----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:47:34]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.300628189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.712481329999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.949378480000000 Atomic positions (fractional): *1 S 0.50441604316198 0.84997065974380 0.50000000000000 32.065 2 S 0.49558395683802 0.15002934025620 0.50000000000000 32.065 3 S 0.00441604316198 0.65002934025620 0.00000000000000 32.065 4 S 0.99558395683802 0.34997065974380 0.00000000000000 32.065 *5 In 0.38319693487010 0.62030876106030 0.50000000000000 114.818 6 In 0.61680306512990 0.37969123893970 0.50000000000000 114.818 7 In 0.88319693487010 0.87969123893970 0.00000000000000 114.818 8 In 0.11680306512990 0.12030876106030 0.00000000000000 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.300628189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.712481329999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.949378480000000 Atomic positions (fractional): *1 S 0.50441604316198 0.84997065974380 0.50000000000000 32.065 > 1 2 S 0.49558395683802 0.15002934025620 0.50000000000000 32.065 > 2 3 S 0.00441604316198 0.65002934025620 0.00000000000000 32.065 > 3 4 S 0.99558395683802 0.34997065974380 0.00000000000000 32.065 > 4 *5 In 0.38319693487010 0.62030876106030 0.50000000000000 114.818 > 5 6 In 0.61680306512990 0.37969123893970 0.50000000000000 114.818 > 6 7 In 0.88319693487010 0.87969123893970 0.00000000000000 114.818 > 7 8 In 0.11680306512990 0.12030876106030 0.00000000000000 114.818 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.901884569999998 0.000000000000000 0.000000000000000 b 0.000000000000000 21.424962659999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.848135440000000 Atomic positions (fractional): *1 S 0.16813868105399 0.42498532987190 0.16666666666667 32.065 > 1 2 S 0.50147201438733 0.42498532987190 0.16666666666667 32.065 > 1 3 S 0.83480534772066 0.42498532987190 0.16666666666667 32.065 > 1 4 S 0.16813868105399 0.92498532987190 0.16666666666667 32.065 > 1 5 S 0.50147201438733 0.92498532987190 0.16666666666667 32.065 > 1 6 S 0.83480534772066 0.92498532987190 0.16666666666667 32.065 > 1 7 S 0.16813868105399 0.42498532987190 0.50000000000000 32.065 > 1 8 S 0.50147201438733 0.42498532987190 0.50000000000000 32.065 > 1 9 S 0.83480534772066 0.42498532987190 0.50000000000000 32.065 > 1 10 S 0.16813868105399 0.92498532987190 0.50000000000000 32.065 > 1 11 S 0.50147201438733 0.92498532987190 0.50000000000000 32.065 > 1 12 S 0.83480534772066 0.92498532987190 0.50000000000000 32.065 > 1 13 S 0.16813868105399 0.42498532987190 0.83333333333333 32.065 > 1 14 S 0.50147201438733 0.42498532987190 0.83333333333333 32.065 > 1 15 S 0.83480534772066 0.42498532987190 0.83333333333333 32.065 > 1 16 S 0.16813868105399 0.92498532987190 0.83333333333333 32.065 > 1 17 S 0.50147201438733 0.92498532987190 0.83333333333333 32.065 > 1 18 S 0.83480534772066 0.92498532987190 0.83333333333333 32.065 > 1 19 S 0.16519465227934 0.07501467012810 0.16666666666667 32.065 > 2 20 S 0.49852798561267 0.07501467012810 0.16666666666667 32.065 > 2 21 S 0.83186131894601 0.07501467012810 0.16666666666667 32.065 > 2 22 S 0.16519465227934 0.57501467012810 0.16666666666667 32.065 > 2 23 S 0.49852798561267 0.57501467012810 0.16666666666667 32.065 > 2 24 S 0.83186131894601 0.57501467012810 0.16666666666667 32.065 > 2 25 S 0.16519465227934 0.07501467012810 0.50000000000000 32.065 > 2 26 S 0.49852798561267 0.07501467012810 0.50000000000000 32.065 > 2 27 S 0.83186131894601 0.07501467012810 0.50000000000000 32.065 > 2 28 S 0.16519465227934 0.57501467012810 0.50000000000000 32.065 > 2 29 S 0.49852798561267 0.57501467012810 0.50000000000000 32.065 > 2 30 S 0.83186131894601 0.57501467012810 0.50000000000000 32.065 > 2 31 S 0.16519465227934 0.07501467012810 0.83333333333333 32.065 > 2 32 S 0.49852798561267 0.07501467012810 0.83333333333333 32.065 > 2 33 S 0.83186131894601 0.07501467012810 0.83333333333333 32.065 > 2 34 S 0.16519465227934 0.57501467012810 0.83333333333333 32.065 > 2 35 S 0.49852798561267 0.57501467012810 0.83333333333333 32.065 > 2 36 S 0.83186131894601 0.57501467012810 0.83333333333333 32.065 > 2 37 S 0.00147201438733 0.32501467012810 0.00000000000000 32.065 > 3 38 S 0.33480534772066 0.32501467012810 0.00000000000000 32.065 > 3 39 S 0.66813868105399 0.32501467012810 0.00000000000000 32.065 > 3 40 S 0.00147201438733 0.82501467012810 0.00000000000000 32.065 > 3 41 S 0.33480534772066 0.82501467012810 0.00000000000000 32.065 > 3 42 S 0.66813868105399 0.82501467012810 0.00000000000000 32.065 > 3 43 S 0.00147201438733 0.32501467012810 0.33333333333333 32.065 > 3 44 S 0.33480534772066 0.32501467012810 0.33333333333333 32.065 > 3 45 S 0.66813868105399 0.32501467012810 0.33333333333333 32.065 > 3 46 S 0.00147201438733 0.82501467012810 0.33333333333333 32.065 > 3 47 S 0.33480534772066 0.82501467012810 0.33333333333333 32.065 > 3 48 S 0.66813868105399 0.82501467012810 0.33333333333333 32.065 > 3 49 S 0.00147201438733 0.32501467012810 0.66666666666667 32.065 > 3 50 S 0.33480534772066 0.32501467012810 0.66666666666667 32.065 > 3 51 S 0.66813868105399 0.32501467012810 0.66666666666667 32.065 > 3 52 S 0.00147201438733 0.82501467012810 0.66666666666667 32.065 > 3 53 S 0.33480534772066 0.82501467012810 0.66666666666667 32.065 > 3 54 S 0.66813868105399 0.82501467012810 0.66666666666667 32.065 > 3 55 S 0.33186131894601 0.17498532987190 0.00000000000000 32.065 > 4 56 S 0.66519465227934 0.17498532987190 0.00000000000000 32.065 > 4 57 S 0.99852798561267 0.17498532987190 0.00000000000000 32.065 > 4 58 S 0.33186131894601 0.67498532987190 0.00000000000000 32.065 > 4 59 S 0.66519465227934 0.67498532987190 0.00000000000000 32.065 > 4 60 S 0.99852798561267 0.67498532987190 0.00000000000000 32.065 > 4 61 S 0.33186131894601 0.17498532987190 0.33333333333333 32.065 > 4 62 S 0.66519465227934 0.17498532987190 0.33333333333333 32.065 > 4 63 S 0.99852798561267 0.17498532987190 0.33333333333333 32.065 > 4 64 S 0.33186131894601 0.67498532987190 0.33333333333333 32.065 > 4 65 S 0.66519465227934 0.67498532987190 0.33333333333333 32.065 > 4 66 S 0.99852798561267 0.67498532987190 0.33333333333333 32.065 > 4 67 S 0.33186131894601 0.17498532987190 0.66666666666667 32.065 > 4 68 S 0.66519465227934 0.17498532987190 0.66666666666667 32.065 > 4 69 S 0.99852798561267 0.17498532987190 0.66666666666667 32.065 > 4 70 S 0.33186131894601 0.67498532987190 0.66666666666667 32.065 > 4 71 S 0.66519465227934 0.67498532987190 0.66666666666667 32.065 > 4 72 S 0.99852798561267 0.67498532987190 0.66666666666667 32.065 > 4 *73 In 0.12773231162337 0.31015438053015 0.16666666666667 114.818 > 5 74 In 0.46106564495670 0.31015438053015 0.16666666666667 114.818 > 5 75 In 0.79439897829003 0.31015438053015 0.16666666666667 114.818 > 5 76 In 0.12773231162337 0.81015438053015 0.16666666666667 114.818 > 5 77 In 0.46106564495670 0.81015438053015 0.16666666666667 114.818 > 5 78 In 0.79439897829003 0.81015438053015 0.16666666666667 114.818 > 5 79 In 0.12773231162337 0.31015438053015 0.50000000000000 114.818 > 5 80 In 0.46106564495670 0.31015438053015 0.50000000000000 114.818 > 5 81 In 0.79439897829003 0.31015438053015 0.50000000000000 114.818 > 5 82 In 0.12773231162337 0.81015438053015 0.50000000000000 114.818 > 5 83 In 0.46106564495670 0.81015438053015 0.50000000000000 114.818 > 5 84 In 0.79439897829003 0.81015438053015 0.50000000000000 114.818 > 5 85 In 0.12773231162337 0.31015438053015 0.83333333333333 114.818 > 5 86 In 0.46106564495670 0.31015438053015 0.83333333333333 114.818 > 5 87 In 0.79439897829003 0.31015438053015 0.83333333333333 114.818 > 5 88 In 0.12773231162337 0.81015438053015 0.83333333333333 114.818 > 5 89 In 0.46106564495670 0.81015438053015 0.83333333333333 114.818 > 5 90 In 0.79439897829003 0.81015438053015 0.83333333333333 114.818 > 5 91 In 0.20560102170997 0.18984561946985 0.16666666666667 114.818 > 6 92 In 0.53893435504330 0.18984561946985 0.16666666666667 114.818 > 6 93 In 0.87226768837663 0.18984561946985 0.16666666666667 114.818 > 6 94 In 0.20560102170997 0.68984561946985 0.16666666666667 114.818 > 6 95 In 0.53893435504330 0.68984561946985 0.16666666666667 114.818 > 6 96 In 0.87226768837663 0.68984561946985 0.16666666666667 114.818 > 6 97 In 0.20560102170997 0.18984561946985 0.50000000000000 114.818 > 6 98 In 0.53893435504330 0.18984561946985 0.50000000000000 114.818 > 6 99 In 0.87226768837663 0.18984561946985 0.50000000000000 114.818 > 6 100 In 0.20560102170997 0.68984561946985 0.50000000000000 114.818 > 6 101 In 0.53893435504330 0.68984561946985 0.50000000000000 114.818 > 6 102 In 0.87226768837663 0.68984561946985 0.50000000000000 114.818 > 6 103 In 0.20560102170997 0.18984561946985 0.83333333333333 114.818 > 6 104 In 0.53893435504330 0.18984561946985 0.83333333333333 114.818 > 6 105 In 0.87226768837663 0.18984561946985 0.83333333333333 114.818 > 6 106 In 0.20560102170997 0.68984561946985 0.83333333333333 114.818 > 6 107 In 0.53893435504330 0.68984561946985 0.83333333333333 114.818 > 6 108 In 0.87226768837663 0.68984561946985 0.83333333333333 114.818 > 6 109 In 0.29439897829003 0.43984561946985 0.00000000000000 114.818 > 7 110 In 0.62773231162337 0.43984561946985 0.00000000000000 114.818 > 7 111 In 0.96106564495670 0.43984561946985 0.00000000000000 114.818 > 7 112 In 0.29439897829003 0.93984561946985 0.00000000000000 114.818 > 7 113 In 0.62773231162337 0.93984561946985 0.00000000000000 114.818 > 7 114 In 0.96106564495670 0.93984561946985 0.00000000000000 114.818 > 7 115 In 0.29439897829003 0.43984561946985 0.33333333333333 114.818 > 7 116 In 0.62773231162337 0.43984561946985 0.33333333333333 114.818 > 7 117 In 0.96106564495670 0.43984561946985 0.33333333333333 114.818 > 7 118 In 0.29439897829003 0.93984561946985 0.33333333333333 114.818 > 7 119 In 0.62773231162337 0.93984561946985 0.33333333333333 114.818 > 7 120 In 0.96106564495670 0.93984561946985 0.33333333333333 114.818 > 7 121 In 0.29439897829003 0.43984561946985 0.66666666666667 114.818 > 7 122 In 0.62773231162337 0.43984561946985 0.66666666666667 114.818 > 7 123 In 0.96106564495670 0.43984561946985 0.66666666666667 114.818 > 7 124 In 0.29439897829003 0.93984561946985 0.66666666666667 114.818 > 7 125 In 0.62773231162337 0.93984561946985 0.66666666666667 114.818 > 7 126 In 0.96106564495670 0.93984561946985 0.66666666666667 114.818 > 7 127 In 0.03893435504330 0.06015438053015 0.00000000000000 114.818 > 8 128 In 0.37226768837663 0.06015438053015 0.00000000000000 114.818 > 8 129 In 0.70560102170997 0.06015438053015 0.00000000000000 114.818 > 8 130 In 0.03893435504330 0.56015438053015 0.00000000000000 114.818 > 8 131 In 0.37226768837663 0.56015438053015 0.00000000000000 114.818 > 8 132 In 0.70560102170997 0.56015438053015 0.00000000000000 114.818 > 8 133 In 0.03893435504330 0.06015438053015 0.33333333333333 114.818 > 8 134 In 0.37226768837663 0.06015438053015 0.33333333333333 114.818 > 8 135 In 0.70560102170997 0.06015438053015 0.33333333333333 114.818 > 8 136 In 0.03893435504330 0.56015438053015 0.33333333333333 114.818 > 8 137 In 0.37226768837663 0.56015438053015 0.33333333333333 114.818 > 8 138 In 0.70560102170997 0.56015438053015 0.33333333333333 114.818 > 8 139 In 0.03893435504330 0.06015438053015 0.66666666666667 114.818 > 8 140 In 0.37226768837663 0.06015438053015 0.66666666666667 114.818 > 8 141 In 0.70560102170997 0.06015438053015 0.66666666666667 114.818 > 8 142 In 0.03893435504330 0.56015438053015 0.66666666666667 114.818 > 8 143 In 0.37226768837663 0.56015438053015 0.66666666666667 114.818 > 8 144 In 0.70560102170997 0.56015438053015 0.66666666666667 114.818 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3493215 0.0000000 0.0000000 0.0000000 13.2611139 0.0000000 0.0000000 0.0000000 9.9807246 -------------------------- Born effective charges -------------------------- 1 S -2.6700129 -0.5833727 0.0000000 -0.3647714 -2.8040055 0.0000000 0.0000000 0.0000000 -3.0870479 2 S -2.6700129 -0.5833727 0.0000000 -0.3647714 -2.8040055 0.0000000 0.0000000 0.0000000 -3.0870479 3 S -2.6700129 0.5833727 0.0000000 0.3647714 -2.8040055 0.0000000 0.0000000 0.0000000 -3.0870479 4 S -2.6700129 0.5833727 0.0000000 0.3647714 -2.8040055 0.0000000 0.0000000 0.0000000 -3.0870479 5 In 2.6700129 0.4123640 0.0000000 -0.3082093 2.8040055 0.0000000 0.0000000 0.0000000 3.0870479 6 In 2.6700129 0.4123640 0.0000000 -0.3082093 2.8040055 0.0000000 0.0000000 0.0000000 3.0870479 7 In 2.6700129 -0.4123640 0.0000000 0.3082093 2.8040055 0.0000000 0.0000000 0.0000000 3.0870479 8 In 2.6700129 -0.4123640 0.0000000 0.3082093 2.8040055 0.0000000 0.0000000 0.0000000 3.0870479 ---------------------------------------------------------------------------- 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: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 732 Number of blocks in projector: 732 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: 192 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (732, 722), data: False |-- (96, 96), data: True |-- (96, 96), data: True |-- (116, 114), data: True |-- (116, 114), data: True |-- (116, 114), data: True |-- (192, 188), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.874 Solver_block: 160 / 160 - Time: 0.581 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.474 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 732 Number of blocks in projector: 732 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: 192 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (732, 722), data: False |-- (96, 96), data: True |-- (96, 96), data: True |-- (116, 114), data: True |-- (116, 114), data: True |-- (116, 114), data: True |-- (192, 188), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:47:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:47:45]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.300628189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.712481329999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.949378480000000 Atomic positions (fractional): 1 S 0.50441604316198 0.84997065974380 0.50000000000000 32.065 2 S 0.49558395683802 0.15002934025620 0.50000000000000 32.065 3 S 0.00441604316198 0.65002934025620 0.00000000000000 32.065 4 S 0.99558395683802 0.34997065974380 0.00000000000000 32.065 5 In 0.38319693487010 0.62030876106030 0.50000000000000 114.818 6 In 0.61680306512990 0.37969123893970 0.50000000000000 114.818 7 In 0.88319693487010 0.87969123893970 0.00000000000000 114.818 8 In 0.11680306512990 0.12030876106030 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.901884569999998 0.000000000000000 0.000000000000000 b 0.000000000000000 21.424962659999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.848135440000000 Atomic positions (fractional): 1 S 0.16813868105399 0.42498532987190 0.16666666666667 32.065 > 1 2 S 0.50147201438733 0.42498532987190 0.16666666666667 32.065 > 1 3 S 0.83480534772066 0.42498532987190 0.16666666666667 32.065 > 1 4 S 0.16813868105399 0.92498532987190 0.16666666666667 32.065 > 1 5 S 0.50147201438733 0.92498532987190 0.16666666666667 32.065 > 1 6 S 0.83480534772066 0.92498532987190 0.16666666666667 32.065 > 1 7 S 0.16813868105399 0.42498532987190 0.50000000000000 32.065 > 1 8 S 0.50147201438733 0.42498532987190 0.50000000000000 32.065 > 1 9 S 0.83480534772066 0.42498532987190 0.50000000000000 32.065 > 1 10 S 0.16813868105399 0.92498532987190 0.50000000000000 32.065 > 1 11 S 0.50147201438733 0.92498532987190 0.50000000000000 32.065 > 1 12 S 0.83480534772066 0.92498532987190 0.50000000000000 32.065 > 1 13 S 0.16813868105399 0.42498532987190 0.83333333333333 32.065 > 1 14 S 0.50147201438733 0.42498532987190 0.83333333333333 32.065 > 1 15 S 0.83480534772066 0.42498532987190 0.83333333333333 32.065 > 1 16 S 0.16813868105399 0.92498532987190 0.83333333333333 32.065 > 1 17 S 0.50147201438733 0.92498532987190 0.83333333333333 32.065 > 1 18 S 0.83480534772066 0.92498532987190 0.83333333333333 32.065 > 1 19 S 0.16519465227934 0.07501467012810 0.16666666666667 32.065 > 19 20 S 0.49852798561267 0.07501467012810 0.16666666666667 32.065 > 19 21 S 0.83186131894601 0.07501467012810 0.16666666666667 32.065 > 19 22 S 0.16519465227934 0.57501467012810 0.16666666666667 32.065 > 19 23 S 0.49852798561267 0.57501467012810 0.16666666666667 32.065 > 19 24 S 0.83186131894601 0.57501467012810 0.16666666666667 32.065 > 19 25 S 0.16519465227934 0.07501467012810 0.50000000000000 32.065 > 19 26 S 0.49852798561267 0.07501467012810 0.50000000000000 32.065 > 19 27 S 0.83186131894601 0.07501467012810 0.50000000000000 32.065 > 19 28 S 0.16519465227934 0.57501467012810 0.50000000000000 32.065 > 19 29 S 0.49852798561267 0.57501467012810 0.50000000000000 32.065 > 19 30 S 0.83186131894601 0.57501467012810 0.50000000000000 32.065 > 19 31 S 0.16519465227934 0.07501467012810 0.83333333333333 32.065 > 19 32 S 0.49852798561267 0.07501467012810 0.83333333333333 32.065 > 19 33 S 0.83186131894601 0.07501467012810 0.83333333333333 32.065 > 19 34 S 0.16519465227934 0.57501467012810 0.83333333333333 32.065 > 19 35 S 0.49852798561267 0.57501467012810 0.83333333333333 32.065 > 19 36 S 0.83186131894601 0.57501467012810 0.83333333333333 32.065 > 19 37 S 0.00147201438733 0.32501467012810 0.00000000000000 32.065 > 37 38 S 0.33480534772066 0.32501467012810 0.00000000000000 32.065 > 37 39 S 0.66813868105399 0.32501467012810 0.00000000000000 32.065 > 37 40 S 0.00147201438733 0.82501467012810 0.00000000000000 32.065 > 37 41 S 0.33480534772066 0.82501467012810 0.00000000000000 32.065 > 37 42 S 0.66813868105399 0.82501467012810 0.00000000000000 32.065 > 37 43 S 0.00147201438733 0.32501467012810 0.33333333333333 32.065 > 37 44 S 0.33480534772066 0.32501467012810 0.33333333333333 32.065 > 37 45 S 0.66813868105399 0.32501467012810 0.33333333333333 32.065 > 37 46 S 0.00147201438733 0.82501467012810 0.33333333333333 32.065 > 37 47 S 0.33480534772066 0.82501467012810 0.33333333333333 32.065 > 37 48 S 0.66813868105399 0.82501467012810 0.33333333333333 32.065 > 37 49 S 0.00147201438733 0.32501467012810 0.66666666666667 32.065 > 37 50 S 0.33480534772066 0.32501467012810 0.66666666666667 32.065 > 37 51 S 0.66813868105399 0.32501467012810 0.66666666666667 32.065 > 37 52 S 0.00147201438733 0.82501467012810 0.66666666666667 32.065 > 37 53 S 0.33480534772066 0.82501467012810 0.66666666666667 32.065 > 37 54 S 0.66813868105399 0.82501467012810 0.66666666666667 32.065 > 37 55 S 0.33186131894601 0.17498532987190 0.00000000000000 32.065 > 55 56 S 0.66519465227934 0.17498532987190 0.00000000000000 32.065 > 55 57 S 0.99852798561267 0.17498532987190 0.00000000000000 32.065 > 55 58 S 0.33186131894601 0.67498532987190 0.00000000000000 32.065 > 55 59 S 0.66519465227934 0.67498532987190 0.00000000000000 32.065 > 55 60 S 0.99852798561267 0.67498532987190 0.00000000000000 32.065 > 55 61 S 0.33186131894601 0.17498532987190 0.33333333333333 32.065 > 55 62 S 0.66519465227934 0.17498532987190 0.33333333333333 32.065 > 55 63 S 0.99852798561267 0.17498532987190 0.33333333333333 32.065 > 55 64 S 0.33186131894601 0.67498532987190 0.33333333333333 32.065 > 55 65 S 0.66519465227934 0.67498532987190 0.33333333333333 32.065 > 55 66 S 0.99852798561267 0.67498532987190 0.33333333333333 32.065 > 55 67 S 0.33186131894601 0.17498532987190 0.66666666666667 32.065 > 55 68 S 0.66519465227934 0.17498532987190 0.66666666666667 32.065 > 55 69 S 0.99852798561267 0.17498532987190 0.66666666666667 32.065 > 55 70 S 0.33186131894601 0.67498532987190 0.66666666666667 32.065 > 55 71 S 0.66519465227934 0.67498532987190 0.66666666666667 32.065 > 55 72 S 0.99852798561267 0.67498532987190 0.66666666666667 32.065 > 55 73 In 0.12773231162337 0.31015438053015 0.16666666666667 114.818 > 73 74 In 0.46106564495670 0.31015438053015 0.16666666666667 114.818 > 73 75 In 0.79439897829003 0.31015438053015 0.16666666666667 114.818 > 73 76 In 0.12773231162337 0.81015438053015 0.16666666666667 114.818 > 73 77 In 0.46106564495670 0.81015438053015 0.16666666666667 114.818 > 73 78 In 0.79439897829003 0.81015438053015 0.16666666666667 114.818 > 73 79 In 0.12773231162337 0.31015438053015 0.50000000000000 114.818 > 73 80 In 0.46106564495670 0.31015438053015 0.50000000000000 114.818 > 73 81 In 0.79439897829003 0.31015438053015 0.50000000000000 114.818 > 73 82 In 0.12773231162337 0.81015438053015 0.50000000000000 114.818 > 73 83 In 0.46106564495670 0.81015438053015 0.50000000000000 114.818 > 73 84 In 0.79439897829003 0.81015438053015 0.50000000000000 114.818 > 73 85 In 0.12773231162337 0.31015438053015 0.83333333333333 114.818 > 73 86 In 0.46106564495670 0.31015438053015 0.83333333333333 114.818 > 73 87 In 0.79439897829003 0.31015438053015 0.83333333333333 114.818 > 73 88 In 0.12773231162337 0.81015438053015 0.83333333333333 114.818 > 73 89 In 0.46106564495670 0.81015438053015 0.83333333333333 114.818 > 73 90 In 0.79439897829003 0.81015438053015 0.83333333333333 114.818 > 73 91 In 0.20560102170997 0.18984561946985 0.16666666666667 114.818 > 91 92 In 0.53893435504330 0.18984561946985 0.16666666666667 114.818 > 91 93 In 0.87226768837663 0.18984561946985 0.16666666666667 114.818 > 91 94 In 0.20560102170997 0.68984561946985 0.16666666666667 114.818 > 91 95 In 0.53893435504330 0.68984561946985 0.16666666666667 114.818 > 91 96 In 0.87226768837663 0.68984561946985 0.16666666666667 114.818 > 91 97 In 0.20560102170997 0.18984561946985 0.50000000000000 114.818 > 91 98 In 0.53893435504330 0.18984561946985 0.50000000000000 114.818 > 91 99 In 0.87226768837663 0.18984561946985 0.50000000000000 114.818 > 91 100 In 0.20560102170997 0.68984561946985 0.50000000000000 114.818 > 91 101 In 0.53893435504330 0.68984561946985 0.50000000000000 114.818 > 91 102 In 0.87226768837663 0.68984561946985 0.50000000000000 114.818 > 91 103 In 0.20560102170997 0.18984561946985 0.83333333333333 114.818 > 91 104 In 0.53893435504330 0.18984561946985 0.83333333333333 114.818 > 91 105 In 0.87226768837663 0.18984561946985 0.83333333333333 114.818 > 91 106 In 0.20560102170997 0.68984561946985 0.83333333333333 114.818 > 91 107 In 0.53893435504330 0.68984561946985 0.83333333333333 114.818 > 91 108 In 0.87226768837663 0.68984561946985 0.83333333333333 114.818 > 91 109 In 0.29439897829003 0.43984561946985 0.00000000000000 114.818 > 109 110 In 0.62773231162337 0.43984561946985 0.00000000000000 114.818 > 109 111 In 0.96106564495670 0.43984561946985 0.00000000000000 114.818 > 109 112 In 0.29439897829003 0.93984561946985 0.00000000000000 114.818 > 109 113 In 0.62773231162337 0.93984561946985 0.00000000000000 114.818 > 109 114 In 0.96106564495670 0.93984561946985 0.00000000000000 114.818 > 109 115 In 0.29439897829003 0.43984561946985 0.33333333333333 114.818 > 109 116 In 0.62773231162337 0.43984561946985 0.33333333333333 114.818 > 109 117 In 0.96106564495670 0.43984561946985 0.33333333333333 114.818 > 109 118 In 0.29439897829003 0.93984561946985 0.33333333333333 114.818 > 109 119 In 0.62773231162337 0.93984561946985 0.33333333333333 114.818 > 109 120 In 0.96106564495670 0.93984561946985 0.33333333333333 114.818 > 109 121 In 0.29439897829003 0.43984561946985 0.66666666666667 114.818 > 109 122 In 0.62773231162337 0.43984561946985 0.66666666666667 114.818 > 109 123 In 0.96106564495670 0.43984561946985 0.66666666666667 114.818 > 109 124 In 0.29439897829003 0.93984561946985 0.66666666666667 114.818 > 109 125 In 0.62773231162337 0.93984561946985 0.66666666666667 114.818 > 109 126 In 0.96106564495670 0.93984561946985 0.66666666666667 114.818 > 109 127 In 0.03893435504330 0.06015438053015 0.00000000000000 114.818 > 127 128 In 0.37226768837663 0.06015438053015 0.00000000000000 114.818 > 127 129 In 0.70560102170997 0.06015438053015 0.00000000000000 114.818 > 127 130 In 0.03893435504330 0.56015438053015 0.00000000000000 114.818 > 127 131 In 0.37226768837663 0.56015438053015 0.00000000000000 114.818 > 127 132 In 0.70560102170997 0.56015438053015 0.00000000000000 114.818 > 127 133 In 0.03893435504330 0.06015438053015 0.33333333333333 114.818 > 127 134 In 0.37226768837663 0.06015438053015 0.33333333333333 114.818 > 127 135 In 0.70560102170997 0.06015438053015 0.33333333333333 114.818 > 127 136 In 0.03893435504330 0.56015438053015 0.33333333333333 114.818 > 127 137 In 0.37226768837663 0.56015438053015 0.33333333333333 114.818 > 127 138 In 0.70560102170997 0.56015438053015 0.33333333333333 114.818 > 127 139 In 0.03893435504330 0.06015438053015 0.66666666666667 114.818 > 127 140 In 0.37226768837663 0.06015438053015 0.66666666666667 114.818 > 127 141 In 0.70560102170997 0.06015438053015 0.66666666666667 114.818 > 127 142 In 0.03893435504330 0.56015438053015 0.66666666666667 114.818 > 127 143 In 0.37226768837663 0.56015438053015 0.66666666666667 114.818 > 127 144 In 0.70560102170997 0.56015438053015 0.66666666666667 114.818 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3493215 0.0000000 0.0000000 0.0000000 13.2611139 0.0000000 0.0000000 0.0000000 9.9807246 -------------------------- Born effective charges -------------------------- 1 S -2.6700129 -0.5833727 0.0000000 -0.3647714 -2.8040055 0.0000000 0.0000000 0.0000000 -3.0870479 2 S -2.6700129 -0.5833727 0.0000000 -0.3647714 -2.8040055 0.0000000 0.0000000 0.0000000 -3.0870479 3 S -2.6700129 0.5833727 0.0000000 0.3647714 -2.8040055 0.0000000 0.0000000 0.0000000 -3.0870479 4 S -2.6700129 0.5833727 0.0000000 0.3647714 -2.8040055 0.0000000 0.0000000 0.0000000 -3.0870479 5 In 2.6700129 0.4123640 0.0000000 -0.3082093 2.8040055 0.0000000 0.0000000 0.0000000 3.0870479 6 In 2.6700129 0.4123640 0.0000000 -0.3082093 2.8040055 0.0000000 0.0000000 0.0000000 3.0870479 7 In 2.6700129 -0.4123640 0.0000000 0.3082093 2.8040055 0.0000000 0.0000000 0.0000000 3.0870479 8 In 2.6700129 -0.4123640 0.0000000 0.3082093 2.8040055 0.0000000 0.0000000 0.0000000 3.0870479 ---------------------------------------------------------------------------- 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 04:47:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:47:56]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.300628189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.712481329999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.949378480000000 Atomic positions (fractional): 1 S 0.50441604316198 0.84997065974380 0.50000000000000 32.065 2 S 0.49558395683802 0.15002934025620 0.50000000000000 32.065 3 S 0.00441604316198 0.65002934025620 0.00000000000000 32.065 4 S 0.99558395683802 0.34997065974380 0.00000000000000 32.065 5 In 0.38319693487010 0.62030876106030 0.50000000000000 114.818 6 In 0.61680306512990 0.37969123893970 0.50000000000000 114.818 7 In 0.88319693487010 0.87969123893970 0.00000000000000 114.818 8 In 0.11680306512990 0.12030876106030 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.901884569999998 0.000000000000000 0.000000000000000 b 0.000000000000000 21.424962659999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.848135440000000 Atomic positions (fractional): 1 S 0.16813868105399 0.42498532987190 0.16666666666667 32.065 > 1 2 S 0.50147201438733 0.42498532987190 0.16666666666667 32.065 > 1 3 S 0.83480534772066 0.42498532987190 0.16666666666667 32.065 > 1 4 S 0.16813868105399 0.92498532987190 0.16666666666667 32.065 > 1 5 S 0.50147201438733 0.92498532987190 0.16666666666667 32.065 > 1 6 S 0.83480534772066 0.92498532987190 0.16666666666667 32.065 > 1 7 S 0.16813868105399 0.42498532987190 0.50000000000000 32.065 > 1 8 S 0.50147201438733 0.42498532987190 0.50000000000000 32.065 > 1 9 S 0.83480534772066 0.42498532987190 0.50000000000000 32.065 > 1 10 S 0.16813868105399 0.92498532987190 0.50000000000000 32.065 > 1 11 S 0.50147201438733 0.92498532987190 0.50000000000000 32.065 > 1 12 S 0.83480534772066 0.92498532987190 0.50000000000000 32.065 > 1 13 S 0.16813868105399 0.42498532987190 0.83333333333333 32.065 > 1 14 S 0.50147201438733 0.42498532987190 0.83333333333333 32.065 > 1 15 S 0.83480534772066 0.42498532987190 0.83333333333333 32.065 > 1 16 S 0.16813868105399 0.92498532987190 0.83333333333333 32.065 > 1 17 S 0.50147201438733 0.92498532987190 0.83333333333333 32.065 > 1 18 S 0.83480534772066 0.92498532987190 0.83333333333333 32.065 > 1 19 S 0.16519465227934 0.07501467012810 0.16666666666667 32.065 > 19 20 S 0.49852798561267 0.07501467012810 0.16666666666667 32.065 > 19 21 S 0.83186131894601 0.07501467012810 0.16666666666667 32.065 > 19 22 S 0.16519465227934 0.57501467012810 0.16666666666667 32.065 > 19 23 S 0.49852798561267 0.57501467012810 0.16666666666667 32.065 > 19 24 S 0.83186131894601 0.57501467012810 0.16666666666667 32.065 > 19 25 S 0.16519465227934 0.07501467012810 0.50000000000000 32.065 > 19 26 S 0.49852798561267 0.07501467012810 0.50000000000000 32.065 > 19 27 S 0.83186131894601 0.07501467012810 0.50000000000000 32.065 > 19 28 S 0.16519465227934 0.57501467012810 0.50000000000000 32.065 > 19 29 S 0.49852798561267 0.57501467012810 0.50000000000000 32.065 > 19 30 S 0.83186131894601 0.57501467012810 0.50000000000000 32.065 > 19 31 S 0.16519465227934 0.07501467012810 0.83333333333333 32.065 > 19 32 S 0.49852798561267 0.07501467012810 0.83333333333333 32.065 > 19 33 S 0.83186131894601 0.07501467012810 0.83333333333333 32.065 > 19 34 S 0.16519465227934 0.57501467012810 0.83333333333333 32.065 > 19 35 S 0.49852798561267 0.57501467012810 0.83333333333333 32.065 > 19 36 S 0.83186131894601 0.57501467012810 0.83333333333333 32.065 > 19 37 S 0.00147201438733 0.32501467012810 0.00000000000000 32.065 > 37 38 S 0.33480534772066 0.32501467012810 0.00000000000000 32.065 > 37 39 S 0.66813868105399 0.32501467012810 0.00000000000000 32.065 > 37 40 S 0.00147201438733 0.82501467012810 0.00000000000000 32.065 > 37 41 S 0.33480534772066 0.82501467012810 0.00000000000000 32.065 > 37 42 S 0.66813868105399 0.82501467012810 0.00000000000000 32.065 > 37 43 S 0.00147201438733 0.32501467012810 0.33333333333333 32.065 > 37 44 S 0.33480534772066 0.32501467012810 0.33333333333333 32.065 > 37 45 S 0.66813868105399 0.32501467012810 0.33333333333333 32.065 > 37 46 S 0.00147201438733 0.82501467012810 0.33333333333333 32.065 > 37 47 S 0.33480534772066 0.82501467012810 0.33333333333333 32.065 > 37 48 S 0.66813868105399 0.82501467012810 0.33333333333333 32.065 > 37 49 S 0.00147201438733 0.32501467012810 0.66666666666667 32.065 > 37 50 S 0.33480534772066 0.32501467012810 0.66666666666667 32.065 > 37 51 S 0.66813868105399 0.32501467012810 0.66666666666667 32.065 > 37 52 S 0.00147201438733 0.82501467012810 0.66666666666667 32.065 > 37 53 S 0.33480534772066 0.82501467012810 0.66666666666667 32.065 > 37 54 S 0.66813868105399 0.82501467012810 0.66666666666667 32.065 > 37 55 S 0.33186131894601 0.17498532987190 0.00000000000000 32.065 > 55 56 S 0.66519465227934 0.17498532987190 0.00000000000000 32.065 > 55 57 S 0.99852798561267 0.17498532987190 0.00000000000000 32.065 > 55 58 S 0.33186131894601 0.67498532987190 0.00000000000000 32.065 > 55 59 S 0.66519465227934 0.67498532987190 0.00000000000000 32.065 > 55 60 S 0.99852798561267 0.67498532987190 0.00000000000000 32.065 > 55 61 S 0.33186131894601 0.17498532987190 0.33333333333333 32.065 > 55 62 S 0.66519465227934 0.17498532987190 0.33333333333333 32.065 > 55 63 S 0.99852798561267 0.17498532987190 0.33333333333333 32.065 > 55 64 S 0.33186131894601 0.67498532987190 0.33333333333333 32.065 > 55 65 S 0.66519465227934 0.67498532987190 0.33333333333333 32.065 > 55 66 S 0.99852798561267 0.67498532987190 0.33333333333333 32.065 > 55 67 S 0.33186131894601 0.17498532987190 0.66666666666667 32.065 > 55 68 S 0.66519465227934 0.17498532987190 0.66666666666667 32.065 > 55 69 S 0.99852798561267 0.17498532987190 0.66666666666667 32.065 > 55 70 S 0.33186131894601 0.67498532987190 0.66666666666667 32.065 > 55 71 S 0.66519465227934 0.67498532987190 0.66666666666667 32.065 > 55 72 S 0.99852798561267 0.67498532987190 0.66666666666667 32.065 > 55 73 In 0.12773231162337 0.31015438053015 0.16666666666667 114.818 > 73 74 In 0.46106564495670 0.31015438053015 0.16666666666667 114.818 > 73 75 In 0.79439897829003 0.31015438053015 0.16666666666667 114.818 > 73 76 In 0.12773231162337 0.81015438053015 0.16666666666667 114.818 > 73 77 In 0.46106564495670 0.81015438053015 0.16666666666667 114.818 > 73 78 In 0.79439897829003 0.81015438053015 0.16666666666667 114.818 > 73 79 In 0.12773231162337 0.31015438053015 0.50000000000000 114.818 > 73 80 In 0.46106564495670 0.31015438053015 0.50000000000000 114.818 > 73 81 In 0.79439897829003 0.31015438053015 0.50000000000000 114.818 > 73 82 In 0.12773231162337 0.81015438053015 0.50000000000000 114.818 > 73 83 In 0.46106564495670 0.81015438053015 0.50000000000000 114.818 > 73 84 In 0.79439897829003 0.81015438053015 0.50000000000000 114.818 > 73 85 In 0.12773231162337 0.31015438053015 0.83333333333333 114.818 > 73 86 In 0.46106564495670 0.31015438053015 0.83333333333333 114.818 > 73 87 In 0.79439897829003 0.31015438053015 0.83333333333333 114.818 > 73 88 In 0.12773231162337 0.81015438053015 0.83333333333333 114.818 > 73 89 In 0.46106564495670 0.81015438053015 0.83333333333333 114.818 > 73 90 In 0.79439897829003 0.81015438053015 0.83333333333333 114.818 > 73 91 In 0.20560102170997 0.18984561946985 0.16666666666667 114.818 > 91 92 In 0.53893435504330 0.18984561946985 0.16666666666667 114.818 > 91 93 In 0.87226768837663 0.18984561946985 0.16666666666667 114.818 > 91 94 In 0.20560102170997 0.68984561946985 0.16666666666667 114.818 > 91 95 In 0.53893435504330 0.68984561946985 0.16666666666667 114.818 > 91 96 In 0.87226768837663 0.68984561946985 0.16666666666667 114.818 > 91 97 In 0.20560102170997 0.18984561946985 0.50000000000000 114.818 > 91 98 In 0.53893435504330 0.18984561946985 0.50000000000000 114.818 > 91 99 In 0.87226768837663 0.18984561946985 0.50000000000000 114.818 > 91 100 In 0.20560102170997 0.68984561946985 0.50000000000000 114.818 > 91 101 In 0.53893435504330 0.68984561946985 0.50000000000000 114.818 > 91 102 In 0.87226768837663 0.68984561946985 0.50000000000000 114.818 > 91 103 In 0.20560102170997 0.18984561946985 0.83333333333333 114.818 > 91 104 In 0.53893435504330 0.18984561946985 0.83333333333333 114.818 > 91 105 In 0.87226768837663 0.18984561946985 0.83333333333333 114.818 > 91 106 In 0.20560102170997 0.68984561946985 0.83333333333333 114.818 > 91 107 In 0.53893435504330 0.68984561946985 0.83333333333333 114.818 > 91 108 In 0.87226768837663 0.68984561946985 0.83333333333333 114.818 > 91 109 In 0.29439897829003 0.43984561946985 0.00000000000000 114.818 > 109 110 In 0.62773231162337 0.43984561946985 0.00000000000000 114.818 > 109 111 In 0.96106564495670 0.43984561946985 0.00000000000000 114.818 > 109 112 In 0.29439897829003 0.93984561946985 0.00000000000000 114.818 > 109 113 In 0.62773231162337 0.93984561946985 0.00000000000000 114.818 > 109 114 In 0.96106564495670 0.93984561946985 0.00000000000000 114.818 > 109 115 In 0.29439897829003 0.43984561946985 0.33333333333333 114.818 > 109 116 In 0.62773231162337 0.43984561946985 0.33333333333333 114.818 > 109 117 In 0.96106564495670 0.43984561946985 0.33333333333333 114.818 > 109 118 In 0.29439897829003 0.93984561946985 0.33333333333333 114.818 > 109 119 In 0.62773231162337 0.93984561946985 0.33333333333333 114.818 > 109 120 In 0.96106564495670 0.93984561946985 0.33333333333333 114.818 > 109 121 In 0.29439897829003 0.43984561946985 0.66666666666667 114.818 > 109 122 In 0.62773231162337 0.43984561946985 0.66666666666667 114.818 > 109 123 In 0.96106564495670 0.43984561946985 0.66666666666667 114.818 > 109 124 In 0.29439897829003 0.93984561946985 0.66666666666667 114.818 > 109 125 In 0.62773231162337 0.93984561946985 0.66666666666667 114.818 > 109 126 In 0.96106564495670 0.93984561946985 0.66666666666667 114.818 > 109 127 In 0.03893435504330 0.06015438053015 0.00000000000000 114.818 > 127 128 In 0.37226768837663 0.06015438053015 0.00000000000000 114.818 > 127 129 In 0.70560102170997 0.06015438053015 0.00000000000000 114.818 > 127 130 In 0.03893435504330 0.56015438053015 0.00000000000000 114.818 > 127 131 In 0.37226768837663 0.56015438053015 0.00000000000000 114.818 > 127 132 In 0.70560102170997 0.56015438053015 0.00000000000000 114.818 > 127 133 In 0.03893435504330 0.06015438053015 0.33333333333333 114.818 > 127 134 In 0.37226768837663 0.06015438053015 0.33333333333333 114.818 > 127 135 In 0.70560102170997 0.06015438053015 0.33333333333333 114.818 > 127 136 In 0.03893435504330 0.56015438053015 0.33333333333333 114.818 > 127 137 In 0.37226768837663 0.56015438053015 0.33333333333333 114.818 > 127 138 In 0.70560102170997 0.56015438053015 0.33333333333333 114.818 > 127 139 In 0.03893435504330 0.06015438053015 0.66666666666667 114.818 > 127 140 In 0.37226768837663 0.06015438053015 0.66666666666667 114.818 > 127 141 In 0.70560102170997 0.06015438053015 0.66666666666667 114.818 > 127 142 In 0.03893435504330 0.56015438053015 0.66666666666667 114.818 > 127 143 In 0.37226768837663 0.56015438053015 0.66666666666667 114.818 > 127 144 In 0.70560102170997 0.56015438053015 0.66666666666667 114.818 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.3493215 0.0000000 0.0000000 0.0000000 13.2611139 0.0000000 0.0000000 0.0000000 9.9807246 -------------------------- Born effective charges -------------------------- 1 S -2.6700129 -0.5833727 0.0000000 -0.3647714 -2.8040055 0.0000000 0.0000000 0.0000000 -3.0870479 2 S -2.6700129 -0.5833727 0.0000000 -0.3647714 -2.8040055 0.0000000 0.0000000 0.0000000 -3.0870479 3 S -2.6700129 0.5833727 0.0000000 0.3647714 -2.8040055 0.0000000 0.0000000 0.0000000 -3.0870479 4 S -2.6700129 0.5833727 0.0000000 0.3647714 -2.8040055 0.0000000 0.0000000 0.0000000 -3.0870479 5 In 2.6700129 0.4123640 0.0000000 -0.3082093 2.8040055 0.0000000 0.0000000 0.0000000 3.0870479 6 In 2.6700129 0.4123640 0.0000000 -0.3082093 2.8040055 0.0000000 0.0000000 0.0000000 3.0870479 7 In 2.6700129 -0.4123640 0.0000000 0.3082093 2.8040055 0.0000000 0.0000000 0.0000000 3.0870479 8 In 2.6700129 -0.4123640 0.0000000 0.3082093 2.8040055 0.0000000 0.0000000 0.0000000 3.0870479 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 5 13 ] 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: 0.73, Number of G-points: 293, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.206 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.853 ( 0.000 0.000 0.000) 0.000 1.880 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.790 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.842 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 9.079 ( 0.000 0.000 0.000) 0.000 9.529 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 17.708 0.000 0.000) 17.708 0.468 ( 23.454 0.000 0.000) 23.454 0.501 ( 25.937 0.000 0.000) 25.937 1.216 ( 1.011 0.000 0.000) 1.011 1.619 ( -0.669 0.000 0.000) 0.669 1.819 ( -2.212 0.000 0.000) 2.212 1.913 ( 1.937 0.000 0.000) 1.937 2.057 ( -5.750 0.000 0.000) 5.750 2.591 ( 7.316 0.000 0.000) 7.316 3.046 ( -1.527 0.000 0.000) 1.527 4.417 ( 6.240 0.000 0.000) 6.240 4.592 ( 3.780 0.000 0.000) 3.780 6.071 ( 7.223 0.000 0.000) 7.223 6.148 ( 8.871 0.000 0.000) 8.871 6.349 ( 4.088 0.000 0.000) 4.088 6.898 ( 0.335 0.000 0.000) 0.335 6.909 ( 0.937 0.000 0.000) 0.937 7.168 ( -5.239 0.000 0.000) 5.239 7.762 ( -2.089 0.000 0.000) 2.089 7.793 ( -0.595 0.000 0.000) 0.595 7.888 ( 4.234 0.000 0.000) 4.234 9.030 ( -1.544 0.000 0.000) 1.544 9.083 ( 0.517 0.000 0.000) 0.517 9.506 ( -2.340 0.000 0.000) 2.340 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 16.434 0.000 0.000) 16.434 0.895 ( 20.181 0.000 0.000) 20.181 1.002 ( 25.513 0.000 0.000) 25.513 1.248 ( 2.331 0.000 0.000) 2.331 1.603 ( -0.777 0.000 0.000) 0.777 1.777 ( -2.118 0.000 0.000) 2.118 1.941 ( 0.838 0.000 0.000) 0.838 1.955 ( -3.987 0.000 0.000) 3.987 2.745 ( 7.848 0.000 0.000) 7.848 3.020 ( -1.033 0.000 0.000) 1.033 4.564 ( 8.304 0.000 0.000) 8.304 4.691 ( 6.226 0.000 0.000) 6.226 6.272 ( 13.075 0.000 0.000) 13.075 6.377 ( 14.165 0.000 0.000) 14.165 6.456 ( 6.607 0.000 0.000) 6.607 6.902 ( -0.032 0.000 0.000) 0.032 6.932 ( 1.202 0.000 0.000) 1.202 7.053 ( -5.996 0.000 0.000) 5.996 7.712 ( -3.024 0.000 0.000) 3.024 7.769 ( -1.853 0.000 0.000) 1.853 7.986 ( 5.606 0.000 0.000) 5.606 8.983 ( -3.341 0.000 0.000) 3.341 9.099 ( 1.102 0.000 0.000) 1.102 9.445 ( -3.711 0.000 0.000) 3.711 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 14.366 0.000 0.000) 14.366 1.231 ( 13.964 0.000 0.000) 13.964 1.308 ( 3.905 0.000 0.000) 3.905 1.471 ( 21.054 0.000 0.000) 21.054 1.601 ( 2.099 0.000 0.000) 2.099 1.734 ( -2.326 0.000 0.000) 2.326 1.930 ( 2.001 0.000 0.000) 2.001 1.941 ( -1.026 0.000 0.000) 1.026 2.878 ( 5.613 0.000 0.000) 5.613 3.003 ( -0.900 0.000 0.000) 0.900 4.721 ( 7.649 0.000 0.000) 7.649 4.819 ( 6.615 0.000 0.000) 6.615 6.555 ( 15.544 0.000 0.000) 15.544 6.589 ( 6.765 0.000 0.000) 6.765 6.673 ( 15.771 0.000 0.000) 15.771 6.892 ( -0.966 0.000 0.000) 0.966 6.951 ( 0.658 0.000 0.000) 0.658 6.954 ( -3.914 0.000 0.000) 3.914 7.647 ( -3.699 0.000 0.000) 3.699 7.722 ( -2.943 0.000 0.000) 2.943 8.100 ( 6.131 0.000 0.000) 6.131 8.900 ( -5.129 0.000 0.000) 5.129 9.125 ( 1.508 0.000 0.000) 1.508 9.370 ( -3.815 0.000 0.000) 3.815 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 11.282 0.000 0.000) 11.282 1.401 ( 5.791 0.000 0.000) 5.791 1.428 ( 6.800 0.000 0.000) 6.800 1.581 ( 0.373 0.000 0.000) 0.373 1.683 ( -3.013 0.000 0.000) 3.013 1.899 ( -3.269 0.000 0.000) 3.269 1.904 ( 18.601 0.000 0.000) 18.601 2.036 ( 8.259 0.000 0.000) 8.259 2.953 ( 2.020 0.000 0.000) 2.020 2.977 ( -1.868 0.000 0.000) 1.868 4.855 ( 6.104 0.000 0.000) 6.104 4.934 ( 4.958 0.000 0.000) 4.958 6.706 ( 5.033 0.000 0.000) 5.033 6.854 ( 14.797 0.000 0.000) 14.797 6.869 ( -1.225 0.000 0.000) 1.225 6.903 ( -1.481 0.000 0.000) 1.481 6.955 ( -0.274 0.000 0.000) 0.274 6.970 ( 14.489 0.000 0.000) 14.489 7.568 ( -4.579 0.000 0.000) 4.579 7.654 ( -4.159 0.000 0.000) 4.159 8.225 ( 6.738 0.000 0.000) 6.738 8.787 ( -6.536 0.000 0.000) 6.536 9.155 ( 1.602 0.000 0.000) 1.602 9.303 ( -3.074 0.000 0.000) 3.074 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 7.212 0.000 0.000) 7.212 1.520 ( 3.298 0.000 0.000) 3.298 1.536 ( 7.933 0.000 0.000) 7.933 1.583 ( -0.275 0.000 0.000) 0.275 1.616 ( -4.029 0.000 0.000) 4.029 1.814 ( -5.499 0.000 0.000) 5.499 2.197 ( 10.837 0.000 0.000) 10.837 2.205 ( 7.991 0.000 0.000) 7.991 2.937 ( -1.812 0.000 0.000) 1.812 2.958 ( -1.235 0.000 0.000) 1.235 4.955 ( 4.056 0.000 0.000) 4.056 5.003 ( 1.944 0.000 0.000) 1.944 6.781 ( 2.807 0.000 0.000) 2.807 6.846 ( -1.236 0.000 0.000) 1.236 6.895 ( 0.580 0.000 0.000) 0.580 6.941 ( -1.074 0.000 0.000) 1.074 7.116 ( 12.100 0.000 0.000) 12.100 7.224 ( 11.637 0.000 0.000) 11.637 7.464 ( -6.235 0.000 0.000) 6.235 7.557 ( -5.931 0.000 0.000) 5.931 8.361 ( 7.301 0.000 0.000) 7.301 8.651 ( -7.346 0.000 0.000) 7.346 9.186 ( 1.529 0.000 0.000) 1.529 9.252 ( -2.184 0.000 0.000) 2.184 ======================= Grid point 6 (7/147) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -5.192 0.000 0.000) 5.192 1.527 ( 5.192 0.000 0.000) 5.192 1.566 ( -1.533 0.000 0.000) 1.533 1.566 ( 1.533 0.000 0.000) 1.533 1.688 ( -7.387 0.000 0.000) 7.387 1.688 ( 7.387 0.000 0.000) 7.387 2.299 ( -0.484 0.000 0.000) 0.484 2.299 ( 0.484 0.000 0.000) 0.484 2.928 ( -1.057 0.000 0.000) 1.057 2.928 ( 1.057 0.000 0.000) 1.057 5.008 ( -1.331 0.000 0.000) 1.331 5.008 ( 1.331 0.000 0.000) 1.331 6.820 ( -1.485 0.000 0.000) 1.485 6.820 ( 1.485 0.000 0.000) 1.485 6.916 ( -1.368 0.000 0.000) 1.368 6.916 ( 1.368 0.000 0.000) 1.368 7.319 ( -8.888 0.000 0.000) 8.888 7.319 ( 8.888 0.000 0.000) 8.888 7.419 ( -8.503 0.000 0.000) 8.503 7.419 ( 8.503 0.000 0.000) 8.503 8.506 ( -7.562 0.000 0.000) 7.562 8.506 ( 7.562 0.000 0.000) 7.562 9.216 ( -1.638 0.000 0.000) 1.638 9.216 ( 1.638 0.000 0.000) 1.638 ======================= Grid point 13 (8/147) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 0.000 19.747 0.000) 19.747 0.452 ( 0.000 23.438 0.000) 23.438 0.843 ( 0.000 40.452 0.000) 40.452 1.151 ( 0.000 -5.891 0.000) 5.891 1.562 ( 0.000 -4.574 0.000) 4.574 1.856 ( 0.000 0.259 0.000) 0.259 1.877 ( 0.000 -0.298 0.000) 0.298 2.247 ( 0.000 5.145 0.000) 5.145 2.457 ( 0.000 -5.425 0.000) 5.425 2.845 ( 0.000 -11.368 0.000) 11.368 4.334 ( 0.000 -1.461 0.000) 1.461 4.488 ( 0.000 -6.141 0.000) 6.141 5.579 ( 0.000 8.964 0.000) 8.964 6.007 ( 0.000 0.615 0.000) 0.615 6.052 ( 0.000 -0.489 0.000) 0.489 6.227 ( 0.000 -8.190 0.000) 8.190 7.231 ( 0.000 0.586 0.000) 0.586 7.252 ( 0.000 0.087 0.000) 0.087 7.789 ( 0.000 -0.087 0.000) 0.087 7.790 ( 0.000 -0.122 0.000) 0.122 8.529 ( 0.000 4.135 0.000) 4.135 8.935 ( 0.000 -1.633 0.000) 1.633 9.066 ( 0.000 1.953 0.000) 1.953 9.485 ( 0.000 -4.707 0.000) 4.707 ======================= Grid point 14 (9/147) ======================= q-point: ( 0.08 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( 0.520 18.546 0.000) 18.554 0.505 ( 10.931 13.653 0.000) 17.490 1.088 ( 16.638 27.464 0.000) 32.111 1.163 ( 1.227 -5.625 0.000) 5.757 1.545 ( -0.296 -1.926 0.000) 1.949 1.829 ( -1.696 1.033 0.000) 1.986 1.904 ( 1.614 -0.891 0.000) 1.844 2.130 ( -6.009 6.556 0.000) 8.893 2.554 ( 6.710 -4.150 0.000) 7.890 2.887 ( 2.061 -14.180 0.000) 14.329 4.381 ( 5.484 -2.272 0.000) 5.937 4.549 ( 4.415 -5.293 0.000) 6.893 6.035 ( 27.214 -19.661 0.000) 33.573 6.079 ( 7.373 0.818 0.000) 7.418 6.141 ( 8.708 -0.702 0.000) 8.736 6.297 ( 7.736 -8.513 0.000) 11.503 7.182 ( -4.601 1.280 0.000) 4.776 7.205 ( -4.297 2.353 0.000) 4.899 7.764 ( -1.958 0.187 0.000) 1.967 7.789 ( -0.748 -0.417 0.000) 0.856 8.330 ( -10.280 20.365 0.000) 22.812 8.989 ( 1.794 -7.884 0.000) 8.086 9.057 ( -0.651 3.971 0.000) 4.024 9.470 ( -1.804 -4.254 0.000) 4.621 ======================= Grid point 15 (10/147) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 217 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 21.543 -6.779 0.000) 22.585 0.751 ( 13.535 6.906 0.000) 15.195 1.201 ( 2.789 -4.812 0.000) 5.562 1.327 ( 6.555 -2.872 0.000) 7.157 1.619 ( 8.753 19.032 0.000) 20.948 1.796 ( -1.697 1.949 0.000) 2.584 1.928 ( 0.637 -1.429 0.000) 1.565 2.060 ( -0.929 9.101 0.000) 9.148 2.675 ( 5.191 -6.888 0.000) 8.625 2.935 ( 3.532 -8.866 0.000) 9.544 4.522 ( 8.293 -3.309 0.000) 8.929 4.647 ( 5.632 -4.794 0.000) 7.397 6.283 ( 13.160 1.073 0.000) 13.203 6.359 ( 10.254 -9.022 0.000) 13.658 6.368 ( 14.043 -1.001 0.000) 14.078 6.534 ( 13.199 -15.386 0.000) 20.271 7.075 ( -5.766 2.372 0.000) 6.235 7.112 ( -4.908 3.511 0.000) 6.035 7.716 ( -2.928 0.419 0.000) 2.958 7.762 ( -1.979 -0.698 0.000) 2.098 8.231 ( -0.974 18.782 0.000) 18.807 8.975 ( -2.802 -4.772 0.000) 5.534 9.061 ( 1.055 0.855 0.000) 1.358 9.416 ( -3.531 -3.444 0.000) 4.932 ======================= Grid point 16 (11/147) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 12.909 3.044 0.000) 13.263 1.022 ( 20.612 -9.848 0.000) 22.844 1.272 ( 4.473 -3.614 0.000) 5.750 1.420 ( 5.501 -13.535 0.000) 14.611 1.760 ( -2.112 2.535 0.000) 3.300 1.781 ( 5.471 19.574 0.000) 20.324 1.924 ( -1.111 -1.723 0.000) 2.050 2.119 ( 7.184 15.419 0.000) 17.010 2.751 ( 3.008 -9.647 0.000) 10.105 3.020 ( 4.535 -1.469 0.000) 4.767 4.680 ( 7.603 -3.669 0.000) 8.442 4.761 ( 5.910 -5.605 0.000) 8.145 6.538 ( 8.440 -4.023 0.000) 9.350 6.566 ( 15.532 1.148 0.000) 15.574 6.661 ( 15.715 -1.171 0.000) 15.759 6.732 ( 7.310 -10.171 0.000) 12.526 6.976 ( -4.269 2.326 0.000) 4.862 7.022 ( -4.121 2.103 0.000) 4.626 7.652 ( -3.634 0.582 0.000) 3.680 7.713 ( -3.022 -0.904 0.000) 3.154 8.254 ( 2.742 13.840 0.000) 14.109 8.899 ( -4.893 -1.746 0.000) 5.195 9.088 ( 1.622 -1.930 0.000) 2.521 9.343 ( -3.875 -3.159 0.000) 5.000 ======================= Grid point 17 (12/147) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 217 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 10.652 1.038 0.000) 10.702 1.336 ( 11.341 -4.769 0.000) 12.303 1.374 ( 6.089 -2.545 0.000) 6.599 1.577 ( 9.388 -8.751 0.000) 12.834 1.712 ( -2.931 2.732 0.000) 4.007 1.856 ( 4.622 8.843 0.000) 9.978 1.882 ( -3.238 -1.779 0.000) 3.695 2.275 ( 6.832 12.595 0.000) 14.329 2.809 ( 3.479 -5.386 0.000) 6.412 3.087 ( 1.988 3.438 0.000) 3.971 4.808 ( 5.506 -4.424 0.000) 7.064 4.867 ( 4.732 -6.329 0.000) 7.902 6.679 ( 5.888 -1.787 0.000) 6.153 6.828 ( 3.082 -4.667 0.000) 5.593 6.864 ( 14.719 1.059 0.000) 14.757 6.908 ( -3.011 1.617 0.000) 3.418 6.958 ( 14.463 -1.236 0.000) 14.516 6.964 ( -1.580 0.149 0.000) 1.587 7.574 ( -4.520 0.699 0.000) 4.574 7.644 ( -4.186 -1.010 0.000) 4.306 8.326 ( 4.506 9.770 0.000) 10.759 8.791 ( -6.049 -0.200 0.000) 6.052 9.120 ( 1.684 -2.805 0.000) 3.272 9.273 ( -3.226 -3.207 0.000) 4.548 ======================= Grid point 18 (13/147) ======================= q-point: ( 0.42 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 7.191 0.462 0.000) 7.206 1.505 ( 6.743 -2.464 0.000) 7.179 1.505 ( 7.032 0.854 0.000) 7.084 1.649 ( -3.072 2.793 0.000) 4.152 1.670 ( -0.116 4.766 0.000) 4.767 1.799 ( -5.295 -1.556 0.000) 5.519 2.025 ( 11.606 -5.629 0.000) 12.899 2.332 ( -1.369 0.843 0.000) 1.608 2.900 ( 5.830 3.861 0.000) 6.992 3.088 ( -1.984 6.653 0.000) 6.943 4.895 ( 3.477 -5.631 0.000) 6.618 4.933 ( 1.927 -6.556 0.000) 6.833 6.762 ( 2.899 -1.023 0.000) 3.074 6.846 ( -2.023 -1.621 0.000) 2.592 6.885 ( 1.913 0.689 0.000) 2.033 6.949 ( -0.688 -0.054 0.000) 0.691 7.124 ( 11.977 0.868 0.000) 12.009 7.211 ( 11.536 -1.298 0.000) 11.609 7.473 ( -6.082 0.853 0.000) 6.141 7.548 ( -5.903 -1.017 0.000) 5.990 8.425 ( 5.668 6.370 0.000) 8.527 8.668 ( -6.529 1.443 0.000) 6.686 9.152 ( 1.558 -3.141 0.000) 3.506 9.220 ( -2.277 -3.305 0.000) 4.013 ======================= Grid point 19 (14/147) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -4.441 0.103 0.000) 4.442 1.528 ( 4.441 0.103 0.000) 4.442 1.618 ( -4.555 5.017 0.000) 6.777 1.618 ( 4.556 5.017 0.000) 6.777 1.683 ( -6.215 -0.503 0.000) 6.236 1.683 ( 6.215 -0.503 0.000) 6.236 2.231 ( -8.571 -6.071 0.000) 10.503 2.231 ( 8.571 -6.071 0.000) 10.503 3.015 ( -5.305 7.761 0.000) 9.400 3.015 ( 5.305 7.761 0.000) 9.400 4.940 ( -1.102 -6.406 0.000) 6.500 4.940 ( 1.102 -6.406 0.000) 6.500 6.806 ( -1.953 -1.051 0.000) 2.218 6.806 ( 1.953 -1.051 0.000) 2.218 6.925 ( -1.767 0.484 0.000) 1.832 6.925 ( 1.767 0.484 0.000) 1.832 7.322 ( -7.893 0.286 0.000) 7.898 7.322 ( 7.893 0.286 0.000) 7.898 7.413 ( -7.582 -0.603 0.000) 7.606 7.413 ( 7.582 -0.603 0.000) 7.606 8.542 ( -6.377 3.593 0.000) 7.319 8.542 ( 6.377 3.593 0.000) 7.319 9.182 ( -1.661 -3.289 0.000) 3.685 9.182 ( 1.661 -3.289 0.000) 3.685 ======================= Grid point 26 (15/147) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.000 16.452 0.000) 16.452 0.860 ( 0.000 19.886 0.000) 19.886 0.988 ( 0.000 -11.581 0.000) 11.581 1.159 ( 0.000 -9.175 0.000) 9.175 1.784 ( 0.000 29.964 0.000) 29.964 1.862 ( 0.000 0.411 0.000) 0.411 1.870 ( 0.000 -0.430 0.000) 0.430 2.266 ( 0.000 -17.400 0.000) 17.400 2.372 ( 0.000 8.263 0.000) 8.263 2.578 ( 0.000 -14.519 0.000) 14.519 4.319 ( 0.000 0.497 0.000) 0.497 4.371 ( 0.000 -5.158 0.000) 5.158 5.788 ( 0.000 12.671 0.000) 12.671 6.022 ( 0.000 0.932 0.000) 0.932 6.028 ( 0.000 -12.393 0.000) 12.393 6.040 ( 0.000 -0.854 0.000) 0.854 7.243 ( 0.000 0.622 0.000) 0.622 7.251 ( 0.000 -0.201 0.000) 0.201 7.788 ( 0.000 -0.038 0.000) 0.038 7.788 ( 0.000 -0.091 0.000) 0.091 8.645 ( 0.000 8.085 0.000) 8.085 8.813 ( 0.000 -9.129 0.000) 9.129 9.191 ( 0.000 9.149 0.000) 9.149 9.360 ( 0.000 -8.311 0.000) 8.311 ======================= Grid point 27 (16/147) ======================= q-point: ( 0.08 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -7.489 22.517 0.000) 23.730 0.775 ( 5.090 14.143 0.000) 15.031 1.010 ( 2.306 -10.624 0.000) 10.871 1.114 ( -4.122 -15.410 0.000) 15.952 1.854 ( -0.522 1.516 0.000) 1.604 1.882 ( 0.717 -1.438 0.000) 1.607 1.905 ( 10.642 29.539 0.000) 31.398 2.241 ( -2.226 1.006 0.000) 2.443 2.447 ( 6.768 -5.327 0.000) 8.613 2.572 ( 0.821 -17.018 0.000) 17.037 4.365 ( 4.735 0.998 0.000) 4.839 4.430 ( 5.044 -5.861 0.000) 7.733 5.958 ( 14.864 5.419 0.000) 15.821 6.099 ( 7.774 1.267 0.000) 7.877 6.118 ( 8.748 -10.126 0.000) 13.382 6.123 ( 8.285 -1.195 0.000) 8.371 7.206 ( -3.623 1.098 0.000) 3.786 7.218 ( -3.250 -0.172 0.000) 3.254 7.770 ( -1.602 0.419 0.000) 1.656 7.779 ( -1.139 -0.562 0.000) 1.270 8.602 ( -3.352 11.725 0.000) 12.195 8.811 ( -0.353 -10.715 0.000) 10.721 9.186 ( -0.657 8.850 0.000) 8.874 9.351 ( -1.124 -8.132 0.000) 8.210 ======================= Grid point 28 (17/147) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 217 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 6.666 16.214 0.000) 17.531 0.909 ( 8.410 9.353 0.000) 12.578 1.063 ( 0.469 -18.330 0.000) 18.336 1.077 ( 4.634 -8.172 0.000) 9.394 1.842 ( -0.810 2.699 0.000) 2.818 1.891 ( 0.054 -2.423 0.000) 2.424 2.087 ( 4.812 21.893 0.000) 22.416 2.238 ( 3.639 7.190 0.000) 8.058 2.536 ( 3.965 -4.490 0.000) 5.990 2.699 ( 10.633 -15.585 0.000) 18.866 4.486 ( 7.180 0.182 0.000) 7.183 4.540 ( 5.989 -5.331 0.000) 8.018 6.256 ( 14.302 -0.079 0.000) 14.302 6.309 ( 13.402 1.704 0.000) 13.510 6.336 ( 12.807 -7.580 0.000) 14.882 6.342 ( 13.740 -1.660 0.000) 13.840 7.116 ( -5.266 1.746 0.000) 5.547 7.135 ( -5.028 -0.195 0.000) 5.032 7.728 ( -2.659 0.823 0.000) 2.783 7.745 ( -2.295 -0.996 0.000) 2.502 8.548 ( -1.879 14.863 0.000) 14.982 8.798 ( -0.956 -12.023 0.000) 12.061 9.163 ( -1.615 7.907 0.000) 8.071 9.313 ( -2.744 -7.338 0.000) 7.834 ======================= Grid point 29 (18/147) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 17.205 4.872 0.000) 17.882 1.087 ( 9.609 4.990 0.000) 10.828 1.160 ( 9.273 -13.226 0.000) 16.153 1.186 ( 6.412 -5.261 0.000) 8.294 1.818 ( -1.716 3.396 0.000) 3.804 1.879 ( -1.355 -2.976 0.000) 3.270 2.108 ( -0.537 15.224 0.000) 15.233 2.312 ( 1.848 -2.378 0.000) 3.012 2.677 ( 10.163 7.840 0.000) 12.836 2.905 ( 9.907 -10.896 0.000) 14.726 4.624 ( 6.682 -1.330 0.000) 6.814 4.654 ( 5.591 -4.497 0.000) 7.175 6.499 ( 10.825 0.779 0.000) 10.853 6.571 ( 10.652 -6.610 0.000) 12.537 6.596 ( 15.533 1.875 0.000) 15.646 6.632 ( 15.603 -1.889 0.000) 15.717 7.016 ( -4.816 1.678 0.000) 5.100 7.035 ( -4.988 -0.365 0.000) 5.002 7.668 ( -3.456 1.110 0.000) 3.629 7.692 ( -3.222 -1.308 0.000) 3.477 8.530 ( -0.092 14.512 0.000) 14.512 8.773 ( -1.708 -10.951 0.000) 11.084 9.130 ( -1.586 5.763 0.000) 5.977 9.252 ( -3.368 -6.294 0.000) 7.139 ======================= Grid point 30 (19/147) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 217 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 9.061 2.167 0.000) 9.316 1.306 ( 15.340 1.736 0.000) 15.438 1.320 ( 7.272 -2.968 0.000) 7.854 1.399 ( 14.629 -8.018 0.000) 16.683 1.773 ( -2.986 3.527 0.000) 4.621 1.836 ( -3.137 -3.069 0.000) 4.388 2.089 ( -1.402 13.385 0.000) 13.459 2.308 ( -2.000 -8.388 0.000) 8.623 2.882 ( 10.150 11.373 0.000) 15.243 3.067 ( 6.595 -6.056 0.000) 8.954 4.732 ( 4.380 -2.380 0.000) 4.985 4.752 ( 4.294 -4.501 0.000) 6.221 6.673 ( 6.926 1.544 0.000) 7.096 6.735 ( 6.088 -4.711 0.000) 7.698 6.891 ( 14.557 1.802 0.000) 14.669 6.927 ( 14.456 -1.912 0.000) 14.582 6.937 ( -3.150 1.313 0.000) 3.413 6.957 ( -2.692 -0.811 0.000) 2.812 7.593 ( -4.390 1.289 0.000) 4.575 7.620 ( -4.266 -1.481 0.000) 4.516 8.540 ( 1.003 11.917 0.000) 11.959 8.730 ( -2.748 -7.310 0.000) 7.810 9.108 ( -0.610 2.473 0.000) 2.547 9.190 ( -2.838 -5.186 0.000) 5.912 ======================= Grid point 31 (20/147) ======================= q-point: ( 0.42 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 7.078 1.232 0.000) 7.184 1.460 ( 6.812 -2.121 0.000) 7.134 1.560 ( 11.038 4.680 0.000) 11.990 1.659 ( 9.986 -4.937 0.000) 11.140 1.705 ( -3.728 3.039 0.000) 4.809 1.759 ( -4.673 -2.625 0.000) 5.360 2.064 ( -0.286 8.241 0.000) 8.246 2.238 ( -5.154 -8.844 0.000) 10.236 3.052 ( 7.046 9.142 0.000) 11.542 3.153 ( 2.144 -0.702 0.000) 2.256 4.796 ( 2.338 -3.259 0.000) 4.010 4.812 ( 1.828 -4.795 0.000) 5.132 6.763 ( 2.578 1.198 0.000) 2.843 6.801 ( 0.791 -2.567 0.000) 2.686 6.908 ( 0.382 1.319 0.000) 1.373 6.933 ( -0.191 -1.336 0.000) 1.349 7.148 ( 11.703 1.583 0.000) 11.810 7.181 ( 11.500 -1.839 0.000) 11.646 7.494 ( -5.888 1.418 0.000) 6.056 7.523 ( -5.855 -1.529 0.000) 6.051 8.568 ( 1.881 7.787 0.000) 8.011 8.671 ( -3.170 -2.389 0.000) 3.969 9.106 ( 0.291 -0.550 0.000) 0.622 9.145 ( -1.834 -3.983 0.000) 4.385 ======================= Grid point 32 (21/147) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -1.872 0.079 0.000) 1.874 1.530 ( 1.872 0.079 0.000) 1.874 1.674 ( -2.550 -0.328 0.000) 2.571 1.674 ( 2.550 -0.328 0.000) 2.571 1.716 ( -3.999 4.031 0.000) 5.678 1.716 ( 3.999 4.031 0.000) 5.678 2.122 ( -5.947 -4.232 0.000) 7.299 2.122 ( 5.947 -4.232 0.000) 7.299 3.148 ( -2.695 4.702 0.000) 5.419 3.148 ( 2.695 4.702 0.000) 5.419 4.824 ( -0.481 -4.305 0.000) 4.332 4.824 ( 0.481 -4.305 0.000) 4.332 6.793 ( -0.990 -0.290 0.000) 1.032 6.793 ( 0.990 -0.290 0.000) 1.032 6.927 ( -0.819 -0.164 0.000) 0.835 6.927 ( 0.819 -0.164 0.000) 0.835 7.328 ( -3.701 0.242 0.000) 3.709 7.328 ( 3.701 0.242 0.000) 3.709 7.401 ( -3.582 -0.437 0.000) 3.609 7.401 ( 3.582 -0.437 0.000) 3.609 8.612 ( -2.730 2.798 0.000) 3.909 8.612 ( 2.730 2.798 0.000) 3.909 9.118 ( -0.976 -2.573 0.000) 2.752 9.118 ( 0.976 -2.573 0.000) 2.752 ======================= Grid point 65 (22/147) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 0.000 0.000 16.490) 16.490 0.392 ( 0.000 0.000 19.998) 19.998 0.714 ( 0.000 0.000 35.977) 35.977 1.352 ( 0.000 0.000 13.275) 13.275 1.623 ( 0.000 0.000 -0.304) 0.304 1.944 ( 0.000 0.000 5.265) 5.265 1.954 ( 0.000 0.000 8.532) 8.532 2.133 ( 0.000 0.000 1.710) 1.710 2.519 ( 0.000 0.000 2.037) 2.037 2.938 ( 0.000 0.000 -1.240) 1.240 4.400 ( 0.000 0.000 4.821) 4.821 4.572 ( 0.000 0.000 1.891) 1.891 5.518 ( 0.000 0.000 3.346) 3.346 6.207 ( 0.000 0.000 14.249) 14.249 6.322 ( 0.000 0.000 1.478) 1.478 6.877 ( 0.000 0.000 -1.665) 1.665 7.165 ( 0.000 0.000 -5.442) 5.442 7.814 ( 0.000 0.000 1.789) 1.789 7.841 ( 0.000 0.000 4.354) 4.354 7.852 ( 0.000 0.000 1.608) 1.608 8.496 ( 0.000 0.000 0.571) 0.571 8.505 ( 0.000 0.000 -4.022) 4.022 9.110 ( 0.000 0.000 2.932) 2.932 9.511 ( 0.000 0.000 -1.811) 1.811 ======================= Grid point 66 (23/147) ======================= q-point: ( 0.08 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 11.286 0.000 10.794) 15.617 0.600 ( 17.256 0.000 12.030) 21.036 0.886 ( 15.685 0.000 28.759) 32.758 1.430 ( 4.314 0.000 15.843) 16.420 1.609 ( -0.793 0.000 -0.301) 0.848 1.920 ( -2.219 0.000 9.264) 9.526 1.931 ( -2.641 0.000 0.494) 2.687 2.113 ( -0.825 0.000 6.681) 6.732 2.591 ( 6.379 0.000 0.545) 6.402 2.994 ( 2.510 0.000 -2.832) 3.785 4.445 ( 4.516 0.000 3.080) 5.467 4.606 ( 3.378 0.000 1.483) 3.690 5.684 ( 13.461 0.000 -10.835) 17.280 6.230 ( 2.860 0.000 6.326) 6.942 6.409 ( 8.034 0.000 7.762) 11.172 6.880 ( 0.275 0.000 -1.724) 1.746 7.120 ( -4.232 0.000 -4.418) 6.118 7.664 ( -30.123 0.000 32.086) 44.010 7.807 ( -1.226 0.000 3.454) 3.665 7.825 ( -1.078 0.000 3.490) 3.652 7.893 ( 3.740 0.000 0.685) 3.802 8.910 ( 6.124 0.000 -9.157) 11.016 9.111 ( 0.194 0.000 2.723) 2.730 9.488 ( -2.257 0.000 -1.725) 2.841 ======================= Grid point 67 (24/147) ======================= q-point: ( 0.17 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 237 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 13.870 0.000 3.266) 14.250 0.954 ( 17.928 0.000 5.883) 18.868 1.236 ( 18.322 0.000 19.012) 26.404 1.495 ( 3.177 0.000 19.758) 20.011 1.603 ( 0.544 0.000 1.264) 1.376 1.850 ( -3.797 0.000 0.001) 3.797 1.886 ( -2.231 0.000 6.326) 6.708 2.115 ( 0.658 0.000 10.733) 10.753 2.727 ( 7.012 0.000 -1.520) 7.175 3.010 ( -0.273 0.000 -0.739) 0.788 4.560 ( 6.881 0.000 -0.064) 6.881 4.695 ( 5.585 0.000 0.430) 5.601 5.967 ( 15.314 0.000 -18.157) 23.753 6.323 ( 6.490 0.000 -1.942) 6.775 6.604 ( 11.563 0.000 11.950) 16.629 6.883 ( -0.111 0.000 -1.858) 1.862 7.023 ( -5.212 0.000 -2.730) 5.884 7.327 ( -8.660 0.000 24.861) 26.327 7.767 ( -2.684 0.000 5.068) 5.734 7.798 ( -1.803 0.000 2.908) 3.421 7.986 ( 5.537 0.000 -0.019) 5.537 8.935 ( -1.671 0.000 -4.578) 4.874 9.118 ( 0.531 0.000 1.936) 2.007 9.429 ( -3.656 0.000 -1.579) 3.982 ======================= Grid point 68 (25/147) ======================= q-point: ( 0.25 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 13.793 0.000 -1.018) 13.831 1.259 ( 12.797 0.000 2.883) 13.118 1.456 ( 2.708 0.000 13.458) 13.728 1.570 ( 3.569 0.000 2.577) 4.402 1.735 ( 15.395 0.000 17.782) 23.520 1.804 ( -0.997 0.000 0.842) 1.305 1.844 ( -1.620 0.000 4.249) 4.547 2.130 ( 0.899 0.000 11.662) 11.697 2.847 ( 5.132 0.000 -2.988) 5.938 2.996 ( -1.227 0.000 -0.716) 1.420 4.698 ( 7.054 0.000 -2.117) 7.364 4.810 ( 5.971 0.000 -0.860) 6.032 6.267 ( 15.283 0.000 -19.672) 24.911 6.465 ( 7.722 0.000 -6.679) 10.209 6.839 ( 12.378 0.000 11.906) 17.174 6.871 ( -1.115 0.000 -2.059) 2.341 6.933 ( -3.892 0.000 -1.986) 4.369 7.236 ( -1.850 0.000 18.159) 18.253 7.706 ( -3.633 0.000 5.579) 6.658 7.754 ( -2.690 0.000 3.144) 4.138 8.101 ( 6.249 0.000 0.060) 6.249 8.873 ( -4.459 0.000 -2.768) 5.248 9.132 ( 0.790 0.000 0.696) 1.053 9.354 ( -3.889 0.000 -1.593) 4.202 ======================= Grid point 69 (26/147) ======================= q-point: ( 0.33 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 237 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 12.248 0.000 -2.052) 12.418 1.432 ( 5.205 0.000 0.753) 5.259 1.467 ( 0.188 0.000 5.599) 5.602 1.640 ( 3.707 0.000 6.786) 7.733 1.769 ( -2.717 0.000 7.276) 7.767 1.853 ( 1.309 0.000 -1.238) 1.802 2.054 ( 15.421 0.000 13.416) 20.441 2.166 ( 3.618 0.000 10.098) 10.727 2.919 ( 2.096 0.000 -3.398) 3.992 2.962 ( -2.255 0.000 -1.476) 2.695 4.825 ( 5.986 0.000 -2.882) 6.643 4.915 ( 4.506 0.000 -1.951) 4.910 6.538 ( 12.020 0.000 -18.444) 22.015 6.606 ( 6.614 0.000 -8.525) 10.790 6.843 ( -1.652 0.000 -2.609) 3.088 6.874 ( -2.340 0.000 -2.746) 3.608 7.071 ( 11.240 0.000 9.736) 14.870 7.238 ( 2.109 0.000 14.209) 14.365 7.626 ( -4.620 0.000 5.571) 7.237 7.692 ( -3.817 0.000 3.696) 5.313 8.227 ( 6.755 0.000 0.198) 6.758 8.770 ( -6.098 0.000 -1.761) 6.347 9.148 ( 0.938 0.000 -0.641) 1.136 9.284 ( -3.255 0.000 -1.848) 3.744 ======================= Grid point 70 (27/147) ======================= q-point: ( 0.42 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 6.645 0.000 -0.323) 6.653 1.482 ( 0.478 0.000 -1.344) 1.426 1.502 ( 4.642 0.000 -0.590) 4.680 1.708 ( 3.274 0.000 9.341) 9.898 1.711 ( -3.295 0.000 6.356) 7.159 1.839 ( -2.798 0.000 3.301) 4.327 2.273 ( 6.436 0.000 6.227) 8.955 2.294 ( 8.542 0.000 8.824) 12.281 2.916 ( -1.945 0.000 -1.939) 2.747 2.929 ( -0.808 0.000 -2.774) 2.889 4.924 ( 4.098 0.000 -2.996) 5.076 4.976 ( 1.724 0.000 -2.603) 3.122 6.699 ( 4.691 0.000 -8.060) 9.326 6.730 ( 5.967 0.000 -14.110) 15.320 6.809 ( -1.892 0.000 -3.612) 4.077 6.838 ( -1.437 0.000 -5.291) 5.483 7.258 ( 7.864 0.000 8.623) 11.671 7.329 ( 7.273 0.000 8.951) 11.533 7.525 ( -5.885 0.000 5.603) 8.125 7.603 ( -5.448 0.000 4.393) 6.999 8.362 ( 7.152 0.000 0.053) 7.152 8.642 ( -6.995 0.000 -0.996) 7.065 9.168 ( 1.115 0.000 -1.689) 2.024 9.230 ( -2.319 0.000 -2.162) 3.170 ======================= Grid point 71 (28/147) ======================= q-point: (-0.50 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -1.890 0.000 -1.574) 2.459 1.466 ( 1.890 0.000 -1.574) 2.459 1.625 ( -5.996 0.000 1.646) 6.218 1.625 ( 5.996 0.000 1.646) 6.218 1.771 ( -3.475 0.000 8.203) 8.909 1.771 ( 3.475 0.000 8.203) 8.909 2.363 ( -1.405 0.000 5.805) 5.973 2.363 ( 1.405 0.000 5.805) 5.973 2.905 ( -0.887 0.000 -2.062) 2.245 2.905 ( 0.887 0.000 -2.062) 2.245 4.979 ( -1.426 0.000 -2.889) 3.221 4.979 ( 1.426 0.000 -2.889) 3.221 6.766 ( -2.635 0.000 -5.170) 5.803 6.766 ( 2.635 0.000 -5.170) 5.803 6.807 ( -2.246 0.000 -9.597) 9.856 6.807 ( 2.246 0.000 -9.597) 9.856 7.399 ( -6.976 0.000 6.710) 9.679 7.399 ( 6.976 0.000 6.710) 9.679 7.479 ( -7.352 0.000 5.567) 9.222 7.479 ( 7.352 0.000 5.567) 9.222 8.502 ( -7.292 0.000 -0.376) 7.301 8.502 ( 7.292 0.000 -0.376) 7.301 9.193 ( -1.544 0.000 -2.193) 2.682 9.193 ( 1.544 0.000 -2.193) 2.682 ======================= Grid point 78 (29/147) ======================= q-point: ( 0.00 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 18.513 7.728) 20.061 0.607 ( 0.000 15.219 15.716) 21.877 1.054 ( 0.000 27.271 20.624) 34.191 1.297 ( 0.000 -5.762 13.260) 14.457 1.530 ( 0.000 -4.623 -0.982) 4.726 1.939 ( 0.000 -0.476 5.214) 5.236 1.966 ( 0.000 1.154 9.317) 9.388 2.185 ( 0.000 5.079 -1.353) 5.256 2.477 ( 0.000 -4.478 2.594) 5.175 2.830 ( 0.000 -11.397 -0.805) 11.425 4.368 ( 0.000 -2.282 4.093) 4.686 4.508 ( 0.000 -5.975 2.059) 6.319 5.599 ( 0.000 8.015 2.596) 8.425 6.185 ( 0.000 -11.809 2.865) 12.152 6.217 ( 0.000 1.164 15.337) 15.381 6.643 ( 0.000 -18.230 26.008) 31.761 7.172 ( 0.000 0.671 -5.365) 5.407 7.306 ( 0.000 -13.191 7.443) 15.146 7.817 ( 0.000 0.279 2.266) 2.283 7.838 ( 0.000 -0.358 4.113) 4.129 8.538 ( 0.000 4.496 0.944) 4.595 8.883 ( 0.000 15.183 -8.193) 17.253 9.022 ( 0.000 -7.166 1.551) 7.332 9.464 ( 0.000 -4.947 -2.007) 5.339 ======================= Grid point 79 (30/147) ======================= q-point: ( 0.08 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 1.798 12.643 13.104) 18.297 0.729 ( 9.355 10.846 16.184) 21.612 1.204 ( 11.524 18.858 13.028) 25.654 1.352 ( 4.117 -8.398 15.071) 17.737 1.538 ( 1.659 0.886 0.708) 2.009 1.935 ( -0.755 0.996 8.114) 8.210 1.945 ( -1.813 1.400 3.683) 4.338 2.151 ( -1.583 4.111 4.301) 6.157 2.551 ( 5.764 -4.234 0.310) 7.159 2.874 ( 3.301 -12.106 -0.543) 12.560 4.408 ( 4.165 -2.759 2.892) 5.772 4.551 ( 3.857 -5.611 0.765) 6.852 5.722 ( 10.962 4.408 -7.032) 13.749 6.171 ( 1.898 -7.059 2.016) 7.582 6.355 ( 10.215 -2.372 13.495) 17.090 6.707 ( 5.572 -14.693 20.106) 25.518 7.132 ( -3.791 1.211 -4.546) 6.042 7.266 ( -3.624 -10.118 8.321) 13.592 7.811 ( -0.888 0.052 3.299) 3.417 7.823 ( -1.305 -0.253 3.797) 4.023 8.349 ( -10.428 19.166 1.782) 21.892 8.973 ( 2.773 6.618 -7.198) 10.164 9.021 ( 0.784 -8.202 3.008) 8.772 9.449 ( -1.714 -4.456 -2.035) 5.190 ======================= Grid point 80 (31/147) ======================= q-point: ( 0.17 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 12.948 1.228 7.486) 15.007 0.956 ( 13.740 3.974 14.480) 20.353 1.353 ( 3.128 -3.217 10.487) 11.406 1.431 ( 3.850 -12.039 10.563) 16.472 1.652 ( 9.964 19.899 6.083) 23.071 1.893 ( -2.501 3.682 5.717) 7.246 1.927 ( -0.439 2.673 3.235) 4.219 2.151 ( 1.511 4.470 8.859) 10.038 2.657 ( 4.708 -6.851 -1.541) 8.454 2.940 ( 3.650 -7.645 0.566) 8.491 4.520 ( 6.913 -3.299 0.049) 7.660 4.641 ( 5.279 -5.423 -0.345) 7.576 5.974 ( 14.455 1.249 -15.278) 21.070 6.260 ( 6.862 -6.006 -3.667) 9.828 6.579 ( 12.451 -1.186 13.631) 18.500 6.816 ( 4.935 -7.180 10.108) 13.344 7.043 ( -4.930 2.057 -2.948) 6.102 7.193 ( -3.316 -6.706 10.561) 12.942 7.773 ( -2.765 0.217 5.228) 5.918 7.796 ( -1.697 -0.339 3.206) 3.643 8.239 ( -1.509 18.889 0.819) 18.967 8.955 ( -2.848 -0.231 -2.901) 4.072 9.057 ( 1.712 -3.363 0.624) 3.825 9.398 ( -3.403 -3.662 -1.813) 5.318 ======================= Grid point 81 (32/147) ======================= q-point: ( 0.25 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 14.091 -1.679 -0.407) 14.197 1.224 ( 12.136 -1.092 9.346) 15.357 1.389 ( 2.595 -7.008 10.535) 12.917 1.529 ( 6.675 -8.893 9.978) 14.940 1.793 ( 2.178 11.042 3.146) 11.687 1.851 ( -1.931 4.382 5.549) 7.329 1.954 ( 3.613 5.693 6.185) 9.149 2.215 ( 5.479 9.855 8.817) 14.314 2.729 ( 2.955 -8.981 -2.115) 9.689 3.014 ( 3.691 -1.000 -0.523) 3.859 4.658 ( 6.966 -3.553 -2.007) 8.073 4.748 ( 5.498 -5.963 -1.237) 8.205 6.263 ( 14.792 -0.181 -17.836) 23.172 6.416 ( 8.671 -4.353 -7.849) 12.479 6.817 ( 10.773 -0.894 10.033) 14.749 6.880 ( 1.842 -0.774 2.278) 3.030 6.958 ( -3.031 2.560 -0.838) 4.055 7.158 ( 0.107 -6.036 13.807) 15.069 7.711 ( -3.609 0.465 5.546) 6.633 7.753 ( -2.770 -0.389 3.808) 4.725 8.257 ( 2.688 14.017 0.275) 14.275 8.881 ( -4.628 -0.393 -1.882) 5.012 9.084 ( 1.264 -3.256 -0.163) 3.497 9.325 ( -3.907 -3.312 -1.733) 5.407 ======================= Grid point 82 (33/147) ======================= q-point: ( 0.33 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 12.066 -2.126 -3.071) 12.630 1.365 ( 4.335 -4.840 1.815) 6.746 1.499 ( 6.500 0.833 10.342) 12.243 1.675 ( 6.305 -1.260 6.932) 9.455 1.787 ( -0.916 0.020 6.843) 6.904 1.821 ( -0.890 3.782 0.544) 3.923 2.017 ( 3.266 0.600 10.520) 11.032 2.339 ( 5.647 9.530 6.221) 12.705 2.787 ( 3.582 -4.610 -2.068) 6.193 3.068 ( 1.530 3.796 -1.887) 4.507 4.779 ( 5.418 -4.292 -2.757) 7.442 4.846 ( 4.360 -6.455 -2.074) 8.061 6.523 ( 11.288 -1.322 -16.186) 19.778 6.577 ( 7.667 -2.447 -10.348) 13.109 6.862 ( -1.254 1.440 -2.646) 3.263 6.879 ( -2.408 0.484 -2.913) 3.810 7.073 ( 10.828 0.245 10.092) 14.804 7.200 ( 4.028 -3.476 13.344) 14.366 7.633 ( -4.531 0.652 5.547) 7.192 7.688 ( -3.972 -0.522 4.280) 5.862 8.329 ( 4.539 9.869 0.287) 10.867 8.780 ( -5.746 0.431 -1.231) 5.892 9.108 ( 1.186 -3.400 -1.158) 3.783 9.253 ( -3.392 -3.316 -1.938) 5.124 ======================= Grid point 83 (34/147) ======================= q-point: ( 0.42 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 7.575 -1.563 -2.189) 8.038 1.467 ( 6.129 -3.115 -1.178) 6.976 1.567 ( 0.348 5.683 2.173) 6.094 1.725 ( 1.320 1.607 8.100) 8.363 1.755 ( -2.935 3.751 4.202) 6.351 1.823 ( -0.483 -1.402 5.280) 5.484 2.133 ( 8.524 -5.586 9.236) 13.754 2.384 ( -1.438 -0.627 4.905) 5.150 2.881 ( 5.923 4.411 -1.735) 7.587 3.065 ( -1.946 6.838 -2.274) 7.465 4.866 ( 3.517 -5.463 -2.825) 7.085 4.907 ( 1.774 -6.553 -2.598) 7.269 6.673 ( 4.672 -1.889 -8.416) 9.809 6.708 ( 4.845 -1.939 -12.847) 13.866 6.829 ( -1.347 1.390 -4.213) 4.637 6.851 ( -0.713 0.906 -5.830) 5.943 7.260 ( 8.150 0.158 8.709) 11.929 7.314 ( 7.698 -1.363 8.759) 11.740 7.533 ( -5.752 0.839 5.624) 8.088 7.597 ( -5.547 -0.690 4.742) 7.331 8.428 ( 5.582 6.544 0.236) 8.605 8.663 ( -6.230 1.850 -0.617) 6.528 9.131 ( 1.237 -3.451 -1.989) 4.171 9.197 ( -2.429 -3.416 -2.257) 4.761 ======================= Grid point 84 (35/147) ======================= q-point: (-0.50 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -4.603 0.588 -1.849) 4.995 1.474 ( 4.603 0.588 -1.849) 4.995 1.643 ( -6.748 1.342 0.297) 6.887 1.643 ( 6.748 1.342 0.297) 6.887 1.787 ( -2.829 2.058 9.149) 9.795 1.787 ( 2.829 2.058 9.149) 9.795 2.295 ( -7.167 -5.966 5.924) 11.048 2.295 ( 7.167 -5.966 5.924) 11.048 2.994 ( -5.119 7.858 -1.940) 9.577 2.994 ( 5.119 7.858 -1.940) 9.577 4.912 ( -1.145 -6.287 -2.767) 6.964 4.912 ( 1.145 -6.287 -2.767) 6.964 6.732 ( -1.587 -2.137 -7.200) 7.676 6.732 ( 1.587 -2.137 -7.200) 7.676 6.834 ( -1.195 1.441 -7.777) 7.999 6.834 ( 1.195 1.441 -7.777) 7.999 7.402 ( -6.220 0.204 6.782) 9.204 7.402 ( 6.220 0.204 6.782) 9.204 7.474 ( -6.587 -0.431 5.668) 8.701 7.474 ( 6.587 -0.431 5.668) 8.701 8.542 ( -6.152 3.884 -0.085) 7.276 8.542 ( 6.152 3.884 -0.085) 7.276 9.158 ( -1.617 -3.462 -2.358) 4.490 9.158 ( 1.617 -3.462 -2.358) 4.490 ======================= Grid point 91 (36/147) ======================= q-point: ( 0.00 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.000 17.788 2.134) 17.915 0.891 ( 0.000 14.480 13.565) 19.841 1.140 ( 0.000 -10.768 13.588) 17.338 1.170 ( 0.000 -11.490 2.262) 11.710 1.777 ( 0.000 20.459 3.248) 20.715 1.922 ( 0.000 -1.765 4.530) 4.862 2.033 ( 0.000 10.138 13.213) 16.654 2.310 ( 0.000 8.393 -3.872) 9.243 2.337 ( 0.000 -12.182 7.206) 14.154 2.540 ( 0.000 -17.266 -2.355) 17.426 4.344 ( 0.000 0.337 2.907) 2.926 4.395 ( 0.000 -5.013 2.393) 5.555 5.782 ( 0.000 10.722 1.096) 10.778 5.978 ( 0.000 -10.275 1.369) 10.366 6.261 ( 0.000 4.002 19.029) 19.445 6.386 ( 0.000 -9.774 24.824) 26.679 7.187 ( 0.000 0.957 -4.988) 5.079 7.210 ( 0.000 -1.775 -3.299) 3.746 7.823 ( 0.000 0.337 2.963) 2.982 7.830 ( 0.000 -0.406 3.588) 3.611 8.662 ( 0.000 8.544 1.711) 8.714 8.841 ( 0.000 -9.968 2.657) 10.316 9.137 ( 0.000 11.534 -4.937) 12.547 9.332 ( 0.000 -9.037 -2.760) 9.449 ======================= Grid point 92 (37/147) ======================= q-point: ( 0.08 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -3.472 18.496 5.848) 19.706 0.958 ( 4.318 12.270 13.992) 19.104 1.125 ( -0.896 -14.508 5.965) 15.712 1.192 ( 1.958 -10.256 12.440) 16.241 1.844 ( 4.878 13.029 2.386) 14.116 1.930 ( 0.644 -1.367 4.374) 4.628 2.059 ( 3.107 16.292 11.185) 20.005 2.248 ( -1.774 4.253 1.864) 4.971 2.448 ( 5.590 -5.529 0.624) 7.887 2.570 ( 4.469 -18.711 1.272) 19.279 4.380 ( 3.682 0.425 1.877) 4.155 4.436 ( 3.888 -5.365 0.991) 6.699 5.847 ( 6.618 8.354 -3.381) 11.181 6.011 ( 3.882 -8.932 -1.329) 9.830 6.367 ( 9.722 3.327 18.339) 21.022 6.480 ( 8.694 -9.003 22.613) 25.845 7.157 ( -2.932 1.372 -4.334) 5.410 7.184 ( -2.501 -1.816 -2.510) 3.981 7.813 ( -1.116 0.175 3.506) 3.684 7.818 ( -1.206 -0.308 3.594) 3.804 8.617 ( -3.560 11.981 1.540) 12.594 8.833 ( -0.855 -11.125 2.062) 11.346 9.142 ( 0.169 10.218 -4.038) 10.988 9.324 ( -0.962 -8.661 -2.621) 9.100 ======================= Grid point 93 (38/147) ======================= q-point: ( 0.17 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 4.769 14.583 8.213) 17.403 1.060 ( 5.300 0.074 9.719) 11.070 1.139 ( 3.969 -8.387 10.656) 14.129 1.255 ( 4.864 -8.484 15.427) 18.266 1.898 ( 0.602 3.615 4.892) 6.112 1.937 ( -0.123 -0.929 3.759) 3.874 2.124 ( 1.769 17.670 4.118) 18.230 2.272 ( 4.066 4.809 4.260) 7.603 2.533 ( 5.128 -1.783 0.304) 5.438 2.725 ( 9.823 -14.794 2.800) 17.978 4.479 ( 6.175 -0.133 -0.309) 6.184 4.529 ( 5.416 -5.251 -0.767) 7.583 6.029 ( 11.713 4.639 -10.150) 16.178 6.137 ( 8.847 -6.544 -6.548) 12.805 6.590 ( 12.333 2.482 15.916) 20.288 6.675 ( 10.344 -6.575 17.109) 21.046 7.084 ( -4.321 2.079 -2.720) 5.513 7.121 ( -3.695 -2.216 -0.269) 4.317 7.778 ( -2.395 0.374 4.562) 5.166 7.787 ( -1.980 -0.553 3.810) 4.330 8.558 ( -2.177 15.037 1.011) 15.227 8.810 ( -1.431 -11.947 1.119) 12.084 9.134 ( -1.055 8.153 -2.801) 8.685 9.290 ( -2.554 -7.663 -2.282) 8.394 ======================= Grid point 94 (39/147) ======================= q-point: ( 0.25 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 10.351 7.425 2.968) 13.080 1.144 ( 4.695 -10.204 3.650) 11.811 1.304 ( 11.300 1.855 15.256) 19.075 1.388 ( 8.814 -6.108 14.718) 18.210 1.883 ( -1.936 2.692 5.778) 6.662 1.919 ( -1.837 -0.594 3.037) 3.599 2.135 ( -0.015 12.959 3.692) 13.475 2.333 ( 1.423 -4.720 2.351) 5.462 2.684 ( 9.845 9.378 0.960) 13.631 2.911 ( 8.870 -10.228 0.704) 13.556 4.603 ( 6.168 -1.280 -1.911) 6.583 4.635 ( 5.290 -4.698 -1.759) 7.291 6.276 ( 13.099 1.907 -13.890) 19.187 6.334 ( 10.821 -4.026 -10.628) 15.692 6.817 ( 10.063 0.956 10.290) 14.425 6.848 ( 6.507 -2.105 7.719) 10.313 7.008 ( -2.540 2.629 0.866) 3.757 7.064 ( -0.965 -3.765 5.682) 6.884 7.723 ( -3.298 0.800 5.109) 6.133 7.740 ( -2.948 -0.922 4.499) 5.458 8.536 ( -0.225 14.623 0.582) 14.636 8.777 ( -1.975 -10.562 0.422) 10.753 9.107 ( -1.456 5.541 -2.249) 6.155 9.230 ( -3.351 -6.524 -2.107) 7.631 ======================= Grid point 95 (40/147) ======================= q-point: ( 0.33 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 10.704 2.860 -2.004) 11.260 1.258 ( 6.941 -5.986 -0.094) 9.166 1.523 ( 10.325 2.251 13.155) 16.874 1.589 ( 11.297 -4.805 12.761) 17.708 1.827 ( -3.662 2.685 4.662) 6.508 1.865 ( -3.691 -0.761 2.621) 4.591 2.130 ( -0.359 10.631 4.763) 11.654 2.332 ( -1.463 -8.898 2.516) 9.362 2.878 ( 9.514 11.531 -0.312) 14.953 3.056 ( 5.945 -5.533 -1.012) 8.185 4.706 ( 4.314 -2.260 -2.536) 5.491 4.728 ( 4.085 -4.641 -2.335) 6.609 6.509 ( 10.193 0.221 -13.419) 16.853 6.532 ( 9.215 -2.082 -12.518) 15.683 6.882 ( -1.152 0.646 -2.814) 3.108 6.887 ( -2.038 0.164 -3.057) 3.678 7.087 ( 9.376 1.507 10.961) 14.503 7.132 ( 6.990 -3.271 12.039) 14.300 7.650 ( -4.315 1.112 5.363) 6.972 7.672 ( -4.120 -1.155 4.955) 6.546 8.544 ( 1.037 11.969 0.497) 12.024 8.732 ( -2.735 -6.828 0.211) 7.358 9.084 ( -0.770 2.193 -2.360) 3.312 9.167 ( -2.995 -5.397 -2.271) 6.577 ======================= Grid point 96 (41/147) ======================= q-point: ( 0.42 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 8.532 1.436 -2.840) 9.106 1.404 ( 7.549 -3.207 -2.269) 8.510 1.664 ( 1.462 4.819 4.252) 6.591 1.739 ( -0.732 -2.173 3.290) 4.010 1.781 ( 0.322 1.146 6.573) 6.680 1.814 ( 3.518 -0.961 9.443) 10.122 2.130 ( 0.901 5.611 6.423) 8.576 2.279 ( -3.937 -8.497 4.083) 10.216 3.037 ( 6.641 9.019 -1.431) 11.291 3.134 ( 1.915 -0.446 -1.901) 2.735 4.770 ( 2.372 -3.187 -2.571) 4.732 4.786 ( 1.813 -4.764 -2.571) 5.708 6.653 ( 4.780 0.014 -9.762) 10.870 6.671 ( 4.537 -1.711 -11.313) 12.308 6.850 ( -1.032 0.805 -4.984) 5.153 6.859 ( -0.768 -0.119 -5.564) 5.618 7.267 ( 8.537 0.658 8.746) 12.239 7.286 ( 8.375 -1.419 8.636) 12.114 7.554 ( -5.589 1.274 5.562) 7.987 7.578 ( -5.581 -1.238 5.262) 7.770 8.573 ( 1.935 7.918 0.599) 8.173 8.675 ( -3.035 -1.952 0.392) 3.630 9.078 ( 0.135 -0.792 -2.714) 2.831 9.118 ( -2.018 -4.210 -2.625) 5.356 ======================= Grid point 97 (42/147) ======================= q-point: (-0.50 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -2.390 0.180 -2.111) 3.194 1.481 ( 2.390 0.180 -2.111) 3.194 1.657 ( -3.089 0.183 -1.102) 3.285 1.657 ( 3.089 0.183 -1.102) 3.285 1.846 ( -2.289 3.081 9.782) 10.508 1.846 ( 2.289 3.081 9.782) 10.508 2.188 ( -4.770 -4.148 6.276) 8.908 2.188 ( 4.770 -4.148 6.276) 8.908 3.128 ( -2.573 4.681 -1.995) 5.702 3.128 ( 2.573 4.681 -1.995) 5.702 4.798 ( -0.469 -4.223 -2.555) 4.958 4.798 ( 0.469 -4.223 -2.555) 4.958 6.704 ( -0.690 -0.761 -8.179) 8.243 6.704 ( 0.690 -0.761 -8.179) 8.243 6.849 ( -0.470 0.270 -7.084) 7.105 6.849 ( 0.470 0.270 -7.084) 7.105 7.404 ( -2.715 0.038 6.723) 7.251 7.404 ( 2.715 0.038 6.723) 7.251 7.467 ( -2.886 -0.211 5.971) 6.635 7.467 ( 2.886 -0.211 5.971) 6.635 8.618 ( -2.670 3.103 0.597) 4.136 8.618 ( 2.670 3.103 0.597) 4.136 9.089 ( -1.008 -2.809 -2.846) 4.124 9.089 ( 1.008 -2.809 -2.846) 4.124 ======================= Grid point 130 (43/147) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 0.000 0.000 18.998) 18.998 0.775 ( 0.000 0.000 19.102) 19.102 1.388 ( 0.000 0.000 32.700) 32.700 1.615 ( 0.000 0.000 -0.246) 0.246 1.642 ( 0.000 0.000 14.665) 14.665 2.014 ( 0.000 0.000 0.595) 0.595 2.026 ( 0.000 0.000 -1.101) 1.101 2.320 ( 0.000 0.000 16.477) 16.477 2.626 ( 0.000 0.000 9.454) 9.454 2.933 ( 0.000 0.000 1.291) 1.291 4.528 ( 0.000 0.000 8.011) 8.011 4.628 ( 0.000 0.000 3.797) 3.797 5.629 ( 0.000 0.000 8.161) 8.161 6.368 ( 0.000 0.000 3.356) 3.356 6.550 ( 0.000 0.000 19.385) 19.385 6.835 ( 0.000 0.000 -2.419) 2.419 7.045 ( 0.000 0.000 -6.274) 6.274 7.829 ( 0.000 0.000 0.042) 0.042 7.927 ( 0.000 0.000 5.578) 5.578 7.929 ( 0.000 0.000 4.030) 4.030 8.403 ( 0.000 0.000 -6.229) 6.229 8.514 ( 0.000 0.000 1.235) 1.235 9.178 ( 0.000 0.000 3.705) 3.705 9.464 ( 0.000 0.000 -2.819) 2.819 ======================= Grid point 131 (44/147) ======================= q-point: ( 0.08 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 5.321 0.000 16.484) 17.321 0.878 ( 9.805 0.000 15.541) 18.376 1.458 ( 6.608 0.000 27.340) 28.127 1.605 ( 0.089 0.000 1.622) 1.624 1.751 ( 8.855 0.000 15.472) 17.827 1.912 ( -5.741 0.000 -2.089) 6.109 2.088 ( 1.779 0.000 5.102) 5.403 2.328 ( 0.935 0.000 15.061) 15.090 2.652 ( 2.429 0.000 6.639) 7.070 2.969 ( 2.731 0.000 0.453) 2.769 4.539 ( 1.225 0.000 6.410) 6.526 4.650 ( 2.261 0.000 3.072) 3.814 5.640 ( 1.839 0.000 3.676) 4.111 6.320 ( -2.546 0.000 3.740) 4.525 6.668 ( 9.567 0.000 16.724) 19.267 6.837 ( 0.135 0.000 -2.508) 2.512 7.020 ( -2.374 0.000 -5.268) 5.778 7.849 ( 1.404 0.000 0.813) 1.622 7.923 ( -0.566 0.000 4.208) 4.246 7.932 ( 0.866 0.000 4.871) 4.947 8.022 ( -20.861 0.000 8.876) 22.671 8.747 ( 8.381 0.000 -7.048) 10.950 9.175 ( -0.289 0.000 3.496) 3.508 9.444 ( -2.076 0.000 -2.712) 3.416 ======================= Grid point 132 (45/147) ======================= q-point: ( 0.17 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 237 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 7.436 0.000 11.350) 13.568 1.109 ( 12.846 0.000 9.528) 15.994 1.573 ( 2.812 0.000 5.626) 6.290 1.656 ( 6.205 0.000 15.066) 16.294 1.814 ( -3.921 0.000 -1.648) 4.253 1.934 ( 9.754 0.000 21.098) 23.244 2.088 ( -1.465 0.000 10.082) 10.188 2.355 ( 1.529 0.000 13.557) 13.643 2.710 ( 3.352 0.000 0.793) 3.444 3.001 ( 0.200 0.000 0.076) 0.214 4.581 ( 3.122 0.000 2.521) 4.013 4.711 ( 3.816 0.000 1.213) 4.004 5.728 ( 7.537 0.000 -6.359) 9.861 6.305 ( 1.149 0.000 0.080) 1.152 6.836 ( -0.344 0.000 -2.756) 2.777 6.872 ( 10.975 0.000 14.667) 18.319 6.960 ( -3.643 0.000 -3.453) 5.019 7.702 ( -12.040 0.000 13.472) 18.068 7.853 ( -0.981 0.000 3.390) 3.529 7.899 ( -1.880 0.000 6.511) 6.777 7.991 ( 4.949 0.000 0.944) 5.038 8.825 ( 0.657 0.000 -6.174) 6.209 9.166 ( -0.683 0.000 2.653) 2.739 9.388 ( -3.543 0.000 -2.537) 4.358 ======================= Grid point 133 (46/147) ======================= q-point: ( 0.25 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 9.578 0.000 5.841) 11.219 1.337 ( 9.748 0.000 4.863) 10.893 1.594 ( -0.183 0.000 2.317) 2.324 1.768 ( 4.397 0.000 15.227) 15.849 1.777 ( 0.456 0.000 -0.486) 0.666 2.042 ( -3.035 0.000 11.326) 11.726 2.139 ( 11.338 0.000 21.040) 23.900 2.374 ( 0.299 0.000 12.936) 12.939 2.776 ( 3.401 0.000 -3.622) 4.968 2.980 ( -2.090 0.000 -0.603) 2.175 4.658 ( 4.766 0.000 -1.376) 4.960 4.790 ( 4.198 0.000 -1.049) 4.327 5.924 ( 12.177 0.000 -14.569) 18.988 6.358 ( 4.024 0.000 -4.374) 5.943 6.819 ( -1.543 0.000 -3.184) 3.538 6.885 ( -4.013 0.000 -2.765) 4.874 7.081 ( 10.379 0.000 12.354) 16.135 7.538 ( -5.430 0.000 12.442) 13.575 7.821 ( -2.272 0.000 4.846) 5.353 7.851 ( -3.067 0.000 7.078) 7.714 8.104 ( 6.377 0.000 0.290) 6.384 8.798 ( -3.034 0.000 -4.700) 5.595 9.150 ( -0.855 0.000 1.156) 1.438 9.312 ( -4.075 0.000 -2.574) 4.820 ======================= Grid point 134 (47/147) ======================= q-point: ( 0.33 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 237 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 11.179 0.000 2.091) 11.373 1.463 ( 3.398 0.000 2.341) 4.127 1.568 ( -2.183 0.000 4.730) 5.209 1.821 ( 2.492 0.000 0.872) 2.640 1.841 ( 3.519 0.000 12.242) 12.737 1.983 ( -2.528 0.000 10.451) 10.753 2.349 ( 9.584 0.000 15.246) 18.008 2.373 ( 0.179 0.000 10.323) 10.324 2.835 ( 2.527 0.000 -4.429) 5.099 2.929 ( -2.991 0.000 -1.435) 3.317 4.757 ( 5.128 0.000 -3.727) 6.339 4.864 ( 3.232 0.000 -2.991) 4.403 6.175 ( 13.072 0.000 -17.809) 22.092 6.450 ( 5.170 0.000 -7.567) 9.164 6.774 ( -3.080 0.000 -4.275) 5.269 6.806 ( -4.062 0.000 -3.948) 5.665 7.270 ( 8.993 0.000 10.039) 13.478 7.479 ( -0.816 0.000 10.496) 10.528 7.757 ( -4.478 0.000 7.022) 8.328 7.788 ( -3.367 0.000 5.922) 6.812 8.231 ( 6.696 0.000 0.182) 6.699 8.718 ( -4.977 0.000 -3.409) 6.033 9.135 ( -0.627 0.000 -0.566) 0.845 9.236 ( -3.651 0.000 -2.893) 4.658 ======================= Grid point 135 (48/147) ======================= q-point: ( 0.42 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 9.651 0.000 1.621) 9.786 1.492 ( 0.173 0.000 2.175) 2.182 1.536 ( 0.215 0.000 3.964) 3.970 1.797 ( -5.168 0.000 2.802) 5.879 1.904 ( 2.894 0.000 10.146) 10.551 1.966 ( -0.033 0.000 8.511) 8.511 2.405 ( 3.314 0.000 6.102) 6.944 2.482 ( 3.482 0.000 8.869) 9.528 2.868 ( 0.738 0.000 -2.760) 2.857 2.878 ( -1.754 0.000 -1.155) 2.100 4.847 ( 3.964 0.000 -4.622) 6.089 4.908 ( 1.082 0.000 -4.210) 4.347 6.409 ( 10.658 0.000 -16.559) 19.693 6.551 ( 5.101 0.000 -8.470) 9.887 6.697 ( -4.895 0.000 -7.717) 9.138 6.728 ( -4.077 0.000 -5.511) 6.855 7.424 ( 6.719 0.000 8.138) 10.553 7.507 ( 3.877 0.000 8.855) 9.667 7.655 ( -5.820 0.000 7.201) 9.259 7.712 ( -4.580 0.000 6.332) 7.815 8.361 ( 6.680 0.000 -0.232) 6.684 8.611 ( -6.013 0.000 -2.185) 6.398 9.129 ( 0.047 0.000 -2.035) 2.036 9.176 ( -2.514 0.000 -3.164) 4.041 ======================= Grid point 136 (49/147) ======================= q-point: (-0.50 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.595 0.000 3.387) 3.439 1.486 ( 0.595 0.000 3.387) 3.439 1.653 ( -8.938 0.000 1.546) 9.071 1.653 ( 8.938 0.000 1.546) 9.071 1.949 ( -1.681 0.000 9.150) 9.303 1.949 ( 1.681 0.000 9.150) 9.303 2.479 ( -3.154 0.000 4.724) 5.681 2.479 ( 3.154 0.000 4.724) 5.681 2.868 ( -0.313 0.000 -0.905) 0.958 2.868 ( 0.313 0.000 -0.905) 0.958 4.903 ( -1.630 0.000 -4.706) 4.980 4.903 ( 1.630 0.000 -4.706) 4.980 6.581 ( -7.248 0.000 -12.487) 14.438 6.581 ( 7.248 0.000 -12.487) 14.438 6.645 ( -4.580 0.000 -7.307) 8.624 6.645 ( 4.580 0.000 -7.307) 8.624 7.540 ( -5.862 0.000 7.238) 9.314 7.540 ( 5.862 0.000 7.238) 9.314 7.610 ( -5.795 0.000 7.386) 9.388 7.610 ( 5.795 0.000 7.386) 9.388 8.489 ( -6.498 0.000 -1.071) 6.586 8.489 ( 6.498 0.000 -1.071) 6.586 9.140 ( -1.158 0.000 -2.939) 3.158 9.140 ( 1.158 0.000 -2.939) 3.158 ======================= Grid point 143 (50/147) ======================= q-point: ( 0.00 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 10.133 14.748) 17.894 0.907 ( 0.000 11.813 15.294) 19.325 1.478 ( 0.000 -7.836 10.212) 12.873 1.582 ( 0.000 -6.262 13.924) 15.267 1.606 ( 0.000 16.158 18.716) 24.726 2.017 ( 0.000 0.168 1.673) 1.681 2.048 ( 0.000 2.762 -1.165) 2.998 2.343 ( 0.000 2.442 16.397) 16.578 2.585 ( 0.000 -4.248 8.601) 9.593 2.853 ( 0.000 -8.556 4.087) 9.482 4.485 ( 0.000 -3.716 7.441) 8.317 4.566 ( 0.000 -5.694 3.871) 6.885 5.695 ( 0.000 6.541 7.318) 9.815 6.249 ( 0.000 -10.520 4.208) 11.330 6.575 ( 0.000 2.785 19.620) 19.817 6.848 ( 0.000 -0.005 0.980) 0.980 7.055 ( 0.000 1.069 -5.927) 6.023 7.525 ( 0.000 -24.707 11.922) 27.433 7.853 ( 0.000 0.942 1.059) 1.417 7.919 ( 0.000 -0.979 3.627) 3.756 8.565 ( 0.000 5.424 1.838) 5.727 8.708 ( 0.000 19.118 -8.302) 20.843 9.095 ( 0.000 -7.913 4.517) 9.112 9.413 ( 0.000 -5.424 -3.027) 6.212 ======================= Grid point 144 (51/147) ======================= q-point: ( 0.08 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 2.956 7.702 16.312) 18.280 1.007 ( 8.576 10.817 12.918) 18.905 1.492 ( 0.812 -10.605 5.739) 12.085 1.580 ( 2.263 3.198 15.728) 16.209 1.732 ( 9.521 7.000 18.127) 21.639 1.946 ( -3.804 2.646 -1.052) 4.752 2.105 ( 2.496 1.886 5.138) 6.015 2.349 ( 0.747 2.313 15.232) 15.424 2.604 ( 1.750 -4.808 6.057) 7.929 2.896 ( 3.662 -7.802 3.394) 9.263 4.496 ( 1.299 -3.674 6.006) 7.159 4.587 ( 2.114 -5.881 2.943) 6.908 5.701 ( 1.371 6.149 3.558) 7.235 6.221 ( -1.580 -9.156 3.395) 9.892 6.672 ( 8.388 1.305 17.250) 19.226 6.857 ( 0.851 0.684 0.343) 1.144 7.033 ( -2.054 1.420 -4.870) 5.473 7.502 ( -2.146 -22.116 12.463) 25.477 7.858 ( 0.464 0.701 1.604) 1.811 7.913 ( -0.626 -0.950 4.334) 4.481 8.390 ( -9.890 17.394 2.159) 20.126 8.827 ( 5.080 8.120 -6.956) 11.838 9.094 ( -0.062 -7.700 4.093) 8.720 9.398 ( -1.586 -4.945 -2.990) 5.993 ======================= Grid point 145 (52/147) ======================= q-point: ( 0.17 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 5.941 4.916 13.894) 15.890 1.199 ( 10.415 6.704 10.186) 16.036 1.511 ( 1.838 -8.970 4.696) 10.290 1.658 ( 4.733 0.140 14.232) 14.999 1.856 ( -0.528 5.421 2.151) 5.856 1.946 ( 6.332 2.950 13.169) 14.907 2.136 ( 1.343 4.549 11.596) 12.529 2.375 ( 1.953 2.416 13.479) 13.833 2.643 ( 2.084 -6.101 1.303) 6.577 2.964 ( 2.881 -4.539 2.121) 5.779 4.540 ( 3.285 -3.540 2.344) 5.368 4.644 ( 3.582 -6.284 0.794) 7.276 5.776 ( 6.665 4.895 -5.254) 9.797 6.221 ( 1.848 -7.820 -0.497) 8.051 6.831 ( 4.727 0.199 5.792) 7.479 6.886 ( 3.398 0.380 4.240) 5.447 6.990 ( -1.064 3.107 -0.091) 3.286 7.455 ( -2.334 -15.530 12.862) 20.299 7.862 ( -0.329 0.218 3.283) 3.307 7.892 ( -1.681 -0.722 5.911) 6.188 8.265 ( -2.835 18.807 1.830) 19.107 8.866 ( -0.544 3.861 -5.413) 6.671 9.092 ( -0.125 -6.624 2.552) 7.099 9.351 ( -3.204 -4.141 -2.821) 5.948 ======================= Grid point 146 (53/147) ======================= q-point: ( 0.25 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 8.024 2.142 8.479) 11.869 1.367 ( 5.782 -0.507 6.241) 8.523 1.583 ( 5.651 -0.895 6.832) 8.911 1.745 ( 4.396 -1.180 12.053) 12.884 1.829 ( -1.190 4.622 0.948) 4.866 2.016 ( -0.243 -1.034 10.774) 10.826 2.195 ( 4.380 4.174 15.781) 16.901 2.425 ( 3.308 4.924 11.886) 13.284 2.685 ( 2.376 -6.311 -1.630) 6.937 3.006 ( 1.487 0.289 -0.123) 1.520 4.620 ( 4.703 -3.531 -1.458) 6.059 4.720 ( 4.043 -6.640 -1.410) 7.901 5.954 ( 11.275 3.158 -13.085) 17.559 6.289 ( 4.860 -6.388 -5.246) 9.589 6.840 ( -1.488 1.636 -2.789) 3.559 6.883 ( -3.390 -0.236 -2.631) 4.297 7.098 ( 9.274 1.877 12.000) 15.281 7.423 ( -0.769 -8.952 11.902) 14.913 7.836 ( -2.616 0.484 5.860) 6.436 7.850 ( -2.417 -0.154 6.324) 6.772 8.266 ( 2.350 14.524 0.697) 14.730 8.824 ( -3.455 2.189 -3.822) 5.598 9.088 ( -0.303 -5.536 0.576) 5.575 9.280 ( -4.021 -3.707 -2.804) 6.146 ======================= Grid point 147 (54/147) ======================= q-point: ( 0.33 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 9.873 -0.573 3.706) 10.561 1.434 ( 2.289 -4.184 4.906) 6.842 1.656 ( -0.272 7.548 4.287) 8.685 1.829 ( 3.616 1.247 6.795) 7.798 1.843 ( 2.742 -0.173 5.998) 6.597 1.983 ( -1.714 -0.225 10.066) 10.214 2.259 ( 2.413 -2.874 12.893) 13.428 2.492 ( 2.633 3.315 8.547) 9.538 2.747 ( 4.344 -1.275 -1.243) 4.695 3.022 ( 0.196 4.449 -2.404) 5.061 4.713 ( 4.674 -4.094 -3.672) 7.218 4.793 ( 3.274 -6.742 -3.145) 8.128 6.189 ( 12.269 1.463 -16.592) 20.687 6.396 ( 5.910 -4.784 -8.645) 11.513 6.792 ( -3.248 1.331 -4.283) 5.538 6.808 ( -4.049 0.176 -4.129) 5.786 7.275 ( 8.742 0.693 10.186) 13.441 7.430 ( 1.576 -4.187 10.191) 11.129 7.765 ( -4.546 0.627 7.342) 8.659 7.795 ( -3.413 0.312 6.260) 7.137 8.336 ( 4.513 10.221 0.377) 11.179 8.742 ( -4.818 2.091 -2.604) 5.862 9.083 ( -0.186 -4.855 -1.223) 5.010 9.202 ( -3.764 -3.653 -3.084) 6.084 ======================= Grid point 148 (55/147) ======================= q-point: ( 0.42 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 8.805 -1.948 2.255) 9.296 1.490 ( 4.062 -3.345 3.357) 6.242 1.602 ( -3.700 6.629 2.100) 7.876 1.799 ( -5.920 -0.298 2.012) 6.260 1.916 ( 3.772 1.500 9.836) 10.641 1.986 ( 0.668 2.086 9.111) 9.371 2.323 ( 4.697 -4.771 9.030) 11.241 2.498 ( -2.042 -2.956 6.011) 7.003 2.850 ( 5.788 5.291 -0.818) 7.885 3.008 ( -1.773 6.804 -3.088) 7.679 4.793 ( 3.411 -5.108 -4.440) 7.579 4.839 ( 1.289 -6.533 -4.185) 7.865 6.407 ( 9.801 -0.082 -15.688) 18.498 6.505 ( 4.969 -3.653 -9.606) 11.415 6.718 ( -4.189 1.276 -7.571) 8.746 6.730 ( -3.970 0.210 -5.878) 7.096 7.428 ( 6.843 0.472 8.358) 10.812 7.490 ( 4.778 -1.565 8.733) 10.077 7.665 ( -5.658 0.944 7.306) 9.289 7.715 ( -4.942 -0.008 6.842) 8.440 8.432 ( 5.273 7.076 0.092) 8.826 8.643 ( -5.378 3.036 -1.514) 6.358 9.084 ( 0.359 -4.385 -2.577) 5.099 9.139 ( -2.690 -3.799 -3.391) 5.759 ======================= Grid point 149 (56/147) ======================= q-point: (-0.50 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -4.828 0.046 3.022) 5.696 1.487 ( 4.828 0.046 3.022) 5.696 1.651 ( -8.262 -0.308 0.822) 8.309 1.651 ( 8.262 -0.308 0.822) 8.309 1.973 ( -1.944 2.694 9.242) 9.821 1.973 ( 1.944 2.694 9.242) 9.821 2.425 ( -5.074 -4.780 6.373) 9.446 2.425 ( 5.074 -4.780 6.373) 9.446 2.950 ( -4.218 7.258 -2.115) 8.657 2.950 ( 4.218 7.258 -2.115) 8.657 4.839 ( -1.243 -6.006 -4.543) 7.633 4.839 ( 1.243 -6.006 -4.543) 7.633 6.546 ( -3.129 -2.527 -11.295) 11.989 6.546 ( 3.129 -2.527 -11.295) 11.989 6.668 ( -1.085 1.318 -8.842) 9.005 6.668 ( 1.085 1.318 -8.842) 9.005 7.546 ( -5.448 0.519 7.512) 9.294 7.546 ( 5.448 0.519 7.512) 9.294 7.607 ( -5.642 -0.235 7.515) 9.400 7.607 ( 5.642 -0.235 7.515) 9.400 8.537 ( -5.495 4.739 -0.559) 7.277 8.537 ( 5.495 4.739 -0.559) 7.278 9.100 ( -1.377 -4.046 -3.303) 5.402 9.100 ( 1.377 -4.046 -3.303) 5.402 ======================= Grid point 156 (57/147) ======================= q-point: ( 0.00 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.000 12.693 8.266) 15.147 1.119 ( 0.000 5.690 8.983) 10.634 1.291 ( 0.000 -5.301 9.754) 11.102 1.421 ( 0.000 -10.395 13.390) 16.952 1.930 ( 0.000 10.173 10.408) 14.554 2.010 ( 0.000 -1.322 3.565) 3.802 2.196 ( 0.000 16.043 2.265) 16.202 2.417 ( 0.000 5.985 16.926) 17.953 2.470 ( 0.000 -8.726 4.633) 9.880 2.619 ( 0.000 -15.370 12.906) 20.070 4.431 ( 0.000 -1.108 5.712) 5.818 4.462 ( 0.000 -4.310 4.320) 6.103 5.850 ( 0.000 9.590 5.844) 11.230 6.042 ( 0.000 -10.897 5.051) 12.011 6.660 ( 0.000 6.380 19.326) 20.351 6.792 ( 0.000 -6.233 12.422) 13.898 7.088 ( 0.000 2.764 -4.012) 4.872 7.192 ( 0.000 -10.295 4.316) 11.163 7.875 ( 0.000 1.231 1.850) 2.222 7.898 ( 0.000 -1.218 2.781) 3.036 8.707 ( 0.000 9.430 2.810) 9.839 8.894 ( 0.000 -8.828 1.524) 8.958 9.040 ( 0.000 12.621 -3.355) 13.059 9.265 ( 0.000 -10.262 -3.678) 10.901 ======================= Grid point 157 (58/147) ======================= q-point: ( 0.08 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.699 12.246 11.132) 16.564 1.164 ( 2.874 -2.389 7.624) 8.491 1.315 ( 3.415 0.825 12.349) 12.839 1.474 ( 4.393 -9.461 13.579) 17.123 1.959 ( 2.532 6.432 7.775) 10.403 1.993 ( -1.229 1.428 1.540) 2.434 2.228 ( 2.666 13.819 6.343) 15.437 2.408 ( -0.397 1.248 13.117) 13.183 2.503 ( 3.102 -2.382 7.346) 8.322 2.682 ( 5.809 -14.362 10.262) 18.583 4.444 ( 1.385 -0.998 4.554) 4.864 4.478 ( 1.679 -4.584 3.264) 5.873 5.849 ( 0.532 9.173 3.212) 9.733 6.032 ( -0.305 -10.280 3.208) 10.773 6.730 ( 6.236 4.801 16.453) 18.238 6.826 ( 2.930 -4.228 9.152) 10.499 7.077 ( -0.958 3.506 -2.382) 4.345 7.195 ( 0.328 -10.533 6.274) 12.264 7.874 ( -0.109 0.945 2.434) 2.613 7.893 ( -0.472 -1.097 3.391) 3.595 8.658 ( -4.050 12.555 2.478) 13.422 8.875 ( -1.782 -9.716 1.496) 9.991 9.061 ( 1.360 10.264 -3.194) 10.835 9.261 ( -0.679 -9.584 -3.559) 10.246 ======================= Grid point 158 (59/147) ======================= q-point: ( 0.17 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 3.783 10.630 12.618) 16.927 1.215 ( 2.678 -8.685 8.181) 12.228 1.427 ( 7.746 4.821 14.327) 16.985 1.566 ( 5.049 -7.821 14.621) 17.333 1.972 ( -0.926 4.216 -0.433) 4.338 2.004 ( 1.369 1.102 5.195) 5.484 2.272 ( 1.465 9.034 10.562) 13.975 2.408 ( 0.309 -3.392 8.947) 9.574 2.592 ( 6.159 6.686 7.034) 11.494 2.812 ( 6.935 -11.778 6.168) 14.995 4.488 ( 3.229 -0.980 1.509) 3.696 4.526 ( 3.215 -4.970 0.688) 5.959 5.898 ( 4.908 7.828 -3.425) 9.854 6.057 ( 3.260 -9.027 -1.797) 9.764 6.849 ( 4.270 1.556 6.379) 7.832 6.877 ( 1.875 -1.198 3.037) 3.765 7.070 ( 1.277 5.524 4.670) 7.345 7.212 ( 1.728 -10.193 10.413) 14.673 7.867 ( -0.717 0.368 3.910) 3.992 7.877 ( -1.240 -0.711 4.857) 5.063 8.586 ( -2.869 15.355 1.853) 15.730 8.834 ( -2.341 -10.247 1.005) 10.558 9.072 ( -0.345 7.143 -2.966) 7.742 9.232 ( -2.285 -8.278 -3.356) 9.220 ======================= Grid point 159 (60/147) ======================= q-point: ( 0.25 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 4.965 8.351 10.308) 14.165 1.268 ( 2.733 -8.622 8.293) 12.271 1.603 ( 9.861 2.987 13.746) 17.179 1.680 ( 6.823 -4.732 13.818) 16.121 1.943 ( -2.424 5.343 -0.310) 5.875 2.002 ( -1.573 -1.330 4.857) 5.276 2.284 ( -0.074 5.892 11.013) 12.490 2.415 ( 0.254 -6.939 6.248) 9.341 2.731 ( 7.807 11.435 4.279) 14.492 2.937 ( 5.840 -8.098 2.137) 10.210 4.564 ( 4.266 -1.374 -1.733) 4.805 4.597 ( 3.898 -5.015 -1.837) 6.612 6.037 ( 9.118 5.596 -10.168) 14.760 6.157 ( 6.767 -7.073 -7.395) 12.268 6.864 ( -1.649 0.921 -2.349) 3.014 6.876 ( -2.266 -0.460 -2.360) 3.304 7.156 ( 6.850 4.466 11.658) 14.240 7.266 ( 3.761 -7.347 11.804) 14.403 7.840 ( -2.350 0.141 6.069) 6.510 7.845 ( -2.040 -0.326 5.843) 6.198 8.553 ( -0.591 14.914 1.228) 14.976 8.787 ( -2.453 -8.703 0.495) 9.056 9.052 ( -1.498 4.183 -3.124) 5.432 9.175 ( -3.442 -7.070 -3.389) 8.563 ======================= Grid point 160 (61/147) ======================= q-point: ( 0.33 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 6.872 4.888 6.004) 10.352 1.327 ( 3.650 -6.599 6.466) 9.934 1.762 ( 3.963 3.637 9.246) 10.697 1.815 ( 5.287 -2.233 9.232) 10.871 1.889 ( -1.135 4.132 2.779) 5.108 1.957 ( -1.510 -2.783 6.202) 6.963 2.279 ( -0.128 5.092 9.846) 11.085 2.414 ( -0.508 -8.021 6.025) 10.045 2.880 ( 7.227 10.926 0.754) 13.122 3.033 ( 3.911 -4.028 -1.215) 5.744 4.643 ( 3.741 -2.085 -3.578) 5.580 4.669 ( 3.327 -4.922 -3.437) 6.864 6.230 ( 10.234 3.066 -13.915) 17.543 6.303 ( 7.849 -4.679 -11.073) 14.357 6.809 ( -3.737 0.426 -4.378) 5.772 6.812 ( -3.917 0.101 -4.431) 5.915 7.299 ( 7.555 1.999 10.373) 12.987 7.353 ( 5.039 -3.674 10.275) 12.019 7.778 ( -4.023 0.768 7.186) 8.271 7.792 ( -3.553 -0.610 6.779) 7.678 8.559 ( 1.062 12.256 0.982) 12.341 8.738 ( -2.647 -5.047 0.407) 5.714 9.023 ( -1.281 0.956 -3.718) 4.047 9.107 ( -3.417 -6.022 -3.770) 7.884 ======================= Grid point 161 (62/147) ======================= q-point: ( 0.42 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 7.977 1.878 2.946) 8.708 1.418 ( 5.667 -3.874 3.562) 7.734 1.706 ( -6.135 4.339 1.118) 7.597 1.771 ( -6.888 -2.660 1.073) 7.462 1.965 ( 5.364 3.435 9.842) 11.724 2.013 ( 4.111 -0.560 9.657) 10.510 2.289 ( 1.416 2.259 9.059) 9.443 2.390 ( -2.069 -6.968 6.920) 10.036 3.002 ( 5.172 8.116 -1.995) 9.828 3.083 ( 1.147 0.166 -3.136) 3.343 4.703 ( 2.316 -3.021 -4.136) 5.621 4.718 ( 1.649 -4.690 -4.133) 6.465 6.412 ( 7.999 0.843 -13.774) 15.951 6.444 ( 6.183 -2.596 -11.675) 13.464 6.731 ( -3.941 0.300 -7.167) 8.185 6.734 ( -3.964 0.037 -6.867) 7.929 7.440 ( 6.805 0.810 8.700) 11.075 7.461 ( 6.107 -1.400 8.760) 10.770 7.686 ( -5.361 1.225 7.452) 9.261 7.706 ( -5.192 -0.855 7.361) 9.048 8.590 ( 2.016 8.505 1.003) 8.798 8.685 ( -2.717 -0.401 0.679) 2.829 9.007 ( -0.264 -1.871 -4.340) 4.733 9.049 ( -2.444 -4.999 -4.280) 7.020 ======================= Grid point 162 (63/147) ======================= q-point: (-0.50 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -2.723 -0.059 2.586) 3.756 1.487 ( 2.723 -0.059 2.586) 3.756 1.641 ( -3.513 -0.505 -0.255) 3.558 1.641 ( 3.513 -0.505 -0.255) 3.558 2.038 ( -1.646 3.159 9.289) 9.948 2.038 ( 1.646 3.159 9.289) 9.948 2.337 ( -3.088 -3.585 8.162) 9.434 2.337 ( 3.088 -3.585 8.162) 9.434 3.074 ( -2.143 4.335 -3.373) 5.896 3.074 ( 2.143 4.335 -3.373) 5.896 4.730 ( -0.439 -4.020 -4.243) 5.862 4.730 ( 0.439 -4.020 -4.243) 5.862 6.510 ( -0.805 -1.052 -11.110) 11.189 6.510 ( 0.805 -1.052 -11.110) 11.189 6.682 ( -0.129 0.282 -9.534) 9.539 6.682 ( 0.129 0.282 -9.534) 9.539 7.554 ( -2.522 0.195 8.064) 8.452 7.554 ( 2.522 0.195 8.064) 8.452 7.604 ( -2.711 -0.079 7.565) 8.036 7.604 ( 2.711 -0.079 7.565) 8.036 8.634 ( -2.519 4.223 0.948) 5.008 8.634 ( 2.519 4.223 0.948) 5.008 9.015 ( -1.069 -3.764 -4.553) 6.004 9.015 ( 1.069 -3.764 -4.553) 6.004 ======================= Grid point 195 (64/147) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.000 0.000 18.423) 18.423 1.130 ( 0.000 0.000 17.224) 17.224 1.604 ( 0.000 0.000 -0.256) 0.256 1.872 ( 0.000 0.000 8.368) 8.368 1.971 ( 0.000 0.000 -4.096) 4.096 1.983 ( 0.000 0.000 -2.748) 2.748 1.989 ( 0.000 0.000 28.121) 28.121 2.668 ( 0.000 0.000 17.953) 17.953 2.853 ( 0.000 0.000 12.469) 12.469 3.001 ( 0.000 0.000 5.619) 5.619 4.694 ( 0.000 0.000 8.576) 8.576 4.717 ( 0.000 0.000 5.218) 5.218 5.832 ( 0.000 0.000 12.468) 12.468 6.456 ( 0.000 0.000 5.679) 5.679 6.790 ( 0.000 0.000 -1.974) 1.974 6.915 ( 0.000 0.000 17.171) 17.171 6.939 ( 0.000 0.000 -4.279) 4.279 7.821 ( 0.000 0.000 -0.931) 0.931 7.984 ( 0.000 0.000 1.466) 1.466 8.053 ( 0.000 0.000 7.076) 7.076 8.271 ( 0.000 0.000 -7.157) 7.157 8.543 ( 0.000 0.000 1.736) 1.736 9.244 ( 0.000 0.000 2.907) 2.907 9.408 ( 0.000 0.000 -2.854) 2.854 ======================= Grid point 196 (65/147) ======================= q-point: ( 0.08 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 1.973 0.000 16.991) 17.105 1.182 ( 5.058 0.000 15.195) 16.014 1.607 ( 0.400 0.000 0.659) 0.771 1.862 ( -5.152 0.000 -2.832) 5.879 1.881 ( 1.667 0.000 11.317) 11.439 2.099 ( 5.843 0.000 -2.720) 6.445 2.100 ( 9.910 0.000 22.048) 24.173 2.656 ( -1.062 0.000 17.334) 17.367 2.838 ( -1.580 0.000 11.155) 11.267 3.017 ( 1.222 0.000 4.463) 4.627 4.682 ( -1.143 0.000 7.804) 7.887 4.724 ( 0.708 0.000 4.379) 4.435 5.782 ( -4.404 0.000 10.380) 11.276 6.404 ( -4.261 0.000 5.185) 6.711 6.790 ( -0.122 0.000 -2.168) 2.172 6.929 ( -1.012 0.000 -3.802) 3.935 6.992 ( 6.897 0.000 15.506) 16.971 7.847 ( 2.499 0.000 -0.877) 2.648 7.975 ( -0.692 0.000 1.702) 1.838 8.060 ( 0.572 0.000 7.117) 7.140 8.099 ( -12.478 0.000 0.127) 12.478 8.644 ( 5.819 0.000 -3.430) 6.755 9.237 ( -0.752 0.000 2.694) 2.797 9.389 ( -1.913 0.000 -2.778) 3.373 ======================= Grid point 197 (66/147) ======================= q-point: ( 0.17 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 237 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 2.988 0.000 14.182) 14.493 1.308 ( 7.318 0.000 10.436) 12.746 1.621 ( 1.043 0.000 1.909) 2.175 1.788 ( -2.176 0.000 -0.979) 2.386 1.940 ( 4.012 0.000 10.174) 10.936 2.188 ( 2.873 0.000 -0.439) 2.906 2.315 ( 11.033 0.000 17.894) 21.022 2.636 ( -0.805 0.000 14.935) 14.956 2.794 ( -2.766 0.000 7.664) 8.148 3.025 ( -0.786 0.000 2.684) 2.797 4.659 ( -0.875 0.000 5.328) 5.399 4.744 ( 1.367 0.000 2.218) 2.605 5.705 ( -2.319 0.000 3.686) 4.355 6.328 ( -3.011 0.000 2.353) 3.821 6.782 ( -0.832 0.000 -2.717) 2.842 6.896 ( -2.550 0.000 -3.027) 3.958 7.145 ( 8.344 0.000 12.784) 15.266 7.876 ( -9.909 0.000 5.093) 11.141 7.899 ( 1.873 0.000 0.856) 2.060 7.971 ( 0.589 0.000 1.129) 1.273 8.072 ( 0.918 0.000 6.878) 6.939 8.712 ( 1.240 0.000 -5.092) 5.241 9.213 ( -1.758 0.000 2.030) 2.686 9.336 ( -3.437 0.000 -2.639) 4.333 ======================= Grid point 198 (67/147) ======================= q-point: ( 0.25 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 5.091 0.000 10.711) 11.859 1.439 ( 5.667 0.000 5.391) 7.822 1.645 ( 1.147 0.000 2.645) 2.883 1.788 ( 2.197 0.000 1.417) 2.614 2.014 ( 3.104 0.000 9.037) 9.555 2.200 ( -1.630 0.000 2.839) 3.274 2.495 ( 7.147 0.000 14.490) 16.157 2.614 ( -2.453 0.000 11.011) 11.281 2.756 ( -0.118 0.000 3.231) 3.233 2.988 ( -2.749 0.000 1.927) 3.357 4.659 ( 0.955 0.000 1.528) 1.801 4.775 ( 1.714 0.000 -0.452) 1.773 5.724 ( 4.565 0.000 -5.463) 7.119 6.296 ( -0.189 0.000 -1.835) 1.844 6.752 ( -2.409 0.000 -3.646) 4.370 6.827 ( -4.552 0.000 -3.145) 5.533 7.304 ( 7.907 0.000 10.222) 12.923 7.723 ( -5.839 0.000 6.855) 9.005 7.905 ( -0.779 0.000 3.649) 3.732 7.972 ( -1.624 0.000 3.912) 4.235 8.123 ( 4.653 0.000 2.432) 5.250 8.702 ( -2.046 0.000 -4.899) 5.309 9.172 ( -2.301 0.000 1.016) 2.516 9.261 ( -4.197 0.000 -2.574) 4.923 ======================= Grid point 199 (68/147) ======================= q-point: ( 0.33 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 237 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 8.052 0.000 6.937) 10.628 1.518 ( 2.653 0.000 3.160) 4.126 1.654 ( -0.435 0.000 3.939) 3.963 1.853 ( 3.176 0.000 2.237) 3.885 2.056 ( 1.414 0.000 8.642) 8.757 2.142 ( -3.445 0.000 4.142) 5.387 2.539 ( -4.314 0.000 6.340) 7.668 2.585 ( 2.076 0.000 7.474) 7.757 2.793 ( 3.094 0.000 1.377) 3.386 2.937 ( -2.126 0.000 3.195) 3.838 4.697 ( 2.822 0.000 -2.091) 3.512 4.806 ( 1.361 0.000 -2.842) 3.151 5.875 ( 10.418 0.000 -12.216) 16.055 6.320 ( 2.520 0.000 -5.568) 6.111 6.679 ( -5.477 0.000 -5.470) 7.741 6.724 ( -5.678 0.000 -4.415) 7.193 7.448 ( 6.892 0.000 8.072) 10.614 7.651 ( -1.545 0.000 7.309) 7.471 7.877 ( -2.141 0.000 5.228) 5.650 7.907 ( -4.636 0.000 5.605) 7.274 8.232 ( 6.066 0.000 -0.108) 6.067 8.643 ( -3.868 0.000 -4.190) 5.702 9.129 ( -2.044 0.000 -0.068) 2.046 9.181 ( -3.839 0.000 -2.546) 4.607 ======================= Grid point 200 (69/147) ======================= q-point: ( 0.42 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 9.959 0.000 4.041) 10.747 1.555 ( 1.429 0.000 3.946) 4.197 1.630 ( -1.561 0.000 4.996) 5.235 1.840 ( -5.362 0.000 1.585) 5.592 2.080 ( 1.285 0.000 7.338) 7.449 2.107 ( -0.033 0.000 4.770) 4.770 2.482 ( -0.792 0.000 2.177) 2.316 2.578 ( -2.478 0.000 0.589) 2.547 2.852 ( 2.739 0.000 1.395) 3.074 2.910 ( -0.796 0.000 4.464) 4.535 4.757 ( 3.101 0.000 -4.285) 5.289 4.821 ( 0.101 0.000 -4.431) 4.432 6.102 ( 12.411 0.000 -14.220) 18.874 6.391 ( 4.758 0.000 -7.595) 8.962 6.535 ( -9.086 0.000 -8.717) 12.591 6.615 ( -5.855 0.000 -6.088) 8.447 7.566 ( 5.364 0.000 6.420) 8.366 7.667 ( 3.176 0.000 7.477) 8.123 7.792 ( -6.218 0.000 6.538) 9.023 7.830 ( -3.541 0.000 5.444) 6.495 8.348 ( 5.875 0.000 -1.161) 5.989 8.557 ( -4.827 0.000 -3.232) 5.809 9.098 ( -1.077 0.000 -1.034) 1.493 9.119 ( -2.379 0.000 -2.339) 3.337 ======================= Grid point 201 (70/147) ======================= q-point: (-0.50 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -0.741 0.000 5.626) 5.675 1.579 ( 0.741 0.000 5.626) 5.675 1.683 ( -9.195 0.000 1.354) 9.295 1.683 ( 9.195 0.000 1.354) 9.295 2.103 ( -0.850 0.000 6.113) 6.172 2.103 ( 0.850 0.000 6.113) 6.172 2.513 ( -3.347 0.000 -0.757) 3.432 2.513 ( 3.347 0.000 -0.757) 3.432 2.892 ( -1.358 0.000 2.953) 3.250 2.892 ( 1.358 0.000 2.953) 3.250 4.806 ( -1.736 0.000 -4.967) 5.262 4.806 ( 1.736 0.000 -4.967) 5.262 6.336 ( -11.344 0.000 -12.294) 16.728 6.336 ( 11.344 0.000 -12.294) 16.728 6.498 ( -6.014 0.000 -7.549) 9.652 6.498 ( 6.014 0.000 -7.549) 9.652 7.671 ( -5.861 0.000 6.126) 8.478 7.671 ( 5.861 0.000 6.126) 8.478 7.750 ( -4.614 0.000 6.685) 8.123 7.750 ( 4.614 0.000 6.685) 8.123 8.458 ( -5.406 0.000 -2.164) 5.823 8.458 ( 5.406 0.000 -2.164) 5.823 9.091 ( -0.494 0.000 -1.819) 1.885 9.091 ( 0.494 0.000 -1.819) 1.885 ======================= Grid point 208 (71/147) ======================= q-point: ( 0.00 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 4.744 16.342) 17.017 1.201 ( 0.000 6.492 14.500) 15.887 1.550 ( 0.000 -5.314 2.738) 5.978 1.786 ( 0.000 -7.173 6.439) 9.639 1.996 ( 0.000 1.273 -1.491) 1.961 2.013 ( 0.000 2.464 -1.117) 2.706 2.103 ( 0.000 12.016 23.786) 26.649 2.693 ( 0.000 2.802 18.179) 18.394 2.778 ( 0.000 -6.963 10.303) 12.435 2.999 ( 0.000 -1.412 10.117) 10.215 4.639 ( 0.000 -5.041 7.972) 9.432 4.654 ( 0.000 -5.762 5.018) 7.641 5.882 ( 0.000 5.056 11.728) 12.771 6.356 ( 0.000 -8.922 6.780) 11.206 6.825 ( 0.000 2.568 -1.928) 3.211 6.890 ( 0.000 -1.054 5.591) 5.690 7.001 ( 0.000 5.244 7.108) 8.834 7.717 ( 0.000 -19.047 7.598) 20.506 7.856 ( 0.000 0.309 -0.696) 0.762 7.966 ( 0.000 -1.771 1.024) 2.045 8.574 ( 0.000 18.891 -5.398) 19.647 8.607 ( 0.000 6.445 2.289) 6.840 9.177 ( 0.000 -6.650 3.667) 7.594 9.354 ( 0.000 -5.708 -2.915) 6.409 ======================= Grid point 209 (72/147) ======================= q-point: ( 0.08 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 2.397 5.000 15.808) 16.753 1.254 ( 5.085 6.416 12.330) 14.801 1.559 ( 1.063 -4.689 3.508) 5.952 1.814 ( 2.493 -5.148 5.025) 7.614 1.918 ( -3.879 3.681 1.259) 5.494 2.070 ( 3.764 -0.512 4.123) 5.606 2.205 ( 8.179 8.955 15.497) 19.678 2.680 ( -1.231 2.341 17.337) 17.538 2.773 ( -0.778 -5.746 10.051) 11.603 3.013 ( 1.188 -1.543 8.219) 8.446 4.629 ( -0.909 -4.839 7.191) 8.715 4.660 ( 0.500 -5.935 4.306) 7.350 5.834 ( -4.219 5.242 9.724) 11.825 6.310 ( -3.878 -8.558 5.852) 11.068 6.820 ( -0.329 2.391 -1.818) 3.022 6.907 ( 0.370 -1.463 -0.520) 1.596 7.046 ( 4.941 4.999 11.899) 13.820 7.699 ( -1.849 -17.807 7.614) 19.454 7.870 ( 1.444 0.978 -0.462) 1.804 7.974 ( 0.698 -1.954 1.722) 2.696 8.425 ( -7.749 17.239 1.400) 18.952 8.721 ( 4.578 7.806 -3.686) 9.772 9.168 ( -0.909 -6.808 3.328) 7.633 9.339 ( -1.517 -5.299 -2.917) 6.236 ======================= Grid point 210 (73/147) ======================= q-point: ( 0.17 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 2.911 5.605 14.324) 15.655 1.374 ( 6.505 4.715 8.082) 11.396 1.598 ( 3.233 -1.249 4.914) 6.013 1.833 ( -1.330 4.192 -1.899) 4.790 1.906 ( 3.326 -3.380 9.509) 10.626 2.141 ( 2.801 -3.894 1.693) 5.087 2.374 ( 8.296 5.617 14.522) 17.642 2.656 ( -0.940 1.497 14.717) 14.823 2.743 ( -2.119 -3.482 8.473) 9.402 3.030 ( 0.310 -0.640 4.854) 4.906 4.612 ( -0.594 -4.339 4.805) 6.501 4.674 ( 1.049 -6.472 2.253) 6.933 5.760 ( -2.314 5.489 3.461) 6.889 6.240 ( -2.766 -8.206 2.478) 9.007 6.809 ( -0.980 2.230 -2.572) 3.542 6.888 ( -2.171 -0.745 -2.650) 3.506 7.173 ( 7.418 3.090 12.254) 14.654 7.654 ( -2.542 -13.364 7.596) 15.581 7.905 ( 1.826 0.618 0.892) 2.124 7.983 ( 0.021 -1.518 3.046) 3.404 8.311 ( -3.645 17.676 2.994) 18.294 8.767 ( 0.338 5.407 -4.450) 7.011 9.142 ( -1.756 -6.897 2.313) 7.483 9.294 ( -3.115 -4.611 -2.887) 6.269 ======================= Grid point 211 (74/147) ======================= q-point: ( 0.25 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 3.751 4.776 12.054) 13.498 1.478 ( 3.992 1.022 5.132) 6.582 1.679 ( 4.032 4.994 3.910) 7.515 1.826 ( 1.367 3.815 0.500) 4.083 1.979 ( 3.455 -3.516 8.857) 10.136 2.160 ( -0.942 -4.223 2.081) 4.801 2.486 ( 2.180 0.016 12.706) 12.892 2.648 ( -0.032 -0.246 10.421) 10.424 2.718 ( 0.628 0.998 6.056) 6.169 3.021 ( -1.077 1.735 2.184) 2.990 4.615 ( 1.023 -4.024 1.108) 4.297 4.700 ( 1.604 -6.928 -0.434) 7.124 5.774 ( 3.979 4.953 -5.015) 8.094 6.214 ( 0.244 -7.632 -2.227) 7.954 6.776 ( -2.671 1.846 -3.595) 4.845 6.825 ( -4.387 -0.264 -3.149) 5.407 7.318 ( 7.397 1.648 10.168) 12.682 7.610 ( -1.658 -8.172 7.468) 11.194 7.925 ( -0.065 0.714 3.342) 3.418 7.968 ( -1.791 -0.797 4.613) 5.012 8.288 ( 1.114 14.888 1.791) 15.037 8.744 ( -2.412 4.209 -4.080) 6.339 9.104 ( -2.084 -6.657 0.909) 7.034 9.222 ( -4.132 -4.260 -2.883) 6.598 ======================= Grid point 212 (75/147) ======================= q-point: ( 0.33 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 6.099 2.106 8.686) 10.820 1.534 ( 2.087 -0.805 4.854) 5.345 1.706 ( -1.152 5.974 1.911) 6.377 1.880 ( 2.013 2.278 1.990) 3.633 2.036 ( 2.628 -1.694 8.344) 8.911 2.125 ( -1.551 -2.045 3.203) 4.105 2.469 ( -2.265 -2.750 8.200) 8.941 2.640 ( -1.179 -1.124 6.485) 6.686 2.775 ( 4.377 3.310 3.945) 6.759 2.997 ( -1.307 3.812 0.598) 4.074 4.651 ( 2.572 -4.224 -2.321) 5.463 4.732 ( 1.534 -6.907 -2.841) 7.625 5.908 ( 9.418 3.386 -11.468) 15.221 6.247 ( 3.053 -6.557 -6.360) 9.632 6.699 ( -5.515 1.402 -5.279) 7.762 6.722 ( -5.810 -0.179 -4.611) 7.419 7.456 ( 6.779 0.897 8.201) 10.678 7.599 ( 0.771 -4.062 7.341) 8.426 7.898 ( -3.068 0.955 5.958) 6.769 7.912 ( -3.470 0.450 5.233) 6.295 8.341 ( 3.908 10.875 0.148) 11.557 8.682 ( -3.784 3.999 -3.383) 6.462 9.066 ( -1.706 -6.189 -0.456) 6.436 9.142 ( -3.959 -4.276 -2.885) 6.503 ======================= Grid point 213 (76/147) ======================= q-point: ( 0.42 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 8.070 -0.777 5.409) 9.746 1.574 ( 2.539 -1.325 4.641) 5.453 1.657 ( -3.462 3.719 3.420) 6.125 1.829 ( -6.717 -1.531 0.776) 6.933 2.086 ( 2.482 1.134 7.076) 7.584 2.130 ( 1.030 2.228 4.835) 5.422 2.451 ( 1.172 -1.703 4.161) 4.646 2.594 ( -3.563 -0.948 3.426) 5.033 2.861 ( 4.142 3.319 1.443) 5.501 2.970 ( -1.601 4.310 -0.041) 4.598 4.705 ( 2.661 -4.916 -4.306) 7.056 4.753 ( 0.433 -6.460 -4.375) 7.814 6.115 ( 11.303 1.364 -13.598) 17.735 6.324 ( 4.287 -5.458 -8.711) 11.138 6.563 ( -7.729 1.709 -8.126) 11.344 6.608 ( -6.155 -0.655 -6.557) 9.017 7.576 ( 5.566 0.931 6.690) 8.753 7.649 ( 4.357 -1.527 7.531) 8.833 7.803 ( -5.902 1.090 6.563) 8.894 7.844 ( -4.139 0.808 6.094) 7.411 8.426 ( 4.632 7.886 -0.837) 9.184 8.603 ( -4.347 4.610 -2.557) 6.833 9.042 ( -0.691 -5.606 -1.543) 5.855 9.077 ( -2.643 -4.546 -2.715) 5.918 ======================= Grid point 214 (77/147) ======================= q-point: (-0.50 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -4.832 -0.622 4.985) 6.971 1.571 ( 4.832 -0.622 4.985) 6.971 1.675 ( -7.539 -0.958 1.603) 7.767 1.675 ( 7.540 -0.958 1.603) 7.767 2.126 ( -1.398 2.626 6.027) 6.721 2.126 ( 1.398 2.626 6.027) 6.721 2.512 ( -4.409 -0.756 2.275) 5.019 2.512 ( 4.409 -0.756 2.275) 5.019 2.929 ( -2.779 3.785 0.083) 4.696 2.929 ( 2.779 3.785 0.083) 4.696 4.745 ( -1.309 -5.755 -4.891) 7.665 4.745 ( 1.309 -5.755 -4.891) 7.665 6.316 ( -7.958 -1.679 -11.721) 14.267 6.316 ( 7.958 -1.679 -11.721) 14.267 6.498 ( -3.783 -0.087 -8.391) 9.204 6.498 ( 3.783 -0.087 -8.391) 9.204 7.684 ( -5.759 1.169 6.484) 8.751 7.684 ( 5.759 1.169 6.484) 8.751 7.751 ( -5.210 -0.011 6.931) 8.671 7.751 ( 5.210 -0.011 6.931) 8.671 8.516 ( -4.597 5.907 -1.682) 7.672 8.516 ( 4.597 5.907 -1.682) 7.672 9.043 ( -0.863 -5.019 -2.282) 5.580 9.043 ( 0.863 -5.019 -2.282) 5.580 ======================= Grid point 221 (78/147) ======================= q-point: ( 0.00 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.000 6.991 11.614) 13.555 1.282 ( 0.000 -1.649 8.192) 8.356 1.493 ( 0.000 3.220 10.341) 10.831 1.632 ( 0.000 -8.916 8.447) 12.281 2.024 ( 0.000 1.452 -0.780) 1.648 2.039 ( 0.000 0.144 -0.461) 0.483 2.378 ( 0.000 15.093 15.595) 21.703 2.616 ( 0.000 -10.413 10.412) 14.725 2.781 ( 0.000 6.676 18.676) 19.833 2.921 ( 0.000 -6.896 16.135) 17.547 4.552 ( 0.000 -3.091 6.277) 6.997 4.555 ( 0.000 -3.505 4.991) 6.099 6.007 ( 0.000 8.060 10.172) 12.978 6.175 ( 0.000 -9.697 8.555) 12.932 6.862 ( 0.000 1.294 -1.142) 1.725 6.877 ( 0.000 -0.527 1.196) 1.307 7.138 ( 0.000 9.834 10.768) 14.583 7.378 ( 0.000 -15.866 11.110) 19.369 7.887 ( 0.000 2.082 -0.588) 2.163 7.927 ( 0.000 -2.167 0.177) 2.174 8.763 ( 0.000 9.445 2.634) 9.805 8.858 ( 0.000 7.030 -3.777) 7.980 9.053 ( 0.000 -1.790 3.107) 3.585 9.201 ( 0.000 -10.339 -2.765) 10.702 ======================= Grid point 222 (79/147) ======================= q-point: ( 0.08 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 2.600 6.779 12.260) 14.249 1.314 ( 2.879 -3.257 7.724) 8.863 1.532 ( 4.156 5.225 10.117) 12.121 1.682 ( 4.607 -8.506 7.777) 12.412 1.991 ( -2.241 3.758 -0.871) 4.461 2.049 ( 0.458 -2.165 0.266) 2.229 2.424 ( 4.087 12.524 13.810) 19.086 2.621 ( 0.136 -8.540 10.770) 13.745 2.781 ( 0.231 6.915 17.063) 18.412 2.931 ( 1.101 -7.281 14.036) 15.851 4.546 ( -0.453 -2.788 5.532) 6.212 4.555 ( 0.032 -3.817 4.465) 5.874 5.963 ( -3.880 8.236 8.387) 12.379 6.133 ( -3.682 -9.681 7.095) 12.555 6.859 ( -0.274 1.621 -1.307) 2.100 6.883 ( 0.139 -1.157 -0.678) 1.348 7.176 ( 3.617 9.132 11.505) 15.127 7.394 ( 1.477 -14.244 10.834) 17.957 7.898 ( 1.045 1.815 -0.054) 2.095 7.935 ( 0.725 -2.106 0.748) 2.350 8.706 ( -4.363 12.925 2.216) 13.821 8.864 ( -0.354 1.295 -2.116) 2.506 9.051 ( -0.239 -0.144 1.743) 1.766 9.196 ( -0.660 -9.631 -2.871) 10.071 ======================= Grid point 223 (80/147) ======================= q-point: ( 0.17 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 3.429 6.943 12.454) 14.665 1.378 ( 3.463 -4.381 8.006) 9.761 1.648 ( 7.386 6.572 8.872) 13.284 1.787 ( 5.756 -7.222 7.555) 11.932 1.951 ( -1.762 5.978 -0.959) 6.306 2.057 ( 0.296 -5.167 -0.205) 5.179 2.499 ( 2.711 6.679 12.150) 14.127 2.608 ( -1.482 -5.261 11.140) 12.409 2.798 ( 1.731 8.412 12.664) 15.302 2.962 ( 1.960 -7.066 9.047) 11.645 4.539 ( -0.117 -2.266 3.484) 4.158 4.558 ( 0.405 -4.436 2.512) 5.114 5.894 ( -2.358 8.460 3.041) 9.294 6.066 ( -2.491 -9.683 2.729) 10.364 6.846 ( -1.239 1.591 -2.353) 3.099 6.871 ( -1.608 -1.109 -2.276) 2.999 7.265 ( 5.217 6.828 11.308) 14.202 7.428 ( 1.958 -10.586 10.006) 14.698 7.922 ( 1.173 1.188 1.454) 2.214 7.950 ( 0.577 -1.769 2.249) 2.919 8.627 ( -3.342 15.346 2.303) 15.874 8.838 ( -2.058 -3.559 -0.577) 4.151 9.036 ( -1.413 1.124 -0.542) 1.885 9.167 ( -2.391 -8.502 -3.160) 9.380 ======================= Grid point 224 (81/147) ======================= q-point: ( 0.25 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 2.544 7.153 11.784) 14.018 1.438 ( 2.551 -4.657 8.458) 9.986 1.796 ( 6.730 5.868 5.918) 10.712 1.890 ( 3.801 -3.687 4.976) 7.267 1.930 ( 0.684 5.178 1.971) 5.583 2.053 ( -0.753 -6.739 0.247) 6.785 2.512 ( -1.267 2.625 11.201) 11.574 2.577 ( -1.289 -4.284 9.907) 10.871 2.848 ( 3.147 9.493 7.177) 12.310 2.997 ( 1.516 -5.015 4.105) 6.656 4.548 ( 1.082 -1.964 0.237) 2.254 4.574 ( 1.281 -4.965 -0.302) 5.136 5.895 ( 2.683 7.718 -4.073) 9.130 6.053 ( 1.312 -8.960 -3.063) 9.560 6.803 ( -3.300 1.060 -3.516) 4.938 6.817 ( -3.926 -0.526 -3.277) 5.141 7.370 ( 5.620 4.050 9.804) 12.004 7.470 ( 2.475 -6.577 8.845) 11.297 7.935 ( -0.080 0.562 3.546) 3.592 7.949 ( -0.837 -0.989 4.123) 4.322 8.584 ( -1.149 15.225 1.895) 15.386 8.793 ( -2.429 -3.835 0.086) 4.541 8.997 ( -2.448 0.037 -2.224) 3.307 9.106 ( -3.789 -7.672 -3.556) 9.266 ======================= Grid point 225 (82/147) ======================= q-point: ( 0.33 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 3.205 5.641 9.732) 11.696 1.478 ( 1.804 -4.752 8.164) 9.617 1.823 ( -3.535 5.479 -0.562) 6.545 1.895 ( -3.014 -1.703 0.346) 3.479 2.023 ( 6.208 1.140 7.590) 9.871 2.070 ( 3.996 -3.294 4.605) 6.930 2.473 ( -2.044 2.995 9.125) 9.819 2.558 ( -1.029 -5.418 8.105) 9.803 2.910 ( 3.072 8.289 2.106) 9.087 3.019 ( 0.683 -2.346 0.073) 2.445 4.579 ( 2.044 -2.171 -2.697) 4.021 4.605 ( 1.745 -5.050 -2.831) 6.046 5.994 ( 7.169 5.630 -9.789) 13.376 6.114 ( 4.787 -7.115 -7.947) 11.691 6.716 ( -5.810 0.393 -5.168) 7.786 6.719 ( -5.993 -0.125 -4.955) 7.777 7.482 ( 5.914 1.910 8.289) 10.360 7.529 ( 3.787 -3.188 7.906) 9.328 7.908 ( -2.977 0.406 5.785) 6.519 7.915 ( -2.506 -0.211 5.414) 5.969 8.581 ( 0.761 13.127 1.204) 13.204 8.746 ( -2.481 -0.968 0.322) 2.683 8.951 ( -2.134 -2.468 -3.401) 4.714 9.029 ( -3.890 -7.105 -3.964) 9.018 ======================= Grid point 226 (83/147) ======================= q-point: ( 0.42 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 5.467 2.728 6.488) 8.912 1.522 ( 3.030 -3.608 6.416) 7.961 1.724 ( -5.909 3.150 0.879) 6.753 1.782 ( -7.485 -3.103 -0.014) 8.103 2.129 ( 4.495 2.981 6.587) 8.514 2.163 ( 3.863 0.204 5.350) 6.602 2.451 ( 0.094 2.264 6.961) 7.320 2.528 ( -2.120 -4.998 6.625) 8.565 2.965 ( 2.528 5.866 -1.786) 6.632 3.023 ( -0.326 0.271 -2.669) 2.703 4.619 ( 1.764 -2.885 -4.285) 5.459 4.634 ( 1.054 -4.622 -4.283) 6.389 6.154 ( 8.797 2.891 -12.101) 15.237 6.225 ( 6.118 -4.697 -10.352) 12.910 6.583 ( -7.233 0.622 -7.743) 10.614 6.594 ( -6.771 -0.675 -7.334) 10.004 7.597 ( 5.853 1.220 7.280) 9.420 7.621 ( 5.632 -1.400 7.643) 9.597 7.827 ( -5.182 1.307 6.647) 8.529 7.846 ( -4.614 -0.590 6.604) 8.078 8.608 ( 1.891 10.108 0.691) 10.307 8.697 ( -2.495 3.103 0.393) 4.000 8.922 ( -0.726 -4.914 -4.069) 6.421 8.963 ( -2.790 -6.699 -4.222) 8.396 ======================= Grid point 227 (84/147) ======================= q-point: (-0.50 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -2.931 -0.187 4.611) 5.467 1.563 ( 2.932 -0.187 4.611) 5.467 1.653 ( -2.991 -0.998 1.559) 3.517 1.653 ( 2.991 -0.998 1.559) 3.517 2.188 ( -1.257 2.915 5.757) 6.575 2.188 ( 1.257 2.915 5.757) 6.575 2.480 ( -2.522 -1.941 5.962) 6.758 2.480 ( 2.522 -1.941 5.962) 6.758 3.005 ( -1.538 3.008 -3.440) 4.821 3.005 ( 1.538 3.008 -3.440) 4.821 4.641 ( -0.432 -3.819 -4.724) 6.089 4.641 ( 0.432 -3.819 -4.724) 6.089 6.290 ( -2.560 -0.878 -11.159) 11.482 6.290 ( 2.560 -0.878 -11.159) 11.482 6.494 ( -1.035 -0.194 -9.328) 9.387 6.494 ( 1.035 -0.194 -9.328) 9.387 7.706 ( -3.810 0.911 7.396) 8.369 7.706 ( 3.810 0.911 7.396) 8.369 7.747 ( -3.779 -0.334 6.832) 7.815 7.747 ( 3.779 -0.334 6.832) 7.815 8.650 ( -2.370 6.824 0.457) 7.238 8.650 ( 2.370 6.824 0.457) 7.238 8.925 ( -1.081 -6.200 -4.277) 7.609 8.925 ( 1.081 -6.200 -4.277) 7.609 ======================= Grid point 260 (85/147) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.000 0.000 14.864) 14.864 1.438 ( 0.000 0.000 14.250) 14.250 1.603 ( 0.000 0.000 0.338) 0.338 1.880 ( 0.000 0.000 -4.891) 4.891 1.928 ( 0.000 0.000 -2.798) 2.798 1.970 ( 0.000 0.000 2.151) 2.151 2.480 ( 0.000 0.000 22.201) 22.201 2.987 ( 0.000 0.000 14.233) 14.233 3.070 ( 0.000 0.000 9.135) 9.135 3.133 ( 0.000 0.000 7.286) 7.286 4.822 ( 0.000 0.000 5.341) 5.341 4.846 ( 0.000 0.000 6.700) 6.700 6.100 ( 0.000 0.000 14.536) 14.536 6.587 ( 0.000 0.000 7.626) 7.626 6.763 ( 0.000 0.000 -0.868) 0.868 6.886 ( 0.000 0.000 -1.133) 1.133 7.200 ( 0.000 0.000 12.034) 12.034 7.788 ( 0.000 0.000 -2.556) 2.556 7.986 ( 0.000 0.000 -1.103) 1.103 8.130 ( 0.000 0.000 -7.078) 7.078 8.197 ( 0.000 0.000 7.548) 7.548 8.575 ( 0.000 0.000 1.348) 1.348 9.287 ( 0.000 0.000 1.481) 1.481 9.357 ( 0.000 0.000 -2.275) 2.275 ======================= Grid point 261 (86/147) ======================= q-point: ( 0.08 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.387 0.000 14.307) 14.312 1.456 ( 1.722 0.000 12.650) 12.767 1.619 ( 1.400 0.000 0.638) 1.538 1.810 ( -3.256 0.000 -2.223) 3.943 1.990 ( 1.931 0.000 1.693) 2.568 2.019 ( 5.495 0.000 -4.993) 7.424 2.521 ( 4.013 0.000 19.572) 19.979 2.961 ( -2.668 0.000 12.823) 13.098 3.046 ( -2.463 0.000 9.855) 10.158 3.130 ( -0.448 0.000 6.598) 6.613 4.814 ( -0.797 0.000 4.678) 4.745 4.825 ( -2.087 0.000 6.520) 6.846 6.024 ( -7.297 0.000 13.874) 15.676 6.525 ( -5.650 0.000 7.197) 9.150 6.756 ( -0.742 0.000 -1.338) 1.530 6.878 ( -0.858 0.000 -1.398) 1.641 7.252 ( 4.706 0.000 11.032) 11.993 7.814 ( 2.546 0.000 -2.638) 3.666 7.984 ( -0.220 0.000 -0.780) 0.811 8.056 ( -6.471 0.000 -3.886) 7.548 8.202 ( 0.464 0.000 7.348) 7.362 8.606 ( 2.196 0.000 -0.948) 2.392 9.277 ( -1.133 0.000 1.311) 1.733 9.339 ( -1.800 0.000 -2.226) 2.863 ======================= Grid point 262 (87/147) ======================= q-point: ( 0.17 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 237 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 1.016 0.000 13.481) 13.519 1.496 ( 2.164 0.000 8.372) 8.647 1.651 ( 1.810 0.000 1.131) 2.135 1.783 ( 0.640 0.000 0.829) 1.048 2.040 ( 3.071 0.000 0.763) 3.165 2.110 ( 3.505 0.000 -6.441) 7.333 2.618 ( 5.176 0.000 12.808) 13.815 2.887 ( -4.851 0.000 9.119) 10.329 2.981 ( -3.906 0.000 11.331) 11.986 3.110 ( -1.723 0.000 5.801) 6.052 4.771 ( -3.219 0.000 5.675) 6.525 4.795 ( -1.087 0.000 2.885) 3.083 5.854 ( -9.049 0.000 10.961) 14.214 6.401 ( -6.497 0.000 5.128) 8.277 6.731 ( -1.951 0.000 -2.608) 3.257 6.845 ( -2.852 0.000 -2.243) 3.628 7.359 ( 5.964 0.000 9.150) 10.922 7.881 ( 4.141 0.000 -2.478) 4.826 7.923 ( -6.556 0.000 0.290) 6.562 7.980 ( -0.181 0.000 -0.339) 0.384 8.209 ( 0.127 0.000 6.893) 6.894 8.632 ( 0.272 0.000 -3.176) 3.188 9.242 ( -2.401 0.000 0.939) 2.578 9.289 ( -3.264 0.000 -2.061) 3.860 ======================= Grid point 263 (88/147) ======================= q-point: ( 0.25 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 2.118 0.000 11.948) 12.134 1.538 ( 2.172 0.000 4.546) 5.039 1.688 ( 1.900 0.000 1.774) 2.599 1.830 ( 3.709 0.000 2.865) 4.686 2.101 ( 3.014 0.000 0.086) 3.015 2.144 ( -0.144 0.000 -7.097) 7.099 2.684 ( 0.804 0.000 5.227) 5.288 2.775 ( -6.545 0.000 5.760) 8.719 2.911 ( -2.882 0.000 10.576) 10.962 3.071 ( -1.864 0.000 6.344) 6.612 4.712 ( -2.553 0.000 3.606) 4.418 4.775 ( -0.914 0.000 0.484) 1.034 5.720 ( -3.838 0.000 4.831) 6.170 6.293 ( -4.304 0.000 1.590) 4.589 6.674 ( -4.129 0.000 -4.528) 6.128 6.762 ( -5.638 0.000 -3.533) 6.653 7.474 ( 5.859 0.000 7.368) 9.413 7.817 ( -4.203 0.000 3.082) 5.212 7.954 ( 2.058 0.000 0.881) 2.239 7.981 ( 0.832 0.000 -1.973) 2.141 8.208 ( 0.057 0.000 5.445) 5.445 8.615 ( -1.953 0.000 -3.925) 4.384 9.188 ( -3.006 0.000 0.570) 3.059 9.218 ( -3.944 0.000 -1.700) 4.295 ======================= Grid point 264 (89/147) ======================= q-point: ( 0.33 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 237 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 4.243 0.000 8.816) 9.783 1.583 ( 2.571 0.000 3.567) 4.397 1.718 ( 0.982 0.000 2.848) 3.013 1.896 ( 1.750 0.000 1.740) 2.468 2.116 ( -1.535 0.000 -5.577) 5.784 2.148 ( 1.671 0.000 0.545) 1.757 2.642 ( -6.905 0.000 4.409) 8.193 2.645 ( -4.170 0.000 0.163) 4.173 2.881 ( -0.151 0.000 6.340) 6.341 3.041 ( -1.544 0.000 5.990) 6.186 4.682 ( -0.496 0.000 0.487) 0.695 4.759 ( -0.760 0.000 -1.864) 2.013 5.726 ( 4.509 0.000 -2.669) 5.240 6.243 ( -0.745 0.000 -2.127) 2.254 6.559 ( -8.084 0.000 -6.986) 10.684 6.635 ( -7.125 0.000 -4.838) 8.612 7.582 ( 5.174 0.000 5.833) 7.797 7.768 ( -0.571 0.000 4.930) 4.963 7.947 ( -1.732 0.000 1.274) 2.150 7.988 ( -1.602 0.000 2.746) 3.179 8.235 ( 3.073 0.000 0.781) 3.171 8.562 ( -3.359 0.000 -3.952) 5.186 9.132 ( -2.649 0.000 0.315) 2.667 9.144 ( -3.438 0.000 -1.101) 3.611 ======================= Grid point 265 (90/147) ======================= q-point: ( 0.42 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 6.656 0.000 4.417) 7.988 1.636 ( 2.751 0.000 4.197) 5.018 1.720 ( -0.831 0.000 4.428) 4.506 1.848 ( -6.254 0.000 -1.053) 6.342 2.132 ( 2.610 0.000 -1.521) 3.021 2.168 ( 0.602 0.000 1.256) 1.393 2.527 ( -4.378 0.000 2.578) 5.081 2.554 ( -4.490 0.000 -1.742) 4.816 2.900 ( 1.923 0.000 2.799) 3.395 3.002 ( -2.547 0.000 3.810) 4.583 4.691 ( 1.193 0.000 -2.410) 2.689 4.743 ( -1.011 0.000 -3.501) 3.644 5.880 ( 10.813 0.000 -8.049) 13.480 6.266 ( 3.178 0.000 -4.954) 5.886 6.362 ( -11.813 0.000 -8.952) 14.822 6.494 ( -7.300 0.000 -6.159) 9.551 7.675 ( 4.599 0.000 4.782) 6.635 7.796 ( 3.088 0.000 5.742) 6.519 7.882 ( -5.097 0.000 2.118) 5.519 7.935 ( -3.172 0.000 5.646) 6.476 8.315 ( 4.684 0.000 -2.235) 5.190 8.489 ( -4.097 0.000 -3.671) 5.501 9.090 ( -1.593 0.000 0.159) 1.601 9.092 ( -1.881 0.000 -0.460) 1.936 ======================= Grid point 266 (91/147) ======================= q-point: (-0.50 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -0.440 0.000 2.300) 2.342 1.683 ( 0.440 0.000 2.300) 2.342 1.704 ( -6.177 0.000 3.230) 6.971 1.704 ( 6.177 0.000 3.230) 6.971 2.170 ( -0.760 0.000 0.566) 0.947 2.170 ( 0.760 0.000 0.566) 0.947 2.493 ( -1.127 0.000 -0.483) 1.226 2.493 ( 1.127 0.000 -0.483) 1.226 2.948 ( -2.828 0.000 2.102) 3.524 2.948 ( 2.828 0.000 2.102) 3.524 4.719 ( -1.469 0.000 -3.825) 4.097 4.719 ( 1.469 0.000 -3.825) 4.097 6.117 ( -13.003 0.000 -9.812) 16.289 6.117 ( 13.003 0.000 -9.812) 16.289 6.360 ( -6.226 0.000 -6.358) 8.898 6.360 ( 6.226 0.000 -6.358) 8.898 7.773 ( -5.593 0.000 4.065) 6.914 7.773 ( 5.593 0.000 4.065) 6.914 7.867 ( -3.816 0.000 5.505) 6.698 7.867 ( 3.816 0.000 5.505) 6.698 8.405 ( -4.552 0.000 -3.195) 5.562 8.405 ( 4.552 0.000 -3.195) 5.562 9.074 ( -0.009 0.000 -0.040) 0.041 9.074 ( 0.009 0.000 -0.040) 0.041 ======================= Grid point 273 (92/147) ======================= q-point: ( 0.00 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 1.547 13.588) 13.675 1.451 ( 0.000 0.455 10.386) 10.396 1.622 ( 0.000 2.300 5.272) 5.751 1.836 ( 0.000 -3.535 -0.485) 3.568 1.941 ( 0.000 1.478 -3.132) 3.463 1.999 ( 0.000 1.778 -0.343) 1.810 2.542 ( 0.000 6.228 19.920) 20.871 2.967 ( 0.000 -7.169 8.679) 11.257 3.018 ( 0.000 3.435 14.649) 15.046 3.201 ( 0.000 3.144 9.572) 10.075 4.754 ( 0.000 -6.289 5.004) 8.037 4.780 ( 0.000 -6.255 6.166) 8.784 6.138 ( 0.000 3.862 14.044) 14.565 6.510 ( 0.000 -6.846 8.807) 11.155 6.795 ( 0.000 2.432 -0.988) 2.625 6.878 ( 0.000 -0.713 -0.950) 1.188 7.238 ( 0.000 4.039 11.288) 11.989 7.798 ( 0.000 -2.443 -0.742) 2.553 7.845 ( 0.000 -12.082 0.916) 12.117 7.959 ( 0.000 -2.554 -1.556) 2.990 8.506 ( 0.000 17.716 -1.295) 17.763 8.648 ( 0.000 7.120 1.719) 7.325 9.232 ( 0.000 -5.562 1.979) 5.903 9.304 ( 0.000 -5.614 -2.181) 6.022 ======================= Grid point 274 (93/147) ======================= q-point: ( 0.08 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 1.144 2.356 12.768) 13.034 1.469 ( 1.743 0.424 9.000) 9.177 1.646 ( 2.289 2.929 5.653) 6.766 1.816 ( -1.471 0.285 -1.814) 2.352 1.960 ( 2.013 -1.618 0.740) 2.687 2.034 ( 2.765 0.304 -3.324) 4.334 2.572 ( 2.965 5.307 17.600) 18.620 2.956 ( -1.286 -6.546 8.957) 11.168 2.993 ( -2.549 3.538 13.441) 14.130 3.188 ( -1.268 2.876 9.008) 9.541 4.745 ( -0.940 -6.342 4.497) 7.831 4.762 ( -1.738 -5.994 5.881) 8.575 6.064 ( -7.098 4.042 13.310) 15.616 6.448 ( -5.720 -6.964 8.174) 12.167 6.787 ( -0.857 2.418 -1.383) 2.915 6.873 ( -0.742 -0.614 -1.244) 1.574 7.283 ( 4.215 3.466 10.493) 11.828 7.796 ( -1.145 -10.064 1.923) 10.309 7.844 ( 1.208 -2.196 -1.619) 2.983 7.978 ( 1.465 -2.944 -1.330) 3.548 8.452 ( -4.096 16.591 1.762) 17.180 8.681 ( 1.992 7.331 -0.857) 7.645 9.219 ( -1.433 -5.888 1.799) 6.321 9.288 ( -1.569 -5.364 -2.254) 6.026 ======================= Grid point 275 (94/147) ======================= q-point: ( 0.17 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 1.755 3.845 11.560) 12.308 1.514 ( 2.766 0.885 6.384) 7.014 1.699 ( 2.681 4.928 4.563) 7.232 1.802 ( 0.598 2.049 -0.545) 2.203 2.013 ( 3.277 -2.656 1.957) 4.650 2.083 ( 2.022 -2.782 -5.686) 6.646 2.641 ( 3.399 2.709 11.599) 12.387 2.914 ( -3.102 -4.866 10.786) 12.232 2.926 ( -3.896 3.825 9.608) 11.051 3.153 ( -2.323 2.378 7.499) 8.203 4.711 ( -2.732 -5.731 4.699) 7.898 4.728 ( -1.393 -6.212 3.215) 7.132 5.899 ( -8.727 4.583 10.324) 14.274 6.320 ( -6.736 -7.409 5.748) 11.546 6.760 ( -2.085 2.306 -2.546) 4.018 6.841 ( -2.731 -0.431 -2.095) 3.469 7.380 ( 5.468 2.412 8.893) 10.715 7.758 ( -2.219 -10.016 3.268) 10.767 7.895 ( 3.418 0.901 -1.858) 3.993 8.003 ( 0.920 -1.601 -0.992) 2.096 8.381 ( -2.929 15.078 4.088) 15.894 8.699 ( -0.237 6.473 -2.595) 6.978 9.178 ( -2.679 -6.461 1.328) 7.120 9.243 ( -3.091 -5.000 -2.308) 6.315 ======================= Grid point 276 (95/147) ======================= q-point: ( 0.25 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 2.010 4.518 10.792) 11.871 1.569 ( 2.689 1.960 4.563) 5.647 1.731 ( 0.812 4.680 0.965) 4.847 1.852 ( 3.958 2.262 2.493) 5.196 2.071 ( 1.909 -3.015 -0.235) 3.577 2.111 ( 1.343 -3.198 -4.639) 5.792 2.664 ( -1.739 -0.410 5.792) 6.061 2.832 ( -4.866 1.461 7.100) 8.731 2.874 ( -1.345 0.302 9.257) 9.359 3.103 ( -2.658 1.878 5.976) 6.804 4.658 ( -2.364 -5.099 2.912) 6.330 4.704 ( -1.052 -6.639 0.724) 6.760 5.768 ( -3.888 4.913 4.402) 7.657 6.209 ( -4.370 -7.716 1.767) 9.042 6.700 ( -4.291 1.947 -4.340) 6.406 6.761 ( -5.612 -0.227 -3.449) 6.591 7.488 ( 5.565 1.504 7.342) 9.335 7.722 ( -1.229 -6.587 4.168) 7.891 7.959 ( 2.749 0.423 0.048) 2.782 8.009 ( -0.382 0.071 -0.382) 0.544 8.342 ( -1.022 13.393 3.709) 13.934 8.673 ( -2.277 5.795 -3.151) 6.978 9.120 ( -3.069 -6.774 0.781) 7.478 9.173 ( -3.974 -4.958 -2.122) 6.699 ======================= Grid point 277 (96/147) ======================= q-point: ( 0.33 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 2.877 3.371 9.234) 10.242 1.615 ( 2.172 2.006 3.710) 4.744 1.740 ( 0.116 2.454 1.645) 2.957 1.901 ( -0.634 -0.229 -0.342) 0.756 2.091 ( 1.974 -0.857 -2.733) 3.478 2.149 ( 2.037 -0.436 0.777) 2.223 2.589 ( -4.941 -0.825 4.083) 6.462 2.732 ( -5.476 2.725 2.415) 6.576 2.868 ( 0.562 0.652 5.717) 5.781 3.054 ( -2.505 0.773 4.278) 5.017 4.629 ( -0.531 -4.947 -0.065) 4.976 4.688 ( -0.658 -6.728 -1.703) 6.972 5.767 ( 3.757 4.142 -2.658) 6.192 6.159 ( -0.656 -7.432 -2.484) 7.864 6.585 ( -7.767 1.772 -6.513) 10.290 6.629 ( -7.543 -0.487 -4.947) 9.034 7.594 ( 5.229 1.156 5.998) 8.041 7.721 ( 1.424 -3.488 5.253) 6.464 7.977 ( -2.095 1.386 1.448) 2.900 7.989 ( -0.897 0.101 2.797) 2.939 8.347 ( 1.577 11.403 0.719) 11.534 8.617 ( -3.408 5.572 -3.272) 7.305 9.065 ( -2.536 -6.719 0.328) 7.189 9.097 ( -3.590 -5.203 -1.618) 6.525 ======================= Grid point 278 (97/147) ======================= q-point: ( 0.42 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 4.680 0.742 5.759) 7.457 1.657 ( 2.201 0.760 3.813) 4.468 1.728 ( -1.580 0.829 3.793) 4.192 1.823 ( -6.091 -2.477 -1.441) 6.732 2.156 ( 3.421 2.816 -0.335) 4.443 2.182 ( 1.393 1.462 1.315) 2.410 2.512 ( -2.123 0.622 2.295) 3.188 2.622 ( -5.627 3.468 -0.152) 6.612 2.894 ( 2.023 0.178 2.037) 2.877 3.001 ( -2.948 -0.094 2.106) 3.625 4.635 ( 0.962 -5.221 -2.744) 5.976 4.675 ( -0.723 -6.372 -3.482) 7.297 5.902 ( 9.610 2.246 -7.805) 12.582 6.177 ( 1.668 -6.694 -6.195) 9.272 6.407 ( -9.402 2.383 -7.729) 12.403 6.480 ( -7.702 -1.313 -6.388) 10.092 7.690 ( 4.910 1.487 5.068) 7.212 7.780 ( 4.402 -1.206 5.881) 7.444 7.901 ( -5.144 1.578 3.109) 6.214 7.951 ( -3.176 0.996 5.038) 6.038 8.398 ( 3.449 8.758 -1.870) 9.597 8.546 ( -3.818 5.893 -3.191) 7.713 9.026 ( -1.331 -6.393 -0.049) 6.530 9.041 ( -2.136 -5.572 -0.944) 6.042 ======================= Grid point 279 (98/147) ======================= q-point: (-0.50 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -4.845 -1.420 2.553) 5.657 1.654 ( 4.845 -1.420 2.553) 5.658 1.720 ( -3.306 0.073 3.519) 4.829 1.720 ( 3.306 0.073 3.519) 4.829 2.194 ( -0.572 2.685 0.880) 2.883 2.194 ( 0.572 2.685 0.880) 2.883 2.527 ( -3.530 2.668 -0.066) 4.426 2.527 ( 3.530 2.668 -0.066) 4.426 2.943 ( -2.907 -0.182 0.855) 3.036 2.943 ( 2.908 -0.182 0.855) 3.036 4.657 ( -1.149 -5.778 -3.951) 7.093 4.657 ( 1.149 -5.778 -3.951) 7.093 6.106 ( -10.000 -1.036 -9.550) 13.866 6.106 ( 10.000 -1.036 -9.550) 13.866 6.349 ( -4.600 -0.979 -6.635) 8.133 6.349 ( 4.600 -0.979 -6.635) 8.133 7.793 ( -5.687 1.897 4.470) 7.478 7.793 ( 5.687 1.897 4.470) 7.478 7.873 ( -4.699 0.258 5.640) 7.346 7.873 ( 4.699 0.258 5.640) 7.346 8.471 ( -3.892 6.883 -2.860) 8.408 8.471 ( 3.892 6.883 -2.860) 8.408 9.016 ( -0.351 -5.976 -0.418) 6.001 9.016 ( 0.351 -5.976 -0.418) 6.001 ======================= Grid point 286 (99/147) ======================= q-point: ( 0.00 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 2.289 10.371) 10.621 1.436 ( 0.000 -1.856 7.525) 7.750 1.687 ( 0.000 4.198 9.385) 10.281 1.765 ( 0.000 -4.033 5.365) 6.712 1.980 ( 0.000 2.325 -3.029) 3.819 2.011 ( 0.000 -0.660 -1.868) 1.981 2.684 ( 0.000 8.128 14.506) 16.628 2.830 ( 0.000 -7.491 10.429) 12.841 3.113 ( 0.000 6.253 15.024) 16.273 3.209 ( 0.000 -2.716 12.876) 13.159 4.648 ( 0.000 -3.350 4.425) 5.550 4.663 ( 0.000 -4.697 4.927) 6.808 6.235 ( 0.000 6.370 12.796) 14.294 6.369 ( 0.000 -7.705 11.007) 13.436 6.835 ( 0.000 1.730 -1.037) 2.017 6.861 ( 0.000 -1.131 -0.870) 1.427 7.354 ( 0.000 8.501 9.501) 12.749 7.555 ( 0.000 -12.961 6.814) 14.644 7.853 ( 0.000 2.549 -2.861) 3.832 7.905 ( 0.000 -2.971 -2.340) 3.782 8.796 ( 0.000 11.261 -2.195) 11.473 8.803 ( 0.000 7.906 1.453) 8.038 9.110 ( 0.000 -5.431 2.393) 5.935 9.161 ( 0.000 -8.642 -1.342) 8.745 ======================= Grid point 287 (100/147) ======================= q-point: ( 0.08 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 2.333 2.580 9.628) 10.237 1.457 ( 2.160 -1.476 6.938) 7.415 1.718 ( 3.063 4.359 8.820) 10.304 1.793 ( 2.646 -3.120 3.850) 5.617 1.966 ( -0.946 2.333 -1.577) 2.971 2.016 ( 0.132 -2.230 -2.657) 3.472 2.698 ( 1.215 7.375 13.007) 15.002 2.830 ( -0.126 -6.834 10.012) 12.122 3.091 ( -2.172 6.503 14.078) 15.659 3.192 ( -1.680 -2.979 12.116) 12.589 4.638 ( -1.033 -3.433 4.055) 5.412 4.650 ( -1.305 -4.482 4.628) 6.573 6.165 ( -6.640 6.621 11.946) 15.187 6.303 ( -6.133 -7.940 10.149) 14.271 6.828 ( -0.800 1.840 -1.339) 2.412 6.856 ( -0.692 -1.204 -1.169) 1.816 7.385 ( 2.926 7.559 8.993) 12.107 7.565 ( 0.845 -11.490 6.549) 13.253 7.872 ( 1.874 2.335 -2.584) 3.955 7.921 ( 1.572 -2.920 -2.069) 3.909 8.738 ( -3.487 12.869 1.113) 13.379 8.829 ( 0.480 5.626 -1.046) 5.742 9.091 ( -1.876 -5.189 1.853) 5.821 9.152 ( -1.110 -8.363 -1.696) 8.605 ======================= Grid point 288 (101/147) ======================= q-point: ( 0.17 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 3.070 3.504 8.416) 9.620 1.514 ( 3.486 -0.870 6.163) 7.134 1.797 ( 4.632 4.784 6.519) 9.319 1.846 ( 2.047 1.012 -0.748) 2.403 1.964 ( 1.496 -0.936 2.164) 2.792 2.013 ( -0.277 -4.343 -3.513) 5.593 2.717 ( 0.267 5.025 9.628) 10.864 2.815 ( -1.685 -5.294 9.560) 11.057 3.038 ( -2.977 7.207 11.188) 13.637 3.149 ( -2.568 -3.395 9.641) 10.539 4.609 ( -1.923 -3.483 3.211) 5.113 4.617 ( -1.890 -4.180 3.378) 5.697 6.013 ( -8.043 7.344 8.912) 14.073 6.164 ( -7.330 -8.616 7.266) 13.445 6.799 ( -2.324 1.802 -2.367) 3.775 6.827 ( -2.521 -1.143 -2.088) 3.467 7.453 ( 3.872 5.480 7.925) 10.384 7.584 ( 1.122 -8.347 6.047) 10.369 7.920 ( 2.833 1.741 -1.630) 3.704 7.959 ( 2.073 -2.430 -1.249) 3.430 8.674 ( -3.001 14.622 2.401) 15.118 8.821 ( -1.150 3.000 -0.841) 3.321 9.041 ( -3.285 -4.968 0.595) 5.985 9.113 ( -2.919 -8.140 -2.386) 8.971 ======================= Grid point 289 (102/147) ======================= q-point: ( 0.25 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 2.145 4.489 8.265) 9.647 1.580 ( 2.899 -1.004 6.108) 6.836 1.832 ( -1.085 5.262 -1.988) 5.729 1.892 ( 1.744 0.338 -0.460) 1.835 2.012 ( 2.900 -1.694 1.285) 3.597 2.042 ( 4.387 -3.581 1.020) 5.754 2.691 ( -3.035 3.121 6.915) 8.171 2.766 ( -3.195 -4.494 8.570) 10.191 2.987 ( -2.159 7.502 6.733) 10.309 3.097 ( -2.759 -3.221 5.930) 7.291 4.569 ( -1.905 -2.952 1.641) 3.878 4.584 ( -1.448 -4.592 1.097) 4.938 5.889 ( -4.065 7.711 3.516) 9.399 6.047 ( -4.288 -8.952 2.547) 10.247 6.731 ( -4.881 1.351 -4.044) 6.482 6.751 ( -5.370 -0.840 -3.600) 6.519 7.533 ( 4.327 3.296 6.948) 8.824 7.611 ( 1.873 -5.114 5.804) 7.959 7.971 ( 2.125 0.859 0.096) 2.294 7.991 ( 0.979 -1.276 0.131) 1.614 8.626 ( -1.828 15.129 2.448) 15.434 8.790 ( -2.038 3.112 -0.454) 3.747 8.970 ( -3.822 -6.120 -0.636) 7.243 9.043 ( -4.154 -8.245 -2.830) 9.656 ======================= Grid point 290 (103/147) ======================= q-point: ( 0.33 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 1.326 4.375 8.287) 9.464 1.620 ( 1.348 -1.718 6.095) 6.474 1.798 ( -2.263 3.430 -1.547) 4.391 1.863 ( -3.785 -3.325 -3.123) 5.928 2.110 ( 6.086 1.840 1.466) 6.525 2.135 ( 4.616 -0.970 2.104) 5.165 2.615 ( -4.193 3.453 5.208) 7.525 2.697 ( -3.749 -4.518 5.536) 8.069 2.953 ( -1.435 6.329 2.395) 6.918 3.043 ( -2.781 -2.591 2.259) 4.422 4.544 ( -0.593 -2.694 -0.993) 2.932 4.564 ( -0.590 -4.870 -1.423) 5.108 5.870 ( 2.105 6.657 -2.619) 7.457 6.009 ( 0.414 -8.080 -2.602) 8.498 6.607 ( -7.828 0.737 -5.996) 9.888 6.619 ( -8.024 -0.588 -5.350) 9.662 7.623 ( 4.950 1.879 6.222) 8.169 7.664 ( 3.698 -2.580 5.976) 7.487 7.988 ( -1.481 0.219 1.983) 2.484 7.991 ( -0.326 -0.041 2.378) 2.400 8.604 ( -0.405 14.457 1.214) 14.514 8.744 ( -2.605 5.757 -0.641) 6.351 8.902 ( -2.886 -8.613 -1.328) 9.180 8.961 ( -3.961 -8.605 -2.808) 9.880 ======================= Grid point 291 (104/147) ======================= q-point: ( 0.42 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 2.188 2.905 6.364) 7.330 1.642 ( 1.173 -2.176 5.349) 5.893 1.744 ( -3.262 0.955 1.386) 3.671 1.773 ( -4.904 -2.297 -0.633) 5.452 2.211 ( 3.577 2.084 1.717) 4.482 2.218 ( 4.024 1.601 0.547) 4.365 2.550 ( -1.947 3.396 3.185) 5.047 2.622 ( -3.915 -3.207 2.679) 5.726 2.936 ( -0.091 3.820 -0.774) 3.898 2.991 ( -2.496 -1.465 -0.652) 2.967 4.544 ( 0.422 -3.028 -3.255) 4.466 4.558 ( -0.156 -4.557 -3.431) 5.707 5.962 ( 6.876 4.143 -7.267) 10.828 6.056 ( 3.887 -5.914 -6.734) 9.769 6.436 ( -9.088 0.972 -7.256) 11.670 6.455 ( -8.507 -1.219 -6.812) 10.966 7.723 ( 5.460 1.889 5.707) 8.121 7.755 ( 5.554 -1.510 6.106) 8.390 7.932 ( -4.230 1.553 3.876) 5.944 7.954 ( -3.413 -0.672 4.369) 5.585 8.611 ( 1.077 12.705 -0.377) 12.756 8.692 ( -2.711 8.550 -1.161) 9.044 8.864 ( -1.031 -10.092 -1.605) 10.271 8.897 ( -2.612 -9.172 -2.381) 9.829 ======================= Grid point 292 (105/147) ======================= q-point: (-0.50 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -2.622 0.213 3.307) 4.226 1.644 ( 2.622 0.213 3.307) 4.226 1.704 ( -1.392 -1.168 3.632) 4.062 1.704 ( 1.392 -1.168 3.632) 4.062 2.254 ( -0.550 2.624 0.972) 2.852 2.254 ( 0.550 2.624 0.972) 2.852 2.556 ( -2.417 0.206 1.771) 3.004 2.556 ( 2.417 0.206 1.771) 3.004 2.951 ( -1.513 0.756 -1.904) 2.547 2.951 ( 1.513 0.756 -1.904) 2.547 4.553 ( -0.411 -3.794 -4.128) 5.622 4.553 ( 0.411 -3.794 -4.128) 5.622 6.089 ( -3.549 -0.590 -9.183) 9.863 6.089 ( 3.549 -0.590 -9.183) 9.863 6.333 ( -1.533 -0.593 -6.985) 7.176 6.333 ( 1.533 -0.593 -6.985) 7.176 7.833 ( -5.621 2.136 5.269) 7.995 7.833 ( 5.621 2.136 5.269) 7.995 7.866 ( -5.400 -1.110 5.450) 7.752 7.866 ( 5.400 -1.110 5.450) 7.752 8.643 ( -2.174 10.621 -1.217) 10.909 8.643 ( 2.174 10.621 -1.217) 10.909 8.863 ( -0.874 -9.858 -1.910) 10.080 8.863 ( 0.874 -9.858 -1.910) 10.080 ======================= Grid point 325 (106/147) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.000 0.000 9.801) 9.801 1.619 ( 0.000 0.000 1.348) 1.348 1.677 ( 0.000 0.000 9.973) 9.973 1.789 ( 0.000 0.000 -4.312) 4.312 1.877 ( 0.000 0.000 -2.260) 2.260 1.978 ( 0.000 0.000 -0.925) 0.925 2.849 ( 0.000 0.000 15.647) 15.647 3.195 ( 0.000 0.000 3.511) 3.511 3.210 ( 0.000 0.000 8.544) 8.544 3.261 ( 0.000 0.000 5.383) 5.383 4.915 ( 0.000 0.000 4.033) 4.033 4.948 ( 0.000 0.000 3.634) 3.634 6.376 ( 0.000 0.000 13.260) 13.260 6.739 ( 0.000 0.000 7.513) 7.513 6.750 ( 0.000 0.000 -0.762) 0.762 6.888 ( 0.000 0.000 0.972) 0.972 7.389 ( 0.000 0.000 7.661) 7.661 7.720 ( 0.000 0.000 -4.378) 4.378 7.950 ( 0.000 0.000 -2.293) 2.293 8.004 ( 0.000 0.000 -5.605) 5.605 8.341 ( 0.000 0.000 7.093) 7.093 8.586 ( 0.000 0.000 -0.451) 0.451 9.303 ( 0.000 0.000 0.256) 0.256 9.321 ( 0.000 0.000 -1.379) 1.379 ======================= Grid point 326 (107/147) ======================= q-point: ( 0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -0.021 0.000 9.061) 9.061 1.638 ( 1.396 0.000 1.719) 2.214 1.650 ( -2.223 0.000 6.034) 6.431 1.794 ( 1.055 0.000 1.498) 1.833 1.918 ( 3.066 0.000 -5.074) 5.928 1.986 ( 0.835 0.000 -1.445) 1.669 2.843 ( -0.783 0.000 13.403) 13.426 3.120 ( -5.499 0.000 3.944) 6.767 3.227 ( -0.398 0.000 8.015) 8.025 3.254 ( -0.758 0.000 5.590) 5.641 4.898 ( -1.780 0.000 3.713) 4.117 4.925 ( -2.249 0.000 3.637) 4.276 6.299 ( -7.672 0.000 13.673) 15.678 6.673 ( -6.287 0.000 7.564) 9.835 6.730 ( -2.030 0.000 -1.618) 2.596 6.869 ( -2.050 0.000 0.052) 2.050 7.426 ( 3.460 0.000 7.175) 7.966 7.744 ( 2.437 0.000 -4.390) 5.021 7.951 ( 0.106 0.000 -2.282) 2.284 7.972 ( -2.951 0.000 -4.171) 5.109 8.341 ( -0.011 0.000 6.806) 6.806 8.588 ( 0.031 0.000 -1.255) 1.255 9.290 ( -1.370 0.000 0.150) 1.378 9.304 ( -1.700 0.000 -1.336) 2.162 ======================= Grid point 327 (108/147) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 237 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.372 0.000 9.119) 9.127 1.615 ( -0.991 0.000 3.875) 4.000 1.671 ( 2.306 0.000 1.221) 2.609 1.832 ( 2.743 0.000 3.996) 4.847 1.967 ( 1.637 0.000 -7.683) 7.856 2.009 ( 1.536 0.000 -2.884) 3.267 2.813 ( -2.509 0.000 7.591) 7.995 2.994 ( -7.361 0.000 2.493) 7.772 3.189 ( -3.351 0.000 8.918) 9.527 3.232 ( -1.443 0.000 6.040) 6.210 4.851 ( -2.890 0.000 2.710) 3.962 4.864 ( -3.979 0.000 3.511) 5.306 6.104 ( -11.488 0.000 13.946) 18.068 6.522 ( -8.712 0.000 6.940) 11.138 6.671 ( -4.175 0.000 -3.925) 5.730 6.804 ( -4.691 0.000 -2.127) 5.151 7.507 ( 4.580 0.000 6.288) 7.780 7.811 ( 4.242 0.000 -4.511) 6.192 7.908 ( -3.298 0.000 -1.346) 3.562 7.954 ( 0.204 0.000 -2.123) 2.133 8.336 ( -0.636 0.000 6.101) 6.134 8.580 ( -1.016 0.000 -2.502) 2.701 9.251 ( -2.594 0.000 0.033) 2.595 9.258 ( -2.949 0.000 -1.122) 3.155 ======================= Grid point 328 (109/147) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -0.202 0.000 7.146) 7.149 1.618 ( 1.273 0.000 3.937) 4.138 1.731 ( 3.489 0.000 3.244) 4.764 1.889 ( 2.414 0.000 2.246) 3.297 1.980 ( 0.172 0.000 -8.176) 8.178 2.045 ( 2.211 0.000 -4.687) 5.183 2.741 ( -4.878 0.000 1.779) 5.192 2.843 ( -7.980 0.000 1.180) 8.067 3.104 ( -5.114 0.000 8.596) 10.002 3.195 ( -2.466 0.000 5.417) 5.952 4.780 ( -4.431 0.000 2.846) 5.266 4.791 ( -3.115 0.000 1.088) 3.299 5.892 ( -9.417 0.000 12.049) 15.293 6.358 ( -7.643 0.000 4.947) 9.105 6.565 ( -6.837 0.000 -6.942) 9.743 6.687 ( -7.227 0.000 -4.274) 8.397 7.597 ( 4.608 0.000 5.417) 7.112 7.857 ( -1.706 0.000 1.404) 2.209 7.896 ( 3.848 0.000 -5.013) 6.320 7.962 ( 0.993 0.000 -1.147) 1.517 8.313 ( -1.819 0.000 5.143) 5.455 8.547 ( -2.403 0.000 -3.238) 4.033 9.195 ( -3.041 0.000 0.116) 3.043 9.196 ( -3.323 0.000 -0.615) 3.379 ======================= Grid point 329 (110/147) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 237 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.509 0.000 4.424) 4.453 1.659 ( 2.705 0.000 4.217) 5.010 1.792 ( 2.575 0.000 5.379) 5.963 1.881 ( -3.127 0.000 -4.603) 5.565 2.017 ( 3.655 0.000 -2.212) 4.273 2.092 ( 2.410 0.000 -5.415) 5.927 2.632 ( -5.972 0.000 -0.869) 6.035 2.692 ( -7.494 0.000 0.443) 7.507 3.008 ( -4.391 0.000 6.237) 7.627 3.133 ( -4.042 0.000 3.075) 5.078 4.703 ( -3.193 0.000 1.291) 3.444 4.734 ( -2.709 0.000 -0.742) 2.809 5.771 ( -2.544 0.000 6.867) 7.323 6.241 ( -4.143 0.000 1.948) 4.578 6.402 ( -9.981 0.000 -9.231) 13.596 6.534 ( -8.287 0.000 -5.543) 9.970 7.681 ( 4.015 0.000 4.464) 6.004 7.850 ( 1.101 0.000 3.626) 3.790 7.921 ( -0.777 0.000 -3.373) 3.462 8.014 ( 3.159 0.000 -0.292) 3.173 8.273 ( -1.841 0.000 3.050) 3.563 8.489 ( -3.452 0.000 -3.605) 4.991 9.136 ( -2.689 0.000 0.091) 2.691 9.139 ( -2.556 0.000 0.362) 2.581 ======================= Grid point 330 (111/147) ======================= q-point: ( 0.42 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 2.023 0.000 1.159) 2.332 1.703 ( 0.705 0.000 1.344) 1.517 1.813 ( -2.421 0.000 -0.623) 2.500 1.824 ( 0.628 0.000 6.421) 6.451 2.092 ( 3.549 0.000 -2.030) 4.088 2.131 ( 1.449 0.000 -4.482) 4.710 2.529 ( -4.128 0.000 -0.894) 4.224 2.561 ( -5.619 0.000 0.456) 5.638 2.952 ( -1.086 0.000 2.549) 2.771 3.045 ( -4.665 0.000 0.724) 4.721 4.662 ( -1.039 0.000 -0.727) 1.268 4.688 ( -1.965 0.000 -2.052) 2.841 5.800 ( 5.391 0.000 -0.152) 5.394 6.186 ( -11.899 0.000 -9.114) 14.989 6.205 ( 0.466 0.000 -1.302) 1.383 6.378 ( -7.468 0.000 -5.659) 9.370 7.754 ( 3.659 0.000 3.368) 4.973 7.887 ( -2.574 0.000 -1.107) 2.802 7.897 ( 3.472 0.000 4.812) 5.934 8.032 ( -1.646 0.000 3.776) 4.119 8.271 ( 2.089 0.000 -1.761) 2.732 8.416 ( -4.029 0.000 -3.847) 5.570 9.096 ( -1.388 0.000 0.655) 1.535 9.099 ( -1.489 0.000 0.655) 1.626 ======================= Grid point 331 (112/147) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -3.325 0.000 -2.013) 3.887 1.664 ( 3.325 0.000 -2.013) 3.887 1.816 ( -1.265 0.000 6.262) 6.389 1.816 ( 1.265 0.000 6.262) 6.389 2.138 ( -0.976 0.000 -3.247) 3.391 2.138 ( 0.976 0.000 -3.247) 3.391 2.493 ( -0.894 0.000 0.068) 0.896 2.493 ( 0.894 0.000 0.068) 0.896 2.969 ( -2.734 0.000 0.262) 2.746 2.969 ( 2.734 0.000 0.262) 2.746 4.661 ( -0.806 0.000 -2.104) 2.253 4.661 ( 0.806 0.000 -2.104) 2.253 5.962 ( -10.631 0.000 -6.050) 12.232 5.962 ( 10.631 0.000 -6.050) 12.232 6.257 ( -4.741 0.000 -4.104) 6.270 6.257 ( 4.741 0.000 -4.104) 6.270 7.826 ( -3.634 0.000 1.485) 3.926 7.826 ( 3.634 0.000 1.485) 3.926 7.971 ( -3.933 0.000 5.197) 6.517 7.971 ( 3.933 0.000 5.197) 6.517 8.336 ( -4.059 0.000 -3.766) 5.537 8.336 ( 4.059 0.000 -3.766) 5.537 9.083 ( -0.110 0.000 0.824) 0.832 9.083 ( 0.110 0.000 0.824) 0.832 ======================= Grid point 338 (113/147) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 -0.464 8.975) 8.987 1.589 ( 0.000 -1.475 4.664) 4.892 1.762 ( 0.000 6.381 7.812) 10.087 1.802 ( 0.000 1.263 -2.534) 2.831 1.880 ( 0.000 0.435 -3.013) 3.044 1.991 ( 0.000 0.924 -0.613) 1.108 2.868 ( 0.000 1.959 13.488) 13.630 3.100 ( 0.000 -6.090 4.662) 7.670 3.252 ( 0.000 4.384 9.275) 10.259 3.349 ( 0.000 5.232 5.477) 7.574 4.841 ( 0.000 -6.922 3.763) 7.879 4.873 ( 0.000 -7.108 3.312) 7.842 6.407 ( 0.000 3.121 13.009) 13.378 6.682 ( 0.000 -4.438 8.107) 9.242 6.784 ( 0.000 2.077 -0.248) 2.091 6.880 ( 0.000 -0.852 0.758) 1.141 7.415 ( 0.000 2.854 7.184) 7.730 7.736 ( 0.000 1.586 -4.462) 4.736 7.853 ( 0.000 -11.363 -0.607) 11.380 7.913 ( 0.000 -3.452 -2.915) 4.518 8.522 ( 0.000 14.250 2.519) 14.471 8.666 ( 0.000 7.631 -0.022) 7.631 9.255 ( 0.000 -4.932 0.466) 4.954 9.270 ( 0.000 -5.286 -1.222) 5.426 ======================= Grid point 339 (114/147) ======================= q-point: ( 0.08 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -0.394 -0.403 8.131) 8.151 1.596 ( 0.900 -1.101 4.634) 4.847 1.746 ( -1.383 5.665 1.184) 5.950 1.813 ( 1.635 2.228 4.297) 5.109 1.914 ( 2.536 -0.270 -4.574) 5.237 1.998 ( 0.691 0.790 -0.697) 1.260 2.855 ( -1.361 1.544 11.288) 11.474 3.096 ( -0.485 -4.938 5.420) 7.348 3.201 ( -4.848 4.064 7.576) 9.870 3.343 ( -1.013 4.582 6.629) 8.122 4.824 ( -1.767 -6.882 3.433) 7.891 4.853 ( -2.025 -6.904 3.308) 7.919 6.329 ( -7.668 3.097 13.267) 15.634 6.614 ( -6.553 -4.984 8.273) 11.672 6.763 ( -2.083 2.372 -1.298) 3.413 6.863 ( -1.821 -0.650 -0.013) 1.933 7.449 ( 3.188 2.521 6.800) 7.922 7.757 ( 1.993 1.047 -4.245) 4.805 7.836 ( -1.137 -9.054 -0.270) 9.129 7.931 ( 1.373 -3.539 -3.139) 4.925 8.503 ( -1.702 13.555 3.394) 14.076 8.668 ( 0.006 7.626 -0.839) 7.672 9.239 ( -1.622 -5.239 0.440) 5.502 9.253 ( -1.717 -5.285 -1.339) 5.716 ======================= Grid point 340 (115/147) ======================= q-point: ( 0.17 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -0.040 -0.056 5.901) 5.902 1.632 ( 2.668 0.202 5.336) 5.969 1.724 ( -0.675 4.441 -0.741) 4.553 1.856 ( 2.464 2.189 4.334) 5.445 1.954 ( 1.307 -1.001 -6.467) 6.673 2.020 ( 1.751 0.862 -0.665) 2.062 2.813 ( -3.104 0.848 6.256) 7.035 3.065 ( -5.292 6.162 4.934) 9.504 3.093 ( -3.526 -5.735 7.035) 9.737 3.302 ( -3.196 3.293 7.075) 8.433 4.776 ( -2.987 -6.805 2.551) 7.857 4.797 ( -3.579 -6.422 3.051) 7.960 6.136 ( -11.319 3.292 13.234) 17.723 6.454 ( -9.253 -5.903 7.505) 13.297 6.703 ( -4.165 2.540 -3.513) 6.012 6.803 ( -4.507 -0.331 -2.009) 4.946 7.524 ( 4.306 1.883 6.096) 7.697 7.784 ( -0.102 -4.960 -0.835) 5.031 7.846 ( 3.078 -0.825 -2.279) 3.918 7.956 ( 1.177 -1.857 -3.315) 3.977 8.465 ( -2.119 12.189 4.325) 13.106 8.657 ( -1.242 7.409 -1.929) 7.756 9.194 ( -2.919 -5.915 0.415) 6.609 9.206 ( -3.013 -5.357 -1.402) 6.304 ======================= Grid point 341 (116/147) ======================= q-point: ( 0.25 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 1.331 1.117 4.473) 4.799 1.673 ( 0.839 3.004 4.782) 5.709 1.735 ( 2.405 0.728 0.687) 2.605 1.885 ( -0.341 -1.350 -2.035) 2.466 1.980 ( 2.372 1.468 -2.873) 4.004 2.065 ( 2.713 1.572 -2.052) 3.748 2.734 ( -4.984 0.600 2.060) 5.427 2.914 ( -8.571 5.281 2.109) 10.286 3.046 ( -2.784 -3.704 7.388) 8.721 3.225 ( -4.631 1.387 5.735) 7.500 4.709 ( -3.887 -6.482 1.932) 7.801 4.726 ( -3.484 -6.265 1.446) 7.313 5.927 ( -9.320 3.617 11.123) 14.955 6.280 ( -8.196 -6.786 5.147) 11.821 6.598 ( -6.718 2.451 -6.231) 9.485 6.688 ( -7.282 -0.170 -4.083) 8.350 7.610 ( 4.515 1.408 5.407) 7.184 7.780 ( 0.286 -4.684 1.933) 5.075 7.926 ( 4.416 0.998 -3.112) 5.494 7.974 ( 0.586 0.099 -2.646) 2.712 8.421 ( -2.355 11.128 4.139) 12.104 8.618 ( -2.735 7.059 -2.605) 8.006 9.133 ( -3.227 -6.426 0.440) 7.204 9.142 ( -3.492 -5.687 -1.035) 6.753 ======================= Grid point 342 (117/147) ======================= q-point: ( 0.33 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 1.208 2.379 3.411) 4.331 1.687 ( 1.309 1.977 3.188) 3.973 1.792 ( 2.599 -0.301 4.074) 4.842 1.844 ( -3.304 -3.107 -5.137) 6.853 2.049 ( 4.269 3.386 -0.827) 5.511 2.118 ( 2.582 2.253 -3.177) 4.673 2.627 ( -5.687 0.719 0.399) 5.746 2.750 ( -8.119 4.136 -0.207) 9.115 2.984 ( -3.310 -1.646 5.490) 6.618 3.129 ( -5.217 -0.680 3.009) 6.061 4.639 ( -3.073 -6.024 0.726) 6.801 4.665 ( -2.748 -6.505 -0.667) 7.093 5.804 ( -2.906 3.404 6.051) 7.527 6.151 ( -4.892 -7.300 1.335) 8.889 6.444 ( -9.112 2.589 -7.949) 12.366 6.530 ( -8.732 -0.537 -5.264) 10.210 7.695 ( 4.192 1.431 4.576) 6.369 7.807 ( 2.634 -2.623 3.616) 5.186 7.963 ( -0.797 2.260 -2.283) 3.310 8.011 ( 2.920 -0.293 -0.533) 2.983 8.377 ( -1.911 10.747 2.406) 11.178 8.555 ( -3.657 6.746 -3.065) 8.263 9.074 ( -2.763 -6.595 0.137) 7.151 9.079 ( -2.735 -6.178 0.039) 6.756 ======================= Grid point 343 (118/147) ======================= q-point: ( 0.42 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 1.237 1.894 1.550) 2.742 1.712 ( -0.389 0.375 0.557) 0.776 1.788 ( -0.787 -1.628 0.913) 2.026 1.824 ( 0.533 -0.616 4.937) 5.004 2.129 ( 3.549 3.740 -1.867) 5.483 2.160 ( 1.568 2.703 -3.109) 4.408 2.533 ( -3.360 1.188 0.016) 3.564 2.608 ( -6.328 3.430 -1.238) 7.304 2.937 ( -1.028 -1.086 2.300) 2.743 3.028 ( -4.897 -1.631 0.596) 5.196 4.598 ( -1.070 -5.966 -1.159) 6.171 4.620 ( -1.849 -6.427 -2.135) 7.020 5.821 ( 4.405 2.112 -0.594) 4.921 6.080 ( -3.683 -6.493 -4.188) 8.559 6.271 ( -6.995 2.655 -5.825) 9.482 6.365 ( -7.851 -1.307 -5.305) 9.564 7.774 ( 4.086 1.997 3.587) 5.792 7.875 ( 3.632 -0.614 3.489) 5.074 7.932 ( -1.916 2.482 0.861) 3.252 8.031 ( -1.205 -0.412 2.751) 3.032 8.365 ( 0.981 9.735 -1.114) 9.847 8.482 ( -3.851 6.876 -3.346) 8.562 9.032 ( -1.435 -6.690 0.263) 6.847 9.038 ( -1.569 -6.472 0.610) 6.687 ======================= Grid point 344 (119/147) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -2.728 0.521 -0.646) 2.851 1.666 ( 2.728 0.521 -0.646) 2.851 1.812 ( -1.646 -0.733 5.399) 5.691 1.812 ( 1.646 -0.733 5.399) 5.691 2.171 ( -0.632 3.354 -2.673) 4.335 2.171 ( 0.632 3.354 -2.673) 4.335 2.520 ( -2.217 2.353 -0.734) 3.316 2.520 ( 2.217 2.353 -0.734) 3.316 2.952 ( -2.560 -1.459 0.153) 2.951 2.952 ( 2.560 -1.459 0.153) 2.951 4.595 ( -0.678 -6.156 -2.372) 6.632 4.595 ( 0.678 -6.156 -2.372) 6.632 5.953 ( -8.310 -0.767 -5.979) 10.266 5.953 ( 8.310 -0.767 -5.979) 10.266 6.245 ( -3.708 -1.032 -3.963) 5.524 6.245 ( 3.708 -1.032 -3.963) 5.524 7.853 ( -3.859 2.563 1.841) 4.985 7.853 ( 3.859 2.563 1.841) 4.985 7.974 ( -4.061 -0.045 4.713) 6.221 7.974 ( 4.061 -0.045 4.713) 6.221 8.410 ( -3.316 7.858 -3.125) 9.084 8.410 ( 3.316 7.858 -3.125) 9.084 9.020 ( -0.188 -6.643 0.570) 6.670 9.020 ( 0.188 -6.643 0.570) 6.670 ======================= Grid point 351 (120/147) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.000 -0.223 7.726) 7.729 1.572 ( 0.000 -0.400 6.460) 6.472 1.829 ( 0.000 1.343 0.506) 1.435 1.840 ( 0.000 0.788 4.771) 4.835 1.923 ( 0.000 4.479 -1.525) 4.731 1.988 ( 0.000 -1.778 0.074) 1.779 2.919 ( 0.000 3.421 9.379) 9.984 2.996 ( 0.000 -4.892 6.361) 8.024 3.354 ( 0.000 5.466 9.543) 10.997 3.409 ( 0.000 0.340 7.569) 7.577 4.722 ( 0.000 -3.902 3.043) 4.948 4.739 ( 0.000 -5.445 2.768) 6.108 6.484 ( 0.000 4.964 12.187) 13.159 6.585 ( 0.000 -5.576 10.615) 11.990 6.824 ( 0.000 2.024 -0.417) 2.067 6.857 ( 0.000 -1.526 0.191) 1.538 7.499 ( 0.000 6.286 5.724) 8.502 7.649 ( 0.000 -9.668 3.229) 10.193 7.780 ( 0.000 2.814 -4.525) 5.329 7.842 ( 0.000 -3.765 -3.930) 5.443 8.776 ( 0.000 11.073 0.092) 11.073 8.819 ( 0.000 6.566 0.228) 6.570 9.140 ( 0.000 -5.961 0.728) 6.005 9.144 ( 0.000 -6.661 -0.482) 6.679 ======================= Grid point 352 (121/147) ======================= q-point: ( 0.08 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.272 0.346 6.428) 6.443 1.583 ( 1.149 -0.622 5.803) 5.949 1.822 ( -0.704 2.689 -1.088) 2.985 1.852 ( 1.013 0.001 2.854) 3.029 1.936 ( 1.288 3.376 -0.099) 3.615 1.993 ( 0.636 -1.759 1.134) 2.187 2.906 ( -1.391 3.830 8.077) 9.047 2.993 ( -0.461 -5.371 6.484) 8.432 3.314 ( -3.896 6.391 8.597) 11.399 3.387 ( -2.358 -0.636 7.771) 8.146 4.705 ( -1.631 -3.815 2.802) 5.007 4.722 ( -1.678 -5.321 2.702) 6.199 6.407 ( -7.564 5.023 12.154) 15.171 6.510 ( -7.235 -5.826 10.420) 13.959 6.807 ( -1.800 2.208 -1.069) 3.043 6.843 ( -1.667 -1.565 -0.444) 2.330 7.524 ( 2.302 5.579 5.528) 8.184 7.656 ( 0.614 -8.405 3.193) 9.012 7.802 ( 2.315 2.548 -4.349) 5.546 7.861 ( 1.848 -3.598 -3.912) 5.627 8.758 ( -1.655 11.826 1.107) 11.992 8.820 ( -0.155 6.217 -0.276) 6.225 9.115 ( -2.456 -6.452 0.504) 6.922 9.128 ( -1.816 -6.813 -0.771) 7.092 ======================= Grid point 353 (122/147) ======================= q-point: ( 0.17 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 1.352 1.827 4.162) 4.742 1.620 ( 2.692 -1.392 4.051) 5.059 1.802 ( -1.334 3.777 -2.862) 4.924 1.862 ( -0.419 -2.260 -2.355) 3.291 1.972 ( 2.590 3.120 2.217) 4.621 2.021 ( 2.381 -1.309 2.896) 3.971 2.863 ( -3.050 4.539 5.431) 7.707 2.969 ( -2.325 -6.374 6.134) 9.146 3.215 ( -5.896 7.880 6.819) 11.973 3.318 ( -4.718 -2.286 7.192) 8.900 4.661 ( -2.871 -3.722 2.131) 5.161 4.675 ( -3.088 -4.947 2.321) 6.276 6.220 ( -10.851 5.458 11.557) 16.766 6.334 ( -10.155 -6.541 9.471) 15.349 6.749 ( -4.230 2.290 -2.959) 5.647 6.786 ( -4.308 -1.517 -2.290) 5.109 7.579 ( 3.225 4.010 5.214) 7.326 7.672 ( 1.109 -5.859 3.288) 6.809 7.865 ( 3.865 1.867 -3.756) 5.704 7.908 ( 2.813 -2.708 -3.689) 5.371 8.719 ( -2.170 13.158 2.263) 13.526 8.808 ( -1.078 6.338 -0.605) 6.457 9.050 ( -4.035 -7.628 0.281) 8.634 9.075 ( -3.517 -7.692 -1.453) 8.582 ======================= Grid point 354 (123/147) ======================= q-point: ( 0.25 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 2.344 3.170 2.675) 4.764 1.678 ( 2.797 -2.050 3.236) 4.743 1.774 ( -1.205 3.014 -3.176) 4.542 1.835 ( -2.056 -3.361 -4.813) 6.220 2.037 ( 3.973 3.569 2.170) 5.764 2.081 ( 3.577 -0.600 2.014) 4.149 2.785 ( -5.032 4.786 3.080) 7.597 2.893 ( -5.650 -5.881 4.450) 9.290 3.102 ( -5.434 7.401 4.864) 10.390 3.212 ( -6.001 -3.336 5.305) 8.677 4.598 ( -3.481 -3.678 1.155) 5.194 4.609 ( -3.542 -4.602 1.234) 5.937 6.019 ( -9.101 5.986 9.105) 14.197 6.144 ( -8.770 -7.251 6.889) 13.302 6.640 ( -7.019 2.041 -5.335) 9.049 6.674 ( -7.249 -1.391 -4.428) 8.608 7.647 ( 3.881 2.522 5.038) 6.841 7.704 ( 2.287 -3.517 3.856) 5.698 7.942 ( 3.852 0.891 -2.789) 4.838 7.961 ( 2.391 -1.058 -2.896) 3.902 8.675 ( -2.378 14.277 2.455) 14.681 8.776 ( -2.294 8.055 -0.956) 8.430 8.967 ( -4.223 -9.971 0.207) 10.831 8.999 ( -4.169 -8.881 -1.625) 9.944 ======================= Grid point 355 (124/147) ======================= q-point: ( 0.33 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 1.331 3.167 2.523) 4.262 1.704 ( 0.093 -0.535 1.846) 1.924 1.776 ( 1.156 -0.495 -0.826) 1.505 1.795 ( -1.648 -2.001 -2.744) 3.775 2.120 ( 4.450 3.390 0.173) 5.597 2.151 ( 3.499 0.435 0.221) 3.533 2.676 ( -5.887 4.392 1.372) 7.472 2.763 ( -7.153 -3.487 1.461) 8.090 3.008 ( -4.336 4.594 3.014) 6.999 3.094 ( -5.973 -3.408 2.596) 7.351 4.534 ( -2.873 -3.489 -0.222) 4.525 4.546 ( -2.823 -4.630 -0.567) 5.452 5.891 ( -3.754 5.694 4.334) 8.081 6.012 ( -4.594 -7.179 2.558) 8.898 6.482 ( -9.106 1.714 -6.821) 11.506 6.511 ( -9.182 -1.385 -5.642) 10.865 7.728 ( 4.442 1.955 4.738) 6.782 7.765 ( 4.102 -1.993 4.488) 6.399 7.991 ( 0.587 0.903 -1.436) 1.795 8.003 ( 2.052 -0.516 -0.918) 2.306 8.630 ( -2.192 14.812 1.388) 15.038 8.721 ( -3.285 10.150 -1.614) 10.789 8.896 ( -3.024 -12.034 0.243) 12.410 8.923 ( -3.399 -10.009 -1.082) 10.626 ======================= Grid point 356 (125/147) ======================= q-point: ( 0.42 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.135 2.435 1.533) 2.880 1.706 ( -0.398 -1.041 0.933) 1.453 1.771 ( -0.030 0.267 1.603) 1.625 1.798 ( 0.162 -2.005 3.389) 3.941 2.201 ( 3.493 2.846 -1.690) 4.813 2.211 ( 2.553 1.849 -1.086) 3.334 2.577 ( -3.709 3.342 -0.180) 4.996 2.634 ( -5.805 -1.503 -1.072) 6.092 2.941 ( -2.261 1.961 1.000) 3.156 2.989 ( -4.500 -2.511 0.307) 5.162 4.494 ( -1.246 -3.564 -1.913) 4.233 4.503 ( -1.575 -4.492 -2.214) 5.250 5.877 ( 2.079 3.894 -1.585) 4.690 5.965 ( -0.691 -5.542 -2.761) 6.230 6.307 ( -8.067 1.517 -5.811) 10.058 6.336 ( -8.291 -1.647 -5.229) 9.939 7.818 ( 4.761 2.428 4.011) 6.682 7.857 ( 4.996 -1.542 4.195) 6.703 7.977 ( -1.949 2.248 1.003) 3.140 8.013 ( -1.234 -1.505 1.631) 2.539 8.600 ( -0.620 14.166 -0.525) 14.189 8.657 ( -3.043 11.215 -2.046) 11.800 8.853 ( -1.286 -12.117 0.055) 12.185 8.871 ( -1.991 -10.841 -0.362) 11.028 ======================= Grid point 357 (126/147) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -1.211 1.189 0.982) 1.961 1.685 ( 1.211 1.189 0.982) 1.961 1.786 ( -1.134 -1.507 4.490) 4.870 1.786 ( 1.134 -1.507 4.490) 4.870 2.239 ( -0.160 2.721 -1.940) 3.345 2.239 ( 0.160 2.721 -1.940) 3.345 2.555 ( -1.774 0.921 -1.460) 2.475 2.555 ( 1.774 0.921 -1.460) 2.475 2.931 ( -1.327 -0.572 -0.323) 1.481 2.931 ( 1.327 -0.572 -0.323) 1.481 4.485 ( -0.278 -4.012 -2.796) 4.898 4.485 ( 0.278 -4.012 -2.796) 4.898 5.940 ( -3.016 -0.449 -5.883) 6.626 5.940 ( 3.016 -0.449 -5.883) 6.626 6.228 ( -1.359 -0.585 -3.715) 3.999 6.228 ( 1.359 -0.585 -3.715) 3.999 7.903 ( -3.242 2.309 2.161) 4.529 7.903 ( 3.242 2.309 2.161) 4.529 7.961 ( -3.258 -1.180 4.161) 5.414 7.961 ( 3.258 -1.180 4.161) 5.414 8.610 ( -1.630 12.534 -1.839) 12.772 8.610 ( 1.630 12.534 -1.839) 12.772 8.846 ( -0.507 -11.484 -0.083) 11.496 8.846 ( 0.507 -11.484 -0.083) 11.496 ======================= Grid point 390 (127/147) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 0.000 2.441) 2.441 1.714 ( 0.000 0.000 -3.434) 3.434 1.727 ( 0.000 0.000 5.143) 5.143 1.789 ( 0.000 0.000 -0.345) 0.345 1.872 ( 0.000 0.000 3.428) 3.428 1.942 ( 0.000 0.000 -2.756) 2.756 3.090 ( 0.000 0.000 9.057) 9.057 3.204 ( 0.000 0.000 -2.666) 2.666 3.321 ( 0.000 0.000 2.968) 2.968 3.332 ( 0.000 0.000 1.694) 1.694 4.974 ( 0.000 0.000 1.943) 1.943 4.988 ( 0.000 0.000 0.606) 0.606 6.595 ( 0.000 0.000 8.803) 8.803 6.714 ( 0.000 0.000 -3.541) 3.541 6.859 ( 0.000 0.000 4.332) 4.332 6.901 ( 0.000 0.000 -0.230) 0.230 7.515 ( 0.000 0.000 5.761) 5.761 7.623 ( 0.000 0.000 -5.384) 5.384 7.913 ( 0.000 0.000 -1.074) 1.074 7.924 ( 0.000 0.000 -2.396) 2.396 8.466 ( 0.000 0.000 5.579) 5.579 8.552 ( 0.000 0.000 -3.128) 3.128 9.303 ( 0.000 0.000 -0.138) 0.138 9.304 ( 0.000 0.000 -0.399) 0.399 ======================= Grid point 391 (128/147) ======================= q-point: ( 0.08 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.581 0.000 1.767) 1.860 1.685 ( -1.779 0.000 -0.679) 1.904 1.728 ( -0.157 0.000 5.185) 5.187 1.815 ( 1.502 0.000 -3.918) 4.196 1.881 ( 0.957 0.000 3.950) 4.064 1.947 ( 0.454 0.000 -2.573) 2.613 3.045 ( -4.412 0.000 7.459) 8.666 3.137 ( -5.925 0.000 -2.019) 6.260 3.332 ( 0.210 0.000 2.651) 2.659 3.333 ( -0.067 0.000 2.287) 2.288 4.953 ( -2.166 0.000 1.868) 2.861 4.966 ( -2.241 0.000 0.614) 2.323 6.533 ( -6.268 0.000 9.873) 11.695 6.674 ( -4.040 0.000 -4.707) 6.203 6.800 ( -5.740 0.000 5.030) 7.632 6.861 ( -4.047 0.000 -1.359) 4.269 7.546 ( 2.891 0.000 5.494) 6.208 7.649 ( 2.552 0.000 -5.196) 5.789 7.911 ( -0.172 0.000 -1.405) 1.415 7.912 ( -1.094 0.000 -1.691) 2.014 8.461 ( -0.515 0.000 5.369) 5.393 8.546 ( -0.666 0.000 -3.235) 3.303 9.288 ( -1.497 0.000 -0.204) 1.511 9.288 ( -1.596 0.000 -0.349) 1.634 ======================= Grid point 392 (129/147) ======================= q-point: ( 0.17 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 237 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.391 0.000 2.107) 2.143 1.692 ( 2.998 0.000 0.255) 3.009 1.714 ( -1.275 0.000 5.060) 5.218 1.825 ( -0.540 0.000 -6.575) 6.597 1.910 ( 1.964 0.000 3.250) 3.798 1.958 ( 0.655 0.000 -2.135) 2.234 2.930 ( -7.123 0.000 4.727) 8.548 2.997 ( -8.204 0.000 -1.911) 8.423 3.310 ( -2.633 0.000 3.298) 4.220 3.318 ( -1.731 0.000 2.296) 2.875 4.894 ( -3.813 0.000 1.531) 4.109 4.904 ( -4.083 0.000 0.656) 4.136 6.366 ( -10.441 0.000 12.215) 16.069 6.561 ( -7.417 0.000 -7.682) 10.678 6.654 ( -8.931 0.000 6.163) 10.851 6.750 ( -7.212 0.000 -3.707) 8.109 7.615 ( 4.046 0.000 5.164) 6.560 7.715 ( 3.999 0.000 -5.108) 6.487 7.890 ( -0.910 0.000 -0.085) 0.914 7.910 ( 0.218 0.000 -1.997) 2.009 8.444 ( -1.371 0.000 4.866) 5.055 8.524 ( -1.607 0.000 -3.407) 3.767 9.246 ( -2.650 0.000 -0.196) 2.657 9.247 ( -2.568 0.000 -0.259) 2.581 ======================= Grid point 393 (130/147) ======================= q-point: ( 0.25 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -1.949 0.000 4.369) 4.784 1.698 ( 2.269 0.000 4.219) 4.790 1.773 ( 5.089 0.000 -0.949) 5.177 1.800 ( -1.612 0.000 -6.986) 7.169 1.953 ( 2.444 0.000 1.355) 2.794 1.972 ( 0.843 0.000 -1.712) 1.909 2.780 ( -8.076 0.000 2.463) 8.444 2.830 ( -8.776 0.000 -2.152) 9.036 3.230 ( -5.444 0.000 4.108) 6.820 3.261 ( -4.270 0.000 1.000) 4.385 4.811 ( -4.505 0.000 0.788) 4.573 4.814 ( -4.959 0.000 0.699) 5.008 6.151 ( -11.048 0.000 13.631) 17.547 6.394 ( -9.661 0.000 -10.777) 14.473 6.473 ( -9.281 0.000 6.366) 11.254 6.592 ( -8.855 0.000 -5.610) 10.483 7.695 ( 3.941 0.000 4.855) 6.253 7.793 ( 3.635 0.000 -5.293) 6.421 7.885 ( 0.583 0.000 1.740) 1.835 7.926 ( 1.664 0.000 -2.272) 2.816 8.406 ( -2.622 0.000 4.354) 5.083 8.482 ( -2.757 0.000 -3.538) 4.485 9.191 ( -2.833 0.000 0.044) 2.833 9.194 ( -2.813 0.000 -0.154) 2.817 ======================= Grid point 394 (131/147) ======================= q-point: ( 0.33 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 237 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -1.634 0.000 2.927) 3.352 1.712 ( -1.810 0.000 -2.027) 2.717 1.805 ( 2.961 0.000 1.794) 3.462 1.874 ( 4.927 0.000 -0.206) 4.931 1.992 ( 1.254 0.000 -2.116) 2.460 2.003 ( 2.651 0.000 -0.706) 2.744 2.630 ( -6.996 0.000 1.035) 7.072 2.668 ( -7.601 0.000 -2.273) 7.934 3.110 ( -6.508 0.000 4.019) 7.649 3.157 ( -6.197 0.000 -0.627) 6.229 4.722 ( -4.333 0.000 0.526) 4.365 4.727 ( -4.044 0.000 -0.164) 4.047 5.962 ( -7.905 0.000 11.818) 14.218 6.198 ( -10.271 0.000 -11.674) 15.549 6.311 ( -6.974 0.000 4.949) 8.552 6.421 ( -8.428 0.000 -5.957) 10.321 7.762 ( 2.920 0.000 3.995) 4.949 7.842 ( 1.394 0.000 -4.273) 4.494 7.918 ( 2.814 0.000 3.469) 4.466 7.981 ( 3.857 0.000 -2.771) 4.749 8.343 ( -3.726 0.000 3.910) 5.401 8.418 ( -3.779 0.000 -3.749) 5.323 9.141 ( -2.210 0.000 0.292) 2.229 9.144 ( -2.244 0.000 0.065) 2.245 ======================= Grid point 395 (132/147) ======================= q-point: ( 0.42 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -0.515 0.000 0.982) 1.109 1.664 ( -2.483 0.000 -3.149) 4.010 1.878 ( 3.875 0.000 5.715) 6.904 1.943 ( 1.666 0.000 4.048) 4.377 2.024 ( 2.098 0.000 -4.904) 5.334 2.048 ( 1.653 0.000 -2.844) 3.290 2.522 ( -3.874 0.000 0.424) 3.897 2.545 ( -4.830 0.000 -1.591) 5.085 3.000 ( -4.187 0.000 2.362) 4.807 3.038 ( -5.487 0.000 -1.305) 5.640 4.655 ( -2.326 0.000 -0.019) 2.326 4.662 ( -2.501 0.000 -0.759) 2.613 5.862 ( -2.111 0.000 5.989) 6.350 6.011 ( -8.564 0.000 -8.699) 12.207 6.214 ( -2.884 0.000 2.085) 3.559 6.279 ( -5.869 0.000 -4.402) 7.336 7.809 ( 1.992 0.000 2.415) 3.130 7.853 ( -0.125 0.000 -2.147) 2.151 7.988 ( 4.094 0.000 4.430) 6.033 8.055 ( 2.960 0.000 -1.752) 3.440 8.273 ( -2.845 0.000 2.282) 3.647 8.339 ( -4.198 0.000 -3.943) 5.759 9.108 ( -1.150 0.000 0.446) 1.233 9.110 ( -1.219 0.000 0.297) 1.255 ======================= Grid point 396 (133/147) ======================= q-point: (-0.50 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -1.091 0.000 -1.174) 1.603 1.628 ( 1.091 0.000 -1.174) 1.603 1.938 ( -1.949 0.000 5.979) 6.289 1.938 ( 1.949 0.000 5.979) 6.289 2.057 ( -0.796 0.000 -4.819) 4.884 2.057 ( 0.796 0.000 -4.819) 4.884 2.490 ( -0.676 0.000 -0.276) 0.730 2.490 ( 0.676 0.000 -0.276) 0.730 2.968 ( -1.137 0.000 -0.106) 1.142 2.968 ( 1.137 0.000 -0.106) 1.142 4.635 ( -0.205 0.000 -0.626) 0.659 4.635 ( 0.205 0.000 -0.626) 0.659 5.883 ( -4.140 0.000 -2.003) 4.599 5.883 ( 4.140 0.000 -2.003) 4.599 6.203 ( -1.774 0.000 -1.394) 2.256 6.203 ( 1.774 0.000 -1.394) 2.256 7.840 ( -1.182 0.000 0.232) 1.205 7.840 ( 1.182 0.000 0.232) 1.205 8.060 ( -2.591 0.000 3.198) 4.116 8.060 ( 2.591 0.000 3.198) 4.116 8.268 ( -2.509 0.000 -2.647) 3.647 8.268 ( 2.509 0.000 -2.647) 3.647 9.097 ( -0.040 0.000 0.447) 0.448 9.097 ( 0.040 0.000 0.447) 0.448 ======================= Grid point 403 (134/147) ======================= q-point: ( 0.00 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.000 1.012 3.616) 3.755 1.705 ( 0.000 -0.356 3.070) 3.091 1.753 ( 0.000 2.009 -1.126) 2.304 1.805 ( 0.000 0.974 -3.262) 3.404 1.903 ( 0.000 3.358 4.850) 5.899 1.969 ( 0.000 2.333 -1.968) 3.053 3.066 ( 0.000 -1.728 6.901) 7.114 3.140 ( 0.000 -4.451 -0.747) 4.513 3.380 ( 0.000 5.465 3.980) 6.761 3.411 ( 0.000 5.952 0.810) 6.007 4.896 ( 0.000 -7.357 1.822) 7.579 4.910 ( 0.000 -7.458 0.529) 7.477 6.622 ( 0.000 2.702 8.643) 9.056 6.735 ( 0.000 2.052 -2.934) 3.581 6.834 ( 0.000 -2.424 4.662) 5.255 6.886 ( 0.000 -1.526 -0.696) 1.678 7.534 ( 0.000 2.024 5.467) 5.830 7.638 ( 0.000 1.614 -5.333) 5.572 7.840 ( 0.000 -7.264 -0.148) 7.266 7.860 ( 0.000 -4.837 -2.164) 5.299 8.585 ( 0.000 10.728 3.526) 11.292 8.644 ( 0.000 8.630 -2.212) 8.909 9.256 ( 0.000 -4.957 -0.266) 4.964 9.256 ( 0.000 -4.781 -0.155) 4.783 ======================= Grid point 404 (135/147) ======================= q-point: ( 0.08 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.116 0.615 2.437) 2.516 1.686 ( -1.633 0.027 2.705) 3.160 1.742 ( -0.633 1.472 1.194) 1.998 1.817 ( 0.418 -0.206 -4.975) 4.996 1.913 ( 1.119 3.552 3.828) 5.341 1.984 ( 1.346 3.091 -0.960) 3.506 3.006 ( -4.961 -1.713 3.995) 6.596 3.165 ( 1.132 -2.638 1.655) 3.313 3.293 ( -6.506 4.643 2.202) 8.291 3.435 ( 0.074 4.860 2.474) 5.454 4.873 ( -2.261 -7.406 1.519) 7.891 4.891 ( -1.943 -7.184 0.753) 7.480 6.554 ( -6.755 2.173 9.043) 11.494 6.698 ( -4.068 1.921 -2.785) 5.291 6.768 ( -6.106 -2.578 3.849) 7.664 6.856 ( -3.363 -0.893 -0.998) 3.620 7.563 ( 2.749 1.836 5.257) 6.210 7.663 ( 2.412 1.471 -5.122) 5.850 7.829 ( -0.488 -6.102 -0.083) 6.122 7.874 ( 0.986 -4.529 -2.126) 5.099 8.573 ( -1.175 10.455 3.460) 11.075 8.639 ( -0.617 8.651 -2.195) 8.946 9.236 ( -1.850 -5.155 -0.394) 5.491 9.242 ( -1.609 -5.002 -0.069) 5.255 ======================= Grid point 405 (136/147) ======================= q-point: ( 0.17 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -0.612 -0.442 3.586) 3.665 1.685 ( 2.101 -0.607 0.627) 2.275 1.729 ( -0.781 1.150 1.669) 2.172 1.809 ( -1.230 -1.493 -6.040) 6.343 1.944 ( 1.975 3.783 2.092) 4.752 2.014 ( 1.669 4.356 0.020) 4.665 2.893 ( -6.442 -0.558 2.093) 6.797 3.119 ( -8.122 9.502 1.098) 12.548 3.189 ( -1.890 -7.289 2.587) 7.962 3.402 ( -3.440 3.194 2.728) 5.429 4.814 ( -3.774 -7.280 1.106) 8.275 4.835 ( -3.840 -6.787 0.840) 7.843 6.379 ( -10.786 1.493 10.380) 15.043 6.568 ( -9.226 -1.730 0.317) 9.392 6.630 ( -7.646 0.506 -1.038) 7.732 6.757 ( -6.684 -0.129 -2.484) 7.131 7.629 ( 3.879 1.437 4.964) 6.462 7.722 ( 3.357 0.580 -4.513) 5.654 7.834 ( 1.181 -3.703 0.430) 3.911 7.894 ( 1.102 -2.736 -2.481) 3.854 8.542 ( -2.012 9.874 3.341) 10.617 8.616 ( -1.789 8.560 -2.280) 9.037 9.188 ( -2.967 -5.698 -0.446) 6.440 9.198 ( -2.769 -5.462 0.025) 6.124 ======================= Grid point 406 (137/147) ======================= q-point: ( 0.25 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -0.076 -0.718 4.191) 4.253 1.720 ( 0.322 0.697 1.784) 1.942 1.745 ( 3.293 -2.327 -2.017) 4.509 1.779 ( -0.969 -1.723 -5.126) 5.494 1.988 ( 2.526 4.032 0.933) 4.849 2.046 ( 1.621 5.414 0.063) 5.651 2.762 ( -7.000 0.685 0.842) 7.083 2.930 ( -10.462 7.182 0.035) 12.690 3.145 ( -3.267 -5.098 2.586) 6.584 3.305 ( -6.381 1.353 2.194) 6.882 4.732 ( -4.462 -7.046 0.592) 8.361 4.749 ( -4.782 -6.513 0.641) 8.106 6.159 ( -11.246 1.093 11.029) 15.790 6.368 ( -10.784 -4.086 0.755) 11.557 6.471 ( -8.678 2.088 -4.344) 9.927 6.606 ( -8.648 0.300 -3.728) 9.422 7.706 ( 3.852 1.137 4.458) 6.001 7.784 ( 3.068 -0.897 -2.257) 3.913 7.880 ( 3.289 -0.202 -0.225) 3.303 7.919 ( 1.715 -0.909 -2.609) 3.251 8.496 ( -2.812 9.381 3.271) 10.325 8.567 ( -3.219 8.223 -2.597) 9.205 9.127 ( -3.188 -6.327 -0.319) 7.092 9.141 ( -2.936 -5.923 0.184) 6.613 ======================= Grid point 407 (138/147) ======================= q-point: ( 0.33 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -1.034 0.552 1.212) 1.686 1.721 ( -1.613 0.297 -1.859) 2.479 1.770 ( 3.105 -2.383 1.274) 4.116 1.841 ( 4.415 -2.879 -0.617) 5.306 2.039 ( 2.683 4.322 -0.020) 5.087 2.077 ( 1.574 5.910 -0.719) 6.158 2.630 ( -6.319 1.216 0.195) 6.438 2.733 ( -9.538 4.898 -1.057) 10.774 3.064 ( -4.830 -3.262 2.327) 6.276 3.165 ( -7.633 -0.208 0.834) 7.681 4.648 ( -4.040 -6.781 0.181) 7.896 4.659 ( -4.230 -6.476 -0.050) 7.735 5.966 ( -8.091 0.764 8.996) 12.123 6.165 ( -9.905 -4.047 -2.565) 11.003 6.309 ( -7.489 1.472 -3.433) 8.369 6.434 ( -8.700 0.217 -3.773) 9.486 7.773 ( 3.122 1.297 3.245) 4.686 7.847 ( 3.338 -0.035 -0.353) 3.357 7.928 ( 1.747 1.162 0.157) 2.104 7.979 ( 4.184 -0.258 -2.205) 4.736 8.433 ( -3.580 9.294 3.108) 10.434 8.495 ( -4.031 7.869 -3.089) 9.366 9.071 ( -2.451 -6.896 -0.088) 7.320 9.089 ( -2.384 -6.247 0.357) 6.696 ======================= Grid point 408 (139/147) ======================= q-point: ( 0.42 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.059 1.364 -0.277) 1.393 1.684 ( -1.996 1.589 -1.502) 2.960 1.847 ( 4.114 -2.364 3.679) 6.004 1.908 ( 1.989 -3.086 1.754) 4.069 2.086 ( 2.032 4.841 -1.484) 5.456 2.105 ( 1.182 5.431 -1.986) 5.902 2.530 ( -3.673 1.037 -0.021) 3.816 2.577 ( -6.215 2.618 -1.505) 6.910 2.977 ( -3.453 -1.893 1.483) 4.207 3.028 ( -6.018 -1.125 -0.401) 6.136 4.585 ( -2.259 -6.594 -0.256) 6.975 4.592 ( -2.544 -6.554 -0.766) 7.072 5.862 ( -2.401 0.246 3.928) 4.611 5.991 ( -7.843 -2.361 -4.922) 9.556 6.202 ( -3.082 -0.078 -1.196) 3.307 6.283 ( -6.519 -0.309 -2.646) 7.043 7.829 ( 2.629 2.118 1.923) 3.885 7.888 ( 0.403 2.705 -0.987) 2.908 7.978 ( 3.658 -0.561 2.892) 4.697 8.049 ( 2.268 -0.840 -0.713) 2.522 8.368 ( -2.501 9.660 1.507) 10.091 8.418 ( -3.777 8.204 -3.025) 9.525 9.036 ( -1.052 -7.173 0.158) 7.252 9.050 ( -1.547 -6.601 0.428) 6.793 ======================= Grid point 409 (140/147) ======================= q-point: (-0.50 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -1.484 2.025 -0.714) 2.610 1.649 ( 1.484 2.025 -0.714) 2.610 1.909 ( -1.855 -2.563 3.686) 4.858 1.909 ( 1.855 -2.563 3.686) 4.858 2.113 ( -0.544 5.029 -2.571) 5.675 2.113 ( 0.544 5.029 -2.571) 5.675 2.503 ( -1.192 1.177 -0.706) 1.818 2.503 ( 1.193 1.177 -0.706) 1.818 2.953 ( -1.332 -1.399 -0.013) 1.932 2.953 ( 1.332 -1.399 -0.013) 1.932 4.565 ( -0.213 -6.566 -0.769) 6.614 4.565 ( 0.213 -6.566 -0.769) 6.614 5.876 ( -3.641 -0.726 -2.003) 4.219 5.876 ( 3.641 -0.726 -2.003) 4.219 6.195 ( -2.290 -0.710 -1.257) 2.707 6.195 ( 2.290 -0.710 -1.257) 2.707 7.872 ( -1.726 2.956 0.356) 3.442 7.872 ( 1.726 2.956 0.356) 3.442 8.046 ( -2.489 -1.269 2.235) 3.578 8.046 ( 2.489 -1.269 2.235) 3.578 8.360 ( -1.741 9.328 -1.648) 9.631 8.360 ( 1.741 9.328 -1.648) 9.631 9.031 ( -0.414 -7.007 0.352) 7.028 9.031 ( 0.414 -7.007 0.352) 7.028 ======================= Grid point 416 (141/147) ======================= q-point: ( 0.00 0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.000 0.977 5.234) 5.324 1.700 ( 0.000 -0.384 5.404) 5.417 1.790 ( 0.000 1.723 -3.479) 3.882 1.810 ( 0.000 -0.402 -4.284) 4.302 1.974 ( 0.000 3.240 3.178) 4.539 2.001 ( 0.000 0.451 0.253) 0.517 3.048 ( 0.000 0.012 3.861) 3.861 3.072 ( 0.000 -2.581 1.343) 2.909 3.484 ( 0.000 4.318 3.764) 5.728 3.502 ( 0.000 2.654 1.903) 3.265 4.764 ( 0.000 -4.718 1.303) 4.895 4.771 ( 0.000 -5.355 0.617) 5.391 6.686 ( 0.000 3.853 7.971) 8.854 6.753 ( 0.000 -2.364 5.027) 5.555 6.804 ( 0.000 1.368 -1.121) 1.769 6.848 ( 0.000 -2.466 -1.732) 3.014 7.594 ( 0.000 4.483 4.453) 6.319 7.683 ( 0.000 2.614 -4.357) 5.081 7.703 ( 0.000 -6.141 2.023) 6.466 7.763 ( 0.000 -4.939 -3.814) 6.241 8.791 ( 0.000 9.248 1.218) 9.328 8.813 ( 0.000 7.243 -0.814) 7.288 9.140 ( 0.000 -5.920 0.050) 5.920 9.144 ( 0.000 -5.945 -0.192) 5.948 ======================= Grid point 417 (142/147) ======================= q-point: ( 0.08 0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -0.747 0.586 3.954) 4.066 1.684 ( -1.358 -0.185 4.794) 4.986 1.775 ( -1.170 1.815 -2.711) 3.466 1.804 ( -0.838 -1.191 -4.492) 4.722 1.989 ( 1.534 3.701 2.454) 4.698 2.024 ( 1.983 0.384 1.064) 2.283 3.010 ( -3.129 2.175 2.626) 4.628 3.078 ( -0.206 -4.814 2.211) 5.302 3.424 ( -5.048 6.710 2.785) 8.847 3.490 ( -2.148 0.190 2.666) 3.429 4.744 ( -1.998 -4.402 1.066) 4.951 4.756 ( -1.702 -5.423 0.778) 5.737 6.609 ( -7.375 3.541 7.573) 11.149 6.679 ( -7.253 -3.624 5.768) 9.950 6.773 ( -3.116 2.765 -2.304) 4.760 6.824 ( -2.860 -2.399 -1.520) 4.031 7.616 ( 2.094 3.894 4.314) 6.177 7.693 ( 0.722 -1.002 -1.461) 1.913 7.725 ( 2.595 -1.784 -0.797) 3.249 7.783 ( 1.901 -4.584 -3.653) 6.162 8.783 ( -0.837 9.868 1.374) 9.998 8.810 ( -0.430 7.492 -0.831) 7.550 9.115 ( -2.475 -6.379 -0.114) 6.843 9.121 ( -2.347 -6.576 -0.171) 6.984 ======================= Grid point 418 (143/147) ======================= q-point: ( 0.17 0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.678 0.446 3.269) 3.369 1.673 ( 0.524 -0.723 1.690) 1.911 1.751 ( -1.312 1.274 -1.811) 2.574 1.778 ( -1.719 -1.646 -4.409) 5.010 2.027 ( 2.261 4.184 1.852) 5.104 2.067 ( 2.394 0.470 1.445) 2.836 2.933 ( -4.818 4.625 1.745) 6.903 3.049 ( -3.097 -7.319 2.074) 8.214 3.303 ( -7.098 8.995 2.210) 11.669 3.415 ( -5.452 -2.432 2.583) 6.505 4.690 ( -3.487 -4.008 0.784) 5.371 4.705 ( -3.488 -5.279 0.731) 6.370 6.424 ( -11.128 3.303 7.883) 14.031 6.497 ( -10.904 -4.347 5.901) 13.139 6.680 ( -6.488 3.302 -3.689) 8.161 6.734 ( -6.365 -2.272 -2.648) 7.259 7.667 ( 3.074 2.548 4.020) 5.666 7.715 ( 1.689 -1.980 0.464) 2.644 7.795 ( 4.288 0.389 -2.187) 4.829 7.833 ( 3.141 -3.089 -3.392) 5.560 8.759 ( -1.649 11.354 1.689) 11.597 8.793 ( -1.359 8.596 -0.967) 8.757 9.050 ( -4.023 -7.930 -0.200) 8.894 9.058 ( -3.838 -8.197 -0.268) 9.055 ======================= Grid point 419 (144/147) ======================= q-point: ( 0.25 0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 1.049 1.372 2.013) 2.652 1.700 ( 1.745 -2.107 -0.607) 2.803 1.729 ( -0.404 0.352 -1.111) 1.233 1.746 ( -1.098 -1.560 -3.364) 3.867 2.075 ( 2.598 4.319 1.213) 5.184 2.114 ( 2.340 0.840 1.048) 2.698 2.823 ( -6.485 5.667 0.934) 8.662 2.946 ( -7.630 -6.131 1.262) 9.869 3.168 ( -6.451 7.493 1.743) 10.040 3.286 ( -7.606 -3.798 2.035) 8.742 4.613 ( -4.304 -3.885 0.379) 5.811 4.625 ( -4.509 -4.944 0.422) 6.705 6.199 ( -11.469 3.251 7.579) 14.126 6.277 ( -11.344 -4.852 5.084) 13.344 6.530 ( -8.687 3.457 -5.034) 10.618 6.586 ( -8.620 -2.307 -3.761) 9.684 7.733 ( 3.636 1.611 3.559) 5.337 7.762 ( 3.135 -1.427 1.648) 3.818 7.883 ( 4.541 0.502 -2.319) 5.123 7.898 ( 3.426 -1.093 -2.905) 4.623 8.718 ( -2.630 12.918 1.875) 13.316 8.753 ( -2.826 10.567 -1.354) 11.022 8.968 ( -4.188 -10.064 -0.185) 10.902 8.982 ( -3.785 -10.320 -0.131) 10.993 ======================= Grid point 420 (145/147) ======================= q-point: ( 0.33 0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 391 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -0.374 2.292 -0.656) 2.413 1.714 ( -0.304 -1.546 -0.236) 1.593 1.743 ( 2.840 0.388 -0.343) 2.887 1.782 ( 3.629 -3.142 -0.698) 4.851 2.126 ( 2.637 4.082 0.345) 4.872 2.157 ( 2.089 1.482 0.284) 2.577 2.688 ( -7.141 4.791 0.201) 8.602 2.772 ( -9.563 -2.320 -0.067) 9.841 3.053 ( -5.503 3.245 1.314) 6.522 3.132 ( -7.911 -3.515 1.112) 8.727 4.531 ( -3.945 -3.947 -0.114) 5.581 4.539 ( -4.147 -4.656 -0.154) 6.237 6.001 ( -8.571 2.979 5.256) 10.487 6.075 ( -9.116 -4.801 2.496) 10.601 6.358 ( -8.500 3.184 -4.726) 10.233 6.413 ( -8.849 -2.343 -3.639) 9.851 7.805 ( 3.790 1.847 2.794) 5.058 7.835 ( 4.220 -1.209 2.264) 4.939 7.952 ( 2.480 1.175 -1.700) 3.229 7.970 ( 3.765 -0.732 -1.848) 4.257 8.658 ( -3.487 13.515 1.453) 14.033 8.688 ( -3.584 12.088 -1.573) 12.706 8.896 ( -3.089 -11.451 -0.147) 11.862 8.918 ( -2.774 -11.544 0.195) 11.874 ======================= Grid point 421 (146/147) ======================= q-point: ( 0.42 0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.571 2.644 -0.420) 2.737 1.705 ( -0.537 0.011 -0.288) 0.609 1.812 ( 3.529 -0.482 1.848) 4.012 1.845 ( 2.343 -3.251 0.822) 4.091 2.174 ( 2.196 3.769 -0.678) 4.415 2.192 ( 1.424 2.361 -0.599) 2.822 2.564 ( -4.987 2.626 -0.566) 5.665 2.604 ( -7.083 -0.580 -1.275) 7.220 2.961 ( -3.643 0.795 0.703) 3.794 2.996 ( -5.653 -2.192 0.225) 6.068 4.469 ( -2.277 -4.069 -0.642) 4.707 4.473 ( -2.486 -4.465 -0.791) 5.171 5.881 ( -3.548 1.924 1.196) 4.209 5.932 ( -5.515 -3.338 -1.063) 6.533 6.222 ( -4.966 1.890 -2.457) 5.854 6.260 ( -6.393 -1.923 -2.202) 7.030 7.876 ( 3.389 2.570 1.792) 4.616 7.911 ( 3.084 -0.740 1.226) 3.400 7.987 ( 1.353 1.694 0.401) 2.205 8.023 ( 1.379 -1.814 -0.234) 2.291 8.597 ( -2.253 13.581 0.250) 13.768 8.623 ( -2.969 12.670 -1.244) 13.072 8.854 ( -1.229 -11.786 -0.016) 11.850 8.873 ( -1.858 -11.759 0.255) 11.907 ======================= Grid point 422 (147/147) ======================= q-point: (-0.50 0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -0.973 1.861 -0.104) 2.102 1.691 ( 0.973 1.861 -0.104) 2.103 1.859 ( -0.972 -2.099 2.368) 3.310 1.859 ( 0.972 -2.099 2.368) 3.310 2.203 ( -0.533 3.351 -1.204) 3.600 2.203 ( 0.533 3.351 -1.204) 3.600 2.521 ( -1.054 0.483 -1.356) 1.784 2.521 ( 1.054 0.483 -1.356) 1.784 2.930 ( -0.855 -0.713 0.091) 1.117 2.930 ( 0.855 -0.713 0.091) 1.117 4.447 ( -0.122 -4.262 -0.996) 4.378 4.447 ( 0.122 -4.262 -0.996) 4.378 5.863 ( -1.507 -0.431 -2.006) 2.546 5.863 ( 1.507 -0.431 -2.006) 2.546 6.183 ( -1.150 -0.386 -1.043) 1.600 6.183 ( 1.150 -0.386 -1.043) 1.600 7.927 ( -1.432 2.220 0.463) 2.682 7.927 ( 1.432 2.220 0.463) 2.682 8.019 ( -1.576 -1.345 1.567) 2.598 8.019 ( 1.576 -1.346 1.567) 2.598 8.583 ( -0.854 13.270 -0.762) 13.320 8.583 ( 0.854 13.270 -0.762) 13.320 8.848 ( -0.613 -11.803 0.132) 11.820 8.848 ( 0.613 -11.803 0.132) 11.820 =================== 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 3/18720 10.0 248.773 395.627 386.468 0.000 0.000 0.000 3/18720 20.0 64.506 92.071 124.357 0.000 0.000 0.000 3/18720 30.0 33.448 49.073 70.560 0.000 0.000 0.000 3/18720 40.0 22.449 33.697 48.821 0.000 0.000 0.000 3/18720 50.0 16.730 25.241 36.523 0.000 0.000 0.000 3/18720 60.0 13.209 19.838 28.666 0.000 0.000 0.000 3/18720 70.0 10.847 16.163 23.333 0.000 0.000 0.000 3/18720 80.0 9.173 13.556 19.552 0.000 0.000 0.000 3/18720 90.0 7.935 11.642 16.772 0.000 0.000 0.000 3/18720 100.0 6.989 10.190 14.662 0.000 0.000 0.000 3/18720 110.0 6.244 9.059 13.015 0.000 0.000 0.000 3/18720 120.0 5.643 8.156 11.700 0.000 0.000 0.000 3/18720 130.0 5.150 7.420 10.627 0.000 0.000 0.000 3/18720 140.0 4.737 6.808 9.736 0.000 0.000 0.000 3/18720 150.0 4.387 6.293 8.986 0.000 0.000 0.000 3/18720 160.0 4.086 5.852 8.345 0.000 0.000 0.000 3/18720 170.0 3.824 5.470 7.791 0.000 0.000 0.000 3/18720 180.0 3.595 5.137 7.308 0.000 0.000 0.000 3/18720 190.0 3.392 4.843 6.882 0.000 0.000 0.000 3/18720 200.0 3.211 4.582 6.504 0.000 0.000 0.000 3/18720 210.0 3.049 4.348 6.167 0.000 0.000 0.000 3/18720 220.0 2.903 4.138 5.864 0.000 0.000 0.000 3/18720 230.0 2.770 3.948 5.590 0.000 0.000 0.000 3/18720 240.0 2.650 3.774 5.340 0.000 0.000 0.000 3/18720 250.0 2.539 3.616 5.113 0.000 0.000 0.000 3/18720 260.0 2.438 3.471 4.905 0.000 0.000 0.000 3/18720 270.0 2.344 3.337 4.713 0.000 0.000 0.000 3/18720 280.0 2.258 3.213 4.536 0.000 0.000 0.000 3/18720 290.0 2.177 3.098 4.372 0.000 0.000 0.000 3/18720 300.0 2.103 2.992 4.219 0.000 0.000 0.000 3/18720 310.0 2.033 2.892 4.077 0.000 0.000 0.000 3/18720 320.0 1.968 2.799 3.945 0.000 0.000 0.000 3/18720 330.0 1.907 2.712 3.821 0.000 0.000 0.000 3/18720 340.0 1.849 2.630 3.704 0.000 0.000 0.000 3/18720 350.0 1.795 2.553 3.595 0.000 0.000 0.000 3/18720 360.0 1.744 2.481 3.492 0.000 0.000 0.000 3/18720 370.0 1.696 2.412 3.395 0.000 0.000 0.000 3/18720 380.0 1.651 2.348 3.303 0.000 0.000 0.000 3/18720 390.0 1.608 2.286 3.216 0.000 0.000 0.000 3/18720 400.0 1.567 2.228 3.133 0.000 0.000 0.000 3/18720 410.0 1.528 2.173 3.055 0.000 0.000 0.000 3/18720 420.0 1.491 2.120 2.981 0.000 0.000 0.000 3/18720 430.0 1.456 2.070 2.910 0.000 0.000 0.000 3/18720 440.0 1.423 2.023 2.842 0.000 0.000 0.000 3/18720 450.0 1.391 1.977 2.778 0.000 0.000 0.000 3/18720 460.0 1.360 1.933 2.716 0.000 0.000 0.000 3/18720 470.0 1.331 1.892 2.657 0.000 0.000 0.000 3/18720 480.0 1.303 1.852 2.601 0.000 0.000 0.000 3/18720 490.0 1.276 1.814 2.547 0.000 0.000 0.000 3/18720 500.0 1.250 1.777 2.495 0.000 0.000 0.000 3/18720 510.0 1.225 1.742 2.446 0.000 0.000 0.000 3/18720 520.0 1.201 1.708 2.398 0.000 0.000 0.000 3/18720 530.0 1.179 1.676 2.352 0.000 0.000 0.000 3/18720 540.0 1.157 1.644 2.308 0.000 0.000 0.000 3/18720 550.0 1.135 1.614 2.265 0.000 0.000 0.000 3/18720 560.0 1.115 1.585 2.224 0.000 0.000 0.000 3/18720 570.0 1.095 1.557 2.185 0.000 0.000 0.000 3/18720 580.0 1.076 1.530 2.147 0.000 0.000 0.000 3/18720 590.0 1.058 1.504 2.110 0.000 0.000 0.000 3/18720 600.0 1.040 1.479 2.074 0.000 0.000 0.000 3/18720 610.0 1.023 1.454 2.040 0.000 0.000 0.000 3/18720 620.0 1.006 1.431 2.007 0.000 0.000 0.000 3/18720 630.0 0.990 1.408 1.975 0.000 0.000 0.000 3/18720 640.0 0.975 1.386 1.943 0.000 0.000 0.000 3/18720 650.0 0.960 1.364 1.913 0.000 0.000 0.000 3/18720 660.0 0.945 1.343 1.884 0.000 0.000 0.000 3/18720 670.0 0.931 1.323 1.856 0.000 0.000 0.000 3/18720 680.0 0.917 1.304 1.828 0.000 0.000 0.000 3/18720 690.0 0.904 1.285 1.801 0.000 0.000 0.000 3/18720 700.0 0.891 1.266 1.775 0.000 0.000 0.000 3/18720 710.0 0.878 1.248 1.750 0.000 0.000 0.000 3/18720 720.0 0.866 1.231 1.726 0.000 0.000 0.000 3/18720 730.0 0.854 1.214 1.702 0.000 0.000 0.000 3/18720 740.0 0.842 1.198 1.679 0.000 0.000 0.000 3/18720 750.0 0.831 1.181 1.656 0.000 0.000 0.000 3/18720 760.0 0.820 1.166 1.634 0.000 0.000 0.000 3/18720 770.0 0.809 1.151 1.613 0.000 0.000 0.000 3/18720 780.0 0.799 1.136 1.592 0.000 0.000 0.000 3/18720 790.0 0.789 1.121 1.572 0.000 0.000 0.000 3/18720 800.0 0.779 1.107 1.552 0.000 0.000 0.000 3/18720 810.0 0.769 1.094 1.533 0.000 0.000 0.000 3/18720 820.0 0.760 1.080 1.514 0.000 0.000 0.000 3/18720 830.0 0.751 1.067 1.496 0.000 0.000 0.000 3/18720 840.0 0.742 1.054 1.478 0.000 0.000 0.000 3/18720 850.0 0.733 1.042 1.460 0.000 0.000 0.000 3/18720 860.0 0.724 1.030 1.443 0.000 0.000 0.000 3/18720 870.0 0.716 1.018 1.426 0.000 0.000 0.000 3/18720 880.0 0.708 1.006 1.410 0.000 0.000 0.000 3/18720 890.0 0.700 0.995 1.394 0.000 0.000 0.000 3/18720 900.0 0.692 0.984 1.379 0.000 0.000 0.000 3/18720 910.0 0.685 0.973 1.363 0.000 0.000 0.000 3/18720 920.0 0.677 0.963 1.349 0.000 0.000 0.000 3/18720 930.0 0.670 0.952 1.334 0.000 0.000 0.000 3/18720 940.0 0.663 0.942 1.320 0.000 0.000 0.000 3/18720 950.0 0.656 0.932 1.306 0.000 0.000 0.000 3/18720 960.0 0.649 0.922 1.292 0.000 0.000 0.000 3/18720 970.0 0.642 0.913 1.279 0.000 0.000 0.000 3/18720 980.0 0.636 0.903 1.266 0.000 0.000 0.000 3/18720 990.0 0.629 0.894 1.253 0.000 0.000 0.000 3/18720 1000.0 0.623 0.885 1.240 0.000 0.000 0.000 3/18720 Thermal conductivity related properties were written into "kappa-m12513.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:48:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|