41.981 ( 18.985 -27.569 0.000) 33.473 42.971 ( 9.665 14.290 0.000) 17.251 43.613 ( -5.533 -2.501 0.000) 6.072 ======================= Grid point 15 (11/180) ======================= q-point: ( 0.36 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( 38.182 -19.922 0.000) 43.067 3.696 ( 33.234 4.142 0.000) 33.492 5.190 ( -3.885 7.001 0.000) 8.007 5.230 ( -10.383 -11.193 0.000) 15.268 5.641 ( 32.960 4.786 0.000) 33.306 6.366 ( 5.633 6.170 0.000) 8.355 6.485 ( -10.300 -5.993 0.000) 11.917 7.031 ( 16.136 3.903 0.000) 16.602 7.737 ( -16.946 4.187 0.000) 17.456 8.173 ( -19.790 -3.178 0.000) 20.043 8.268 ( 18.903 8.036 0.000) 20.540 9.447 ( -14.966 -1.650 0.000) 15.056 14.157 ( 1.194 9.695 0.000) 9.769 14.901 ( -19.042 0.109 0.000) 19.043 15.179 ( 33.699 13.247 0.000) 36.209 17.101 ( -26.733 18.682 0.000) 32.614 19.377 ( 21.154 -38.244 0.000) 43.705 19.828 ( 10.291 -11.193 0.000) 15.205 21.056 ( 14.110 28.169 0.000) 31.505 21.996 ( -15.458 2.788 0.000) 15.707 27.097 ( 15.469 11.536 0.000) 19.297 28.112 ( -16.070 6.770 0.000) 17.438 30.652 ( -1.192 -7.638 0.000) 7.731 30.921 ( -2.375 -15.411 0.000) 15.592 31.472 ( -1.309 19.007 0.000) 19.052 31.637 ( -2.986 5.588 0.000) 6.336 32.602 ( 17.837 -0.509 0.000) 17.844 33.665 ( -12.359 -5.231 0.000) 13.420 36.568 ( -10.460 -2.564 0.000) 10.770 36.960 ( 38.897 12.777 0.000) 40.942 37.157 ( -28.221 -8.348 0.000) 29.430 39.032 ( -26.044 4.045 0.000) 26.356 42.256 ( 14.837 -5.635 0.000) 15.871 42.309 ( 12.808 -23.643 0.000) 26.890 43.133 ( 6.580 11.719 0.000) 13.440 43.493 ( -6.179 -0.684 0.000) 6.216 ======================= Grid point 16 (12/180) ======================= q-point: ( 0.45 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.233 ( 27.638 -21.675 0.000) 35.123 4.288 ( 22.902 -4.052 0.000) 23.258 4.911 ( -16.517 2.873 0.000) 16.765 4.921 ( -17.907 -10.486 0.000) 20.751 6.190 ( 12.139 -5.638 0.000) 13.384 6.328 ( -5.609 -4.982 0.000) 7.502 6.668 ( 27.839 17.852 0.000) 33.071 7.276 ( -27.879 10.887 0.000) 29.929 7.388 ( 18.591 1.768 0.000) 18.675 7.775 ( -19.305 -0.851 0.000) 19.323 8.679 ( 20.912 3.300 0.000) 21.170 9.094 ( -19.365 -0.012 0.000) 19.365 14.267 ( 9.536 5.994 0.000) 11.263 14.534 ( -16.241 2.900 0.000) 16.498 15.864 ( 33.238 15.583 0.000) 36.709 16.516 ( -30.615 17.350 0.000) 35.190 19.743 ( 13.889 -29.252 0.000) 32.382 19.912 ( -2.241 -19.386 0.000) 19.515 21.357 ( 15.354 19.376 0.000) 24.722 21.676 ( -15.865 10.107 0.000) 18.811 27.427 ( 16.785 9.817 0.000) 19.445 27.773 ( -17.056 8.222 0.000) 18.934 30.692 ( 4.742 -9.212 0.000) 10.361 30.818 ( -6.703 -12.478 0.000) 14.165 31.495 ( 2.998 14.152 0.000) 14.466 31.568 ( -3.733 9.020 0.000) 9.762 32.993 ( 19.684 -4.778 0.000) 20.256 33.369 ( -16.782 -6.064 0.000) 17.844 36.465 ( 2.642 -3.013 0.000) 4.007 36.680 ( -17.849 -5.487 0.000) 18.673 37.755 ( 37.070 9.776 0.000) 38.337 38.450 ( -31.316 7.375 0.000) 32.172 42.469 ( 5.796 -10.972 0.000) 12.408 42.485 ( 4.134 -17.726 0.000) 18.202 43.252 ( 5.488 7.574 0.000) 9.353 43.368 ( -5.993 2.718 0.000) 6.580 ======================= Grid point 22 (13/180) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 41.074 0.000) 41.074 1.961 ( 0.000 43.102 0.000) 43.102 2.989 ( 0.000 67.342 0.000) 67.342 5.103 ( 0.000 -11.115 0.000) 11.115 5.673 ( 0.000 -25.217 0.000) 25.217 5.930 ( 0.000 20.607 0.000) 20.607 6.420 ( 0.000 7.875 0.000) 7.875 7.029 ( 0.000 -13.645 0.000) 13.645 7.813 ( 0.000 -7.549 0.000) 7.549 8.066 ( 0.000 24.159 0.000) 24.159 8.867 ( 0.000 -20.288 0.000) 20.288 9.883 ( 0.000 -4.035 0.000) 4.035 13.499 ( 0.000 5.914 0.000) 5.914 13.802 ( 0.000 4.599 0.000) 4.599 15.360 ( 0.000 37.958 0.000) 37.958 18.037 ( 0.000 -0.467 0.000) 0.467 18.423 ( 0.000 -4.618 0.000) 4.618 18.959 ( 0.000 -15.574 0.000) 15.574 21.152 ( 0.000 13.231 0.000) 13.231 22.612 ( 0.000 -8.968 0.000) 8.968 26.847 ( 0.000 28.942 0.000) 28.942 29.054 ( 0.000 10.974 0.000) 10.974 30.162 ( 0.000 -27.947 0.000) 27.947 31.078 ( 0.000 -20.198 0.000) 20.198 31.786 ( 0.000 4.180 0.000) 4.180 32.149 ( 0.000 11.828 0.000) 11.828 34.292 ( 0.000 13.075 0.000) 13.075 34.687 ( 0.000 18.856 0.000) 18.856 35.851 ( 0.000 -13.038 0.000) 13.038 36.403 ( 0.000 -7.742 0.000) 7.742 38.539 ( 0.000 3.772 0.000) 3.772 39.815 ( 0.000 -22.218 0.000) 22.218 40.639 ( 0.000 4.140 0.000) 4.140 41.637 ( 0.000 -9.611 0.000) 9.611 41.922 ( 0.000 23.772 0.000) 23.772 43.673 ( 0.000 -8.337 0.000) 8.337 ======================= Grid point 23 (14/180) ======================= q-point: ( 0.09 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -2.946 43.316 0.000) 43.416 2.034 ( 21.951 35.216 0.000) 41.497 3.439 ( 36.300 53.871 0.000) 64.960 5.119 ( 1.280 -11.369 0.000) 11.441 5.705 ( 1.701 -21.812 0.000) 21.878 5.891 ( -1.578 15.020 0.000) 15.103 6.533 ( 9.390 11.212 0.000) 14.625 6.957 ( -6.858 -14.049 0.000) 15.633 7.857 ( 3.865 -6.866 0.000) 7.879 8.084 ( 1.712 23.263 0.000) 23.326 8.803 ( -6.047 -19.257 0.000) 20.184 9.861 ( -2.223 -4.313 0.000) 4.852 13.660 ( 15.589 7.501 0.000) 17.300 14.282 ( 38.913 -8.066 0.000) 39.740 15.224 ( -12.115 35.288 0.000) 37.310 17.907 ( -10.560 -7.613 0.000) 13.018 18.598 ( 15.834 -4.003 0.000) 16.332 18.843 ( -10.755 -4.346 0.000) 11.600 21.174 ( 2.302 16.598 0.000) 16.757 22.563 ( -4.707 -8.496 0.000) 9.713 26.888 ( 4.013 28.276 0.000) 28.559 28.988 ( -6.213 10.528 0.000) 12.225 30.212 ( 4.692 -27.631 0.000) 28.027 30.964 ( -10.011 -18.234 0.000) 20.801 31.790 ( 0.195 3.917 0.000) 3.922 32.143 ( -0.530 12.293 0.000) 12.305 34.206 ( -6.741 7.312 0.000) 9.945 34.216 ( -79.567 32.480 0.000) 85.941 34.961 ( 24.222 22.125 0.000) 32.806 37.739 ( 52.181 -37.240 0.000) 64.107 38.230 ( -26.481 3.040 0.000) 26.655 39.491 ( -22.877 -25.156 0.000) 34.003 40.900 ( 21.851 3.473 0.000) 22.125 41.385 ( -8.692 6.412 0.000) 10.802 42.431 ( 28.622 5.148 0.000) 29.081 43.656 ( -1.642 -7.891 0.000) 8.060 ======================= Grid point 24 (15/180) ======================= q-point: ( 0.18 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 18.302 23.218 0.000) 29.564 2.593 ( 30.988 25.037 0.000) 39.838 4.263 ( 42.355 37.018 0.000) 56.252 5.138 ( 0.075 -12.712 0.000) 12.712 5.649 ( -6.746 -4.419 0.000) 8.064 5.971 ( 8.950 -2.539 0.000) 9.304 6.748 ( 11.158 15.108 0.000) 18.782 6.765 ( -11.430 -14.285 0.000) 18.295 7.937 ( 3.083 -5.010 0.000) 5.882 8.140 ( 4.011 21.058 0.000) 21.436 8.632 ( -10.598 -16.259 0.000) 19.408 9.785 ( -5.501 -4.799 0.000) 7.300 14.105 ( 27.070 11.320 0.000) 29.341 14.935 ( -14.536 29.915 0.000) 33.259 15.000 ( 24.688 -11.300 0.000) 27.151 17.758 ( 0.009 -21.158 0.000) 21.158 18.553 ( -17.127 9.671 0.000) 19.669 18.986 ( 20.362 -4.713 0.000) 20.900 21.250 ( 5.220 20.758 0.000) 21.405 22.429 ( -8.192 -6.826 0.000) 10.663 27.008 ( 7.673 26.450 0.000) 27.540 28.818 ( -10.183 9.910 0.000) 14.209 30.337 ( 7.030 -26.915 0.000) 27.818 30.730 ( -11.729 -15.332 0.000) 19.304 31.789 ( -0.255 4.151 0.000) 4.159 32.131 ( -0.629 14.595 0.000) 14.609 33.003 ( -40.431 36.088 0.000) 54.194 34.040 ( -9.546 1.801 0.000) 9.715 35.590 ( 36.070 21.837 0.000) 42.165 37.617 ( -31.071 2.079 0.000) 31.140 38.061 ( -17.284 -20.701 0.000) 26.968 39.307 ( 5.120 -33.842 0.000) 34.227 41.339 ( 4.183 0.135 0.000) 4.185 41.386 ( 23.858 0.966 0.000) 23.878 42.900 ( 17.488 4.454 0.000) 18.046 43.608 ( -2.951 -6.575 0.000) 7.206 ======================= Grid point 25 (16/180) ======================= q-point: ( 0.27 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 29.783 -0.248 0.000) 29.784 3.232 ( 30.810 15.725 0.000) 34.591 5.092 ( 37.588 19.675 0.000) 42.426 5.095 ( -5.062 -15.774 0.000) 16.566 5.475 ( -9.909 -1.790 0.000) 10.069 6.206 ( 13.853 1.001 0.000) 13.889 6.522 ( -11.637 -12.654 0.000) 17.191 6.975 ( 11.137 15.683 0.000) 19.235 7.951 ( -2.295 -1.850 0.000) 2.948 8.261 ( 8.199 17.110 0.000) 18.973 8.380 ( -13.973 -11.643 0.000) 18.188 9.632 ( -9.562 -4.713 0.000) 10.661 14.545 ( -0.534 18.801 0.000) 18.809 14.861 ( 23.897 21.007 0.000) 31.818 15.179 ( -5.140 -1.512 0.000) 5.358 17.930 ( 6.429 -7.486 0.000) 9.868 18.212 ( -7.362 -7.803 0.000) 10.728 19.355 ( 14.447 -9.014 0.000) 17.028 21.383 ( 7.649 21.409 0.000) 22.734 22.245 ( -9.549 -3.297 0.000) 10.102 27.196 ( 10.714 23.874 0.000) 26.168 28.584 ( -12.597 10.361 0.000) 16.311 30.469 ( 5.192 -25.338 0.000) 25.865 30.526 ( -7.784 -13.826 0.000) 15.866 31.784 ( -0.101 5.484 0.000) 5.485 32.092 ( -4.682 24.911 0.000) 25.347 32.511 ( -8.683 12.967 0.000) 15.606 33.818 ( -12.259 -2.239 0.000) 12.462 36.347 ( 34.408 15.267 0.000) 37.643 37.062 ( -19.598 5.214 0.000) 20.279 37.510 ( -30.317 -15.340 0.000) 33.977 39.342 ( -5.364 -15.535 0.000) 16.435 41.539 ( 14.144 -13.221 0.000) 19.361 41.818 ( 17.947 -3.496 0.000) 18.284 43.167 ( 9.431 5.557 0.000) 10.946 43.541 ( -3.539 -4.395 0.000) 5.643 ======================= Grid point 26 (17/180) ======================= q-point: ( 0.36 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 31.209 -15.709 0.000) 34.940 3.804 ( 24.131 5.224 0.000) 24.690 4.921 ( -11.476 -17.139 0.000) 20.627 5.238 ( -12.648 0.130 0.000) 12.649 5.735 ( 23.329 -0.965 0.000) 23.349 6.321 ( -7.916 -9.657 0.000) 12.487 6.554 ( 21.184 14.176 0.000) 25.490 7.206 ( 11.759 12.137 0.000) 16.900 7.828 ( -10.124 3.672 0.000) 10.769 8.070 ( -16.215 -6.593 0.000) 17.504 8.477 ( 12.884 11.489 0.000) 17.262 9.397 ( -13.415 -3.211 0.000) 13.793 14.435 ( -3.597 16.463 0.000) 16.851 14.937 ( -15.440 3.621 0.000) 15.859 15.546 ( 36.616 21.260 0.000) 42.340 17.576 ( -26.948 25.356 0.000) 37.002 18.579 ( 26.561 -38.051 0.000) 46.404 19.530 ( 2.182 -16.554 0.000) 16.697 21.551 ( 8.622 19.153 0.000) 21.004 22.055 ( -8.858 2.436 0.000) 9.187 27.438 ( 12.985 20.959 0.000) 24.656 28.311 ( -14.141 12.208 0.000) 18.681 30.425 ( -2.173 -14.053 0.000) 14.220 30.525 ( 0.225 -22.416 0.000) 22.417 31.788 ( 0.551 8.440 0.000) 8.458 31.957 ( -6.547 26.827 0.000) 27.614 32.566 ( 10.700 -3.204 0.000) 11.169 33.542 ( -14.907 -5.928 0.000) 16.042 36.501 ( -10.735 -3.714 0.000) 11.360 36.937 ( -24.888 -12.206 0.000) 27.720 37.307 ( 35.239 20.041 0.000) 40.539 39.094 ( -18.074 0.460 0.000) 18.080 41.845 ( 14.503 -19.607 0.000) 24.388 42.097 ( 9.214 -9.370 0.000) 13.141 43.307 ( 4.742 5.361 0.000) 7.157 43.471 ( -3.103 -1.381 0.000) 3.396 ======================= Grid point 27 (18/180) ======================= q-point: ( 0.45 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( 25.952 -23.919 0.000) 35.294 4.086 ( -2.073 -16.692 0.000) 16.820 4.752 ( 0.978 -2.932 0.000) 3.091 4.959 ( -14.220 2.669 0.000) 14.468 6.051 ( 9.427 -8.847 0.000) 12.928 6.190 ( -5.617 -8.518 0.000) 10.204 7.047 ( 25.484 17.598 0.000) 30.969 7.461 ( 13.368 5.461 0.000) 14.441 7.522 ( -20.026 11.687 0.000) 23.187 7.748 ( -14.966 -1.718 0.000) 15.064 8.772 ( 15.716 5.416 0.000) 16.623 9.097 ( -15.799 0.224 0.000) 15.800 14.449 ( 5.135 11.314 0.000) 12.425 14.637 ( -12.827 7.031 0.000) 14.627 16.284 ( 35.454 23.655 0.000) 42.621 16.973 ( -32.011 25.100 0.000) 40.678 19.087 ( 21.996 -32.587 0.000) 39.316 19.434 ( -11.430 -25.151 0.000) 27.626 21.724 ( 8.219 14.945 0.000) 17.056 21.886 ( -7.930 9.145 0.000) 12.104 27.718 ( 14.372 17.934 0.000) 22.982 28.016 ( -14.768 14.922 0.000) 20.995 30.429 ( 2.169 -15.895 0.000) 16.042 30.490 ( -3.105 -18.924 0.000) 19.177 31.808 ( 1.540 13.376 0.000) 13.464 31.857 ( -3.431 19.929 0.000) 20.222 32.859 ( 16.891 -7.722 0.000) 18.573 33.214 ( -17.234 -8.294 0.000) 19.126 36.379 ( 0.449 -5.120 0.000) 5.139 36.532 ( -14.268 -8.325 0.000) 16.520 38.024 ( 33.355 15.477 0.000) 36.771 38.636 ( -26.579 9.589 0.000) 28.256 42.089 ( 8.881 -19.286 0.000) 21.232 42.187 ( -0.396 -15.305 0.000) 15.310 43.375 ( 2.389 4.157 0.000) 4.795 43.418 ( -2.165 1.848 0.000) 2.846 ======================= Grid point 33 (19/180) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 0.000 36.135 0.000) 36.135 2.769 ( 0.000 34.429 0.000) 34.429 4.286 ( 0.000 57.630 0.000) 57.630 4.831 ( 0.000 -14.852 0.000) 14.852 5.115 ( 0.000 -27.467 0.000) 27.467 6.428 ( 0.000 27.303 0.000) 27.303 6.660 ( 0.000 14.393 0.000) 14.393 6.669 ( 0.000 -21.486 0.000) 21.486 7.612 ( 0.000 -11.951 0.000) 11.951 8.360 ( 0.000 -28.387 0.000) 28.387 8.559 ( 0.000 23.361 0.000) 23.361 9.725 ( 0.000 -11.296 0.000) 11.296 13.648 ( 0.000 8.004 0.000) 8.004 13.881 ( 0.000 2.508 0.000) 2.508 16.225 ( 0.000 44.314 0.000) 44.314 18.046 ( 0.000 1.509 0.000) 1.509 18.315 ( 0.000 -5.668 0.000) 5.668 18.543 ( 0.000 -24.937 0.000) 24.937 21.456 ( 0.000 15.810 0.000) 15.810 22.390 ( 0.000 -12.341 0.000) 12.341 27.511 ( 0.000 34.257 0.000) 34.257 29.333 ( 0.000 15.987 0.000) 15.987 29.559 ( 0.000 -30.327 0.000) 30.327 30.626 ( 0.000 -22.960 0.000) 22.960 31.920 ( 0.000 8.719 0.000) 8.719 32.313 ( 0.000 3.632 0.000) 3.632 34.582 ( 0.000 14.661 0.000) 14.661 35.103 ( 0.000 20.830 0.000) 20.830 35.546 ( 0.000 -16.022 0.000) 16.022 36.198 ( 0.000 -12.168 0.000) 12.168 38.642 ( 0.000 6.367 0.000) 6.367 39.391 ( 0.000 -18.582 0.000) 18.582 40.754 ( 0.000 7.044 0.000) 7.044 41.411 ( 0.000 -11.954 0.000) 11.954 42.393 ( 0.000 21.709 0.000) 21.709 43.460 ( 0.000 -12.182 0.000) 12.182 ======================= Grid point 34 (20/180) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -5.099 37.768 0.000) 38.111 2.750 ( 14.409 33.082 0.000) 36.084 4.454 ( 15.081 40.867 0.000) 43.561 4.836 ( 0.245 -15.561 0.000) 15.563 5.211 ( 8.621 -20.603 0.000) 22.334 6.324 ( -5.827 25.113 0.000) 25.780 6.594 ( -6.875 -21.054 0.000) 22.148 6.832 ( 12.391 16.902 0.000) 20.957 7.671 ( 5.209 -11.408 0.000) 12.541 8.325 ( -3.295 -26.631 0.000) 26.834 8.561 ( 0.228 22.679 0.000) 22.680 9.701 ( -2.396 -11.250 0.000) 11.502 13.843 ( 18.614 9.543 0.000) 20.917 14.202 ( 28.652 -1.912 0.000) 28.716 16.017 ( -18.030 39.817 0.000) 43.709 17.718 ( -23.296 -11.422 0.000) 25.945 18.516 ( 17.235 -3.497 0.000) 17.586 18.704 ( 7.774 -8.556 0.000) 11.560 21.489 ( 3.169 14.792 0.000) 15.128 22.354 ( -3.458 -11.621 0.000) 12.124 27.539 ( 2.761 33.703 0.000) 33.816 29.234 ( -8.109 10.577 0.000) 13.328 29.637 ( 6.116 -25.250 0.000) 25.980 30.547 ( -7.202 -21.625 0.000) 22.793 31.914 ( -0.517 8.128 0.000) 8.145 32.306 ( -0.601 3.252 0.000) 3.307 34.387 ( -13.619 9.445 0.000) 16.573 34.608 ( -54.391 8.774 0.000) 55.094 35.440 ( 26.834 24.008 0.000) 36.006 37.055 ( 45.926 -29.888 0.000) 54.795 38.315 ( -27.892 5.386 0.000) 28.407 39.034 ( -28.391 -19.282 0.000) 34.320 40.996 ( 19.851 5.876 0.000) 20.703 41.425 ( 0.122 -2.723 0.000) 2.726 42.609 ( 17.886 12.042 0.000) 21.562 43.457 ( -0.330 -11.277 0.000) 11.281 ======================= Grid point 35 (21/180) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -0.394 34.128 0.000) 34.130 3.130 ( 21.546 25.613 0.000) 33.470 4.819 ( -2.487 -17.638 0.000) 17.813 4.824 ( 19.640 11.007 0.000) 22.514 5.400 ( 7.636 -6.801 0.000) 10.226 6.280 ( 3.352 25.883 0.000) 26.099 6.418 ( -9.643 -18.861 0.000) 21.183 7.089 ( 12.164 17.126 0.000) 21.006 7.788 ( 5.350 -10.133 0.000) 11.458 8.234 ( -5.519 -21.649 0.000) 22.342 8.573 ( 1.172 20.706 0.000) 20.739 9.625 ( -5.141 -10.721 0.000) 11.890 14.362 ( 30.872 12.734 0.000) 33.395 14.851 ( 29.397 -4.645 0.000) 29.762 15.602 ( -20.399 33.371 0.000) 39.112 17.305 ( -13.391 -22.175 0.000) 25.904 18.736 ( -5.083 6.459 0.000) 8.219 18.896 ( 17.708 -3.686 0.000) 18.088 21.582 ( 5.806 13.013 0.000) 14.250 22.262 ( -5.215 -9.228 0.000) 10.599 27.622 ( 5.418 32.117 0.000) 32.571 29.041 ( -10.454 9.644 0.000) 14.223 29.778 ( 7.501 -24.842 0.000) 25.949 30.369 ( -9.418 -19.210 0.000) 21.395 31.904 ( -0.289 7.141 0.000) 7.146 32.295 ( -0.171 2.049 0.000) 2.056 33.633 ( -40.283 24.069 0.000) 46.926 34.100 ( -14.630 3.124 0.000) 14.960 36.068 ( 33.031 24.104 0.000) 40.890 37.600 ( -1.714 -23.647 0.000) 23.709 37.685 ( -30.623 4.800 0.000) 30.997 38.635 ( 0.435 -29.245 0.000) 29.249 41.411 ( -0.645 4.344 0.000) 4.391 41.416 ( 19.328 1.839 0.000) 19.415 42.977 ( 16.180 3.999 0.000) 16.667 43.448 ( -0.460 -8.693 0.000) 8.705 ======================= Grid point 36 (22/180) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 8.569 18.268 0.000) 20.178 3.563 ( 19.254 14.141 0.000) 23.889 4.727 ( -6.010 -17.823 0.000) 18.809 5.189 ( 14.014 -11.717 0.000) 18.267 5.465 ( 0.509 5.686 0.000) 5.709 6.233 ( -8.091 -14.902 0.000) 16.957 6.503 ( 17.682 24.608 0.000) 30.302 7.311 ( 9.549 16.010 0.000) 18.641 7.858 ( 1.077 -8.576 0.000) 8.643 8.106 ( -7.021 -13.713 0.000) 15.406 8.618 ( 3.533 17.219 0.000) 17.577 9.492 ( -7.901 -8.988 0.000) 11.967 14.910 ( 9.050 15.231 0.000) 17.717 15.188 ( 1.852 1.721 0.000) 2.528 15.378 ( 12.079 28.496 0.000) 30.951 17.321 ( 15.974 -32.938 0.000) 36.607 18.509 ( -16.715 16.766 0.000) 23.675 19.166 ( 7.679 -8.910 0.000) 11.763 21.714 ( 6.903 11.737 0.000) 13.616 22.159 ( -4.509 -4.920 0.000) 6.674 27.757 ( 7.780 29.639 0.000) 30.643 28.820 ( -11.129 11.129 0.000) 15.738 29.927 ( 6.627 -25.470 0.000) 26.318 30.195 ( -7.106 -17.700 0.000) 19.074 31.912 ( 1.315 6.950 0.000) 7.073 32.318 ( 2.984 0.007 0.000) 2.984 32.969 ( -25.832 26.740 0.000) 37.180 33.786 ( -16.460 -1.635 0.000) 16.541 36.600 ( 8.182 8.482 0.000) 11.785 37.190 ( -27.159 -14.927 0.000) 30.991 37.284 ( 2.495 17.042 0.000) 17.224 38.886 ( 13.098 -26.972 0.000) 29.984 41.434 ( 3.497 1.281 0.000) 3.724 41.736 ( 11.734 -4.430 0.000) 12.542 43.237 ( 9.470 2.037 0.000) 9.687 43.441 ( -0.246 -5.038 0.000) 5.044 ======================= Grid point 37 (23/180) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 15.432 -1.134 0.000) 15.474 3.813 ( 2.467 -7.862 0.000) 8.240 4.652 ( 1.533 -4.545 0.000) 4.796 5.235 ( -7.030 -1.988 0.000) 7.305 5.608 ( 11.772 -7.041 0.000) 13.717 6.093 ( -5.944 -12.204 0.000) 13.575 6.924 ( 22.043 19.442 0.000) 29.392 7.478 ( 7.021 13.182 0.000) 14.935 7.827 ( -3.838 -6.327 0.000) 7.400 7.943 ( -9.386 -3.489 0.000) 10.014 8.723 ( 6.791 12.018 0.000) 13.804 9.308 ( -9.960 -5.575 0.000) 11.414 14.790 ( -8.317 16.495 0.000) 18.473 15.038 ( -12.333 5.453 0.000) 13.485 16.020 ( 38.168 24.110 0.000) 45.145 17.820 ( 26.561 -34.488 0.000) 43.531 18.089 ( -21.763 22.538 0.000) 31.330 19.182 ( -6.227 -16.635 0.000) 17.763 21.851 ( 6.298 10.367 0.000) 12.130 22.085 ( -2.821 0.393 0.000) 2.849 27.935 ( 9.588 26.345 0.000) 28.036 28.592 ( -11.233 14.026 0.000) 17.969 30.029 ( 3.202 -24.448 0.000) 24.656 30.090 ( -3.201 -17.730 0.000) 18.016 31.966 ( 4.101 8.485 0.000) 9.424 32.437 ( 8.673 -0.037 0.000) 8.673 32.549 ( -15.888 19.976 0.000) 25.524 33.431 ( -18.319 -5.192 0.000) 19.041 36.426 ( -12.616 -3.126 0.000) 12.997 36.684 ( -21.221 -11.646 0.000) 24.207 37.758 ( 31.272 23.099 0.000) 38.878 39.000 ( -2.420 -10.135 0.000) 10.420 41.559 ( 8.351 -7.383 0.000) 11.147 41.887 ( 3.152 -10.636 0.000) 11.094 43.374 ( 4.393 1.685 0.000) 4.706 43.440 ( 0.124 -1.574 0.000) 1.579 ======================= Grid point 38 (24/180) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 18.011 -16.216 0.000) 24.235 3.660 ( -14.657 -22.018 0.000) 26.450 4.807 ( 11.357 7.070 0.000) 13.378 5.042 ( -11.009 5.353 0.000) 12.241 5.824 ( 8.945 -12.332 0.000) 15.234 5.974 ( -6.187 -12.119 0.000) 13.607 7.353 ( 19.460 11.595 0.000) 22.653 7.608 ( 6.137 8.339 0.000) 10.354 7.692 ( -12.723 -0.408 0.000) 12.730 7.737 ( -7.392 5.295 0.000) 9.093 8.890 ( 9.452 5.727 0.000) 11.051 9.097 ( -10.588 -0.483 0.000) 10.599 14.703 ( 0.323 12.219 0.000) 12.223 14.803 ( -9.146 8.267 0.000) 12.328 16.787 ( 36.475 24.135 0.000) 43.737 17.482 ( -31.520 22.533 0.000) 38.746 18.446 ( 27.333 -28.306 0.000) 39.348 18.922 ( -18.765 -23.688 0.000) 30.219 21.961 ( 4.463 8.216 0.000) 9.350 22.033 ( -2.737 4.975 0.000) 5.678 28.142 ( 10.677 22.335 0.000) 24.756 28.364 ( -11.135 17.993 0.000) 21.160 30.058 ( -0.282 -19.267 0.000) 19.269 30.060 ( 0.172 -21.872 0.000) 21.873 32.082 ( 7.395 12.321 0.000) 14.370 32.269 ( -11.091 18.307 0.000) 21.405 32.698 ( 15.562 -6.970 0.000) 17.052 33.052 ( -18.583 -7.153 0.000) 19.913 36.269 ( -1.929 -5.087 0.000) 5.440 36.357 ( -10.500 -8.071 0.000) 13.243 38.359 ( 26.480 16.230 0.000) 31.058 38.802 ( -16.411 5.447 0.000) 17.291 41.739 ( 8.509 -13.479 0.000) 15.940 41.874 ( -4.088 -14.229 0.000) 14.805 43.430 ( 1.404 1.409 0.000) 1.989 43.442 ( -0.040 0.559 0.000) 0.560 ======================= Grid point 44 (25/180) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( 0.000 22.329 0.000) 22.329 3.316 ( 0.000 15.211 0.000) 15.211 4.542 ( 0.000 -10.120 0.000) 10.120 4.611 ( 0.000 -17.973 0.000) 17.973 5.344 ( 0.000 44.598 0.000) 44.598 6.127 ( 0.000 -31.571 0.000) 31.571 6.986 ( 0.000 16.655 0.000) 16.655 7.043 ( 0.000 31.934 0.000) 31.934 7.324 ( 0.000 -15.586 0.000) 15.586 7.720 ( 0.000 -32.813 0.000) 32.813 9.022 ( 0.000 21.296 0.000) 21.296 9.425 ( 0.000 -17.398 0.000) 17.398 13.802 ( 0.000 6.303 0.000) 6.303 13.889 ( 0.000 -1.919 0.000) 1.919 17.129 ( 0.000 42.174 0.000) 42.174 17.928 ( 0.000 -34.577 0.000) 34.577 18.101 ( 0.000 3.814 0.000) 3.814 18.198 ( 0.000 -5.388 0.000) 5.388 21.789 ( 0.000 16.077 0.000) 16.077 22.109 ( 0.000 -14.767 0.000) 14.767 28.224 ( 0.000 34.275 0.000) 34.275 28.912 ( 0.000 -32.353 0.000) 32.353 29.708 ( 0.000 20.079 0.000) 20.079 30.151 ( 0.000 -22.623 0.000) 22.623 32.124 ( 0.000 10.123 0.000) 10.123 32.293 ( 0.000 -5.275 0.000) 5.275 34.890 ( 0.000 15.145 0.000) 15.145 35.211 ( 0.000 -16.043 0.000) 16.043 35.526 ( 0.000 19.688 0.000) 19.688 35.901 ( 0.000 -16.472 0.000) 16.472 38.808 ( 0.000 9.821 0.000) 9.821 39.053 ( 0.000 -14.103 0.000) 14.103 40.931 ( 0.000 10.008 0.000) 10.008 41.160 ( 0.000 -11.973 0.000) 11.973 42.814 ( 0.000 18.943 0.000) 18.943 43.172 ( 0.000 -15.732 0.000) 15.732 ======================= Grid point 45 (26/180) ======================= q-point: ( 0.09 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( 9.014 19.433 0.000) 21.422 3.330 ( 0.494 19.753 0.000) 19.759 4.530 ( -1.332 -10.929 0.000) 11.010 4.584 ( -0.871 -15.192 0.000) 15.217 5.446 ( 8.290 33.448 0.000) 34.460 6.089 ( -3.328 -27.932 0.000) 28.130 6.889 ( -3.313 27.877 0.000) 28.073 7.218 ( 10.823 20.973 0.000) 23.601 7.373 ( 4.209 -18.125 0.000) 18.608 7.738 ( 1.818 -28.812 0.000) 28.870 9.012 ( -0.993 20.769 0.000) 20.793 9.405 ( -1.921 -17.058 0.000) 17.166 14.027 ( 21.277 7.761 0.000) 22.648 14.149 ( 24.039 -3.965 0.000) 24.364 16.799 ( -25.734 34.429 0.000) 42.984 17.387 ( -30.399 -21.887 0.000) 37.459 18.474 ( 20.275 0.014 0.000) 20.275 18.537 ( 20.227 -6.249 0.000) 21.171 21.794 ( 0.731 14.749 0.000) 14.767 22.090 ( -1.659 -13.743 0.000) 13.843 28.243 ( 1.818 33.868 0.000) 33.917 28.917 ( 0.363 -30.916 0.000) 30.919 29.673 ( -3.015 18.253 0.000) 18.500 30.095 ( -5.242 -21.722 0.000) 22.346 32.108 ( -1.425 9.835 0.000) 9.938 32.278 ( -1.428 -5.588 0.000) 5.768 34.566 ( -21.940 7.259 0.000) 23.110 34.666 ( -34.916 -1.878 0.000) 34.966 35.946 ( 30.749 25.071 0.000) 39.674 36.477 ( 37.183 -26.554 0.000) 45.691 38.461 ( -29.296 8.949 0.000) 30.632 38.693 ( -29.815 -13.802 0.000) 32.855 41.140 ( 16.451 7.877 0.000) 18.240 41.306 ( 10.420 -7.713 0.000) 12.964 42.895 ( 7.667 14.828 0.000) 16.693 43.196 ( 2.303 -13.869 0.000) 14.059 ======================= Grid point 46 (27/180) ======================= q-point: ( 0.18 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( -3.940 27.277 0.000) 27.560 3.540 ( 9.753 8.474 0.000) 12.921 4.496 ( -1.132 -8.433 0.000) 8.509 4.640 ( 6.845 -17.134 0.000) 18.451 5.604 ( 5.831 18.472 0.000) 19.371 6.010 ( -4.102 -20.173 0.000) 20.586 6.892 ( 4.012 30.919 0.000) 31.178 7.438 ( 10.235 16.650 0.000) 19.544 7.466 ( 4.419 -22.493 0.000) 22.923 7.795 ( 3.557 -19.113 0.000) 19.441 8.986 ( -1.394 19.073 0.000) 19.124 9.349 ( -3.602 -15.782 0.000) 16.188 14.600 ( 32.545 9.749 0.000) 33.974 14.756 ( 31.741 -5.532 0.000) 32.219 16.264 ( -24.162 30.001 0.000) 38.521 16.827 ( -22.183 -24.754 0.000) 33.239 18.815 ( 6.489 1.827 0.000) 6.741 18.843 ( 13.849 -1.524 0.000) 13.932 21.828 ( 2.767 11.316 0.000) 11.650 22.055 ( -1.419 -10.635 0.000) 10.729 28.297 ( 3.465 32.476 0.000) 32.660 28.916 ( -0.821 -24.750 0.000) 24.764 29.610 ( -2.491 11.392 0.000) 11.661 29.961 ( -7.224 -19.595 0.000) 20.884 32.076 ( -1.340 9.027 0.000) 9.126 32.244 ( -1.592 -6.241 0.000) 6.441 33.997 ( -30.111 11.467 0.000) 32.220 34.126 ( -21.045 -1.670 0.000) 21.111 36.577 ( 27.238 25.034 0.000) 36.995 37.095 ( 15.517 -25.039 0.000) 29.457 37.835 ( -26.520 10.345 0.000) 28.466 38.135 ( -15.291 -19.144 0.000) 24.501 41.455 ( 12.786 1.688 0.000) 12.897 41.468 ( 4.826 0.870 0.000) 4.904 43.090 ( 10.319 7.097 0.000) 12.524 43.261 ( 3.931 -9.096 0.000) 9.909 ======================= Grid point 47 (28/180) ======================= q-point: ( 0.27 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( -5.623 25.500 0.000) 26.113 3.632 ( -2.160 -11.951 0.000) 12.145 4.547 ( 7.285 5.143 0.000) 8.917 4.839 ( 11.557 -18.554 0.000) 21.859 5.655 ( -0.573 11.589 0.000) 11.604 5.927 ( -4.209 -14.358 0.000) 14.962 7.051 ( 11.018 26.336 0.000) 28.548 7.546 ( 3.496 -20.835 0.000) 21.126 7.617 ( 7.043 13.359 0.000) 15.102 7.862 ( 2.413 -10.760 0.000) 11.028 8.962 ( -0.757 15.869 0.000) 15.887 9.263 ( -4.706 -13.043 0.000) 13.866 15.143 ( 11.431 7.145 0.000) 13.480 15.213 ( 7.641 -0.241 0.000) 7.645 16.002 ( 7.182 31.272 0.000) 32.086 16.654 ( 9.716 -31.849 0.000) 33.298 18.796 ( -8.128 11.155 0.000) 13.803 18.990 ( 0.174 -8.387 0.000) 8.389 21.906 ( 4.661 7.579 0.000) 8.898 22.045 ( 0.528 -6.089 0.000) 6.112 28.380 ( 4.598 29.563 0.000) 29.918 28.874 ( -3.406 -12.661 0.000) 13.112 29.591 ( 0.713 -0.342 0.000) 0.790 29.825 ( -5.803 -17.177 0.000) 18.131 32.070 ( 1.127 8.169 0.000) 8.246 32.232 ( 0.996 -6.913 0.000) 6.984 33.446 ( -24.214 18.169 0.000) 30.273 33.705 ( -20.484 -7.326 0.000) 21.755 36.739 ( -13.398 6.684 0.000) 14.973 36.918 ( -22.566 -11.006 0.000) 25.107 37.735 ( 19.096 25.423 0.000) 31.796 38.299 ( 21.271 -28.667 0.000) 35.697 41.518 ( 0.876 5.631 0.000) 5.699 41.635 ( 5.051 -5.373 0.000) 7.374 43.278 ( 7.640 2.357 0.000) 7.995 43.344 ( 3.917 -4.091 0.000) 5.664 ======================= Grid point 48 (29/180) ======================= q-point: ( 0.36 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( -2.033 14.005 0.000) 14.152 3.483 ( -10.568 -20.301 0.000) 22.887 4.764 ( 12.394 12.343 0.000) 17.492 5.057 ( 8.501 -14.012 0.000) 16.389 5.615 ( -2.122 7.436 0.000) 7.732 5.833 ( -5.073 -12.387 0.000) 13.385 7.302 ( 12.744 16.717 0.000) 21.020 7.609 ( 2.614 -13.083 0.000) 13.341 7.721 ( 3.298 9.920 0.000) 10.454 7.875 ( -1.296 -4.931 0.000) 5.098 8.962 ( 0.821 10.880 0.000) 10.911 9.163 ( -4.944 -8.493 0.000) 9.827 15.057 ( -10.314 8.299 0.000) 13.238 15.121 ( -10.666 1.471 0.000) 10.767 16.542 ( 35.913 26.839 0.000) 44.834 17.139 ( 31.425 -31.101 0.000) 44.214 18.510 ( -19.080 18.045 0.000) 26.262 18.851 ( -13.425 -15.689 0.000) 20.649 22.003 ( 4.461 4.905 0.000) 6.630 22.070 ( 1.602 -1.889 0.000) 2.477 28.479 ( 5.013 24.540 0.000) 25.047 28.786 ( -4.878 -0.427 0.000) 4.896 29.625 ( 2.051 -9.498 0.000) 9.717 29.733 ( -3.192 -15.151 0.000) 15.483 32.136 ( 5.625 8.135 0.000) 9.890 32.303 ( 6.179 -7.916 0.000) 10.042 33.005 ( -19.180 18.670 0.000) 26.766 33.292 ( -20.057 -9.429 0.000) 22.163 36.398 ( -15.105 0.999 0.000) 15.138 36.483 ( -17.958 -7.270 0.000) 19.374 38.240 ( 25.050 23.090 0.000) 34.068 38.686 ( 14.144 -19.369 0.000) 23.983 41.532 ( 0.972 3.859 0.000) 3.979 41.676 ( -0.534 -9.261 0.000) 9.277 43.395 ( 3.954 0.665 0.000) 4.009 43.411 ( 2.594 -1.083 0.000) 2.811 ======================= Grid point 49 (30/180) ======================= q-point: ( 0.45 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 4.071 -1.184 0.000) 4.240 3.267 ( -9.505 -14.237 0.000) 17.119 4.998 ( 9.784 10.124 0.000) 14.080 5.129 ( -2.078 0.143 0.000) 2.083 5.621 ( 3.264 -3.935 0.000) 5.112 5.722 ( -5.699 -10.991 0.000) 12.380 7.533 ( 9.145 6.434 0.000) 11.181 7.636 ( -0.842 -3.770 0.000) 3.862 7.764 ( 1.553 5.676 0.000) 5.885 7.817 ( -3.708 0.801 0.000) 3.793 8.997 ( 2.689 4.467 0.000) 5.214 9.069 ( -4.214 -2.370 0.000) 4.834 14.904 ( -3.434 6.163 0.000) 7.055 14.933 ( -6.127 3.203 0.000) 6.914 17.266 ( 33.335 22.388 0.000) 40.155 17.685 ( 9.360 -12.968 0.000) 15.993 18.131 ( -6.596 8.096 0.000) 10.443 18.472 ( -22.745 -19.884 0.000) 30.211 22.074 ( 2.313 2.980 0.000) 3.773 22.093 ( 0.318 0.984 0.000) 1.034 28.581 ( 5.045 17.548 0.000) 18.259 28.684 ( -5.090 9.279 0.000) 10.583 29.661 ( 1.446 -13.041 0.000) 13.121 29.688 ( -1.485 -13.994 0.000) 14.072 32.299 ( 9.987 8.699 0.000) 13.244 32.442 ( 2.618 -3.987 0.000) 4.769 32.711 ( -4.949 10.087 0.000) 11.236 32.906 ( -17.102 -7.715 0.000) 18.762 36.195 ( -4.412 -1.468 0.000) 4.650 36.224 ( -7.228 -4.280 0.000) 8.400 38.660 ( 15.175 12.080 0.000) 19.396 38.826 ( -0.738 -3.504 0.000) 3.581 41.570 ( 2.758 -2.492 0.000) 3.717 41.634 ( -3.125 -8.154 0.000) 8.733 43.445 ( 1.157 0.273 0.000) 1.189 43.447 ( 0.868 0.024 0.000) 0.869 ======================= Grid point 99 (31/180) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.000 0.000 45.233) 45.233 0.995 ( 0.000 0.000 47.873) 47.873 1.636 ( 0.000 0.000 77.968) 77.968 5.465 ( 0.000 0.000 -0.776) 0.776 5.475 ( 0.000 0.000 12.855) 12.855 5.965 ( 0.000 0.000 -8.966) 8.966 6.515 ( 0.000 0.000 -34.708) 34.708 6.588 ( 0.000 0.000 -13.184) 13.184 8.021 ( 0.000 0.000 34.716) 34.716 8.524 ( 0.000 0.000 -4.668) 4.668 9.382 ( 0.000 0.000 7.866) 7.866 9.828 ( 0.000 0.000 -6.628) 6.628 13.744 ( 0.000 0.000 6.662) 6.662 14.397 ( 0.000 0.000 -7.437) 7.437 15.365 ( 0.000 0.000 -11.148) 11.148 16.193 ( 0.000 0.000 12.876) 12.876 18.074 ( 0.000 0.000 -32.486) 32.486 18.111 ( 0.000 0.000 3.745) 3.745 19.677 ( 0.000 0.000 28.301) 28.301 22.757 ( 0.000 0.000 -4.613) 4.613 28.922 ( 0.000 0.000 9.254) 9.254 30.176 ( 0.000 0.000 0.658) 0.658 30.602 ( 0.000 0.000 -3.779) 3.779 30.681 ( 0.000 0.000 -21.002) 21.002 31.501 ( 0.000 0.000 -11.676) 11.676 31.712 ( 0.000 0.000 -2.156) 2.156 31.931 ( 0.000 0.000 25.613) 25.613 34.246 ( 0.000 0.000 1.616) 1.616 36.229 ( 0.000 0.000 8.539) 8.539 38.410 ( 0.000 0.000 -5.149) 5.149 39.379 ( 0.000 0.000 0.818) 0.818 39.515 ( 0.000 0.000 -0.044) 0.044 40.549 ( 0.000 0.000 -1.034) 1.034 40.656 ( 0.000 0.000 -1.188) 1.188 41.933 ( 0.000 0.000 7.835) 7.835 43.810 ( 0.000 0.000 -3.543) 3.543 ======================= Grid point 100 (32/180) ======================= q-point: ( 0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 25.150 0.000 28.562) 38.057 1.386 ( 36.548 0.000 29.807) 47.161 2.320 ( 50.863 0.000 58.276) 77.351 5.475 ( 0.126 0.000 10.771) 10.772 5.500 ( 3.117 0.000 -0.942) 3.256 5.997 ( 2.779 0.000 -9.351) 9.756 6.531 ( 1.435 0.000 -32.653) 32.685 6.570 ( -1.681 0.000 -13.499) 13.603 8.006 ( -1.109 0.000 34.186) 34.204 8.215 ( -12.284 0.000 9.523) 15.543 9.316 ( -7.117 0.000 8.778) 11.301 9.821 ( -0.790 0.000 -6.204) 6.254 13.571 ( 4.181 0.000 4.383) 6.058 14.312 ( -7.559 0.000 -7.622) 10.734 16.098 ( -9.129 0.000 12.288) 15.308 17.184 ( 83.643 0.000 -81.894) 117.059 18.127 ( 8.412 0.000 -2.559) 8.792 18.266 ( 17.720 0.000 -29.973) 34.820 19.722 ( 4.391 0.000 27.005) 27.360 22.697 ( -5.910 0.000 -4.779) 7.601 28.432 ( -72.536 0.000 76.582) 105.481 28.926 ( -10.465 0.000 20.389) 22.918 30.652 ( 4.774 0.000 -3.410) 5.867 31.319 ( 9.563 0.000 -17.096) 19.589 31.563 ( 5.811 0.000 -11.558) 12.937 31.709 ( -0.053 0.000 -1.897) 1.898 31.801 ( -9.423 0.000 23.462) 25.283 34.205 ( -3.943 0.000 1.431) 4.194 34.851 ( -30.219 0.000 39.731) 49.917 38.102 ( -26.186 0.000 -6.345) 26.944 39.179 ( -19.393 0.000 3.683) 19.739 40.326 ( -9.423 0.000 -12.352) 15.536 40.810 ( 22.758 0.000 -2.191) 22.863 41.173 ( 54.422 0.000 -33.944) 64.140 42.064 ( 11.488 0.000 7.161) 13.537 43.810 ( -1.092 0.000 -2.562) 2.785 ======================= Grid point 101 (33/180) ======================= q-point: ( 0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 40.816 0.000 0.837) 40.825 2.217 ( 42.855 0.000 17.218) 46.184 3.431 ( 55.998 0.000 42.424) 70.254 5.482 ( 0.522 0.000 7.039) 7.059 5.560 ( 1.665 0.000 -2.372) 2.898 6.057 ( 2.600 0.000 -12.178) 12.453 6.546 ( 0.454 0.000 -12.996) 13.004 6.556 ( 0.409 0.000 -26.037) 26.040 8.003 ( 1.715 0.000 31.535) 31.581 8.092 ( -3.036 0.000 3.852) 4.905 9.098 ( -14.052 0.000 10.342) 17.447 9.785 ( -3.101 0.000 -4.979) 5.865 13.848 ( 20.678 0.000 -2.265) 20.802 14.137 ( -8.401 0.000 -7.178) 11.049 15.834 ( -16.559 0.000 11.298) 20.046 17.646 ( -9.734 0.000 -11.849) 15.334 18.727 ( 25.976 0.000 -24.505) 35.711 18.891 ( 45.947 0.000 -48.138) 66.546 19.850 ( 7.925 0.000 23.237) 24.551 22.521 ( -11.271 0.000 -5.291) 12.451 27.495 ( -22.516 0.000 73.872) 77.227 28.756 ( -9.458 0.000 14.911) 17.658 30.786 ( 8.146 0.000 -2.368) 8.483 31.171 ( -14.931 0.000 6.556) 16.307 31.653 ( 0.139 0.000 -5.500) 5.502 31.673 ( -5.544 0.000 11.088) 12.396 31.794 ( 11.361 0.000 -6.889) 13.286 34.092 ( -7.028 0.000 0.811) 7.075 35.012 ( 30.936 0.000 0.614) 30.943 37.498 ( -30.743 0.000 -7.503) 31.646 38.649 ( -30.956 0.000 6.087) 31.549 39.955 ( -22.490 0.000 -5.409) 23.131 41.345 ( 27.631 0.000 -2.404) 27.735 41.977 ( 28.961 0.000 -19.452) 34.887 42.333 ( 13.597 0.000 5.760) 14.766 43.754 ( -4.214 0.000 -0.687) 4.270 ======================= Grid point 102 (34/180) ======================= q-point: ( 0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 40.140 0.000 -9.529) 41.255 3.079 ( 41.295 0.000 10.871) 42.702 4.528 ( 49.914 0.000 30.237) 58.358 5.481 ( -1.396 0.000 4.259) 4.482 5.527 ( -4.495 0.000 -5.982) 7.483 6.095 ( 1.269 0.000 -16.377) 16.426 6.521 ( -4.220 0.000 -16.149) 16.691 6.635 ( 8.875 0.000 -10.071) 13.423 8.005 ( -6.729 0.000 2.276) 7.104 8.111 ( 9.421 0.000 24.973) 26.691 8.755 ( -19.380 0.000 11.886) 22.735 9.680 ( -7.645 0.000 -2.952) 8.195 14.012 ( -3.111 0.000 -5.170) 6.034 14.359 ( 28.808 0.000 -4.236) 29.118 15.444 ( -21.274 0.000 10.047) 23.527 17.327 ( -20.014 0.000 -4.410) 20.494 19.262 ( 25.432 0.000 -17.968) 31.139 19.696 ( 34.815 0.000 -31.082) 46.671 20.025 ( 8.655 0.000 17.360) 19.398 22.244 ( -15.851 0.000 -6.224) 17.029 27.304 ( 0.131 0.000 51.868) 51.868 28.530 ( -12.659 0.000 16.934) 21.143 30.908 ( -9.503 0.000 7.418) 12.056 30.969 ( 9.508 0.000 -0.950) 9.555 31.519 ( -9.550 0.000 10.427) 14.139 31.627 ( -2.167 0.000 -2.578) 3.368 32.106 ( 18.382 0.000 -8.212) 20.133 33.925 ( -9.400 0.000 -0.411) 9.409 35.800 ( 43.253 0.000 -9.940) 44.380 36.921 ( -24.762 0.000 -7.321) 25.821 37.978 ( -33.949 0.000 6.576) 34.580 39.462 ( -25.769 0.000 -5.514) 26.352 41.878 ( 24.100 0.000 -1.757) 24.164 42.465 ( 20.290 0.000 -9.830) 22.546 42.578 ( 9.937 0.000 4.234) 10.801 43.646 ( -6.317 0.000 -0.070) 6.317 ======================= Grid point 103 (35/180) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( 35.941 0.000 -13.341) 38.337 3.876 ( 36.768 0.000 7.042) 37.436 5.081 ( -7.178 0.000 -2.758) 7.690 5.385 ( -9.159 0.000 2.498) 9.494 5.732 ( 36.214 0.000 12.989) 38.472 6.120 ( 1.639 0.000 -17.386) 17.463 6.399 ( -6.888 0.000 -9.162) 11.462 6.885 ( 14.225 0.000 -7.660) 16.157 7.796 ( -13.561 0.000 6.090) 14.866 8.326 ( -22.273 0.000 12.447) 25.515 8.381 ( 16.601 0.000 16.745) 23.579 9.466 ( -13.403 0.000 0.056) 13.403 14.031 ( 5.187 0.000 -1.915) 5.529 14.988 ( 32.328 0.000 -4.658) 32.662 14.994 ( -22.319 0.000 8.081) 23.737 16.858 ( -25.826 0.000 -3.403) 26.049 19.727 ( 19.808 0.000 -10.937) 22.627 20.170 ( 4.893 0.000 10.223) 11.334 20.351 ( 30.118 0.000 -19.706) 35.992 21.880 ( -19.817 0.000 -7.695) 21.259 27.413 ( 9.340 0.000 38.019) 39.150 28.249 ( -14.688 0.000 20.073) 24.873 30.804 ( -0.654 0.000 7.096) 7.126 31.161 ( 9.158 0.000 0.236) 9.161 31.297 ( -11.807 0.000 9.910) 15.415 31.568 ( -3.731 0.000 -1.102) 3.891 32.521 ( 21.897 0.000 -7.728) 23.221 33.702 ( -12.901 0.000 -2.406) 13.124 36.541 ( -11.545 0.000 -5.194) 12.660 36.692 ( 43.392 0.000 -11.679) 44.936 37.310 ( -30.751 0.000 5.436) 31.228 38.907 ( -28.990 0.000 -7.030) 29.830 42.306 ( 17.734 0.000 -0.845) 17.754 42.721 ( 3.912 0.000 2.765) 4.790 42.826 ( 15.459 0.000 -5.148) 16.294 43.501 ( -7.933 0.000 -0.286) 7.938 ======================= Grid point 104 (36/180) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.155 ( 30.588 0.000 -14.103) 33.683 4.559 ( 30.094 0.000 4.262) 30.394 4.714 ( -24.000 0.000 -12.367) 26.999 5.081 ( -20.710 0.000 2.381) 20.847 6.174 ( 3.672 0.000 -13.750) 14.232 6.269 ( -5.643 0.000 -9.464) 11.018 6.518 ( 35.689 0.000 9.949) 37.050 7.039 ( -8.801 0.000 -5.001) 10.123 7.586 ( 1.912 0.000 13.715) 13.847 7.880 ( -20.665 0.000 10.952) 23.387 8.756 ( 19.443 0.000 9.752) 21.751 9.143 ( -18.010 0.000 4.252) 18.505 14.222 ( 13.441 0.000 1.788) 13.559 14.562 ( -19.529 0.000 5.264) 20.226 15.650 ( 32.380 0.000 -4.320) 32.667 16.288 ( -29.994 0.000 -3.706) 30.222 20.050 ( 11.703 0.000 -3.953) 12.352 20.197 ( -2.729 0.000 2.984) 4.043 20.929 ( 26.822 0.000 -13.510) 30.032 21.440 ( -23.441 0.000 -9.937) 25.460 27.650 ( 13.480 0.000 29.584) 32.511 27.944 ( -15.058 0.000 24.075) 28.396 30.871 ( 6.803 0.000 7.784) 10.338 31.059 ( -11.077 0.000 8.900) 14.210 31.334 ( 7.730 0.000 0.620) 7.755 31.472 ( -5.752 0.000 0.085) 5.753 32.973 ( 21.947 0.000 -6.704) 22.948 33.387 ( -18.198 0.000 -4.832) 18.828 36.482 ( 6.014 0.000 -1.320) 6.157 36.770 ( -21.399 0.000 2.679) 21.566 37.535 ( 39.071 0.000 -10.789) 40.534 38.273 ( -33.604 0.000 -8.987) 34.786 42.593 ( 10.455 0.000 0.213) 10.457 42.731 ( -3.082 0.000 1.416) 3.392 43.103 ( 12.052 0.000 -2.589) 12.326 43.322 ( -9.663 0.000 -1.100) 9.726 ======================= Grid point 110 (37/180) ======================= q-point: ( 0.00 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.000 31.060 32.537) 44.982 1.417 ( 0.000 34.025 33.215) 47.550 2.178 ( 0.000 46.701 54.058) 71.437 5.415 ( 0.000 -5.455 12.397) 13.544 5.587 ( 0.000 11.221 -0.230) 11.224 5.967 ( 0.000 -5.759 -5.838) 8.200 6.157 ( 0.000 -12.565 -25.667) 28.578 6.871 ( 0.000 10.707 -20.568) 23.188 8.063 ( 0.000 4.552 30.291) 30.631 8.171 ( 0.000 -18.540 9.895) 21.016 9.279 ( 0.000 -9.882 8.290) 12.899 9.840 ( 0.000 0.487 -6.829) 6.846 13.777 ( 0.000 2.989 6.204) 6.887 13.903 ( 0.000 -30.387 30.987) 43.400 14.639 ( 0.000 21.968 -7.256) 23.135 18.037 ( 0.000 -3.558 -32.691) 32.884 18.095 ( 0.000 0.608 2.606) 2.676 18.984 ( 0.000 104.280 -89.653) 137.521 19.612 ( 0.000 -6.308 28.562) 29.250 22.707 ( 0.000 -4.808 -4.660) 6.696 28.034 ( 0.000 -58.070 75.418) 95.184 29.040 ( 0.000 3.775 16.706) 17.128 30.446 ( 0.000 -19.349 -17.844) 26.321 31.528 ( 0.000 -4.003 -3.001) 5.003 31.702 ( 0.000 1.372 -4.081) 4.306 31.946 ( 0.000 5.087 15.674) 16.479 32.693 ( 0.000 69.094 -67.171) 96.364 34.356 ( 0.000 9.987 -0.343) 9.993 36.164 ( 0.000 -6.132 9.471) 11.283 37.668 ( 0.000 -59.094 51.800) 78.584 38.424 ( 0.000 1.327 -5.538) 5.695 39.956 ( 0.000 -14.364 -20.200) 24.786 40.716 ( 0.000 5.123 5.841) 7.769 41.219 ( 0.000 37.451 -11.547) 39.190 41.879 ( 0.000 -5.134 8.014) 9.518 43.766 ( 0.000 -4.270 -3.570) 5.565 ======================= Grid point 111 (38/180) ======================= q-point: ( 0.09 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 9.654 24.960 28.947) 39.422 1.676 ( 27.378 23.321 26.458) 44.648 2.788 ( 45.956 38.890 41.647) 73.204 5.418 ( 0.335 -5.528 10.879) 12.208 5.586 ( -0.279 8.110 -1.494) 8.252 6.019 ( 4.474 -6.737 -5.366) 9.706 6.181 ( 2.286 -7.944 -25.197) 26.519 6.857 ( -1.398 10.048 -19.092) 21.619 8.026 ( -4.293 -1.610 21.130) 21.622 8.117 ( -0.592 -2.857 15.185) 15.463 9.212 ( -6.665 -9.700 9.088) 14.870 9.830 ( -1.104 0.241 -6.328) 6.428 13.588 ( 5.927 2.095 3.601) 7.245 14.519 ( -6.757 17.126 -8.308) 20.198 14.917 ( 48.146 -39.615 13.665) 63.829 18.009 ( 1.977 -6.140 -18.540) 19.630 18.149 ( -1.353 9.046 -13.507) 16.312 18.908 ( 2.268 49.484 -39.819) 63.555 19.876 ( 18.355 21.084 -5.432) 28.477 22.649 ( -5.652 -4.558 -4.822) 8.716 27.770 ( -20.139 -30.355 76.434) 84.671 28.971 ( -6.047 5.277 15.248) 17.231 30.494 ( 4.269 -18.395 -15.017) 24.127 31.460 ( -5.163 -7.970 2.338) 9.780 31.685 ( -2.136 4.634 -5.352) 7.395 31.861 ( -8.207 10.719 12.416) 18.342 32.514 ( -17.901 62.114 -34.644) 73.340 34.319 ( -7.925 11.472 2.763) 14.214 34.917 ( -28.571 5.408 32.896) 43.905 38.104 ( -26.854 0.127 -7.366) 27.846 38.672 ( 22.310 -39.777 6.547) 46.074 39.964 ( -1.697 -25.946 -9.878) 27.814 40.865 ( 18.318 4.824 1.135) 18.977 41.222 ( 7.784 7.839 -4.572) 11.956 42.245 ( 23.717 9.101 -3.628) 25.661 43.757 ( -1.246 -4.736 -2.697) 5.591 ======================= Grid point 112 (39/180) ======================= q-point: ( 0.18 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 34.620 3.700 8.652) 35.876 2.349 ( 36.520 13.190 17.182) 42.460 3.795 ( 50.851 29.723 30.941) 66.533 5.427 ( 0.299 -5.492 7.869) 9.601 5.558 ( -3.058 0.512 -4.598) 5.546 6.119 ( 4.873 -6.587 -5.233) 9.722 6.247 ( 3.802 -0.745 -24.719) 25.021 6.823 ( -1.485 9.043 -12.951) 15.865 7.944 ( -3.167 -4.849 10.426) 11.927 8.154 ( 3.351 5.598 17.154) 18.352 9.013 ( -12.666 -7.945 10.787) 18.437 9.784 ( -3.735 -0.543 -4.947) 6.222 13.891 ( 21.499 4.951 -2.835) 22.243 14.328 ( -9.119 17.113 -8.124) 21.024 15.498 ( 7.738 -21.684 11.869) 25.903 17.942 ( -15.091 18.215 -3.211) 23.871 18.244 ( 19.426 -22.734 -24.405) 38.598 19.175 ( 20.300 6.804 -8.692) 23.107 20.227 ( 15.886 30.601 -15.619) 37.851 22.483 ( -10.552 -3.640 -5.326) 12.368 27.443 ( -9.611 -1.194 63.575) 64.309 28.812 ( -9.426 5.462 15.198) 18.700 30.593 ( 4.606 -16.984 -10.353) 20.417 31.319 ( -9.890 -11.750 19.307) 24.670 31.586 ( -5.243 20.346 -7.881) 22.440 31.717 ( -3.530 6.351 0.222) 7.269 32.234 ( -5.989 29.423 -4.337) 30.338 34.096 ( -9.957 1.279 4.167) 10.869 35.138 ( 31.856 11.378 -3.779) 34.038 37.490 ( -31.055 -0.910 -8.808) 32.293 38.502 ( -26.240 -13.225 6.484) 30.091 39.821 ( -13.277 -14.826 -4.735) 20.458 41.356 ( 26.129 0.740 -1.561) 26.186 41.560 ( 22.084 -19.053 -1.171) 29.190 42.653 ( 16.232 14.540 -4.994) 22.357 43.707 ( -3.720 -4.398 -1.304) 5.906 ======================= Grid point 113 (40/180) ======================= q-point: ( 0.27 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 38.830 -6.086 -4.028) 39.510 3.104 ( 36.898 5.210 11.934) 39.128 4.783 ( 43.464 19.843 20.468) 51.979 5.401 ( -3.340 -6.057 1.019) 6.991 5.469 ( -4.381 -5.077 -2.382) 7.116 6.207 ( 3.720 2.217 -6.445) 7.765 6.295 ( -0.127 -5.236 -24.188) 24.749 6.840 ( 4.661 10.141 -3.799) 11.789 7.882 ( -4.108 -6.841 1.804) 8.181 8.249 ( 6.466 8.226 17.480) 20.373 8.708 ( -16.928 -4.212 13.212) 21.883 9.667 ( -8.032 -1.354 -2.731) 8.591 14.136 ( -3.212 11.496 -5.928) 13.327 14.472 ( 28.871 10.643 -4.828) 31.147 15.380 ( -15.160 -4.224 11.049) 19.229 17.559 ( -21.873 19.686 -4.018) 29.701 18.750 ( 27.667 -34.760 -13.248) 46.360 19.601 ( 19.383 -5.553 1.861) 20.248 20.538 ( 15.193 31.085 -16.761) 38.445 22.228 ( -14.233 -1.503 -6.242) 15.614 27.380 ( 2.450 7.647 47.383) 48.058 28.590 ( -12.325 5.814 17.058) 21.833 30.651 ( 0.944 -14.974 -4.076) 15.547 31.143 ( -5.409 -5.167 17.347) 18.891 31.520 ( -3.010 13.488 -2.250) 14.002 31.669 ( -1.796 4.352 -2.446) 5.306 32.261 ( 8.160 11.428 -4.167) 14.648 33.892 ( -10.715 -2.475 0.636) 11.015 35.920 ( 42.210 10.890 -11.298) 45.033 36.911 ( -24.474 -0.930 -8.599) 25.957 37.875 ( -32.781 -9.218 7.569) 34.884 39.455 ( -21.776 -1.811 -5.314) 22.488 41.857 ( 22.450 -3.183 -1.442) 22.720 42.003 ( 20.030 -22.771 1.521) 30.365 42.921 ( 10.568 14.210 -3.798) 18.111 43.611 ( -5.563 -3.273 -0.713) 6.494 ======================= Grid point 114 (41/180) ======================= q-point: ( 0.36 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 35.566 -9.149 -10.253) 38.128 3.824 ( 33.424 -1.740 9.434) 34.773 5.053 ( -13.460 -4.140 -9.178) 16.809 5.344 ( -9.901 -5.243 4.894) 12.226 5.730 ( 30.068 1.901 5.656) 30.654 6.240 ( -3.827 -7.684 -18.150) 20.077 6.313 ( 9.717 12.303 -3.450) 16.052 7.028 ( 12.747 10.356 -1.903) 16.534 7.731 ( -11.063 -4.882 1.110) 12.143 8.282 ( -16.637 -3.185 10.935) 20.162 8.495 ( 9.738 8.656 17.706) 21.983 9.453 ( -12.960 -1.156 0.485) 13.021 14.126 ( 3.408 9.004 -2.418) 9.926 14.998 ( -20.407 1.064 8.827) 22.260 15.125 ( 33.603 12.723 -5.089) 36.290 17.062 ( -26.899 18.290 -3.834) 32.753 19.296 ( 24.922 -32.797 -6.261) 41.664 19.900 ( 9.020 -12.520 5.087) 16.247 20.859 ( 16.564 27.197 -16.282) 35.765 21.913 ( -16.522 2.809 -7.736) 18.459 27.507 ( 9.378 9.036 35.852) 38.144 28.318 ( -14.219 6.603 19.848) 25.293 30.668 ( 2.001 -11.298 2.380) 11.718 31.059 ( -4.955 -11.581 12.539) 17.774 31.469 ( -0.828 16.277 -0.174) 16.299 31.629 ( -2.373 5.781 -1.122) 6.350 32.534 ( 17.519 0.870 -6.232) 18.615 33.646 ( -13.765 -4.780 -1.939) 14.700 36.505 ( -8.622 -2.942 -5.478) 10.630 36.819 ( 39.068 11.079 -12.781) 42.572 37.233 ( -29.077 -6.796 6.347) 30.528 38.957 ( -27.109 4.078 -7.079) 28.314 42.248 ( 15.632 -6.824 -0.355) 17.060 42.344 ( 13.009 -20.018 2.792) 24.037 43.096 ( 6.969 11.749 -3.248) 14.041 43.486 ( -6.547 -1.353 -0.908) 6.747 ======================= Grid point 115 (42/180) ======================= q-point: ( 0.45 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.054 ( 29.073 -10.535 -12.089) 33.202 4.393 ( 13.589 -11.834 4.226) 18.509 4.731 ( -8.315 -0.743 -9.787) 12.864 5.035 ( -19.928 -4.352 5.171) 21.042 6.070 ( 6.524 -5.927 -12.064) 14.941 6.162 ( -3.797 -7.689 -12.874) 15.468 6.745 ( 27.978 16.343 4.530) 32.717 7.192 ( -8.017 12.157 -5.135) 15.442 7.554 ( 4.487 -2.729 11.703) 12.828 7.875 ( -20.308 -0.373 11.786) 23.484 8.799 ( 17.114 4.043 10.306) 20.383 9.149 ( -16.616 0.661 4.823) 17.314 14.283 ( 11.845 5.880 1.762) 13.341 14.594 ( -18.273 3.367 5.711) 19.438 15.814 ( 33.542 15.050 -4.862) 37.084 16.472 ( -30.949 16.817 -4.260) 35.479 19.726 ( 16.639 -26.480 -1.183) 31.297 19.946 ( -4.529 -19.094 2.976) 19.848 21.208 ( 17.554 19.237 -13.341) 29.261 21.566 ( -17.504 10.071 -10.078) 22.570 27.739 ( 13.043 8.501 28.352) 32.346 28.023 ( -14.553 7.561 23.401) 28.576 30.756 ( 6.548 -10.310 6.270) 13.729 30.916 ( -8.417 -11.725 9.350) 17.198 31.499 ( 3.136 13.170 0.206) 13.539 31.570 ( -3.413 8.735 -0.009) 9.378 32.928 ( 20.256 -4.162 -6.106) 21.562 33.323 ( -18.027 -5.685 -4.460) 19.421 36.450 ( 5.285 -3.053 -1.281) 6.236 36.715 ( -20.043 -4.950 3.145) 20.884 37.635 ( 38.038 9.246 -11.279) 40.738 38.352 ( -32.478 7.122 -9.243) 34.511 42.480 ( 6.851 -10.768 1.239) 12.822 42.515 ( 3.476 -15.721 2.652) 16.317 43.223 ( 5.994 7.432 -2.733) 9.931 43.351 ( -6.601 2.187 -1.724) 7.164 ======================= Grid point 121 (43/180) ======================= q-point: ( 0.00 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 0.000 34.512 21.664) 40.748 2.190 ( 0.000 38.222 20.837) 43.533 3.288 ( 0.000 56.368 27.683) 62.799 5.250 ( 0.000 -10.179 13.698) 17.066 5.559 ( 0.000 -24.974 -10.939) 27.265 5.918 ( 0.000 20.447 -0.770) 20.461 6.202 ( 0.000 7.944 -16.843) 18.623 6.968 ( 0.000 -1.214 -8.613) 8.698 7.876 ( 0.000 -12.054 4.088) 12.729 8.219 ( 0.000 9.666 14.666) 17.565 8.991 ( 0.000 -16.932 10.606) 19.979 9.812 ( 0.000 -3.894 -6.917) 7.938 13.654 ( 0.000 -1.254 13.207) 13.267 13.853 ( 0.000 3.897 5.038) 6.369 15.260 ( 0.000 36.523 -9.037) 37.625 17.927 ( 0.000 -7.243 -33.252) 34.031 18.107 ( 0.000 1.400 6.099) 6.257 19.414 ( 0.000 -12.829 29.298) 31.984 20.401 ( 0.000 44.857 -55.298) 71.204 22.561 ( 0.000 -9.255 -4.965) 10.503 27.558 ( 0.000 2.167 52.369) 52.414 29.201 ( 0.000 10.988 14.428) 18.136 29.982 ( 0.000 -24.560 -13.087) 27.829 31.268 ( 0.000 -18.674 11.993) 22.194 31.756 ( 0.000 4.486 -3.070) 5.436 32.136 ( 0.000 10.191 0.972) 10.237 33.669 ( 0.000 33.153 -45.789) 56.531 34.616 ( 0.000 13.970 -6.181) 15.276 35.993 ( 0.000 -9.688 12.824) 16.072 36.875 ( 0.000 -24.904 32.867) 41.237 38.466 ( 0.000 2.837 -6.779) 7.348 39.575 ( 0.000 -19.748 -17.855) 26.623 40.809 ( 0.000 4.512 11.749) 12.585 41.729 ( 0.000 -9.172 8.572) 12.554 41.850 ( 0.000 26.156 -6.233) 26.889 43.635 ( 0.000 -8.383 -3.640) 9.139 ======================= Grid point 122 (44/180) ======================= q-point: ( 0.09 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -4.865 38.911 20.161) 44.093 2.244 ( 18.152 30.176 18.804) 39.920 3.694 ( 33.058 45.193 23.220) 60.617 5.248 ( 0.043 -10.713 11.302) 15.572 5.583 ( 0.630 -21.357 -10.779) 23.931 5.876 ( -1.179 15.034 -1.053) 15.117 6.304 ( 7.360 10.049 -16.728) 20.856 6.948 ( -1.626 -0.718 -5.613) 5.888 7.866 ( -1.031 -9.645 1.158) 9.769 8.234 ( 1.752 8.878 13.834) 16.531 8.939 ( -4.954 -15.550 11.446) 19.934 9.798 ( -1.604 -4.093 -6.268) 7.657 13.672 ( 10.359 6.088 1.481) 12.106 14.402 ( 37.906 -9.262 10.332) 40.366 15.129 ( -10.662 32.626 -8.391) 35.335 17.859 ( -7.240 -7.476 -11.814) 15.744 18.216 ( 10.029 0.638 -11.733) 15.448 19.278 ( -9.152 -0.873 21.427) 23.316 20.563 ( 12.854 34.141 -43.605) 56.853 22.512 ( -4.791 -8.672 -5.069) 11.129 27.550 ( -0.478 6.029 50.293) 50.655 29.137 ( -5.910 10.705 14.628) 19.066 30.037 ( 5.093 -24.190 -12.104) 27.525 31.177 ( -7.945 -17.951 13.925) 24.068 31.759 ( 0.079 4.211 -3.059) 5.205 32.116 ( -1.830 11.486 -0.634) 11.648 33.483 ( -21.388 31.750 -36.247) 52.720 34.675 ( -14.510 21.729 1.764) 26.188 35.027 ( -18.205 4.552 17.955) 25.971 37.863 ( 44.034 -35.190 10.505) 57.338 38.109 ( -29.172 -0.164 -10.322) 30.945 39.470 ( -11.070 -21.178 -2.864) 24.068 40.944 ( 14.909 3.044 4.293) 15.810 41.432 ( -7.900 9.508 3.854) 12.949 42.384 ( 27.728 6.257 -3.401) 28.628 43.623 ( -1.236 -8.210 -3.237) 8.911 ======================= Grid point 123 (45/180) ======================= q-point: ( 0.18 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 13.700 24.035 14.031) 31.020 2.725 ( 27.485 21.954 12.470) 37.322 4.438 ( 37.436 28.298 15.451) 49.406 5.253 ( 0.319 -10.978 9.508) 14.526 5.515 ( -7.023 -9.757 -12.354) 17.237 5.948 ( 7.591 4.426 -0.122) 8.789 6.416 ( 2.282 6.848 -18.242) 19.618 6.934 ( 1.518 3.737 1.236) 4.218 7.831 ( -2.340 -5.783 -4.644) 7.777 8.295 ( 3.914 6.117 11.684) 13.757 8.801 ( -8.137 -10.653 14.055) 19.423 9.739 ( -4.356 -4.342 -4.497) 7.619 14.055 ( 25.323 10.330 -4.133) 27.659 14.764 ( -9.106 21.536 -10.938) 25.814 15.198 ( 20.129 -4.548 13.407) 24.609 17.760 ( 1.866 -19.005 -1.776) 19.178 18.314 ( -4.957 11.670 -13.214) 18.313 19.230 ( 7.001 0.421 13.604) 15.305 20.836 ( 13.208 25.637 -31.214) 42.498 22.374 ( -8.456 -6.753 -5.415) 12.101 27.558 ( 1.653 12.710 44.473) 46.283 28.979 ( -9.337 10.509 15.805) 21.152 30.165 ( 6.724 -23.098 -10.179) 26.122 30.994 ( -8.978 -17.881 17.840) 26.806 31.752 ( -0.746 4.276 -3.394) 5.510 32.071 ( -2.352 15.665 -4.510) 16.470 32.890 ( -28.649 30.378 -9.733) 42.875 34.175 ( -18.150 6.408 10.908) 22.125 35.445 ( 34.125 17.732 -12.215) 40.351 37.457 ( -31.988 -2.353 -12.963) 34.594 38.156 ( -14.285 -19.271 7.661) 25.181 39.357 ( 1.920 -26.672 3.265) 26.940 41.290 ( 13.641 -3.908 -1.239) 14.243 41.479 ( 14.670 6.011 5.517) 16.786 42.848 ( 17.787 5.536 -4.320) 19.123 43.584 ( -2.610 -7.252 -2.493) 8.100 ======================= Grid point 124 (46/180) ======================= q-point: ( 0.27 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 26.416 3.786 6.106) 27.376 3.308 ( 28.798 13.443 7.615) 32.681 5.039 ( 9.099 -4.290 2.233) 10.305 5.316 ( 14.658 1.781 9.801) 17.723 5.353 ( -7.114 -6.360 -10.557) 14.231 6.110 ( 5.283 2.019 -5.425) 7.836 6.425 ( 2.683 6.320 -9.400) 11.641 7.032 ( 7.617 9.406 3.140) 12.504 7.772 ( -3.749 -3.695 -9.700) 11.036 8.349 ( -0.822 -2.179 8.188) 8.512 8.648 ( -4.564 2.152 19.004) 19.662 9.615 ( -7.874 -3.902 -1.758) 8.962 14.444 ( -1.111 16.778 -8.092) 18.660 14.781 ( 26.573 18.756 -6.925) 33.255 15.341 ( -6.474 1.227 13.651) 15.158 17.980 ( -1.091 2.309 3.790) 4.571 18.078 ( 3.720 -12.811 -10.706) 17.105 19.465 ( 11.959 -7.248 8.576) 16.404 21.095 ( 12.378 21.992 -23.693) 34.615 22.182 ( -10.115 -2.994 -6.144) 12.208 27.629 ( 5.439 16.397 36.940) 40.780 28.766 ( -11.500 11.046 17.677) 23.806 30.286 ( 4.862 -20.283 -6.702) 21.908 30.840 ( -5.979 -18.730 19.016) 27.353 31.735 ( -0.638 5.092 -4.512) 6.834 32.019 ( -3.296 23.023 -6.356) 24.111 32.506 ( -8.129 12.956 -0.695) 15.311 33.857 ( -14.906 -0.381 3.308) 15.274 36.203 ( 37.087 15.073 -13.408) 42.218 36.889 ( -21.122 -0.801 -13.284) 24.965 37.643 ( -29.781 -12.084 10.244) 33.732 39.324 ( -8.183 -11.880 -2.264) 14.602 41.568 ( 15.618 -13.638 2.850) 20.929 41.853 ( 17.644 -1.259 3.131) 17.964 43.124 ( 9.851 5.861 -3.865) 12.097 43.520 ( -3.472 -5.130 -2.056) 6.527 ======================= Grid point 125 (47/180) ======================= q-point: ( 0.36 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 29.503 -10.583 0.834) 31.355 3.855 ( 23.723 3.500 5.353) 24.570 4.879 ( -14.300 -12.933 -4.986) 19.916 5.200 ( -9.254 -6.044 -1.734) 11.188 5.729 ( 16.331 -4.855 -2.779) 17.262 6.094 ( -3.966 -3.788 -14.848) 15.829 6.664 ( 18.868 18.669 2.167) 26.631 7.229 ( 11.879 8.321 4.814) 15.282 7.656 ( -8.259 -1.500 -11.943) 14.598 8.191 ( -13.168 -5.536 11.418) 18.287 8.695 ( 7.862 10.148 16.579) 20.968 9.420 ( -11.150 -2.064 1.936) 11.503 14.380 ( -0.529 14.654 -4.128) 15.234 15.062 ( -17.611 5.425 10.930) 21.426 15.476 ( 36.674 20.230 -6.593) 42.399 17.525 ( -27.487 24.428 -5.107) 37.126 18.591 ( 28.479 -33.868 1.727) 44.284 19.611 ( 1.185 -15.201 7.228) 16.873 21.341 ( 11.861 18.995 -18.354) 28.954 21.976 ( -9.932 2.828 -7.556) 12.796 27.778 ( 9.114 16.865 30.083) 35.672 28.516 ( -12.923 12.354 19.616) 26.540 30.371 ( 4.183 -17.219 -0.665) 17.732 30.733 ( -5.344 -18.971 15.638) 25.160 31.737 ( 0.895 7.419 -4.990) 8.986 31.929 ( -4.891 23.340 -2.875) 24.020 32.537 ( 9.364 -0.923 -2.560) 9.751 33.539 ( -16.563 -4.764 -0.426) 17.240 36.425 ( -8.896 -4.809 -6.241) 11.884 36.998 ( -9.204 -4.823 0.895) 10.429 37.178 ( 19.809 12.509 -7.968) 24.745 39.028 ( -20.082 1.573 -6.421) 21.142 41.891 ( 14.923 -18.558 4.281) 24.196 42.136 ( 9.634 -7.616 3.584) 12.793 43.270 ( 4.975 5.254 -3.445) 8.015 43.450 ( -3.270 -1.900 -2.108) 4.330 ======================= Grid point 126 (48/180) ======================= q-point: ( 0.45 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( 26.092 -18.513 -1.383) 32.023 4.116 ( -5.272 -16.090 2.254) 17.080 4.697 ( 3.929 -0.946 -4.328) 5.922 4.951 ( -14.745 -2.254 0.612) 14.929 5.942 ( 5.938 -7.662 -10.308) 14.150 6.022 ( -3.052 -5.661 -14.105) 15.502 7.077 ( 19.708 14.473 -4.357) 24.836 7.425 ( -14.245 5.308 -11.232) 18.902 7.520 ( 16.438 3.913 11.550) 20.468 7.874 ( -17.342 0.599 14.524) 22.629 8.909 ( 12.324 6.163 11.338) 17.844 9.172 ( -13.009 1.457 6.413) 14.577 14.459 ( 8.385 10.752 1.384) 13.705 14.710 ( -15.732 7.721 6.668) 18.751 16.219 ( 35.758 22.688 -6.320) 42.817 16.914 ( -32.377 24.156 -5.703) 40.796 19.127 ( 23.108 -29.699 4.008) 37.843 19.495 ( -12.411 -23.252 5.784) 26.985 21.572 ( 10.723 14.966 -13.735) 22.970 21.778 ( -9.711 9.416 -10.037) 16.844 27.993 ( 11.818 15.733 25.044) 31.849 28.249 ( -13.133 14.054 21.798) 29.071 30.474 ( 6.041 -16.542 5.392) 18.417 30.608 ( -6.743 -17.689 10.693) 21.742 31.773 ( 2.600 11.603 -3.593) 12.422 31.839 ( -3.878 17.180 -1.991) 17.724 32.817 ( 16.918 -5.981 -3.814) 18.345 33.183 ( -18.264 -7.003 -2.886) 19.773 36.362 ( 3.969 -5.262 -1.142) 6.689 36.584 ( -17.287 -7.282 4.448) 19.279 37.886 ( 34.850 14.288 -12.823) 39.789 38.532 ( -28.340 9.326 -9.834) 31.414 42.139 ( 8.896 -17.859 4.649) 20.487 42.234 ( -0.083 -13.732 4.372) 14.411 43.343 ( 2.641 3.937 -3.102) 5.665 43.392 ( -2.465 1.600 -2.555) 3.894 ======================= Grid point 132 (49/180) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 0.000 32.297 13.390) 34.962 2.929 ( 0.000 32.153 14.877) 35.428 4.356 ( 0.000 41.024 7.876) 41.774 5.032 ( 0.000 -25.306 -7.331) 26.346 5.048 ( 0.000 -4.461 19.080) 19.595 6.337 ( 0.000 1.265 -16.437) 16.486 6.415 ( 0.000 27.353 -0.780) 27.364 6.893 ( 0.000 -2.128 5.248) 5.663 7.620 ( 0.000 -13.302 0.283) 13.305 8.252 ( 0.000 -15.616 -2.258) 15.778 8.776 ( 0.000 4.853 13.830) 14.657 9.665 ( 0.000 -10.407 -5.914) 11.970 13.715 ( 0.000 5.529 6.186) 8.296 13.918 ( 0.000 1.898 3.708) 4.165 16.072 ( 0.000 40.294 -13.622) 42.534 17.732 ( 0.000 -12.021 -33.657) 35.739 18.174 ( 0.000 5.578 11.190) 12.503 19.088 ( 0.000 -18.376 30.026) 35.203 21.119 ( 0.000 27.925 -28.777) 40.099 22.328 ( 0.000 -13.266 -6.058) 14.584 27.848 ( 0.000 21.893 28.801) 36.177 29.456 ( 0.000 -26.066 -7.058) 27.005 29.486 ( 0.000 16.499 14.593) 22.026 30.827 ( 0.000 -23.167 15.721) 27.998 31.897 ( 0.000 9.089 -2.287) 9.373 32.289 ( 0.000 3.770 -1.548) 4.076 34.222 ( 0.000 22.072 -29.574) 36.903 34.866 ( 0.000 8.043 -16.244) 18.126 35.820 ( 0.000 -4.932 19.765) 20.371 36.466 ( 0.000 -16.896 21.073) 27.010 38.544 ( 0.000 4.896 -8.962) 10.212 39.189 ( 0.000 -17.035 -16.609) 23.792 40.918 ( 0.000 6.271 13.150) 14.568 41.514 ( 0.000 -11.232 9.548) 14.742 42.346 ( 0.000 22.230 -4.422) 22.666 43.422 ( 0.000 -12.236 -3.732) 12.792 ======================= Grid point 133 (50/180) ======================= q-point: ( 0.09 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -5.241 34.939 14.385) 38.147 2.873 ( 11.707 30.317 11.319) 34.413 4.497 ( 12.110 25.095 5.668) 28.435 4.980 ( -0.870 -16.470 4.626) 17.130 5.182 ( 8.022 -7.909 4.702) 12.207 6.277 ( -1.876 17.654 -4.926) 18.424 6.452 ( -0.506 4.548 -8.500) 9.654 6.940 ( 5.141 4.822 4.574) 8.403 7.649 ( 2.472 -11.701 -2.478) 12.213 8.238 ( -1.248 -15.963 -1.209) 16.058 8.770 ( -0.420 6.290 13.928) 15.288 9.649 ( -1.616 -10.281 -5.129) 11.603 13.823 ( 14.321 7.847 -1.124) 16.369 14.305 ( 31.186 -2.087 9.189) 32.578 15.841 ( -18.991 33.849 -15.478) 41.785 17.707 ( -10.348 -7.198 -7.831) 14.840 18.216 ( 10.974 -0.193 -6.422) 12.717 19.150 ( 4.077 -9.409 25.596) 27.574 21.158 ( 3.905 24.399 -28.146) 37.453 22.295 ( -3.140 -12.190 -5.880) 13.893 27.869 ( 2.083 21.952 28.343) 35.910 29.366 ( -5.981 2.526 10.191) 12.083 29.569 ( 5.320 -12.008 -1.247) 13.193 30.755 ( -6.579 -22.270 16.452) 28.459 31.888 ( -0.864 8.314 -2.484) 8.720 32.280 ( -0.767 3.810 -1.930) 4.340 33.947 ( -22.514 15.469 -26.283) 37.908 35.028 ( -41.941 4.096 24.285) 48.637 35.203 ( 25.281 19.332 -19.925) 37.548 37.229 ( 41.384 -26.336 14.435) 51.133 38.105 ( -33.845 -0.363 -16.448) 37.632 39.105 ( -12.848 -13.866 2.840) 19.115 41.006 ( 10.429 3.109 2.794) 11.235 41.542 ( 2.068 1.119 9.576) 9.861 42.566 ( 17.970 11.794 -3.891) 21.844 43.420 ( -0.136 -11.332 -3.526) 11.868 ======================= Grid point 134 (51/180) ======================= q-point: ( 0.18 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -1.680 32.918 12.534) 35.264 3.205 ( 19.288 23.333 7.264) 31.132 4.740 ( 8.095 -5.258 0.813) 9.687 5.001 ( 3.707 -14.439 3.533) 15.320 5.322 ( 4.981 2.109 -2.108) 5.806 6.308 ( 0.332 22.601 2.092) 22.700 6.394 ( 1.269 -5.178 -3.500) 6.378 7.088 ( 8.326 11.491 0.288) 14.193 7.697 ( 1.702 -7.851 -8.613) 11.778 8.207 ( -1.818 -16.298 2.412) 16.576 8.770 ( 0.726 9.301 14.238) 17.023 9.596 ( -3.634 -9.450 -2.886) 10.528 14.283 ( 28.859 10.762 -6.227) 31.423 14.953 ( 25.168 0.273 7.070) 26.144 15.463 ( -13.422 23.479 -10.303) 28.941 17.414 ( -12.074 -14.379 8.438) 20.585 18.473 ( 7.623 4.299 -13.168) 15.811 19.222 ( 4.016 -0.993 19.410) 19.846 21.275 ( 7.361 17.526 -26.251) 32.411 22.210 ( -4.926 -8.943 -5.567) 11.629 27.932 ( 4.064 22.093 26.887) 35.036 29.220 ( -8.325 10.395 16.912) 21.526 29.696 ( 7.011 -19.447 -4.610) 21.180 30.590 ( -8.742 -20.983 17.725) 28.825 31.865 ( -1.308 6.811 -3.544) 7.789 32.268 ( -0.037 3.805 -2.470) 4.536 33.396 ( -29.188 18.280 -16.971) 38.394 34.331 ( -26.097 7.594 16.122) 31.601 35.844 ( 34.794 20.135 -19.839) 44.829 37.393 ( -32.879 -3.646 -18.742) 38.020 37.738 ( 1.674 -20.546 9.011) 22.498 38.861 ( -2.050 -19.328 15.088) 24.606 41.249 ( 9.891 -0.861 -4.936) 11.088 41.635 ( 8.383 7.581 10.712) 15.572 42.931 ( 15.949 3.481 -4.193) 16.854 43.417 ( -0.137 -8.591 -3.005) 9.102 ======================= Grid point 135 (52/180) ======================= q-point: ( 0.27 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 7.172 18.917 9.864) 22.508 3.606 ( 18.619 13.605 4.237) 23.446 4.737 ( -6.264 -18.903 1.624) 19.980 5.121 ( 4.386 -14.831 -9.027) 17.907 5.416 ( 6.198 5.811 -1.356) 8.603 6.168 ( -8.612 -3.448 -5.230) 10.649 6.655 ( 18.338 19.764 9.131) 28.466 7.245 ( 6.756 10.621 -3.413) 13.042 7.705 ( -0.996 -3.916 -13.624) 14.211 8.157 ( -3.187 -13.163 7.601) 15.531 8.809 ( 3.173 10.737 14.460) 18.288 9.500 ( -5.786 -7.245 0.544) 9.288 14.761 ( 4.736 12.692 -10.177) 16.944 15.203 ( 21.502 19.952 -8.766) 30.614 15.435 ( -0.994 8.166 12.583) 15.033 17.423 ( 15.140 -27.008 8.956) 32.231 18.408 ( -13.127 14.953 -7.910) 21.412 19.323 ( 3.924 -6.033 13.109) 14.954 21.447 ( 9.314 12.626 -23.019) 27.857 22.109 ( -4.748 -3.888 -5.684) 8.364 28.035 ( 6.086 22.008 24.539) 33.519 29.032 ( -10.117 13.873 20.119) 26.449 29.842 ( 7.069 -21.357 -3.829) 22.820 30.428 ( -6.827 -20.787 18.029) 28.351 31.845 ( -0.251 5.665 -6.020) 8.271 32.298 ( 3.480 3.881 -2.304) 5.699 32.858 ( -22.655 19.622 -9.249) 31.366 33.877 ( -20.362 1.836 7.397) 21.742 36.461 ( 12.816 7.672 -12.360) 19.388 36.925 ( -1.216 5.951 -21.455) 22.298 37.415 ( -23.424 -9.324 10.723) 27.397 38.989 ( 6.837 -18.624 7.010) 21.042 41.407 ( 7.752 -3.152 -0.521) 8.384 41.843 ( 9.738 0.228 8.450) 12.896 43.187 ( 9.239 0.790 -4.706) 10.399 43.417 ( 0.189 -4.356 -2.293) 4.926 ======================= Grid point 136 (53/180) ======================= q-point: ( 0.36 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 14.525 0.864 7.464) 16.354 3.869 ( 3.928 -5.829 5.066) 8.664 4.618 ( -1.465 -7.479 -2.561) 8.040 5.110 ( -4.701 -4.489 -10.052) 11.971 5.587 ( 9.307 -5.800 -2.629) 11.277 6.010 ( -6.735 -5.806 -7.376) 11.553 7.038 ( 17.484 16.640 1.857) 24.208 7.364 ( 5.246 4.941 -3.204) 7.886 7.663 ( -2.374 1.099 -13.358) 13.612 8.069 ( -5.803 -5.650 12.738) 15.095 8.899 ( 5.662 9.309 13.787) 17.573 9.364 ( -7.535 -3.556 4.644) 9.539 14.683 ( -3.798 13.478 -6.713) 15.529 15.209 ( -15.785 7.983 13.042) 21.977 15.916 ( 38.581 21.460 -9.562) 45.171 17.875 ( 10.886 -18.913 1.662) 21.885 18.058 ( -5.915 9.978 0.703) 11.620 19.300 ( -7.076 -14.227 10.824) 19.226 21.640 ( 9.295 10.170 -18.403) 22.988 22.021 ( -4.010 1.495 -6.892) 8.112 28.180 ( 8.213 21.246 22.078) 31.722 28.814 ( -11.162 15.940 20.766) 28.459 29.975 ( 5.998 -20.413 0.290) 21.278 30.311 ( -5.056 -21.123 16.105) 27.039 31.872 ( 3.229 5.695 -8.636) 10.837 32.396 ( -0.379 16.285 -6.497) 17.537 32.506 ( -5.722 1.833 -1.593) 6.216 33.469 ( -19.994 -2.080 3.141) 20.346 36.317 ( -9.596 -5.202 -7.367) 13.169 36.827 ( -22.036 -8.179 10.407) 25.706 37.534 ( 32.774 18.084 -19.591) 42.249 38.988 ( -7.468 -5.466 -2.409) 9.563 41.598 ( 10.715 -9.252 4.338) 14.807 41.976 ( 2.877 -7.448 7.787) 11.153 43.321 ( 4.492 0.106 -4.810) 6.583 43.423 ( 0.254 -0.419 -1.833) 1.898 ======================= Grid point 137 (54/180) ======================= q-point: ( 0.45 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( 17.790 -13.798 6.196) 23.351 3.727 ( -14.783 -20.093 6.100) 25.680 4.738 ( 10.686 4.922 -5.647) 13.050 4.958 ( -9.807 2.296 -6.867) 12.191 5.759 ( 7.317 -9.264 -6.217) 13.342 5.888 ( -5.719 -7.847 -8.000) 12.581 7.304 ( 8.571 7.216 -15.851) 19.411 7.417 ( -2.116 -1.179 -13.151) 13.372 7.701 ( 8.276 8.640 8.894) 14.908 7.910 ( -9.866 2.751 16.142) 19.118 9.036 ( 7.642 5.732 11.799) 15.181 9.200 ( -8.304 1.078 8.632) 12.027 14.695 ( 5.245 11.033 0.398) 12.223 14.892 ( -13.656 9.073 7.423) 17.998 16.692 ( 36.966 22.024 -8.898) 43.940 17.398 ( -31.966 21.001 -7.978) 39.070 18.551 ( 27.421 -24.932 9.913) 38.363 19.031 ( -19.037 -20.881 10.163) 30.029 21.811 ( 7.304 8.257 -13.507) 17.435 21.934 ( -4.890 5.594 -9.525) 12.080 28.367 ( 10.093 19.736 20.558) 30.232 28.585 ( -11.186 17.840 20.370) 29.297 30.093 ( 5.714 -19.747 6.223) 21.478 30.207 ( -5.405 -20.484 11.831) 24.265 31.983 ( 7.713 8.183 -9.289) 14.585 32.179 ( -11.354 13.885 -8.547) 19.869 32.709 ( 15.542 -3.578 0.867) 15.972 33.068 ( -19.164 -3.672 1.323) 19.557 36.246 ( 3.050 -5.476 -0.853) 6.326 36.434 ( -15.008 -6.698 6.124) 17.538 38.187 ( 29.536 13.918 -15.679) 36.220 38.700 ( -20.303 6.175 -9.889) 23.412 41.812 ( 9.505 -12.891 6.853) 17.421 41.958 ( -4.379 -12.134 7.671) 15.009 43.387 ( 2.307 0.714 -3.839) 4.535 43.419 ( -0.835 1.046 -2.489) 2.826 ======================= Grid point 143 (55/180) ======================= q-point: ( 0.00 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( 0.000 21.554 8.673) 23.233 3.436 ( 0.000 13.245 11.005) 17.220 4.550 ( 0.000 -8.133 2.343) 8.464 4.581 ( 0.000 -14.899 -1.916) 15.022 5.492 ( 0.000 35.150 12.125) 37.182 6.108 ( 0.000 -22.500 -2.638) 22.654 7.018 ( 0.000 12.800 2.148) 12.979 7.034 ( 0.000 32.134 -0.129) 32.134 7.322 ( 0.000 -15.282 -0.531) 15.291 7.707 ( 0.000 -31.819 0.040) 31.819 9.053 ( 0.000 16.840 2.627) 17.044 9.394 ( 0.000 -15.382 -3.110) 15.693 13.837 ( 0.000 5.496 3.460) 6.494 13.918 ( 0.000 -2.038 2.929) 3.568 16.847 ( 0.000 33.214 -22.543) 40.141 17.404 ( 0.000 -20.696 -31.238) 37.472 18.357 ( 0.000 12.539 19.918) 23.536 18.690 ( 0.000 -18.984 28.093) 33.906 21.620 ( 0.000 21.353 -15.418) 26.337 22.015 ( 0.000 -17.098 -8.954) 19.300 28.361 ( 0.000 26.486 12.815) 29.423 28.912 ( 0.000 -26.647 1.289) 26.678 29.875 ( 0.000 21.016 15.456) 26.087 30.339 ( 0.000 -23.519 16.212) 28.565 32.107 ( 0.000 10.265 -1.614) 10.392 32.275 ( 0.000 -5.032 -1.521) 5.257 34.612 ( 0.000 15.979 -22.508) 27.603 34.868 ( 0.000 -7.697 -21.714) 23.038 35.869 ( 0.000 9.473 21.761) 23.734 36.138 ( 0.000 -15.054 18.579) 23.912 38.676 ( 0.000 8.024 -11.853) 14.314 38.884 ( 0.000 -12.394 -14.668) 19.203 41.074 ( 0.000 8.901 12.376) 15.245 41.282 ( 0.000 -10.970 10.914) 15.475 42.772 ( 0.000 19.082 -3.966) 19.490 43.132 ( 0.000 -15.795 -3.826) 16.252 ======================= Grid point 144 (56/180) ======================= q-point: ( 0.09 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 4.947 17.398 7.420) 19.550 3.464 ( 2.868 19.793 10.502) 22.589 4.487 ( -3.309 -12.258 -0.876) 12.727 4.622 ( 1.826 -12.584 1.853) 12.850 5.509 ( 1.213 24.297 5.437) 24.927 6.134 ( 1.990 -17.407 2.563) 17.707 6.900 ( -3.579 26.415 0.844) 26.670 7.195 ( 8.118 17.636 -1.258) 19.455 7.370 ( 4.306 -15.246 -0.934) 15.870 7.731 ( 2.475 -27.725 0.645) 27.842 9.045 ( -0.692 15.965 2.946) 16.249 9.386 ( -0.784 -14.602 -2.036) 14.764 13.959 ( 16.147 4.182 -3.791) 17.105 14.275 ( 28.679 -1.022 9.614) 30.265 16.404 ( -29.165 16.963 -27.951) 43.813 17.572 ( -6.422 -4.853 1.411) 8.172 18.218 ( 6.567 0.317 -0.099) 6.575 18.967 ( 15.610 -6.079 23.114) 28.546 21.593 ( -2.147 17.158 -17.822) 24.832 22.020 ( 0.377 -13.512 -7.420) 15.420 28.367 ( 0.728 24.190 11.902) 26.969 28.961 ( 4.595 -23.986 4.250) 24.789 29.830 ( -4.347 20.153 15.170) 25.596 30.283 ( -5.220 -22.832 16.400) 28.592 32.080 ( -2.493 9.050 -2.468) 9.706 32.268 ( -0.612 -4.364 -0.944) 4.506 34.160 ( -25.986 5.289 -22.088) 34.513 35.041 ( -22.029 -0.358 17.557) 28.172 35.575 ( 19.967 12.248 -24.158) 33.650 36.802 ( 35.753 -13.046 21.489) 43.706 38.096 ( -38.142 -0.323 -22.316) 44.192 38.911 ( -11.299 -4.773 7.889) 14.583 41.063 ( 5.613 1.839 -0.631) 5.940 41.523 ( 14.281 -1.472 14.442) 20.364 42.844 ( 6.727 13.923 -4.887) 16.217 43.163 ( 3.036 -13.067 -3.138) 13.777 ======================= Grid point 145 (57/180) ======================= q-point: ( 0.18 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( -3.675 24.943 9.690) 27.011 3.605 ( 8.899 11.358 5.665) 15.502 4.439 ( -1.475 -15.041 -2.425) 15.306 4.673 ( 4.311 -12.761 1.205) 13.524 5.530 ( 0.800 10.367 -3.837) 11.083 6.139 ( -2.617 -10.534 6.909) 12.866 6.923 ( 6.350 28.702 2.535) 29.505 7.338 ( 5.659 9.035 -6.872) 12.684 7.469 ( 4.666 -14.134 -1.456) 14.956 7.809 ( 5.008 -17.217 2.668) 18.128 9.032 ( -0.470 13.386 4.180) 14.031 9.363 ( -1.399 -12.159 1.043) 12.283 14.455 ( 29.962 4.841 -8.817) 31.606 14.948 ( 33.788 -0.273 13.405) 36.351 15.864 ( -21.678 11.838 -26.962) 36.565 17.187 ( -21.481 -6.537 22.794) 31.996 18.521 ( 13.540 0.879 -13.035) 18.816 19.199 ( 6.617 -0.885 19.200) 20.328 21.566 ( 0.375 9.697 -21.704) 23.775 22.028 ( 0.403 -7.268 -5.179) 8.934 28.398 ( 2.540 20.194 10.759) 23.022 29.081 ( 6.652 -17.864 12.051) 22.552 29.710 ( -7.048 16.302 12.590) 21.770 30.149 ( -7.254 -20.778 16.332) 27.405 32.016 ( -3.510 6.431 -4.875) 8.801 32.259 ( 0.076 -3.109 0.657) 3.179 33.649 ( -24.220 6.215 -20.007) 32.024 34.447 ( -28.934 3.048 17.411) 33.906 36.212 ( 33.383 12.528 -28.145) 45.426 37.314 ( -11.836 -5.119 -1.803) 13.021 37.379 ( -8.046 -9.554 -7.265) 14.450 38.596 ( -10.638 -6.298 23.397) 26.462 41.239 ( 8.853 -0.157 -7.353) 11.510 41.751 ( 7.962 3.072 14.316) 16.667 43.013 ( 8.939 4.049 -6.925) 12.011 43.251 ( 5.255 -6.433 -1.422) 8.427 ======================= Grid point 146 (58/180) ======================= q-point: ( 0.27 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( -5.735 24.833 9.657) 27.255 3.708 ( -0.945 -9.145 6.794) 11.431 4.460 ( 5.231 -3.002 -5.941) 8.466 4.809 ( 8.232 -12.760 -3.721) 15.634 5.543 ( 0.579 5.137 -6.081) 7.981 6.030 ( -7.309 -6.291 4.056) 10.462 7.122 ( 11.519 22.472 3.314) 25.469 7.417 ( 2.079 2.931 -13.642) 14.108 7.551 ( 3.801 -10.851 -0.773) 11.523 7.917 ( 5.045 -7.359 6.072) 10.793 9.033 ( 0.763 9.714 6.555) 11.743 9.329 ( -2.056 -8.337 5.243) 10.061 14.939 ( 7.988 4.387 -10.759) 14.100 15.454 ( 11.953 4.643 13.086) 18.321 15.698 ( 11.957 12.367 -20.120) 26.471 16.967 ( 5.635 -14.563 22.356) 27.270 18.619 ( -4.603 5.230 -10.685) 12.756 19.233 ( -3.277 -2.327 16.870) 17.343 21.628 ( 5.661 4.766 -22.016) 23.227 22.037 ( 0.438 -2.433 -4.666) 5.281 28.473 ( 4.742 17.191 10.901) 20.901 29.189 ( 2.107 -5.033 25.348) 25.928 29.581 ( -3.835 3.602 2.940) 6.027 30.012 ( -5.908 -17.627 15.655) 24.305 31.955 ( -1.876 4.008 -8.540) 9.619 32.289 ( 3.262 -2.235 3.024) 4.978 33.179 ( -21.851 9.116 -18.362) 29.962 33.907 ( -24.490 0.713 11.975) 27.270 36.517 ( -12.761 -0.027 -13.295) 18.428 37.102 ( 0.029 7.664 -5.995) 9.731 37.275 ( 4.157 -4.100 -13.661) 14.857 38.662 ( 11.835 -10.157 19.787) 25.194 41.382 ( 5.598 -0.210 -5.150) 7.610 41.855 ( 2.433 0.571 13.598) 13.825 43.181 ( 7.306 -0.634 -7.696) 10.631 43.356 ( 4.595 -1.441 -0.396) 4.832 ======================= Grid point 147 (59/180) ======================= q-point: ( 0.36 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( -2.106 14.148 9.436) 17.135 3.574 ( -10.214 -19.304 8.514) 23.441 4.648 ( 11.530 6.979 -9.162) 16.297 4.961 ( 5.518 -8.751 -8.773) 13.564 5.558 ( 1.206 1.884 -3.574) 4.216 5.872 ( -7.775 -5.791 0.654) 9.717 7.317 ( 6.284 9.410 -7.588) 13.624 7.429 ( -0.524 0.811 -19.334) 19.358 7.657 ( 7.355 -1.614 7.416) 10.569 7.988 ( 1.416 -1.843 10.106) 10.370 9.066 ( 2.442 6.095 9.254) 11.347 9.278 ( -2.973 -4.084 8.987) 10.309 14.887 ( -4.821 5.373 -8.293) 10.995 15.346 ( -15.078 4.052 13.700) 20.771 16.310 ( 38.005 14.009 -17.462) 44.108 17.386 ( 28.696 -17.221 18.777) 38.375 18.367 ( -18.268 10.186 -10.013) 23.189 19.059 ( -13.924 -7.777 16.262) 22.777 21.774 ( 7.881 3.068 -18.094) 19.973 22.040 ( -0.389 0.395 -6.116) 6.141 28.590 ( 6.738 15.201 12.577) 20.849 29.117 ( -7.977 10.147 27.946) 30.783 29.604 ( 4.951 -11.543 1.442) 12.643 29.909 ( -4.436 -15.229 14.295) 21.353 31.963 ( 3.132 2.694 -12.555) 13.217 32.399 ( 7.024 -2.540 5.068) 9.026 32.770 ( -17.568 9.540 -17.375) 26.487 33.440 ( -21.648 -0.947 8.920) 23.432 36.233 ( -9.906 -2.363 -8.120) 13.025 36.702 ( -21.930 -3.320 13.371) 25.898 37.846 ( 31.499 9.825 -28.696) 43.728 38.847 ( 3.680 -5.880 6.405) 9.441 41.496 ( 6.079 -1.679 0.899) 6.370 41.854 ( -2.326 -3.538 12.749) 13.434 43.308 ( 5.164 -0.660 -6.380) 8.235 43.423 ( 1.850 0.086 -0.889) 2.054 ======================= Grid point 148 (60/180) ======================= q-point: ( 0.45 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( 4.010 -0.557 9.269) 10.115 3.364 ( -9.374 -13.457 9.028) 18.721 4.869 ( 9.261 6.307 -10.524) 15.372 4.995 ( -2.503 -0.063 -11.060) 11.340 5.611 ( 4.269 -3.581 -1.523) 5.777 5.724 ( -6.576 -6.311 -1.106) 9.181 7.385 ( 1.535 1.160 -18.514) 18.613 7.410 ( -1.142 0.364 -21.645) 21.678 7.830 ( 8.426 3.380 13.835) 16.548 7.962 ( -4.074 1.603 13.305) 14.006 9.130 ( 3.708 2.945 11.017) 11.992 9.208 ( -3.797 -0.272 11.034) 11.672 14.868 ( 3.706 4.785 -0.531) 6.075 15.040 ( -12.812 4.252 7.555) 15.469 17.074 ( 35.707 12.712 -15.019) 40.770 17.683 ( -17.558 4.074 -6.264) 19.082 18.193 ( 17.972 -6.652 11.474) 22.336 18.678 ( -22.972 -11.410 16.709) 30.612 21.920 ( 6.033 2.489 -13.128) 14.661 22.010 ( -2.797 1.799 -9.018) 9.611 28.745 ( 8.467 13.775 15.910) 22.684 28.930 ( -9.568 12.721 21.103) 26.434 29.719 ( 5.564 -13.393 7.806) 16.470 29.821 ( -4.514 -13.982 11.873) 18.890 32.095 ( 9.922 2.662 -15.169) 18.320 32.348 ( -13.545 2.673 -13.435) 19.264 32.699 ( 12.279 1.699 3.158) 12.792 33.027 ( -18.695 -0.704 7.208) 20.049 36.159 ( 2.632 -2.442 -0.542) 3.631 36.331 ( -13.869 -2.843 7.362) 15.957 38.415 ( 23.512 6.763 -19.856) 31.509 38.772 ( -11.015 1.107 -7.929) 13.617 41.633 ( 7.150 -4.266 7.168) 10.987 41.769 ( -5.805 -5.280 11.031) 13.537 43.391 ( 3.092 -0.025 -4.280) 5.280 43.432 ( -0.863 0.267 -2.308) 2.478 ======================= Grid point 198 (61/180) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 0.000 42.290) 42.290 1.944 ( 0.000 0.000 44.452) 44.452 3.128 ( 0.000 0.000 65.296) 65.296 5.478 ( 0.000 0.000 4.039) 4.039 5.579 ( 0.000 0.000 -28.427) 28.427 5.838 ( 0.000 0.000 21.796) 21.796 5.986 ( 0.000 0.000 -16.387) 16.387 6.234 ( 0.000 0.000 -20.216) 20.216 8.380 ( 0.000 0.000 -9.356) 9.356 8.678 ( 0.000 0.000 29.236) 29.236 9.575 ( 0.000 0.000 10.029) 10.029 9.616 ( 0.000 0.000 -14.404) 14.404 13.948 ( 0.000 0.000 13.223) 13.223 14.219 ( 0.000 0.000 -8.968) 8.968 15.066 ( 0.000 0.000 -17.116) 17.116 16.539 ( 0.000 0.000 19.923) 19.923 17.368 ( 0.000 0.000 -35.523) 35.523 18.185 ( 0.000 0.000 2.562) 2.562 20.259 ( 0.000 0.000 27.751) 27.751 22.616 ( 0.000 0.000 -9.191) 9.191 29.189 ( 0.000 0.000 16.169) 16.169 30.203 ( 0.000 0.000 2.288) 2.288 30.293 ( 0.000 0.000 -15.928) 15.928 30.496 ( 0.000 0.000 -6.313) 6.313 31.182 ( 0.000 0.000 -18.544) 18.544 31.636 ( 0.000 0.000 -5.562) 5.562 32.469 ( 0.000 0.000 26.034) 26.034 34.268 ( 0.000 0.000 -0.022) 0.022 36.474 ( 0.000 0.000 14.913) 14.913 38.266 ( 0.000 0.000 -8.689) 8.689 39.402 ( 0.000 0.000 1.378) 1.378 39.513 ( 0.000 0.000 -0.128) 0.128 40.522 ( 0.000 0.000 -1.532) 1.532 40.621 ( 0.000 0.000 -2.100) 2.100 42.152 ( 0.000 0.000 12.976) 12.976 43.704 ( 0.000 0.000 -6.810) 6.810 ======================= Grid point 199 (62/180) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 2.497 0.000 41.726) 41.801 2.086 ( 22.795 0.000 36.320) 42.881 3.524 ( 33.719 0.000 54.924) 64.448 5.503 ( 1.679 0.000 2.683) 3.165 5.575 ( -0.536 0.000 -28.053) 28.058 5.719 ( -6.591 0.000 5.396) 8.518 6.142 ( 10.057 0.000 -1.431) 10.159 6.223 ( -0.458 0.000 -18.549) 18.555 8.260 ( -8.452 0.000 -3.965) 9.336 8.648 ( -2.653 0.000 28.009) 28.134 9.524 ( -5.449 0.000 10.632) 11.947 9.626 ( 0.783 0.000 -12.958) 12.982 13.693 ( -6.232 0.000 7.176) 9.504 14.128 ( -7.791 0.000 -9.405) 12.213 16.095 ( 69.919 0.000 -33.028) 77.327 16.418 ( -10.776 0.000 17.430) 20.492 17.636 ( 23.830 0.000 -30.168) 38.444 18.160 ( -1.222 0.000 1.817) 2.190 20.274 ( 1.497 0.000 26.273) 26.315 22.551 ( -6.289 0.000 -9.366) 11.282 29.043 ( -16.853 0.000 16.237) 23.403 29.540 ( -24.404 0.000 22.905) 33.470 30.556 ( 5.760 0.000 -5.737) 8.129 30.950 ( 26.335 0.000 -16.248) 30.944 31.249 ( 6.373 0.000 -18.215) 19.298 31.638 ( 0.394 0.000 -5.266) 5.281 32.369 ( -10.081 0.000 28.172) 29.921 34.223 ( -4.449 0.000 -0.308) 4.460 35.586 ( -51.009 0.000 31.565) 59.986 37.930 ( -28.020 0.000 -10.105) 29.787 39.273 ( -15.092 0.000 5.173) 15.954 40.035 ( 10.230 0.000 -12.813) 16.395 40.754 ( 21.550 0.000 -3.027) 21.761 40.803 ( 31.574 0.000 -8.124) 32.603 42.263 ( 9.791 0.000 11.792) 15.327 43.715 ( 0.443 0.000 -6.466) 6.481 ======================= Grid point 200 (63/180) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 19.190 0.000 24.280) 30.948 2.676 ( 33.326 0.000 26.204) 42.394 4.324 ( 42.276 0.000 39.880) 58.118 5.490 ( -4.418 0.000 -4.757) 6.492 5.549 ( -2.378 0.000 -22.830) 22.954 5.624 ( -2.412 0.000 -6.571) 6.999 6.270 ( 6.574 0.000 -9.786) 11.789 6.324 ( 6.996 0.000 2.586) 7.459 8.121 ( -5.259 0.000 -1.890) 5.588 8.595 ( -1.798 0.000 25.195) 25.260 9.348 ( -11.719 0.000 12.914) 17.439 9.633 ( -0.456 0.000 -9.622) 9.633 13.808 ( 15.431 0.000 -1.379) 15.492 13.965 ( -6.776 0.000 -8.726) 11.048 16.126 ( -17.698 0.000 16.087) 23.917 17.183 ( 24.979 0.000 -28.183) 37.660 18.233 ( 32.903 0.000 -22.933) 40.107 18.317 ( 25.137 0.000 -11.228) 27.530 20.318 ( 2.628 0.000 22.123) 22.279 22.364 ( -12.041 0.000 -9.877) 15.574 28.601 ( -20.215 0.000 32.881) 38.598 29.252 ( -9.225 0.000 31.409) 32.735 30.719 ( 9.841 0.000 -4.216) 10.706 31.225 ( 0.573 0.000 -1.851) 1.938 31.416 ( 8.595 0.000 -16.233) 18.368 31.676 ( 4.801 0.000 -5.412) 7.235 32.101 ( -13.703 0.000 28.359) 31.496 34.092 ( -8.202 0.000 -1.261) 8.298 35.113 ( 4.855 0.000 10.483) 11.553 37.299 ( -31.369 0.000 -11.498) 33.410 38.803 ( -29.350 0.000 8.345) 30.513 39.812 ( -21.273 0.000 -8.019) 22.734 41.286 ( 28.250 0.000 -3.035) 28.412 41.608 ( 37.147 0.000 -14.839) 40.001 42.492 ( 11.490 0.000 9.377) 14.831 43.697 ( -2.475 0.000 -4.874) 5.467 ======================= Grid point 201 (64/180) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 28.186 0.000 5.152) 28.653 3.382 ( 35.015 0.000 17.855) 39.305 5.100 ( 18.687 0.000 15.183) 24.078 5.378 ( 8.184 0.000 -3.508) 8.904 5.472 ( -5.259 0.000 -16.874) 17.675 5.623 ( 2.091 0.000 -15.557) 15.697 6.395 ( -0.615 0.000 2.867) 2.932 6.505 ( 15.791 0.000 1.913) 15.907 8.012 ( -6.258 0.000 -2.012) 6.574 8.606 ( 3.478 0.000 21.433) 21.714 9.056 ( -16.827 0.000 16.045) 23.251 9.591 ( -4.053 0.000 -5.461) 6.801 13.895 ( 0.524 0.000 -5.534) 5.558 14.250 ( 26.820 0.000 -6.062) 27.497 15.709 ( -22.977 0.000 14.999) 27.439 17.180 ( -15.193 0.000 -9.762) 18.059 18.909 ( 32.371 0.000 -16.146) 36.174 19.099 ( 42.665 0.000 -24.139) 49.020 20.368 ( 1.863 0.000 16.116) 16.223 22.067 ( -17.076 0.000 -10.713) 20.158 28.320 ( -7.471 0.000 40.761) 41.440 29.066 ( -9.748 0.000 34.886) 36.222 30.937 ( 11.203 0.000 -2.440) 11.466 31.103 ( -7.980 0.000 10.297) 13.028 31.519 ( 1.666 0.000 -8.455) 8.618 31.852 ( -11.767 0.000 22.108) 25.045 31.904 ( 17.096 0.000 -10.323) 19.971 33.893 ( -11.489 0.000 -3.111) 11.902 35.575 ( 35.080 0.000 -10.000) 36.478 36.729 ( -23.234 0.000 -10.939) 25.680 38.143 ( -34.398 0.000 8.915) 35.534 39.309 ( -27.408 0.000 -9.016) 28.853 41.838 ( 25.190 0.000 -1.901) 25.262 42.246 ( 26.249 0.000 -10.495) 28.269 42.694 ( 7.892 0.000 6.855) 10.453 43.614 ( -5.597 0.000 -3.254) 6.474 ======================= Grid point 202 (65/180) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 30.094 0.000 -7.484) 31.010 4.066 ( 31.662 0.000 10.651) 33.406 4.873 ( -20.624 0.000 -15.218) 25.631 5.325 ( -9.576 0.000 -14.015) 16.974 5.706 ( 6.039 0.000 -16.200) 17.289 6.024 ( 34.775 0.000 9.159) 35.961 6.297 ( -8.460 0.000 0.299) 8.465 6.855 ( 16.366 0.000 7.617) 18.052 7.865 ( -6.969 0.000 1.594) 7.149 8.673 ( -20.607 0.000 19.377) 28.287 8.743 ( 9.772 0.000 16.566) 19.233 9.461 ( -8.719 0.000 -0.573) 8.738 13.999 ( 9.816 0.000 -0.660) 9.838 14.856 ( 32.007 0.000 -7.886) 32.965 15.213 ( -25.128 0.000 12.822) 28.210 16.751 ( -25.505 0.000 -6.997) 26.448 19.514 ( 26.552 0.000 -9.739) 28.281 19.913 ( 37.001 0.000 -20.685) 42.391 20.370 ( -2.276 0.000 9.340) 9.614 21.673 ( -21.645 0.000 -11.942) 24.721 28.275 ( 2.443 0.000 40.930) 41.002 28.847 ( -11.636 0.000 37.629) 39.387 31.013 ( 0.026 0.000 12.735) 12.735 31.157 ( 10.051 0.000 -1.276) 10.132 31.519 ( -1.447 0.000 -3.895) 4.155 31.596 ( -13.325 0.000 19.083) 23.275 32.315 ( 22.406 0.000 -11.567) 25.215 33.618 ( -15.834 0.000 -5.937) 16.910 36.386 ( 42.347 0.000 -16.822) 45.566 36.407 ( -7.395 0.000 -7.498) 10.531 37.446 ( -33.165 0.000 7.332) 33.966 38.710 ( -31.563 0.000 -11.768) 33.686 42.290 ( 18.978 0.000 -0.564) 18.986 42.700 ( 18.989 0.000 -6.542) 20.085 42.798 ( 2.058 0.000 4.555) 4.998 43.474 ( -8.125 0.000 -2.521) 8.507 ======================= Grid point 203 (66/180) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.845 ( 28.688 0.000 -14.288) 32.049 4.399 ( -25.582 0.000 -16.775) 30.592 4.645 ( 24.853 0.000 2.468) 24.975 5.065 ( -16.434 0.000 -7.027) 17.874 5.866 ( 9.590 0.000 -12.743) 15.949 6.085 ( -11.458 0.000 -5.767) 12.828 6.646 ( 25.594 0.000 0.316) 25.596 7.001 ( -6.304 0.000 0.516) 6.325 7.868 ( 10.858 0.000 15.772) 19.148 8.235 ( -21.676 0.000 21.362) 30.433 8.981 ( 12.968 0.000 10.907) 16.945 9.244 ( -12.292 0.000 5.013) 13.275 14.286 ( 18.043 0.000 4.598) 18.620 14.713 ( -23.422 0.000 9.282) 25.194 15.523 ( 32.954 0.000 -7.991) 33.909 16.174 ( -30.683 0.000 -7.306) 31.541 19.972 ( 18.297 0.000 -3.582) 18.644 20.254 ( -9.562 0.000 2.685) 9.931 20.604 ( 31.193 0.000 -16.602) 35.336 21.187 ( -26.207 0.000 -13.779) 29.608 28.394 ( 8.661 0.000 39.645) 40.580 28.606 ( -11.663 0.000 38.775) 40.491 31.103 ( 8.353 0.000 14.569) 16.794 31.325 ( -12.776 0.000 16.838) 21.136 31.337 ( 7.542 0.000 -0.989) 7.607 31.460 ( -4.471 0.000 -1.667) 4.772 32.787 ( 23.456 0.000 -10.871) 25.853 33.243 ( -20.855 0.000 -8.920) 22.683 36.449 ( 11.307 0.000 -1.863) 11.460 36.836 ( -25.691 0.000 3.609) 25.943 37.238 ( 40.703 0.000 -17.168) 44.176 38.022 ( -36.195 0.000 -14.883) 39.135 42.604 ( 11.861 0.000 0.894) 11.895 42.772 ( -4.704 0.000 2.571) 5.361 43.033 ( 14.084 0.000 -4.047) 14.654 43.283 ( -10.691 0.000 -2.772) 11.045 ======================= Grid point 209 (67/180) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.000 20.460 36.482) 41.828 2.182 ( 0.000 21.363 39.084) 44.541 3.371 ( 0.000 22.681 56.220) 60.622 5.561 ( 0.000 -6.235 -29.869) 30.512 5.590 ( 0.000 10.327 4.809) 11.392 5.791 ( 0.000 -4.175 21.219) 21.625 5.792 ( 0.000 -6.697 -11.087) 12.953 6.448 ( 0.000 12.865 -21.072) 24.689 8.209 ( 0.000 -13.868 -4.542) 14.593 8.661 ( 0.000 -1.708 27.285) 27.339 9.481 ( 0.000 -8.943 10.410) 13.724 9.622 ( 0.000 0.133 -14.681) 14.682 13.969 ( 0.000 1.830 12.507) 12.640 14.322 ( 0.000 -21.179 6.727) 22.222 14.486 ( 0.000 8.947 -4.402) 9.972 17.331 ( 0.000 -3.561 -35.403) 35.581 17.809 ( 0.000 73.171 -24.044) 77.020 18.242 ( 0.000 11.894 1.019) 11.938 20.196 ( 0.000 -6.127 27.757) 28.425 22.564 ( 0.000 -5.007 -9.312) 10.573 28.931 ( 0.000 -26.397 24.993) 36.352 29.563 ( 0.000 -8.288 28.973) 30.135 30.114 ( 0.000 -14.977 -13.246) 19.994 31.276 ( 0.000 6.209 -17.879) 18.927 31.477 ( 0.000 24.689 -22.077) 33.120 31.811 ( 0.000 35.446 -19.939) 40.670 32.409 ( 0.000 -4.875 25.415) 25.879 34.332 ( 0.000 5.614 -2.334) 6.080 36.430 ( 0.000 -4.066 15.898) 16.409 38.270 ( 0.000 0.388 -9.184) 9.192 38.370 ( 0.000 -52.240 22.156) 56.744 39.618 ( 0.000 -15.119 -12.967) 19.918 40.789 ( 0.000 12.574 1.901) 12.716 41.042 ( 0.000 35.378 -6.377) 35.948 42.102 ( 0.000 -4.749 13.158) 13.989 43.659 ( 0.000 -4.335 -6.849) 8.106 ======================= Grid point 210 (68/180) ======================= q-point: ( 0.09 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -0.517 17.111 38.023) 41.699 2.306 ( 17.579 17.864 33.477) 41.820 3.748 ( 31.785 20.266 46.289) 59.696 5.470 ( -4.945 -5.004 -16.996) 18.394 5.653 ( -5.626 -3.240 4.039) 7.646 5.696 ( 5.215 9.478 -10.476) 15.059 5.933 ( 6.658 -8.088 3.649) 11.093 6.478 ( 3.127 13.326 -16.772) 21.649 8.131 ( -5.913 -11.033 -2.425) 12.751 8.639 ( -1.859 -1.031 25.849) 25.936 9.427 ( -5.212 -8.768 10.664) 14.757 9.633 ( 0.675 0.042 -12.765) 12.783 13.692 ( -4.344 0.417 6.303) 7.666 14.321 ( -8.808 17.171 -10.202) 21.829 15.178 ( 46.310 -32.865 10.372) 57.726 17.369 ( 4.031 13.012 -29.338) 32.347 18.050 ( 22.721 54.653 -31.144) 66.881 18.182 ( -4.830 5.561 2.934) 7.929 20.237 ( 3.748 -3.506 24.400) 24.934 22.502 ( -6.013 -4.737 -9.474) 12.180 28.793 ( -12.352 -19.779 29.596) 37.679 29.452 ( -7.882 0.305 28.131) 29.216 30.237 ( 9.520 -18.873 -9.016) 22.980 31.244 ( 0.061 8.562 -16.873) 18.921 31.506 ( 0.303 9.627 -14.030) 17.018 31.938 ( 9.175 37.853 -20.612) 44.068 32.321 ( -8.806 -3.787 26.446) 28.129 34.304 ( -3.145 7.547 -2.980) 8.702 35.572 ( -48.795 -1.332 29.756) 57.167 37.911 ( -29.179 -1.911 -10.986) 31.237 38.828 ( 13.868 -34.331 8.078) 37.897 39.758 ( 6.806 -19.766 -9.540) 22.979 40.883 ( 13.328 10.449 0.528) 16.944 41.118 ( 10.609 19.939 -5.032) 23.139 42.295 ( 15.542 2.558 7.635) 17.504 43.663 ( 0.040 -4.835 -6.360) 7.989 ======================= Grid point 211 (69/180) ======================= q-point: ( 0.18 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 15.229 9.205 25.755) 31.304 2.794 ( 28.659 10.570 25.185) 39.589 4.489 ( 38.431 14.035 31.449) 51.604 5.353 ( -7.209 -7.537 -17.468) 20.345 5.554 ( -3.648 -4.149 1.290) 5.673 5.761 ( 0.198 11.855 -20.019) 23.267 6.085 ( 8.788 -6.527 7.377) 13.201 6.578 ( 6.461 13.642 -8.233) 17.194 8.016 ( -5.322 -9.486 -1.420) 10.970 8.607 ( -0.660 0.710 22.273) 22.294 9.272 ( -9.946 -6.828 13.194) 17.878 9.634 ( -0.963 -0.372 -9.520) 9.576 13.837 ( 15.960 3.889 -2.116) 16.563 14.137 ( -7.051 14.898 -9.663) 19.106 15.790 ( 9.527 -19.582 15.528) 26.746 17.542 ( 8.824 15.988 -25.895) 31.686 18.082 ( 3.014 -1.517 -0.014) 3.375 18.685 ( 35.309 26.007 -27.818) 51.932 20.333 ( 5.307 1.695 16.685) 17.590 22.325 ( -11.298 -3.762 -9.952) 15.519 28.520 ( -12.273 -5.595 37.767) 40.103 29.295 ( -7.807 4.611 30.470) 31.790 30.439 ( 9.701 -20.033 -4.806) 22.771 31.320 ( 6.987 2.574 -12.258) 14.342 31.474 ( -3.239 6.045 -7.990) 10.529 31.964 ( -11.496 15.427 10.866) 22.096 32.153 ( -1.569 12.530 6.975) 14.426 34.154 ( -11.739 6.198 -0.128) 13.276 35.147 ( 8.132 3.168 6.948) 11.155 37.266 ( -31.616 -3.224 -12.412) 34.118 38.662 ( -23.778 -12.581 8.580) 28.237 39.694 ( -12.974 -11.652 -7.373) 18.933 41.322 ( 25.684 2.988 -1.552) 25.903 41.512 ( 25.418 -5.027 -3.387) 26.130 42.616 ( 14.576 8.825 2.090) 17.167 43.643 ( -2.298 -5.030 -4.943) 7.417 ======================= Grid point 212 (70/180) ======================= q-point: ( 0.27 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 25.845 2.360 8.250) 27.232 3.419 ( 31.830 3.868 18.217) 36.877 5.102 ( -4.900 -2.986 -5.281) 7.798 5.270 ( 22.724 -2.128 2.454) 22.955 5.504 ( -2.302 -3.525 -2.361) 4.827 5.743 ( 0.870 10.325 -24.793) 26.872 6.253 ( 6.053 -3.571 11.263) 13.275 6.750 ( 11.372 14.942 -0.845) 18.796 7.901 ( -6.299 -9.988 -1.249) 11.874 8.626 ( 2.267 0.906 17.992) 18.157 9.034 ( -12.802 -1.560 16.895) 21.255 9.583 ( -4.224 -0.798 -5.320) 6.840 14.004 ( 0.106 10.099 -6.151) 11.825 14.347 ( 27.468 9.153 -6.877) 29.759 15.667 ( -16.810 -2.167 16.196) 23.443 17.410 ( -18.185 19.129 -10.529) 28.416 18.517 ( 32.405 -22.673 -8.279) 40.407 19.396 ( 32.811 13.612 -19.406) 40.478 20.439 ( 4.957 7.038 6.801) 10.971 22.051 ( -15.474 -1.574 -10.787) 18.928 28.344 ( -4.621 2.698 40.760) 41.110 29.121 ( -9.508 5.450 34.194) 35.907 30.616 ( 7.535 -19.081 0.118) 20.515 31.394 ( -3.331 11.478 -0.304) 11.956 31.485 ( 7.539 -2.518 -5.305) 9.556 31.706 ( -11.112 -0.605 16.162) 19.623 32.176 ( 4.081 15.268 -2.864) 16.062 33.888 ( -13.936 0.068 -1.578) 14.025 35.656 ( 36.076 7.441 -12.366) 38.856 36.698 ( -22.851 -3.008 -11.625) 25.814 38.058 ( -32.973 -7.462 9.757) 35.187 39.306 ( -23.783 -1.065 -8.976) 25.443 41.831 ( 23.462 -1.704 -0.915) 23.542 42.021 ( 22.839 -13.952 -0.152) 26.764 42.865 ( 9.849 10.575 -0.844) 14.476 43.568 ( -4.956 -4.235 -3.577) 7.436 ======================= Grid point 213 (71/180) ======================= q-point: ( 0.36 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( 28.621 -1.653 -4.553) 29.028 4.054 ( 29.794 -1.084 12.492) 32.325 4.791 ( -18.923 -5.817 -15.684) 25.257 5.387 ( -9.994 1.616 -5.697) 11.616 5.610 ( 7.397 -4.640 -15.884) 18.126 5.935 ( 10.012 -10.814 -6.447) 16.086 6.367 ( 10.882 9.232 4.906) 15.091 7.030 ( 13.436 13.748 4.986) 19.860 7.771 ( -4.863 -8.456 2.922) 10.183 8.590 ( -11.462 -4.443 17.456) 21.350 8.869 ( 2.121 8.028 17.190) 19.091 9.458 ( -8.092 -0.225 -0.228) 8.098 14.086 ( 8.503 8.098 -0.993) 11.784 14.979 ( 33.236 11.364 -8.640) 36.172 15.237 ( -23.547 2.794 13.770) 27.420 16.941 ( -26.807 16.992 -7.945) 32.718 19.177 ( 30.455 -23.925 -4.665) 39.008 19.938 ( 17.440 -3.608 -4.029) 18.260 20.562 ( 9.301 16.320 -8.485) 20.612 21.703 ( -18.529 2.636 -12.180) 22.330 28.331 ( 3.047 5.358 39.762) 40.237 28.905 ( -11.572 5.648 36.675) 38.870 30.760 ( 7.473 -15.382 6.159) 18.177 31.364 ( -1.535 3.804 10.110) 10.910 31.492 ( -7.854 -1.868 7.725) 11.174 31.584 ( 1.045 5.763 -2.401) 6.331 32.376 ( 15.564 4.938 -8.351) 18.340 33.577 ( -17.003 -3.371 -4.973) 18.034 36.366 ( -0.847 -2.731 -8.055) 8.547 36.490 ( 35.860 8.395 -17.571) 40.806 37.386 ( -31.999 -5.253 8.198) 33.447 38.757 ( -29.910 3.959 -11.993) 32.467 42.250 ( 17.285 -4.785 0.590) 17.945 42.406 ( 14.524 -15.453 2.910) 21.406 43.024 ( 6.247 10.307 -3.191) 12.467 43.447 ( -6.863 -2.480 -3.052) 7.910 ======================= Grid point 214 (72/180) ======================= q-point: ( 0.45 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.796 ( 27.252 -4.338 -11.676) 29.963 4.307 ( -21.010 -7.660 -12.350) 25.546 4.666 ( 22.449 1.019 3.058) 22.679 5.100 ( -18.158 1.324 -1.944) 18.309 5.754 ( 7.630 -7.941 -15.136) 18.718 5.913 ( -7.204 -12.877 -8.870) 17.216 6.747 ( 21.082 6.828 -4.832) 22.681 7.091 ( -9.847 5.949 -5.102) 12.585 7.858 ( 14.928 -0.043 18.813) 24.016 8.241 ( -19.883 0.670 21.488) 29.284 9.032 ( 10.899 4.669 11.105) 16.245 9.261 ( -10.931 1.695 5.409) 12.313 14.348 ( 16.962 5.923 4.759) 18.586 14.756 ( -22.599 4.321 9.892) 25.045 15.671 ( 34.035 13.630 -8.898) 37.727 16.343 ( -31.644 15.344 -8.293) 36.132 19.712 ( 21.545 -20.628 0.146) 29.828 20.021 ( -7.632 -16.179 4.135) 18.361 20.881 ( 20.243 17.866 -17.095) 31.956 21.304 ( -20.564 9.505 -14.492) 26.894 28.454 ( 8.664 5.800 38.266) 39.661 28.665 ( -11.601 5.733 37.510) 39.679 30.944 ( 10.744 -11.860 11.538) 19.729 31.186 ( -12.404 -10.407 16.330) 22.996 31.489 ( 3.826 9.646 -1.714) 10.518 31.563 ( -2.797 7.841 -0.323) 8.331 32.762 ( 21.102 -2.121 -9.508) 23.242 33.193 ( -20.573 -4.333 -7.987) 22.491 36.421 ( 10.992 -2.656 -1.496) 11.407 36.794 ( -24.542 -3.835 4.278) 25.206 37.326 ( 39.890 8.006 -17.884) 44.443 38.094 ( -35.315 6.452 -15.327) 39.035 42.519 ( 8.805 -8.098 2.561) 12.233 42.587 ( 2.710 -12.983 4.171) 13.903 43.147 ( 6.574 6.769 -4.458) 10.436 43.296 ( -7.708 0.992 -3.595) 8.563 ======================= Grid point 220 (73/180) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 0.000 25.658 28.112) 38.061 2.730 ( 0.000 29.606 30.046) 42.181 3.983 ( 0.000 33.703 35.294) 48.801 5.257 ( 0.000 -18.726 -17.003) 25.293 5.634 ( 0.000 -7.532 23.190) 24.383 5.844 ( 0.000 7.266 -17.408) 18.863 5.937 ( 0.000 20.154 4.393) 20.627 6.680 ( 0.000 9.200 -17.914) 20.139 7.902 ( 0.000 -14.969 -2.345) 15.151 8.599 ( 0.000 -5.076 20.534) 21.152 9.233 ( 0.000 -13.600 11.821) 18.019 9.595 ( 0.000 -3.294 -14.502) 14.872 13.942 ( 0.000 -8.994 13.241) 16.007 14.013 ( 0.000 2.107 10.683) 10.889 15.030 ( 0.000 32.776 -12.536) 35.092 17.221 ( 0.000 -7.076 -34.973) 35.681 18.244 ( 0.000 6.738 6.320) 9.238 19.405 ( 0.000 61.519 -37.919) 72.266 20.003 ( 0.000 -12.633 27.700) 30.445 22.409 ( 0.000 -10.072 -9.913) 14.132 28.521 ( 0.000 -9.413 39.040) 40.159 29.628 ( 0.000 9.462 25.942) 27.614 29.755 ( 0.000 -18.693 -7.603) 20.180 31.315 ( 0.000 -4.440 -9.023) 10.056 31.648 ( 0.000 6.121 -7.887) 9.984 32.327 ( 0.000 -1.823 18.354) 18.445 32.774 ( 0.000 43.974 -38.916) 58.721 34.464 ( 0.000 6.075 -8.365) 10.338 36.325 ( 0.000 -5.400 18.582) 19.351 37.476 ( 0.000 -34.212 24.760) 42.232 38.282 ( 0.000 0.865 -10.702) 10.737 39.219 ( 0.000 -20.648 -15.960) 26.097 41.018 ( 0.000 9.527 8.223) 12.584 41.704 ( 0.000 28.178 -7.409) 29.136 41.963 ( 0.000 -8.416 13.666) 16.050 43.526 ( 0.000 -8.482 -6.940) 10.959 ======================= Grid point 221 (74/180) ======================= q-point: ( 0.09 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -4.607 29.685 28.781) 41.602 2.735 ( 10.474 22.723 28.002) 37.552 4.260 ( 23.253 26.295 27.731) 44.734 5.216 ( -3.262 -16.631 -16.289) 23.507 5.611 ( -4.122 -5.602 12.162) 14.011 5.885 ( 6.648 9.107 2.386) 11.526 5.984 ( 2.515 14.528 -9.147) 17.351 6.724 ( 4.278 10.380 -13.722) 17.730 7.863 ( -3.583 -14.070 -2.662) 14.761 8.590 ( -0.614 -4.703 19.237) 19.813 9.197 ( -3.342 -12.035 12.408) 17.606 9.603 ( 0.485 -3.396 -12.737) 13.191 13.729 ( 1.222 3.368 4.127) 5.466 14.605 ( 20.717 -0.249 5.304) 21.386 14.963 ( 7.087 17.421 -3.684) 19.164 17.389 ( 12.305 -2.874 -27.454) 30.222 18.220 ( -1.103 3.715 4.734) 6.118 19.283 ( -7.587 47.138 -24.137) 53.499 20.163 ( 12.245 -0.489 11.795) 17.009 22.356 ( -5.057 -9.395 -10.032) 14.645 28.503 ( -1.678 -6.013 39.396) 39.888 29.563 ( -4.771 8.342 24.383) 26.208 29.847 ( 7.219 -17.794 -4.085) 19.633 31.277 ( -2.983 -5.387 -6.435) 8.907 31.650 ( 0.093 6.910 -8.203) 10.726 32.268 ( -5.823 -0.318 17.152) 18.116 32.778 ( -1.818 37.160 -31.902) 49.009 34.511 ( 3.530 11.760 -11.339) 16.714 35.537 ( -44.473 -1.718 26.426) 51.760 37.845 ( -31.162 -4.690 -13.174) 34.155 38.122 ( 30.762 -31.091 12.420) 45.467 39.360 ( 5.075 -17.484 -7.520) 19.697 41.058 ( 6.774 5.888 6.158) 10.885 41.501 ( -5.766 16.299 2.034) 17.408 42.353 ( 23.247 3.358 1.555) 23.540 43.523 ( -0.398 -8.562 -6.442) 10.722 ======================= Grid point 222 (75/180) ======================= q-point: ( 0.18 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 4.404 22.884 25.119) 34.264 3.076 ( 21.042 16.001 21.065) 33.801 4.779 ( 25.162 10.882 14.378) 30.956 5.141 ( -4.458 -12.795 -18.040) 22.561 5.484 ( -6.964 -3.833 5.792) 9.836 5.995 ( -1.820 10.046 -17.607) 20.353 6.096 ( 12.747 9.560 11.645) 19.736 6.852 ( 8.293 12.908 -5.724) 16.375 7.768 ( -5.620 -13.644 -3.347) 15.131 8.587 ( 0.348 -4.202 15.936) 16.485 9.111 ( -4.667 -6.977 14.755) 16.976 9.600 ( -1.013 -3.151 -8.940) 9.533 13.970 ( 20.307 8.476 -3.567) 22.292 14.517 ( -10.170 20.378 -12.619) 26.037 15.516 ( 24.647 -7.084 17.122) 30.835 17.596 ( 9.959 -4.230 -13.566) 17.353 18.192 ( -4.737 7.087 0.400) 8.533 19.271 ( 9.079 25.463 -13.267) 30.113 20.416 ( 11.933 7.676 -2.908) 14.484 22.211 ( -9.022 -7.213 -10.382) 15.531 28.463 ( -1.820 1.195 39.566) 39.626 29.450 ( -6.432 10.322 28.806) 31.268 30.019 ( 9.370 -19.759 -3.332) 22.120 31.224 ( -1.881 -9.898 0.266) 10.079 31.652 ( 0.123 7.605 -7.114) 10.415 32.095 ( -10.627 5.948 11.533) 16.772 32.644 ( -10.107 24.110 -13.964) 29.638 34.352 ( -20.959 12.441 2.309) 24.483 35.242 ( 17.818 6.064 -2.803) 19.030 37.166 ( -32.192 -6.358 -14.637) 35.931 38.336 ( -11.271 -17.849 9.565) 23.176 39.377 ( -1.694 -16.851 -1.999) 17.054 41.310 ( 15.460 -3.664 2.890) 16.148 41.580 ( 13.347 10.574 3.946) 17.480 42.766 ( 16.736 5.019 -2.820) 17.698 43.503 ( -1.683 -8.080 -5.335) 9.828 ======================= Grid point 223 (76/180) ======================= q-point: ( 0.27 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 16.716 10.485 14.361) 24.406 3.547 ( 24.487 8.411 15.510) 30.181 4.967 ( -11.079 -9.228 -15.615) 21.254 5.217 ( 11.865 -6.567 3.959) 14.127 5.406 ( 2.544 -4.092 -2.310) 5.344 5.907 ( -6.601 5.337 -18.164) 20.049 6.356 ( 11.990 12.486 5.634) 18.204 7.070 ( 13.423 15.908 3.188) 21.058 7.643 ( -6.363 -13.892 -3.511) 15.678 8.587 ( -1.216 -5.603 14.070) 15.193 9.030 ( -2.535 1.901 17.238) 17.527 9.555 ( -3.536 -2.046 -4.228) 5.879 14.273 ( 0.320 14.730 -7.759) 16.651 14.607 ( 27.804 15.350 -9.428) 33.130 15.676 ( -7.915 3.243 18.372) 20.266 17.793 ( -6.838 10.548 -14.244) 18.997 18.112 ( 14.372 -10.937 6.677) 19.255 19.577 ( 16.315 4.396 -1.363) 16.952 20.649 ( 11.576 12.440 -14.242) 22.172 22.002 ( -11.224 -3.127 -11.089) 16.085 28.445 ( 0.407 7.191 38.281) 38.953 29.293 ( -9.140 11.239 32.736) 35.798 30.217 ( 9.926 -19.298 -0.261) 21.703 31.197 ( -1.365 -15.791 10.696) 19.121 31.636 ( -2.557 4.293 -3.027) 5.843 31.903 ( -5.973 16.658 -1.653) 17.774 32.466 ( -5.497 11.751 -3.507) 13.439 33.921 ( -20.172 3.450 1.888) 20.552 35.861 ( 37.383 11.865 -17.569) 42.976 36.609 ( -21.033 -5.349 -13.341) 25.475 37.871 ( -29.433 -9.956 11.553) 33.149 39.232 ( -13.628 -6.373 -6.826) 16.521 41.652 ( 18.037 -11.762 5.107) 22.131 41.930 ( 17.847 2.636 3.977) 18.474 43.032 ( 9.734 5.028 -4.436) 11.820 43.454 ( -3.051 -6.201 -4.379) 8.181 ======================= Grid point 224 (77/180) ======================= q-point: ( 0.36 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 22.993 -0.072 3.856) 23.314 4.032 ( 21.348 -0.819 11.633) 24.326 4.678 ( -14.940 -5.342 -13.272) 20.686 5.249 ( -4.922 -12.870 5.355) 14.783 5.567 ( 6.911 -4.411 -13.445) 15.748 5.761 ( -6.176 -1.236 -16.337) 17.509 6.586 ( 11.515 10.195 -8.469) 17.557 7.308 ( 1.773 8.515 -6.276) 10.726 7.586 ( 7.685 -4.833 13.698) 16.433 8.500 ( -7.882 -4.444 17.459) 19.664 9.037 ( 3.472 7.965 15.541) 17.805 9.456 ( -6.077 0.118 1.100) 6.176 14.310 ( 5.725 12.790 -2.080) 14.167 15.287 ( 31.382 16.813 -8.800) 36.674 15.347 ( -16.614 8.285 13.576) 22.999 17.366 ( -27.530 21.962 -10.258) 36.680 18.670 ( 30.968 -23.908 6.060) 39.589 19.785 ( 2.276 -9.649 8.464) 13.036 20.912 ( 14.546 15.847 -20.966) 30.038 21.764 ( -12.061 2.868 -12.586) 17.666 28.493 ( 4.504 10.145 36.053) 37.723 29.080 ( -11.561 11.233 34.091) 37.710 30.425 ( 10.776 -16.952 5.680) 20.875 31.121 ( -7.200 -17.592 21.236) 28.500 31.586 ( -0.045 3.762 -9.027) 9.779 31.845 ( -2.227 16.726 -5.000) 17.599 32.471 ( 6.620 3.191 -3.938) 8.337 33.516 ( -20.087 -1.658 -2.161) 20.271 36.284 ( -3.795 -4.946 -7.122) 9.465 36.715 ( 37.866 12.371 -20.751) 44.917 37.260 ( -28.458 -6.249 9.486) 30.642 38.837 ( -24.518 3.006 -11.890) 27.415 42.006 ( 15.821 -15.054 6.595) 22.813 42.232 ( 10.950 -4.041 5.472) 12.891 43.176 ( 4.915 4.202 -5.325) 8.377 43.386 ( -3.539 -2.803 -4.138) 6.124 ======================= Grid point 225 (78/180) ======================= q-point: ( 0.45 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.680 ( 23.672 -6.659 -3.176) 24.795 4.117 ( -16.559 -10.591 -3.681) 19.998 4.663 ( 16.856 -1.161 3.142) 17.185 5.030 ( -16.081 -8.204 6.658) 19.241 5.644 ( 2.304 -2.604 -19.124) 19.438 5.689 ( -2.039 -6.640 -15.828) 17.285 6.848 ( 14.113 2.397 -15.014) 20.745 7.135 ( -13.235 -2.737 -15.377) 20.472 7.918 ( 18.841 6.379 23.690) 30.934 8.267 ( -14.757 1.868 21.834) 26.419 9.155 ( 7.394 6.611 11.339) 15.065 9.313 ( -7.768 3.236 6.485) 10.623 14.521 ( 14.786 10.293 4.814) 18.648 14.893 ( -21.172 8.640 10.987) 25.370 16.035 ( 36.193 20.202 -11.297) 42.962 16.744 ( -33.143 21.757 -10.725) 41.071 19.253 ( 25.236 -22.410 8.227) 34.738 19.659 ( -13.928 -17.971 9.917) 24.804 21.221 ( 15.090 14.348 -19.245) 28.354 21.509 ( -13.205 9.351 -15.380) 22.324 28.630 ( 8.817 11.015 34.401) 37.182 28.840 ( -11.552 11.133 34.001) 37.596 30.660 ( 12.293 -15.383 12.535) 23.343 30.914 ( -12.171 -15.721 18.938) 27.458 31.649 ( 5.307 5.544 -8.730) 11.624 31.765 ( -5.372 10.503 -5.304) 12.935 32.720 ( 16.681 -1.488 -5.443) 17.609 33.103 ( -20.178 -3.266 -4.722) 20.979 36.346 ( 10.634 -4.423 -0.385) 11.524 36.694 ( -22.594 -5.448 6.062) 24.019 37.539 ( 37.744 11.845 -19.927) 44.294 38.256 ( -32.263 8.481 -16.383) 37.165 42.265 ( 9.036 -14.264 7.254) 18.377 42.353 ( 0.713 -10.235 6.984) 12.411 43.253 ( 3.106 3.130 -5.557) 7.093 43.316 ( -3.243 0.985 -4.779) 5.859 ======================= Grid point 231 (79/180) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 0.000 24.570 20.051) 31.713 3.328 ( 0.000 26.559 22.652) 34.907 4.598 ( 0.000 20.259 13.853) 24.543 4.866 ( 0.000 -18.184 -7.473) 19.660 5.515 ( 0.000 -0.039 24.261) 24.261 5.994 ( 0.000 5.441 -17.268) 18.105 6.446 ( 0.000 28.652 6.012) 29.276 6.833 ( 0.000 6.414 -10.265) 12.104 7.594 ( 0.000 -15.025 -3.427) 15.411 8.361 ( 0.000 -20.139 11.930) 23.407 9.037 ( 0.000 -2.713 10.990) 11.320 9.480 ( 0.000 -7.724 -12.273) 14.501 13.882 ( 0.000 1.418 9.720) 9.823 14.041 ( 0.000 0.332 8.590) 8.597 15.728 ( 0.000 33.026 -18.772) 37.988 17.037 ( 0.000 -10.954 -33.951) 35.674 18.441 ( 0.000 13.082 13.784) 19.004 19.676 ( 0.000 -18.875 27.289) 33.180 20.471 ( 0.000 42.899 -31.182) 53.035 22.146 ( 0.000 -15.544 -11.655) 19.428 28.509 ( 0.000 6.314 33.188) 33.783 29.371 ( 0.000 -18.155 -0.065) 18.155 29.895 ( 0.000 15.937 23.823) 28.662 31.087 ( 0.000 -16.371 5.757) 17.354 31.822 ( 0.000 10.714 -5.109) 11.869 32.320 ( 0.000 -0.350 7.022) 7.031 33.554 ( 0.000 31.786 -33.321) 46.050 34.535 ( 0.000 -0.262 -15.765) 15.767 36.248 ( 0.000 -1.004 21.342) 21.365 36.913 ( 0.000 -21.692 21.168) 30.309 38.310 ( 0.000 2.027 -13.170) 13.325 38.823 ( 0.000 -16.953 -17.747) 24.544 41.194 ( 0.000 7.996 12.721) 15.026 41.768 ( 0.000 -10.194 14.362) 17.613 42.226 ( 0.000 22.855 -6.940) 23.886 43.311 ( 0.000 -12.318 -7.016) 14.176 ======================= Grid point 232 (80/180) ======================= q-point: ( 0.09 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 7.329 23.851 17.884) 30.699 3.253 ( -5.435 28.233 23.253) 36.978 4.673 ( 5.978 7.340 9.172) 13.181 4.874 ( 1.341 -13.312 -6.908) 15.058 5.495 ( -2.552 -1.472 16.854) 17.109 6.073 ( 6.888 6.275 -14.149) 16.941 6.404 ( -2.582 25.132 4.879) 25.731 6.923 ( 7.734 10.083 -5.093) 13.690 7.569 ( -2.536 -14.171 -5.310) 15.344 8.359 ( 0.082 -19.189 11.964) 22.613 9.038 ( 0.236 -1.431 11.466) 11.557 9.489 ( 0.736 -7.485 -10.590) 12.989 13.823 ( 6.381 5.105 1.430) 8.297 14.544 ( 33.797 -2.246 13.545) 36.479 15.463 ( -18.735 23.589 -19.916) 36.112 17.328 ( 19.853 -2.513 -24.270) 31.456 18.335 ( -7.534 7.581 12.001) 16.070 19.646 ( -2.946 -6.628 21.414) 22.609 20.536 ( 5.958 32.490 -28.289) 43.490 22.114 ( -2.986 -14.051 -11.606) 18.468 28.525 ( 1.464 6.628 33.082) 33.771 29.429 ( 5.606 -17.131 1.396) 18.079 29.863 ( -3.094 15.241 24.021) 28.616 31.043 ( -4.068 -16.245 7.648) 18.411 31.817 ( -0.644 9.629 -4.504) 10.650 32.289 ( -2.912 0.732 5.246) 6.045 33.399 ( -14.009 22.705 -26.891) 37.880 34.748 ( 18.118 10.081 -22.686) 30.734 35.519 ( -42.259 0.464 23.567) 48.389 37.550 ( 32.813 -21.381 15.062) 41.961 37.758 ( -35.490 -5.909 -15.606) 39.217 39.067 ( 7.316 -10.616 -6.332) 14.363 41.139 ( -0.771 2.427 9.483) 9.819 41.749 ( 0.503 7.113 9.545) 11.914 42.473 ( 18.386 9.049 -4.477) 20.976 43.316 ( 0.471 -11.365 -6.572) 13.137 ======================= Grid point 233 (81/180) ======================= q-point: ( 0.18 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( -4.377 29.448 21.216) 36.558 3.425 ( 14.455 17.134 14.284) 26.581 4.761 ( 1.367 -13.768 -4.180) 14.453 4.941 ( 4.486 -6.798 -0.277) 8.149 5.412 ( -4.570 -0.217 6.217) 7.719 6.135 ( -3.787 2.987 -16.738) 17.419 6.458 ( 9.302 22.289 6.240) 24.945 7.116 ( 11.185 13.020 3.855) 17.592 7.494 ( -4.715 -11.940 -9.834) 16.171 8.373 ( 1.318 -16.343 12.710) 20.746 9.054 ( 1.568 1.598 12.552) 12.751 9.502 ( 0.367 -6.182 -6.447) 8.939 14.155 ( 24.305 8.527 -5.652) 26.371 14.915 ( -7.524 17.060 -12.891) 22.668 15.444 ( 24.787 -1.638 11.438) 27.347 17.532 ( -0.176 -0.868 0.383) 0.965 18.299 ( 3.532 3.443 -2.420) 5.494 19.587 ( -1.332 5.447 14.065) 15.142 20.693 ( 9.126 18.043 -25.958) 32.903 22.032 ( -4.890 -9.886 -11.529) 15.956 28.567 ( 2.648 8.023 32.663) 33.738 29.584 ( 8.735 -11.914 8.060) 16.829 29.773 ( -5.333 10.579 21.441) 24.496 30.939 ( -5.648 -17.145 12.397) 21.899 31.788 ( -2.422 6.748 -2.899) 7.734 32.222 ( -2.818 4.409 -0.224) 5.238 33.040 ( -19.892 14.267 -17.357) 30.008 34.611 ( -31.709 10.954 7.026) 34.276 35.404 ( 30.621 9.506 -17.362) 36.461 37.020 ( -32.592 -7.135 -16.758) 37.336 37.964 ( 1.265 -17.203 12.164) 21.107 39.076 ( -1.077 -11.317 4.541) 12.241 41.239 ( 9.057 -2.847 4.020) 10.310 41.832 ( 7.761 12.245 8.123) 16.618 42.825 ( 14.889 1.132 -5.472) 15.903 43.329 ( 0.781 -8.262 -5.527) 9.971 ======================= Grid point 234 (82/180) ======================= q-point: ( 0.27 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 3.307 20.085 17.505) 26.847 3.746 ( 16.048 9.946 9.842) 21.291 4.710 ( -6.780 -15.656 -8.472) 19.049 4.991 ( 0.213 -13.513 2.893) 13.820 5.383 ( 2.626 1.689 -3.421) 4.632 5.984 ( -9.394 2.067 -13.630) 16.682 6.651 ( 7.389 13.846 -10.035) 18.628 7.362 ( -0.206 -8.169 2.032) 8.421 7.408 ( 9.578 12.320 -0.486) 15.612 8.403 ( 1.256 -11.327 15.280) 19.062 9.104 ( 3.302 4.570 13.282) 14.430 9.497 ( -0.980 -3.475 -1.303) 3.839 14.558 ( 3.330 11.808 -9.168) 15.316 14.946 ( 25.472 16.360 -14.136) 33.411 15.772 ( 0.197 4.727 18.833) 19.418 17.624 ( 14.722 -13.550 8.687) 21.813 18.253 ( -10.171 11.380 -5.611) 16.261 19.616 ( 2.480 0.288 13.661) 13.887 20.907 ( 12.167 11.575 -26.645) 31.496 21.925 ( -5.416 -4.077 -11.774) 13.586 28.633 ( 4.001 10.522 31.644) 33.586 29.581 ( -9.130 16.430 30.844) 36.120 29.833 ( 11.133 -17.378 3.574) 20.946 30.830 ( -5.035 -19.478 18.396) 27.261 31.713 ( -4.598 3.848 -4.621) 7.570 32.207 ( 1.415 10.384 -6.672) 12.423 32.654 ( -16.544 7.331 -9.753) 20.556 34.021 ( -26.102 5.449 5.212) 27.169 36.109 ( 32.225 10.750 -21.294) 40.093 36.504 ( -13.180 -3.646 -16.758) 21.630 37.667 ( -24.789 -9.432 13.217) 29.634 39.064 ( -3.377 -8.769 -0.785) 9.429 41.462 ( 12.752 -6.510 5.998) 15.523 42.025 ( 9.564 5.793 8.564) 14.084 43.061 ( 8.459 -2.208 -7.061) 11.238 43.348 ( 0.994 -3.343 -4.471) 5.670 ======================= Grid point 235 (83/180) ======================= q-point: ( 0.36 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( 11.279 6.358 12.682) 18.124 4.003 ( 5.516 -3.630 7.990) 10.366 4.546 ( -4.825 -7.033 -5.507) 10.152 4.969 ( -2.712 -11.952 -0.089) 12.256 5.477 ( 5.304 -2.418 -8.522) 10.325 5.793 ( -8.583 1.660 -13.850) 16.379 6.757 ( 4.143 6.285 -21.749) 23.014 7.210 ( -9.165 -10.330 -18.188) 22.837 7.753 ( 17.783 13.568 22.012) 31.382 8.404 ( -1.783 -4.865 18.772) 19.474 9.185 ( 4.498 6.027 12.875) 14.910 9.458 ( -2.834 -0.053 3.751) 4.702 14.573 ( 3.450 11.648 -3.657) 12.686 15.516 ( -19.411 8.837 16.383) 26.893 15.662 ( 37.868 16.636 -14.200) 43.730 17.750 ( -20.069 11.881 -11.222) 25.882 18.250 ( 24.888 -13.828 15.209) 32.279 19.584 ( -7.181 -8.962 15.955) 19.658 21.183 ( 14.354 10.065 -24.622) 30.226 21.811 ( -5.992 1.624 -12.979) 14.388 28.736 ( 6.316 12.893 30.099) 33.347 29.359 ( -12.066 15.122 29.323) 35.130 30.077 ( 12.343 -15.913 10.299) 22.620 30.721 ( -6.340 -20.617 23.231) 31.701 31.647 ( -0.471 2.465 -11.871) 12.134 32.177 ( -8.789 14.010 -13.547) 21.379 32.486 ( 4.045 -1.361 -1.616) 4.564 33.528 ( -22.833 2.498 1.819) 23.041 36.176 ( -3.475 -5.006 -6.141) 8.652 36.944 ( 19.764 7.552 -13.176) 24.925 37.167 ( -8.518 -1.136 -0.366) 8.601 38.864 ( -16.418 -0.374 -9.839) 19.144 41.742 ( 14.011 -9.903 9.306) 19.518 42.166 ( 3.502 -2.452 10.030) 10.903 43.191 ( 4.988 -2.058 -7.594) 9.315 43.361 ( 0.007 0.311 -4.262) 4.274 ======================= Grid point 236 (84/180) ======================= q-point: ( 0.45 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( 16.080 -5.971 8.679) 19.224 3.870 ( -14.823 -13.101 6.708) 20.889 4.642 ( 10.877 -0.276 -2.029) 11.068 4.856 ( -8.660 -6.522 -0.676) 10.862 5.573 ( 4.059 -2.901 -12.095) 13.084 5.657 ( -4.893 -0.072 -14.497) 15.300 6.857 ( 6.270 -0.800 -24.673) 25.470 7.017 ( -9.181 -6.939 -22.623) 25.382 8.084 ( 14.134 8.309 23.286) 28.479 8.309 ( -7.847 1.875 21.686) 23.139 9.283 ( 5.087 5.420 11.102) 13.361 9.383 ( -4.478 3.154 8.011) 9.704 14.741 ( 13.015 10.116 4.297) 17.035 15.087 ( -20.282 9.213 11.460) 25.051 16.444 ( 37.734 18.057 -14.765) 44.361 17.171 ( -33.233 18.122 -13.746) 40.271 18.830 ( 27.651 -17.630 16.810) 36.850 19.313 ( -19.131 -14.789 16.744) 29.412 21.459 ( 12.219 8.618 -19.856) 24.857 21.668 ( -8.418 5.890 -15.650) 18.721 28.895 ( 9.346 14.159 28.808) 33.432 29.112 ( -11.756 14.587 28.536) 34.136 30.326 ( 11.988 -16.252 16.846) 26.299 30.554 ( -10.061 -18.540 22.305) 30.700 31.723 ( 7.742 1.796 -15.581) 17.491 31.936 ( -12.347 5.131 -14.700) 19.871 32.716 ( 15.875 1.373 -0.685) 15.949 33.089 ( -20.260 1.705 0.170) 20.332 36.250 ( 10.618 -4.428 1.233) 11.570 36.583 ( -21.283 -4.917 8.229) 23.342 37.779 ( 34.714 10.486 -22.826) 42.849 38.414 ( -27.230 6.292 -17.252) 32.844 41.999 ( 10.690 -10.694 10.832) 18.600 42.156 ( -4.351 -8.319 10.986) 14.451 43.279 ( 3.756 -0.011 -6.624) 7.615 43.340 ( -2.092 1.075 -5.171) 5.681 ======================= Grid point 242 (85/180) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.552 ( 0.000 18.406 12.993) 22.530 3.716 ( 0.000 6.768 14.876) 16.343 4.590 ( 0.000 -4.890 4.081) 6.369 4.681 ( 0.000 -7.572 10.093) 12.618 5.729 ( 0.000 16.345 8.897) 18.609 5.992 ( 0.000 -6.853 -8.710) 11.083 6.998 ( 0.000 10.474 -5.642) 11.897 7.082 ( 0.000 28.711 4.896) 29.126 7.299 ( 0.000 -9.747 -0.580) 9.764 7.804 ( 0.000 -31.691 10.631) 33.427 9.104 ( 0.000 7.478 1.661) 7.661 9.292 ( 0.000 -9.850 -7.005) 12.087 13.948 ( 0.000 4.008 7.516) 8.518 14.019 ( 0.000 -2.464 7.255) 7.662 16.334 ( 0.000 24.969 -26.330) 36.286 16.758 ( 0.000 -16.502 -31.536) 35.593 18.790 ( 0.000 20.275 21.196) 29.332 19.242 ( 0.000 -22.474 25.668) 34.117 21.221 ( 0.000 30.601 -22.043) 37.714 21.760 ( 0.000 -22.074 -15.442) 26.939 28.717 ( 0.000 12.820 21.266) 24.831 29.017 ( 0.000 -15.990 9.575) 18.638 30.270 ( 0.000 19.930 20.790) 28.800 30.695 ( 0.000 -20.624 15.366) 25.719 32.064 ( 0.000 11.649 -2.166) 11.849 32.258 ( 0.000 -6.355 1.094) 6.449 34.096 ( 0.000 20.973 -26.439) 33.748 34.424 ( 0.000 -10.710 -21.399) 23.930 36.313 ( 0.000 7.455 21.265) 22.534 36.544 ( 0.000 -14.536 19.947) 24.681 38.379 ( 0.000 5.068 -15.968) 16.753 38.537 ( 0.000 -10.622 -17.819) 20.744 41.364 ( 0.000 8.673 14.673) 17.044 41.557 ( 0.000 -9.972 14.911) 17.938 42.658 ( 0.000 19.195 -6.908) 20.400 43.020 ( 0.000 -15.837 -7.003) 17.316 ======================= Grid point 243 (86/180) ======================= q-point: ( 0.09 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 4.280 15.166 12.053) 19.839 3.727 ( 0.388 12.957 14.180) 19.212 4.525 ( -4.539 -7.304 4.979) 9.937 4.711 ( 1.492 -8.790 7.757) 11.818 5.609 ( -7.921 7.904 3.229) 11.646 6.103 ( 6.174 -2.034 -6.856) 9.447 6.892 ( -4.248 17.213 -3.368) 18.046 7.238 ( 9.372 21.713 5.664) 24.318 7.295 ( -0.403 -10.327 -4.717) 11.361 7.845 ( 4.240 -28.244 11.442) 30.767 9.108 ( 0.505 6.361 2.483) 6.848 9.314 ( 2.037 -8.500 -5.235) 10.188 13.910 ( 8.762 2.576 -0.636) 9.155 14.517 ( 34.297 -0.637 14.032) 37.062 15.815 ( -29.478 9.131 -28.581) 42.062 17.294 ( 28.967 -0.752 -21.871) 36.304 18.505 ( -18.534 6.766 20.635) 28.550 19.437 ( 11.626 -8.572 22.544) 26.775 21.145 ( -6.205 22.994 -24.291) 34.019 21.790 ( 2.369 -15.658 -14.415) 21.414 28.712 ( 0.184 9.548 21.288) 23.332 29.106 ( 7.947 -12.592 10.376) 18.149 30.232 ( -3.631 19.730 21.610) 29.487 30.655 ( -3.881 -20.382 16.817) 26.708 32.029 ( -3.429 9.494 -1.660) 10.230 32.249 ( -0.660 -4.526 -0.110) 4.575 33.712 ( -23.418 7.587 -21.548) 32.715 34.888 ( 31.095 3.196 -27.806) 41.837 35.554 ( -41.352 1.959 18.397) 45.302 37.228 ( 33.329 -8.622 19.665) 39.647 37.666 ( -40.253 -2.623 -19.156) 44.656 38.924 ( 9.143 -3.352 -5.739) 11.304 41.170 ( -5.928 0.721 10.263) 11.874 41.819 ( 13.668 0.899 13.921) 19.530 42.705 ( 4.538 11.463 -8.390) 14.912 43.070 ( 4.749 -11.252 -5.827) 13.532 ======================= Grid point 244 (87/180) ======================= q-point: ( 0.18 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( -2.246 17.945 15.535) 23.841 3.748 ( 5.914 13.985 8.271) 17.291 4.440 ( -3.768 -14.268 2.590) 14.983 4.725 ( 0.229 -10.040 5.528) 11.463 5.477 ( -4.398 3.673 -1.932) 6.047 6.135 ( -3.561 -1.530 -8.254) 9.119 6.866 ( 0.846 13.727 -10.461) 17.279 7.265 ( -2.500 -5.835 -8.157) 10.336 7.446 ( 11.223 14.627 10.064) 21.005 7.978 ( 8.458 -19.247 13.886) 25.195 9.131 ( 1.973 4.304 4.755) 6.710 9.368 ( 3.069 -5.561 -1.096) 6.446 14.287 ( 26.113 3.577 -7.264) 27.340 15.203 ( 10.811 10.728 -1.751) 15.330 15.384 ( 7.406 -4.924 -5.685) 10.555 17.549 ( -6.763 1.340 8.889) 11.249 18.345 ( 5.496 1.087 -1.484) 5.795 19.604 ( 4.342 -1.050 20.112) 20.602 21.037 ( -2.645 11.757 -28.368) 30.822 21.834 ( 1.605 -7.449 -13.019) 15.085 28.744 ( 3.122 7.149 22.425) 23.744 29.307 ( 11.178 -9.825 10.741) 18.353 30.125 ( -6.896 19.648 24.304) 32.004 30.545 ( -6.532 -20.389 19.803) 29.164 31.927 ( -6.372 5.286 -2.044) 8.528 32.247 ( 0.964 -1.087 -1.926) 2.412 33.240 ( -22.896 5.039 -19.565) 30.535 34.761 ( -35.699 3.446 10.902) 37.485 35.586 ( 36.552 6.029 -28.967) 47.026 36.905 ( -32.589 -3.235 -17.773) 37.261 37.686 ( 7.698 -7.987 16.165) 19.605 38.923 ( -3.339 -3.603 7.818) 9.233 41.198 ( 6.707 -1.032 3.641) 7.701 42.031 ( 7.454 5.747 12.743) 15.842 42.830 ( 7.290 -0.232 -10.465) 12.756 43.194 ( 6.706 -3.903 -4.126) 8.788 ======================= Grid point 245 (88/180) ======================= q-point: ( 0.27 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( -5.960 22.643 16.069) 28.398 3.873 ( 2.950 -2.126 8.776) 9.500 4.380 ( -0.576 -12.067 -1.145) 12.135 4.744 ( 1.939 -8.132 0.031) 8.360 5.436 ( 0.107 2.211 -5.285) 5.729 5.995 ( -8.994 -0.416 -7.631) 11.802 6.875 ( -0.584 6.907 -22.404) 23.452 7.179 ( -5.972 -5.819 -16.250) 18.265 7.707 ( 14.172 11.875 18.868) 26.417 8.161 ( 8.766 -10.362 16.773) 21.576 9.190 ( 3.685 2.937 7.606) 8.948 9.426 ( 2.345 -2.610 3.404) 4.889 14.729 ( 6.413 4.342 -9.650) 12.374 15.222 ( 22.117 8.434 -20.547) 31.344 15.828 ( 8.670 0.694 18.777) 20.693 17.424 ( 4.967 -5.070 20.877) 22.051 18.412 ( -4.326 3.817 -8.945) 10.644 19.613 ( -3.628 -0.285 19.636) 19.970 21.089 ( 7.991 5.146 -29.311) 30.813 21.851 ( 0.076 -2.389 -12.558) 12.784 28.838 ( 5.958 7.389 23.820) 25.642 29.535 ( 10.281 -9.601 8.399) 16.383 29.958 ( -8.755 19.192 30.289) 36.911 30.411 ( -6.143 -20.239 22.224) 30.680 31.787 ( -6.768 2.554 -6.011) 9.405 32.307 ( 5.355 0.911 -2.020) 5.796 32.784 ( -21.901 4.167 -19.334) 29.510 34.109 ( -28.616 2.389 6.862) 29.524 36.234 ( 5.467 1.371 -16.305) 17.252 36.507 ( 15.075 2.784 -27.618) 31.588 37.507 ( -21.147 -4.970 15.473) 26.671 38.922 ( 0.933 -3.981 5.021) 6.475 41.376 ( 10.265 -1.998 4.736) 11.480 42.132 ( 2.543 3.461 13.109) 13.795 42.988 ( 7.992 -2.997 -10.835) 13.793 43.314 ( 4.622 -0.475 -3.632) 5.898 ======================= Grid point 246 (89/180) ======================= q-point: ( 0.36 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( -2.414 14.347 15.918) 21.565 3.801 ( -8.532 -15.338 12.884) 21.773 4.474 ( 8.651 0.283 -6.382) 10.753 4.787 ( 1.438 -5.497 -5.699) 8.047 5.466 ( 2.496 0.479 -6.161) 6.665 5.806 ( -9.005 -0.122 -7.155) 11.502 6.849 ( -1.386 2.676 -28.918) 29.075 7.036 ( -7.451 -5.253 -23.127) 24.859 7.993 ( 13.192 8.107 22.145) 27.022 8.304 ( 4.598 -4.257 19.218) 20.214 9.275 ( 4.453 2.403 9.745) 10.980 9.454 ( 0.175 -0.276 7.079) 7.087 14.750 ( 2.484 4.728 -4.833) 7.203 15.657 ( -19.253 3.933 16.712) 25.796 15.927 ( 39.362 7.540 -19.142) 44.414 17.752 ( 13.651 -5.316 11.363) 18.539 18.205 ( -6.598 3.674 -0.884) 7.604 19.445 ( -13.012 -3.803 20.861) 24.879 21.322 ( 13.313 3.411 -25.033) 28.557 21.832 ( -2.242 0.422 -13.367) 13.560 28.982 ( 8.144 8.799 24.270) 27.070 29.599 ( -7.060 2.165 10.160) 12.560 29.893 ( 5.633 4.773 32.222) 33.057 30.300 ( -5.024 -18.639 24.084) 30.866 31.688 ( -1.971 1.229 -12.987) 13.193 32.355 ( -20.105 2.184 -20.026) 28.461 32.475 ( 11.206 1.620 -0.696) 11.344 33.582 ( -23.629 1.817 4.407) 24.105 36.098 ( -2.948 -2.147 -5.155) 6.314 36.984 ( -23.002 -0.746 12.987) 26.425 37.229 ( 34.698 3.624 -29.013) 45.375 38.841 ( -10.162 -1.057 -6.576) 12.150 41.606 ( 12.067 -3.226 9.387) 15.625 42.132 ( -2.524 -0.780 13.840) 14.090 43.145 ( 7.227 -1.506 -9.344) 11.908 43.371 ( 0.917 0.350 -4.092) 4.208 ======================= Grid point 247 (90/180) ======================= q-point: ( 0.45 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( 3.596 1.432 15.428) 15.906 3.612 ( -8.664 -10.511 14.549) 19.930 4.657 ( 8.120 1.262 -8.408) 11.757 4.774 ( -3.092 -1.943 -8.410) 9.168 5.534 ( 4.288 -0.891 -6.338) 7.705 5.645 ( -6.688 -0.768 -6.845) 9.600 6.841 ( 1.026 -0.425 -30.450) 30.470 6.903 ( -5.119 -3.305 -28.192) 28.843 8.220 ( 8.648 4.082 22.301) 24.265 8.331 ( -2.089 0.145 21.112) 21.215 9.363 ( 4.076 2.064 10.412) 11.370 9.431 ( -2.365 1.274 9.480) 9.853 14.898 ( 12.179 4.285 3.597) 13.403 15.233 ( -20.014 4.048 11.252) 23.314 16.724 ( 37.998 7.699 -18.593) 42.998 17.438 ( -31.015 6.787 -15.750) 35.441 18.568 ( 27.683 -6.805 22.781) 36.492 19.086 ( -22.116 -6.219 22.415) 32.098 21.576 ( 10.866 2.805 -19.624) 22.606 21.749 ( -6.113 1.947 -15.646) 16.910 29.167 ( 10.067 9.873 23.129) 27.088 29.388 ( -11.407 9.426 19.900) 24.799 30.053 ( 7.933 -7.196 26.049) 28.165 30.193 ( -5.832 -14.229 25.362) 29.660 31.740 ( 7.453 0.241 -18.913) 20.330 31.983 ( -15.835 0.418 -20.711) 26.074 32.759 ( 16.521 1.766 1.203) 16.658 33.136 ( -20.338 1.792 2.851) 20.614 36.181 ( 10.682 -1.926 2.534) 11.147 36.507 ( -20.758 -2.062 9.792) 23.044 37.938 ( 32.166 4.293 -25.372) 41.193 38.503 ( -22.750 2.144 -17.340) 28.685 41.845 ( 10.888 -3.899 12.683) 17.164 42.032 ( -7.227 -3.250 13.905) 16.004 43.273 ( 5.263 -0.252 -7.152) 8.884 43.354 ( -2.520 0.296 -5.281) 5.859 ======================= Grid point 297 (91/180) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 0.000 0.000 37.348) 37.348 2.801 ( 0.000 0.000 39.032) 39.032 4.113 ( 0.000 0.000 25.543) 25.543 4.992 ( 0.000 0.000 -26.542) 26.542 5.692 ( 0.000 0.000 -13.942) 13.942 5.799 ( 0.000 0.000 32.111) 32.111 5.807 ( 0.000 0.000 -20.464) 20.464 6.331 ( 0.000 0.000 25.625) 25.625 8.141 ( 0.000 0.000 -13.987) 13.987 9.207 ( 0.000 0.000 22.219) 22.219 9.224 ( 0.000 0.000 -24.210) 24.210 9.757 ( 0.000 0.000 7.100) 7.100 14.064 ( 0.000 0.000 -5.411) 5.411 14.283 ( 0.000 0.000 19.462) 19.462 14.701 ( 0.000 0.000 -17.807) 17.807 16.642 ( 0.000 0.000 -35.067) 35.067 16.975 ( 0.000 0.000 22.044) 22.044 18.187 ( 0.000 0.000 -2.810) 2.810 20.798 ( 0.000 0.000 24.893) 24.893 22.384 ( 0.000 0.000 -13.377) 13.377 29.547 ( 0.000 0.000 17.658) 17.658 30.053 ( 0.000 0.000 -7.269) 7.269 30.288 ( 0.000 0.000 6.717) 6.717 30.354 ( 0.000 0.000 -7.303) 7.303 30.781 ( 0.000 0.000 -19.758) 19.758 31.475 ( 0.000 0.000 -10.328) 10.328 32.979 ( 0.000 0.000 23.654) 23.654 34.224 ( 0.000 0.000 -4.634) 4.634 36.816 ( 0.000 0.000 17.873) 17.873 38.063 ( 0.000 0.000 -10.953) 10.953 39.433 ( 0.000 0.000 1.536) 1.536 39.509 ( 0.000 0.000 -0.290) 0.290 40.492 ( 0.000 0.000 -1.191) 1.191 40.573 ( 0.000 0.000 -2.483) 2.483 42.443 ( 0.000 0.000 15.037) 15.037 43.535 ( 0.000 0.000 -9.630) 9.630 ======================= Grid point 298 (92/180) ======================= q-point: ( 0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -3.096 0.000 38.434) 38.558 2.817 ( 15.325 0.000 34.346) 37.609 4.336 ( 20.035 0.000 19.362) 27.862 4.984 ( -0.873 0.000 -26.623) 26.637 5.587 ( -11.449 0.000 -5.357) 12.640 5.615 ( -6.149 0.000 -11.852) 13.352 6.051 ( 14.552 0.000 17.788) 22.982 6.423 ( 7.413 0.000 22.162) 23.369 8.092 ( -4.041 0.000 -11.810) 12.482 9.062 ( -7.240 0.000 1.735) 7.445 9.357 ( 6.200 0.000 -3.101) 6.933 9.718 ( -4.012 0.000 7.706) 8.688 13.839 ( -14.897 0.000 6.150) 16.117 13.959 ( -8.455 0.000 -6.477) 10.651 15.637 ( 59.066 0.000 -13.077) 60.497 16.660 ( -4.338 0.000 -3.798) 5.766 17.171 ( 23.153 0.000 -5.391) 23.772 18.152 ( -2.733 0.000 -3.142) 4.165 20.785 ( -1.243 0.000 23.630) 23.663 22.317 ( -6.469 0.000 -13.358) 14.842 29.361 ( -14.093 0.000 14.614) 20.302 29.923 ( -4.171 0.000 17.549) 18.038 30.422 ( 6.425 0.000 -7.518) 9.889 30.689 ( 25.634 0.000 -8.920) 27.141 30.860 ( 7.559 0.000 -18.636) 20.110 31.484 ( 1.011 0.000 -10.015) 10.066 32.907 ( -7.174 0.000 24.371) 25.405 34.172 ( -5.060 0.000 -4.925) 7.061 36.171 ( -46.518 0.000 26.195) 53.386 37.698 ( -30.040 0.000 -12.431) 32.510 39.382 ( -10.276 0.000 5.350) 11.585 39.832 ( 9.750 0.000 -7.615) 12.371 40.694 ( 20.362 0.000 -2.648) 20.534 40.698 ( 20.939 0.000 -3.324) 21.202 42.528 ( 7.525 0.000 13.748) 15.672 43.552 ( 1.278 0.000 -9.283) 9.370 ======================= Grid point 299 (93/180) ======================= q-point: ( 0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 3.217 0.000 31.646) 31.809 3.236 ( 24.651 0.000 27.437) 36.884 4.841 ( 27.765 0.000 8.035) 28.905 4.955 ( -1.982 0.000 -27.075) 27.148 5.319 ( -14.848 0.000 -12.606) 19.477 5.493 ( -5.035 0.000 -11.195) 12.275 6.404 ( 19.927 0.000 26.327) 33.018 6.564 ( 5.179 0.000 18.104) 18.830 8.006 ( -4.190 0.000 -9.188) 10.098 8.938 ( -4.414 0.000 2.904) 5.284 9.460 ( 3.733 0.000 -2.360) 4.416 9.589 ( -8.769 0.000 9.896) 13.221 13.788 ( 8.471 0.000 -0.853) 8.514 13.809 ( -4.651 0.000 -6.017) 7.605 16.438 ( -16.276 0.000 12.858) 20.742 16.706 ( 37.861 0.000 -16.803) 41.423 17.829 ( 37.931 0.000 -15.184) 40.857 18.173 ( 10.116 0.000 -6.057) 11.791 20.749 ( -2.344 0.000 20.045) 20.182 22.125 ( -12.345 0.000 -13.256) 18.114 29.107 ( -9.579 0.000 20.806) 22.905 29.871 ( -1.834 0.000 28.123) 28.183 30.600 ( 10.591 0.000 -8.424) 13.533 31.073 ( 12.682 0.000 -15.150) 19.757 31.131 ( 15.185 0.000 -6.342) 16.457 31.531 ( 4.225 0.000 -9.330) 10.242 32.687 ( -14.031 0.000 26.909) 30.347 34.023 ( -9.581 0.000 -5.862) 11.232 35.441 ( -18.915 0.000 20.527) 27.913 37.038 ( -31.978 0.000 -13.979) 34.900 38.976 ( -27.639 0.000 8.459) 28.904 39.642 ( -21.377 0.000 -8.383) 22.962 41.231 ( 29.347 0.000 -2.239) 29.432 41.378 ( 37.029 0.000 -8.088) 37.902 42.703 ( 8.670 0.000 11.020) 14.021 43.563 ( -0.686 0.000 -7.982) 8.011 ======================= Grid point 300 (94/180) ======================= q-point: ( 0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 11.934 0.000 18.451) 21.974 3.768 ( 26.412 0.000 18.697) 32.360 4.906 ( -2.742 0.000 -27.907) 28.041 4.958 ( -18.595 0.000 -15.194) 24.013 5.432 ( -0.545 0.000 -10.902) 10.916 5.446 ( 29.134 0.000 -1.397) 29.167 6.592 ( -3.107 0.000 14.794) 15.117 6.830 ( 20.496 0.000 27.222) 34.076 7.924 ( -3.525 0.000 -6.103) 7.048 8.903 ( 1.242 0.000 4.617) 4.781 9.364 ( -13.187 0.000 13.295) 18.725 9.500 ( -0.001 0.000 -1.118) 1.118 13.809 ( 5.086 0.000 -2.451) 5.646 14.121 ( 22.980 0.000 -6.440) 23.865 16.027 ( -23.678 0.000 15.473) 28.285 16.956 ( -9.034 0.000 -11.202) 14.391 18.618 ( 38.133 0.000 -11.872) 39.938 18.724 ( 39.540 0.000 -13.433) 41.759 20.684 ( -4.369 0.000 14.801) 15.433 21.821 ( -17.498 0.000 -13.017) 21.809 28.989 ( -2.051 0.000 27.760) 27.835 29.821 ( -3.897 0.000 35.779) 35.991 30.830 ( 11.554 0.000 -9.867) 15.194 31.275 ( 0.824 0.000 5.768) 5.826 31.316 ( 9.272 0.000 -8.769) 12.762 31.700 ( 13.675 0.000 -10.292) 17.115 32.376 ( -15.745 0.000 27.071) 31.317 33.785 ( -13.781 0.000 -7.530) 15.704 35.463 ( 18.837 0.000 0.169) 18.837 36.483 ( -20.945 0.000 -13.049) 24.677 38.328 ( -34.888 0.000 9.055) 36.043 39.108 ( -29.959 0.000 -10.308) 31.683 41.809 ( 26.586 0.000 -0.781) 26.598 42.058 ( 29.297 0.000 -7.708) 30.294 42.850 ( 5.238 0.000 8.143) 9.682 43.515 ( -4.084 0.000 -6.194) 7.419 ======================= Grid point 301 (95/180) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 18.497 0.000 4.644) 19.071 4.258 ( 20.593 0.000 6.235) 21.516 4.543 ( -21.695 0.000 -15.365) 26.585 4.842 ( -3.706 0.000 -27.138) 27.390 5.497 ( 7.685 0.000 -6.700) 10.195 6.032 ( 27.883 0.000 -5.915) 28.504 6.432 ( -12.378 0.000 11.713) 17.041 7.123 ( 4.361 0.000 12.223) 12.978 7.936 ( 7.858 0.000 7.924) 11.159 8.988 ( 6.733 0.000 5.556) 8.729 9.056 ( -17.091 0.000 17.109) 24.183 9.456 ( -4.342 0.000 0.844) 4.423 14.018 ( 15.261 0.000 2.691) 15.496 14.675 ( 30.574 0.000 -9.611) 32.049 15.500 ( -27.567 0.000 14.757) 31.269 16.577 ( -25.250 0.000 -9.858) 27.106 19.339 ( 32.196 0.000 -7.092) 32.968 19.552 ( 39.421 0.000 -14.313) 41.939 20.556 ( -8.717 0.000 8.885) 12.447 21.416 ( -22.345 0.000 -12.747) 25.725 29.022 ( 5.143 0.000 32.986) 33.384 29.683 ( -9.902 0.000 40.800) 41.984 31.056 ( 10.540 0.000 -10.239) 14.694 31.291 ( 3.312 0.000 13.568) 13.966 31.422 ( 1.516 0.000 -4.745) 4.981 32.053 ( -16.147 0.000 24.431) 29.285 32.077 ( 22.081 0.000 -11.206) 24.761 33.458 ( -18.537 0.000 -9.607) 20.879 36.066 ( 37.168 0.000 -13.064) 39.397 36.242 ( -1.936 0.000 -8.583) 8.799 37.600 ( -35.829 0.000 7.627) 36.632 38.447 ( -34.871 0.000 -13.404) 37.359 42.289 ( 20.370 0.000 0.595) 20.379 42.571 ( 21.462 0.000 -5.936) 22.268 42.903 ( -0.217 0.000 5.605) 5.609 43.398 ( -7.467 0.000 -4.799) 8.877 ======================= Grid point 302 (96/180) ======================= q-point: ( 0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( 21.961 0.000 -5.861) 22.730 4.088 ( -22.830 0.000 -12.346) 25.954 4.579 ( 11.265 0.000 -10.027) 15.081 4.747 ( -5.949 0.000 -21.800) 22.597 5.751 ( 16.523 0.000 1.907) 16.633 6.115 ( -17.890 0.000 8.179) 19.671 6.563 ( 23.933 0.000 -7.047) 24.949 6.978 ( -15.834 0.000 -3.807) 16.285 8.252 ( 20.279 0.000 20.705) 28.982 8.674 ( -20.264 0.000 20.436) 28.780 9.154 ( 8.979 0.000 4.950) 10.253 9.329 ( -7.822 0.000 3.117) 8.420 14.414 ( 23.129 0.000 7.857) 24.427 14.934 ( -27.394 0.000 12.068) 29.934 15.330 ( 33.086 0.000 -10.690) 34.770 15.992 ( -31.389 0.000 -10.417) 33.073 19.911 ( 23.958 0.000 -2.132) 24.053 20.293 ( 33.349 0.000 -13.326) 35.913 20.312 ( -15.600 0.000 3.137) 15.912 20.910 ( -27.499 0.000 -12.747) 30.309 29.188 ( 10.825 0.000 37.184) 38.728 29.439 ( -13.124 0.000 40.453) 42.529 31.252 ( 8.512 0.000 -8.427) 11.978 31.389 ( -4.531 0.000 -5.660) 7.250 31.445 ( 11.417 0.000 18.070) 21.374 31.727 ( -15.563 0.000 21.560) 26.591 32.554 ( 24.143 0.000 -11.296) 26.655 33.036 ( -22.686 0.000 -11.014) 25.218 36.409 ( 17.675 0.000 -1.961) 17.783 36.877 ( 41.064 0.000 -17.096) 44.481 36.913 ( -30.588 0.000 3.935) 30.840 37.695 ( -38.918 0.000 -16.262) 42.179 42.633 ( 13.394 0.000 1.953) 13.536 42.835 ( -6.561 0.000 3.557) 7.463 42.943 ( 15.466 0.000 -4.634) 16.146 43.211 ( -11.018 0.000 -4.239) 11.806 ======================= Grid point 308 (97/180) ======================= q-point: ( 0.00 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 0.000 13.677 34.363) 36.984 2.961 ( 0.000 14.713 36.220) 39.094 4.225 ( 0.000 10.481 21.851) 24.235 4.998 ( 0.000 -0.328 -24.422) 24.424 5.534 ( 0.000 -6.763 -13.101) 14.743 5.911 ( 0.000 10.821 30.882) 32.722 6.017 ( 0.000 12.687 -20.718) 24.294 6.281 ( 0.000 -4.727 25.770) 26.200 8.031 ( 0.000 -9.901 -12.223) 15.730 9.159 ( 0.000 -4.674 21.133) 21.644 9.228 ( 0.000 0.027 -24.202) 24.202 9.669 ( 0.000 -8.301 7.370) 11.101 14.250 ( 0.000 14.650 -6.005) 15.833 14.289 ( 0.000 0.420 18.734) 18.739 14.461 ( 0.000 -13.275 -3.486) 13.725 16.609 ( 0.000 -3.182 -34.823) 34.968 17.603 ( 0.000 49.543 1.164) 49.557 18.255 ( 0.000 7.747 -1.340) 7.862 20.735 ( 0.000 -6.167 24.875) 25.628 22.329 ( 0.000 -5.353 -13.558) 14.577 29.376 ( 0.000 -11.670 20.457) 23.552 29.932 ( 0.000 -10.048 -4.256) 10.912 30.092 ( 0.000 -0.636 22.999) 23.008 30.870 ( 0.000 6.854 -20.770) 21.871 30.976 ( 0.000 33.086 -23.071) 40.336 31.552 ( 0.000 10.590 -11.286) 15.476 32.922 ( 0.000 -5.229 24.206) 24.765 34.246 ( 0.000 1.737 -6.366) 6.599 36.788 ( 0.000 -2.562 18.453) 18.630 38.058 ( 0.000 -0.503 -11.335) 11.346 38.707 ( 0.000 -42.360 12.517) 44.171 39.400 ( 0.000 -19.868 -8.907) 21.773 40.810 ( 0.000 17.618 0.474) 17.625 40.938 ( 0.000 31.263 -4.075) 31.527 42.396 ( 0.000 -4.487 15.126) 15.778 43.489 ( 0.000 -4.401 -9.661) 10.616 ======================= Grid point 309 (98/180) ======================= q-point: ( 0.09 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -0.957 10.857 35.166) 36.816 3.000 ( 9.651 14.346 33.446) 37.651 4.427 ( 17.957 8.316 15.390) 25.069 4.979 ( -1.893 -1.302 -23.598) 23.709 5.479 ( -4.577 -3.816 -13.427) 14.690 5.743 ( -11.716 7.747 -1.478) 14.123 6.182 ( 13.052 10.407 19.763) 25.870 6.404 ( 9.170 -0.787 16.406) 18.811 7.990 ( -3.520 -9.364 -10.795) 14.718 9.042 ( -6.654 -2.361 4.645) 8.451 9.336 ( 5.920 -1.948 -6.784) 9.212 9.636 ( -3.345 -7.655 7.847) 11.461 13.827 ( -12.699 -0.499 6.218) 14.148 14.130 ( -9.944 15.289 -7.905) 19.878 15.334 ( 49.463 -17.427 5.970) 52.782 16.815 ( 15.374 3.250 -26.592) 30.888 17.677 ( 10.298 45.579 -5.646) 47.068 18.205 ( -4.369 5.981 -1.333) 7.526 20.730 ( -0.517 -5.380 23.282) 23.901 22.266 ( -6.163 -5.053 -13.522) 15.696 29.277 ( -8.022 -5.897 20.730) 22.997 29.921 ( -0.570 -1.568 13.216) 13.321 30.191 ( 8.151 -10.296 8.327) 15.549 30.889 ( 4.542 8.170 -16.744) 19.177 31.121 ( 9.043 18.984 -21.442) 30.032 31.619 ( 7.055 16.635 -13.278) 22.423 32.851 ( -7.002 -5.102 24.746) 26.219 34.203 ( -4.174 2.706 -7.020) 8.603 36.138 ( -45.758 -3.034 25.791) 52.613 37.666 ( -31.338 -3.190 -12.878) 34.031 38.990 ( 9.847 -29.823 7.718) 32.341 39.580 ( 9.139 -19.062 -7.930) 22.578 40.889 ( 11.181 15.098 0.186) 18.788 41.026 ( 11.155 23.137 -3.911) 25.982 42.509 ( 9.716 -1.768 12.357) 15.818 43.503 ( 0.993 -4.720 -9.194) 10.382 ======================= Grid point 310 (99/180) ======================= q-point: ( 0.18 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 2.022 8.916 31.242) 32.552 3.336 ( 21.333 8.786 26.828) 35.384 4.854 ( 17.520 0.810 -2.773) 17.757 4.928 ( 1.016 -2.692 -15.478) 15.743 5.368 ( -6.404 4.555 -17.220) 18.928 5.508 ( -9.644 2.393 -7.307) 12.333 6.484 ( 12.146 2.208 28.388) 30.956 6.602 ( 12.787 8.234 12.909) 19.948 7.909 ( -4.172 -9.073 -8.728) 13.263 8.930 ( -3.814 -1.120 4.076) 5.693 9.434 ( 3.241 -2.593 -2.515) 4.853 9.532 ( -6.643 -4.967 8.455) 11.845 13.807 ( 8.336 3.501 -1.015) 9.098 13.960 ( -4.036 12.257 -7.156) 14.756 16.095 ( 16.667 -15.459 13.610) 26.496 17.095 ( 13.701 16.358 -17.470) 27.577 18.026 ( 10.646 17.047 -6.885) 21.245 18.252 ( 24.513 11.589 -12.792) 29.980 20.712 ( -1.382 -3.604 19.035) 19.422 22.084 ( -11.578 -4.012 -13.392) 18.152 29.117 ( -6.686 1.141 24.227) 25.159 29.910 ( -0.740 3.628 26.853) 27.108 30.386 ( 10.620 -15.870 -0.472) 19.102 31.061 ( 11.527 1.879 -11.875) 16.656 31.246 ( 3.704 6.436 -13.161) 15.111 31.806 ( 8.745 22.473 -13.645) 27.707 32.640 ( -13.319 -4.306 26.477) 29.950 34.069 ( -9.615 4.482 -7.773) 13.151 35.431 ( -17.342 -0.881 19.341) 25.993 36.993 ( -32.023 -4.313 -14.283) 35.328 38.840 ( -21.530 -12.045 8.721) 26.166 39.532 ( -13.900 -10.080 -8.299) 19.071 41.298 ( 25.648 6.001 -0.710) 26.350 41.436 ( 26.996 5.217 -3.755) 27.750 42.725 ( 10.298 1.807 7.849) 13.074 43.510 ( -0.669 -4.975 -7.831) 9.302 ======================= Grid point 311 (100/180) ======================= q-point: ( 0.27 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 10.464 5.909 19.614) 23.003 3.815 ( 24.695 4.186 19.449) 31.711 4.765 ( -10.647 -6.860 -18.728) 22.609 5.096 ( -6.015 5.588 -21.564) 23.074 5.373 ( 0.390 -3.395 -11.394) 11.895 5.477 ( 18.741 2.216 -2.721) 19.067 6.550 ( -2.995 -3.678 13.842) 14.632 6.969 ( 18.342 11.810 22.072) 31.033 7.834 ( -2.261 -8.199 -4.255) 9.510 8.900 ( 0.788 -0.635 5.792) 5.880 9.348 ( -9.843 -1.266 12.970) 16.332 9.484 ( 0.182 -1.384 -2.298) 2.689 13.907 ( 4.570 9.012 -2.962) 10.530 14.203 ( 23.983 7.680 -7.020) 26.143 16.015 ( -17.753 0.292 17.208) 24.726 17.160 ( -11.756 16.682 -12.935) 24.162 18.409 ( 32.002 -10.438 -2.811) 33.779 18.987 ( 39.038 16.138 -18.580) 46.148 20.665 ( -3.590 -1.862 13.188) 13.794 21.802 ( -16.001 -1.851 -13.212) 20.833 29.030 ( -1.521 3.889 28.594) 28.897 29.868 ( -4.149 4.605 35.631) 36.166 30.613 ( 11.612 -16.824 -2.081) 20.548 31.242 ( 3.354 -2.762 -10.768) 11.612 31.383 ( 11.954 6.282 -3.026) 13.839 31.905 ( 1.595 14.030 -4.934) 14.957 32.357 ( -12.989 -1.023 23.095) 26.517 33.804 ( -15.921 2.032 -7.147) 17.569 35.496 ( 20.956 3.157 -1.827) 21.271 36.445 ( -20.272 -3.578 -13.067) 24.382 38.260 ( -33.097 -6.010 9.859) 35.053 39.102 ( -26.647 -0.998 -10.638) 28.710 41.823 ( 24.751 0.715 0.190) 24.762 41.994 ( 25.870 -4.458 -2.270) 26.349 42.899 ( 6.476 3.874 3.960) 8.523 43.467 ( -3.653 -4.509 -6.162) 8.464 ======================= Grid point 312 (101/180) ======================= q-point: ( 0.36 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 17.068 2.955 6.500) 18.501 4.290 ( 19.918 2.048 8.737) 21.846 4.467 ( -16.963 -4.260 -14.566) 22.761 4.965 ( -5.806 9.032 -26.858) 28.925 5.401 ( 4.937 -7.901 -7.259) 11.811 5.910 ( 17.168 -10.902 -0.658) 20.347 6.429 ( -5.508 -0.866 4.248) 7.009 7.170 ( -1.651 2.277 3.663) 4.618 7.921 ( 13.137 0.006 13.809) 19.060 8.916 ( -2.974 -3.802 11.981) 12.917 9.159 ( -5.354 6.662 10.889) 13.843 9.452 ( -3.389 -0.184 0.494) 3.430 14.100 ( 14.425 7.628 2.578) 16.520 14.782 ( 31.720 9.843 -10.365) 34.791 15.544 ( -26.476 4.573 15.880) 31.210 16.743 ( -26.519 14.878 -11.228) 32.415 19.119 ( 34.326 -14.135 -0.812) 37.131 19.729 ( 32.467 9.866 -13.639) 36.572 20.557 ( -6.854 0.487 5.589) 8.857 21.438 ( -19.700 1.942 -13.308) 23.853 29.063 ( 4.807 3.961 32.407) 33.000 29.719 ( -10.526 3.416 39.798) 41.308 30.862 ( 13.067 -14.034 0.787) 19.192 31.306 ( 4.143 0.604 -7.020) 8.174 31.556 ( 2.198 8.702 0.946) 9.025 31.882 ( -6.967 -9.270 17.882) 21.313 32.236 ( 6.599 8.088 -2.123) 10.652 33.440 ( -19.743 -1.289 -8.534) 21.547 36.124 ( 36.169 4.909 -13.852) 39.041 36.223 ( 0.436 -1.309 -8.791) 8.898 37.559 ( -34.789 -3.594 8.623) 36.021 38.487 ( -33.391 3.375 -13.921) 36.334 42.273 ( 19.016 -2.120 1.656) 19.205 42.447 ( 18.010 -8.705 0.706) 20.016 42.987 ( 2.536 5.569 -0.050) 6.120 43.363 ( -6.523 -3.197 -5.027) 8.834 ======================= Grid point 313 (102/180) ======================= q-point: ( 0.45 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( 20.474 0.223 -3.800) 20.825 4.053 ( -20.886 -2.598 -10.226) 23.399 4.646 ( 12.633 5.767 -8.202) 16.128 4.839 ( -7.178 7.889 -21.459) 23.964 5.600 ( 14.195 -13.079 1.378) 19.351 5.912 ( -13.676 -16.892 8.466) 23.325 6.587 ( 18.351 0.070 -9.889) 20.846 6.960 ( -16.247 -2.909 -8.057) 18.367 8.290 ( 20.263 3.879 22.063) 30.206 8.680 ( -17.153 0.762 20.380) 26.649 9.209 ( 6.695 4.956 5.181) 9.810 9.350 ( -6.433 2.009 3.084) 7.411 14.481 ( 22.508 6.334 8.214) 24.783 14.990 ( -26.909 5.481 12.801) 30.299 15.458 ( 33.950 11.757 -11.707) 37.787 16.138 ( -32.265 13.265 -11.638) 36.775 19.740 ( 25.861 -13.066 2.629) 29.094 20.108 ( -5.039 -10.082 3.942) 11.940 20.555 ( 16.301 13.505 -13.727) 25.230 21.004 ( -22.813 7.758 -14.297) 28.018 29.221 ( 10.454 3.245 35.875) 37.508 29.468 ( -13.142 2.826 38.896) 41.154 31.142 ( 14.040 -8.847 2.619) 16.800 31.364 ( -3.541 -0.619 -5.213) 6.332 31.529 ( 1.128 3.196 8.077) 8.759 31.672 ( -10.327 -4.201 17.473) 20.727 32.561 ( 21.008 0.844 -9.788) 23.192 33.009 ( -22.214 -1.988 -9.737) 24.335 36.392 ( 17.675 -1.579 -1.235) 17.789 36.882 ( -23.122 -2.003 3.089) 23.413 36.952 ( 34.105 6.168 -16.194) 38.255 37.756 ( -38.248 5.443 -16.913) 42.173 42.582 ( 10.984 -4.903 3.552) 12.542 42.679 ( 3.130 -9.761 4.699) 11.276 43.049 ( 5.448 5.332 -4.921) 9.073 43.207 ( -8.541 -0.360 -5.023) 9.915 ======================= Grid point 319 (103/180) ======================= q-point: ( 0.00 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 0.000 18.770 28.680) 34.276 3.355 ( 0.000 21.965 29.800) 37.020 4.512 ( 0.000 15.985 12.497) 20.291 4.928 ( 0.000 -6.628 -14.234) 15.702 5.504 ( 0.000 3.935 -15.017) 15.524 6.127 ( 0.000 -5.922 21.835) 22.623 6.258 ( 0.000 18.597 31.503) 36.583 6.280 ( 0.000 12.618 -20.567) 24.130 7.773 ( 0.000 -14.355 -10.197) 17.608 9.003 ( 0.000 -11.112 18.082) 21.223 9.212 ( 0.000 -1.729 -23.077) 23.142 9.440 ( 0.000 -12.771 7.846) 14.989 14.164 ( 0.000 -7.320 8.350) 11.104 14.294 ( 0.000 -0.080 16.870) 16.871 14.777 ( 0.000 27.157 -11.659) 29.554 16.512 ( 0.000 -6.223 -34.077) 34.641 18.343 ( 0.000 16.446 3.439) 16.802 18.858 ( 0.000 52.445 -17.095) 55.160 20.540 ( 0.000 -12.853 24.761) 27.898 22.160 ( 0.000 -11.180 -14.286) 18.141 29.203 ( 0.000 -4.566 29.631) 29.981 29.698 ( 0.000 -11.732 2.193) 11.935 30.177 ( 0.000 7.524 25.640) 26.721 30.993 ( 0.000 3.798 -20.004) 20.361 31.413 ( 0.000 12.593 -15.248) 19.776 32.109 ( 0.000 38.885 -26.238) 46.909 32.783 ( 0.000 -7.725 23.991) 25.204 34.272 ( 0.000 0.037 -10.636) 10.636 36.723 ( 0.000 -3.296 19.727) 20.001 37.900 ( 0.000 -34.260 17.315) 38.387 38.043 ( 0.000 -0.887 -12.442) 12.473 38.927 ( 0.000 -23.463 -12.726) 26.692 41.153 ( 0.000 14.931 5.290) 15.840 41.560 ( 0.000 27.600 -6.590) 28.376 42.264 ( 0.000 -8.026 15.304) 17.281 43.355 ( 0.000 -8.542 -9.704) 12.928 ======================= Grid point 320 (104/180) ======================= q-point: ( 0.09 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -0.780 20.231 28.296) 34.793 3.344 ( 3.431 18.350 30.198) 35.502 4.643 ( 11.439 11.400 6.950) 17.581 4.891 ( -3.445 -7.011 -13.793) 15.852 5.498 ( -0.412 5.288 -15.395) 16.283 5.892 ( -14.894 4.547 -0.300) 15.576 6.322 ( 7.740 3.681 24.035) 25.518 6.552 ( 15.992 16.398 7.057) 23.968 7.737 ( -3.274 -14.450 -9.684) 17.700 8.938 ( -4.511 -8.636 10.249) 14.141 9.279 ( 4.713 -3.519 -12.590) 13.896 9.431 ( -0.785 -11.031 7.068) 13.124 13.836 ( -6.963 1.660 6.134) 9.427 14.513 ( -12.108 19.260 -10.082) 24.884 15.095 ( 41.248 -5.500 12.897) 43.566 16.823 ( 24.826 -0.864 -27.402) 36.986 18.303 ( -3.150 12.004 2.922) 12.750 18.810 ( -3.508 50.983 -17.585) 54.045 20.563 ( 1.928 -10.785 21.918) 24.504 22.107 ( -5.113 -10.431 -14.199) 18.345 29.190 ( -1.200 -2.037 29.643) 29.737 29.766 ( 6.448 -11.392 3.166) 13.467 30.170 ( -0.647 6.354 25.883) 26.659 31.004 ( 1.397 2.578 -17.433) 17.678 31.417 ( 0.575 12.367 -14.364) 18.963 32.194 ( 6.800 33.952 -25.092) 42.762 32.717 ( -6.450 -7.365 24.160) 26.068 34.266 ( -0.543 2.872 -12.687) 13.020 36.060 ( -43.782 -4.072 24.433) 50.303 37.566 ( -34.474 -6.331 -13.950) 37.725 38.370 ( 24.656 -27.946 11.545) 39.015 39.184 ( 13.167 -17.732 -9.253) 23.946 41.176 ( 4.328 11.490 5.208) 13.337 41.500 ( -1.185 21.624 -1.984) 21.748 42.461 ( 15.051 -2.579 8.590) 17.520 43.363 ( 0.647 -8.601 -9.065) 12.513 ======================= Grid point 321 (105/180) ======================= q-point: ( 0.18 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -1.983 19.264 28.514) 34.469 3.555 ( 15.219 11.489 24.878) 31.346 4.796 ( -5.917 -6.986 -13.902) 16.646 4.910 ( 13.487 1.978 -2.926) 13.942 5.488 ( -1.134 5.437 -10.433) 11.819 5.600 ( -12.569 6.147 -12.083) 18.487 6.460 ( 3.983 -1.741 14.428) 15.069 6.908 ( 18.699 18.355 16.958) 31.211 7.656 ( -4.013 -14.575 -7.415) 16.838 8.866 ( -2.038 -5.915 7.692) 9.915 9.350 ( 1.125 -5.270 3.888) 6.645 9.422 ( 0.715 -4.812 -1.816) 5.192 13.919 ( 13.511 6.928 -1.340) 15.243 14.272 ( -8.022 16.696 -10.868) 21.476 15.882 ( 28.838 -6.292 18.314) 34.737 17.288 ( 18.343 5.436 -15.611) 24.693 18.232 ( -4.823 6.429 2.211) 8.336 18.860 ( 13.652 38.935 -20.976) 46.285 20.602 ( 1.459 -6.954 15.593) 17.135 21.959 ( -9.180 -8.059 -13.966) 18.554 29.159 ( -1.626 2.846 29.738) 29.918 29.942 ( 10.028 -6.653 8.851) 14.938 30.149 ( -1.222 0.068 23.743) 23.775 31.058 ( 3.769 -2.231 -12.758) 13.488 31.453 ( 3.500 12.690 -11.592) 17.540 32.281 ( -1.379 20.014 -15.220) 25.181 32.538 ( -9.608 -3.854 21.534) 23.893 34.207 ( -8.299 8.830 -13.916) 18.453 35.409 ( -13.187 -1.170 16.454) 21.119 36.867 ( -31.818 -7.535 -14.706) 35.853 38.537 ( -9.515 -16.165 9.848) 21.186 39.281 ( -3.438 -12.623 -6.829) 14.758 41.388 ( 15.841 1.552 4.366) 16.505 41.630 ( 14.262 13.703 0.846) 19.797 42.758 ( 12.916 0.883 2.298) 13.148 43.370 ( -0.303 -8.216 -7.588) 11.188 ======================= Grid point 322 (106/180) ======================= q-point: ( 0.27 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 5.568 13.633 21.456) 26.024 3.918 ( 19.735 5.209 19.849) 28.471 4.641 ( -9.691 -5.521 -13.695) 17.662 5.127 ( 5.916 -1.631 -15.450) 16.624 5.342 ( -8.325 -0.313 -6.609) 10.634 5.543 ( 3.913 4.045 -11.771) 13.047 6.455 ( -3.938 -4.994 3.760) 7.389 7.206 ( 5.187 5.793 4.495) 8.981 7.663 ( 9.257 -3.323 9.655) 13.782 8.856 ( 0.557 -4.043 9.784) 10.601 9.329 ( -2.111 -0.386 11.569) 11.767 9.453 ( 1.310 -1.387 -4.678) 5.052 14.146 ( 4.103 12.996 -4.429) 14.330 14.416 ( 25.733 12.161 -8.947) 29.835 16.073 ( -9.045 5.056 20.018) 22.541 17.500 ( -4.913 13.369 -14.376) 20.237 18.256 ( 16.841 -3.500 7.383) 18.718 19.352 ( 29.685 19.083 -17.750) 39.502 20.608 ( -0.954 -3.576 7.688) 8.533 21.743 ( -11.843 -3.825 -13.849) 18.619 29.139 ( 0.047 6.274 30.025) 30.674 30.007 ( -5.838 8.469 34.312) 35.821 30.257 ( 13.376 -16.209 3.409) 21.290 31.147 ( 4.982 -6.019 -10.457) 13.054 31.571 ( 7.766 10.618 -5.403) 14.221 32.077 ( -16.058 1.568 9.976) 18.969 32.403 ( -4.372 5.438 2.971) 7.584 33.882 ( -20.948 5.728 -6.776) 22.749 35.589 ( 26.065 5.708 -6.950) 27.573 36.345 ( -18.153 -5.793 -12.709) 22.904 38.108 ( -28.797 -8.177 11.561) 32.090 39.053 ( -18.586 -3.789 -10.345) 21.606 41.764 ( 19.790 -6.311 5.532) 21.496 41.999 ( 19.347 5.499 2.290) 20.244 42.966 ( 7.470 1.658 -1.537) 7.805 43.345 ( -2.148 -6.599 -6.158) 9.278 ======================= Grid point 323 (107/180) ======================= q-point: ( 0.36 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 12.731 7.455 11.064) 18.440 4.270 ( 3.526 -3.797 6.492) 8.307 4.453 ( 2.086 1.777 -3.389) 4.358 5.139 ( -3.151 6.580 -25.079) 26.118 5.247 ( -1.258 -5.742 -8.534) 10.363 5.634 ( 1.291 -13.948 3.701) 14.488 6.379 ( -0.273 -3.930 -9.532) 10.314 7.104 ( -11.347 -9.641 -11.415) 18.762 8.012 ( 20.568 9.216 23.746) 32.739 8.849 ( -2.618 -2.810 15.193) 15.671 9.297 ( -0.194 6.287 9.049) 11.021 9.457 ( -1.033 0.832 -0.592) 1.453 14.308 ( 12.756 11.666 2.025) 17.404 15.047 ( 34.270 14.822 -12.505) 39.376 15.689 ( -24.906 9.084 17.914) 31.996 17.116 ( -27.388 19.297 -13.983) 36.304 18.835 ( 32.898 -12.793 9.936) 36.670 19.876 ( 16.903 4.003 -2.357) 17.530 20.596 ( 2.621 3.641 -6.830) 8.171 21.482 ( -13.813 2.043 -14.518) 20.143 29.180 ( 4.325 7.118 30.784) 31.891 29.815 ( -12.037 5.364 35.160) 37.548 30.574 ( 17.089 -12.640 7.235) 22.453 31.271 ( 7.385 -4.997 -10.305) 13.627 31.682 ( -6.486 -5.454 18.615) 20.453 31.743 ( -8.929 5.523 -1.628) 10.625 32.376 ( 3.820 4.573 -4.634) 7.548 33.436 ( -22.311 1.649 -6.135) 23.198 36.138 ( 4.764 -3.214 -7.167) 9.187 36.307 ( 34.851 8.778 -17.419) 39.938 37.470 ( -32.392 -4.693 10.788) 34.463 38.560 ( -29.113 3.143 -14.730) 32.778 42.146 ( 16.916 -9.577 6.812) 20.598 42.344 ( 13.476 -0.813 4.980) 14.390 43.069 ( 3.121 1.466 -4.646) 5.786 43.285 ( -3.700 -3.499 -5.604) 7.572 ======================= Grid point 324 (108/180) ======================= q-point: ( 0.45 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.652 ( 16.844 2.360 1.662) 17.089 4.007 ( -17.410 -1.648 -4.625) 18.089 4.765 ( 16.215 3.708 1.155) 16.674 5.018 ( -8.809 7.851 -16.382) 20.189 5.307 ( 7.364 -12.294 -6.664) 15.804 5.516 ( -11.035 -19.132 4.819) 22.606 6.520 ( 12.883 -6.450 -16.512) 21.914 6.822 ( -15.394 -10.458 -15.181) 24.017 8.410 ( 17.764 7.355 23.387) 30.276 8.710 ( -11.176 1.995 20.478) 23.414 9.335 ( 3.511 6.702 5.563) 9.391 9.411 ( -3.345 3.784 2.858) 5.803 14.659 ( 21.365 10.330 8.729) 25.286 15.152 ( -26.291 9.646 14.147) 31.375 15.770 ( 35.863 17.127 -14.308) 42.240 16.484 ( -33.787 18.728 -14.466) 41.249 19.459 ( 27.084 -13.258 11.729) 32.356 19.889 ( -13.512 -10.594 12.188) 21.056 20.823 ( 17.304 11.881 -19.031) 28.333 21.177 ( -16.402 8.129 -16.630) 24.732 29.321 ( 9.490 6.306 32.160) 34.119 29.553 ( -12.858 5.243 33.914) 36.647 30.939 ( 18.601 -10.170 11.214) 23.983 31.317 ( -17.287 -5.718 9.087) 20.349 31.464 ( 8.227 -6.577 0.831) 10.565 31.651 ( -7.903 0.508 -2.420) 8.281 32.595 ( 16.548 2.479 -6.978) 18.130 32.989 ( -21.257 0.865 -6.706) 22.306 36.348 ( 17.919 -2.472 0.760) 18.105 36.828 ( -26.822 -2.978 6.911) 27.858 37.120 ( 38.238 9.250 -19.875) 44.077 37.893 ( -36.005 7.139 -18.394) 41.057 42.422 ( 9.644 -9.772 7.946) 15.863 42.508 ( 1.930 -6.663 7.884) 10.501 43.123 ( 2.982 1.587 -6.937) 7.716 43.201 ( -4.334 0.065 -6.379) 7.712 ======================= Grid point 330 (109/180) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.536 ( 0.000 17.276 22.689) 28.518 3.795 ( 0.000 18.453 21.583) 28.396 4.775 ( 0.000 -6.321 -0.946) 6.392 4.810 ( 0.000 10.774 4.278) 11.593 5.644 ( 0.000 8.131 -15.721) 17.699 5.962 ( 0.000 -7.492 19.558) 20.944 6.535 ( 0.000 12.164 -17.639) 21.427 6.760 ( 0.000 27.476 25.014) 37.157 7.466 ( 0.000 -14.531 -9.135) 17.164 8.662 ( 0.000 -22.354 15.788) 27.367 9.159 ( 0.000 -3.158 -19.181) 19.439 9.209 ( 0.000 -8.414 5.558) 10.084 14.100 ( 0.000 0.402 11.397) 11.404 14.278 ( 0.000 -1.658 14.670) 14.763 15.337 ( 0.000 25.519 -19.029) 31.832 16.352 ( 0.000 -9.294 -32.715) 34.010 18.713 ( 0.000 21.017 12.555) 24.482 19.909 ( 0.000 46.785 -23.428) 52.323 20.204 ( 0.000 -19.686 24.313) 31.283 21.860 ( 0.000 -18.025 -15.947) 24.066 29.167 ( 0.000 0.422 31.127) 31.130 29.472 ( 0.000 -9.761 9.928) 13.923 30.374 ( 0.000 11.131 20.411) 23.249 30.997 ( 0.000 -3.681 -13.276) 13.777 31.698 ( 0.000 16.136 -6.080) 17.243 32.611 ( 0.000 -9.190 19.818) 21.845 32.910 ( 0.000 36.323 -29.077) 46.528 34.216 ( 0.000 -6.134 -15.704) 16.860 36.677 ( 0.000 -0.400 20.385) 20.389 37.311 ( 0.000 -23.054 17.720) 29.077 38.029 ( 0.000 -0.235 -14.041) 14.043 38.487 ( 0.000 -18.424 -15.065) 23.799 41.424 ( 0.000 11.662 9.830) 15.252 42.074 ( 0.000 22.501 -7.704) 23.783 42.076 ( 0.000 -9.972 15.304) 18.266 43.139 ( 0.000 -12.256 -9.627) 15.585 ======================= Grid point 331 (110/180) ======================= q-point: ( 0.09 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.584 ( 4.021 17.115 21.158) 27.509 3.745 ( -3.807 19.319 23.467) 30.633 4.730 ( -3.690 -6.181 -0.345) 7.207 4.854 ( 3.643 6.683 0.297) 7.618 5.625 ( -2.140 4.806 -10.340) 11.601 5.893 ( -6.890 -2.058 4.460) 8.461 6.485 ( -1.070 11.210 -4.254) 12.038 6.969 ( 15.312 22.376 16.604) 31.794 7.427 ( -3.293 -14.015 -8.033) 16.486 8.649 ( -0.614 -19.576 14.258) 24.226 9.192 ( 2.532 -4.818 -6.848) 8.747 9.245 ( 3.714 -5.911 -2.618) 7.456 13.890 ( -1.980 3.161 5.307) 6.486 14.798 ( 14.779 6.310 5.272) 16.913 15.115 ( 4.260 7.090 -7.643) 11.261 16.807 ( 33.133 -0.494 -25.991) 42.114 18.593 ( -10.545 16.577 12.509) 23.291 19.771 ( -9.783 37.045 -14.787) 41.069 20.318 ( 7.703 -9.173 13.036) 17.703 21.832 ( -2.750 -16.241 -15.711) 22.764 29.183 ( 1.506 0.868 31.208) 31.256 29.542 ( 6.555 -9.550 9.773) 15.155 30.360 ( -1.423 11.113 21.688) 24.411 30.990 ( -0.636 -4.060 -11.619) 12.325 31.701 ( 0.459 15.499 -6.107) 16.665 32.554 ( -5.661 -8.433 19.293) 21.804 32.861 ( -5.251 28.066 -25.279) 38.136 34.305 ( 8.270 0.674 -20.683) 22.286 35.987 ( -41.844 -2.672 22.056) 47.376 37.421 ( -37.272 -7.046 -14.900) 40.754 37.881 ( 29.199 -19.021 14.472) 37.733 38.884 ( 17.803 -11.022 -10.649) 23.491 41.353 ( -3.800 5.892 10.658) 12.757 41.889 ( -2.798 15.171 2.998) 15.715 42.428 ( 17.648 0.391 1.329) 17.702 43.157 ( 1.579 -11.136 -8.849) 14.311 ======================= Grid point 332 (111/180) ======================= q-point: ( 0.18 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( -4.718 23.216 22.474) 32.655 3.787 ( 9.002 10.660 20.694) 24.958 4.641 ( -4.897 -6.845 -3.338) 9.054 4.947 ( 5.295 0.143 -3.768) 6.500 5.524 ( -8.548 -1.887 3.594) 9.462 5.743 ( -6.023 6.739 -18.728) 20.795 6.468 ( -2.288 3.104 -4.923) 6.253 7.199 ( -0.404 -3.106 -6.583) 7.290 7.456 ( 13.467 8.493 16.425) 22.875 8.663 ( 2.237 -13.761 13.658) 19.517 9.250 ( 3.282 -3.926 4.523) 6.829 9.342 ( 5.168 -2.867 -6.995) 9.157 14.067 ( 17.888 6.706 -2.686) 19.292 14.600 ( -10.971 14.084 -15.470) 23.623 15.783 ( 35.386 -4.152 19.576) 40.652 17.394 ( 20.375 5.157 -12.640) 24.526 18.377 ( -8.220 7.643 8.469) 14.061 19.619 ( -2.504 31.253 -13.264) 34.044 20.451 ( 4.985 -6.057 5.316) 9.476 21.755 ( -4.654 -11.454 -15.174) 19.573 29.224 ( 2.334 3.116 31.192) 31.434 29.723 ( 10.783 -10.364 9.064) 17.488 30.311 ( -3.478 11.327 25.115) 27.769 30.978 ( -0.248 -5.831 -7.870) 9.798 31.725 ( 1.967 13.286 -4.800) 14.262 32.377 ( -11.740 -5.001 15.649) 20.192 32.692 ( -10.684 12.375 -15.853) 22.773 34.417 ( -5.543 10.640 -22.523) 25.519 35.388 ( -7.483 -0.770 13.010) 15.029 36.705 ( -30.923 -7.436 -14.451) 34.933 38.215 ( 0.627 -13.991 12.191) 18.568 39.057 ( 0.938 -8.545 -5.355) 10.127 41.387 ( 7.776 -0.954 9.556) 12.357 41.947 ( 7.976 15.947 2.613) 18.021 42.739 ( 12.392 -3.255 -2.115) 12.986 43.197 ( 2.163 -7.713 -7.254) 10.807 ======================= Grid point 333 (112/180) ======================= q-point: ( 0.27 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( -1.229 19.665 21.267) 28.991 4.017 ( 12.518 4.299 16.585) 21.219 4.527 ( -6.372 -5.431 -5.982) 10.290 5.052 ( 4.308 -7.079 -4.863) 9.608 5.325 ( -8.941 -0.680 0.995) 9.021 5.636 ( -5.654 4.999 -18.600) 20.073 6.375 ( -5.929 -1.983 -14.078) 15.404 7.058 ( -10.135 -14.760 -15.790) 23.872 7.846 ( 20.914 16.011 25.009) 36.321 8.731 ( 3.907 -7.881 15.342) 17.685 9.324 ( 3.764 -0.525 7.528) 8.433 9.437 ( 3.871 0.002 -4.326) 5.806 14.399 ( 5.335 10.605 -6.145) 13.367 14.669 ( 26.071 11.462 -12.292) 31.019 16.186 ( 0.001 4.826 21.310) 21.850 17.667 ( 7.949 3.909 -6.077) 10.742 18.271 ( -0.312 3.654 8.613) 9.361 19.742 ( 12.642 17.322 -6.376) 22.372 20.529 ( 3.792 -3.500 -4.842) 7.077 21.648 ( -5.812 -5.140 -14.915) 16.812 29.275 ( 2.758 6.597 30.211) 31.045 29.939 ( 7.664 -12.555 9.403) 17.458 30.237 ( -1.357 11.787 28.035) 30.443 30.996 ( 2.447 -8.891 -3.721) 9.944 31.761 ( -0.370 6.785 4.828) 8.335 32.096 ( -14.265 2.530 1.232) 14.539 32.476 ( -9.005 0.586 -6.564) 11.159 34.024 ( -25.744 7.028 -6.666) 27.506 35.720 ( 30.797 6.458 -13.227) 34.134 36.227 ( -14.638 -5.120 -11.681) 19.414 37.941 ( -23.865 -7.528 13.434) 28.402 38.961 ( -10.949 -4.493 -8.563) 14.608 41.634 ( 15.200 -5.466 10.081) 19.040 42.166 ( 11.868 9.925 4.534) 16.122 42.926 ( 6.350 -6.030 -5.177) 10.173 43.238 ( 1.681 -2.911 -6.123) 6.986 ======================= Grid point 334 (113/180) ======================= q-point: ( 0.36 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( 5.555 12.208 16.144) 20.989 4.184 ( -2.510 -4.183 8.082) 9.441 4.462 ( 6.049 -1.218 1.544) 6.360 5.075 ( -2.703 -14.079 4.224) 14.945 5.228 ( -0.435 3.668 -14.760) 15.215 5.491 ( -8.489 2.110 -12.491) 15.249 6.286 ( -1.383 -4.311 -22.923) 23.366 6.820 ( -12.874 -15.988 -18.861) 27.877 8.251 ( 18.250 12.402 24.706) 33.125 8.791 ( 1.181 -3.098 17.992) 18.295 9.397 ( 3.377 2.972 7.522) 8.764 9.492 ( 1.512 2.591 -0.744) 3.091 14.544 ( 11.497 10.288 0.958) 15.458 15.346 ( 36.683 13.025 -15.508) 41.902 15.887 ( -23.877 9.140 19.118) 31.924 17.471 ( -24.705 13.870 -15.735) 32.408 18.613 ( 29.182 -8.248 19.663) 36.142 19.905 ( -1.239 -0.424 13.411) 13.475 20.696 ( 14.045 5.268 -20.879) 25.709 21.513 ( -7.715 0.868 -15.731) 17.543 29.346 ( 4.578 8.675 28.348) 29.997 29.890 ( -9.589 -0.088 21.692) 23.717 30.403 ( 15.125 -1.830 19.286) 24.578 31.085 ( 6.113 -12.473 2.599) 14.131 31.581 ( -15.795 -2.065 15.153) 21.985 31.875 ( -10.034 4.453 -14.796) 18.424 32.418 ( 5.263 0.288 -5.098) 7.333 33.510 ( -24.121 4.811 -4.458) 24.997 36.066 ( 3.979 -3.276 -4.679) 6.961 36.497 ( 38.123 8.835 -21.494) 44.648 37.374 ( -29.773 -4.377 13.001) 32.781 38.605 ( -23.576 1.256 -14.761) 27.844 41.957 ( 15.566 -7.782 11.233) 20.713 42.362 ( 6.111 1.999 8.594) 10.733 43.027 ( 4.352 -4.730 -7.897) 10.182 43.252 ( -0.529 0.104 -6.200) 6.224 ======================= Grid point 335 (114/180) ======================= q-point: ( 0.45 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( 11.146 4.512 9.847) 15.542 3.979 ( -13.033 -1.420 4.677) 13.919 4.712 ( 14.198 -7.562 9.197) 18.529 4.961 ( -9.032 -14.124 9.094) 19.073 5.247 ( 1.937 4.688 -20.076) 20.707 5.327 ( -6.411 3.581 -15.651) 17.288 6.348 ( 7.317 -9.146 -24.399) 27.065 6.557 ( -12.378 -14.079 -21.785) 28.740 8.568 ( 12.602 7.264 23.014) 27.226 8.752 ( -5.376 1.782 20.709) 21.469 9.459 ( 2.623 4.723 5.634) 7.806 9.497 ( -0.958 4.310 2.740) 5.197 14.874 ( 20.584 9.573 8.704) 24.312 15.357 ( -26.144 9.348 14.903) 31.511 16.110 ( 37.547 14.567 -17.494) 43.909 16.849 ( -34.515 15.348 -17.456) 41.612 19.217 ( 27.747 -9.727 20.539) 35.866 19.691 ( -18.098 -8.112 19.689) 27.947 21.030 ( 16.475 7.920 -21.602) 28.298 21.319 ( -11.730 5.402 -18.083) 22.221 29.472 ( 8.025 8.026 26.594) 28.915 29.669 ( -10.938 5.267 25.142) 27.920 30.751 ( 18.236 -7.168 21.158) 28.837 31.101 ( -12.732 -13.288 29.090) 34.423 31.383 ( 5.427 -1.738 -16.085) 17.065 31.619 ( -13.909 -3.527 -13.121) 19.444 32.659 ( 16.604 3.414 -5.547) 17.836 33.048 ( -21.217 4.149 -4.832) 22.152 36.296 ( 18.300 -2.357 3.336) 18.751 36.768 ( -26.615 -2.608 9.829) 28.492 37.303 ( 37.548 7.851 -22.616) 44.530 38.027 ( -32.666 5.452 -19.807) 38.589 42.234 ( 11.100 -7.763 11.733) 17.920 42.388 ( -3.550 -4.847 11.358) 12.849 43.122 ( 4.947 -0.976 -8.547) 9.923 43.212 ( -3.444 0.640 -7.271) 8.071 ======================= Grid point 341 (115/180) ======================= q-point: ( 0.00 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.850 ( 0.000 12.566 16.121) 20.439 4.004 ( 0.000 -0.013 13.263) 13.263 4.755 ( 0.000 5.320 10.194) 11.498 4.887 ( 0.000 -3.496 6.951) 7.781 5.787 ( 0.000 4.967 -9.236) 10.487 5.856 ( 0.000 -2.956 6.028) 6.714 6.792 ( 0.000 13.041 -13.651) 18.879 7.061 ( 0.000 -10.313 -8.382) 13.290 7.479 ( 0.000 27.308 18.557) 33.016 8.108 ( 0.000 -30.125 17.523) 34.851 9.100 ( 0.000 -2.320 -2.362) 3.311 9.101 ( 0.000 -1.923 -11.876) 12.030 14.148 ( 0.000 3.594 12.110) 12.632 14.224 ( 0.000 -3.395 12.971) 13.408 15.796 ( 0.000 18.861 -25.897) 32.038 16.123 ( 0.000 -13.155 -30.297) 33.029 19.205 ( 0.000 25.844 19.300) 32.256 19.738 ( 0.000 -24.930 22.902) 33.853 20.764 ( 0.000 36.099 -21.938) 42.243 21.406 ( 0.000 -26.308 -18.702) 32.278 29.206 ( 0.000 3.233 25.928) 26.129 29.304 ( 0.000 -6.439 18.141) 19.250 30.618 ( 0.000 12.092 10.450) 15.982 30.851 ( 0.000 -9.846 -1.711) 9.994 32.059 ( 0.000 17.648 3.272) 17.949 32.384 ( 0.000 -13.309 12.130) 18.007 33.562 ( 0.000 26.444 -25.350) 36.632 33.996 ( 0.000 -15.631 -20.537) 25.809 36.731 ( 0.000 5.986 19.438) 20.338 36.934 ( 0.000 -13.840 18.028) 22.728 38.053 ( 0.000 3.245 -15.512) 15.848 38.188 ( 0.000 -10.325 -16.006) 19.048 41.649 ( 0.000 10.432 13.003) 16.671 41.863 ( 0.000 -10.414 14.702) 18.016 42.498 ( 0.000 18.767 -8.594) 20.641 42.852 ( 0.000 -15.562 -9.275) 18.117 ======================= Grid point 342 (116/180) ======================= q-point: ( 0.09 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.876 ( 2.633 10.923 15.411) 19.072 4.004 ( -0.236 2.753 12.758) 13.053 4.708 ( -4.523 5.738 11.546) 13.664 4.876 ( -0.908 -5.128 5.605) 7.651 5.658 ( -8.854 -0.160 2.447) 9.187 5.893 ( 0.036 1.209 -10.031) 10.103 6.722 ( -5.820 10.511 -12.765) 17.530 7.063 ( -1.697 -11.055 -13.220) 17.317 7.574 ( 9.472 26.247 21.152) 35.014 8.162 ( 5.406 -26.276 17.926) 32.264 9.114 ( 2.465 -2.118 -3.862) 5.047 9.172 ( 5.442 -1.691 -7.354) 9.303 13.945 ( 0.354 1.622 4.340) 4.647 14.846 ( 37.951 0.454 17.732) 41.892 15.259 ( -25.630 4.284 -25.065) 36.104 16.803 ( 39.557 -0.006 -25.275) 46.942 18.931 ( -21.013 12.828 20.392) 31.968 19.882 ( 8.796 -10.167 20.684) 24.669 20.646 ( -9.762 25.271 -23.747) 36.026 21.456 ( 3.880 -17.829 -17.693) 25.416 29.211 ( 1.515 1.393 26.762) 26.841 29.391 ( 7.239 -4.457 17.308) 19.283 30.604 ( -1.333 12.020 12.065) 17.083 30.842 ( -1.028 -9.755 -0.469) 9.820 32.040 ( -1.679 16.455 3.003) 16.811 32.343 ( -3.895 -12.389 11.661) 17.454 33.284 ( -19.570 11.336 -20.214) 30.333 34.299 ( 21.343 -0.725 -28.528) 35.636 35.954 ( -41.117 -0.677 19.597) 45.553 37.310 ( -39.131 -3.024 -15.577) 42.226 37.605 ( 30.577 -7.121 16.836) 35.624 38.733 ( 20.228 -3.612 -11.657) 23.625 41.430 ( -10.100 1.768 14.052) 17.395 42.081 ( 11.015 3.512 11.354) 16.204 42.515 ( 2.673 6.695 -9.700) 12.085 42.930 ( 6.779 -9.172 -7.729) 13.778 ======================= Grid point 343 (117/180) ======================= q-point: ( 0.18 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.953 ( 3.184 9.137 11.933) 15.363 3.984 ( -0.395 7.351 14.572) 16.326 4.584 ( -7.176 3.331 11.957) 14.338 4.856 ( -1.021 -8.673 4.096) 9.646 5.471 ( -8.802 -1.629 3.302) 9.541 5.846 ( -4.211 2.762 -17.829) 18.527 6.572 ( -8.812 5.461 -17.013) 19.923 6.967 ( -7.475 -9.998 -17.767) 21.714 7.839 ( 15.591 19.795 23.383) 34.376 8.325 ( 10.192 -17.474 18.687) 27.540 9.192 ( 5.018 -1.594 0.169) 5.267 9.306 ( 7.224 -0.770 -4.934) 8.781 14.170 ( 20.155 2.761 -3.856) 20.706 14.816 ( -13.179 5.977 -20.152) 24.809 15.707 ( 39.170 -2.538 21.438) 44.725 17.480 ( 22.688 2.424 -13.118) 26.319 18.518 ( -15.953 4.627 15.927) 23.012 19.994 ( 1.961 4.395 15.879) 16.592 20.467 ( -5.391 7.019 -24.728) 26.264 21.527 ( 2.621 -8.353 -16.366) 18.560 29.278 ( 4.889 1.787 28.745) 29.212 29.563 ( 9.062 -4.478 14.720) 17.857 30.563 ( -2.760 12.474 15.856) 20.362 30.808 ( -2.083 -10.404 3.090) 11.051 31.994 ( -3.218 12.274 5.809) 13.956 32.237 ( -5.812 -8.637 6.498) 12.272 32.864 ( -21.258 4.123 -16.959) 27.504 34.593 ( -5.120 5.031 -27.956) 28.863 35.379 ( -2.039 -0.154 10.055) 10.261 36.590 ( -29.917 -3.099 -13.771) 33.080 38.001 ( 5.602 -5.779 14.634) 16.701 38.939 ( 2.099 -2.865 -4.922) 6.070 41.368 ( 4.121 -0.621 11.930) 12.637 42.251 ( 6.831 11.962 7.392) 15.633 42.615 ( 6.426 -7.640 -8.881) 13.361 43.086 ( 7.611 -2.658 -6.337) 10.254 ======================= Grid point 344 (118/180) ======================= q-point: ( 0.27 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.895 ( -4.509 14.411 14.826) 21.162 4.085 ( 5.346 1.680 12.838) 14.008 4.441 ( -5.957 -2.014 8.268) 10.388 4.829 ( -1.718 -11.017 5.388) 12.384 5.331 ( -4.348 0.641 -3.080) 5.367 5.735 ( -6.544 3.454 -17.099) 18.632 6.383 ( -9.088 2.058 -24.592) 26.298 6.771 ( -11.427 -10.163 -21.877) 26.692 8.170 ( 16.234 13.192 24.120) 31.927 8.543 ( 10.335 -9.351 19.274) 23.785 9.308 ( 6.100 -0.651 3.210) 6.924 9.446 ( 6.134 0.463 -1.742) 6.394 14.554 ( 7.161 3.984 -7.163) 10.884 14.848 ( 25.200 4.884 -15.639) 30.058 16.248 ( 7.719 1.294 21.872) 23.230 17.715 ( 7.384 1.200 3.053) 8.080 18.341 ( -4.335 2.114 6.330) 7.958 20.001 ( -1.165 6.507 15.663) 17.001 20.487 ( 8.159 -0.510 -26.615) 27.842 21.555 ( 0.036 -2.968 -15.849) 16.125 29.395 ( 6.242 4.314 29.376) 30.340 29.732 ( 6.738 -6.475 11.813) 15.063 30.503 ( -2.379 13.451 19.984) 24.206 30.774 ( -0.710 -12.375 8.466) 15.010 31.858 ( -11.096 2.817 16.260) 19.886 32.160 ( -2.622 2.070 -12.178) 12.628 32.454 ( -16.434 -1.395 -11.483) 20.097 34.133 ( -28.154 2.956 -6.264) 28.993 35.826 ( 31.596 3.023 -17.592) 36.289 36.152 ( -10.360 -1.822 -11.062) 15.265 37.822 ( -20.435 -3.384 15.147) 25.660 38.890 ( -7.187 -1.914 -6.883) 10.134 41.554 ( 12.873 -2.025 11.763) 17.555 42.373 ( 4.487 8.461 9.402) 13.421 42.759 ( 7.841 -7.848 -10.369) 15.185 43.213 ( 4.487 -0.273 -6.174) 7.637 ======================= Grid point 345 (119/180) ======================= q-point: ( 0.36 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( -2.180 12.020 17.035) 20.962 4.087 ( -5.974 -5.599 15.439) 17.476 4.428 ( 5.532 -1.245 2.680) 6.272 4.785 ( -2.701 -9.873 5.065) 11.420 5.299 ( 0.795 2.191 -9.580) 9.859 5.589 ( -7.448 4.396 -13.605) 16.121 6.232 ( -5.073 -0.531 -30.689) 31.110 6.524 ( -12.195 -10.184 -25.613) 30.140 8.473 ( 13.082 7.863 23.575) 28.085 8.715 ( 6.020 -3.833 19.906) 21.146 9.428 ( 5.522 0.526 4.763) 7.312 9.542 ( 3.099 1.512 1.213) 3.655 14.699 ( 10.981 4.092 0.008) 11.718 15.543 ( 37.996 5.227 -18.062) 42.394 16.028 ( -23.092 3.773 19.364) 30.371 17.660 ( -19.793 4.383 -14.577) 24.969 18.504 ( 24.215 -2.394 24.065) 34.223 19.888 ( -10.624 -0.707 21.777) 24.241 20.782 ( 18.440 2.466 -27.120) 32.888 21.521 ( -3.639 0.054 -16.530) 16.926 29.518 ( 5.640 6.934 26.629) 28.089 29.801 ( -0.507 -5.967 11.774) 13.210 30.518 ( 4.900 11.137 24.320) 27.194 30.795 ( 2.761 -14.664 16.318) 22.111 31.582 ( -14.348 1.052 10.504) 17.813 31.907 ( -19.199 -0.463 -21.705) 28.981 32.423 ( 10.179 0.405 -5.546) 11.599 33.594 ( -24.739 2.450 -4.093) 25.195 36.016 ( 4.725 -1.318 -2.939) 5.718 36.638 ( 38.703 4.019 -24.658) 46.066 37.302 ( -28.311 -2.168 15.035) 32.129 38.618 ( -19.708 0.161 -14.217) 24.301 41.845 ( 14.714 -2.844 13.116) 19.916 42.406 ( -1.448 1.594 12.617) 12.799 42.934 ( 8.971 -3.016 -10.997) 14.509 43.260 ( 0.132 0.285 -6.666) 6.673 ======================= Grid point 346 (120/180) ======================= q-point: ( 0.45 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 495 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.825 ( 2.930 4.646 17.414) 18.260 3.934 ( -7.327 -3.011 16.627) 18.417 4.579 ( 7.681 -3.716 1.601) 8.682 4.710 ( -4.968 -7.232 2.723) 9.187 5.348 ( 3.743 3.435 -11.916) 12.954 5.448 ( -6.112 4.779 -12.190) 14.450 6.196 ( 1.788 -4.283 -31.764) 32.101 6.305 ( -8.639 -8.229 -29.115) 31.465 8.686 ( 7.550 3.616 22.321) 23.839 8.771 ( -0.689 0.024 20.942) 20.953 9.523 ( 3.624 1.561 4.803) 6.216 9.568 ( -0.554 1.948 3.506) 4.049 15.020 ( 20.286 3.903 8.344) 22.279 15.501 ( -26.231 3.883 14.969) 30.450 16.327 ( 38.364 5.702 -19.896) 43.591 17.075 ( -34.350 5.816 -19.329) 39.842 19.075 ( 27.883 -3.622 26.148) 38.396 19.571 ( -20.318 -3.116 24.535) 32.008 21.142 ( 15.625 2.780 -22.477) 27.515 21.394 ( -9.141 1.826 -18.691) 20.886 29.627 ( 5.239 5.857 21.204) 22.613 29.733 ( -5.020 0.412 15.818) 16.600 30.688 ( 10.290 1.929 31.467) 33.163 30.837 ( -1.646 -11.015 32.721) 34.565 31.375 ( -2.367 0.554 -12.781) 13.010 31.536 ( -15.530 -3.306 -21.539) 26.759 32.718 ( 17.748 1.782 -5.771) 18.748 33.122 ( -21.697 2.206 -4.810) 22.333 36.260 ( 18.505 -0.996 5.225) 19.254 36.728 ( -26.508 -1.073 11.779) 29.026 37.420 ( 36.713 3.062 -24.439) 44.209 38.106 ( -30.061 1.977 -20.561) 36.473 42.121 ( 11.948 -2.885 13.780) 18.465 42.317 ( -7.149 -1.818 13.662) 15.526 43.103 ( 7.304 -0.575 -9.356) 11.883 43.220 ( -3.983 0.177 -7.711) 8.681 ======================= Grid point 396 (121/180) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( 0.000 0.000 30.594) 30.594 3.527 ( 0.000 0.000 31.671) 31.671 4.225 ( 0.000 0.000 -8.811) 8.811 4.517 ( 0.000 0.000 -20.578) 20.578 5.422 ( 0.000 0.000 -11.310) 11.310 5.445 ( 0.000 0.000 -13.700) 13.700 6.711 ( 0.000 0.000 50.409) 50.409 6.857 ( 0.000 0.000 25.183) 25.183 7.813 ( 0.000 0.000 -17.651) 17.651 8.614 ( 0.000 0.000 -35.481) 35.481 9.582 ( 0.000 0.000 14.381) 14.381 9.845 ( 0.000 0.000 1.146) 1.146 14.019 ( 0.000 0.000 1.283) 1.283 14.364 ( 0.000 0.000 -14.630) 14.630 14.740 ( 0.000 0.000 25.038) 25.038 15.944 ( 0.000 0.000 -32.999) 32.999 17.416 ( 0.000 0.000 20.490) 20.490 18.060 ( 0.000 0.000 -9.716) 9.716 21.278 ( 0.000 0.000 22.036) 22.036 22.074 ( 0.000 0.000 -16.774) 16.774 29.858 ( 0.000 0.000 11.981) 11.981 29.999 ( 0.000 0.000 1.961) 1.961 30.204 ( 0.000 0.000 -7.318) 7.318 30.404 ( 0.000 0.000 -16.523) 16.523 30.508 ( 0.000 0.000 14.925) 14.925 31.212 ( 0.000 0.000 -15.349) 15.349 33.430 ( 0.000 0.000 20.254) 20.254 34.071 ( 0.000 0.000 -10.411) 10.411 37.184 ( 0.000 0.000 17.646) 17.646 37.818 ( 0.000 0.000 -13.094) 13.094 39.462 ( 0.000 0.000 1.327) 1.327 39.501 ( 0.000 0.000 -0.559) 0.559 40.478 ( 0.000 0.000 -0.121) 0.121 40.524 ( 0.000 0.000 -2.169) 2.169 42.753 ( 0.000 0.000 14.993) 14.993 43.313 ( 0.000 0.000 -11.961) 11.961 ======================= Grid point 397 (122/180) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( -5.021 0.000 30.358) 30.770 3.464 ( 10.533 0.000 28.217) 30.119 4.391 ( 14.913 0.000 -8.689) 17.260 4.514 ( -0.330 0.000 -19.589) 19.592 5.329 ( -10.504 0.000 -12.126) 16.043 5.355 ( -5.927 0.000 -11.868) 13.266 6.846 ( 12.285 0.000 47.547) 49.109 6.907 ( 4.109 0.000 23.936) 24.286 7.794 ( -1.734 0.000 -16.953) 17.042 8.616 ( 0.329 0.000 -33.001) 33.003 9.586 ( 0.372 0.000 12.960) 12.965 9.819 ( -2.698 0.000 1.748) 3.215 13.877 ( -10.287 0.000 -1.446) 10.388 13.912 ( -18.003 0.000 0.669) 18.016 15.553 ( 51.217 0.000 4.813) 51.443 16.262 ( 25.102 0.000 -24.648) 35.180 17.407 ( 1.214 0.000 17.954) 17.995 18.021 ( -3.142 0.000 -9.726) 10.221 21.242 ( -3.478 0.000 21.061) 21.346 22.011 ( -6.120 0.000 -16.445) 17.547 29.643 ( -9.738 0.000 13.468) 16.620 30.224 ( 2.768 0.000 -12.589) 12.890 30.268 ( 11.981 0.000 13.462) 18.021 30.546 ( 12.716 0.000 -10.663) 16.595 30.616 ( 13.003 0.000 3.935) 13.585 31.225 ( 1.510 0.000 -15.168) 15.243 33.366 ( -6.261 0.000 20.433) 21.371 34.014 ( -5.595 0.000 -10.637) 12.019 36.666 ( -40.315 0.000 22.235) 46.040 37.420 ( -32.427 0.000 -14.941) 35.704 39.489 ( -5.477 0.000 5.167) 7.530 39.701 ( 4.695 0.000 -5.559) 7.276 40.650 ( 18.495 0.000 -1.534) 18.558 40.651 ( 19.349 0.000 -1.527) 19.410 42.813 ( 5.316 0.000 13.888) 14.870 43.340 ( 2.197 0.000 -11.417) 11.626 ======================= Grid point 398 (123/180) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( -3.692 0.000 28.103) 28.345 3.747 ( 15.992 0.000 20.244) 25.798 4.499 ( -1.280 0.000 -16.111) 16.162 4.765 ( 18.816 0.000 -12.183) 22.416 5.070 ( -12.040 0.000 -8.462) 14.716 5.227 ( -5.268 0.000 -13.171) 14.185 6.978 ( 1.644 0.000 21.033) 21.097 7.153 ( 16.053 0.000 40.902) 43.940 7.758 ( -0.896 0.000 -14.476) 14.504 8.644 ( 2.924 0.000 -26.198) 26.361 9.592 ( -0.075 0.000 9.514) 9.514 9.732 ( -5.920 0.000 3.754) 7.010 13.729 ( -2.539 0.000 -1.739) 3.077 13.763 ( 2.847 0.000 -1.627) 3.279 16.501 ( 35.004 0.000 -3.692) 35.198 16.583 ( -0.664 0.000 0.512) 0.839 17.676 ( 29.345 0.000 0.946) 29.360 18.020 ( 7.832 0.000 -9.129) 12.028 21.140 ( -6.478 0.000 18.245) 19.361 21.830 ( -11.582 0.000 -15.428) 19.291 29.516 ( -2.800 0.000 19.731) 19.929 30.326 ( 7.127 0.000 -17.915) 19.280 30.413 ( 4.712 0.000 24.926) 25.368 30.877 ( 18.811 0.000 -3.888) 19.208 30.998 ( 20.338 0.000 -5.942) 21.188 31.283 ( 4.482 0.000 -14.980) 15.636 33.178 ( -12.032 0.000 21.237) 24.409 33.847 ( -10.685 0.000 -11.303) 15.554 35.898 ( -29.822 0.000 22.923) 37.613 36.725 ( -32.538 0.000 -16.806) 36.622 39.146 ( -26.041 0.000 8.093) 27.269 39.473 ( -22.744 0.000 -8.128) 24.153 41.200 ( 30.891 0.000 -0.691) 30.899 41.258 ( 34.931 0.000 -3.979) 35.157 42.934 ( 5.771 0.000 11.397) 12.775 43.379 ( 1.093 0.000 -9.887) 9.948 ======================= Grid point 399 (124/180) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( 0.988 0.000 22.957) 22.978 4.047 ( 11.810 0.000 2.655) 12.105 4.459 ( -2.720 0.000 -10.949) 11.282 4.669 ( -17.426 0.000 -11.666) 20.970 5.209 ( 5.246 0.000 -8.644) 10.112 5.319 ( 25.467 0.000 -8.895) 26.975 6.935 ( -6.405 0.000 17.498) 18.633 7.355 ( -0.073 0.000 13.913) 13.913 7.859 ( 13.668 0.000 7.148) 15.425 8.749 ( 7.504 0.000 -17.249) 18.810 9.573 ( -2.020 0.000 5.626) 5.978 9.576 ( -9.435 0.000 7.024) 11.762 13.802 ( 9.686 0.000 1.712) 9.836 13.990 ( 18.438 0.000 -6.282) 19.479 16.320 ( -21.215 0.000 12.852) 24.804 16.743 ( -8.917 0.000 -9.600) 13.103 18.439 ( 40.791 0.000 -5.219) 41.123 18.512 ( 37.576 0.000 -7.718) 38.360 20.978 ( -9.626 0.000 14.029) 17.014 21.545 ( -16.388 0.000 -13.761) 21.399 29.524 ( 3.487 0.000 25.218) 25.458 30.489 ( 2.031 0.000 29.455) 29.525 30.502 ( 9.906 0.000 -20.933) 23.159 31.224 ( 11.216 0.000 -1.633) 11.335 31.333 ( 11.895 0.000 0.141) 11.896 31.453 ( 15.063 0.000 -13.718) 20.374 32.889 ( -16.040 0.000 22.289) 27.460 33.583 ( -15.243 0.000 -12.222) 19.538 35.589 ( 0.665 0.000 11.332) 11.351 36.196 ( -17.578 0.000 -14.996) 23.105 38.512 ( -35.045 0.000 8.933) 36.166 38.897 ( -32.575 0.000 -10.120) 34.111 41.810 ( 28.031 0.000 0.925) 28.046 41.929 ( 29.922 0.000 -5.039) 30.343 43.022 ( 2.493 0.000 8.644) 8.996 43.369 ( -2.217 0.000 -7.878) 8.184 ======================= Grid point 400 (125/180) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 7.234 0.000 14.791) 16.465 4.199 ( 3.907 0.000 -16.268) 16.731 4.298 ( -18.491 0.000 -7.623) 20.001 4.388 ( -4.046 0.000 -11.977) 12.642 5.463 ( 18.694 0.000 4.197) 19.159 5.856 ( 26.667 0.000 -10.401) 28.624 6.716 ( -14.848 0.000 14.847) 20.997 7.193 ( -13.587 0.000 -4.725) 14.386 8.240 ( 21.103 0.000 19.873) 28.988 8.938 ( 10.624 0.000 -9.518) 14.264 9.347 ( -13.142 0.000 10.942) 17.100 9.501 ( -5.235 0.000 2.237) 5.693 14.112 ( 20.346 0.000 6.400) 21.329 14.472 ( 28.023 0.000 -10.084) 29.782 15.804 ( -28.478 0.000 14.730) 32.062 16.354 ( -26.071 0.000 -11.842) 28.634 19.233 ( 36.256 0.000 -2.994) 36.379 19.326 ( 39.462 0.000 -7.918) 40.248 20.739 ( -14.150 0.000 9.213) 16.885 21.163 ( -21.213 0.000 -11.750) 24.250 29.656 ( 9.465 0.000 29.402) 30.888 30.444 ( -7.435 0.000 32.858) 33.689 30.724 ( 11.810 0.000 -21.243) 24.305 31.307 ( -1.312 0.000 -8.443) 8.544 31.538 ( 10.590 0.000 10.088) 14.625 31.865 ( 22.694 0.000 -9.209) 24.492 32.540 ( -18.086 0.000 21.998) 28.478 33.229 ( -19.454 0.000 -12.703) 23.234 35.892 ( 26.855 0.000 -3.458) 27.077 36.063 ( 5.035 0.000 -8.518) 9.895 37.761 ( -37.960 0.000 8.297) 38.856 38.179 ( -37.619 0.000 -12.414) 39.614 42.317 ( 21.566 0.000 2.091) 21.667 42.461 ( 22.445 0.000 -4.836) 22.960 43.024 ( -2.470 0.000 6.226) 6.698 43.284 ( -6.183 0.000 -6.086) 8.676 ======================= Grid point 401 (126/180) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.627 ( 13.009 0.000 5.808) 14.246 3.935 ( -16.892 0.000 -1.940) 17.003 4.253 ( 2.240 0.000 -21.013) 21.132 4.309 ( -3.424 0.000 -17.692) 18.020 5.900 ( 22.819 0.000 10.987) 25.326 6.349 ( -20.657 0.000 13.268) 24.551 6.382 ( 24.664 0.000 -10.401) 26.767 6.843 ( -20.344 0.000 -9.095) 22.285 8.664 ( 20.031 0.000 18.625) 27.352 9.041 ( -16.891 0.000 14.992) 22.584 9.160 ( 10.738 0.000 -4.317) 11.574 9.359 ( -8.570 0.000 -0.792) 8.606 14.605 ( 27.451 0.000 10.654) 29.445 15.093 ( 32.346 0.000 -12.193) 34.568 15.199 ( -30.268 0.000 13.608) 33.186 15.754 ( -31.862 0.000 -12.666) 34.288 19.892 ( 28.425 0.000 0.492) 28.429 20.068 ( 33.258 0.000 -8.607) 34.353 20.389 ( -20.592 0.000 4.574) 21.093 20.677 ( -26.780 0.000 -9.899) 28.551 29.901 ( 14.163 0.000 32.316) 35.283 30.204 ( -14.715 0.000 33.709) 36.781 30.972 ( 12.261 0.000 -18.719) 22.377 31.197 ( -9.006 0.000 -13.955) 16.609 31.809 ( 15.964 0.000 16.753) 23.142 32.165 ( -18.448 0.000 20.250) 27.393 32.336 ( 23.274 0.000 -10.298) 25.450 32.802 ( -22.302 0.000 -11.966) 25.309 36.380 ( 24.757 0.000 -0.429) 24.761 36.577 ( 38.281 0.000 -11.598) 39.999 37.006 ( -35.279 0.000 5.444) 35.696 37.384 ( -40.126 0.000 -13.625) 42.376 42.684 ( 14.678 0.000 3.106) 15.003 42.848 ( 15.881 0.000 -4.611) 16.537 42.916 ( -8.252 0.000 4.393) 9.348 43.115 ( -10.585 0.000 -4.962) 11.691 ======================= Grid point 407 (127/180) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 0.000 9.813 29.044) 30.657 3.638 ( 0.000 10.224 29.531) 31.251 4.306 ( 0.000 7.501 -9.063) 11.764 4.561 ( 0.000 3.981 -19.111) 19.521 5.317 ( 0.000 -3.415 -6.251) 7.123 5.618 ( 0.000 10.260 -17.722) 20.478 6.736 ( 0.000 -0.973 37.230) 37.243 6.853 ( 0.000 3.009 36.051) 36.177 7.726 ( 0.000 -8.196 -17.076) 18.941 8.624 ( 0.000 0.841 -34.839) 34.850 9.517 ( 0.000 -6.312 13.724) 15.106 9.763 ( 0.000 -7.835 1.426) 7.964 14.173 ( 0.000 13.508 -1.037) 13.547 14.338 ( 0.000 -1.147 -7.190) 7.281 14.732 ( 0.000 -0.857 24.441) 24.456 15.917 ( 0.000 -2.611 -32.662) 32.766 17.746 ( 0.000 29.495 10.717) 31.382 18.170 ( 0.000 11.089 -6.989) 13.107 21.215 ( 0.000 -6.170 22.067) 22.913 22.015 ( 0.000 -5.742 -16.948) 17.894 29.783 ( 0.000 -2.344 19.197) 19.340 29.942 ( 0.000 -4.638 5.104) 6.897 30.460 ( 0.000 4.595 -18.625) 19.183 30.530 ( 0.000 1.979 14.033) 14.172 30.549 ( 0.000 26.180 -12.852) 29.164 31.285 ( 0.000 8.565 -15.105) 17.365 33.386 ( 0.000 -4.144 20.996) 21.401 34.063 ( 0.000 -0.924 -11.563) 11.600 37.164 ( 0.000 -1.822 17.917) 18.009 37.807 ( 0.000 -1.097 -13.329) 13.374 38.921 ( 0.000 -35.280 8.892) 36.383 39.236 ( 0.000 -24.801 -7.435) 25.892 40.818 ( 0.000 21.423 0.417) 21.427 40.871 ( 0.000 27.842 -2.521) 27.956 42.707 ( 0.000 -4.407 15.010) 15.644 43.267 ( 0.000 -4.431 -11.971) 12.765 ======================= Grid point 408 (128/180) ======================= q-point: ( 0.09 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( 0.527 7.078 28.578) 29.446 3.636 ( 3.707 11.967 27.556) 30.270 4.435 ( 10.854 4.257 -10.356) 15.595 4.565 ( 0.965 4.368 -17.158) 17.731 5.245 ( -6.608 -2.461 -7.288) 10.141 5.500 ( -10.207 8.598 -15.410) 20.386 6.828 ( 6.285 -4.377 26.153) 27.251 6.955 ( 10.665 7.234 42.252) 44.174 7.706 ( -1.769 -8.274 -16.593) 18.626 8.629 ( 0.691 1.171 -32.068) 32.097 9.526 ( 0.793 -5.819 12.240) 13.576 9.741 ( -2.178 -7.305 2.011) 7.884 13.924 ( -16.521 1.561 3.020) 16.867 14.010 ( -11.675 11.644 -3.848) 16.933 15.491 ( 48.244 -4.574 10.890) 49.669 16.275 ( 28.957 0.643 -25.466) 38.567 17.732 ( 0.180 28.916 8.356) 30.100 18.120 ( -4.349 9.979 -6.855) 12.864 21.183 ( -3.057 -5.728 21.019) 21.999 21.956 ( -5.786 -5.410 -16.605) 18.397 29.674 ( -6.628 3.051 18.032) 19.452 30.038 ( 6.610 -7.720 2.957) 10.585 30.495 ( 1.987 4.225 6.227) 7.783 30.624 ( 9.739 7.955 1.055) 12.619 30.701 ( 13.140 12.899 -18.093) 25.815 31.327 ( 4.650 11.267 -15.768) 19.930 33.323 ( -6.230 -4.104 21.191) 22.466 34.010 ( -5.220 -0.526 -11.973) 13.072 36.628 ( -40.633 -3.562 22.108) 46.395 37.381 ( -33.611 -3.707 -15.088) 37.028 39.142 ( 8.603 -26.317 7.176) 28.602 39.428 ( 9.135 -20.860 -7.092) 23.852 40.896 ( 10.626 18.565 0.560) 21.398 40.958 ( 11.054 22.795 -2.681) 25.476 42.776 ( 6.080 -3.486 13.360) 15.087 43.292 ( 2.093 -4.540 -11.295) 12.352 ======================= Grid point 409 (129/180) ======================= q-point: ( 0.18 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( -3.369 7.659 27.828) 29.059 3.841 ( 13.896 8.402 20.292) 25.990 4.515 ( -1.598 1.593 -14.644) 14.817 4.756 ( 12.661 -0.907 -12.320) 17.689 5.089 ( -6.000 2.556 -8.461) 10.683 5.281 ( -8.934 4.604 -13.331) 16.695 6.912 ( 1.203 -6.152 19.388) 20.377 7.239 ( 13.848 7.173 36.614) 39.797 7.679 ( 0.994 -6.898 -12.162) 14.018 8.668 ( 3.578 2.196 -24.739) 25.093 9.542 ( 0.515 -4.723 8.837) 10.033 9.671 ( -4.720 -5.571 3.813) 8.238 13.792 ( 1.943 4.882 -0.309) 5.264 13.850 ( -1.119 8.835 -3.671) 9.633 16.339 ( 25.664 -6.315 10.665) 28.500 16.798 ( 17.869 10.327 -12.600) 24.181 17.899 ( 18.712 21.405 -2.227) 28.518 18.082 ( 7.235 6.286 -6.837) 11.773 21.093 ( -5.797 -4.582 18.092) 19.542 21.785 ( -10.827 -4.333 -15.583) 19.463 29.575 ( -2.735 5.268 20.878) 21.705 30.197 ( 9.215 -7.108 -3.199) 12.070 30.535 ( 2.130 5.357 16.625) 17.596 30.892 ( 13.776 -1.369 -2.601) 14.086 30.982 ( 14.431 4.854 -10.976) 18.770 31.489 ( 10.598 16.832 -17.243) 26.324 33.137 ( -11.892 -3.906 21.974) 25.289 33.854 ( -10.156 0.610 -13.029) 16.531 35.870 ( -28.808 -2.616 22.177) 36.449 36.678 ( -32.312 -4.390 -16.684) 36.629 39.016 ( -19.576 -11.374 8.464) 24.171 39.360 ( -15.686 -10.015 -8.433) 20.432 41.295 ( 25.999 8.493 0.480) 27.355 41.366 ( 27.052 9.301 -2.937) 28.757 42.913 ( 6.453 -2.003 10.076) 12.132 43.330 ( 1.147 -4.570 -9.588) 10.683 ======================= Grid point 410 (130/180) ======================= q-point: ( 0.27 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( 0.447 7.100 23.448) 24.503 4.120 ( 11.601 6.689 4.084) 14.000 4.451 ( -4.902 -0.491 -7.416) 8.903 4.701 ( -12.669 2.531 -14.519) 19.435 5.156 ( 4.097 -3.634 -7.876) 9.593 5.336 ( 19.288 0.885 -10.154) 21.816 6.851 ( -7.483 -8.105 15.770) 19.245 7.328 ( -5.530 -4.406 3.164) 7.747 7.884 ( 18.535 3.881 15.856) 24.699 8.784 ( 7.796 3.204 -15.480) 17.626 9.529 ( -3.967 -3.571 5.695) 7.806 9.556 ( -4.770 -2.238 6.005) 7.989 13.889 ( 9.459 8.008 1.214) 12.452 14.065 ( 19.317 6.950 -6.355) 21.490 16.353 ( -16.824 3.881 15.555) 23.240 16.901 ( -10.499 13.293 -12.315) 20.943 18.392 ( 33.917 -1.073 1.180) 33.954 18.665 ( 39.509 11.519 -12.727) 43.077 20.945 ( -8.978 -3.219 13.939) 16.890 21.521 ( -15.119 -2.350 -14.056) 20.777 29.571 ( 2.508 4.346 24.763) 25.267 30.409 ( 11.272 -4.763 -6.463) 13.839 30.564 ( -0.068 2.754 19.822) 20.012 31.090 ( 7.078 -8.191 -3.796) 11.472 31.335 ( 18.374 3.327 -1.156) 18.709 31.688 ( 7.996 14.655 -14.163) 21.892 32.851 ( -15.778 -3.445 22.812) 27.950 33.592 ( -15.674 1.003 -13.332) 20.602 35.590 ( 2.470 0.158 10.104) 10.402 36.163 ( -16.571 -3.065 -14.544) 22.261 38.461 ( -32.813 -4.527 9.812) 34.547 38.881 ( -29.540 -1.729 -10.787) 31.495 41.840 ( 26.011 2.513 1.441) 26.172 41.938 ( 27.173 1.183 -2.963) 27.360 43.013 ( 3.007 -0.923 6.817) 7.508 43.324 ( -1.923 -4.197 -7.566) 8.863 ======================= Grid point 411 (131/180) ======================= q-point: ( 0.36 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( 6.313 5.614 15.886) 17.993 4.221 ( -7.559 0.824 -11.457) 13.751 4.319 ( -2.400 4.813 -6.617) 8.527 4.482 ( -7.083 7.119 -16.393) 19.224 5.363 ( 16.442 -9.093 4.944) 19.428 5.796 ( 23.608 -5.756 -9.880) 26.231 6.615 ( -15.121 -9.647 12.743) 22.002 7.112 ( -14.544 -8.185 -8.054) 18.531 8.305 ( 21.244 6.222 21.097) 30.579 8.969 ( 9.664 2.761 -6.905) 12.194 9.356 ( -10.544 0.930 8.846) 13.795 9.493 ( -4.019 -0.612 2.187) 4.617 14.194 ( 20.036 7.525 6.464) 22.358 14.565 ( 28.807 8.563 -10.615) 31.873 15.874 ( -27.964 6.731 16.125) 32.974 16.489 ( -26.969 12.224 -13.472) 32.531 19.145 ( 36.778 -4.695 3.383) 37.230 19.460 ( 37.031 9.173 -11.820) 39.939 20.717 ( -13.750 -2.147 9.355) 16.769 21.171 ( -19.334 0.638 -12.587) 23.079 29.681 ( 8.397 2.415 28.312) 29.630 30.459 ( -8.870 1.134 31.659) 32.898 30.675 ( 12.775 -4.505 -17.879) 22.432 31.213 ( 4.097 -6.065 -4.502) 8.593 31.605 ( 7.056 3.630 4.162) 8.960 31.908 ( 16.579 3.665 -8.534) 19.003 32.511 ( -17.231 -2.486 21.351) 27.549 33.225 ( -20.068 -0.166 -12.639) 23.717 35.926 ( 27.980 3.135 -4.746) 28.552 36.053 ( 6.131 -0.899 -7.762) 9.932 37.742 ( -36.855 -1.643 9.456) 38.084 38.205 ( -36.255 2.186 -13.279) 38.672 42.317 ( 20.483 -0.217 2.618) 20.651 42.431 ( 20.912 -2.344 -2.041) 21.142 43.027 ( -1.698 0.052 3.738) 4.106 43.248 ( -5.618 -3.351 -5.981) 8.864 ======================= Grid point 412 (132/180) ======================= q-point: ( 0.45 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.663 ( 11.789 3.609 7.393) 14.376 3.941 ( -14.985 1.108 -0.070) 15.026 4.336 ( 1.532 7.485 -20.885) 22.238 4.383 ( -3.314 6.803 -19.235) 20.670 5.765 ( 21.533 -12.391 12.496) 27.809 6.146 ( -6.351 -15.036 10.313) 19.307 6.376 ( 8.922 -4.790 -8.360) 13.132 6.760 ( -19.664 -8.224 -11.406) 24.175 8.715 ( 18.738 4.767 18.718) 26.910 9.041 ( -10.904 0.583 13.830) 17.621 9.224 ( 5.541 5.397 -3.025) 8.306 9.379 ( -7.124 1.880 -0.821) 7.413 14.681 ( 27.259 7.109 11.208) 30.318 15.200 ( 31.961 9.704 -12.603) 35.700 15.274 ( -29.196 7.112 14.005) 33.153 15.874 ( -32.516 10.972 -13.925) 37.035 19.822 ( 29.088 -4.949 5.477) 30.010 20.118 ( 22.597 2.492 -5.145) 23.309 20.396 ( -13.198 1.602 0.487) 13.304 20.732 ( -23.839 4.654 -12.130) 27.150 29.907 ( 13.454 0.655 31.022) 33.821 30.203 ( -14.809 -0.185 32.385) 35.611 30.945 ( 13.170 -2.612 -18.138) 22.567 31.175 ( -8.070 -1.951 -14.102) 16.364 31.791 ( 13.288 -1.981 16.027) 20.913 32.100 ( -13.470 -5.465 20.210) 24.894 32.365 ( 17.496 2.330 -9.102) 19.859 32.794 ( -21.868 -0.396 -11.673) 24.791 36.381 ( 24.986 0.146 0.627) 24.994 36.625 ( 38.416 4.443 -12.652) 40.689 37.004 ( -34.718 -0.125 6.586) 35.337 37.429 ( -39.580 3.998 -14.572) 42.366 42.662 ( 13.169 -2.222 4.202) 14.001 42.762 ( 8.855 -5.621 2.505) 10.783 42.965 ( -1.524 2.243 -2.341) 3.582 43.097 ( -9.078 -1.633 -5.553) 10.767 ======================= Grid point 418 (133/180) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.720 ( 0.000 14.195 25.773) 29.424 3.910 ( 0.000 14.743 23.800) 27.996 4.510 ( 0.000 11.483 -9.840) 15.122 4.657 ( 0.000 4.713 -13.793) 14.576 5.312 ( 0.000 3.426 -1.227) 3.639 5.856 ( 0.000 12.740 -20.537) 24.167 6.610 ( 0.000 -9.449 24.554) 26.309 7.047 ( 0.000 14.127 42.185) 44.487 7.495 ( 0.000 -13.554 -16.595) 21.426 8.647 ( 0.000 1.474 -32.118) 32.152 9.318 ( 0.000 -13.224 12.367) 18.105 9.539 ( 0.000 -13.116 1.634) 13.218 14.299 ( 0.000 0.920 5.512) 5.589 14.565 ( 0.000 19.755 -8.865) 21.653 14.702 ( 0.000 -2.099 22.887) 22.983 15.837 ( 0.000 -5.104 -31.706) 32.114 18.406 ( 0.000 26.525 3.368) 26.738 18.624 ( 0.000 37.875 -7.732) 38.657 21.019 ( 0.000 -12.978 22.112) 25.639 21.832 ( 0.000 -12.183 -17.544) 21.359 29.780 ( 0.000 0.878 27.146) 27.161 29.840 ( 0.000 -4.714 11.408) 12.344 30.559 ( 0.000 4.370 -21.441) 21.882 30.570 ( 0.000 1.542 6.470) 6.652 31.111 ( 0.000 26.381 -7.102) 27.320 31.663 ( 0.000 29.040 -18.897) 34.647 33.262 ( 0.000 -7.890 22.268) 23.625 34.018 ( 0.000 -3.918 -14.332) 14.858 37.116 ( 0.000 -2.593 18.406) 18.588 37.774 ( 0.000 -1.915 -13.924) 14.055 38.208 ( 0.000 -31.898 13.259) 34.544 38.686 ( 0.000 -26.367 -11.200) 28.647 41.248 ( 0.000 19.315 4.252) 19.778 41.437 ( 0.000 25.600 -5.443) 26.172 42.576 ( 0.000 -8.063 14.954) 16.990 43.133 ( 0.000 -8.482 -11.925) 14.634 ======================= Grid point 419 (134/180) ======================= q-point: ( 0.09 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( -0.241 14.066 24.856) 28.561 3.916 ( 2.274 14.196 24.642) 28.530 4.559 ( 3.383 7.199 -12.506) 14.821 4.665 ( 1.357 4.899 -10.254) 11.445 5.258 ( -4.481 4.087 -4.519) 7.563 5.696 ( -13.352 10.434 -16.029) 23.326 6.681 ( 4.697 -9.422 19.573) 22.225 7.182 ( 11.438 13.349 38.986) 42.766 7.475 ( -0.990 -12.672 -15.298) 19.889 8.660 ( 1.600 1.896 -28.328) 28.437 9.345 ( 2.389 -11.902 10.487) 16.042 9.536 ( -0.337 -11.832 2.128) 12.027 13.973 ( -12.793 3.103 7.041) 14.929 14.304 ( -15.709 15.232 -9.662) 23.920 15.404 ( 45.121 -3.676 17.083) 48.387 16.280 ( 34.943 -0.006 -25.350) 43.170 18.353 ( -4.429 22.943 2.687) 23.521 18.560 ( -5.558 38.048 -8.200) 39.316 21.002 ( -1.628 -11.870 20.820) 24.022 21.784 ( -4.645 -11.355 -17.150) 21.086 29.751 ( -2.206 3.628 24.817) 25.178 29.904 ( 5.719 -5.418 10.291) 12.960 30.555 ( 1.911 3.148 0.240) 3.690 30.666 ( 6.384 -0.397 -8.761) 10.847 31.140 ( 3.094 23.989 -6.223) 24.975 31.737 ( 6.834 27.628 -20.341) 34.982 33.201 ( -5.941 -7.619 22.546) 24.529 33.981 ( -3.586 -2.607 -15.428) 16.052 36.530 ( -40.970 -5.605 21.367) 46.546 37.270 ( -36.245 -6.867 -15.270) 39.926 38.594 ( 20.768 -24.821 10.342) 33.976 38.992 ( 16.512 -19.668 -9.460) 27.368 41.272 ( 4.048 16.571 4.300) 17.592 41.437 ( 2.319 22.347 -3.745) 22.777 42.676 ( 8.381 -6.029 11.716) 15.616 43.158 ( 2.114 -8.314 -10.942) 13.904 ======================= Grid point 420 (135/180) ======================= q-point: ( 0.18 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( -3.539 14.801 25.302) 29.526 4.048 ( 10.203 10.454 21.459) 25.959 4.562 ( -3.140 2.818 -10.500) 11.316 4.744 ( 4.485 0.496 -9.771) 10.763 5.181 ( -1.671 5.859 -11.776) 13.259 5.402 ( -13.577 7.154 -12.713) 19.929 6.724 ( -1.510 -12.005 14.586) 18.951 7.285 ( -4.372 -9.341 -0.014) 10.313 7.632 ( 18.231 8.839 19.334) 28.006 8.727 ( 5.181 3.344 -19.507) 20.458 9.400 ( 2.724 -8.943 6.868) 11.600 9.523 ( -1.036 -8.189 3.362) 8.913 13.917 ( 6.627 6.830 1.107) 9.580 14.083 ( -4.241 12.421 -7.444) 15.090 16.256 ( 32.369 -2.556 18.123) 37.185 16.963 ( 26.749 6.164 -16.253) 31.901 18.272 ( -2.864 13.188 1.991) 13.641 18.514 ( 7.507 34.662 -12.466) 37.593 20.950 ( -3.683 -9.285 17.605) 20.241 21.649 ( -8.429 -8.867 -16.096) 20.218 29.706 ( -1.941 6.589 23.342) 24.331 30.064 ( 9.858 -5.699 5.150) 12.497 30.610 ( 2.433 2.841 13.343) 13.858 30.803 ( 6.714 -5.086 -9.901) 12.999 31.254 ( 8.518 18.346 -3.171) 20.475 31.894 ( 6.825 20.913 -20.490) 30.064 33.025 ( -11.149 -6.694 23.429) 26.796 33.871 ( -7.645 1.145 -18.059) 19.644 35.801 ( -26.112 -3.758 20.237) 33.249 36.555 ( -31.289 -7.068 -16.064) 35.875 38.736 ( -8.065 -14.486 9.636) 19.176 39.118 ( -4.923 -12.115 -8.798) 15.761 41.477 ( 16.132 7.666 4.190) 18.345 41.616 ( 15.662 14.403 -2.032) 21.375 42.855 ( 8.137 -3.588 6.770) 11.177 43.200 ( 1.606 -7.673 -8.817) 11.798 ======================= Grid point 421 (136/180) ======================= q-point: ( 0.27 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( -1.303 13.572 23.507) 27.175 4.291 ( 12.216 8.520 10.675) 18.324 4.451 ( -7.505 0.816 -2.291) 7.889 4.751 ( -3.874 2.124 -16.419) 17.003 5.116 ( -5.732 0.974 -10.434) 11.945 5.344 ( 10.202 -0.062 -12.237) 15.932 6.601 ( -10.430 -15.917 11.039) 22.000 7.120 ( -10.920 -15.395 -10.141) 21.426 8.057 ( 21.884 12.380 24.183) 34.885 8.868 ( 8.336 4.552 -9.613) 13.514 9.437 ( 0.106 -5.079 3.712) 6.291 9.496 ( -1.152 -3.225 4.499) 5.654 14.099 ( 9.458 11.280 -0.127) 14.721 14.251 ( 21.221 10.290 -6.956) 24.589 16.481 ( -9.602 7.708 19.547) 23.102 17.198 ( -6.714 13.671 -15.381) 21.646 18.424 ( 23.275 4.196 9.379) 25.443 18.973 ( 33.171 18.343 -17.734) 41.848 20.843 ( -7.079 -6.603 13.750) 16.816 21.447 ( -11.440 -4.817 -14.914) 19.404 29.690 ( 0.825 6.745 23.868) 24.817 30.293 ( 12.225 -6.324 -2.095) 13.923 30.615 ( -2.738 2.172 22.792) 23.059 30.941 ( 7.273 -6.187 -7.225) 11.974 31.478 ( 12.510 10.178 -1.249) 16.175 31.958 ( -0.585 10.408 -14.804) 18.106 32.760 ( -14.646 -5.156 23.658) 28.299 33.634 ( -16.234 3.246 -16.819) 23.600 35.599 ( 7.164 0.860 6.943) 10.013 36.081 ( -13.731 -4.427 -13.121) 19.502 38.344 ( -27.623 -6.363 11.553) 30.610 38.824 ( -22.575 -3.636 -11.701) 25.686 41.872 ( 20.990 -0.151 4.930) 21.561 42.012 ( 21.124 6.427 -1.061) 22.106 42.980 ( 3.927 -2.523 2.930) 5.511 43.210 ( -0.812 -6.290 -6.846) 9.333 ======================= Grid point 422 (137/180) ======================= q-point: ( 0.36 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( 3.767 10.874 18.031) 21.390 4.244 ( -11.608 2.056 -1.128) 11.843 4.493 ( 5.344 10.795 -7.074) 13.969 4.644 ( -5.206 8.086 -18.827) 21.141 5.134 ( 8.922 -11.471 3.324) 14.907 5.630 ( 15.442 -9.892 -8.019) 20.015 6.329 ( -14.989 -17.504 6.556) 23.959 6.850 ( -15.436 -16.860 -13.374) 26.484 8.486 ( 19.808 10.825 21.696) 31.309 9.038 ( 7.246 3.499 0.513) 8.063 9.388 ( -3.942 2.144 2.841) 5.311 9.482 ( -1.062 -0.276 1.986) 2.268 14.395 ( 19.585 11.113 6.408) 23.413 14.793 ( 30.682 12.551 -12.081) 35.283 16.066 ( -27.247 11.114 18.681) 34.855 16.802 ( -27.835 16.546 -16.548) 36.364 19.070 ( 34.767 -2.514 12.927) 37.178 19.673 ( 32.776 11.319 -14.686) 37.657 20.651 ( -11.905 -4.254 9.370) 15.736 21.182 ( -14.703 0.292 -14.582) 20.709 29.755 ( 5.852 4.630 25.594) 26.660 30.439 ( -7.742 -5.001 21.677) 23.555 30.595 ( 10.956 -0.882 -4.692) 11.951 31.101 ( 7.353 -4.748 -5.087) 10.124 31.658 ( 1.824 1.393 0.127) 2.299 31.975 ( 6.350 2.297 -2.111) 7.075 32.452 ( -14.290 -3.138 17.488) 22.801 33.241 ( -21.233 2.129 -13.393) 25.194 35.996 ( 21.352 1.600 -5.759) 22.173 36.050 ( 17.914 2.557 -7.764) 19.691 37.701 ( -34.199 -2.235 11.892) 36.276 38.253 ( -32.614 2.092 -14.911) 35.922 42.278 ( 18.143 -3.917 5.962) 19.495 42.412 ( 17.187 1.327 1.060) 17.270 43.011 ( -0.768 -2.262 -0.493) 2.439 43.164 ( -3.753 -4.024 -5.981) 8.127 ======================= Grid point 423 (138/180) ======================= q-point: ( 0.45 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( 8.895 7.611 10.951) 16.030 3.996 ( -12.026 4.397 4.423) 13.547 4.539 ( 0.768 11.786 -21.100) 24.181 4.566 ( -2.381 10.394 -20.824) 23.396 5.432 ( 18.116 -18.677 14.630) 29.850 5.769 ( -9.830 -20.695 14.589) 27.161 6.186 ( 9.074 -12.955 -15.229) 21.957 6.507 ( -17.804 -15.903 -15.802) 28.628 8.846 ( 15.139 7.340 18.634) 25.105 9.074 ( -5.847 2.468 14.376) 15.714 9.355 ( 2.509 6.758 -3.251) 7.908 9.434 ( -3.678 3.324 -1.017) 5.061 14.875 ( 27.053 10.923 12.237) 31.638 15.449 ( 7.202 12.862 -1.518) 14.819 15.479 ( -3.125 12.516 2.482) 13.137 16.163 ( -33.818 15.700 -16.671) 40.842 19.725 ( 28.413 -4.203 14.102) 31.997 20.129 ( -1.466 -1.101 8.848) 9.036 20.475 ( 7.489 5.506 -12.608) 15.664 20.841 ( -19.012 5.370 -16.015) 25.432 29.930 ( 11.198 1.623 27.444) 29.685 30.191 ( -13.754 -1.132 28.291) 31.478 30.875 ( 14.358 -3.749 -16.274) 22.024 31.122 ( -7.485 -3.078 -15.883) 17.826 31.714 ( 8.943 -5.609 17.236) 20.212 31.972 ( -12.390 -6.234 24.421) 28.085 32.417 ( 14.582 2.591 -10.546) 18.181 32.804 ( -21.123 1.732 -12.067) 24.389 36.386 ( 25.566 0.344 3.315) 25.782 36.743 ( 37.993 6.478 -14.900) 41.321 37.003 ( -33.104 0.036 8.999) 34.305 37.530 ( -37.836 5.288 -16.626) 41.665 42.583 ( 11.153 -5.407 7.600) 14.539 42.663 ( 5.420 -3.464 6.730) 9.310 42.982 ( -0.035 -0.898 -6.280) 6.344 43.061 ( -5.915 -1.299 -7.020) 9.271 ======================= Grid point 429 (139/180) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.002 ( 0.000 12.332 22.303) 25.485 4.182 ( 0.000 10.021 16.623) 19.410 4.737 ( 0.000 9.440 -10.543) 14.152 4.748 ( 0.000 4.452 -5.952) 7.432 5.467 ( 0.000 11.354 2.406) 11.606 6.141 ( 0.000 14.808 -20.458) 25.255 6.375 ( 0.000 -13.095 21.198) 24.916 7.157 ( 0.000 -15.449 -10.246) 18.537 7.440 ( 0.000 20.335 28.216) 34.780 8.694 ( 0.000 3.443 -26.130) 26.356 8.962 ( 0.000 -21.100 12.912) 24.737 9.257 ( 0.000 -13.503 -0.882) 13.531 14.348 ( 0.000 3.731 12.928) 13.456 14.642 ( 0.000 -3.684 20.917) 21.239 14.963 ( 0.000 17.787 -17.309) 24.819 15.707 ( 0.000 -7.490 -30.178) 31.094 18.959 ( 0.000 28.972 11.750) 31.264 19.504 ( 0.000 43.119 -16.637) 46.217 20.675 ( 0.000 -20.311 21.944) 29.901 21.505 ( 0.000 -19.747 -18.598) 27.126 29.762 ( 0.000 -2.676 17.820) 18.020 29.783 ( 0.000 -0.885 28.757) 28.771 30.595 ( 0.000 1.102 -1.947) 2.237 30.626 ( 0.000 2.015 -21.264) 21.359 31.668 ( 0.000 28.259 6.047) 28.899 32.373 ( 0.000 36.244 -23.534) 43.214 33.054 ( 0.000 -12.549 22.269) 25.562 33.879 ( 0.000 -10.147 -17.513) 20.240 37.075 ( 0.000 -0.834 18.334) 18.353 37.643 ( 0.000 -22.550 14.905) 27.031 37.737 ( 0.000 -1.282 -14.547) 14.603 38.199 ( 0.000 -20.003 -13.323) 24.033 41.605 ( 0.000 15.434 8.047) 17.406 41.916 ( 0.000 21.030 -7.624) 22.369 42.382 ( 0.000 -10.486 14.535) 17.922 42.921 ( 0.000 -11.906 -11.620) 16.637 ======================= Grid point 430 (140/180) ======================= q-point: ( 0.09 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.017 ( 0.999 12.439 20.477) 23.980 4.177 ( 0.087 9.825 18.910) 21.311 4.691 ( -2.391 4.964 -9.255) 10.771 4.788 ( 1.429 7.425 -4.594) 8.847 5.408 ( -4.960 10.090 -2.692) 11.561 5.920 ( -16.003 10.252 -9.778) 21.372 6.461 ( 3.060 -10.685 9.622) 14.701 7.105 ( -5.040 -16.826 -12.403) 21.502 7.589 ( 13.684 19.994 28.371) 37.309 8.704 ( 1.830 1.677 -17.720) 17.893 9.038 ( 6.449 -16.708 6.950) 19.211 9.286 ( 2.622 -11.907 -0.438) 12.200 14.042 ( -9.779 3.314 9.545) 14.061 14.587 ( -19.553 11.482 -16.040) 27.775 15.335 ( 43.284 -3.163 19.470) 47.566 16.279 ( 40.699 -0.073 -25.375) 47.961 18.843 ( -10.588 25.509 12.164) 30.179 19.411 ( -8.310 40.593 -16.833) 44.724 20.696 ( 1.618 -17.463 20.011) 26.609 21.484 ( -2.026 -17.699 -18.056) 25.365 29.796 ( 1.252 0.234 28.174) 28.203 29.817 ( 5.174 -2.563 16.610) 17.585 30.612 ( 1.852 1.703 -0.515) 2.568 30.656 ( 2.573 0.222 -18.850) 19.026 31.664 ( -0.235 26.503 5.692) 27.108 32.365 ( -1.270 30.380 -22.598) 37.884 33.005 ( -4.815 -11.626 22.856) 26.091 33.890 ( 1.117 -6.388 -20.278) 21.289 36.416 ( -40.602 -4.958 19.728) 45.413 37.117 ( -38.151 -7.200 -15.074) 41.648 38.161 ( 26.613 -16.550 12.960) 33.913 38.654 ( 22.130 -12.624 -11.532) 27.966 41.558 ( -2.660 10.983 9.240) 14.597 41.862 ( -1.716 18.665 -4.763) 19.339 42.540 ( 11.652 -6.826 8.692) 16.060 42.960 ( 3.402 -10.466 -10.268) 15.051 ======================= Grid point 431 (141/180) ======================= q-point: ( 0.18 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( -2.603 14.449 18.858) 23.900 4.231 ( 5.890 6.643 21.274) 23.052 4.630 ( -4.236 4.079 -3.369) 6.778 4.802 ( 0.285 5.076 -5.458) 7.459 5.311 ( -3.723 6.651 -13.992) 15.933 5.580 ( -16.381 9.749 -7.858) 20.618 6.429 ( -6.387 -15.670 4.990) 17.642 6.959 ( -9.204 -18.901 -14.159) 25.346 7.942 ( 19.737 18.081 26.240) 37.483 8.790 ( 6.470 1.671 -6.562) 9.365 9.187 ( 7.650 -10.457 1.458) 13.039 9.354 ( 3.821 -7.963 0.436) 8.843 14.054 ( 10.140 5.914 1.529) 11.838 14.320 ( -5.570 9.714 -11.540) 16.080 16.210 ( 37.948 -2.115 21.660) 43.745 17.066 ( 32.125 3.856 -18.649) 37.346 18.596 ( -11.028 17.181 12.492) 23.934 19.245 ( -4.511 34.083 -19.260) 39.407 20.718 ( -0.046 -12.740 16.659) 20.972 21.424 ( -3.796 -12.548 -16.881) 21.373 29.819 ( 0.821 4.028 25.589) 25.917 29.966 ( 9.036 -3.757 14.303) 17.331 30.649 ( 0.874 -0.427 3.117) 3.265 30.732 ( 5.098 -0.313 -12.349) 13.363 31.670 ( 1.182 20.849 3.587) 21.188 32.291 ( -6.612 16.217 -18.214) 25.268 32.864 ( -8.949 -8.985 24.359) 27.462 33.903 ( -1.666 1.921 -25.859) 25.984 35.727 ( -22.785 -3.077 18.019) 29.212 36.410 ( -29.310 -6.375 -14.822) 33.458 38.458 ( 0.702 -11.628 11.549) 16.404 38.898 ( 1.598 -8.669 -9.473) 12.940 41.595 ( 7.634 3.882 10.213) 13.328 41.927 ( 8.554 15.038 -4.362) 17.842 42.759 ( 8.893 -6.074 3.918) 11.460 43.039 ( 3.897 -7.074 -7.987) 11.358 ======================= Grid point 432 (142/180) ======================= q-point: ( 0.27 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( -2.957 15.347 20.154) 25.504 4.404 ( 10.319 1.792 19.810) 22.408 4.507 ( -7.385 5.069 2.823) 9.392 4.804 ( -0.309 3.154 -14.051) 14.404 5.219 ( -9.755 8.119 -14.658) 19.389 5.345 ( -1.661 0.961 -11.302) 11.464 6.218 ( -13.479 -19.913 2.027) 24.132 6.734 ( -12.823 -20.833 -15.913) 29.183 8.351 ( 19.779 15.112 23.424) 34.180 8.947 ( 8.289 2.111 2.295) 8.856 9.332 ( 6.301 -4.468 -1.521) 7.873 9.429 ( 3.338 -3.230 1.051) 4.763 14.317 ( 10.390 9.126 -1.660) 13.928 14.457 ( 22.813 8.845 -8.310) 25.841 16.629 ( -0.885 5.868 21.718) 22.514 17.428 ( 0.746 8.430 -15.704) 17.839 18.550 ( 11.278 7.274 17.163) 21.787 19.396 ( 20.367 21.315 -22.155) 36.878 20.677 ( -4.310 -9.283 13.998) 17.340 21.328 ( -5.778 -6.296 -16.123) 18.248 29.831 ( 0.684 6.537 23.121) 24.037 30.165 ( 9.803 -5.718 11.091) 15.868 30.633 ( -2.381 -1.089 6.352) 6.870 30.859 ( 7.299 -1.061 -4.292) 8.534 31.715 ( 2.324 11.371 -1.880) 11.758 32.106 ( -9.927 4.641 -9.577) 14.553 32.642 ( -12.843 -6.351 24.470) 28.356 33.724 ( -16.433 5.028 -21.612) 27.611 35.626 ( 12.690 1.566 3.098) 13.157 35.997 ( -9.968 -3.443 -11.073) 15.292 38.215 ( -22.174 -5.754 13.284) 26.481 38.744 ( -15.979 -3.700 -12.047) 20.351 41.850 ( 15.932 -1.508 10.572) 19.180 42.182 ( 15.044 9.442 -3.281) 18.062 42.884 ( 3.419 -7.218 1.413) 8.110 43.103 ( 2.106 -3.311 -6.882) 7.922 ======================= Grid point 433 (143/180) ======================= q-point: ( 0.36 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.911 ( 0.607 13.762 18.737) 23.256 4.318 ( -9.799 5.440 7.854) 13.685 4.659 ( 13.132 0.076 11.660) 17.562 4.788 ( -0.919 5.764 -19.426) 20.284 5.017 ( -7.541 4.885 -11.945) 14.947 5.407 ( 3.943 -11.011 -4.125) 12.402 5.933 ( -12.390 -19.388 -5.593) 23.679 6.445 ( -15.305 -21.453 -17.853) 31.831 8.722 ( 16.241 11.273 20.670) 28.602 9.094 ( 5.282 1.434 9.768) 11.197 9.433 ( 3.519 1.801 -3.815) 5.494 9.484 ( 1.969 0.507 0.816) 2.190 14.615 ( 19.522 9.449 6.036) 22.513 15.041 ( 32.657 10.620 -13.948) 37.065 16.294 ( -26.545 9.986 20.409) 34.941 17.116 ( -26.939 12.819 -18.757) 35.240 19.041 ( 31.161 -0.463 21.884) 38.080 19.918 ( 25.786 12.078 -15.340) 32.344 20.542 ( -8.149 -6.321 8.883) 13.611 21.179 ( -9.214 -0.574 -16.737) 19.114 29.865 ( 3.166 5.793 22.171) 23.132 30.291 ( -0.637 -7.681 17.102) 18.758 30.611 ( 3.822 0.845 -2.589) 4.693 31.026 ( 8.338 -2.138 -3.354) 9.238 31.644 ( -9.640 -2.753 -1.324) 10.112 32.031 ( 1.732 3.909 8.379) 9.407 32.373 ( -10.305 -4.699 11.779) 16.340 33.310 ( -22.306 4.062 -15.633) 27.540 35.991 ( 13.176 -0.663 -2.255) 13.384 36.150 ( 31.042 5.257 -12.005) 33.695 37.654 ( -31.244 -2.194 14.277) 34.421 38.284 ( -28.270 0.956 -16.135) 32.564 42.186 ( 16.045 -4.270 10.859) 19.839 42.476 ( 12.419 4.618 1.017) 13.289 42.911 ( -0.080 -7.026 -1.830) 7.260 43.113 ( -1.328 -1.037 -7.256) 7.449 ======================= Grid point 434 (144/180) ======================= q-point: ( 0.45 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( 5.394 10.744 14.772) 19.046 4.122 ( -8.973 7.682 10.467) 15.783 4.783 ( 0.879 10.291 -21.972) 24.278 4.817 ( -1.075 14.096 -16.504) 21.731 5.042 ( 12.788 -17.937 13.453) 25.812 5.333 ( -12.361 -19.961 14.955) 27.837 5.876 ( 7.980 -16.126 -21.379) 27.942 6.131 ( -15.017 -19.633 -19.980) 31.783 8.996 ( 10.356 6.689 18.269) 22.039 9.129 ( -2.388 2.377 15.503) 15.865 9.484 ( 1.796 5.248 -3.966) 6.819 9.505 ( -0.043 3.274 -1.391) 3.557 15.096 ( 27.158 9.591 12.894) 31.557 15.690 ( -27.348 10.130 16.082) 33.304 15.747 ( 32.457 11.805 -16.199) 38.148 16.470 ( -34.812 12.969 -19.277) 41.853 19.654 ( 27.331 -2.611 21.909) 35.125 20.097 ( -13.539 -1.609 19.077) 23.448 20.590 ( 17.127 5.033 -20.740) 27.365 20.938 ( -14.788 3.819 -19.031) 24.402 29.972 ( 7.426 2.356 22.540) 23.848 30.154 ( -9.647 -2.418 22.876) 24.944 30.807 ( 13.105 -2.522 -15.501) 20.455 31.060 ( -8.430 -2.544 -19.373) 21.280 31.576 ( 7.942 -6.985 24.385) 26.580 31.858 ( -15.916 -4.761 30.155) 34.428 32.468 ( 16.014 2.253 -13.362) 20.978 32.860 ( -21.371 3.203 -14.153) 25.832 36.394 ( 26.025 0.349 6.471) 26.819 36.872 ( 35.018 5.574 -16.195) 38.982 37.003 ( -29.394 -0.050 10.492) 31.211 37.630 ( -35.364 4.083 -18.592) 40.161 42.470 ( 11.303 -4.903 11.176) 16.634 42.610 ( -0.928 -1.873 9.947) 10.164 42.938 ( 4.232 -2.604 -8.986) 10.268 43.047 ( -4.961 -0.344 -8.640) 9.969 ======================= Grid point 440 (145/180) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.206 ( 0.000 7.139 18.335) 19.676 4.284 ( 0.000 0.020 14.660) 14.660 4.843 ( 0.000 3.890 -5.091) 6.406 4.865 ( 0.000 2.457 -9.123) 9.448 5.753 ( 0.000 15.538 8.615) 17.767 6.078 ( 0.000 -15.418 15.938) 22.175 6.463 ( 0.000 16.306 -18.175) 24.417 6.810 ( 0.000 -17.173 -15.477) 23.118 7.930 ( 0.000 25.808 23.682) 35.028 8.471 ( 0.000 -25.769 17.057) 30.903 8.803 ( 0.000 7.344 -17.181) 18.685 8.998 ( 0.000 -11.317 -7.761) 13.723 14.443 ( 0.000 5.230 16.698) 17.498 14.552 ( 0.000 -5.011 18.938) 19.590 15.285 ( 0.000 13.481 -23.864) 27.408 15.526 ( 0.000 -10.075 -27.831) 29.598 19.584 ( 0.000 30.621 17.963) 35.501 20.185 ( 0.000 -26.944 20.948) 34.129 20.337 ( 0.000 36.849 -19.797) 41.830 21.010 ( 0.000 -28.289 -19.729) 34.489 29.734 ( 0.000 -0.065 23.110) 23.110 29.753 ( 0.000 -1.584 26.839) 26.886 30.621 ( 0.000 1.376 -10.033) 10.127 30.642 ( 0.000 -0.371 -17.069) 17.074 32.247 ( 0.000 26.585 14.871) 30.461 32.727 ( 0.000 -19.532 19.924) 27.901 33.067 ( 0.000 29.821 -23.029) 37.678 33.578 ( 0.000 -19.507 -20.494) 28.293 37.106 ( 0.000 4.487 17.258) 17.831 37.280 ( 0.000 -12.744 15.880) 20.361 37.745 ( 0.000 2.769 -14.762) 15.020 37.880 ( 0.000 -10.796 -14.371) 17.975 41.896 ( 0.000 13.033 11.211) 17.191 42.151 ( 0.000 -11.820 13.378) 17.851 42.312 ( 0.000 17.547 -9.449) 19.930 42.645 ( 0.000 -14.764 -10.826) 18.308 ======================= Grid point 441 (146/180) ======================= q-point: ( 0.09 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.212 ( 0.345 6.094 16.299) 17.404 4.286 ( 0.361 0.870 16.090) 16.118 4.775 ( -3.358 2.687 -7.827) 8.931 4.921 ( 2.055 4.021 -3.695) 5.835 5.664 ( -8.051 14.278 4.931) 17.117 5.958 ( -10.572 -9.842 13.487) 19.762 6.404 ( -6.297 8.292 -16.862) 19.818 6.751 ( -5.750 -15.947 -17.062) 24.052 8.045 ( 10.599 23.053 23.564) 34.628 8.526 ( 5.627 -20.316 16.460) 26.745 8.891 ( 7.875 4.756 -14.639) 17.289 9.056 ( 5.414 -10.037 -7.012) 13.388 14.095 ( -8.393 1.441 10.360) 13.411 14.757 ( -22.683 4.475 -21.197) 31.367 15.279 ( 43.444 -1.772 21.781) 48.631 16.278 ( 44.301 -0.020 -25.766) 51.249 19.336 ( -20.115 18.332 19.405) 33.425 20.136 ( -13.385 24.928 -15.370) 32.199 20.336 ( 7.102 -13.138 13.116) 19.876 21.083 ( 5.463 -18.259 -18.542) 26.591 29.772 ( 3.892 -0.785 26.563) 26.858 29.799 ( 4.105 -0.478 22.686) 23.059 30.626 ( 0.189 0.195 -11.887) 11.890 30.672 ( 2.992 0.582 -12.683) 13.044 32.188 ( -5.418 22.036 12.076) 25.706 32.713 ( -1.693 -15.060 22.176) 26.860 32.884 ( -14.646 15.927 -18.732) 28.619 33.735 ( 11.971 -6.829 -26.577) 29.938 36.342 ( -40.050 -1.938 18.154) 44.015 37.004 ( -38.574 -3.101 -14.715) 41.402 37.926 ( 28.652 -5.871 14.682) 32.725 38.479 ( 24.695 -4.286 -12.840) 28.162 41.718 ( -9.384 4.192 13.767) 17.180 42.198 ( -2.019 13.368 -5.208) 14.488 42.402 ( 10.812 -6.824 4.164) 13.447 42.759 ( 8.841 -7.220 -8.878) 14.460 ======================= Grid point 442 (147/180) ======================= q-point: ( 0.18 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.206 ( -1.105 4.599 12.781) 13.628 4.316 ( 2.875 1.747 18.497) 18.800 4.722 ( -1.843 3.350 -6.862) 7.855 4.921 ( -2.432 4.809 4.782) 7.205 5.473 ( -9.314 9.561 -7.098) 15.117 5.701 ( -13.820 -2.967 10.841) 17.813 6.202 ( -13.047 -1.343 -17.183) 21.617 6.581 ( -10.826 -15.299 -19.564) 27.092 8.322 ( 15.627 17.499 22.780) 32.701 8.693 ( 10.201 -11.831 15.967) 22.338 9.085 ( 10.414 2.013 -10.198) 14.715 9.198 ( 8.065 -6.870 -5.788) 12.073 14.142 ( 12.101 2.322 1.394) 12.400 14.461 ( -5.990 3.629 -14.332) 15.952 16.174 ( 40.676 -1.051 23.759) 47.119 17.120 ( 34.839 1.305 -20.709) 40.551 18.899 ( -20.014 9.459 20.367) 30.081 19.829 ( -12.934 19.314 -24.216) 33.567 20.464 ( 4.219 -9.912 16.856) 20.004 21.180 ( 3.553 -8.599 -17.273) 19.620 29.874 ( 4.894 1.632 26.800) 27.293 29.909 ( 6.928 -1.840 20.236) 21.468 30.618 ( -1.041 -1.103 -11.136) 11.239 30.758 ( 5.180 1.147 -6.464) 8.363 32.051 ( -7.437 13.330 4.706) 15.973 32.526 ( -17.845 6.466 -11.457) 22.170 32.666 ( -5.184 -8.928 24.929) 26.982 33.941 ( 4.802 1.287 -32.876) 33.250 35.682 ( -20.368 -1.161 16.615) 26.311 36.314 ( -27.543 -2.503 -13.725) 30.875 38.286 ( 4.911 -4.527 13.210) 14.803 38.774 ( 4.404 -3.096 -10.216) 11.548 41.645 ( 3.089 1.077 14.397) 14.764 42.206 ( 4.358 10.552 -10.804) 15.718 42.602 ( 7.848 -7.722 6.862) 12.973 42.940 ( 8.078 -2.298 -7.797) 11.460 ======================= Grid point 443 (148/180) ======================= q-point: ( 0.27 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.174 ( -1.705 5.904 13.540) 14.869 4.400 ( 5.162 -0.963 17.740) 18.501 4.675 ( -4.328 9.795 4.515) 11.621 4.840 ( -3.544 -0.940 2.735) 4.574 5.331 ( -4.394 3.687 -17.742) 18.646 5.424 ( -12.820 1.260 7.212) 14.763 5.906 ( -15.218 -5.105 -19.611) 25.342 6.322 ( -14.208 -16.283 -21.544) 30.515 8.644 ( 15.341 11.996 21.376) 28.917 8.909 ( 10.252 -5.798 15.518) 19.481 9.290 ( 9.311 0.516 -5.742) 10.951 9.365 ( 7.849 -2.719 -5.358) 9.885 14.451 ( 11.474 3.437 -2.613) 12.260 14.589 ( 23.517 3.473 -9.591) 25.634 16.708 ( 5.882 1.799 22.690) 23.509 17.545 ( 4.682 2.853 -15.738) 16.665 18.678 ( 2.712 3.909 22.863) 23.353 19.774 ( 10.185 12.499 -28.246) 32.523 20.490 ( -1.863 -7.143 17.530) 19.021 21.217 ( -0.148 -3.464 -17.052) 17.401 29.947 ( 2.364 4.430 19.803) 20.429 30.063 ( 7.192 -3.952 23.775) 25.151 30.593 ( -0.930 -1.592 -9.361) 9.541 30.871 ( 5.920 0.958 0.054) 5.997 31.887 ( -10.551 4.231 -5.386) 12.579 32.198 ( -10.731 4.539 -7.790) 14.015 32.505 ( -11.336 -5.868 30.964) 33.492 33.809 ( -16.926 2.501 -24.608) 29.972 35.654 ( 16.215 0.890 0.292) 16.242 35.948 ( -7.056 -1.180 -9.551) 11.933 38.126 ( -18.729 -2.444 14.565) 23.851 38.687 ( -12.393 -1.539 -12.145) 17.421 41.824 ( 13.150 -0.760 13.992) 19.216 42.374 ( 11.153 7.866 -10.241) 17.063 42.713 ( 3.126 -7.565 6.986) 10.761 43.067 ( 4.142 -0.659 -7.969) 9.005 ======================= Grid point 444 (149/180) ======================= q-point: ( 0.36 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.152 ( -0.058 7.509 15.974) 17.651 4.457 ( -4.913 3.856 20.586) 21.513 4.590 ( 2.817 1.989 12.014) 12.499 4.827 ( 1.317 -4.853 -7.013) 8.630 5.193 ( -9.290 2.544 2.779) 10.025 5.273 ( -2.938 2.971 -16.293) 16.820 5.631 ( -10.020 -6.098 -25.571) 28.133 6.023 ( -14.677 -16.690 -22.972) 31.964 8.922 ( 11.621 7.202 19.667) 23.953 9.084 ( 6.503 -2.193 15.497) 16.949 9.453 ( 6.490 0.290 -2.909) 7.118 9.501 ( 5.179 0.709 -4.843) 7.126 14.756 ( 19.677 3.670 5.638) 20.795 15.199 ( 33.864 4.111 -15.289) 37.382 16.443 ( -25.776 3.913 21.035) 33.499 17.300 ( -25.416 4.658 -19.593) 32.428 19.041 ( 27.861 0.203 27.447) 39.111 20.152 ( 20.252 9.694 -18.976) 29.397 20.395 ( -5.352 -7.357 12.180) 15.202 21.166 ( -5.193 -0.511 -18.128) 18.864 29.980 ( 1.301 4.695 16.998) 17.683 30.152 ( 0.627 -5.194 23.473) 24.049 30.614 ( 4.070 -0.193 -11.346) 12.055 31.010 ( 7.546 0.026 0.056) 7.546 31.582 ( -16.216 -2.154 -0.177) 16.359 32.130 ( -7.945 4.969 21.351) 23.317 32.266 ( -1.409 -5.136 1.427) 5.513 33.379 ( -23.137 1.986 -17.491) 29.072 35.982 ( 13.856 -0.207 -0.091) 13.858 36.233 ( 33.009 2.333 -14.563) 36.154 37.618 ( -29.278 -1.020 15.875) 33.321 38.295 ( -25.364 0.191 -16.696) 30.366 42.121 ( 14.938 -1.712 13.601) 20.274 42.595 ( 7.728 6.812 -0.507) 10.314 42.751 ( 2.571 -7.960 -0.387) 8.374 43.103 ( -0.636 -0.167 -8.601) 8.627 ======================= Grid point 445 (150/180) ======================= q-point: ( 0.45 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.185 ( 3.585 8.027 18.031) 20.060 4.300 ( -7.487 8.019 19.430) 22.314 4.727 ( 7.592 -9.504 12.043) 17.118 4.838 ( -2.020 -9.325 3.706) 10.236 5.075 ( -0.904 8.343 -10.813) 13.688 5.160 ( -7.260 7.693 -14.350) 17.827 5.575 ( 4.314 -10.684 -27.901) 30.186 5.749 ( -11.713 -14.957 -24.698) 31.159 9.103 ( 5.938 3.278 17.899) 19.141 9.158 ( 0.563 0.341 16.359) 16.372 9.549 ( 2.884 1.329 -2.519) 4.053 9.567 ( 1.197 1.965 -3.610) 4.281 15.240 ( 27.362 3.785 13.073) 30.560 15.842 ( -30.771 4.002 18.082) 35.914 15.923 ( 36.390 4.572 -19.210) 41.402 16.661 ( -35.206 4.939 -20.765) 41.171 19.618 ( 26.494 -0.871 26.579) 37.538 20.072 ( -17.558 -0.672 24.000) 29.745 20.665 ( 19.703 1.968 -24.004) 31.117 20.992 ( -12.175 1.331 -20.562) 23.934 30.020 ( 3.055 2.021 17.650) 18.026 30.101 ( -4.344 -2.215 20.584) 21.154 30.774 ( 11.269 -0.731 -17.272) 20.636 31.025 ( -10.231 -0.830 -23.201) 25.370 31.464 ( 9.379 -3.105 32.611) 34.075 31.785 ( -18.785 -1.989 35.174) 39.925 32.504 ( 17.615 0.998 -15.486) 23.475 32.914 ( -22.062 1.524 -16.070) 27.337 36.399 ( 26.153 0.143 8.616) 27.536 36.959 ( 28.979 2.705 -15.261) 32.863 36.998 ( -23.112 -0.582 9.730) 25.083 37.689 ( -33.513 1.497 -19.735) 38.921 42.397 ( 11.742 -1.876 13.105) 17.696 42.584 ( -6.281 -0.618 12.344) 13.864 42.896 ( 8.765 -1.198 -10.793) 13.955 43.042 ( -5.258 -0.146 -9.578) 10.928 ======================= Grid point 495 (151/180) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.895 ( 0.000 0.000 -22.015) 22.015 3.895 ( 0.000 0.000 22.015) 22.015 4.087 ( 0.000 0.000 -23.187) 23.187 4.087 ( 0.000 0.000 23.187) 23.187 5.294 ( 0.000 0.000 -0.242) 0.242 5.294 ( 0.000 0.000 0.242) 0.242 7.322 ( 0.000 0.000 -16.236) 16.236 7.322 ( 0.000 0.000 16.236) 16.236 7.799 ( 0.000 0.000 -40.106) 40.106 7.799 ( 0.000 0.000 40.106) 40.106 9.794 ( 0.000 0.000 -6.349) 6.349 9.794 ( 0.000 0.000 6.349) 6.349 14.122 ( 0.000 0.000 -8.681) 8.681 14.122 ( 0.000 0.000 8.681) 8.681 15.301 ( 0.000 0.000 -29.618) 29.618 15.301 ( 0.000 0.000 29.618) 29.618 17.794 ( 0.000 0.000 -16.067) 16.067 17.794 ( 0.000 0.000 16.067) 16.067 21.702 ( 0.000 0.000 -19.474) 19.474 21.702 ( 0.000 0.000 19.474) 19.474 30.052 ( 0.000 0.000 -7.837) 7.837 30.052 ( 0.000 0.000 7.837) 7.837 30.126 ( 0.000 0.000 -10.230) 10.230 30.126 ( 0.000 0.000 10.230) 10.230 30.861 ( 0.000 0.000 -18.258) 18.258 30.861 ( 0.000 0.000 18.258) 18.258 33.801 ( 0.000 0.000 -15.844) 15.844 33.801 ( 0.000 0.000 15.844) 15.844 37.525 ( 0.000 0.000 -15.563) 15.563 37.525 ( 0.000 0.000 15.563) 15.563 39.486 ( 0.000 0.000 -0.935) 0.935 39.486 ( 0.000 0.000 0.935) 0.935 40.489 ( 0.000 0.000 -1.189) 1.189 40.489 ( 0.000 0.000 1.189) 1.189 43.049 ( 0.000 0.000 -13.798) 13.798 43.049 ( 0.000 0.000 13.798) 13.798 ======================= Grid point 497 (152/180) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.872 ( -1.748 0.000 -1.654) 2.407 3.872 ( -1.748 0.000 1.654) 2.407 4.205 ( 10.598 0.000 -2.967) 11.006 4.205 ( 10.598 0.000 2.967) 11.006 5.206 ( -8.024 0.000 -1.049) 8.092 5.206 ( -8.024 0.000 1.049) 8.092 7.368 ( 3.358 0.000 -19.463) 19.751 7.368 ( 3.358 0.000 19.463) 19.751 7.831 ( 3.741 0.000 -41.787) 41.954 7.831 ( 3.741 0.000 41.787) 41.954 9.780 ( -1.416 0.000 -5.685) 5.859 9.780 ( -1.416 0.000 5.685) 5.859 13.888 ( -14.136 0.000 -1.845) 14.256 13.888 ( -14.136 0.000 1.845) 14.256 15.805 ( 38.945 0.000 -18.633) 43.173 15.805 ( 38.945 0.000 18.633) 43.173 17.760 ( -2.449 0.000 -15.524) 15.716 17.760 ( -2.449 0.000 15.524) 15.716 21.650 ( -5.119 0.000 -18.814) 19.498 21.650 ( -5.119 0.000 18.814) 19.498 29.931 ( -3.545 0.000 -14.762) 15.181 29.931 ( -3.545 0.000 14.762) 15.181 30.411 ( 19.105 0.000 -4.087) 19.537 30.411 ( 19.105 0.000 4.087) 19.537 30.880 ( 1.958 0.000 -17.675) 17.783 30.880 ( 1.958 0.000 17.675) 17.783 33.740 ( -5.958 0.000 -15.983) 17.058 33.740 ( -5.958 0.000 15.983) 17.058 37.081 ( -35.663 0.000 -18.313) 40.090 37.081 ( -35.663 0.000 18.313) 40.090 39.594 ( -0.543 0.000 -5.080) 5.109 39.594 ( -0.543 0.000 5.080) 5.109 40.634 ( 18.553 0.000 -0.039) 18.553 40.634 ( 18.553 0.000 0.039) 18.553 43.089 ( 3.511 0.000 -12.978) 13.445 43.089 ( 3.511 0.000 12.978) 13.445 ======================= Grid point 499 (153/180) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( -2.227 0.000 -14.417) 14.588 3.831 ( -2.227 0.000 14.417) 14.588 4.464 ( 12.094 0.000 -13.171) 17.881 4.464 ( 12.094 0.000 13.171) 17.881 5.029 ( -6.267 0.000 -4.525) 7.730 5.029 ( -6.267 0.000 4.525) 7.730 7.391 ( -2.226 0.000 -18.601) 18.734 7.391 ( -2.226 0.000 18.601) 18.734 7.987 ( 11.941 0.000 -36.606) 38.504 7.987 ( 11.941 0.000 36.606) 38.504 9.734 ( -3.222 0.000 -3.639) 4.861 9.734 ( -3.222 0.000 3.639) 4.861 13.729 ( -0.419 0.000 -1.282) 1.349 13.729 ( -0.419 0.000 1.282) 1.349 16.519 ( 22.414 0.000 -4.092) 22.784 16.519 ( 22.414 0.000 4.092) 22.784 17.813 ( 13.651 0.000 -10.127) 16.997 17.813 ( 13.651 0.000 10.127) 16.997 21.499 ( -9.599 0.000 -16.860) 19.401 21.499 ( -9.599 0.000 16.860) 19.401 29.925 ( 2.706 0.000 -20.238) 20.418 29.925 ( 2.706 0.000 20.238) 20.418 30.833 ( 19.559 0.000 -8.247) 21.227 30.833 ( 19.559 0.000 8.247) 21.227 30.957 ( 7.406 0.000 -9.796) 12.280 30.957 ( 7.406 0.000 9.796) 12.280 33.563 ( -11.327 0.000 -16.391) 19.924 33.563 ( -11.327 0.000 16.391) 19.924 36.345 ( -32.541 0.000 -20.341) 38.375 36.345 ( -32.541 0.000 20.341) 38.375 39.309 ( -24.440 0.000 -7.951) 25.701 39.309 ( -24.440 0.000 7.951) 25.701 41.205 ( 32.788 0.000 -1.323) 32.815 41.205 ( 32.788 0.000 1.323) 32.815 43.164 ( 3.202 0.000 -10.972) 11.430 43.164 ( 3.202 0.000 10.972) 11.430 ======================= Grid point 501 (154/180) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( -1.533 0.000 -20.358) 20.415 3.790 ( -1.533 0.000 20.358) 20.415 4.492 ( -9.203 0.000 -6.514) 11.275 4.492 ( -9.203 0.000 6.514) 11.275 5.160 ( 18.992 0.000 -4.349) 19.483 5.160 ( 18.992 0.000 4.349) 19.483 7.268 ( -9.717 0.000 -13.916) 16.973 7.268 ( -9.717 0.000 13.916) 16.973 8.290 ( 16.943 0.000 -25.860) 30.916 8.290 ( 16.943 0.000 25.860) 30.916 9.644 ( -5.743 0.000 -0.402) 5.757 9.644 ( -5.743 0.000 0.402) 5.757 13.872 ( 14.041 0.000 -4.911) 14.875 13.872 ( 14.041 0.000 4.911) 14.875 16.550 ( -14.887 0.000 -9.832) 17.840 16.550 ( -14.887 0.000 9.832) 17.840 18.409 ( 39.458 0.000 -2.093) 39.513 18.409 ( 39.458 0.000 2.093) 39.513 21.262 ( -13.697 0.000 -13.836) 19.469 21.262 ( -13.697 0.000 13.836) 19.469 30.031 ( 7.527 0.000 -24.274) 25.414 30.031 ( 7.527 0.000 24.274) 25.414 31.015 ( 3.694 0.000 -21.122) 21.443 31.015 ( 3.694 0.000 21.122) 21.443 31.310 ( 20.246 0.000 -0.952) 20.268 31.310 ( 20.246 0.000 0.952) 20.268 33.286 ( -15.674 0.000 -16.799) 22.976 33.286 ( -15.674 0.000 16.799) 22.976 35.878 ( -11.432 0.000 -15.679) 19.405 35.878 ( -11.432 0.000 15.679) 19.405 38.698 ( -34.375 0.000 -9.370) 35.629 38.698 ( -34.375 0.000 9.370) 35.629 41.849 ( 29.271 0.000 -2.860) 29.411 41.849 ( 29.271 0.000 2.860) 29.411 43.199 ( -0.031 0.000 -8.583) 8.583 43.199 ( -0.031 0.000 8.583) 8.583 ======================= Grid point 503 (155/180) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( 1.402 0.000 -20.204) 20.252 3.785 ( 1.402 0.000 20.204) 20.252 4.252 ( -12.468 0.000 -2.862) 12.792 4.252 ( -12.468 0.000 2.862) 12.792 5.632 ( 25.296 0.000 -10.757) 27.488 5.632 ( 25.296 0.000 10.757) 27.488 7.003 ( -16.161 0.000 -12.544) 20.458 7.003 ( -16.161 0.000 12.544) 20.458 8.646 ( 17.514 0.000 -18.120) 25.200 8.646 ( 17.514 0.000 18.120) 25.200 9.495 ( -9.018 0.000 -3.491) 9.671 9.495 ( -9.018 0.000 3.491) 9.671 14.273 ( 24.604 0.000 -9.072) 26.223 14.273 ( 24.604 0.000 9.072) 26.223 16.094 ( -27.647 0.000 -13.504) 30.769 16.094 ( -27.647 0.000 13.504) 30.769 19.224 ( 38.535 0.000 -2.172) 38.596 19.224 ( 38.535 0.000 2.172) 38.596 20.938 ( -18.385 0.000 -10.303) 21.075 20.938 ( -18.385 0.000 10.303) 21.075 30.229 ( 11.876 0.000 -26.448) 28.992 30.229 ( 11.876 0.000 26.448) 28.992 31.006 ( -5.431 0.000 -21.503) 22.178 31.006 ( -5.431 0.000 21.503) 22.178 31.706 ( 19.261 0.000 -7.010) 20.497 31.706 ( 19.261 0.000 7.010) 20.497 32.933 ( -18.891 0.000 -16.543) 25.111 32.933 ( -18.891 0.000 16.543) 25.111 35.916 ( 14.751 0.000 -5.069) 15.598 35.916 ( 14.751 0.000 5.069) 15.598 37.948 ( -38.740 0.000 -10.151) 40.048 37.948 ( -38.740 0.000 10.151) 40.048 42.375 ( 22.344 0.000 -3.553) 22.625 42.375 ( 22.344 0.000 3.553) 22.625 43.155 ( -4.487 0.000 -6.453) 7.860 43.155 ( -4.487 0.000 6.453) 7.860 ======================= Grid point 505 (156/180) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.857 ( 5.803 0.000 -16.112) 17.125 3.857 ( 5.803 0.000 16.112) 17.125 4.019 ( -10.001 0.000 -9.921) 14.087 4.019 ( -10.001 0.000 9.921) 14.087 6.147 ( 24.726 0.000 -12.301) 27.616 6.147 ( 24.726 0.000 12.301) 27.616 6.619 ( -21.372 0.000 -12.503) 24.761 6.619 ( -21.372 0.000 12.503) 24.761 8.986 ( 15.686 0.000 -12.422) 20.009 8.986 ( 15.686 0.000 12.422) 20.009 9.275 ( -12.586 0.000 -7.718) 14.764 9.275 ( -12.586 0.000 7.719) 14.764 14.841 ( 30.523 0.000 -12.217) 32.878 14.841 ( 30.523 0.000 12.217) 32.878 15.481 ( -31.672 0.000 -13.794) 34.545 15.481 ( -31.672 0.000 13.794) 34.545 19.939 ( 31.547 0.000 -4.165) 31.821 19.939 ( 31.547 0.000 4.165) 31.821 20.506 ( -24.377 0.000 -6.935) 25.344 20.506 ( -24.377 0.000 6.935) 25.344 30.505 ( 14.827 0.000 -26.540) 30.401 30.505 ( 14.827 0.000 26.540) 30.401 30.803 ( -13.501 0.000 -24.488) 27.963 30.803 ( -13.501 0.000 24.488) 27.963 32.109 ( 20.434 0.000 -12.501) 23.954 32.109 ( 20.434 0.000 12.501) 23.954 32.529 ( -20.567 0.000 -15.238) 25.597 32.529 ( -20.567 0.000 15.238) 25.597 36.414 ( 32.208 0.000 -4.391) 32.506 36.414 ( 32.208 0.000 4.391) 32.506 37.151 ( -38.824 0.000 -9.099) 39.876 37.151 ( -38.824 0.000 9.099) 39.876 42.758 ( 15.548 0.000 -4.064) 16.070 42.758 ( 15.548 0.000 4.064) 16.070 43.013 ( -9.617 0.000 -4.938) 10.811 43.013 ( -9.617 0.000 4.938) 10.811 ======================= Grid point 517 (157/180) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( 0.000 7.892 -21.381) 22.791 3.980 ( 0.000 7.892 21.381) 22.791 4.159 ( 0.000 6.592 -21.638) 22.620 4.159 ( 0.000 6.592 21.638) 22.620 5.336 ( 0.000 4.182 -8.336) 9.326 5.336 ( 0.000 4.182 8.336) 9.326 7.267 ( 0.000 -5.489 -19.927) 20.670 7.267 ( 0.000 -5.489 19.927) 20.670 7.819 ( 0.000 2.225 -41.818) 41.877 7.819 ( 0.000 2.225 41.818) 41.877 9.718 ( 0.000 -7.260 -5.938) 9.379 9.718 ( 0.000 -7.260 5.938) 9.379 14.211 ( 0.000 7.994 -4.507) 9.177 14.211 ( 0.000 7.994 4.507) 9.177 15.282 ( 0.000 -1.856 -29.169) 29.228 15.282 ( 0.000 -1.856 29.169) 29.228 17.980 ( 0.000 17.704 -11.099) 20.895 17.980 ( 0.000 17.704 11.099) 20.895 21.641 ( 0.000 -6.036 -19.582) 20.492 21.641 ( 0.000 -6.036 19.582) 20.492 30.131 ( 0.000 0.516 -13.066) 13.076 30.131 ( 0.000 0.516 13.066) 13.076 30.164 ( 0.000 8.945 -18.319) 20.386 30.164 ( 0.000 8.945 18.319) 20.386 30.937 ( 0.000 8.721 -18.655) 20.592 30.937 ( 0.000 8.721 18.655) 20.592 33.773 ( 0.000 -2.734 -16.690) 16.913 33.773 ( 0.000 -2.734 16.690) 16.913 37.510 ( 0.000 -1.456 -15.737) 15.804 37.510 ( 0.000 -1.456 15.737) 15.804 39.086 ( 0.000 -29.748 -7.487) 30.676 39.086 ( 0.000 -29.748 7.488) 30.676 40.833 ( 0.000 24.697 -1.228) 24.727 40.833 ( 0.000 24.697 1.228) 24.727 43.003 ( 0.000 -4.419 -13.795) 14.485 43.003 ( 0.000 -4.419 13.795) 14.485 ======================= Grid point 519 (158/180) ======================= q-point: ( 0.09 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -1.778 7.873 -9.389) 12.381 3.957 ( -1.778 7.873 9.389) 12.381 4.260 ( 9.039 5.123 -7.888) 13.045 4.260 ( 9.039 5.123 7.888) 13.045 5.244 ( -8.303 3.804 -7.473) 11.801 5.244 ( -8.303 3.804 7.473) 11.801 7.301 ( 2.283 -6.499 -20.862) 21.970 7.301 ( 2.283 -6.499 20.862) 21.970 7.865 ( 5.070 3.508 -41.467) 41.923 7.865 ( 5.070 3.508 41.467) 41.923 9.709 ( -0.964 -6.772 -5.291) 8.647 9.709 ( -0.964 -6.772 5.291) 8.647 13.962 ( -14.629 6.564 -1.389) 16.094 13.962 ( -14.629 6.564 1.389) 16.094 15.806 ( 39.988 -0.048 -19.671) 44.565 15.806 ( 39.988 -0.048 19.671) 44.565 17.938 ( -3.365 16.938 -10.383) 20.150 17.938 ( -3.365 16.938 10.383) 20.150 21.592 ( -4.762 -5.673 -18.903) 20.303 21.592 ( -4.762 -5.673 18.903) 20.303 29.989 ( -4.214 4.722 -10.696) 12.428 29.989 ( -4.214 4.722 10.696) 12.428 30.441 ( 16.706 2.006 -4.770) 17.489 30.441 ( 16.706 2.006 4.770) 17.489 30.970 ( 3.606 10.080 -18.953) 21.768 30.970 ( 3.606 10.080 18.953) 21.768 33.714 ( -5.837 -2.597 -16.907) 18.074 33.714 ( -5.837 -2.597 16.907) 18.074 37.041 ( -36.552 -3.769 -18.298) 41.050 37.041 ( -36.552 -3.769 18.298) 41.050 39.286 ( 8.650 -23.400 -6.904) 25.885 39.286 ( 8.650 -23.400 6.904) 25.885 40.916 ( 10.768 21.111 -1.491) 23.745 40.916 ( 10.768 21.111 1.491) 23.745 43.045 ( 3.689 -4.202 -12.745) 13.918 43.045 ( 3.689 -4.202 12.745) 13.918 ======================= Grid point 521 (159/180) ======================= q-point: ( 0.18 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.915 ( -2.305 7.841 -15.514) 17.535 3.915 ( -2.305 7.841 15.514) 17.535 4.481 ( 10.416 1.748 -12.098) 16.060 4.481 ( 10.416 1.748 12.098) 16.060 5.059 ( -7.156 2.819 -5.944) 9.721 5.059 ( -7.156 2.819 5.944) 9.721 7.302 ( -3.123 -8.488 -17.767) 19.937 7.302 ( -3.123 -8.488 17.767) 19.937 8.047 ( 12.769 5.631 -34.446) 37.165 8.047 ( 12.769 5.631 34.446) 37.165 9.676 ( -2.374 -5.423 -3.429) 6.842 9.676 ( -2.374 -5.423 3.429) 6.842 13.801 ( -0.199 6.520 -1.323) 6.656 13.801 ( -0.199 6.520 1.323) 6.656 16.557 ( 25.710 3.093 -11.077) 28.165 16.557 ( 25.710 3.093 11.077) 28.165 17.947 ( 9.669 12.991 -5.660) 17.155 17.947 ( 9.669 12.991 5.660) 17.155 21.452 ( -8.897 -4.599 -16.950) 19.688 21.452 ( -8.897 -4.599 16.950) 19.688 29.966 ( 1.629 3.634 -16.688) 17.156 29.966 ( 1.629 3.634 16.688) 17.156 30.771 ( 13.828 -4.159 -7.664) 16.348 30.771 ( 13.828 -4.159 7.664) 16.348 31.114 ( 11.433 13.242 -18.212) 25.253 31.114 ( 11.433 13.242 18.212) 25.253 33.540 ( -11.068 -2.141 -17.538) 20.849 33.540 ( -11.068 -2.141 17.538) 20.849 36.304 ( -31.955 -3.786 -19.894) 37.832 36.304 ( -31.955 -3.786 19.894) 37.832 39.188 ( -17.672 -10.617 -8.371) 22.251 39.188 ( -17.672 -10.617 8.371) 22.251 41.318 ( 26.561 9.836 -1.762) 28.379 41.318 ( 26.561 9.836 1.762) 28.379 43.124 ( 3.443 -3.746 -10.382) 11.562 43.124 ( 3.443 -3.746 10.382) 11.562 ======================= Grid point 523 (160/180) ======================= q-point: ( 0.27 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.870 ( -1.808 7.565 -20.501) 21.927 3.870 ( -1.808 7.565 20.501) 21.927 4.511 ( -8.192 1.996 -6.025) 10.363 4.511 ( -8.192 1.996 6.025) 10.363 5.138 ( 15.784 -2.071 -6.547) 17.213 5.138 ( 15.784 -2.071 6.547) 17.213 7.164 ( -10.346 -9.927 -13.826) 19.918 7.164 ( -10.346 -9.927 13.826) 19.918 8.358 ( 16.960 6.306 -24.568) 30.512 8.358 ( 16.960 6.306 24.568) 30.512 9.607 ( -4.497 -3.333 -1.045) 5.694 9.607 ( -4.497 -3.333 1.045) 5.694 13.951 ( 14.390 7.174 -4.564) 16.715 13.951 ( 14.390 7.174 4.564) 16.715 16.645 ( -13.631 8.640 -13.107) 20.791 16.645 ( -13.631 8.640 13.107) 20.791 18.468 ( 37.338 5.830 -6.531) 38.351 18.468 ( 37.338 5.830 6.531) 38.351 21.232 ( -12.755 -2.942 -14.107) 19.245 21.232 ( -12.755 -2.942 14.107) 19.245 30.048 ( 6.402 1.733 -21.673) 22.665 30.048 ( 6.402 1.732 21.673) 22.665 30.970 ( 5.876 -3.929 -12.087) 14.002 30.970 ( 5.876 -3.929 12.087) 14.002 31.406 ( 15.564 8.550 -10.119) 20.438 31.406 ( 15.564 8.550 10.119) 20.438 33.269 ( -15.497 -1.553 -18.082) 23.865 33.269 ( -15.497 -1.553 18.082) 23.865 35.858 ( -10.054 -1.793 -14.842) 18.016 35.858 ( -10.054 -1.793 14.842) 18.016 38.665 ( -31.699 -3.012 -10.233) 33.445 38.665 ( -31.699 -3.012 10.233) 33.445 41.881 ( 26.972 2.987 -2.499) 27.252 41.881 ( 26.972 2.987 2.499) 27.252 43.165 ( 0.247 -3.221 -7.820) 8.461 43.165 ( 0.247 -3.221 7.820) 8.461 ======================= Grid point 525 (161/180) ======================= q-point: ( 0.36 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.857 ( 0.927 6.869 -20.347) 21.496 3.857 ( 0.927 6.869 20.347) 21.496 4.287 ( -11.797 3.426 -4.828) 13.199 4.287 ( -11.797 3.426 4.828) 13.199 5.558 ( 23.293 -6.927 -12.118) 27.155 5.558 ( 23.293 -6.927 12.118) 27.155 6.889 ( -16.560 -10.941 -12.968) 23.709 6.889 ( -16.560 -10.941 12.968) 23.709 8.708 ( 16.987 5.792 -17.221) 24.873 8.708 ( 16.987 5.792 17.221) 24.873 9.487 ( -7.539 -0.691 -3.368) 8.286 9.487 ( -7.539 -0.691 3.368) 8.286 14.358 ( 24.865 7.799 -9.343) 27.684 14.358 ( 24.865 7.799 9.343) 27.684 16.196 ( -27.868 9.361 -15.136) 33.066 16.196 ( -27.868 9.361 15.136) 33.066 19.259 ( 37.872 3.382 -7.730) 38.800 19.259 ( 37.872 3.382 7.730) 38.800 20.928 ( -17.401 -1.021 -11.151) 20.692 20.928 ( -17.401 -1.021 11.151) 20.692 30.226 ( 11.018 -0.162 -24.799) 27.137 30.226 ( 11.018 -0.162 24.799) 27.137 30.984 ( -5.112 -2.268 -18.867) 19.678 30.984 ( -5.112 -2.268 18.867) 19.678 31.730 ( 16.863 2.260 -7.772) 18.705 31.730 ( 16.863 2.260 7.772) 18.705 32.917 ( -18.941 -1.413 -17.558) 25.866 32.917 ( -18.941 -1.413 17.558) 25.866 35.925 ( 15.994 0.884 -3.943) 16.496 35.925 ( 15.994 0.884 3.943) 16.496 37.953 ( -37.501 0.420 -11.285) 39.165 37.953 ( -37.501 0.420 11.285) 39.165 42.376 ( 21.372 0.156 -3.018) 21.584 42.376 ( 21.372 0.156 3.018) 21.584 43.126 ( -4.175 -2.648 -5.688) 7.536 43.126 ( -4.175 -2.648 5.688) 7.536 ======================= Grid point 527 (162/180) ======================= q-point: ( 0.45 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.918 ( 5.201 5.840 -16.489) 18.250 3.918 ( 5.201 5.840 16.489) 18.250 4.068 ( -9.347 4.646 -10.740) 14.976 4.068 ( -9.347 4.646 10.740) 14.976 6.042 ( 23.687 -9.853 -13.344) 28.917 6.042 ( 23.687 -9.853 13.344) 28.917 6.502 ( -21.183 -11.096 -13.262) 27.345 6.502 ( -21.183 -11.096 13.262) 27.345 9.033 ( 14.661 4.310 -11.725) 19.261 9.033 ( 14.661 4.310 11.725) 19.261 9.297 ( -11.197 2.031 -7.247) 13.491 9.297 ( -11.197 2.031 7.247) 13.491 14.931 ( 30.759 8.275 -12.974) 34.393 14.931 ( 30.759 8.275 12.974) 34.393 15.577 ( -31.988 8.801 -14.926) 36.380 15.577 ( -31.988 8.801 14.926) 36.380 19.962 ( 30.929 2.181 -7.971) 32.014 19.962 ( 30.929 2.181 7.971) 32.014 20.514 ( -23.545 0.770 -8.961) 25.204 20.514 ( -23.545 0.770 8.961) 25.204 30.488 ( 14.406 -1.493 -25.698) 29.499 30.488 ( 14.406 -1.493 25.698) 29.499 30.782 ( -13.491 -2.023 -23.983) 27.591 30.782 ( -13.491 -2.023 23.983) 27.591 32.102 ( 19.596 -0.600 -13.297) 23.689 32.102 ( 19.596 -0.600 13.297) 23.689 32.513 ( -20.415 -1.410 -16.052) 26.008 32.513 ( -20.415 -1.410 16.052) 26.008 36.439 ( 32.512 2.313 -5.596) 33.071 36.439 ( 32.512 2.313 5.596) 33.071 37.173 ( -38.327 2.045 -10.290) 39.737 37.173 ( -38.327 2.045 10.290) 39.737 42.746 ( 15.025 -1.187 -3.461) 15.464 42.746 ( 15.025 -1.187 3.461) 15.464 42.991 ( -9.248 -2.007 -4.252) 10.375 42.991 ( -9.248 -2.007 4.252) 10.375 ======================= Grid point 539 (163/180) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.193 ( 0.000 11.828 -20.032) 23.263 4.193 ( 0.000 11.828 20.032) 23.263 4.331 ( 0.000 9.218 -17.998) 20.221 4.331 ( 0.000 9.218 17.998) 20.221 5.474 ( 0.000 9.362 -15.318) 17.952 5.474 ( 0.000 9.362 15.318) 17.952 7.091 ( 0.000 -11.413 -21.879) 24.677 7.091 ( 0.000 -11.413 21.879) 24.677 7.907 ( 0.000 6.559 -39.792) 40.329 7.907 ( 0.000 6.559 39.792) 40.329 9.501 ( 0.000 -13.547 -5.428) 14.594 9.501 ( 0.000 -13.547 5.428) 14.594 14.414 ( 0.000 10.799 -6.156) 12.430 14.414 ( 0.000 10.799 6.156) 12.430 15.224 ( 0.000 -3.756 -27.959) 28.210 15.224 ( 0.000 -3.756 27.959) 28.210 18.495 ( 0.000 31.087 -5.296) 31.535 18.495 ( 0.000 31.087 5.296) 31.535 21.448 ( 0.000 -12.795 -19.898) 23.657 21.448 ( 0.000 -12.795 19.898) 23.657 30.148 ( 0.000 1.052 -18.130) 18.161 30.148 ( 0.000 1.052 18.130) 18.161 30.307 ( 0.000 3.358 -23.502) 23.741 30.307 ( 0.000 3.358 23.502) 23.741 31.294 ( 0.000 26.162 -17.068) 31.237 31.294 ( 0.000 26.162 17.068) 31.237 33.682 ( 0.000 -6.421 -18.576) 19.654 33.682 ( 0.000 -6.421 18.576) 19.654 37.469 ( 0.000 -2.344 -16.065) 16.235 37.469 ( 0.000 -2.344 16.065) 16.235 38.457 ( 0.000 -29.148 -11.393) 31.295 38.457 ( 0.000 -29.148 11.393) 31.295 41.335 ( 0.000 22.811 -4.503) 23.251 41.335 ( 0.000 22.811 4.503) 23.251 42.870 ( 0.000 -8.288 -13.686) 16.000 42.870 ( 0.000 -8.288 13.686) 16.000 ======================= Grid point 541 (164/180) ======================= q-point: ( 0.09 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.170 ( -1.717 11.819 -15.021) 19.190 4.170 ( -1.717 11.819 15.021) 19.190 4.398 ( 5.785 7.638 -12.874) 16.048 4.398 ( 5.785 7.638 12.874) 16.048 5.368 ( -9.560 8.387 -13.433) 18.498 5.368 ( -9.560 8.387 13.433) 18.498 7.099 ( -0.112 -12.930 -20.003) 23.818 7.099 ( -0.112 -12.930 20.003) 23.818 7.983 ( 7.603 7.985 -36.942) 38.553 7.983 ( 7.603 7.985 36.942) 38.553 9.508 ( 0.639 -12.386 -4.857) 13.319 9.508 ( 0.639 -12.386 4.857) 13.319 14.125 ( -15.501 8.349 -7.941) 19.315 14.125 ( -15.501 8.349 7.941) 19.315 15.798 ( 42.125 -0.712 -21.513) 47.305 15.798 ( 42.125 -0.712 21.513) 47.305 18.430 ( -5.721 29.680 -4.960) 30.631 18.430 ( -5.721 29.680 4.960) 30.631 21.411 ( -3.539 -11.882 -19.150) 22.813 21.411 ( -3.539 -11.882 19.150) 22.813 30.086 ( -2.989 4.194 -4.414) 6.783 30.086 ( -2.989 4.194 4.414) 6.783 30.451 ( 10.556 -1.354 -10.014) 14.614 30.451 ( 10.556 -1.354 10.014) 14.614 31.340 ( 4.548 25.237 -18.243) 31.471 31.340 ( 4.548 25.237 18.243) 31.471 33.628 ( -5.168 -5.842 -19.091) 20.624 33.628 ( -5.168 -5.842 19.091) 20.624 36.932 ( -38.311 -6.535 -17.963) 42.814 36.932 ( -38.311 -6.535 17.963) 42.814 38.797 ( 18.462 -22.093 -9.647) 30.365 38.797 ( 18.462 -22.093 9.647) 30.365 41.356 ( 3.739 20.270 -4.048) 21.006 41.356 ( 3.739 20.270 4.048) 21.006 42.921 ( 4.435 -7.586 -11.994) 14.868 42.921 ( 4.435 -7.586 11.994) 14.868 ======================= Grid point 543 (165/180) ======================= q-point: ( 0.18 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( -2.238 12.062 -16.820) 20.818 4.130 ( -2.238 12.062 16.820) 20.818 4.541 ( 7.253 4.084 -11.454) 14.160 4.541 ( 7.253 4.084 11.454) 14.160 5.144 ( -10.465 5.589 -8.741) 14.736 5.144 ( -10.465 5.589 8.741) 14.736 7.047 ( -5.577 -16.003 -15.768) 23.148 7.047 ( -5.577 -16.003 15.768) 23.148 8.211 ( 14.340 10.045 -29.156) 34.009 8.211 ( 14.340 10.045 29.156) 34.009 9.521 ( 0.393 -9.344 -3.494) 9.984 9.521 ( 0.393 -9.344 3.494) 9.984 13.968 ( 0.643 8.788 -3.965) 9.663 13.968 ( 0.643 8.788 3.965) 9.663 16.619 ( 32.276 2.480 -17.339) 36.723 16.619 ( 32.276 2.480 17.339) 36.723 18.339 ( 0.773 24.158 -5.251) 24.734 18.339 ( 0.773 24.158 5.251) 24.734 21.307 ( -6.652 -9.383 -17.203) 20.694 21.307 ( -6.652 -9.383 17.203) 20.694 30.059 ( 0.417 5.096 -8.995) 10.347 30.059 ( 0.417 5.096 8.995) 10.347 30.675 ( 10.768 -5.147 -3.951) 12.572 30.675 ( 10.768 -5.147 3.951) 12.572 31.472 ( 7.848 20.614 -19.548) 29.473 31.472 ( 7.848 20.614 19.548) 29.473 33.476 ( -9.707 -4.015 -20.622) 23.144 33.476 ( -9.707 -4.015 20.622) 23.144 36.202 ( -30.092 -5.735 -18.565) 35.820 36.202 ( -30.092 -5.735 18.565) 35.820 38.931 ( -6.531 -13.036 -9.371) 17.332 38.931 ( -6.531 -13.036 9.371) 17.332 41.557 ( 16.244 12.210 -3.532) 20.626 41.557 ( 16.244 12.210 3.532) 20.626 43.018 ( 4.303 -6.315 -8.757) 11.623 43.018 ( 4.303 -6.315 8.757) 11.623 ======================= Grid point 545 (166/180) ======================= q-point: ( 0.27 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.082 ( -2.247 12.200 -20.127) 23.642 4.082 ( -2.247 12.200 20.127) 23.642 4.584 ( -5.569 5.369 -4.502) 8.951 4.584 ( -5.569 5.369 4.502) 8.951 5.082 ( 7.331 -3.067 -9.316) 12.245 5.082 ( 7.331 -3.067 9.316) 12.245 6.866 ( -12.109 -18.609 -13.667) 26.071 6.866 ( -12.109 -18.609 13.667) 26.071 8.535 ( 16.794 10.446 -21.113) 28.929 8.535 ( 16.794 10.446 21.113) 28.929 9.517 ( -1.001 -5.279 -2.253) 5.826 9.517 ( -1.001 -5.279 2.253) 5.826 14.138 ( 15.463 10.122 -3.895) 18.887 14.138 ( 15.463 10.122 3.895) 18.887 16.862 ( -8.869 11.068 -17.553) 22.567 16.862 ( -8.869 11.068 17.553) 22.567 18.654 ( 29.930 12.100 -13.360) 34.939 18.654 ( 29.930 12.100 13.360) 34.939 21.140 ( -9.945 -5.936 -14.924) 18.891 21.140 ( -9.945 -5.936 14.924) 18.891 30.103 ( 4.021 3.586 -15.868) 16.758 30.103 ( 4.021 3.586 15.868) 16.758 30.865 ( 7.104 -6.008 -3.498) 9.940 30.865 ( 7.104 -6.008 3.498) 9.940 31.625 ( 6.872 11.663 -15.015) 20.216 31.625 ( 6.872 11.663 15.015) 20.216 33.232 ( -14.533 -1.813 -21.813) 26.274 33.232 ( -14.533 -1.813 21.813) 26.274 35.813 ( -6.381 -2.207 -12.646) 14.335 35.813 ( -6.381 -2.207 12.646) 14.335 38.583 ( -25.600 -4.718 -11.769) 28.568 38.583 ( -25.600 -4.718 11.769) 28.568 41.961 ( 21.626 4.442 -3.657) 22.379 41.961 ( 21.626 4.442 3.657) 22.379 43.075 ( 1.080 -5.156 -5.977) 7.968 43.075 ( 1.080 -5.156 5.977) 7.968 ======================= Grid point 547 (167/180) ======================= q-point: ( 0.36 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.054 ( -0.151 11.627 -20.316) 23.408 4.054 ( -0.151 11.627 20.316) 23.408 4.396 ( -10.373 7.359 -8.377) 15.229 4.396 ( -10.373 7.359 8.377) 15.229 5.365 ( 18.012 -11.162 -15.052) 25.992 5.365 ( 18.012 -11.162 15.052) 25.992 6.565 ( -17.214 -19.893 -13.999) 29.800 6.565 ( -17.214 -19.893 13.999) 29.800 8.868 ( 15.485 9.204 -14.849) 23.345 8.868 ( 15.485 9.204 14.849) 23.345 9.470 ( -3.822 -0.924 -3.294) 5.130 9.470 ( -3.822 -0.924 3.294) 5.130 14.564 ( 25.672 11.321 -9.969) 29.776 14.564 ( 25.672 11.321 9.969) 29.776 16.445 ( -28.098 13.685 -18.164) 36.148 16.445 ( -28.098 13.685 18.164) 36.148 19.359 ( 35.551 6.137 -15.146) 39.127 19.359 ( 35.551 6.137 15.146) 39.127 20.894 ( -14.596 -2.298 -13.429) 19.967 20.894 ( -14.596 -2.298 13.429) 19.967 30.230 ( 8.555 0.739 -20.653) 22.366 30.230 ( 8.555 0.739 20.653) 22.366 30.907 ( -4.137 -5.197 -15.695) 17.043 30.907 ( -4.137 -5.197 15.695) 17.043 31.791 ( 11.021 3.285 -11.000) 15.914 31.791 ( 11.021 3.285 11.000) 15.914 32.886 ( -19.045 -1.204 -20.773) 28.208 32.886 ( -19.045 -1.204 20.773) 28.208 35.954 ( 18.924 1.851 -1.717) 19.092 35.954 ( 18.924 1.850 1.717) 19.092 37.960 ( -34.365 0.189 -13.529) 36.933 37.960 ( -34.365 0.189 13.529) 36.933 42.381 ( 18.898 0.290 -3.726) 19.264 42.381 ( 18.898 0.290 3.726) 19.264 43.054 ( -3.335 -4.123 -4.281) 6.815 43.054 ( -3.335 -4.123 4.281) 6.815 ======================= Grid point 549 (168/180) ======================= q-point: ( 0.45 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.088 ( 3.728 10.328 -17.356) 20.537 4.088 ( 3.728 10.328 17.356) 20.537 4.207 ( -7.812 8.750 -12.827) 17.381 4.207 ( -7.812 8.750 12.827) 17.381 5.764 ( 20.563 -16.323 -15.614) 30.546 5.764 ( 20.563 -16.323 15.614) 30.546 6.182 ( -20.115 -19.234 -14.964) 31.599 6.182 ( -20.115 -19.234 14.964) 31.599 9.151 ( 12.066 6.682 -10.020) 17.048 9.151 ( 12.066 6.682 10.020) 17.048 9.353 ( -7.815 3.195 -6.198) 10.474 9.353 ( -7.815 3.195 6.198) 10.474 15.152 ( 31.439 12.219 -14.607) 36.757 15.152 ( 31.439 12.219 14.607) 36.757 15.813 ( -32.776 13.076 -17.261) 39.283 15.813 ( -32.776 13.076 17.261) 39.283 20.023 ( 29.085 3.553 -14.255) 32.585 20.023 ( 29.085 3.553 14.255) 32.585 20.533 ( -21.191 0.944 -13.332) 25.054 20.533 ( -21.191 0.944 13.332) 25.054 30.449 ( 12.685 -2.126 -23.150) 26.483 30.449 ( 12.685 -2.127 23.150) 26.483 30.718 ( -12.747 -4.074 -22.647) 26.306 30.718 ( -12.747 -4.074 22.647) 26.306 32.089 ( 17.702 -0.572 -16.358) 24.110 32.089 ( 17.702 -0.572 16.358) 24.110 32.481 ( -20.214 -1.401 -19.002) 27.779 32.481 ( -20.214 -1.401 19.002) 27.779 36.502 ( 33.007 3.577 -8.473) 34.265 36.502 ( 33.007 3.577 8.473) 34.265 37.226 ( -36.919 2.820 -12.882) 39.204 37.226 ( -36.919 2.820 12.882) 39.204 42.713 ( 13.681 -1.810 -3.627) 14.269 42.713 ( 13.681 -1.810 3.627) 14.269 42.936 ( -8.301 -3.091 -3.653) 9.581 42.936 ( -8.301 -3.091 3.653) 9.581 ======================= Grid point 561 (169/180) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.428 ( 0.000 9.983 -18.721) 21.217 4.428 ( 0.000 9.983 18.721) 21.217 4.505 ( 0.000 6.970 -15.171) 16.695 4.505 ( 0.000 6.970 15.171) 16.695 5.725 ( 0.000 14.847 -18.964) 24.084 5.725 ( 0.000 14.847 18.964) 24.084 6.806 ( 0.000 -15.870 -20.184) 25.676 6.806 ( 0.000 -15.870 20.184) 25.676 8.098 ( 0.000 12.098 -31.715) 33.944 8.098 ( 0.000 12.098 31.715) 33.944 9.172 ( 0.000 -17.881 -7.374) 19.342 9.172 ( 0.000 -17.881 7.374) 19.342 14.632 ( 0.000 10.128 -14.995) 18.095 14.632 ( 0.000 10.128 14.995) 18.095 15.127 ( 0.000 -5.623 -26.249) 26.844 15.127 ( 0.000 -5.623 26.249) 26.844 19.207 ( 0.000 36.515 -12.910) 38.730 19.207 ( 0.000 36.515 12.910) 38.730 21.106 ( 0.000 -20.441 -20.256) 28.777 21.106 ( 0.000 -20.441 20.256) 28.777 30.175 ( 0.000 1.672 -21.914) 21.977 30.175 ( 0.000 1.672 21.914) 21.977 30.316 ( 0.000 -1.566 -22.146) 22.201 30.316 ( 0.000 -1.566 22.146) 22.201 31.941 ( 0.000 34.114 -18.435) 38.776 31.941 ( 0.000 34.114 18.435) 38.776 33.493 ( 0.000 -12.333 -20.278) 23.734 33.493 ( 0.000 -12.333 20.278) 23.734 37.426 ( 0.000 -1.328 -16.072) 16.126 37.426 ( 0.000 -1.328 16.072) 16.126 37.929 ( 0.000 -21.385 -13.343) 25.206 37.929 ( 0.000 -21.385 13.343) 25.206 41.762 ( 0.000 18.625 -7.504) 20.080 41.762 ( 0.000 18.625 7.504) 20.080 42.667 ( 0.000 -11.257 -13.211) 17.357 42.667 ( 0.000 -11.257 13.211) 17.357 ======================= Grid point 563 (170/180) ======================= q-point: ( 0.09 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.398 ( -1.955 9.174 -16.106) 18.638 4.398 ( -1.955 9.174 16.106) 18.638 4.553 ( 3.658 6.835 -16.179) 17.941 4.553 ( 3.658 6.835 16.179) 17.941 5.600 ( -11.371 14.242 -16.908) 24.860 5.600 ( -11.371 14.242 16.908) 24.860 6.779 ( -3.257 -17.793 -17.649) 25.273 6.779 ( -3.257 -17.793 17.649) 25.273 8.197 ( 9.340 12.700 -28.699) 32.744 8.197 ( 9.340 12.700 28.699) 32.744 9.210 ( 3.482 -16.169 -6.794) 17.881 9.210 ( 3.482 -16.169 6.794) 17.881 14.279 ( -16.113 6.211 -13.539) 21.944 14.279 ( -16.113 6.211 13.539) 21.944 15.778 ( 44.157 -1.118 -23.347) 49.961 15.778 ( 44.157 -1.118 23.347) 49.961 19.103 ( -9.584 33.821 -13.547) 37.673 19.103 ( -9.584 33.821 13.547) 37.673 21.100 ( -0.701 -18.127 -19.324) 26.505 21.100 ( -0.701 -18.127 19.324) 26.505 30.163 ( -0.440 3.449 -10.144) 10.724 30.163 ( -0.440 3.449 10.144) 10.724 30.397 ( 6.845 -3.431 -11.314) 13.661 30.397 ( 6.845 -3.431 11.314) 13.661 31.938 ( -0.445 30.563 -18.637) 35.800 31.938 ( -0.445 30.563 18.637) 35.800 33.463 ( -2.868 -10.432 -21.644) 24.197 33.463 ( -2.868 -10.432 21.644) 24.197 36.792 ( -39.151 -6.437 -17.013) 43.170 36.792 ( -39.151 -6.437 17.013) 43.170 38.415 ( 24.421 -14.473 -11.947) 30.799 38.415 ( 24.421 -14.473 11.947) 30.799 41.730 ( -1.314 15.740 -7.618) 17.536 41.730 ( -1.314 15.740 7.618) 17.536 42.744 ( 6.441 -9.232 -10.637) 15.488 42.744 ( 6.441 -9.232 10.637) 15.488 ======================= Grid point 565 (171/180) ======================= q-point: ( 0.18 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.360 ( -1.765 9.002 -15.748) 18.225 4.360 ( -1.765 9.002 15.748) 18.225 4.642 ( 5.089 5.119 -15.270) 16.890 4.642 ( 5.089 5.119 15.270) 16.890 5.316 ( -15.221 12.042 -13.281) 23.518 5.316 ( -15.221 12.042 13.281) 23.518 6.655 ( -9.013 -21.506 -14.627) 27.526 6.655 ( -9.013 -21.506 14.627) 27.526 8.452 ( 14.940 13.034 -22.493) 29.984 8.452 ( 14.940 13.034 22.493) 29.984 9.299 ( 4.852 -11.969 -5.515) 14.044 9.299 ( 4.852 -11.969 5.515) 14.044 14.135 ( 1.948 6.875 -6.488) 9.652 14.135 ( 1.948 6.875 6.488) 9.652 16.653 ( 37.256 0.885 -21.324) 42.936 16.653 ( 37.256 0.885 21.324) 42.936 18.885 ( -8.702 26.798 -15.816) 32.311 18.885 ( -8.702 26.798 15.816) 32.311 21.071 ( -2.340 -12.997 -17.466) 21.897 21.071 ( -2.340 -12.997 17.466) 21.897 30.167 ( 0.698 5.150 -4.976) 7.196 30.167 ( 0.698 5.150 4.976) 7.196 30.563 ( 8.919 -5.495 -6.059) 12.102 30.563 ( 8.919 -5.495 6.059) 12.102 31.913 ( -2.286 20.566 -17.428) 27.054 31.913 ( -2.286 20.566 17.428) 27.054 33.379 ( -5.659 -5.269 -25.456) 26.605 33.379 ( -5.659 -5.269 25.456) 26.605 36.087 ( -27.324 -4.872 -16.801) 32.444 36.087 ( -27.324 -4.872 16.801) 32.444 38.688 ( 1.224 -9.876 -10.827) 14.706 38.688 ( 1.224 -9.876 10.827) 14.706 41.790 ( 8.261 9.814 -8.494) 15.386 41.790 ( 8.261 9.814 8.494) 15.386 42.879 ( 6.030 -6.598 -7.283) 11.530 42.879 ( 6.030 -6.598 7.283) 11.530 ======================= Grid point 567 (172/180) ======================= q-point: ( 0.27 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.324 ( -1.673 9.984 -17.371) 20.105 4.324 ( -1.673 9.984 17.371) 20.105 4.733 ( 1.357 7.607 -4.072) 8.734 4.733 ( 1.357 7.607 4.072) 8.734 5.053 ( -7.338 2.758 -8.492) 11.558 5.053 ( -7.338 2.758 8.492) 11.558 6.417 ( -14.114 -24.219 -14.376) 31.503 6.417 ( -14.114 -24.219 14.376) 31.503 8.771 ( 15.684 11.927 -16.599) 25.764 8.771 ( 15.684 11.927 16.599) 25.764 9.391 ( 3.862 -6.933 -4.272) 9.013 9.391 ( 3.862 -6.933 4.272) 9.013 14.335 ( 16.921 8.260 -3.454) 19.143 14.335 ( 16.921 8.260 3.454) 19.143 17.059 ( -1.185 7.421 -19.905) 21.276 17.059 ( -1.185 7.421 19.905) 21.276 18.945 ( 17.949 14.914 -21.086) 31.452 18.945 ( 17.949 14.914 21.086) 31.452 20.995 ( -5.463 -7.661 -16.273) 18.797 20.995 ( -5.463 -7.661 16.273) 18.797 30.191 ( 1.897 4.670 -10.923) 12.030 30.191 ( 1.897 4.670 10.923) 12.030 30.734 ( 6.887 -6.391 -9.433) 13.314 30.734 ( 6.887 -6.391 9.433) 13.314 31.847 ( -3.375 9.023 -12.779) 16.003 31.847 ( -3.375 9.023 12.779) 16.003 33.204 ( -12.339 -0.738 -27.821) 30.443 33.204 ( -12.339 -0.738 27.821) 30.443 35.776 ( -1.899 -1.283 -10.041) 10.299 35.776 ( -1.899 -1.283 10.041) 10.299 38.485 ( -19.592 -4.385 -13.055) 23.948 38.485 ( -19.592 -4.385 13.055) 23.948 42.051 ( 16.065 3.964 -8.719) 18.704 42.051 ( 16.065 3.964 8.719) 18.704 42.967 ( 2.363 -4.896 -5.969) 8.074 42.967 ( 2.363 -4.896 5.969) 8.074 ======================= Grid point 569 (173/180) ======================= q-point: ( 0.36 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.302 ( -0.244 11.349 -18.505) 21.709 4.302 ( -0.244 11.349 18.505) 21.709 4.611 ( -9.875 13.998 -13.334) 21.709 4.611 ( -9.875 13.998 13.334) 21.709 5.124 ( 10.994 -11.615 -17.911) 24.013 5.124 ( 10.994 -11.615 17.911) 24.013 6.097 ( -17.005 -24.621 -15.467) 33.684 6.097 ( -17.005 -24.621 15.467) 33.684 9.067 ( 13.052 9.568 -11.809) 20.034 9.067 ( 13.052 9.568 11.809) 20.034 9.442 ( 0.814 -2.052 -3.926) 4.504 9.442 ( 0.814 -2.052 3.926) 4.504 14.787 ( 26.772 9.474 -10.618) 30.319 14.787 ( 26.772 9.474 10.618) 30.319 16.713 ( -27.602 11.297 -20.339) 36.099 16.713 ( -27.602 11.297 20.339) 36.099 19.498 ( 31.390 6.810 -22.485) 39.208 19.498 ( 31.390 6.810 22.485) 39.208 20.835 ( -10.606 -3.134 -16.596) 19.943 20.835 ( -10.606 -3.134 16.596) 19.943 30.259 ( 5.159 1.994 -16.059) 16.985 30.259 ( 5.159 1.994 16.059) 16.985 30.784 ( -3.154 -6.194 -17.603) 18.925 30.784 ( -3.154 -6.194 17.603) 18.925 31.849 ( 5.473 2.118 -15.269) 16.358 31.849 ( 5.473 2.118 15.269) 16.358 32.874 ( -19.297 0.017 -26.116) 32.472 32.874 ( -19.297 0.017 26.116) 32.472 35.997 ( 21.829 2.176 -3.410) 22.201 35.997 ( 21.829 2.176 3.410) 22.201 37.959 ( -30.764 -0.315 -15.507) 34.453 37.959 ( -30.764 -0.315 15.507) 34.453 42.388 ( 16.027 0.344 -8.284) 18.045 42.388 ( 16.027 0.344 8.284) 18.045 42.969 ( -2.262 -3.729 -6.158) 7.546 42.969 ( -2.262 -3.729 6.158) 7.546 ======================= Grid point 571 (174/180) ======================= q-point: ( 0.45 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.327 ( 3.018 12.310 -17.909) 21.941 4.327 ( 3.018 12.310 17.909) 21.941 4.431 ( -7.171 13.055 -16.082) 21.920 4.431 ( -7.171 13.055 16.082) 21.920 5.402 ( 15.671 -17.844 -17.731) 29.637 5.402 ( 15.671 -17.844 17.731) 29.637 5.743 ( -17.447 -22.379 -16.684) 32.918 5.743 ( -17.447 -22.379 16.684) 32.918 9.289 ( 8.647 6.308 -8.036) 13.384 9.289 ( 8.647 6.308 8.036) 13.384 9.415 ( -3.675 2.389 -5.282) 6.864 9.415 ( -3.675 2.389 5.282) 6.864 15.395 ( 32.310 10.371 -16.113) 37.565 15.395 ( 32.310 10.371 16.113) 37.565 16.073 ( -33.598 11.126 -19.266) 40.296 16.073 ( -33.598 11.126 19.266) 40.296 20.098 ( 26.344 3.437 -20.611) 33.625 20.098 ( 26.344 3.437 20.611) 33.625 20.549 ( -17.945 0.494 -18.289) 25.627 20.549 ( -17.945 0.494 18.289) 25.627 30.409 ( 9.518 -1.563 -19.813) 22.036 30.409 ( 9.518 -1.563 19.813) 22.036 30.625 ( -10.744 -4.559 -21.534) 24.494 30.625 ( -10.744 -4.559 21.534) 24.494 32.080 ( 16.179 -0.305 -21.691) 27.062 32.080 ( 16.179 -0.305 21.691) 27.062 32.461 ( -20.396 -0.498 -24.166) 31.627 32.461 ( -20.396 -0.498 24.166) 31.627 36.575 ( 33.093 3.204 -11.595) 35.212 36.575 ( 33.093 3.204 11.595) 35.212 37.280 ( -35.045 2.176 -15.447) 38.360 37.280 ( -35.045 2.176 15.447) 38.360 42.677 ( 12.108 -1.577 -7.571) 14.367 42.677 ( 12.108 -1.577 7.571) 14.367 42.874 ( -7.189 -2.742 -6.824) 10.284 42.874 ( -7.189 -2.742 6.824) 10.284 ======================= Grid point 583 (175/180) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.578 ( 0.000 4.261 -17.257) 17.775 4.578 ( 0.000 4.261 17.257) 17.775 4.600 ( 0.000 1.968 -15.474) 15.599 4.600 ( 0.000 1.968 15.474) 15.599 6.071 ( 0.000 18.111 -19.224) 26.411 6.071 ( 0.000 18.111 19.224) 26.411 6.451 ( 0.000 -18.231 -18.931) 26.282 6.451 ( 0.000 -18.231 18.931) 26.282 8.402 ( 0.000 17.063 -21.769) 27.659 8.402 ( 0.000 17.063 21.769) 27.659 8.783 ( 0.000 -19.261 -13.119) 23.305 8.783 ( 0.000 -19.261 13.119) 23.305 14.827 ( 0.000 8.756 -20.726) 22.500 14.827 ( 0.000 8.756 20.726) 22.500 14.993 ( 0.000 -7.299 -24.048) 25.131 14.993 ( 0.000 -7.299 24.048) 25.131 19.950 ( 0.000 34.538 -18.159) 39.021 19.950 ( 0.000 34.538 18.159) 39.021 20.603 ( 0.000 -28.259 -20.072) 34.662 20.603 ( 0.000 -28.259 20.072) 34.662 30.217 ( 0.000 2.325 -23.227) 23.343 30.217 ( 0.000 2.325 23.227) 23.343 30.269 ( 0.000 -2.628 -22.608) 22.760 30.269 ( 0.000 -2.628 22.608) 22.760 32.620 ( 0.000 30.221 -20.554) 36.548 32.620 ( 0.000 30.221 20.554) 36.548 33.153 ( 0.000 -21.059 -21.039) 29.768 33.153 ( 0.000 -21.059 21.039) 29.768 37.439 ( 0.000 3.295 -15.424) 15.772 37.439 ( 0.000 3.295 15.424) 15.772 37.588 ( 0.000 -11.642 -14.424) 18.536 37.588 ( 0.000 -11.642 14.424) 18.536 42.113 ( 0.000 15.563 -10.119) 18.563 42.113 ( 0.000 15.563 10.119) 18.563 42.411 ( 0.000 -13.439 -12.070) 18.063 42.411 ( 0.000 -13.439 12.070) 18.063 ======================= Grid point 585 (176/180) ======================= q-point: ( 0.09 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.525 ( -2.718 3.081 -14.559) 15.127 4.525 ( -2.718 3.081 14.559) 15.127 4.656 ( 3.086 2.740 -18.255) 18.716 4.656 ( 3.086 2.740 18.255) 18.716 5.946 ( -11.483 18.316 -17.456) 27.786 5.946 ( -11.483 18.316 17.456) 27.786 6.386 ( -6.465 -19.378 -17.158) 26.678 6.386 ( -6.465 -19.378 17.158) 26.678 8.499 ( 8.991 16.213 -19.866) 27.173 8.499 ( 8.991 16.213 19.866) 27.173 8.858 ( 6.857 -17.485 -11.982) 22.278 8.858 ( 6.857 -17.485 11.982) 22.278 14.369 ( -16.467 2.262 -16.357) 23.320 14.369 ( -16.467 2.262 16.357) 23.320 15.759 ( 45.476 -0.555 -24.686) 51.748 15.759 ( 45.476 -0.555 24.686) 51.748 19.735 ( -17.981 23.420 -19.779) 35.539 19.735 ( -17.981 23.420 19.779) 35.539 20.702 ( 7.109 -17.280 -18.650) 26.401 20.702 ( 7.109 -17.280 18.650) 26.401 30.231 ( 1.407 3.010 -15.083) 15.444 30.231 ( 1.407 3.010 15.083) 15.444 30.324 ( 5.044 -3.263 -16.305) 17.377 30.324 ( 5.044 -3.263 16.305) 17.377 32.504 ( -10.315 20.843 -17.656) 29.199 32.504 ( -10.315 20.843 17.656) 29.199 33.207 ( 4.356 -12.441 -25.070) 28.325 33.207 ( 4.356 -12.441 25.070) 28.325 36.692 ( -38.912 -2.691 -16.069) 42.185 36.692 ( -38.912 -2.691 16.069) 42.185 38.212 ( 26.829 -5.017 -13.359) 30.388 38.212 ( 26.829 -5.017 13.359) 30.388 41.987 ( -6.965 7.920 -12.405) 16.282 41.987 ( -6.965 7.920 12.405) 16.282 42.571 ( 10.872 -6.041 -9.386) 15.581 42.571 ( 10.872 -6.041 9.386) 15.581 ======================= Grid point 587 (177/180) ======================= q-point: ( 0.18 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.482 ( -1.463 2.853 -13.771) 14.140 4.482 ( -1.463 2.853 13.771) 14.140 4.718 ( 3.131 1.867 -19.290) 19.631 4.718 ( 3.131 1.867 19.290) 19.631 5.648 ( -16.795 18.460 -16.737) 30.049 5.648 ( -16.795 18.460 16.737) 30.049 6.194 ( -12.082 -21.439 -16.480) 29.618 6.194 ( -12.082 -21.439 16.480) 29.618 8.735 ( 13.392 13.987 -16.159) 25.221 8.735 ( 13.392 13.987 16.159) 25.221 9.034 ( 9.722 -13.459 -9.589) 19.173 9.034 ( 9.722 -13.459 9.589) 19.173 14.235 ( 2.923 2.554 -7.775) 8.690 14.235 ( 2.923 2.554 7.775) 8.690 16.662 ( 39.606 0.140 -23.549) 46.078 16.662 ( 39.606 0.140 23.549) 46.078 19.341 ( -17.661 14.080 -22.850) 32.129 19.341 ( -17.661 14.080 22.850) 32.129 20.823 ( 4.163 -8.567 -17.616) 20.026 20.823 ( 4.163 -8.567 17.616) 20.026 30.262 ( 1.267 3.500 -13.494) 13.998 30.262 ( 1.267 3.500 13.494) 13.998 30.461 ( 8.035 -3.704 -18.053) 20.105 30.461 ( 8.035 -3.704 18.053) 20.105 32.246 ( -14.157 9.591 -12.985) 21.471 32.246 ( -14.157 9.591 12.985) 21.471 33.279 ( 1.310 -3.365 -31.640) 31.846 33.279 ( 1.310 -3.365 31.640) 31.846 36.016 ( -25.140 -1.852 -15.582) 29.635 36.016 ( -25.140 -1.852 15.582) 29.635 38.544 ( 4.844 -3.691 -12.031) 13.484 38.544 ( 4.844 -3.691 12.031) 13.484 41.940 ( 3.307 4.084 -14.160) 15.104 41.940 ( 3.307 4.084 14.160) 15.104 42.771 ( 8.169 -3.166 -8.581) 12.264 42.771 ( 8.169 -3.166 8.581) 12.264 ======================= Grid point 589 (178/180) ======================= q-point: ( 0.27 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.468 ( 0.169 3.755 -14.749) 15.221 4.468 ( 0.169 3.755 14.749) 15.221 4.791 ( 4.280 -0.586 -18.546) 19.043 4.791 ( 4.280 -0.586 18.546) 19.043 5.297 ( -17.064 17.585 -17.487) 30.103 5.297 ( -17.064 17.585 17.487) 30.103 5.912 ( -15.082 -22.320 -17.065) 31.888 5.912 ( -15.082 -22.320 17.065) 31.888 9.011 ( 13.074 10.969 -12.479) 21.142 9.011 ( 13.074 10.969 12.479) 21.142 9.227 ( 8.828 -8.916 -7.212) 14.473 9.227 ( 8.828 -8.916 7.212) 14.473 14.457 ( 17.964 3.135 -3.323) 18.535 14.457 ( 17.964 3.135 3.323) 18.535 17.160 ( 4.424 2.379 -21.009) 21.601 17.160 ( 4.424 2.379 21.009) 21.601 19.197 ( 7.862 7.537 -27.244) 29.341 19.197 ( 7.862 7.537 27.244) 29.341 20.859 ( -0.836 -4.252 -17.899) 18.416 20.859 ( -0.836 -4.252 17.899) 18.416 30.278 ( 0.482 2.957 -13.615) 13.941 30.278 ( 0.482 2.957 13.615) 13.941 30.623 ( 6.769 -3.565 -20.646) 22.018 30.623 ( 6.769 -3.565 20.646) 22.018 31.975 ( -10.919 3.173 -10.868) 15.729 31.975 ( -10.919 3.173 10.868) 15.729 33.199 ( -10.243 0.021 -33.457) 34.990 33.199 ( -10.243 0.021 33.457) 34.990 35.761 ( 1.192 -0.299 -8.297) 8.388 35.761 ( 1.192 -0.299 8.297) 8.388 38.417 ( -16.068 -1.826 -13.886) 21.315 38.417 ( -16.068 -1.826 13.886) 21.315 42.112 ( 12.492 1.652 -13.939) 18.790 42.112 ( 12.492 1.652 13.939) 18.790 42.891 ( 3.539 -2.090 -9.059) 9.948 42.891 ( 3.539 -2.090 9.059) 9.948 ======================= Grid point 591 (179/180) ======================= q-point: ( 0.36 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.492 ( 2.340 6.289 -16.713) 18.010 4.492 ( 2.340 6.289 16.713) 18.010 4.899 ( 5.793 -2.467 -12.995) 14.440 4.899 ( 5.793 -2.467 12.994) 14.440 4.978 ( -13.283 12.836 -16.485) 24.758 4.978 ( -13.283 12.837 16.485) 24.759 5.600 ( -15.229 -20.999 -17.323) 31.193 5.600 ( -15.229 -20.999 17.323) 31.193 9.246 ( 9.716 7.495 -9.209) 15.342 9.246 ( 9.716 7.495 9.209) 15.342 9.376 ( 5.438 -4.502 -5.542) 8.975 9.376 ( 5.438 -4.502 5.542) 8.975 14.928 ( 27.561 3.642 -11.014) 29.903 14.928 ( 27.561 3.642 11.014) 29.903 16.879 ( -26.722 4.252 -21.257) 34.410 16.879 ( -26.722 4.252 21.257) 34.410 19.610 ( 27.371 3.251 -27.951) 39.256 19.610 ( 27.371 3.251 27.951) 39.256 20.780 ( -7.215 -1.701 -19.504) 20.866 20.780 ( -7.215 -1.701 19.504) 20.866 30.301 ( 2.327 1.528 -14.972) 15.229 30.301 ( 2.327 1.528 14.972) 15.229 30.678 ( -2.330 -3.213 -23.490) 23.823 30.678 ( -2.330 -3.213 23.490) 23.823 31.876 ( 2.647 0.583 -19.191) 19.382 31.876 ( 2.647 0.583 19.191) 19.382 32.880 ( -19.668 0.287 -30.549) 36.334 32.880 ( -19.668 0.287 30.549) 36.334 36.033 ( 23.439 1.018 -5.607) 24.122 36.033 ( 23.439 1.018 5.607) 24.122 37.951 ( -28.366 -0.259 -16.663) 32.899 37.951 ( -28.366 -0.259 16.663) 32.899 42.393 ( 14.081 0.172 -12.831) 19.051 42.393 ( 14.081 0.172 12.831) 19.051 42.913 ( -1.455 -1.514 -9.823) 10.045 42.913 ( -1.455 -1.514 9.823) 10.045 ======================= Grid point 593 (180/180) ======================= q-point: ( 0.45 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.571 ( 5.595 9.841 -18.402) 21.605 4.571 ( 5.595 9.841 18.402) 21.605 4.727 ( -9.861 13.576 -19.233) 25.524 4.727 ( -9.861 13.576 19.233) 25.524 5.073 ( 9.939 -12.046 -17.881) 23.740 5.073 ( 9.939 -12.046 17.881) 23.740 5.308 ( -13.159 -17.325 -17.297) 27.793 5.308 ( -13.159 -17.325 17.297) 27.793 9.396 ( 4.798 3.713 -6.625) 8.984 9.396 ( 4.798 3.713 6.625) 8.984 9.438 ( 0.573 -0.297 -5.236) 5.276 9.438 ( 0.573 -0.297 5.236) 5.276 15.549 ( 32.911 4.014 -16.945) 37.234 15.549 ( 32.911 4.014 16.945) 37.234 16.238 ( -34.065 4.304 -20.297) 39.886 16.238 ( -34.065 4.304 20.297) 39.886 20.152 ( 24.020 1.480 -25.298) 34.916 20.152 ( 24.020 1.480 25.298) 34.916 20.554 ( -15.344 0.066 -22.160) 26.954 20.554 ( -15.344 0.066 22.160) 26.954 30.389 ( 6.472 -0.399 -18.405) 19.514 30.389 ( 6.472 -0.399 18.405) 19.514 30.550 ( -8.558 -2.161 -22.444) 24.118 30.550 ( -8.558 -2.161 22.444) 24.118 32.076 ( 15.634 -0.091 -25.850) 30.210 32.076 ( 15.634 -0.091 25.850) 30.210 32.457 ( -20.777 -0.023 -28.270) 35.084 32.457 ( -20.777 -0.023 28.270) 35.084 36.624 ( 32.866 1.287 -13.616) 35.598 36.624 ( 32.866 1.287 13.616) 35.598 37.311 ( -33.647 0.781 -17.035) 37.721 37.311 ( -33.646 0.781 17.035) 37.721 42.653 ( 11.045 -0.617 -11.636) 16.055 42.653 ( 11.045 -0.617 11.636) 16.055 42.832 ( -6.432 -1.092 -10.647) 12.487 42.832 ( -6.432 -1.092 10.647) 12.487 =================== 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 10.0 211.948 363.003 406.067 0.000 0.000 0.000 3/35640 20.0 585.583 597.007 1016.822 0.000 0.000 0.000 3/35640 30.0 400.982 345.122 501.152 0.000 0.000 0.000 3/35640 40.0 247.333 196.427 255.781 0.000 0.000 0.000 3/35640 50.0 163.081 126.770 160.192 0.000 0.000 0.000 3/35640 60.0 116.737 90.800 114.568 0.000 0.000 0.000 3/35640 70.0 89.620 70.152 89.238 0.000 0.000 0.000 3/35640 80.0 72.505 57.190 73.544 0.000 0.000 0.000 3/35640 90.0 60.946 48.434 62.972 0.000 0.000 0.000 3/35640 100.0 52.690 42.158 55.367 0.000 0.000 0.000 3/35640 110.0 46.520 37.438 49.602 0.000 0.000 0.000 3/35640 120.0 41.739 33.748 45.050 0.000 0.000 0.000 3/35640 130.0 37.922 30.774 41.339 0.000 0.000 0.000 3/35640 140.0 34.800 28.317 38.238 0.000 0.000 0.000 3/35640 150.0 32.192 26.245 35.596 0.000 0.000 0.000 3/35640 160.0 29.973 24.469 33.307 0.000 0.000 0.000 3/35640 170.0 28.058 22.925 31.300 0.000 0.000 0.000 3/35640 180.0 26.382 21.565 29.519 0.000 0.000 0.000 3/35640 190.0 24.898 20.357 27.925 0.000 0.000 0.000 3/35640 200.0 23.571 19.273 26.487 0.000 0.000 0.000 3/35640 210.0 22.376 18.293 25.180 0.000 0.000 0.000 3/35640 220.0 21.290 17.402 23.986 0.000 0.000 0.000 3/35640 230.0 20.297 16.586 22.890 0.000 0.000 0.000 3/35640 240.0 19.386 15.836 21.879 0.000 0.000 0.000 3/35640 250.0 18.546 15.144 20.943 0.000 0.000 0.000 3/35640 260.0 17.768 14.503 20.074 0.000 0.000 0.000 3/35640 270.0 17.045 13.908 19.265 0.000 0.000 0.000 3/35640 280.0 16.372 13.353 18.510 0.000 0.000 0.000 3/35640 290.0 15.744 12.835 17.804 0.000 0.000 0.000 3/35640 300.0 15.156 12.351 17.143 0.000 0.000 0.000 3/35640 310.0 14.606 11.897 16.523 0.000 0.000 0.000 3/35640 320.0 14.089 11.471 15.940 0.000 0.000 0.000 3/35640 330.0 13.603 11.071 15.392 0.000 0.000 0.000 3/35640 340.0 13.146 10.695 14.876 0.000 0.000 0.000 3/35640 350.0 12.716 10.340 14.389 0.000 0.000 0.000 3/35640 360.0 12.309 10.005 13.930 0.000 0.000 0.000 3/35640 370.0 11.926 9.690 13.495 0.000 0.000 0.000 3/35640 380.0 11.563 9.391 13.085 0.000 0.000 0.000 3/35640 390.0 11.220 9.109 12.696 0.000 0.000 0.000 3/35640 400.0 10.894 8.841 12.328 0.000 0.000 0.000 3/35640 410.0 10.586 8.588 11.978 0.000 0.000 0.000 3/35640 420.0 10.293 8.347 11.647 0.000 0.000 0.000 3/35640 430.0 10.015 8.119 11.332 0.000 0.000 0.000 3/35640 440.0 9.751 7.902 11.032 0.000 0.000 0.000 3/35640 450.0 9.499 7.696 10.747 0.000 0.000 0.000 3/35640 460.0 9.260 7.499 10.475 0.000 0.000 0.000 3/35640 470.0 9.031 7.312 10.216 0.000 0.000 0.000 3/35640 480.0 8.813 7.133 9.969 0.000 0.000 0.000 3/35640 490.0 8.605 6.963 9.733 0.000 0.000 0.000 3/35640 500.0 8.406 6.800 9.508 0.000 0.000 0.000 3/35640 510.0 8.216 6.645 9.292 0.000 0.000 0.000 3/35640 520.0 8.034 6.496 9.085 0.000 0.000 0.000 3/35640 530.0 7.860 6.353 8.888 0.000 0.000 0.000 3/35640 540.0 7.693 6.217 8.698 0.000 0.000 0.000 3/35640 550.0 7.533 6.086 8.517 0.000 0.000 0.000 3/35640 560.0 7.379 5.960 8.342 0.000 0.000 0.000 3/35640 570.0 7.231 5.839 8.175 0.000 0.000 0.000 3/35640 580.0 7.089 5.723 8.013 0.000 0.000 0.000 3/35640 590.0 6.952 5.612 7.859 0.000 0.000 0.000 3/35640 600.0 6.821 5.505 7.709 0.000 0.000 0.000 3/35640 610.0 6.694 5.401 7.566 0.000 0.000 0.000 3/35640 620.0 6.572 5.302 7.428 0.000 0.000 0.000 3/35640 630.0 6.454 5.206 7.294 0.000 0.000 0.000 3/35640 640.0 6.341 5.114 7.165 0.000 0.000 0.000 3/35640 650.0 6.231 5.024 7.041 0.000 0.000 0.000 3/35640 660.0 6.125 4.938 6.921 0.000 0.000 0.000 3/35640 670.0 6.023 4.855 6.805 0.000 0.000 0.000 3/35640 680.0 5.924 4.774 6.693 0.000 0.000 0.000 3/35640 690.0 5.828 4.697 6.585 0.000 0.000 0.000 3/35640 700.0 5.736 4.621 6.480 0.000 0.000 0.000 3/35640 710.0 5.646 4.548 6.378 0.000 0.000 0.000 3/35640 720.0 5.559 4.478 6.280 0.000 0.000 0.000 3/35640 730.0 5.475 4.409 6.184 0.000 0.000 0.000 3/35640 740.0 5.393 4.343 6.092 0.000 0.000 0.000 3/35640 750.0 5.314 4.278 6.002 0.000 0.000 0.000 3/35640 760.0 5.237 4.216 5.915 0.000 0.000 0.000 3/35640 770.0 5.162 4.155 5.830 0.000 0.000 0.000 3/35640 780.0 5.089 4.096 5.748 0.000 0.000 0.000 3/35640 790.0 5.019 4.039 5.668 0.000 0.000 0.000 3/35640 800.0 4.950 3.984 5.590 0.000 0.000 0.000 3/35640 810.0 4.883 3.930 5.515 0.000 0.000 0.000 3/35640 820.0 4.819 3.877 5.441 0.000 0.000 0.000 3/35640 830.0 4.755 3.826 5.370 0.000 0.000 0.000 3/35640 840.0 4.694 3.776 5.300 0.000 0.000 0.000 3/35640 850.0 4.634 3.727 5.232 0.000 0.000 0.000 3/35640 860.0 4.576 3.680 5.166 0.000 0.000 0.000 3/35640 870.0 4.519 3.634 5.102 0.000 0.000 0.000 3/35640 880.0 4.463 3.589 5.039 0.000 0.000 0.000 3/35640 890.0 4.409 3.545 4.978 0.000 0.000 0.000 3/35640 900.0 4.356 3.503 4.918 0.000 0.000 0.000 3/35640 910.0 4.305 3.461 4.860 0.000 0.000 0.000 3/35640 920.0 4.255 3.420 4.803 0.000 0.000 0.000 3/35640 930.0 4.206 3.381 4.748 0.000 0.000 0.000 3/35640 940.0 4.158 3.342 4.693 0.000 0.000 0.000 3/35640 950.0 4.111 3.304 4.640 0.000 0.000 0.000 3/35640 960.0 4.065 3.267 4.589 0.000 0.000 0.000 3/35640 970.0 4.020 3.231 4.538 0.000 0.000 0.000 3/35640 980.0 3.976 3.195 4.488 0.000 0.000 0.000 3/35640 990.0 3.934 3.161 4.440 0.000 0.000 0.000 3/35640 1000.0 3.892 3.127 4.393 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 2026-01-08 18:26:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|