----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:05:49]------------------------- 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: [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.935722929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.829589850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.104056599999999 Atomic positions (fractional): *1 S 0.29267892557900 0.75000000000000 0.76012311230216 32.065 2 S 0.70732107442100 0.25000000000000 0.23987688769784 32.065 3 S 0.20732107442100 0.25000000000000 0.26012311230216 32.065 4 S 0.79267892557900 0.75000000000000 0.73987688769784 32.065 *5 S 0.45719428260644 0.75000000000000 0.24424714770468 32.065 6 S 0.95719428260644 0.75000000000000 0.25575285229532 32.065 7 S 0.04280571739357 0.25000000000000 0.74424714770468 32.065 8 S 0.54280571739356 0.25000000000000 0.75575285229532 32.065 *9 Cu 0.45625494323567 0.75000000000000 0.62588421006514 63.546 10 Cu 0.04374505676433 0.25000000000000 0.12588421006514 63.546 11 Cu 0.54374505676433 0.25000000000000 0.37411578993486 63.546 12 Cu 0.95625494323567 0.75000000000000 0.87411578993486 63.546 *13 Lu 0.63245453882737 0.75000000000000 0.00562789930334 174.967 14 Lu 0.36754546117263 0.25000000000000 0.99437210069666 174.967 15 Lu 0.86754546117263 0.25000000000000 0.50562789930334 174.967 16 Lu 0.13245453882737 0.75000000000000 0.49437210069666 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.935722929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.829589850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.104056599999999 Atomic positions (fractional): *1 S 0.29267892557900 0.75000000000000 0.76012311230216 32.065 > 1 2 S 0.70732107442100 0.25000000000000 0.23987688769784 32.065 > 2 3 S 0.20732107442100 0.25000000000000 0.26012311230216 32.065 > 3 4 S 0.79267892557900 0.75000000000000 0.73987688769784 32.065 > 4 *5 S 0.45719428260644 0.75000000000000 0.24424714770468 32.065 > 5 6 S 0.95719428260644 0.75000000000000 0.25575285229532 32.065 > 6 7 S 0.04280571739357 0.25000000000000 0.74424714770468 32.065 > 7 8 S 0.54280571739356 0.25000000000000 0.75575285229532 32.065 > 8 *9 Cu 0.45625494323567 0.75000000000000 0.62588421006514 63.546 > 9 10 Cu 0.04374505676433 0.25000000000000 0.12588421006514 63.546 > 10 11 Cu 0.54374505676433 0.25000000000000 0.37411578993486 63.546 > 11 12 Cu 0.95625494323567 0.75000000000000 0.87411578993486 63.546 > 12 *13 Lu 0.63245453882737 0.75000000000000 0.00562789930334 174.967 > 13 14 Lu 0.36754546117263 0.25000000000000 0.99437210069666 174.967 > 14 15 Lu 0.86754546117263 0.25000000000000 0.50562789930334 174.967 > 15 16 Lu 0.13245453882737 0.75000000000000 0.49437210069666 174.967 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.935722929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.318359400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.208113199999998 Atomic positions (fractional): *1 S 0.29267892557900 0.18750000000000 0.38006155615108 32.065 > 1 2 S 0.29267892557900 0.43750000000000 0.38006155615108 32.065 > 1 3 S 0.29267892557900 0.68750000000000 0.38006155615108 32.065 > 1 4 S 0.29267892557900 0.93750000000000 0.38006155615108 32.065 > 1 5 S 0.29267892557900 0.18750000000000 0.88006155615108 32.065 > 1 6 S 0.29267892557900 0.43750000000000 0.88006155615108 32.065 > 1 7 S 0.29267892557900 0.68750000000000 0.88006155615108 32.065 > 1 8 S 0.29267892557900 0.93750000000000 0.88006155615108 32.065 > 1 9 S 0.70732107442100 0.06250000000000 0.11993844384892 32.065 > 2 10 S 0.70732107442100 0.31250000000000 0.11993844384892 32.065 > 2 11 S 0.70732107442100 0.56250000000000 0.11993844384892 32.065 > 2 12 S 0.70732107442100 0.81250000000000 0.11993844384892 32.065 > 2 13 S 0.70732107442100 0.06250000000000 0.61993844384892 32.065 > 2 14 S 0.70732107442100 0.31250000000000 0.61993844384892 32.065 > 2 15 S 0.70732107442100 0.56250000000000 0.61993844384892 32.065 > 2 16 S 0.70732107442100 0.81250000000000 0.61993844384892 32.065 > 2 17 S 0.20732107442100 0.06250000000000 0.13006155615108 32.065 > 3 18 S 0.20732107442100 0.31250000000000 0.13006155615108 32.065 > 3 19 S 0.20732107442100 0.56250000000000 0.13006155615108 32.065 > 3 20 S 0.20732107442100 0.81250000000000 0.13006155615108 32.065 > 3 21 S 0.20732107442100 0.06250000000000 0.63006155615108 32.065 > 3 22 S 0.20732107442100 0.31250000000000 0.63006155615108 32.065 > 3 23 S 0.20732107442100 0.56250000000000 0.63006155615108 32.065 > 3 24 S 0.20732107442100 0.81250000000000 0.63006155615108 32.065 > 3 25 S 0.79267892557900 0.18750000000000 0.36993844384892 32.065 > 4 26 S 0.79267892557900 0.43750000000000 0.36993844384892 32.065 > 4 27 S 0.79267892557900 0.68750000000000 0.36993844384892 32.065 > 4 28 S 0.79267892557900 0.93750000000000 0.36993844384892 32.065 > 4 29 S 0.79267892557900 0.18750000000000 0.86993844384892 32.065 > 4 30 S 0.79267892557900 0.43750000000000 0.86993844384892 32.065 > 4 31 S 0.79267892557900 0.68750000000000 0.86993844384892 32.065 > 4 32 S 0.79267892557900 0.93750000000000 0.86993844384892 32.065 > 4 *33 S 0.45719428260644 0.18750000000000 0.12212357385234 32.065 > 5 34 S 0.45719428260644 0.43750000000000 0.12212357385234 32.065 > 5 35 S 0.45719428260644 0.68750000000000 0.12212357385234 32.065 > 5 36 S 0.45719428260644 0.93750000000000 0.12212357385234 32.065 > 5 37 S 0.45719428260644 0.18750000000000 0.62212357385234 32.065 > 5 38 S 0.45719428260644 0.43750000000000 0.62212357385234 32.065 > 5 39 S 0.45719428260644 0.68750000000000 0.62212357385234 32.065 > 5 40 S 0.45719428260644 0.93750000000000 0.62212357385234 32.065 > 5 41 S 0.95719428260644 0.18750000000000 0.12787642614766 32.065 > 6 42 S 0.95719428260644 0.43750000000000 0.12787642614766 32.065 > 6 43 S 0.95719428260644 0.68750000000000 0.12787642614766 32.065 > 6 44 S 0.95719428260644 0.93750000000000 0.12787642614766 32.065 > 6 45 S 0.95719428260644 0.18750000000000 0.62787642614766 32.065 > 6 46 S 0.95719428260644 0.43750000000000 0.62787642614766 32.065 > 6 47 S 0.95719428260644 0.68750000000000 0.62787642614766 32.065 > 6 48 S 0.95719428260644 0.93750000000000 0.62787642614766 32.065 > 6 49 S 0.04280571739357 0.06250000000000 0.37212357385234 32.065 > 7 50 S 0.04280571739357 0.31250000000000 0.37212357385234 32.065 > 7 51 S 0.04280571739357 0.56250000000000 0.37212357385234 32.065 > 7 52 S 0.04280571739357 0.81250000000000 0.37212357385234 32.065 > 7 53 S 0.04280571739357 0.06250000000000 0.87212357385234 32.065 > 7 54 S 0.04280571739357 0.31250000000000 0.87212357385234 32.065 > 7 55 S 0.04280571739357 0.56250000000000 0.87212357385234 32.065 > 7 56 S 0.04280571739357 0.81250000000000 0.87212357385234 32.065 > 7 57 S 0.54280571739356 0.06250000000000 0.37787642614766 32.065 > 8 58 S 0.54280571739356 0.31250000000000 0.37787642614766 32.065 > 8 59 S 0.54280571739356 0.56250000000000 0.37787642614766 32.065 > 8 60 S 0.54280571739356 0.81250000000000 0.37787642614766 32.065 > 8 61 S 0.54280571739356 0.06250000000000 0.87787642614766 32.065 > 8 62 S 0.54280571739356 0.31250000000000 0.87787642614766 32.065 > 8 63 S 0.54280571739356 0.56250000000000 0.87787642614766 32.065 > 8 64 S 0.54280571739356 0.81250000000000 0.87787642614766 32.065 > 8 *65 Cu 0.45625494323567 0.18750000000000 0.31294210503257 63.546 > 9 66 Cu 0.45625494323567 0.43750000000000 0.31294210503257 63.546 > 9 67 Cu 0.45625494323567 0.68750000000000 0.31294210503257 63.546 > 9 68 Cu 0.45625494323567 0.93750000000000 0.31294210503257 63.546 > 9 69 Cu 0.45625494323567 0.18750000000000 0.81294210503257 63.546 > 9 70 Cu 0.45625494323567 0.43750000000000 0.81294210503257 63.546 > 9 71 Cu 0.45625494323567 0.68750000000000 0.81294210503257 63.546 > 9 72 Cu 0.45625494323567 0.93750000000000 0.81294210503257 63.546 > 9 73 Cu 0.04374505676433 0.06250000000000 0.06294210503257 63.546 > 10 74 Cu 0.04374505676433 0.31250000000000 0.06294210503257 63.546 > 10 75 Cu 0.04374505676433 0.56250000000000 0.06294210503257 63.546 > 10 76 Cu 0.04374505676433 0.81250000000000 0.06294210503257 63.546 > 10 77 Cu 0.04374505676433 0.06250000000000 0.56294210503257 63.546 > 10 78 Cu 0.04374505676433 0.31250000000000 0.56294210503257 63.546 > 10 79 Cu 0.04374505676433 0.56250000000000 0.56294210503257 63.546 > 10 80 Cu 0.04374505676433 0.81250000000000 0.56294210503257 63.546 > 10 81 Cu 0.54374505676433 0.06250000000000 0.18705789496743 63.546 > 11 82 Cu 0.54374505676433 0.31250000000000 0.18705789496743 63.546 > 11 83 Cu 0.54374505676433 0.56250000000000 0.18705789496743 63.546 > 11 84 Cu 0.54374505676433 0.81250000000000 0.18705789496743 63.546 > 11 85 Cu 0.54374505676433 0.06250000000000 0.68705789496743 63.546 > 11 86 Cu 0.54374505676433 0.31250000000000 0.68705789496743 63.546 > 11 87 Cu 0.54374505676433 0.56250000000000 0.68705789496743 63.546 > 11 88 Cu 0.54374505676433 0.81250000000000 0.68705789496743 63.546 > 11 89 Cu 0.95625494323567 0.18750000000000 0.43705789496743 63.546 > 12 90 Cu 0.95625494323567 0.43750000000000 0.43705789496743 63.546 > 12 91 Cu 0.95625494323567 0.68750000000000 0.43705789496743 63.546 > 12 92 Cu 0.95625494323567 0.93750000000000 0.43705789496743 63.546 > 12 93 Cu 0.95625494323567 0.18750000000000 0.93705789496743 63.546 > 12 94 Cu 0.95625494323567 0.43750000000000 0.93705789496743 63.546 > 12 95 Cu 0.95625494323567 0.68750000000000 0.93705789496743 63.546 > 12 96 Cu 0.95625494323567 0.93750000000000 0.93705789496743 63.546 > 12 *97 Lu 0.63245453882737 0.18750000000000 0.00281394965167 174.967 > 13 98 Lu 0.63245453882737 0.43750000000000 0.00281394965167 174.967 > 13 99 Lu 0.63245453882737 0.68750000000000 0.00281394965167 174.967 > 13 100 Lu 0.63245453882737 0.93750000000000 0.00281394965167 174.967 > 13 101 Lu 0.63245453882737 0.18750000000000 0.50281394965167 174.967 > 13 102 Lu 0.63245453882737 0.43750000000000 0.50281394965167 174.967 > 13 103 Lu 0.63245453882737 0.68750000000000 0.50281394965167 174.967 > 13 104 Lu 0.63245453882737 0.93750000000000 0.50281394965167 174.967 > 13 105 Lu 0.36754546117263 0.06250000000000 0.49718605034833 174.967 > 14 106 Lu 0.36754546117263 0.31250000000000 0.49718605034833 174.967 > 14 107 Lu 0.36754546117263 0.56250000000000 0.49718605034833 174.967 > 14 108 Lu 0.36754546117263 0.81250000000000 0.49718605034833 174.967 > 14 109 Lu 0.36754546117263 0.06250000000000 0.99718605034833 174.967 > 14 110 Lu 0.36754546117263 0.31250000000000 0.99718605034833 174.967 > 14 111 Lu 0.36754546117263 0.56250000000000 0.99718605034833 174.967 > 14 112 Lu 0.36754546117263 0.81250000000000 0.99718605034833 174.967 > 14 113 Lu 0.86754546117263 0.06250000000000 0.25281394965167 174.967 > 15 114 Lu 0.86754546117263 0.31250000000000 0.25281394965167 174.967 > 15 115 Lu 0.86754546117263 0.56250000000000 0.25281394965167 174.967 > 15 116 Lu 0.86754546117263 0.81250000000000 0.25281394965167 174.967 > 15 117 Lu 0.86754546117263 0.06250000000000 0.75281394965167 174.967 > 15 118 Lu 0.86754546117263 0.31250000000000 0.75281394965167 174.967 > 15 119 Lu 0.86754546117263 0.56250000000000 0.75281394965167 174.967 > 15 120 Lu 0.86754546117263 0.81250000000000 0.75281394965167 174.967 > 15 121 Lu 0.13245453882737 0.18750000000000 0.24718605034833 174.967 > 16 122 Lu 0.13245453882737 0.43750000000000 0.24718605034833 174.967 > 16 123 Lu 0.13245453882737 0.68750000000000 0.24718605034833 174.967 > 16 124 Lu 0.13245453882737 0.93750000000000 0.24718605034833 174.967 > 16 125 Lu 0.13245453882737 0.18750000000000 0.74718605034833 174.967 > 16 126 Lu 0.13245453882737 0.43750000000000 0.74718605034833 174.967 > 16 127 Lu 0.13245453882737 0.68750000000000 0.74718605034833 174.967 > 16 128 Lu 0.13245453882737 0.93750000000000 0.74718605034833 174.967 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5053390 0.0000000 0.0000000 0.0000000 9.4591060 0.0000000 0.0000000 0.0000000 8.7262063 -------------------------- Born effective charges -------------------------- 1 S -2.5395741 0.0000000 -1.0603988 0.0000000 -2.5599156 0.0000000 -1.0207649 0.0000000 -2.2826047 2 S -2.5395741 0.0000000 -1.0603988 0.0000000 -2.5599156 0.0000000 -1.0207649 0.0000000 -2.2826047 3 S -2.5395741 0.0000000 1.0603988 0.0000000 -2.5599156 0.0000000 1.0207649 0.0000000 -2.2826047 4 S -2.5395741 0.0000000 1.0603988 0.0000000 -2.5599156 0.0000000 1.0207649 0.0000000 -2.2826047 5 S -1.9328402 0.0000000 -0.3237770 0.0000000 -2.9091300 0.0000000 -0.0644024 0.0000000 -2.2509585 6 S -1.9328402 0.0000000 0.3237770 0.0000000 -2.9091300 0.0000000 0.0644024 0.0000000 -2.2509585 7 S -1.9328402 0.0000000 0.3237770 0.0000000 -2.9091300 0.0000000 0.0644024 0.0000000 -2.2509585 8 S -1.9328402 0.0000000 -0.3237770 0.0000000 -2.9091300 0.0000000 -0.0644024 0.0000000 -2.2509585 9 Cu 0.5115012 0.0000000 -0.0189854 0.0000000 0.8321501 0.0000000 -0.0721785 0.0000000 0.6336448 10 Cu 0.5115012 0.0000000 0.0189854 0.0000000 0.8321501 0.0000000 0.0721785 0.0000000 0.6336448 11 Cu 0.5115012 0.0000000 -0.0189854 0.0000000 0.8321501 0.0000000 -0.0721785 0.0000000 0.6336448 12 Cu 0.5115012 0.0000000 0.0189854 0.0000000 0.8321501 0.0000000 0.0721785 0.0000000 0.6336448 13 Lu 3.9609131 0.0000000 -0.2503957 0.0000000 4.6368955 0.0000000 -0.3419379 0.0000000 3.8999183 14 Lu 3.9609131 0.0000000 -0.2503957 0.0000000 4.6368955 0.0000000 -0.3419379 0.0000000 3.8999183 15 Lu 3.9609131 0.0000000 0.2503957 0.0000000 4.6368955 0.0000000 0.3419379 0.0000000 3.8999183 16 Lu 3.9609131 0.0000000 0.2503957 0.0000000 4.6368955 0.0000000 0.3419379 0.0000000 3.8999183 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.780 Solver_block: 200 / 240 - Time: 1.741 Solver_block: 240 / 240 - Time: 0.773 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.324 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:06:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:06:06]------------------------- 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): [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.935722929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.829589850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.104056599999999 Atomic positions (fractional): 1 S 0.29267892557900 0.75000000000000 0.76012311230216 32.065 2 S 0.70732107442100 0.25000000000000 0.23987688769784 32.065 3 S 0.20732107442100 0.25000000000000 0.26012311230216 32.065 4 S 0.79267892557900 0.75000000000000 0.73987688769784 32.065 5 S 0.45719428260644 0.75000000000000 0.24424714770468 32.065 6 S 0.95719428260644 0.75000000000000 0.25575285229532 32.065 7 S 0.04280571739357 0.25000000000000 0.74424714770468 32.065 8 S 0.54280571739356 0.25000000000000 0.75575285229532 32.065 9 Cu 0.45625494323567 0.75000000000000 0.62588421006514 63.546 10 Cu 0.04374505676433 0.25000000000000 0.12588421006514 63.546 11 Cu 0.54374505676433 0.25000000000000 0.37411578993486 63.546 12 Cu 0.95625494323567 0.75000000000000 0.87411578993486 63.546 13 Lu 0.63245453882737 0.75000000000000 0.00562789930334 174.967 14 Lu 0.36754546117263 0.25000000000000 0.99437210069666 174.967 15 Lu 0.86754546117263 0.25000000000000 0.50562789930334 174.967 16 Lu 0.13245453882737 0.75000000000000 0.49437210069666 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.935722929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.318359400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.208113199999998 Atomic positions (fractional): 1 S 0.29267892557900 0.18750000000000 0.38006155615108 32.065 > 1 2 S 0.29267892557900 0.43750000000000 0.38006155615108 32.065 > 1 3 S 0.29267892557900 0.68750000000000 0.38006155615108 32.065 > 1 4 S 0.29267892557900 0.93750000000000 0.38006155615108 32.065 > 1 5 S 0.29267892557900 0.18750000000000 0.88006155615108 32.065 > 1 6 S 0.29267892557900 0.43750000000000 0.88006155615108 32.065 > 1 7 S 0.29267892557900 0.68750000000000 0.88006155615108 32.065 > 1 8 S 0.29267892557900 0.93750000000000 0.88006155615108 32.065 > 1 9 S 0.70732107442100 0.06250000000000 0.11993844384892 32.065 > 9 10 S 0.70732107442100 0.31250000000000 0.11993844384892 32.065 > 9 11 S 0.70732107442100 0.56250000000000 0.11993844384892 32.065 > 9 12 S 0.70732107442100 0.81250000000000 0.11993844384892 32.065 > 9 13 S 0.70732107442100 0.06250000000000 0.61993844384892 32.065 > 9 14 S 0.70732107442100 0.31250000000000 0.61993844384892 32.065 > 9 15 S 0.70732107442100 0.56250000000000 0.61993844384892 32.065 > 9 16 S 0.70732107442100 0.81250000000000 0.61993844384892 32.065 > 9 17 S 0.20732107442100 0.06250000000000 0.13006155615108 32.065 > 17 18 S 0.20732107442100 0.31250000000000 0.13006155615108 32.065 > 17 19 S 0.20732107442100 0.56250000000000 0.13006155615108 32.065 > 17 20 S 0.20732107442100 0.81250000000000 0.13006155615108 32.065 > 17 21 S 0.20732107442100 0.06250000000000 0.63006155615108 32.065 > 17 22 S 0.20732107442100 0.31250000000000 0.63006155615108 32.065 > 17 23 S 0.20732107442100 0.56250000000000 0.63006155615108 32.065 > 17 24 S 0.20732107442100 0.81250000000000 0.63006155615108 32.065 > 17 25 S 0.79267892557900 0.18750000000000 0.36993844384892 32.065 > 25 26 S 0.79267892557900 0.43750000000000 0.36993844384892 32.065 > 25 27 S 0.79267892557900 0.68750000000000 0.36993844384892 32.065 > 25 28 S 0.79267892557900 0.93750000000000 0.36993844384892 32.065 > 25 29 S 0.79267892557900 0.18750000000000 0.86993844384892 32.065 > 25 30 S 0.79267892557900 0.43750000000000 0.86993844384892 32.065 > 25 31 S 0.79267892557900 0.68750000000000 0.86993844384892 32.065 > 25 32 S 0.79267892557900 0.93750000000000 0.86993844384892 32.065 > 25 33 S 0.45719428260644 0.18750000000000 0.12212357385234 32.065 > 33 34 S 0.45719428260644 0.43750000000000 0.12212357385234 32.065 > 33 35 S 0.45719428260644 0.68750000000000 0.12212357385234 32.065 > 33 36 S 0.45719428260644 0.93750000000000 0.12212357385234 32.065 > 33 37 S 0.45719428260644 0.18750000000000 0.62212357385234 32.065 > 33 38 S 0.45719428260644 0.43750000000000 0.62212357385234 32.065 > 33 39 S 0.45719428260644 0.68750000000000 0.62212357385234 32.065 > 33 40 S 0.45719428260644 0.93750000000000 0.62212357385234 32.065 > 33 41 S 0.95719428260644 0.18750000000000 0.12787642614766 32.065 > 41 42 S 0.95719428260644 0.43750000000000 0.12787642614766 32.065 > 41 43 S 0.95719428260644 0.68750000000000 0.12787642614766 32.065 > 41 44 S 0.95719428260644 0.93750000000000 0.12787642614766 32.065 > 41 45 S 0.95719428260644 0.18750000000000 0.62787642614766 32.065 > 41 46 S 0.95719428260644 0.43750000000000 0.62787642614766 32.065 > 41 47 S 0.95719428260644 0.68750000000000 0.62787642614766 32.065 > 41 48 S 0.95719428260644 0.93750000000000 0.62787642614766 32.065 > 41 49 S 0.04280571739357 0.06250000000000 0.37212357385234 32.065 > 49 50 S 0.04280571739357 0.31250000000000 0.37212357385234 32.065 > 49 51 S 0.04280571739357 0.56250000000000 0.37212357385234 32.065 > 49 52 S 0.04280571739357 0.81250000000000 0.37212357385234 32.065 > 49 53 S 0.04280571739357 0.06250000000000 0.87212357385234 32.065 > 49 54 S 0.04280571739357 0.31250000000000 0.87212357385234 32.065 > 49 55 S 0.04280571739357 0.56250000000000 0.87212357385234 32.065 > 49 56 S 0.04280571739357 0.81250000000000 0.87212357385234 32.065 > 49 57 S 0.54280571739356 0.06250000000000 0.37787642614766 32.065 > 57 58 S 0.54280571739356 0.31250000000000 0.37787642614766 32.065 > 57 59 S 0.54280571739356 0.56250000000000 0.37787642614766 32.065 > 57 60 S 0.54280571739356 0.81250000000000 0.37787642614766 32.065 > 57 61 S 0.54280571739356 0.06250000000000 0.87787642614766 32.065 > 57 62 S 0.54280571739356 0.31250000000000 0.87787642614766 32.065 > 57 63 S 0.54280571739356 0.56250000000000 0.87787642614766 32.065 > 57 64 S 0.54280571739356 0.81250000000000 0.87787642614766 32.065 > 57 65 Cu 0.45625494323567 0.18750000000000 0.31294210503257 63.546 > 65 66 Cu 0.45625494323567 0.43750000000000 0.31294210503257 63.546 > 65 67 Cu 0.45625494323567 0.68750000000000 0.31294210503257 63.546 > 65 68 Cu 0.45625494323567 0.93750000000000 0.31294210503257 63.546 > 65 69 Cu 0.45625494323567 0.18750000000000 0.81294210503257 63.546 > 65 70 Cu 0.45625494323567 0.43750000000000 0.81294210503257 63.546 > 65 71 Cu 0.45625494323567 0.68750000000000 0.81294210503257 63.546 > 65 72 Cu 0.45625494323567 0.93750000000000 0.81294210503257 63.546 > 65 73 Cu 0.04374505676433 0.06250000000000 0.06294210503257 63.546 > 73 74 Cu 0.04374505676433 0.31250000000000 0.06294210503257 63.546 > 73 75 Cu 0.04374505676433 0.56250000000000 0.06294210503257 63.546 > 73 76 Cu 0.04374505676433 0.81250000000000 0.06294210503257 63.546 > 73 77 Cu 0.04374505676433 0.06250000000000 0.56294210503257 63.546 > 73 78 Cu 0.04374505676433 0.31250000000000 0.56294210503257 63.546 > 73 79 Cu 0.04374505676433 0.56250000000000 0.56294210503257 63.546 > 73 80 Cu 0.04374505676433 0.81250000000000 0.56294210503257 63.546 > 73 81 Cu 0.54374505676433 0.06250000000000 0.18705789496743 63.546 > 81 82 Cu 0.54374505676433 0.31250000000000 0.18705789496743 63.546 > 81 83 Cu 0.54374505676433 0.56250000000000 0.18705789496743 63.546 > 81 84 Cu 0.54374505676433 0.81250000000000 0.18705789496743 63.546 > 81 85 Cu 0.54374505676433 0.06250000000000 0.68705789496743 63.546 > 81 86 Cu 0.54374505676433 0.31250000000000 0.68705789496743 63.546 > 81 87 Cu 0.54374505676433 0.56250000000000 0.68705789496743 63.546 > 81 88 Cu 0.54374505676433 0.81250000000000 0.68705789496743 63.546 > 81 89 Cu 0.95625494323567 0.18750000000000 0.43705789496743 63.546 > 89 90 Cu 0.95625494323567 0.43750000000000 0.43705789496743 63.546 > 89 91 Cu 0.95625494323567 0.68750000000000 0.43705789496743 63.546 > 89 92 Cu 0.95625494323567 0.93750000000000 0.43705789496743 63.546 > 89 93 Cu 0.95625494323567 0.18750000000000 0.93705789496743 63.546 > 89 94 Cu 0.95625494323567 0.43750000000000 0.93705789496743 63.546 > 89 95 Cu 0.95625494323567 0.68750000000000 0.93705789496743 63.546 > 89 96 Cu 0.95625494323567 0.93750000000000 0.93705789496743 63.546 > 89 97 Lu 0.63245453882737 0.18750000000000 0.00281394965167 174.967 > 97 98 Lu 0.63245453882737 0.43750000000000 0.00281394965167 174.967 > 97 99 Lu 0.63245453882737 0.68750000000000 0.00281394965167 174.967 > 97 100 Lu 0.63245453882737 0.93750000000000 0.00281394965167 174.967 > 97 101 Lu 0.63245453882737 0.18750000000000 0.50281394965167 174.967 > 97 102 Lu 0.63245453882737 0.43750000000000 0.50281394965167 174.967 > 97 103 Lu 0.63245453882737 0.68750000000000 0.50281394965167 174.967 > 97 104 Lu 0.63245453882737 0.93750000000000 0.50281394965167 174.967 > 97 105 Lu 0.36754546117263 0.06250000000000 0.49718605034833 174.967 > 105 106 Lu 0.36754546117263 0.31250000000000 0.49718605034833 174.967 > 105 107 Lu 0.36754546117263 0.56250000000000 0.49718605034833 174.967 > 105 108 Lu 0.36754546117263 0.81250000000000 0.49718605034833 174.967 > 105 109 Lu 0.36754546117263 0.06250000000000 0.99718605034833 174.967 > 105 110 Lu 0.36754546117263 0.31250000000000 0.99718605034833 174.967 > 105 111 Lu 0.36754546117263 0.56250000000000 0.99718605034833 174.967 > 105 112 Lu 0.36754546117263 0.81250000000000 0.99718605034833 174.967 > 105 113 Lu 0.86754546117263 0.06250000000000 0.25281394965167 174.967 > 113 114 Lu 0.86754546117263 0.31250000000000 0.25281394965167 174.967 > 113 115 Lu 0.86754546117263 0.56250000000000 0.25281394965167 174.967 > 113 116 Lu 0.86754546117263 0.81250000000000 0.25281394965167 174.967 > 113 117 Lu 0.86754546117263 0.06250000000000 0.75281394965167 174.967 > 113 118 Lu 0.86754546117263 0.31250000000000 0.75281394965167 174.967 > 113 119 Lu 0.86754546117263 0.56250000000000 0.75281394965167 174.967 > 113 120 Lu 0.86754546117263 0.81250000000000 0.75281394965167 174.967 > 113 121 Lu 0.13245453882737 0.18750000000000 0.24718605034833 174.967 > 121 122 Lu 0.13245453882737 0.43750000000000 0.24718605034833 174.967 > 121 123 Lu 0.13245453882737 0.68750000000000 0.24718605034833 174.967 > 121 124 Lu 0.13245453882737 0.93750000000000 0.24718605034833 174.967 > 121 125 Lu 0.13245453882737 0.18750000000000 0.74718605034833 174.967 > 121 126 Lu 0.13245453882737 0.43750000000000 0.74718605034833 174.967 > 121 127 Lu 0.13245453882737 0.68750000000000 0.74718605034833 174.967 > 121 128 Lu 0.13245453882737 0.93750000000000 0.74718605034833 174.967 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5053390 0.0000000 0.0000000 0.0000000 9.4591060 0.0000000 0.0000000 0.0000000 8.7262063 -------------------------- Born effective charges -------------------------- 1 S -2.5395741 0.0000000 -1.0603988 0.0000000 -2.5599156 0.0000000 -1.0207649 0.0000000 -2.2826047 2 S -2.5395741 0.0000000 -1.0603988 0.0000000 -2.5599156 0.0000000 -1.0207649 0.0000000 -2.2826047 3 S -2.5395741 0.0000000 1.0603988 0.0000000 -2.5599156 0.0000000 1.0207649 0.0000000 -2.2826047 4 S -2.5395741 0.0000000 1.0603988 0.0000000 -2.5599156 0.0000000 1.0207649 0.0000000 -2.2826047 5 S -1.9328402 0.0000000 -0.3237770 0.0000000 -2.9091300 0.0000000 -0.0644024 0.0000000 -2.2509585 6 S -1.9328402 0.0000000 0.3237770 0.0000000 -2.9091300 0.0000000 0.0644024 0.0000000 -2.2509585 7 S -1.9328402 0.0000000 0.3237770 0.0000000 -2.9091300 0.0000000 0.0644024 0.0000000 -2.2509585 8 S -1.9328402 0.0000000 -0.3237770 0.0000000 -2.9091300 0.0000000 -0.0644024 0.0000000 -2.2509585 9 Cu 0.5115012 0.0000000 -0.0189854 0.0000000 0.8321501 0.0000000 -0.0721785 0.0000000 0.6336448 10 Cu 0.5115012 0.0000000 0.0189854 0.0000000 0.8321501 0.0000000 0.0721785 0.0000000 0.6336448 11 Cu 0.5115012 0.0000000 -0.0189854 0.0000000 0.8321501 0.0000000 -0.0721785 0.0000000 0.6336448 12 Cu 0.5115012 0.0000000 0.0189854 0.0000000 0.8321501 0.0000000 0.0721785 0.0000000 0.6336448 13 Lu 3.9609131 0.0000000 -0.2503957 0.0000000 4.6368955 0.0000000 -0.3419379 0.0000000 3.8999183 14 Lu 3.9609131 0.0000000 -0.2503957 0.0000000 4.6368955 0.0000000 -0.3419379 0.0000000 3.8999183 15 Lu 3.9609131 0.0000000 0.2503957 0.0000000 4.6368955 0.0000000 0.3419379 0.0000000 3.8999183 16 Lu 3.9609131 0.0000000 0.2503957 0.0000000 4.6368955 0.0000000 0.3419379 0.0000000 3.8999183 ---------------------------------------------------------------------------- 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[ 33, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:06:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:06:23]------------------------- 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): [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.935722929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.829589850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.104056599999999 Atomic positions (fractional): 1 S 0.29267892557900 0.75000000000000 0.76012311230216 32.065 2 S 0.70732107442100 0.25000000000000 0.23987688769784 32.065 3 S 0.20732107442100 0.25000000000000 0.26012311230216 32.065 4 S 0.79267892557900 0.75000000000000 0.73987688769784 32.065 5 S 0.45719428260644 0.75000000000000 0.24424714770468 32.065 6 S 0.95719428260644 0.75000000000000 0.25575285229532 32.065 7 S 0.04280571739357 0.25000000000000 0.74424714770468 32.065 8 S 0.54280571739356 0.25000000000000 0.75575285229532 32.065 9 Cu 0.45625494323567 0.75000000000000 0.62588421006514 63.546 10 Cu 0.04374505676433 0.25000000000000 0.12588421006514 63.546 11 Cu 0.54374505676433 0.25000000000000 0.37411578993486 63.546 12 Cu 0.95625494323567 0.75000000000000 0.87411578993486 63.546 13 Lu 0.63245453882737 0.75000000000000 0.00562789930334 174.967 14 Lu 0.36754546117263 0.25000000000000 0.99437210069666 174.967 15 Lu 0.86754546117263 0.25000000000000 0.50562789930334 174.967 16 Lu 0.13245453882737 0.75000000000000 0.49437210069666 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.935722929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.318359400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.208113199999998 Atomic positions (fractional): 1 S 0.29267892557900 0.18750000000000 0.38006155615108 32.065 > 1 2 S 0.29267892557900 0.43750000000000 0.38006155615108 32.065 > 1 3 S 0.29267892557900 0.68750000000000 0.38006155615108 32.065 > 1 4 S 0.29267892557900 0.93750000000000 0.38006155615108 32.065 > 1 5 S 0.29267892557900 0.18750000000000 0.88006155615108 32.065 > 1 6 S 0.29267892557900 0.43750000000000 0.88006155615108 32.065 > 1 7 S 0.29267892557900 0.68750000000000 0.88006155615108 32.065 > 1 8 S 0.29267892557900 0.93750000000000 0.88006155615108 32.065 > 1 9 S 0.70732107442100 0.06250000000000 0.11993844384892 32.065 > 9 10 S 0.70732107442100 0.31250000000000 0.11993844384892 32.065 > 9 11 S 0.70732107442100 0.56250000000000 0.11993844384892 32.065 > 9 12 S 0.70732107442100 0.81250000000000 0.11993844384892 32.065 > 9 13 S 0.70732107442100 0.06250000000000 0.61993844384892 32.065 > 9 14 S 0.70732107442100 0.31250000000000 0.61993844384892 32.065 > 9 15 S 0.70732107442100 0.56250000000000 0.61993844384892 32.065 > 9 16 S 0.70732107442100 0.81250000000000 0.61993844384892 32.065 > 9 17 S 0.20732107442100 0.06250000000000 0.13006155615108 32.065 > 17 18 S 0.20732107442100 0.31250000000000 0.13006155615108 32.065 > 17 19 S 0.20732107442100 0.56250000000000 0.13006155615108 32.065 > 17 20 S 0.20732107442100 0.81250000000000 0.13006155615108 32.065 > 17 21 S 0.20732107442100 0.06250000000000 0.63006155615108 32.065 > 17 22 S 0.20732107442100 0.31250000000000 0.63006155615108 32.065 > 17 23 S 0.20732107442100 0.56250000000000 0.63006155615108 32.065 > 17 24 S 0.20732107442100 0.81250000000000 0.63006155615108 32.065 > 17 25 S 0.79267892557900 0.18750000000000 0.36993844384892 32.065 > 25 26 S 0.79267892557900 0.43750000000000 0.36993844384892 32.065 > 25 27 S 0.79267892557900 0.68750000000000 0.36993844384892 32.065 > 25 28 S 0.79267892557900 0.93750000000000 0.36993844384892 32.065 > 25 29 S 0.79267892557900 0.18750000000000 0.86993844384892 32.065 > 25 30 S 0.79267892557900 0.43750000000000 0.86993844384892 32.065 > 25 31 S 0.79267892557900 0.68750000000000 0.86993844384892 32.065 > 25 32 S 0.79267892557900 0.93750000000000 0.86993844384892 32.065 > 25 33 S 0.45719428260644 0.18750000000000 0.12212357385234 32.065 > 33 34 S 0.45719428260644 0.43750000000000 0.12212357385234 32.065 > 33 35 S 0.45719428260644 0.68750000000000 0.12212357385234 32.065 > 33 36 S 0.45719428260644 0.93750000000000 0.12212357385234 32.065 > 33 37 S 0.45719428260644 0.18750000000000 0.62212357385234 32.065 > 33 38 S 0.45719428260644 0.43750000000000 0.62212357385234 32.065 > 33 39 S 0.45719428260644 0.68750000000000 0.62212357385234 32.065 > 33 40 S 0.45719428260644 0.93750000000000 0.62212357385234 32.065 > 33 41 S 0.95719428260644 0.18750000000000 0.12787642614766 32.065 > 41 42 S 0.95719428260644 0.43750000000000 0.12787642614766 32.065 > 41 43 S 0.95719428260644 0.68750000000000 0.12787642614766 32.065 > 41 44 S 0.95719428260644 0.93750000000000 0.12787642614766 32.065 > 41 45 S 0.95719428260644 0.18750000000000 0.62787642614766 32.065 > 41 46 S 0.95719428260644 0.43750000000000 0.62787642614766 32.065 > 41 47 S 0.95719428260644 0.68750000000000 0.62787642614766 32.065 > 41 48 S 0.95719428260644 0.93750000000000 0.62787642614766 32.065 > 41 49 S 0.04280571739357 0.06250000000000 0.37212357385234 32.065 > 49 50 S 0.04280571739357 0.31250000000000 0.37212357385234 32.065 > 49 51 S 0.04280571739357 0.56250000000000 0.37212357385234 32.065 > 49 52 S 0.04280571739357 0.81250000000000 0.37212357385234 32.065 > 49 53 S 0.04280571739357 0.06250000000000 0.87212357385234 32.065 > 49 54 S 0.04280571739357 0.31250000000000 0.87212357385234 32.065 > 49 55 S 0.04280571739357 0.56250000000000 0.87212357385234 32.065 > 49 56 S 0.04280571739357 0.81250000000000 0.87212357385234 32.065 > 49 57 S 0.54280571739356 0.06250000000000 0.37787642614766 32.065 > 57 58 S 0.54280571739356 0.31250000000000 0.37787642614766 32.065 > 57 59 S 0.54280571739356 0.56250000000000 0.37787642614766 32.065 > 57 60 S 0.54280571739356 0.81250000000000 0.37787642614766 32.065 > 57 61 S 0.54280571739356 0.06250000000000 0.87787642614766 32.065 > 57 62 S 0.54280571739356 0.31250000000000 0.87787642614766 32.065 > 57 63 S 0.54280571739356 0.56250000000000 0.87787642614766 32.065 > 57 64 S 0.54280571739356 0.81250000000000 0.87787642614766 32.065 > 57 65 Cu 0.45625494323567 0.18750000000000 0.31294210503257 63.546 > 65 66 Cu 0.45625494323567 0.43750000000000 0.31294210503257 63.546 > 65 67 Cu 0.45625494323567 0.68750000000000 0.31294210503257 63.546 > 65 68 Cu 0.45625494323567 0.93750000000000 0.31294210503257 63.546 > 65 69 Cu 0.45625494323567 0.18750000000000 0.81294210503257 63.546 > 65 70 Cu 0.45625494323567 0.43750000000000 0.81294210503257 63.546 > 65 71 Cu 0.45625494323567 0.68750000000000 0.81294210503257 63.546 > 65 72 Cu 0.45625494323567 0.93750000000000 0.81294210503257 63.546 > 65 73 Cu 0.04374505676433 0.06250000000000 0.06294210503257 63.546 > 73 74 Cu 0.04374505676433 0.31250000000000 0.06294210503257 63.546 > 73 75 Cu 0.04374505676433 0.56250000000000 0.06294210503257 63.546 > 73 76 Cu 0.04374505676433 0.81250000000000 0.06294210503257 63.546 > 73 77 Cu 0.04374505676433 0.06250000000000 0.56294210503257 63.546 > 73 78 Cu 0.04374505676433 0.31250000000000 0.56294210503257 63.546 > 73 79 Cu 0.04374505676433 0.56250000000000 0.56294210503257 63.546 > 73 80 Cu 0.04374505676433 0.81250000000000 0.56294210503257 63.546 > 73 81 Cu 0.54374505676433 0.06250000000000 0.18705789496743 63.546 > 81 82 Cu 0.54374505676433 0.31250000000000 0.18705789496743 63.546 > 81 83 Cu 0.54374505676433 0.56250000000000 0.18705789496743 63.546 > 81 84 Cu 0.54374505676433 0.81250000000000 0.18705789496743 63.546 > 81 85 Cu 0.54374505676433 0.06250000000000 0.68705789496743 63.546 > 81 86 Cu 0.54374505676433 0.31250000000000 0.68705789496743 63.546 > 81 87 Cu 0.54374505676433 0.56250000000000 0.68705789496743 63.546 > 81 88 Cu 0.54374505676433 0.81250000000000 0.68705789496743 63.546 > 81 89 Cu 0.95625494323567 0.18750000000000 0.43705789496743 63.546 > 89 90 Cu 0.95625494323567 0.43750000000000 0.43705789496743 63.546 > 89 91 Cu 0.95625494323567 0.68750000000000 0.43705789496743 63.546 > 89 92 Cu 0.95625494323567 0.93750000000000 0.43705789496743 63.546 > 89 93 Cu 0.95625494323567 0.18750000000000 0.93705789496743 63.546 > 89 94 Cu 0.95625494323567 0.43750000000000 0.93705789496743 63.546 > 89 95 Cu 0.95625494323567 0.68750000000000 0.93705789496743 63.546 > 89 96 Cu 0.95625494323567 0.93750000000000 0.93705789496743 63.546 > 89 97 Lu 0.63245453882737 0.18750000000000 0.00281394965167 174.967 > 97 98 Lu 0.63245453882737 0.43750000000000 0.00281394965167 174.967 > 97 99 Lu 0.63245453882737 0.68750000000000 0.00281394965167 174.967 > 97 100 Lu 0.63245453882737 0.93750000000000 0.00281394965167 174.967 > 97 101 Lu 0.63245453882737 0.18750000000000 0.50281394965167 174.967 > 97 102 Lu 0.63245453882737 0.43750000000000 0.50281394965167 174.967 > 97 103 Lu 0.63245453882737 0.68750000000000 0.50281394965167 174.967 > 97 104 Lu 0.63245453882737 0.93750000000000 0.50281394965167 174.967 > 97 105 Lu 0.36754546117263 0.06250000000000 0.49718605034833 174.967 > 105 106 Lu 0.36754546117263 0.31250000000000 0.49718605034833 174.967 > 105 107 Lu 0.36754546117263 0.56250000000000 0.49718605034833 174.967 > 105 108 Lu 0.36754546117263 0.81250000000000 0.49718605034833 174.967 > 105 109 Lu 0.36754546117263 0.06250000000000 0.99718605034833 174.967 > 105 110 Lu 0.36754546117263 0.31250000000000 0.99718605034833 174.967 > 105 111 Lu 0.36754546117263 0.56250000000000 0.99718605034833 174.967 > 105 112 Lu 0.36754546117263 0.81250000000000 0.99718605034833 174.967 > 105 113 Lu 0.86754546117263 0.06250000000000 0.25281394965167 174.967 > 113 114 Lu 0.86754546117263 0.31250000000000 0.25281394965167 174.967 > 113 115 Lu 0.86754546117263 0.56250000000000 0.25281394965167 174.967 > 113 116 Lu 0.86754546117263 0.81250000000000 0.25281394965167 174.967 > 113 117 Lu 0.86754546117263 0.06250000000000 0.75281394965167 174.967 > 113 118 Lu 0.86754546117263 0.31250000000000 0.75281394965167 174.967 > 113 119 Lu 0.86754546117263 0.56250000000000 0.75281394965167 174.967 > 113 120 Lu 0.86754546117263 0.81250000000000 0.75281394965167 174.967 > 113 121 Lu 0.13245453882737 0.18750000000000 0.24718605034833 174.967 > 121 122 Lu 0.13245453882737 0.43750000000000 0.24718605034833 174.967 > 121 123 Lu 0.13245453882737 0.68750000000000 0.24718605034833 174.967 > 121 124 Lu 0.13245453882737 0.93750000000000 0.24718605034833 174.967 > 121 125 Lu 0.13245453882737 0.18750000000000 0.74718605034833 174.967 > 121 126 Lu 0.13245453882737 0.43750000000000 0.74718605034833 174.967 > 121 127 Lu 0.13245453882737 0.68750000000000 0.74718605034833 174.967 > 121 128 Lu 0.13245453882737 0.93750000000000 0.74718605034833 174.967 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.5053390 0.0000000 0.0000000 0.0000000 9.4591060 0.0000000 0.0000000 0.0000000 8.7262063 -------------------------- Born effective charges -------------------------- 1 S -2.5395741 0.0000000 -1.0603988 0.0000000 -2.5599156 0.0000000 -1.0207649 0.0000000 -2.2826047 2 S -2.5395741 0.0000000 -1.0603988 0.0000000 -2.5599156 0.0000000 -1.0207649 0.0000000 -2.2826047 3 S -2.5395741 0.0000000 1.0603988 0.0000000 -2.5599156 0.0000000 1.0207649 0.0000000 -2.2826047 4 S -2.5395741 0.0000000 1.0603988 0.0000000 -2.5599156 0.0000000 1.0207649 0.0000000 -2.2826047 5 S -1.9328402 0.0000000 -0.3237770 0.0000000 -2.9091300 0.0000000 -0.0644024 0.0000000 -2.2509585 6 S -1.9328402 0.0000000 0.3237770 0.0000000 -2.9091300 0.0000000 0.0644024 0.0000000 -2.2509585 7 S -1.9328402 0.0000000 0.3237770 0.0000000 -2.9091300 0.0000000 0.0644024 0.0000000 -2.2509585 8 S -1.9328402 0.0000000 -0.3237770 0.0000000 -2.9091300 0.0000000 -0.0644024 0.0000000 -2.2509585 9 Cu 0.5115012 0.0000000 -0.0189854 0.0000000 0.8321501 0.0000000 -0.0721785 0.0000000 0.6336448 10 Cu 0.5115012 0.0000000 0.0189854 0.0000000 0.8321501 0.0000000 0.0721785 0.0000000 0.6336448 11 Cu 0.5115012 0.0000000 -0.0189854 0.0000000 0.8321501 0.0000000 -0.0721785 0.0000000 0.6336448 12 Cu 0.5115012 0.0000000 0.0189854 0.0000000 0.8321501 0.0000000 0.0721785 0.0000000 0.6336448 13 Lu 3.9609131 0.0000000 -0.2503957 0.0000000 4.6368955 0.0000000 -0.3419379 0.0000000 3.8999183 14 Lu 3.9609131 0.0000000 -0.2503957 0.0000000 4.6368955 0.0000000 -0.3419379 0.0000000 3.8999183 15 Lu 3.9609131 0.0000000 0.2503957 0.0000000 4.6368955 0.0000000 0.3419379 0.0000000 3.8999183 16 Lu 3.9609131 0.0000000 0.2503957 0.0000000 4.6368955 0.0000000 0.3419379 0.0000000 3.8999183 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 13 8 ] 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: 0.62, Number of G-points: 295, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 105 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 1.061 ( 0.000 0.000 0.000) 0.000 1.660 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.795 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.560 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.284 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.551 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.761 ( 0.000 0.000 0.000) 0.000 7.800 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 9.832 ( 0.000 0.000 0.000) 0.000 9.835 ( 0.000 0.000 0.000) 0.000 10.121 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.684 ( 0.000 0.000 0.000) 0.000 11.233 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 19.085 0.000 0.000) 19.085 0.539 ( 27.001 0.000 0.000) 27.001 0.798 ( 40.187 0.000 0.000) 40.187 0.967 ( -9.300 0.000 0.000) 9.300 1.440 ( -17.736 0.000 0.000) 17.736 1.947 ( 2.823 0.000 0.000) 2.823 2.057 ( -1.834 0.000 0.000) 1.834 2.131 ( 10.075 0.000 0.000) 10.075 2.158 ( -25.663 0.000 0.000) 25.663 2.434 ( -4.879 0.000 0.000) 4.879 2.488 ( 0.133 0.000 0.000) 0.133 2.494 ( -0.109 0.000 0.000) 0.109 2.584 ( 1.821 0.000 0.000) 1.821 2.643 ( -1.079 0.000 0.000) 1.079 2.933 ( 0.361 0.000 0.000) 0.361 2.951 ( -0.354 0.000 0.000) 0.354 3.055 ( 1.090 0.000 0.000) 1.090 3.066 ( -0.029 0.000 0.000) 0.029 3.112 ( 3.835 0.000 0.000) 3.835 3.322 ( -1.681 0.000 0.000) 1.681 3.812 ( 1.546 0.000 0.000) 1.546 4.046 ( -4.370 0.000 0.000) 4.370 4.148 ( 11.910 0.000 0.000) 11.910 4.505 ( -5.261 0.000 0.000) 5.261 6.337 ( 2.926 0.000 0.000) 2.926 6.510 ( -4.421 0.000 0.000) 4.421 6.741 ( 1.960 0.000 0.000) 1.960 6.782 ( 0.531 0.000 0.000) 0.531 7.089 ( 4.140 0.000 0.000) 4.140 7.125 ( -2.923 0.000 0.000) 2.923 7.139 ( -2.720 0.000 0.000) 2.720 7.254 ( -2.939 0.000 0.000) 2.939 7.299 ( 3.357 0.000 0.000) 3.357 7.415 ( -2.804 0.000 0.000) 2.804 7.561 ( 0.991 0.000 0.000) 0.991 7.584 ( 4.212 0.000 0.000) 4.212 7.607 ( -0.908 0.000 0.000) 0.908 7.708 ( -1.688 0.000 0.000) 1.688 7.809 ( 0.874 0.000 0.000) 0.874 7.847 ( -0.680 0.000 0.000) 0.680 8.431 ( 0.469 0.000 0.000) 0.469 8.456 ( -0.515 0.000 0.000) 0.515 9.832 ( 0.056 0.000 0.000) 0.056 9.835 ( -0.047 0.000 0.000) 0.047 10.136 ( 1.444 0.000 0.000) 1.444 10.207 ( -1.460 0.000 0.000) 1.460 11.241 ( 0.769 0.000 0.000) 0.769 11.277 ( -0.703 0.000 0.000) 0.703 ======================= Grid point 2 (3/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -15.535 0.000 0.000) 15.535 0.723 ( 15.535 0.000 0.000) 15.535 1.028 ( -23.113 0.000 0.000) 23.113 1.028 ( 23.113 0.000 0.000) 23.113 1.549 ( -35.575 0.000 0.000) 35.575 1.549 ( 35.575 0.000 0.000) 35.575 2.007 ( -3.102 0.000 0.000) 3.102 2.007 ( 3.102 0.000 0.000) 3.102 2.308 ( -7.972 0.000 0.000) 7.972 2.308 ( 7.972 0.000 0.000) 7.972 2.491 ( -0.170 0.000 0.000) 0.170 2.491 ( 0.170 0.000 0.000) 0.170 2.620 ( -1.592 0.000 0.000) 1.592 2.620 ( 1.592 0.000 0.000) 1.592 2.942 ( -0.506 0.000 0.000) 0.506 2.942 ( 0.506 0.000 0.000) 0.506 3.065 ( -0.169 0.000 0.000) 0.169 3.065 ( 0.169 0.000 0.000) 0.169 3.219 ( -6.758 0.000 0.000) 6.758 3.219 ( 6.758 0.000 0.000) 6.758 3.926 ( -7.519 0.000 0.000) 7.519 3.926 ( 7.519 0.000 0.000) 7.519 4.359 ( -9.548 0.000 0.000) 9.548 4.359 ( 9.548 0.000 0.000) 9.548 6.415 ( -4.860 0.000 0.000) 4.860 6.415 ( 4.860 0.000 0.000) 4.860 6.778 ( -1.241 0.000 0.000) 1.241 6.778 ( 1.241 0.000 0.000) 1.241 7.099 ( -0.620 0.000 0.000) 0.620 7.099 ( 0.620 0.000 0.000) 0.620 7.178 ( -4.628 0.000 0.000) 4.628 7.178 ( 4.628 0.000 0.000) 4.628 7.360 ( -2.960 0.000 0.000) 2.960 7.360 ( 2.960 0.000 0.000) 2.960 7.585 ( -1.316 0.000 0.000) 1.316 7.585 ( 1.316 0.000 0.000) 1.316 7.659 ( -3.306 0.000 0.000) 3.306 7.659 ( 3.306 0.000 0.000) 3.306 7.829 ( -1.083 0.000 0.000) 1.083 7.829 ( 1.083 0.000 0.000) 1.083 8.443 ( -0.695 0.000 0.000) 0.695 8.443 ( 0.695 0.000 0.000) 0.695 9.834 ( -0.075 0.000 0.000) 0.075 9.834 ( 0.075 0.000 0.000) 0.075 10.172 ( -2.049 0.000 0.000) 2.049 10.172 ( 2.049 0.000 0.000) 2.049 11.260 ( -1.038 0.000 0.000) 1.038 11.260 ( 1.038 0.000 0.000) 1.038 ======================= Grid point 5 (4/105) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 0.000 20.965 0.000) 20.965 0.426 ( 0.000 21.399 0.000) 21.399 0.945 ( 0.000 45.206 0.000) 45.206 1.343 ( 0.000 23.320 0.000) 23.320 1.693 ( 0.000 3.420 0.000) 3.420 1.893 ( 0.000 -1.782 0.000) 1.782 1.917 ( 0.000 -2.274 0.000) 2.274 2.235 ( 0.000 10.874 0.000) 10.874 2.454 ( 0.000 1.409 0.000) 1.409 2.471 ( 0.000 -0.422 0.000) 0.422 2.508 ( 0.000 -0.616 0.000) 0.616 2.519 ( 0.000 1.456 0.000) 1.456 2.609 ( 0.000 3.562 0.000) 3.562 2.644 ( 0.000 -2.401 0.000) 2.401 2.816 ( 0.000 2.673 0.000) 2.673 2.939 ( 0.000 1.329 0.000) 1.329 2.970 ( 0.000 3.581 0.000) 3.581 3.057 ( 0.000 -1.252 0.000) 1.252 3.147 ( 0.000 8.853 0.000) 8.853 3.293 ( 0.000 -0.353 0.000) 0.353 3.873 ( 0.000 -1.876 0.000) 1.876 3.910 ( 0.000 -3.171 0.000) 3.171 4.050 ( 0.000 -3.684 0.000) 3.684 4.490 ( 0.000 -3.530 0.000) 3.530 6.567 ( 0.000 0.821 0.000) 0.821 6.664 ( 0.000 -4.051 0.000) 4.051 6.789 ( 0.000 20.855 0.000) 20.855 6.793 ( 0.000 1.850 0.000) 1.850 7.070 ( 0.000 1.602 0.000) 1.602 7.164 ( 0.000 -0.653 0.000) 0.653 7.241 ( 0.000 -0.815 0.000) 0.815 7.324 ( 0.000 3.267 0.000) 3.267 7.486 ( 0.000 2.655 0.000) 2.655 7.516 ( 0.000 -0.700 0.000) 0.700 7.581 ( 0.000 2.848 0.000) 2.848 7.644 ( 0.000 2.620 0.000) 2.620 7.697 ( 0.000 -1.177 0.000) 1.177 7.798 ( 0.000 3.591 0.000) 3.591 7.920 ( 0.000 11.875 0.000) 11.875 7.933 ( 0.000 7.161 0.000) 7.161 8.491 ( 0.000 6.316 0.000) 6.316 8.782 ( 0.000 1.505 0.000) 1.505 9.804 ( 0.000 -2.632 0.000) 2.632 9.807 ( 0.000 -2.738 0.000) 2.738 10.114 ( 0.000 -0.711 0.000) 0.711 10.208 ( 0.000 -1.339 0.000) 1.339 10.659 ( 0.000 -2.444 0.000) 2.444 11.137 ( 0.000 -8.978 0.000) 8.978 ======================= Grid point 6 (5/105) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 20.016 11.425 0.000) 23.048 0.700 ( 18.642 14.642 0.000) 23.705 1.128 ( 17.696 31.559 0.000) 36.182 1.249 ( -8.945 21.671 0.000) 23.445 1.478 ( -15.089 5.758 0.000) 16.150 1.896 ( -1.915 -1.167 0.000) 2.243 2.029 ( 5.909 -0.472 0.000) 5.928 2.257 ( 2.646 9.588 0.000) 9.947 2.284 ( -15.823 8.597 0.000) 18.008 2.437 ( -3.685 0.750 0.000) 3.760 2.508 ( -0.022 0.624 0.000) 0.624 2.512 ( -0.339 1.756 0.000) 1.788 2.575 ( -0.878 0.885 0.000) 1.247 2.595 ( -1.697 -3.761 0.000) 4.127 2.933 ( 4.074 -0.048 0.000) 4.075 2.964 ( 1.220 1.012 0.000) 1.586 3.022 ( 5.407 0.553 0.000) 5.436 3.070 ( 2.767 -0.348 0.000) 2.788 3.097 ( -2.656 3.691 0.000) 4.548 3.333 ( -1.544 1.879 0.000) 2.432 3.787 ( 1.366 -2.428 0.000) 2.785 4.010 ( -4.175 -3.490 0.000) 5.442 4.110 ( 11.358 -3.387 0.000) 11.852 4.445 ( -4.723 -4.126 0.000) 6.271 6.529 ( -1.719 4.680 0.000) 4.986 6.610 ( -4.154 1.516 0.000) 4.422 6.837 ( 3.713 15.862 0.000) 16.291 6.840 ( 3.533 2.711 0.000) 4.453 7.085 ( 0.397 0.101 0.000) 0.409 7.161 ( 0.994 1.528 0.000) 1.823 7.212 ( -3.907 0.999 0.000) 4.033 7.291 ( -3.661 4.882 0.000) 6.102 7.442 ( -2.054 2.358 0.000) 3.127 7.524 ( -13.017 15.012 0.000) 19.870 7.582 ( 4.060 -0.017 0.000) 4.060 7.590 ( 0.889 2.736 0.000) 2.877 7.635 ( -0.823 2.664 0.000) 2.788 7.707 ( -2.283 0.716 0.000) 2.393 7.912 ( 0.204 9.751 0.000) 9.753 7.929 ( -0.354 7.477 0.000) 7.485 8.498 ( 0.771 6.464 0.000) 6.510 8.600 ( -7.254 9.673 0.000) 12.091 9.805 ( 0.043 -2.646 0.000) 2.646 9.807 ( -0.031 -2.722 0.000) 2.722 10.127 ( 1.333 -0.826 0.000) 1.568 10.194 ( -1.388 -1.269 0.000) 1.881 10.950 ( 14.362 -17.268 0.000) 22.460 11.134 ( -0.463 -9.764 0.000) 9.775 ======================= Grid point 7 (6/105) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -4.051 16.123 0.000) 16.624 0.987 ( 4.051 16.123 0.000) 16.624 1.091 ( -10.199 7.603 0.000) 12.721 1.091 ( 10.199 7.603 0.000) 12.721 1.640 ( -23.648 12.296 0.000) 26.654 1.640 ( 23.648 12.296 0.000) 26.654 2.094 ( -2.674 6.553 0.000) 7.078 2.094 ( 2.674 6.553 0.000) 7.078 2.343 ( -5.498 4.054 0.000) 6.831 2.343 ( 5.498 4.054 0.000) 6.831 2.508 ( -0.104 1.541 0.000) 1.544 2.508 ( 0.104 1.541 0.000) 1.544 2.576 ( -0.602 -3.076 0.000) 3.134 2.576 ( 0.602 -3.076 0.000) 3.134 2.968 ( -0.698 1.668 0.000) 1.808 2.968 ( 0.698 1.668 0.000) 1.808 3.062 ( -1.150 0.142 0.000) 1.159 3.062 ( 1.150 0.142 0.000) 1.159 3.214 ( -8.588 1.084 0.000) 8.656 3.214 ( 8.588 1.084 0.000) 8.656 3.896 ( -7.160 -2.933 0.000) 7.738 3.896 ( 7.160 -2.933 0.000) 7.738 4.310 ( -8.986 -4.092 0.000) 9.874 4.310 ( 8.986 -4.092 0.000) 9.874 6.539 ( -2.575 4.865 0.000) 5.505 6.539 ( 2.575 4.865 0.000) 5.505 6.886 ( -0.014 9.280 0.000) 9.280 6.886 ( 0.014 9.280 0.000) 9.280 7.105 ( -3.952 3.958 0.000) 5.593 7.105 ( 3.952 3.958 0.000) 5.593 7.215 ( -3.704 3.117 0.000) 4.841 7.215 ( 3.704 3.117 0.000) 4.841 7.423 ( -0.488 5.510 0.000) 5.532 7.423 ( 0.488 5.510 0.000) 5.532 7.611 ( -1.179 2.495 0.000) 2.760 7.611 ( 1.179 2.495 0.000) 2.760 7.656 ( -3.162 0.044 0.000) 3.163 7.656 ( 3.162 0.044 0.000) 3.163 7.920 ( -0.543 8.341 0.000) 8.359 7.920 ( 0.543 8.341 0.000) 8.359 8.524 ( -2.038 7.275 0.000) 7.555 8.524 ( 2.038 7.275 0.000) 7.555 9.806 ( -0.053 -2.682 0.000) 2.683 9.806 ( 0.053 -2.682 0.000) 2.683 10.160 ( -1.921 -1.070 0.000) 2.199 10.160 ( 1.921 -1.070 0.000) 2.199 11.103 ( -3.445 -12.843 0.000) 13.297 11.103 ( 3.445 -12.843 0.000) 13.297 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 22.060 0.000) 22.060 0.856 ( 0.000 21.186 0.000) 21.186 1.711 ( 0.000 18.612 0.000) 18.612 1.805 ( 0.000 18.905 0.000) 18.905 1.864 ( 0.000 -0.679 0.000) 0.679 1.866 ( 0.000 25.065 0.000) 25.065 1.911 ( 0.000 1.480 0.000) 1.480 2.422 ( 0.000 6.356 0.000) 6.356 2.454 ( 0.000 -1.267 0.000) 1.267 2.467 ( 0.000 -1.160 0.000) 1.160 2.511 ( 0.000 1.168 0.000) 1.168 2.545 ( 0.000 1.763 0.000) 1.763 2.625 ( 0.000 2.306 0.000) 2.306 2.692 ( 0.000 4.455 0.000) 4.455 2.930 ( 0.000 8.139 0.000) 8.139 2.997 ( 0.000 3.054 0.000) 3.054 3.023 ( 0.000 -1.919 0.000) 1.919 3.064 ( 0.000 6.509 0.000) 6.509 3.306 ( 0.000 2.031 0.000) 2.031 3.368 ( 0.000 13.105 0.000) 13.105 3.819 ( 0.000 -3.457 0.000) 3.457 3.836 ( 0.000 -3.702 0.000) 3.702 3.949 ( 0.000 -6.085 0.000) 6.085 4.384 ( 0.000 -6.953 0.000) 6.953 6.601 ( 0.000 -1.823 0.000) 1.823 6.601 ( 0.000 2.705 0.000) 2.705 6.847 ( 0.000 3.482 0.000) 3.482 7.092 ( 0.000 0.764 0.000) 0.764 7.122 ( 0.000 -0.919 0.000) 0.919 7.219 ( 0.000 -1.335 0.000) 1.335 7.299 ( 0.000 23.438 0.000) 23.438 7.394 ( 0.000 3.532 0.000) 3.532 7.505 ( 0.000 0.899 0.000) 0.899 7.560 ( 0.000 4.652 0.000) 4.652 7.656 ( 0.000 4.368 0.000) 4.368 7.667 ( 0.000 -1.672 0.000) 1.672 7.717 ( 0.000 4.555 0.000) 4.555 7.899 ( 0.000 6.308 0.000) 6.308 8.090 ( 0.000 7.202 0.000) 7.202 8.254 ( 0.000 20.098 0.000) 20.098 8.675 ( 0.000 11.693 0.000) 11.693 8.821 ( 0.000 2.266 0.000) 2.266 9.731 ( 0.000 -4.630 0.000) 4.630 9.731 ( 0.000 -4.468 0.000) 4.468 10.095 ( 0.000 -1.066 0.000) 1.066 10.172 ( 0.000 -2.152 0.000) 2.152 10.589 ( 0.000 -4.348 0.000) 4.348 10.911 ( 0.000 -12.501 0.000) 12.501 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 11.575 18.179 0.000) 21.551 0.990 ( 12.470 15.400 0.000) 19.815 1.536 ( -14.217 9.280 0.000) 16.977 1.580 ( -14.666 8.473 0.000) 16.937 1.915 ( 6.526 32.290 0.000) 32.943 1.998 ( 5.189 10.487 0.000) 11.700 2.048 ( 8.566 2.633 0.000) 8.962 2.411 ( -5.432 2.257 0.000) 5.882 2.429 ( 0.695 5.647 0.000) 5.689 2.467 ( -0.311 1.363 0.000) 1.398 2.512 ( 0.193 1.178 0.000) 1.193 2.543 ( -0.634 1.645 0.000) 1.763 2.572 ( -3.125 4.060 0.000) 5.124 2.644 ( -3.663 5.437 0.000) 6.555 2.958 ( 1.502 1.340 0.000) 2.013 2.992 ( -0.497 1.802 0.000) 1.870 3.043 ( 1.692 0.894 0.000) 1.913 3.133 ( 7.073 7.581 0.000) 10.369 3.178 ( -6.340 4.292 0.000) 7.656 3.435 ( -2.172 8.740 0.000) 9.006 3.720 ( 1.128 -3.947 0.000) 4.105 3.915 ( -3.504 -5.592 0.000) 6.599 4.026 ( 10.270 -4.741 0.000) 11.312 4.337 ( -4.706 -6.705 0.000) 8.192 6.589 ( -0.771 2.750 0.000) 2.856 6.595 ( -0.582 -0.726 0.000) 0.931 6.891 ( 4.008 2.824 0.000) 4.904 7.056 ( -3.237 0.765 0.000) 3.326 7.134 ( 1.210 0.775 0.000) 1.437 7.204 ( -1.482 -1.017 0.000) 1.797 7.328 ( 2.226 16.723 0.000) 16.871 7.384 ( -0.881 4.081 0.000) 4.175 7.509 ( 1.611 6.002 0.000) 6.214 7.605 ( 3.785 3.848 0.000) 5.397 7.640 ( -2.003 0.412 0.000) 2.045 7.670 ( 0.636 3.740 0.000) 3.794 7.709 ( -0.802 4.535 0.000) 4.606 7.837 ( -6.295 10.146 0.000) 11.940 8.098 ( 0.804 8.061 0.000) 8.101 8.192 ( -4.660 17.539 0.000) 18.148 8.681 ( 0.653 11.385 0.000) 11.404 8.761 ( -4.115 6.756 0.000) 7.911 9.731 ( 0.005 -4.627 0.000) 4.627 9.731 ( -0.003 -4.501 0.000) 4.501 10.106 ( 1.037 -1.241 0.000) 1.618 10.160 ( -1.172 -2.015 0.000) 2.331 10.699 ( 8.576 -9.316 0.000) 12.662 10.898 ( -1.556 -12.657 0.000) 12.752 ======================= Grid point 12 (9/105) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -15.503 11.846 0.000) 19.511 1.237 ( 15.503 11.846 0.000) 19.511 1.278 ( -15.831 9.314 0.000) 18.368 1.278 ( 15.831 9.314 0.000) 18.368 2.025 ( -2.729 18.003 0.000) 18.209 2.025 ( 2.729 18.003 0.000) 18.209 2.234 ( -10.925 9.741 0.000) 14.637 2.234 ( 10.925 9.741 0.000) 14.637 2.448 ( -1.258 4.082 0.000) 4.272 2.448 ( 1.258 4.082 0.000) 4.272 2.519 ( -0.627 1.241 0.000) 1.390 2.519 ( 0.627 1.241 0.000) 1.390 2.581 ( -2.481 3.811 0.000) 4.547 2.581 ( 2.481 3.811 0.000) 4.547 2.979 ( -0.853 -0.229 0.000) 0.883 2.979 ( 0.853 -0.229 0.000) 0.883 3.088 ( -3.220 2.258 0.000) 3.933 3.088 ( 3.220 2.258 0.000) 3.933 3.299 ( -9.158 7.455 0.000) 11.808 3.299 ( 9.158 7.455 0.000) 11.808 3.818 ( -6.165 -4.319 0.000) 7.528 3.818 ( 6.165 -4.319 0.000) 7.528 4.209 ( -8.343 -5.969 0.000) 10.259 4.209 ( 8.343 -5.969 0.000) 10.259 6.584 ( -0.301 1.500 0.000) 1.530 6.584 ( 0.301 1.500 0.000) 1.530 6.978 ( -4.559 1.805 0.000) 4.903 6.978 ( 4.559 1.805 0.000) 4.903 7.168 ( -2.078 0.201 0.000) 2.087 7.168 ( 2.078 0.201 0.000) 2.087 7.363 ( -1.353 7.058 0.000) 7.187 7.363 ( 1.353 7.058 0.000) 7.187 7.576 ( -4.391 6.353 0.000) 7.722 7.576 ( 4.391 6.353 0.000) 7.722 7.687 ( -0.062 5.994 0.000) 5.994 7.687 ( 0.062 5.994 0.000) 5.994 7.702 ( -5.253 7.845 0.000) 9.442 7.702 ( 5.253 7.845 0.000) 9.442 8.125 ( -2.212 11.241 0.000) 11.457 8.125 ( 2.212 11.241 0.000) 11.457 8.704 ( -1.863 10.199 0.000) 10.368 8.704 ( 1.863 10.199 0.000) 10.368 9.731 ( -0.013 -4.575 0.000) 4.575 9.731 ( 0.013 -4.575 0.000) 4.575 10.132 ( -1.557 -1.649 0.000) 2.268 10.132 ( 1.557 -1.649 0.000) 2.268 10.838 ( -5.056 -12.542 0.000) 13.522 10.838 ( 5.056 -12.542 0.000) 13.522 ======================= Grid point 15 (10/105) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 19.436 0.000) 19.436 1.269 ( 0.000 20.102 0.000) 20.102 1.875 ( 0.000 1.888 0.000) 1.888 1.886 ( 0.000 6.655 0.000) 6.655 1.966 ( 0.000 3.627 0.000) 3.627 2.026 ( 0.000 3.921 0.000) 3.921 2.384 ( 0.000 12.565 0.000) 12.565 2.409 ( 0.000 -3.503 0.000) 3.503 2.414 ( 0.000 -2.597 0.000) 2.597 2.491 ( 0.000 1.488 0.000) 1.488 2.592 ( 0.000 1.739 0.000) 1.739 2.621 ( 0.000 12.991 0.000) 12.991 2.753 ( 0.000 8.625 0.000) 8.625 2.781 ( 0.000 4.435 0.000) 4.435 3.005 ( 0.000 2.097 0.000) 2.097 3.030 ( 0.000 0.242 0.000) 0.242 3.035 ( 0.000 2.007 0.000) 2.007 3.299 ( 0.000 15.690 0.000) 15.690 3.376 ( 0.000 4.007 0.000) 4.007 3.635 ( 0.000 9.108 0.000) 9.108 3.755 ( 0.000 0.782 0.000) 0.782 3.796 ( 0.000 1.178 0.000) 1.178 3.824 ( 0.000 -5.695 0.000) 5.695 4.217 ( 0.000 -9.386 0.000) 9.386 6.590 ( 0.000 0.529 0.000) 0.529 6.674 ( 0.000 4.359 0.000) 4.359 6.929 ( 0.000 4.566 0.000) 4.566 7.067 ( 0.000 -3.800 0.000) 3.800 7.110 ( 0.000 1.121 0.000) 1.121 7.190 ( 0.000 -1.504 0.000) 1.504 7.447 ( 0.000 -1.140 0.000) 1.140 7.457 ( 0.000 2.044 0.000) 2.044 7.649 ( 0.000 0.771 0.000) 0.771 7.677 ( 0.000 7.121 0.000) 7.121 7.745 ( 0.000 4.297 0.000) 4.297 7.804 ( 0.000 12.216 0.000) 12.216 7.838 ( 0.000 14.597 0.000) 14.597 8.044 ( 0.000 7.941 0.000) 7.941 8.203 ( 0.000 4.314 0.000) 4.314 8.670 ( 0.000 20.093 0.000) 20.093 8.864 ( 0.000 1.769 0.000) 1.769 8.926 ( 0.000 12.029 0.000) 12.029 9.630 ( 0.000 -5.229 0.000) 5.229 9.631 ( 0.000 -5.497 0.000) 5.497 10.075 ( 0.000 -0.889 0.000) 0.889 10.130 ( 0.000 -1.763 0.000) 1.763 10.489 ( 0.000 -5.534 0.000) 5.534 10.668 ( 0.000 -11.095 0.000) 11.095 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 4.879 16.318 0.000) 17.032 1.335 ( 6.469 18.032 0.000) 19.158 1.687 ( -12.399 4.570 0.000) 13.214 1.720 ( -10.814 9.247 0.000) 14.229 2.093 ( 6.943 2.691 0.000) 7.447 2.159 ( 6.437 4.462 0.000) 7.832 2.369 ( -2.067 -3.906 0.000) 4.419 2.380 ( -0.726 7.096 0.000) 7.133 2.465 ( 3.331 -1.586 0.000) 3.689 2.502 ( 0.929 2.630 0.000) 2.789 2.598 ( 0.873 1.511 0.000) 1.745 2.638 ( 1.539 12.270 0.000) 12.366 2.741 ( -1.118 10.221 0.000) 10.282 2.759 ( -2.575 6.064 0.000) 6.588 2.977 ( -0.448 2.904 0.000) 2.938 3.023 ( -0.783 0.862 0.000) 1.164 3.077 ( 2.864 2.527 0.000) 3.819 3.292 ( -7.051 7.229 0.000) 10.098 3.356 ( 5.225 13.236 0.000) 14.230 3.618 ( -6.950 0.362 0.000) 6.959 3.692 ( 3.333 9.806 0.000) 10.356 3.808 ( -1.694 -4.153 0.000) 4.486 3.931 ( 7.868 -4.035 0.000) 8.843 4.179 ( -3.861 -8.824 0.000) 9.632 6.600 ( 0.978 1.145 0.000) 1.506 6.656 ( -1.515 3.915 0.000) 4.198 6.957 ( 2.525 3.633 0.000) 4.425 7.047 ( -1.617 -1.677 0.000) 2.330 7.129 ( 1.423 -0.077 0.000) 1.425 7.179 ( -1.027 -1.383 0.000) 1.722 7.441 ( -0.469 -0.211 0.000) 0.514 7.450 ( -0.683 1.806 0.000) 1.931 7.646 ( -0.152 1.757 0.000) 1.764 7.660 ( -1.098 6.765 0.000) 6.854 7.757 ( 1.137 4.414 0.000) 4.558 7.806 ( -0.683 5.597 0.000) 5.638 7.883 ( 4.580 18.033 0.000) 18.605 8.028 ( -1.674 9.044 0.000) 9.198 8.237 ( 3.651 6.143 0.000) 7.146 8.546 ( -10.124 15.486 0.000) 18.502 8.898 ( 1.857 7.515 0.000) 7.741 8.925 ( -0.107 11.813 0.000) 11.814 9.629 ( -0.050 -5.334 0.000) 5.334 9.630 ( -0.055 -5.505 0.000) 5.506 10.082 ( 0.717 -1.016 0.000) 1.244 10.121 ( -0.877 -1.625 0.000) 1.846 10.536 ( 4.077 -7.356 0.000) 8.410 10.657 ( -1.282 -10.872 0.000) 10.947 ======================= Grid point 17 (12/105) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -6.062 10.062 0.000) 11.747 1.446 ( 6.062 10.062 0.000) 11.747 1.521 ( -6.506 13.568 0.000) 15.047 1.521 ( 6.506 13.568 0.000) 15.047 2.195 ( -2.784 3.683 0.000) 4.617 2.195 ( 2.784 3.683 0.000) 4.617 2.357 ( -1.083 -0.616 0.000) 1.247 2.357 ( 1.083 -0.616 0.000) 1.247 2.510 ( -0.638 1.460 0.000) 1.593 2.510 ( 0.638 1.460 0.000) 1.593 2.640 ( -2.686 1.972 0.000) 3.332 2.640 ( 2.686 1.972 0.000) 3.332 2.718 ( -0.368 13.384 0.000) 13.389 2.718 ( 0.368 13.384 0.000) 13.389 2.998 ( -1.767 2.593 0.000) 3.138 2.998 ( 1.767 2.593 0.000) 3.138 3.157 ( -5.885 6.122 0.000) 8.492 3.157 ( 5.885 6.122 0.000) 8.492 3.478 ( -7.056 8.191 0.000) 10.811 3.478 ( 7.056 8.191 0.000) 10.811 3.760 ( -3.165 0.522 0.000) 3.208 3.760 ( 3.165 0.522 0.000) 3.208 4.074 ( -6.694 -7.105 0.000) 9.762 4.074 ( 6.694 -7.105 0.000) 9.762 6.625 ( -1.547 2.600 0.000) 3.026 6.625 ( 1.547 2.600 0.000) 3.026 7.008 ( -2.419 1.189 0.000) 2.696 7.008 ( 2.419 1.189 0.000) 2.696 7.156 ( -1.330 -0.860 0.000) 1.584 7.156 ( 1.330 -0.860 0.000) 1.584 7.438 ( -0.291 1.116 0.000) 1.153 7.438 ( 0.291 1.116 0.000) 1.153 7.647 ( -0.267 4.140 0.000) 4.148 7.647 ( 0.267 4.140 0.000) 4.148 7.784 ( -1.443 4.833 0.000) 5.044 7.784 ( 1.443 4.833 0.000) 5.044 7.974 ( -4.040 13.011 0.000) 13.624 7.974 ( 4.040 13.011 0.000) 13.624 8.354 ( -8.528 11.115 0.000) 14.009 8.354 ( 8.528 11.115 0.000) 14.009 8.920 ( -0.566 10.797 0.000) 10.812 8.920 ( 0.566 10.797 0.000) 10.812 9.629 ( -0.040 -5.475 0.000) 5.475 9.629 ( 0.040 -5.475 0.000) 5.475 10.100 ( -1.122 -1.312 0.000) 1.726 10.100 ( 1.122 -1.312 0.000) 1.726 10.613 ( -3.331 -9.812 0.000) 10.362 10.613 ( 3.331 -9.812 0.000) 10.362 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.000 16.390 0.000) 16.390 1.630 ( 0.000 15.464 0.000) 15.464 1.943 ( 0.000 4.854 0.000) 4.854 2.001 ( 0.000 4.410 0.000) 4.410 2.033 ( 0.000 -1.769 0.000) 1.769 2.041 ( 0.000 3.446 0.000) 3.446 2.347 ( 0.000 -2.620 0.000) 2.620 2.353 ( 0.000 -3.304 0.000) 3.304 2.479 ( 0.000 1.849 0.000) 1.849 2.512 ( 0.000 1.031 0.000) 1.031 2.602 ( 0.000 -0.893 0.000) 0.893 2.748 ( 0.000 -1.664 0.000) 1.664 2.864 ( 0.000 3.323 0.000) 3.323 2.896 ( 0.000 5.217 0.000) 5.217 3.018 ( 0.000 -1.121 0.000) 1.121 3.044 ( 0.000 -0.705 0.000) 0.705 3.219 ( 0.000 14.925 0.000) 14.925 3.407 ( 0.000 -1.004 0.000) 1.004 3.591 ( 0.000 -5.639 0.000) 5.639 3.611 ( 0.000 13.841 0.000) 13.841 3.757 ( 0.000 0.215 0.000) 0.215 3.928 ( 0.000 11.020 0.000) 11.020 3.975 ( 0.000 13.087 0.000) 13.087 4.026 ( 0.000 -8.891 0.000) 8.891 6.614 ( 0.000 1.705 0.000) 1.705 6.770 ( 0.000 5.045 0.000) 5.045 6.977 ( 0.000 -4.989 0.000) 4.989 7.022 ( 0.000 4.307 0.000) 4.307 7.138 ( 0.000 1.723 0.000) 1.723 7.163 ( 0.000 -1.036 0.000) 1.036 7.415 ( 0.000 -1.971 0.000) 1.971 7.451 ( 0.000 -2.257 0.000) 2.257 7.718 ( 0.000 5.413 0.000) 5.413 7.823 ( 0.000 3.296 0.000) 3.296 7.841 ( 0.000 8.776 0.000) 8.776 7.929 ( 0.000 5.491 0.000) 5.491 8.179 ( 0.000 13.731 0.000) 13.731 8.215 ( 0.000 9.047 0.000) 9.047 8.280 ( 0.000 3.697 0.000) 3.697 8.884 ( 0.000 -0.061 0.000) 0.061 9.025 ( 0.000 14.730 0.000) 14.730 9.117 ( 0.000 6.416 0.000) 6.416 9.512 ( 0.000 -6.342 0.000) 6.342 9.530 ( 0.000 -4.525 0.000) 4.525 10.062 ( 0.000 -0.285 0.000) 0.285 10.112 ( 0.000 0.172 0.000) 0.172 10.371 ( 0.000 -6.047 0.000) 6.047 10.477 ( 0.000 -7.876 0.000) 7.876 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.380 14.813 0.000) 14.818 1.660 ( 2.642 13.714 0.000) 13.966 1.796 ( -7.196 6.468 0.000) 9.676 1.894 ( -6.508 7.626 0.000) 10.025 2.133 ( 5.177 0.987 0.000) 5.270 2.204 ( 9.752 0.563 0.000) 9.768 2.298 ( -3.141 -2.670 0.000) 4.123 2.411 ( 4.090 -3.521 0.000) 5.397 2.436 ( -3.402 1.932 0.000) 3.912 2.527 ( 0.426 0.333 0.000) 0.541 2.603 ( 0.219 -0.969 0.000) 0.994 2.707 ( -4.006 -2.679 0.000) 4.819 2.872 ( 0.617 3.672 0.000) 3.724 2.893 ( -0.330 5.028 0.000) 5.039 3.022 ( 0.372 -0.749 0.000) 0.836 3.038 ( -0.471 0.035 0.000) 0.472 3.258 ( 3.671 12.862 0.000) 13.375 3.391 ( -1.740 0.879 0.000) 1.950 3.586 ( -1.527 8.281 0.000) 8.420 3.587 ( -0.540 -2.045 0.000) 2.115 3.810 ( 4.344 5.757 0.000) 7.212 3.929 ( 0.537 6.440 0.000) 6.463 3.955 ( -2.102 12.422 0.000) 12.599 4.004 ( -2.026 -7.497 0.000) 7.766 6.634 ( 1.999 2.137 0.000) 2.926 6.742 ( -2.553 4.482 0.000) 5.158 6.986 ( 0.975 -4.017 0.000) 4.134 7.026 ( -0.041 2.568 0.000) 2.569 7.146 ( 0.633 1.622 0.000) 1.742 7.157 ( -0.291 -0.314 0.000) 0.428 7.417 ( 0.258 -1.844 0.000) 1.862 7.443 ( -0.767 -2.022 0.000) 2.163 7.730 ( 1.186 5.796 0.000) 5.916 7.813 ( -2.428 8.214 0.000) 8.566 7.839 ( 1.616 3.621 0.000) 3.965 7.914 ( -1.443 5.132 0.000) 5.331 8.177 ( 0.351 10.796 0.000) 10.802 8.209 ( -0.599 9.096 0.000) 9.116 8.364 ( 7.594 6.654 0.000) 10.097 8.754 ( -10.169 5.311 0.000) 11.472 9.078 ( 2.841 9.717 0.000) 10.124 9.117 ( -0.025 6.727 0.000) 6.727 9.512 ( 0.095 -6.171 0.000) 6.172 9.525 ( -0.451 -4.873 0.000) 4.894 10.069 ( 0.667 -0.193 0.000) 0.695 10.104 ( -0.748 0.163 0.000) 0.765 10.396 ( 2.243 -6.540 0.000) 6.913 10.469 ( -0.862 -7.787 0.000) 7.834 ======================= Grid point 22 (15/105) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -2.670 10.703 0.000) 11.031 1.658 ( 2.670 10.703 0.000) 11.031 1.777 ( -4.891 11.359 0.000) 12.367 1.777 ( 4.891 11.359 0.000) 12.367 2.225 ( -4.295 -0.998 0.000) 4.410 2.225 ( 4.295 -0.998 0.000) 4.410 2.353 ( -5.548 1.717 0.000) 5.807 2.353 ( 5.548 1.717 0.000) 5.807 2.501 ( -3.853 -2.468 0.000) 4.576 2.501 ( 3.853 -2.468 0.000) 4.576 2.626 ( -2.934 -2.204 0.000) 3.669 2.626 ( 2.934 -2.204 0.000) 3.669 2.884 ( -0.591 4.463 0.000) 4.502 2.884 ( 0.591 4.463 0.000) 4.502 3.030 ( -0.374 -0.034 0.000) 0.375 3.030 ( 0.374 -0.034 0.000) 0.375 3.337 ( -3.828 6.953 0.000) 7.937 3.337 ( 3.828 6.953 0.000) 7.937 3.574 ( -0.361 3.510 0.000) 3.529 3.574 ( 0.361 3.510 0.000) 3.529 3.894 ( -3.991 10.460 0.000) 11.196 3.894 ( 3.991 10.460 0.000) 11.196 3.958 ( -2.319 -2.508 0.000) 3.416 3.958 ( 2.319 -2.508 0.000) 3.416 6.685 ( -3.028 3.250 0.000) 4.442 6.685 ( 3.028 3.250 0.000) 4.442 7.011 ( -1.313 -1.312 0.000) 1.857 7.011 ( 1.313 -1.312 0.000) 1.857 7.155 ( -0.183 1.167 0.000) 1.181 7.155 ( 0.183 1.167 0.000) 1.181 7.426 ( -0.756 -1.755 0.000) 1.911 7.426 ( 0.756 -1.755 0.000) 1.911 7.764 ( -2.333 6.908 0.000) 7.292 7.764 ( 2.333 6.908 0.000) 7.292 7.878 ( -2.143 4.366 0.000) 4.864 7.878 ( 2.143 4.366 0.000) 4.864 8.193 ( -0.996 9.413 0.000) 9.465 8.193 ( 0.996 9.413 0.000) 9.465 8.546 ( -10.686 7.437 0.000) 13.019 8.546 ( 10.686 7.437 0.000) 13.019 9.111 ( -0.768 7.668 0.000) 7.706 9.111 ( 0.768 7.668 0.000) 7.706 9.516 ( -0.335 -5.623 0.000) 5.633 9.516 ( 0.335 -5.623 0.000) 5.633 10.086 ( -1.031 0.037 0.000) 1.032 10.086 ( 1.031 0.037 0.000) 1.032 10.441 ( -2.039 -7.360 0.000) 7.637 10.441 ( 2.039 -7.360 0.000) 7.637 ======================= Grid point 25 (16/105) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 0.000 8.870 0.000) 8.870 1.915 ( 0.000 11.635 0.000) 11.635 1.996 ( 0.000 -1.362 0.000) 1.362 2.058 ( 0.000 1.366 0.000) 1.366 2.063 ( 0.000 6.667 0.000) 6.667 2.101 ( 0.000 3.131 0.000) 3.131 2.294 ( 0.000 -1.919 0.000) 1.919 2.297 ( 0.000 -2.565 0.000) 2.565 2.488 ( 0.000 -1.603 0.000) 1.603 2.543 ( 0.000 2.091 0.000) 2.091 2.553 ( 0.000 -3.980 0.000) 3.980 2.676 ( 0.000 -3.807 0.000) 3.807 2.920 ( 0.000 2.253 0.000) 2.253 2.968 ( 0.000 2.151 0.000) 2.151 2.996 ( 0.000 -0.820 0.000) 0.820 3.019 ( 0.000 -1.608 0.000) 1.608 3.375 ( 0.000 -1.336 0.000) 1.336 3.421 ( 0.000 5.524 0.000) 5.524 3.484 ( 0.000 -4.668 0.000) 4.668 3.747 ( 0.000 -3.361 0.000) 3.361 3.861 ( 0.000 8.730 0.000) 8.730 3.953 ( 0.000 4.469 0.000) 4.469 4.159 ( 0.000 10.417 0.000) 10.417 4.201 ( 0.000 9.024 0.000) 9.024 6.654 ( 0.000 2.256 0.000) 2.256 6.870 ( 0.000 4.828 0.000) 4.828 6.874 ( 0.000 -5.074 0.000) 5.074 7.069 ( 0.000 -0.376 0.000) 0.376 7.175 ( 0.000 2.827 0.000) 2.827 7.181 ( 0.000 2.551 0.000) 2.551 7.368 ( 0.000 -2.660 0.000) 2.660 7.391 ( 0.000 -3.356 0.000) 3.356 7.826 ( 0.000 4.599 0.000) 4.599 7.876 ( 0.000 2.017 0.000) 2.017 8.005 ( 0.000 6.792 0.000) 6.792 8.029 ( 0.000 4.287 0.000) 4.287 8.362 ( 0.000 4.596 0.000) 4.596 8.385 ( 0.000 7.115 0.000) 7.115 8.405 ( 0.000 9.827 0.000) 9.827 8.854 ( 0.000 -3.016 0.000) 3.016 9.186 ( 0.000 1.045 0.000) 1.045 9.254 ( 0.000 8.224 0.000) 8.224 9.379 ( 0.000 -6.707 0.000) 6.707 9.455 ( 0.000 -2.850 0.000) 2.850 10.065 ( 0.000 0.606 0.000) 0.606 10.138 ( 0.000 2.208 0.000) 2.208 10.252 ( 0.000 -5.673 0.000) 5.673 10.348 ( 0.000 -5.179 0.000) 5.179 ======================= Grid point 26 (17/105) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -1.047 7.251 0.000) 7.326 1.896 ( -1.765 11.306 0.000) 11.443 1.943 ( -0.678 7.145 0.000) 7.177 2.016 ( -2.918 4.588 0.000) 5.438 2.136 ( 2.429 -0.114 0.000) 2.432 2.197 ( 6.101 -0.724 0.000) 6.144 2.259 ( 1.402 -2.135 0.000) 2.554 2.351 ( 3.034 -1.220 0.000) 3.270 2.465 ( -2.243 -1.067 0.000) 2.484 2.525 ( -2.583 0.418 0.000) 2.616 2.560 ( 0.742 -3.209 0.000) 3.293 2.635 ( -3.543 -3.083 0.000) 4.697 2.929 ( 0.839 2.226 0.000) 2.378 2.962 ( -0.573 2.122 0.000) 2.198 3.004 ( 0.602 -0.875 0.000) 1.062 3.019 ( -0.052 -1.427 0.000) 1.428 3.377 ( 0.313 -0.789 0.000) 0.849 3.411 ( -0.949 3.698 0.000) 3.818 3.514 ( 2.846 -4.465 0.000) 5.295 3.675 ( -4.913 -1.722 0.000) 5.206 3.935 ( 4.878 5.872 0.000) 7.634 3.997 ( 4.511 7.147 0.000) 8.452 4.119 ( -3.742 10.059 0.000) 10.733 4.176 ( -2.719 8.809 0.000) 9.219 6.682 ( 2.746 2.563 0.000) 3.756 6.831 ( -3.558 4.344 0.000) 5.615 6.898 ( 2.421 -4.552 0.000) 5.156 7.035 ( -3.238 -1.535 0.000) 3.583 7.188 ( 0.983 3.076 0.000) 3.229 7.189 ( 0.691 2.590 0.000) 2.680 7.372 ( 0.350 -2.599 0.000) 2.623 7.389 ( -0.256 -3.021 0.000) 3.032 7.843 ( 1.838 4.888 0.000) 5.222 7.899 ( 2.248 2.299 0.000) 3.216 7.966 ( -3.414 6.372 0.000) 7.229 8.006 ( -2.183 3.852 0.000) 4.427 8.350 ( 0.570 7.312 0.000) 7.334 8.397 ( -0.874 9.568 0.000) 9.608 8.483 ( 7.431 4.560 0.000) 8.718 8.793 ( -6.021 -0.899 0.000) 6.087 9.195 ( 0.888 1.509 0.000) 1.751 9.242 ( -1.136 6.042 0.000) 6.148 9.385 ( 0.715 -6.321 0.000) 6.361 9.439 ( -1.469 -3.517 0.000) 3.811 10.076 ( 1.151 1.006 0.000) 1.529 10.129 ( -0.918 2.115 0.000) 2.305 10.274 ( 1.997 -5.549 0.000) 5.898 10.340 ( -0.838 -5.244 0.000) 5.311 ======================= Grid point 27 (18/105) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -1.039 9.497 0.000) 9.554 1.864 ( 1.039 9.497 0.000) 9.554 1.964 ( -2.231 7.097 0.000) 7.439 1.964 ( 2.231 7.097 0.000) 7.439 2.184 ( -2.443 -2.173 0.000) 3.269 2.184 ( 2.443 -2.173 0.000) 3.269 2.410 ( -4.166 -4.715 0.000) 6.292 2.410 ( 4.166 -4.715 0.000) 6.292 2.413 ( -7.590 2.192 0.000) 7.901 2.413 ( 7.590 2.192 0.000) 7.901 2.582 ( -1.661 -1.998 0.000) 2.598 2.582 ( 1.661 -1.998 0.000) 2.598 2.947 ( -0.918 2.169 0.000) 2.355 2.947 ( 0.918 2.169 0.000) 2.355 3.014 ( -0.412 -1.113 0.000) 1.187 3.014 ( 0.412 -1.113 0.000) 1.187 3.390 ( -1.012 0.890 0.000) 1.348 3.390 ( 1.012 0.890 0.000) 1.348 3.585 ( -4.308 -3.360 0.000) 5.464 3.585 ( 4.308 -3.360 0.000) 5.464 4.030 ( -5.033 8.339 0.000) 9.740 4.030 ( 5.033 8.339 0.000) 9.740 4.098 ( -5.101 8.337 0.000) 9.774 4.098 ( 5.101 8.337 0.000) 9.774 6.752 ( -4.222 3.378 0.000) 5.407 6.752 ( 4.222 3.378 0.000) 5.407 6.961 ( -3.884 -3.227 0.000) 5.049 6.961 ( 3.884 -3.227 0.000) 5.049 7.198 ( -0.057 2.843 0.000) 2.843 7.198 ( 0.057 2.843 0.000) 2.843 7.381 ( -0.532 -2.631 0.000) 2.684 7.381 ( 0.532 -2.631 0.000) 2.684 7.896 ( -3.448 5.613 0.000) 6.587 7.896 ( 3.448 5.613 0.000) 6.587 7.953 ( -3.039 3.003 0.000) 4.272 7.953 ( 3.039 3.003 0.000) 4.272 8.373 ( -1.476 8.759 0.000) 8.883 8.373 ( 1.476 8.759 0.000) 8.883 8.644 ( -8.648 2.379 0.000) 8.969 8.644 ( 8.648 2.379 0.000) 8.969 9.217 ( -1.322 3.063 0.000) 3.336 9.217 ( 1.322 3.063 0.000) 3.336 9.407 ( -1.564 -5.099 0.000) 5.334 9.407 ( 1.564 -5.099 0.000) 5.334 10.104 ( -1.510 1.717 0.000) 2.287 10.104 ( 1.510 1.717 0.000) 2.287 10.314 ( -1.836 -5.382 0.000) 5.686 10.314 ( 1.836 -5.382 0.000) 5.686 ======================= Grid point 30 (19/105) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.000 1.780 0.000) 1.780 1.986 ( 0.000 0.241 0.000) 0.241 2.048 ( 0.000 2.089 0.000) 2.089 2.066 ( 0.000 -0.275 0.000) 0.275 2.175 ( 0.000 3.891 0.000) 3.891 2.224 ( 0.000 8.859 0.000) 8.859 2.241 ( 0.000 -3.010 0.000) 3.010 2.321 ( 0.000 5.036 0.000) 5.036 2.395 ( 0.000 -7.312 0.000) 7.312 2.447 ( 0.000 -6.332 0.000) 6.332 2.588 ( 0.000 2.149 0.000) 2.149 2.625 ( 0.000 -1.673 0.000) 1.673 2.957 ( 0.000 1.511 0.000) 1.511 2.986 ( 0.000 -1.520 0.000) 1.520 2.989 ( 0.000 0.013 0.000) 0.013 2.990 ( 0.000 0.220 0.000) 0.220 3.370 ( 0.000 0.882 0.000) 0.882 3.408 ( 0.000 -2.861 0.000) 2.861 3.513 ( 0.000 4.768 0.000) 4.768 3.626 ( 0.000 -6.380 0.000) 6.380 4.015 ( 0.000 5.150 0.000) 5.150 4.045 ( 0.000 2.179 0.000) 2.179 4.311 ( 0.000 4.270 0.000) 4.270 4.324 ( 0.000 2.904 0.000) 2.904 6.707 ( 0.000 3.041 0.000) 3.041 6.779 ( 0.000 -4.219 0.000) 4.219 6.960 ( 0.000 4.037 0.000) 4.037 7.030 ( 0.000 -2.897 0.000) 2.897 7.240 ( 0.000 3.303 0.000) 3.303 7.248 ( 0.000 3.825 0.000) 3.825 7.308 ( 0.000 -3.302 0.000) 3.302 7.322 ( 0.000 -3.543 0.000) 3.543 7.890 ( 0.000 1.792 0.000) 1.792 7.902 ( 0.000 0.477 0.000) 0.477 8.092 ( 0.000 1.832 0.000) 1.832 8.093 ( 0.000 1.991 0.000) 1.991 8.452 ( 0.000 3.496 0.000) 3.496 8.473 ( 0.000 1.649 0.000) 1.649 8.599 ( 0.000 9.124 0.000) 9.124 8.759 ( 0.000 -6.491 0.000) 6.491 9.197 ( 0.000 1.122 0.000) 1.122 9.257 ( 0.000 -4.897 0.000) 4.897 9.367 ( 0.000 3.387 0.000) 3.387 9.412 ( 0.000 -1.707 0.000) 1.707 10.090 ( 0.000 2.052 0.000) 2.052 10.152 ( 0.000 -4.101 0.000) 4.101 10.192 ( 0.000 3.090 0.000) 3.090 10.260 ( 0.000 -3.735 0.000) 3.735 ======================= Grid point 31 (20/105) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 1.363 4.336 0.000) 4.545 2.028 ( 2.170 0.575 0.000) 2.245 2.041 ( -0.622 3.025 0.000) 3.088 2.069 ( 0.049 -0.006 0.000) 0.050 2.188 ( 0.453 0.070 0.000) 0.458 2.197 ( -2.240 7.479 0.000) 7.807 2.209 ( -0.336 -2.003 0.000) 2.031 2.361 ( -3.353 -7.639 0.000) 8.342 2.384 ( 4.885 3.933 0.000) 6.272 2.478 ( 2.841 -4.778 0.000) 5.559 2.562 ( -2.801 2.176 0.000) 3.546 2.597 ( -2.551 -1.366 0.000) 2.893 2.964 ( 0.638 1.353 0.000) 1.495 2.986 ( -0.295 0.480 0.000) 0.564 2.990 ( 0.282 -1.340 0.000) 1.369 2.992 ( 0.162 -0.314 0.000) 0.353 3.383 ( 1.365 1.435 0.000) 1.980 3.432 ( 2.400 -3.384 0.000) 4.148 3.481 ( -2.851 4.051 0.000) 4.954 3.580 ( -4.039 -5.559 0.000) 6.871 4.069 ( 4.946 5.015 0.000) 7.044 4.100 ( 4.998 2.084 0.000) 5.415 4.273 ( -3.701 4.581 0.000) 5.889 4.293 ( -3.169 2.583 0.000) 4.088 6.739 ( 3.188 3.149 0.000) 4.481 6.811 ( 3.123 -4.028 0.000) 5.096 6.914 ( -4.205 3.851 0.000) 5.702 6.985 ( -4.193 -3.129 0.000) 5.232 7.248 ( 0.692 3.220 0.000) 3.293 7.257 ( 0.618 3.551 0.000) 3.605 7.313 ( 0.500 -3.182 0.000) 3.221 7.326 ( 0.206 -3.271 0.000) 3.277 7.913 ( 2.363 2.044 0.000) 3.124 7.928 ( 2.568 0.465 0.000) 2.610 8.053 ( -3.586 2.244 0.000) 4.230 8.061 ( -2.981 1.364 0.000) 3.278 8.478 ( 2.669 5.045 0.000) 5.707 8.531 ( 5.096 -0.023 0.000) 5.096 8.583 ( -1.639 8.621 0.000) 8.776 8.728 ( -3.178 -5.429 0.000) 6.291 9.213 ( 1.637 1.278 0.000) 2.077 9.271 ( 1.512 -4.604 0.000) 4.846 9.328 ( -3.417 3.026 0.000) 4.564 9.381 ( -2.967 -2.541 0.000) 3.906 10.111 ( 1.911 2.471 0.000) 3.124 10.177 ( 2.214 -4.091 0.000) 4.652 10.182 ( -1.061 3.084 0.000) 3.261 10.251 ( -0.994 -3.811 0.000) 3.939 ======================= Grid point 32 (21/105) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -1.863 5.216 0.000) 5.538 2.019 ( 1.863 5.216 0.000) 5.538 2.057 ( -1.164 1.670 0.000) 2.036 2.057 ( 1.164 1.670 0.000) 2.036 2.170 ( -0.105 2.167 0.000) 2.170 2.170 ( 0.105 2.167 0.000) 2.170 2.276 ( -4.886 -6.825 0.000) 8.393 2.276 ( 4.886 -6.825 0.000) 8.393 2.483 ( -5.001 3.242 0.000) 5.960 2.483 ( 5.001 3.242 0.000) 5.960 2.540 ( -3.238 -2.385 0.000) 4.022 2.540 ( 3.238 -2.385 0.000) 4.022 2.977 ( -0.609 0.945 0.000) 1.125 2.977 ( 0.609 0.945 0.000) 1.125 2.994 ( -0.055 -0.878 0.000) 0.880 2.994 ( 0.055 -0.878 0.000) 0.880 3.423 ( -2.763 2.680 0.000) 3.850 3.423 ( 2.763 2.680 0.000) 3.850 3.497 ( -4.099 -4.435 0.000) 6.039 3.497 ( 4.099 -4.435 0.000) 6.039 4.178 ( -5.740 4.947 0.000) 7.578 4.178 ( 5.740 4.947 0.000) 7.578 4.207 ( -5.436 2.153 0.000) 5.847 4.207 ( 5.436 2.153 0.000) 5.847 6.821 ( -4.958 3.458 0.000) 6.045 6.821 ( 4.958 3.458 0.000) 6.045 6.891 ( -4.924 -3.580 0.000) 6.087 6.891 ( 4.924 -3.580 0.000) 6.087 7.260 ( -0.379 3.205 0.000) 3.227 7.260 ( 0.379 3.205 0.000) 3.227 7.324 ( -0.432 -3.045 0.000) 3.076 7.324 ( 0.432 -3.045 0.000) 3.076 7.977 ( -3.941 2.359 0.000) 4.593 7.977 ( 3.941 2.359 0.000) 4.593 7.992 ( -3.750 0.711 0.000) 3.816 7.992 ( 3.750 0.711 0.000) 3.816 8.537 ( -3.001 7.137 0.000) 7.742 8.537 ( 3.001 7.137 0.000) 7.742 8.640 ( -5.563 -2.784 0.000) 6.221 8.640 ( 5.563 -2.784 0.000) 6.221 9.260 ( -3.168 1.990 0.000) 3.741 9.260 ( 3.168 1.990 0.000) 3.741 9.317 ( -3.140 -3.779 0.000) 4.913 9.317 ( 3.140 -3.779 0.000) 4.913 10.152 ( -2.014 2.946 0.000) 3.569 10.152 ( 2.014 2.946 0.000) 3.569 10.221 ( -2.061 -3.975 0.000) 4.478 10.221 ( 2.061 -3.975 0.000) 4.478 ======================= Grid point 65 (22/105) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 0.000 0.000 19.635) 19.635 0.566 ( 0.000 0.000 26.735) 26.735 0.953 ( 0.000 0.000 45.829) 45.829 1.104 ( 0.000 0.000 3.870) 3.870 1.543 ( 0.000 0.000 -9.447) 9.447 1.909 ( 0.000 0.000 -5.340) 5.340 1.919 ( 0.000 0.000 0.359) 0.359 2.066 ( 0.000 0.000 -0.875) 0.875 2.391 ( 0.000 0.000 -9.075) 9.075 2.456 ( 0.000 0.000 -2.762) 2.762 2.462 ( 0.000 0.000 -2.976) 2.976 2.493 ( 0.000 0.000 -5.416) 5.416 2.543 ( 0.000 0.000 6.437) 6.437 2.661 ( 0.000 0.000 3.285) 3.285 2.952 ( 0.000 0.000 1.925) 1.925 2.972 ( 0.000 0.000 11.133) 11.133 2.974 ( 0.000 0.000 1.698) 1.698 3.078 ( 0.000 0.000 0.287) 0.287 3.134 ( 0.000 0.000 4.975) 4.975 3.332 ( 0.000 0.000 3.168) 3.168 3.751 ( 0.000 0.000 -11.760) 11.760 3.920 ( 0.000 0.000 -2.263) 2.263 4.181 ( 0.000 0.000 4.372) 4.372 4.471 ( 0.000 0.000 -5.432) 5.432 6.352 ( 0.000 0.000 4.255) 4.255 6.589 ( 0.000 0.000 2.659) 2.659 6.590 ( 0.000 0.000 3.037) 3.037 6.708 ( 0.000 0.000 -5.574) 5.574 7.047 ( 0.000 0.000 0.389) 0.389 7.132 ( 0.000 0.000 -3.658) 3.658 7.214 ( 0.000 0.000 -2.829) 2.829 7.274 ( 0.000 0.000 -1.020) 1.020 7.354 ( 0.000 0.000 2.080) 2.080 7.505 ( 0.000 0.000 -4.106) 4.106 7.512 ( 0.000 0.000 -1.041) 1.041 7.528 ( 0.000 0.000 -6.918) 6.918 7.660 ( 0.000 0.000 1.940) 1.940 7.713 ( 0.000 0.000 0.255) 0.255 7.835 ( 0.000 0.000 6.774) 6.774 7.861 ( 0.000 0.000 4.248) 4.248 7.884 ( 0.000 0.000 2.508) 2.508 8.890 ( 0.000 0.000 -9.042) 9.042 9.794 ( 0.000 0.000 -3.428) 3.428 9.838 ( 0.000 0.000 -1.001) 1.001 10.201 ( 0.000 0.000 7.056) 7.056 10.591 ( 0.000 0.000 -1.824) 1.824 10.667 ( 0.000 0.000 -1.632) 1.632 11.140 ( 0.000 0.000 -8.501) 8.501 ======================= Grid point 66 (23/105) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 12.237 0.000 13.781) 18.430 0.591 ( 11.151 0.000 16.893) 20.242 1.021 ( -8.154 0.000 4.868) 9.496 1.299 ( 11.737 0.000 21.520) 24.512 1.341 ( -2.081 0.000 5.578) 5.953 1.948 ( 2.587 0.000 0.104) 2.589 2.023 ( 7.766 0.000 -7.795) 11.003 2.049 ( -1.692 0.000 -0.738) 1.846 2.323 ( -10.427 0.000 1.163) 10.492 2.352 ( -11.897 0.000 3.572) 12.422 2.457 ( 0.096 0.000 -2.797) 2.799 2.461 ( -0.074 0.000 -2.946) 2.947 2.558 ( 4.764 0.000 -2.540) 5.399 2.731 ( -1.326 0.000 4.823) 5.002 2.937 ( 2.854 0.000 -1.285) 3.130 2.955 ( 0.322 0.000 1.889) 1.916 2.971 ( -0.319 0.000 1.728) 1.758 3.067 ( -1.351 0.000 -0.553) 1.460 3.161 ( 2.097 0.000 2.972) 3.637 3.333 ( -4.206 0.000 -0.270) 4.215 3.778 ( 6.612 0.000 -2.254) 6.985 4.000 ( 2.633 0.000 -3.497) 4.378 4.189 ( 2.767 0.000 1.914) 3.364 4.434 ( -4.230 0.000 -5.979) 7.324 6.380 ( 2.785 0.000 4.121) 4.974 6.544 ( -4.191 0.000 3.285) 5.325 6.649 ( 4.131 0.000 -2.294) 4.725 6.715 ( 0.458 0.000 -5.467) 5.486 7.090 ( 3.894 0.000 0.122) 3.896 7.106 ( -1.573 0.000 -2.731) 3.152 7.183 ( -4.666 0.000 -0.032) 4.666 7.246 ( -2.760 0.000 -0.843) 2.885 7.326 ( 1.011 0.000 2.808) 2.985 7.452 ( -4.669 0.000 2.171) 5.150 7.509 ( 0.442 0.000 -4.578) 4.599 7.526 ( -0.187 0.000 -6.432) 6.435 7.601 ( 2.466 0.000 1.596) 2.937 7.708 ( -1.655 0.000 -0.047) 1.655 7.865 ( 0.320 0.000 3.974) 3.986 7.881 ( -0.319 0.000 2.745) 2.763 8.143 ( 17.294 0.000 -3.676) 17.680 8.695 ( -14.270 0.000 -0.100) 14.270 9.805 ( 0.716 0.000 -3.088) 3.170 9.829 ( -0.650 0.000 -1.258) 1.416 10.217 ( 1.746 0.000 7.071) 7.283 10.362 ( -7.230 0.000 8.804) 11.392 10.978 ( 11.237 0.000 -16.677) 20.110 11.135 ( -0.662 0.000 -9.604) 9.627 ======================= Grid point 67 (24/105) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -12.848 0.000 7.905) 15.085 0.812 ( 12.848 0.000 7.905) 15.085 0.939 ( -21.111 0.000 -0.810) 21.127 0.939 ( 21.111 0.000 -0.810) 21.127 1.855 ( -26.475 0.000 21.627) 34.185 1.855 ( 26.475 0.000 21.627) 34.185 2.004 ( -2.860 0.000 -0.370) 2.884 2.004 ( 2.860 0.000 -0.370) 2.884 2.212 ( -6.932 0.000 -6.785) 9.700 2.212 ( 6.932 0.000 -6.785) 9.700 2.459 ( -0.120 0.000 -2.874) 2.877 2.459 ( 0.120 0.000 -2.874) 2.877 2.659 ( -4.962 0.000 2.142) 5.404 2.659 ( 4.962 0.000 2.142) 5.404 2.963 ( -0.454 0.000 1.806) 1.862 2.963 ( 0.454 0.000 1.806) 1.862 3.018 ( -3.809 0.000 -3.872) 5.432 3.018 ( 3.809 0.000 -3.872) 5.432 3.224 ( -4.881 0.000 1.152) 5.015 3.224 ( 4.881 0.000 1.152) 5.015 3.937 ( -7.461 0.000 0.605) 7.485 3.937 ( 7.461 0.000 0.605) 7.485 4.312 ( -7.762 0.000 -4.445) 8.945 4.312 ( 7.762 0.000 -4.445) 8.945 6.454 ( -4.617 0.000 3.754) 5.951 6.454 ( 4.617 0.000 3.754) 5.951 6.708 ( -1.622 0.000 -4.833) 5.098 6.708 ( 1.622 0.000 -4.833) 5.098 7.106 ( -2.110 0.000 -0.029) 2.110 7.106 ( 2.110 0.000 -0.029) 2.110 7.175 ( -4.353 0.000 -0.401) 4.372 7.175 ( 4.353 0.000 -0.401) 4.372 7.378 ( -3.346 0.000 1.548) 3.687 7.378 ( 3.346 0.000 1.548) 3.687 7.519 ( -0.511 0.000 -5.494) 5.518 7.519 ( 0.511 0.000 -5.494) 5.518 7.661 ( -3.015 0.000 0.201) 3.022 7.661 ( 3.015 0.000 0.201) 3.022 7.873 ( -0.465 0.000 3.340) 3.372 7.873 ( 0.465 0.000 3.340) 3.372 8.431 ( -13.423 0.000 -0.987) 13.459 8.431 ( 13.423 0.000 -0.987) 13.459 9.817 ( -0.579 0.000 -2.131) 2.208 9.817 ( 0.579 0.000 -2.131) 2.208 10.267 ( -3.473 0.000 7.608) 8.363 10.267 ( 3.473 0.000 7.608) 8.363 11.102 ( -3.211 0.000 -12.825) 13.221 11.102 ( 3.211 0.000 -12.825) 13.221 ======================= Grid point 70 (25/105) ======================= q-point: ( 0.00 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.000 10.872 19.416) 22.252 0.743 ( 0.000 16.225 18.187) 24.372 1.234 ( 0.000 28.662 28.320) 40.293 1.382 ( 0.000 22.986 3.523) 23.254 1.583 ( 0.000 4.414 -8.403) 9.492 1.877 ( 0.000 -1.400 -3.420) 3.696 1.921 ( 0.000 0.193 1.638) 1.649 2.188 ( 0.000 9.282 -3.086) 9.782 2.386 ( 0.000 0.235 -8.503) 8.507 2.479 ( 0.000 1.326 -2.107) 2.490 2.492 ( 0.000 2.503 -2.643) 3.640 2.498 ( 0.000 -1.589 -1.287) 2.044 2.559 ( 0.000 3.933 0.630) 3.983 2.653 ( 0.000 -0.549 4.136) 4.172 2.957 ( 0.000 0.235 5.935) 5.940 2.995 ( 0.000 1.896 3.383) 3.878 2.999 ( 0.000 3.055 5.674) 6.444 3.062 ( 0.000 -1.416 0.247) 1.437 3.188 ( 0.000 6.651 3.745) 7.633 3.328 ( 0.000 -0.016 3.497) 3.497 3.723 ( 0.000 -2.051 -10.374) 10.574 3.890 ( 0.000 -2.725 -1.837) 3.287 4.146 ( 0.000 -3.366 4.765) 5.834 4.436 ( 0.000 -3.455 -5.363) 6.380 6.550 ( 0.000 3.762 -5.143) 6.372 6.591 ( 0.000 0.424 2.215) 2.255 6.808 ( 0.000 19.740 1.958) 19.837 6.810 ( 0.000 5.244 -1.809) 5.547 7.037 ( 0.000 1.108 -1.975) 2.265 7.118 ( 0.000 -1.074 -4.177) 4.313 7.228 ( 0.000 1.074 -1.342) 1.719 7.328 ( 0.000 3.902 0.034) 3.902 7.445 ( 0.000 4.415 -2.524) 5.085 7.507 ( 0.000 -0.412 -0.911) 1.000 7.549 ( 0.000 4.050 -2.839) 4.946 7.578 ( 0.000 4.658 -5.307) 7.061 7.706 ( 0.000 -0.476 0.550) 0.728 7.855 ( 0.000 2.586 4.927) 5.564 7.885 ( 0.000 12.101 -6.511) 13.741 7.962 ( 0.000 9.987 3.858) 10.706 8.020 ( 0.000 17.756 -7.873) 19.423 8.865 ( 0.000 -1.465 -5.318) 5.516 9.768 ( 0.000 -2.559 -3.375) 4.236 9.800 ( 0.000 -3.442 -1.112) 3.617 10.183 ( 0.000 -1.556 6.337) 6.525 10.408 ( 0.000 -10.486 7.535) 12.912 10.642 ( 0.000 -2.418 -1.609) 2.905 11.054 ( 0.000 -7.954 -7.502) 10.933 ======================= Grid point 71 (26/105) ======================= q-point: ( 0.25 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 9.059 10.870 12.654) 18.983 0.897 ( 10.040 20.053 10.900) 24.935 1.290 ( -7.121 22.156 4.962) 23.795 1.342 ( -11.234 4.073 1.156) 12.006 1.495 ( 13.430 18.006 18.711) 29.235 1.941 ( 1.022 0.290 2.549) 2.761 1.986 ( 7.058 -0.387 -4.396) 8.325 2.183 ( -0.682 8.848 -3.763) 9.639 2.342 ( -3.916 1.455 -7.885) 8.923 2.408 ( -11.832 5.077 8.521) 15.440 2.478 ( -0.131 1.562 -2.410) 2.874 2.484 ( -0.401 1.547 -2.040) 2.592 2.553 ( 3.606 0.369 -1.167) 3.808 2.698 ( -0.747 -1.931 4.861) 5.283 2.913 ( 0.456 0.742 1.887) 2.078 2.977 ( -0.031 1.477 0.903) 1.731 3.042 ( 0.462 3.253 0.842) 3.391 3.063 ( -0.216 1.113 0.318) 1.177 3.151 ( 0.619 0.356 3.600) 3.670 3.338 ( -3.834 1.670 0.146) 4.185 3.755 ( 6.323 -2.208 -2.087) 7.015 3.964 ( 2.420 -3.297 -3.172) 5.176 4.156 ( 2.821 -3.091 2.332) 4.790 4.393 ( -4.439 -3.674 -5.169) 7.741 6.527 ( -0.302 4.740 -0.305) 4.759 6.605 ( -1.152 0.078 0.382) 1.217 6.781 ( 0.702 12.680 -1.093) 12.746 6.841 ( 0.727 12.704 -2.871) 13.045 7.053 ( 0.919 -0.519 -1.870) 2.147 7.117 ( 0.285 1.375 -3.471) 3.744 7.227 ( -0.486 1.629 0.381) 1.742 7.300 ( -3.058 5.218 0.607) 6.078 7.410 ( -1.531 4.754 -1.578) 5.238 7.495 ( -3.774 3.484 -1.045) 5.242 7.559 ( -0.116 5.139 -2.768) 5.838 7.572 ( 0.513 3.558 -3.982) 5.365 7.640 ( -2.761 5.453 2.092) 6.460 7.709 ( -2.308 0.803 0.070) 2.445 7.935 ( 0.620 6.532 1.909) 6.834 7.951 ( -0.359 7.232 1.984) 7.508 8.252 ( 13.723 10.421 -6.934) 18.574 8.719 ( -11.607 2.305 -1.088) 11.884 9.776 ( 0.610 -2.750 -3.058) 4.158 9.795 ( -0.406 -3.175 -1.480) 3.526 10.199 ( 1.615 -1.651 6.338) 6.746 10.316 ( -4.740 -3.933 7.841) 9.971 10.836 ( 11.453 -9.956 -8.559) 17.423 11.043 ( -1.323 -8.380 -8.152) 11.765 ======================= Grid point 72 (27/105) ======================= q-point: (-0.50 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -15.179 7.607 1.707) 17.064 0.981 ( 15.179 7.607 1.707) 17.064 1.125 ( -7.846 20.336 5.140) 22.394 1.125 ( 7.846 20.336 5.140) 22.394 1.850 ( -14.582 3.743 14.154) 20.663 1.850 ( 14.582 3.743 14.154) 20.663 2.103 ( -6.518 5.568 0.406) 8.581 2.103 ( 6.518 5.568 0.406) 8.581 2.269 ( -1.836 6.574 -3.383) 7.618 2.269 ( 1.836 6.574 -3.383) 7.618 2.479 ( -0.168 1.541 -2.262) 2.742 2.479 ( 0.168 1.541 -2.262) 2.742 2.635 ( -4.338 -1.542 3.231) 5.625 2.635 ( 4.338 -1.542 3.231) 5.625 2.959 ( -2.234 -0.064 -1.005) 2.450 2.959 ( 2.234 -0.064 -1.005) 2.450 3.048 ( -0.734 2.506 -0.783) 2.726 3.048 ( 0.734 2.506 -0.783) 2.726 3.224 ( -5.928 0.989 1.427) 6.177 3.224 ( 5.928 0.989 1.427) 6.177 3.905 ( -7.010 -3.011 0.582) 7.651 3.905 ( 7.010 -3.011 0.582) 7.651 4.273 ( -7.364 -3.468 -3.672) 8.930 4.273 ( 7.364 -3.468 -3.672) 8.930 6.554 ( -2.817 3.567 1.375) 4.749 6.554 ( 2.817 3.567 1.375) 4.749 6.824 ( -2.401 11.364 -4.105) 12.319 6.824 ( 2.401 11.364 -4.105) 12.319 7.088 ( -2.990 1.895 -1.722) 3.936 7.088 ( 2.990 1.895 -1.722) 3.936 7.239 ( -2.414 4.105 1.608) 5.027 7.239 ( 2.414 4.105 1.608) 5.027 7.422 ( -2.511 3.968 0.259) 4.703 7.422 ( 2.511 3.968 0.259) 4.703 7.567 ( -0.741 4.800 -3.846) 6.195 7.567 ( 0.741 4.800 -3.846) 6.195 7.663 ( -2.566 0.409 0.378) 2.626 7.663 ( 2.566 0.409 0.378) 2.626 7.944 ( -0.414 6.874 1.990) 7.168 7.944 ( 0.414 6.874 1.990) 7.168 8.492 ( -11.655 5.893 -2.399) 13.278 8.492 ( 11.655 5.893 -2.399) 13.278 9.787 ( -0.474 -2.922 -2.247) 3.716 9.787 ( 0.474 -2.922 -2.247) 3.716 10.244 ( -2.970 -2.165 6.758) 7.693 10.244 ( 2.970 -2.165 6.758) 7.693 10.989 ( -4.775 -9.638 -9.642) 14.445 10.989 ( 4.775 -9.638 -9.642) 14.445 ======================= Grid point 75 (28/105) ======================= q-point: ( 0.00 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.000 16.450 9.740) 19.117 1.034 ( 0.000 14.887 15.575) 21.545 1.651 ( 0.000 7.294 -4.538) 8.590 1.812 ( 0.000 11.156 0.121) 11.156 1.901 ( 0.000 12.774 2.768) 13.070 1.907 ( 0.000 9.469 0.111) 9.470 1.981 ( 0.000 20.711 10.604) 23.268 2.329 ( 0.000 2.981 -6.236) 6.912 2.442 ( 0.000 5.534 -2.731) 6.171 2.455 ( 0.000 -2.208 -0.167) 2.215 2.502 ( 0.000 1.282 -0.898) 1.565 2.549 ( 0.000 3.035 -2.490) 3.926 2.659 ( 0.000 5.285 -2.031) 5.662 2.663 ( 0.000 2.475 5.325) 5.872 2.973 ( 0.000 1.494 2.240) 2.692 3.020 ( 0.000 -1.506 -0.133) 1.512 3.048 ( 0.000 1.809 3.497) 3.937 3.097 ( 0.000 7.114 3.928) 8.127 3.348 ( 0.000 2.294 4.017) 4.626 3.387 ( 0.000 12.538 2.020) 12.699 3.675 ( 0.000 -2.602 -9.128) 9.492 3.827 ( 0.000 -3.012 -0.910) 3.146 4.051 ( 0.000 -5.976 5.043) 7.819 4.334 ( 0.000 -6.652 -4.993) 8.317 6.575 ( 0.000 0.584 -1.728) 1.824 6.616 ( 0.000 2.221 1.390) 2.620 6.864 ( 0.000 2.111 1.273) 2.465 7.059 ( 0.000 0.550 -2.544) 2.603 7.071 ( 0.000 -1.662 -4.400) 4.704 7.241 ( 0.000 0.140 1.375) 1.382 7.282 ( 0.000 19.983 -1.054) 20.011 7.409 ( 0.000 6.579 0.253) 6.583 7.501 ( 0.000 0.170 -0.016) 0.171 7.531 ( 0.000 4.467 -2.146) 4.956 7.650 ( 0.000 0.860 -1.458) 1.692 7.654 ( 0.000 6.058 -0.625) 6.090 7.736 ( 0.000 4.781 1.641) 5.054 7.938 ( 0.000 5.603 3.331) 6.519 8.064 ( 0.000 7.574 -1.878) 7.804 8.264 ( 0.000 19.098 1.174) 19.134 8.419 ( 0.000 18.171 -14.116) 23.010 8.866 ( 0.000 2.080 -2.366) 3.150 9.697 ( 0.000 -4.263 -3.152) 5.302 9.712 ( 0.000 -5.061 -1.866) 5.394 10.146 ( 0.000 -1.947 4.690) 5.078 10.256 ( 0.000 -5.375 5.765) 7.882 10.573 ( 0.000 -4.342 -1.581) 4.621 10.853 ( 0.000 -11.174 -5.269) 12.354 ======================= Grid point 76 (29/105) ======================= q-point: ( 0.25 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 5.803 16.527 6.700) 18.754 1.187 ( 11.865 11.656 13.057) 21.145 1.460 ( -14.039 7.617 -2.837) 16.222 1.685 ( -11.721 12.003 5.866) 17.772 1.971 ( 7.066 4.523 -1.094) 8.460 1.973 ( 4.278 17.488 2.061) 18.121 2.093 ( 7.095 16.947 5.674) 19.228 2.320 ( -1.299 4.259 -5.450) 7.038 2.428 ( -1.009 6.171 -2.488) 6.730 2.460 ( -0.402 -0.190 1.171) 1.253 2.504 ( 0.176 1.295 -1.098) 1.707 2.533 ( -2.069 4.110 -2.885) 5.430 2.603 ( -1.035 4.230 3.646) 5.680 2.692 ( -0.984 1.785 3.353) 3.924 2.951 ( -0.679 1.131 0.404) 1.380 3.009 ( -2.039 2.031 1.267) 3.145 3.054 ( 1.819 1.046 1.147) 2.391 3.166 ( 5.538 7.082 2.876) 9.439 3.199 ( -6.711 4.656 2.007) 8.411 3.434 ( -4.239 8.205 -0.333) 9.241 3.694 ( 5.750 -3.584 -1.588) 6.959 3.881 ( 1.246 -4.559 -2.128) 5.184 4.072 ( 3.472 -5.097 2.536) 6.668 4.292 ( -4.166 -6.303 -4.526) 8.807 6.575 ( 0.236 1.398 -0.801) 1.629 6.610 ( -0.770 1.347 1.171) 1.944 6.888 ( 2.424 2.469 -0.193) 3.466 7.015 ( -3.103 0.069 -3.284) 4.518 7.105 ( 2.370 0.753 -2.454) 3.494 7.212 ( -2.318 2.576 0.031) 3.465 7.321 ( 2.856 12.431 -0.132) 12.756 7.405 ( -0.770 6.371 0.978) 6.492 7.488 ( 0.468 4.343 -1.687) 4.683 7.559 ( 0.722 3.354 -2.944) 4.520 7.636 ( 0.514 3.171 -0.664) 3.280 7.679 ( 1.593 5.960 0.350) 6.179 7.724 ( -1.163 4.636 1.293) 4.951 7.855 ( -7.205 10.480 1.575) 12.815 8.086 ( 1.749 7.753 -0.550) 7.967 8.188 ( -4.371 15.891 -0.716) 16.497 8.519 ( 7.083 14.861 -8.223) 18.402 8.793 ( -6.430 5.306 -1.919) 8.555 9.701 ( 0.305 -4.526 -2.936) 5.404 9.711 ( -0.135 -4.959 -2.056) 5.370 10.159 ( 1.222 -2.178 4.721) 5.341 10.231 ( -2.020 -4.052 5.430) 7.070 10.658 ( 6.885 -7.782 -3.632) 11.006 10.838 ( -1.730 -11.137 -5.424) 12.508 ======================= Grid point 77 (30/105) ======================= q-point: (-0.50 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -13.214 12.248 0.574) 18.027 1.184 ( 13.214 12.248 0.574) 18.027 1.439 ( -13.293 10.001 9.666) 19.239 1.439 ( 13.293 10.001 9.666) 19.239 2.035 ( -0.914 9.199 -0.398) 9.253 2.035 ( 0.914 9.199 -0.398) 9.253 2.242 ( -7.359 11.684 0.492) 13.817 2.242 ( 7.359 11.684 0.492) 13.817 2.425 ( -1.399 6.212 0.279) 6.374 2.425 ( 1.399 6.212 0.279) 6.374 2.508 ( -0.322 2.224 -1.438) 2.668 2.508 ( 0.322 2.224 -1.438) 2.668 2.636 ( -3.501 2.139 3.964) 5.705 2.636 ( 3.501 2.139 3.964) 5.705 2.967 ( -1.915 0.896 -0.493) 2.171 2.967 ( 1.915 0.896 -0.493) 2.171 3.103 ( -3.325 2.957 1.135) 4.593 3.103 ( 3.325 2.957 1.135) 4.593 3.301 ( -7.643 7.073 0.474) 10.424 3.301 ( 7.643 7.073 0.474) 10.424 3.825 ( -5.965 -4.545 0.516) 7.517 3.825 ( 5.965 -4.545 0.516) 7.517 4.183 ( -6.619 -5.391 -2.674) 8.945 4.183 ( 6.619 -5.391 -2.674) 8.945 6.589 ( -1.121 1.444 0.464) 1.887 6.589 ( 1.121 1.444 0.464) 1.887 6.949 ( -3.555 1.815 -2.265) 4.590 6.949 ( 3.555 1.815 -2.265) 4.590 7.159 ( -2.976 1.526 -1.048) 3.504 7.159 ( 2.976 1.526 -1.048) 3.504 7.373 ( -2.363 6.754 0.695) 7.189 7.373 ( 2.363 6.754 0.695) 7.189 7.529 ( -2.931 5.929 -3.403) 7.437 7.529 ( 2.931 5.929 -3.403) 7.437 7.686 ( -3.013 5.548 0.396) 6.326 7.686 ( 3.013 5.548 0.396) 6.326 7.728 ( -4.289 9.324 1.500) 10.372 7.728 ( 4.289 9.324 1.500) 10.372 8.125 ( -2.404 10.453 -0.123) 10.727 8.125 ( 2.404 10.453 -0.123) 10.727 8.657 ( -7.179 10.255 -3.795) 13.081 8.657 ( 7.179 10.255 -3.795) 13.081 9.707 ( -0.271 -4.789 -2.476) 5.398 9.707 ( 0.271 -4.789 -2.476) 5.398 10.191 ( -2.017 -2.855 4.952) 6.062 10.191 ( 2.017 -2.855 4.952) 6.062 10.777 ( -4.757 -10.556 -5.369) 12.763 10.777 ( 4.757 -10.556 -5.369) 12.763 ======================= Grid point 80 (31/105) ======================= q-point: ( 0.00 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 17.019 3.786) 17.435 1.348 ( 0.000 15.822 7.325) 17.436 1.781 ( 0.000 6.085 -3.698) 7.120 1.886 ( 0.000 2.411 -4.133) 4.785 1.984 ( 0.000 4.111 3.686) 5.521 2.120 ( 0.000 6.070 4.964) 7.842 2.336 ( 0.000 -1.477 -4.719) 4.944 2.373 ( 0.000 1.191 -0.996) 1.552 2.449 ( 0.000 3.586 3.219) 4.819 2.529 ( 0.000 2.226 2.653) 3.463 2.602 ( 0.000 10.328 -2.504) 10.627 2.607 ( 0.000 2.140 -0.446) 2.186 2.770 ( 0.000 6.497 0.092) 6.498 2.775 ( 0.000 7.752 2.715) 8.214 3.005 ( 0.000 1.264 -2.426) 2.735 3.014 ( 0.000 2.964 1.039) 3.141 3.079 ( 0.000 1.705 3.992) 4.341 3.293 ( 0.000 12.128 0.119) 12.128 3.409 ( 0.000 2.597 2.503) 3.606 3.581 ( 0.000 0.115 -4.821) 4.822 3.708 ( 0.000 12.185 -0.888) 12.217 3.810 ( 0.000 2.869 1.237) 3.125 3.914 ( 0.000 -7.339 4.631) 8.678 4.178 ( 0.000 -8.449 -3.832) 9.277 6.594 ( 0.000 1.301 0.361) 1.350 6.679 ( 0.000 3.887 0.504) 3.919 6.918 ( 0.000 3.273 -0.795) 3.368 7.016 ( 0.000 -3.498 -4.466) 5.672 7.067 ( 0.000 0.495 -2.651) 2.697 7.237 ( 0.000 -0.386 2.972) 2.997 7.402 ( 0.000 0.370 -2.759) 2.784 7.504 ( 0.000 0.437 2.769) 2.803 7.606 ( 0.000 1.881 -3.620) 4.079 7.630 ( 0.000 5.393 -2.993) 6.168 7.781 ( 0.000 6.442 1.946) 6.729 7.814 ( 0.000 14.593 0.499) 14.601 7.861 ( 0.000 9.451 2.152) 9.693 8.081 ( 0.000 8.775 3.335) 9.388 8.184 ( 0.000 4.440 -1.593) 4.717 8.668 ( 0.000 19.707 -0.074) 19.707 8.713 ( 0.000 10.357 -9.531) 14.075 8.958 ( 0.000 7.034 -0.817) 7.082 9.603 ( 0.000 -5.019 -2.571) 5.639 9.606 ( 0.000 -5.248 -2.242) 5.707 10.110 ( 0.000 -1.639 3.191) 3.587 10.173 ( 0.000 -2.963 3.554) 4.627 10.472 ( 0.000 -5.532 -1.575) 5.752 10.636 ( 0.000 -9.984 -3.004) 10.426 ======================= Grid point 81 (32/105) ======================= q-point: ( 0.25 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 3.341 16.493 2.687) 17.041 1.429 ( 7.209 12.611 7.684) 16.433 1.625 ( -9.916 8.401 -2.067) 13.160 1.832 ( -10.971 5.568 6.553) 13.939 2.016 ( 7.446 2.408 -4.776) 9.168 2.180 ( 1.081 5.477 -1.202) 5.710 2.345 ( 1.756 -1.968 0.103) 2.640 2.402 ( 1.921 3.230 -1.195) 3.943 2.447 ( 0.444 0.004 1.099) 1.186 2.533 ( 0.052 2.714 2.008) 3.376 2.598 ( -0.237 4.163 -1.562) 4.453 2.614 ( 0.127 5.721 -3.012) 6.466 2.749 ( -1.021 10.202 1.870) 10.422 2.776 ( -0.678 6.750 2.419) 7.203 2.973 ( -0.108 2.897 -0.138) 2.902 3.037 ( -0.849 0.942 0.812) 1.506 3.101 ( 3.024 4.079 2.765) 5.782 3.294 ( -3.949 6.728 0.611) 7.826 3.381 ( 2.529 10.609 1.602) 11.024 3.593 ( -3.122 0.634 -2.098) 3.815 3.685 ( 1.818 9.136 -0.326) 9.320 3.804 ( -1.544 -2.076 0.351) 2.612 3.967 ( 4.792 -4.356 2.269) 6.862 4.147 ( -3.034 -7.623 -3.080) 8.764 6.604 ( 0.991 1.680 0.357) 1.983 6.662 ( -1.529 3.465 0.520) 3.823 6.936 ( 1.555 2.434 -1.786) 3.395 6.997 ( -1.403 -1.705 -4.055) 4.617 7.100 ( 2.869 -0.264 -1.748) 3.370 7.217 ( -2.058 -0.364 2.187) 3.024 7.412 ( 1.048 0.585 -1.713) 2.092 7.483 ( -1.927 0.701 1.926) 2.813 7.605 ( 0.109 3.062 -3.379) 4.562 7.625 ( -0.535 4.688 -2.626) 5.400 7.781 ( 0.726 7.020 1.566) 7.229 7.827 ( -0.418 6.683 1.521) 6.867 7.891 ( 3.812 14.482 0.995) 15.008 8.050 ( -2.832 9.283 1.911) 9.892 8.229 ( 4.305 6.714 -0.575) 7.996 8.520 ( -9.459 14.926 -2.535) 17.852 8.809 ( 4.664 13.393 -5.005) 15.040 8.937 ( -2.071 8.758 -1.446) 9.115 9.602 ( -0.015 -5.127 -2.508) 5.708 9.606 ( -0.082 -5.332 -2.306) 5.810 10.118 ( 0.792 -1.785 3.218) 3.764 10.162 ( -1.036 -2.666 3.474) 4.500 10.512 ( 3.541 -6.867 -2.157) 8.021 10.624 ( -1.294 -9.757 -3.031) 10.298 ======================= Grid point 82 (33/105) ======================= q-point: (-0.50 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -7.692 12.383 0.622) 14.591 1.439 ( 7.692 12.383 0.622) 14.591 1.616 ( -10.527 9.104 7.495) 15.808 1.616 ( 10.527 9.104 7.495) 15.808 2.136 ( -4.713 2.853 -4.653) 7.211 2.136 ( 4.713 2.853 -4.653) 7.211 2.391 ( -2.208 0.480 2.582) 3.431 2.391 ( 2.208 0.480 2.582) 3.431 2.504 ( -3.498 2.051 -1.637) 4.373 2.504 ( 3.498 2.051 -1.637) 4.373 2.601 ( -0.739 3.106 -3.011) 4.389 2.601 ( 0.739 3.106 -3.011) 4.389 2.753 ( -1.266 9.671 3.301) 10.297 2.753 ( 1.266 9.671 3.301) 10.297 3.001 ( -2.316 2.470 0.718) 3.461 3.001 ( 2.316 2.470 0.718) 3.461 3.184 ( -5.511 6.271 2.215) 8.637 3.184 ( 5.511 6.271 2.215) 8.637 3.485 ( -6.434 9.207 0.388) 11.239 3.485 ( 6.434 9.207 0.388) 11.239 3.752 ( -3.562 -1.192 -0.453) 3.783 3.752 ( 3.562 -1.192 -0.453) 3.783 4.067 ( -5.009 -5.566 -0.938) 7.546 4.067 ( 5.009 -5.566 -0.938) 7.546 6.630 ( -1.610 2.558 0.425) 3.053 6.630 ( 1.610 2.558 0.425) 3.053 6.968 ( -1.591 0.439 -3.255) 3.649 6.968 ( 1.592 0.439 -3.255) 3.649 7.163 ( -3.307 -0.265 0.352) 3.336 7.163 ( 3.307 -0.265 0.352) 3.336 7.442 ( -2.044 0.843 0.251) 2.225 7.442 ( 2.044 0.843 0.251) 2.225 7.613 ( -0.612 4.004 -2.807) 4.928 7.613 ( 0.612 4.004 -2.807) 4.928 7.805 ( -1.479 5.962 1.611) 6.351 7.805 ( 1.479 5.962 1.611) 6.351 7.978 ( -4.489 12.153 0.727) 12.976 7.978 ( 4.489 12.153 0.727) 12.976 8.347 ( -7.858 11.230 -0.791) 13.729 8.347 ( 7.858 11.230 -0.791) 13.729 8.884 ( -3.291 11.580 -3.051) 12.420 8.884 ( 3.291 11.580 -3.051) 12.420 9.603 ( -0.116 -5.319 -2.410) 5.841 9.603 ( 0.116 -5.319 -2.410) 5.841 10.139 ( -1.269 -2.164 3.326) 4.166 10.139 ( 1.269 -2.164 3.326) 4.166 10.582 ( -3.098 -8.802 -2.873) 9.763 10.582 ( 3.098 -8.802 -2.873) 9.763 ======================= Grid point 85 (34/105) ======================= q-point: ( 0.00 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 14.862 0.227) 14.864 1.647 ( 0.000 13.418 1.833) 13.543 1.903 ( 0.000 6.238 -1.856) 6.508 1.933 ( 0.000 2.185 -3.963) 4.525 2.068 ( 0.000 3.650 4.138) 5.518 2.170 ( 0.000 -0.182 6.621) 6.624 2.305 ( 0.000 -1.017 -3.437) 3.584 2.330 ( 0.000 -2.990 -2.019) 3.608 2.486 ( 0.000 0.987 0.621) 1.166 2.548 ( 0.000 0.306 3.233) 3.247 2.623 ( 0.000 -0.605 1.380) 1.507 2.673 ( 0.000 -1.680 -6.631) 6.841 2.868 ( 0.000 2.759 0.816) 2.877 2.906 ( 0.000 4.743 0.905) 4.828 3.012 ( 0.000 -0.616 -3.020) 3.082 3.051 ( 0.000 -0.485 2.523) 2.569 3.249 ( 0.000 10.279 1.936) 10.459 3.407 ( 0.000 -1.878 -0.037) 1.878 3.559 ( 0.000 12.294 -3.916) 12.903 3.581 ( 0.000 2.670 0.049) 2.671 3.775 ( 0.000 -4.725 1.039) 4.838 3.925 ( 0.000 2.966 -1.184) 3.193 3.989 ( 0.000 13.300 1.367) 13.370 4.050 ( 0.000 0.882 2.524) 2.674 6.626 ( 0.000 1.808 1.037) 2.084 6.766 ( 0.000 4.632 -0.312) 4.643 6.936 ( 0.000 -4.297 -3.615) 5.615 6.983 ( 0.000 2.658 -3.212) 4.170 7.088 ( 0.000 1.947 -2.259) 2.982 7.230 ( 0.000 -0.307 3.564) 3.577 7.386 ( 0.000 -1.523 -2.334) 2.787 7.474 ( 0.000 -3.044 1.653) 3.464 7.679 ( 0.000 5.337 -3.257) 6.253 7.741 ( 0.000 5.321 -4.168) 6.759 7.910 ( 0.000 6.312 3.099) 7.032 7.951 ( 0.000 4.707 1.726) 5.014 8.131 ( 0.000 11.538 -2.544) 11.815 8.258 ( 0.000 3.450 -2.124) 4.051 8.288 ( 0.000 10.770 4.798) 11.791 8.837 ( 0.000 2.646 -3.830) 4.655 9.013 ( 0.000 14.006 -0.999) 14.041 9.106 ( 0.000 6.129 -1.303) 6.265 9.500 ( 0.000 -5.160 -1.163) 5.289 9.511 ( 0.000 -4.025 -1.749) 4.389 10.082 ( 0.000 -1.032 1.823) 2.095 10.140 ( 0.000 -0.330 2.446) 2.469 10.356 ( 0.000 -5.891 -1.406) 6.057 10.462 ( 0.000 -7.226 -1.408) 7.362 ======================= Grid point 86 (35/105) ======================= q-point: ( 0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.826 13.776 0.534) 13.812 1.677 ( 2.546 11.372 1.859) 11.801 1.791 ( -4.837 8.199 0.018) 9.519 1.946 ( -7.483 5.628 4.111) 10.226 2.059 ( 6.214 1.672 -3.868) 7.508 2.249 ( -2.668 0.795 -3.188) 4.233 2.290 ( 5.963 -1.748 4.354) 7.588 2.385 ( 4.341 -2.649 -2.625) 5.723 2.454 ( -2.718 0.758 1.200) 3.066 2.555 ( -0.182 -0.145 2.395) 2.406 2.615 ( -0.655 -0.704 0.257) 0.995 2.646 ( -2.453 -1.839 -4.553) 5.489 2.875 ( 0.683 3.147 0.656) 3.286 2.901 ( -0.441 4.554 0.771) 4.639 3.017 ( 0.525 -0.063 -1.798) 1.874 3.046 ( -0.554 -0.331 1.865) 1.974 3.274 ( 2.422 8.526 0.885) 8.908 3.393 ( -2.063 0.784 -0.108) 2.209 3.541 ( 0.768 7.239 -2.510) 7.700 3.615 ( 0.769 0.892 1.333) 1.778 3.777 ( 1.009 3.117 -2.244) 3.971 3.919 ( -2.967 4.789 -1.105) 5.741 3.973 ( 1.154 7.376 2.366) 7.832 4.049 ( -0.690 2.350 2.818) 3.733 6.643 ( 1.743 2.187 0.798) 2.908 6.740 ( -2.381 4.173 -0.152) 4.807 6.942 ( 0.741 -3.158 -3.761) 4.967 6.981 ( -0.457 1.251 -3.576) 3.816 7.114 ( 2.442 1.808 -1.253) 3.287 7.212 ( -1.755 -0.039 2.650) 3.178 7.397 ( 1.091 -1.618 -1.575) 2.508 7.459 ( -1.438 -2.631 1.104) 3.195 7.690 ( 1.067 5.570 -3.285) 6.554 7.738 ( -0.472 5.854 -4.005) 7.108 7.904 ( -0.249 5.429 3.076) 6.245 7.937 ( -1.213 4.546 1.787) 5.033 8.146 ( 1.548 10.331 -1.970) 10.630 8.224 ( -1.900 7.594 0.200) 7.830 8.379 ( 7.239 8.049 1.614) 10.945 8.733 ( -8.760 6.106 -1.869) 10.840 9.051 ( 2.444 10.427 -2.114) 10.916 9.104 ( -0.333 6.707 -1.514) 6.884 9.498 ( -0.058 -5.193 -1.342) 5.364 9.507 ( -0.391 -4.271 -1.666) 4.601 10.090 ( 0.789 -0.889 1.919) 2.257 10.131 ( -0.862 -0.366 2.357) 2.536 10.381 ( 2.195 -6.219 -1.468) 6.756 10.454 ( -0.920 -7.151 -1.462) 7.356 ======================= Grid point 87 (36/105) ======================= q-point: (-0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -2.622 10.515 0.805) 10.867 1.669 ( 2.622 10.515 0.805) 10.867 1.810 ( -5.854 9.583 3.291) 11.702 1.810 ( 5.854 9.583 3.291) 11.702 2.169 ( -5.011 0.250 -4.024) 6.432 2.169 ( 5.011 0.250 -4.024) 6.432 2.389 ( -3.885 0.589 2.115) 4.463 2.389 ( 3.885 0.589 2.115) 4.463 2.496 ( -5.816 -2.565 -1.685) 6.576 2.496 ( 5.816 -2.565 -1.685) 6.576 2.613 ( -0.727 -0.794 -0.060) 1.078 2.613 ( 0.727 -0.794 -0.060) 1.078 2.890 ( -0.727 3.980 0.578) 4.087 2.890 ( 0.727 3.980 0.578) 4.087 3.031 ( -0.866 0.040 0.266) 0.907 3.031 ( 0.866 0.040 0.266) 0.907 3.333 ( -3.486 5.086 -0.399) 6.179 3.333 ( 3.486 5.086 -0.399) 6.179 3.587 ( -2.959 1.791 0.303) 3.472 3.587 ( 2.959 1.791 0.303) 3.472 3.835 ( -4.505 7.514 -2.409) 9.086 3.835 ( 4.505 7.514 -2.409) 9.086 4.018 ( -2.395 2.827 3.066) 4.809 4.018 ( 2.395 2.827 3.066) 4.809 6.688 ( -2.714 3.141 0.274) 4.160 6.688 ( 2.714 3.141 0.274) 4.160 6.963 ( -1.237 -1.043 -3.821) 4.149 6.963 ( 1.237 -1.043 -3.821) 4.149 7.167 ( -2.721 0.910 0.661) 2.944 7.167 ( 2.721 0.910 0.661) 2.944 7.426 ( -1.788 -1.982 -0.122) 2.672 7.426 ( 1.788 -1.982 -0.122) 2.672 7.717 ( -1.545 6.100 -3.494) 7.198 7.717 ( 1.545 6.100 -3.494) 7.198 7.912 ( -1.115 4.462 2.321) 5.152 7.912 ( 1.115 4.462 2.321) 5.152 8.184 ( -2.178 8.995 -0.658) 9.278 8.184 ( 2.178 8.995 -0.658) 9.278 8.547 ( -9.729 7.907 0.105) 12.537 8.547 ( 9.729 7.907 0.105) 12.537 9.088 ( -1.341 8.052 -2.074) 8.423 9.088 ( 1.341 8.052 -2.074) 8.423 9.500 ( -0.232 -4.884 -1.554) 5.130 9.500 ( 0.232 -4.884 -1.554) 5.130 10.110 ( -1.195 -0.563 2.146) 2.520 10.110 ( 1.195 -0.563 2.146) 2.520 10.425 ( -2.055 -6.812 -1.524) 7.277 10.425 ( 2.055 -6.812 -1.524) 7.277 ======================= Grid point 90 (37/105) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 8.348 -0.741) 8.381 1.888 ( 0.000 10.417 -2.332) 10.675 1.970 ( 0.000 1.413 -1.512) 2.070 2.028 ( 0.000 5.304 -0.875) 5.376 2.121 ( 0.000 2.154 3.412) 4.035 2.158 ( 0.000 0.181 4.125) 4.129 2.278 ( 0.000 -1.470 -1.384) 2.019 2.287 ( 0.000 -1.264 -0.893) 1.548 2.483 ( 0.000 -2.128 -0.752) 2.257 2.557 ( 0.000 -0.066 1.776) 1.778 2.583 ( 0.000 -2.622 2.164) 3.400 2.623 ( 0.000 -1.858 -4.400) 4.777 2.911 ( 0.000 1.615 -0.028) 1.615 2.974 ( 0.000 2.176 0.491) 2.231 2.987 ( 0.000 -1.494 -3.076) 3.419 3.035 ( 0.000 -0.896 2.642) 2.790 3.341 ( 0.000 1.323 -4.553) 4.742 3.367 ( 0.000 -1.492 -0.749) 1.670 3.579 ( 0.000 -3.720 5.065) 6.284 3.672 ( 0.000 -2.540 -6.206) 6.706 3.853 ( 0.000 10.313 -0.129) 10.314 3.951 ( 0.000 5.513 -0.039) 5.513 4.212 ( 0.000 8.995 4.148) 9.905 4.219 ( 0.000 9.152 1.507) 9.275 6.664 ( 0.000 2.037 0.905) 2.229 6.844 ( 0.000 -2.440 -2.167) 3.263 6.863 ( 0.000 2.656 -1.119) 2.882 7.011 ( 0.000 0.202 -4.244) 4.249 7.150 ( 0.000 3.950 -1.698) 4.300 7.230 ( 0.000 0.464 2.941) 2.977 7.347 ( 0.000 -2.367 -1.793) 2.969 7.402 ( 0.000 -3.882 0.609) 3.930 7.789 ( 0.000 4.928 -3.168) 5.858 7.830 ( 0.000 3.402 -3.506) 4.886 8.021 ( 0.000 4.339 0.786) 4.410 8.027 ( 0.000 2.981 -0.385) 3.006 8.332 ( 0.000 8.646 -2.469) 8.992 8.339 ( 0.000 4.793 -2.083) 5.226 8.473 ( 0.000 7.463 3.817) 8.382 8.835 ( 0.000 -2.639 -1.581) 3.077 9.183 ( 0.000 1.917 -0.301) 1.940 9.212 ( 0.000 5.283 -2.979) 6.065 9.410 ( 0.000 -2.897 2.053) 3.550 9.449 ( 0.000 -2.136 -0.540) 2.203 10.073 ( 0.000 0.186 0.779) 0.801 10.155 ( 0.000 1.669 1.563) 2.287 10.241 ( 0.000 -5.389 -0.962) 5.474 10.342 ( 0.000 -4.853 -0.559) 4.885 ======================= Grid point 91 (38/105) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -0.526 7.251 -0.401) 7.281 1.874 ( -1.014 9.708 -1.644) 9.898 1.950 ( 0.087 6.733 0.571) 6.758 2.046 ( -3.647 3.584 2.649) 5.759 2.088 ( 3.278 2.389 -2.609) 4.823 2.211 ( -2.163 -2.149 -1.037) 3.220 2.280 ( 6.699 -2.121 2.216) 7.368 2.345 ( 3.375 0.051 -0.403) 3.399 2.459 ( -2.288 -1.809 -0.797) 3.024 2.539 ( -2.690 -0.402 0.876) 2.857 2.583 ( 0.012 -2.898 2.063) 3.557 2.600 ( -1.503 -1.327 -2.236) 3.003 2.922 ( 1.086 1.722 -0.099) 2.038 2.966 ( -0.754 2.199 0.236) 2.337 2.996 ( 0.863 -1.508 -2.074) 2.705 3.030 ( -0.498 -0.989 1.909) 2.207 3.346 ( 0.710 0.934 -3.282) 3.486 3.377 ( 0.499 -0.702 -1.504) 1.733 3.556 ( -1.503 -4.488 1.793) 5.061 3.619 ( -3.767 -2.205 -4.762) 6.460 3.920 ( 5.315 9.474 -0.201) 10.865 4.000 ( 3.995 7.106 0.604) 8.174 4.168 ( -3.364 9.058 3.288) 10.206 4.204 ( -2.155 8.148 2.600) 8.820 6.689 ( 2.459 2.359 0.640) 3.467 6.824 ( -3.164 4.006 -0.713) 5.154 6.871 ( 2.141 -3.648 -2.423) 4.874 6.987 ( -2.407 -0.671 -3.762) 4.516 7.170 ( 1.662 3.472 -1.309) 4.066 7.220 ( -0.826 0.986 1.937) 2.325 7.355 ( 0.804 -2.497 -1.407) 2.977 7.395 ( -0.748 -3.505 0.239) 3.592 7.804 ( 1.572 5.263 -3.323) 6.420 7.844 ( 0.943 4.263 -3.870) 5.834 7.993 ( -2.129 3.309 1.087) 4.082 8.009 ( -1.762 2.525 -0.056) 3.080 8.327 ( 1.121 7.887 -1.714) 8.148 8.375 ( 0.692 7.942 -1.690) 8.149 8.515 ( 5.039 5.003 2.500) 7.528 8.781 ( -5.327 -0.892 -0.969) 5.487 9.189 ( 0.529 2.585 -0.550) 2.696 9.210 ( -0.286 4.610 -2.392) 5.202 9.402 ( -0.362 -4.019 1.004) 4.158 9.437 ( -1.291 -2.733 -0.236) 3.032 10.086 ( 1.309 0.577 0.920) 1.701 10.145 ( -1.041 1.590 1.446) 2.388 10.265 ( 2.090 -5.225 -0.858) 5.692 10.334 ( -0.897 -4.906 -0.607) 5.024 ======================= Grid point 92 (39/105) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -0.343 8.337 -0.451) 8.356 1.860 ( 0.343 8.337 -0.451) 8.356 1.980 ( -2.725 6.953 1.590) 7.636 1.980 ( 2.726 6.953 1.590) 7.636 2.153 ( -3.222 -1.153 -2.413) 4.187 2.153 ( 3.222 -1.153 -2.413) 4.187 2.402 ( -3.546 -3.189 -1.185) 4.914 2.402 ( 3.546 -3.189 -1.185) 4.914 2.437 ( -6.866 0.646 1.479) 7.053 2.437 ( 6.866 0.646 1.479) 7.053 2.586 ( -0.307 -1.782 0.926) 2.031 2.586 ( 0.307 -1.782 0.926) 2.031 2.946 ( -1.244 1.972 -0.066) 2.332 2.946 ( 1.244 1.972 -0.066) 2.332 3.015 ( -0.989 -1.248 0.033) 1.593 3.015 ( 0.989 -1.248 0.033) 1.593 3.368 ( -1.279 0.423 -1.931) 2.355 3.368 ( 1.279 0.423 -1.931) 2.355 3.558 ( -2.028 -4.138 -2.719) 5.350 3.558 ( 2.028 -4.138 -2.719) 5.350 4.020 ( -3.773 10.262 0.454) 10.944 4.020 ( 3.773 10.262 0.454) 10.944 4.147 ( -2.689 6.999 3.206) 8.155 4.147 ( 2.689 6.999 3.206) 8.155 6.752 ( -3.798 3.178 -0.018) 4.952 6.752 ( 3.798 3.178 -0.018) 4.952 6.928 ( -3.394 -2.347 -2.907) 5.048 6.928 ( 3.394 -2.347 -2.907) 5.048 7.200 ( -1.297 2.259 -0.021) 2.605 7.200 ( 1.297 2.259 -0.021) 2.605 7.375 ( -1.199 -2.903 -0.561) 3.191 7.375 ( 1.199 -2.903 -0.561) 3.191 7.840 ( -1.569 5.763 -3.967) 7.170 7.840 ( 1.569 5.763 -3.967) 7.170 7.977 ( -0.888 1.835 0.924) 2.238 7.977 ( 0.888 1.835 0.924) 2.238 8.360 ( -1.733 8.600 -1.070) 8.838 8.360 ( 1.733 8.600 -1.070) 8.838 8.648 ( -7.710 2.116 0.359) 8.003 8.648 ( 7.710 2.116 0.359) 8.003 9.201 ( -0.619 3.576 -1.301) 3.855 9.201 ( 0.619 3.576 -1.301) 3.855 9.409 ( -1.127 -4.165 0.021) 4.315 9.409 ( 1.127 -4.165 0.021) 4.315 10.117 ( -1.692 1.246 1.206) 2.423 10.117 ( 1.692 1.246 1.206) 2.423 10.307 ( -1.922 -5.032 -0.719) 5.435 10.307 ( 1.922 -5.032 -0.719) 5.435 ======================= Grid point 95 (40/105) ======================= q-point: ( 0.00 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.000 2.459 -0.599) 2.531 1.989 ( 0.000 0.475 0.342) 0.585 2.025 ( 0.000 3.456 -2.292) 4.147 2.065 ( 0.000 -0.818 -0.336) 0.885 2.176 ( 0.000 2.308 0.218) 2.318 2.199 ( 0.000 1.707 -0.962) 1.960 2.270 ( 0.000 1.724 1.444) 2.249 2.309 ( 0.000 3.712 -0.813) 3.800 2.402 ( 0.000 -4.027 0.533) 4.062 2.469 ( 0.000 -6.282 2.013) 6.597 2.592 ( 0.000 1.262 0.391) 1.321 2.609 ( 0.000 -0.340 -1.352) 1.394 2.935 ( 0.000 0.927 -1.066) 1.413 2.955 ( 0.000 -1.278 -2.137) 2.490 3.005 ( 0.000 0.925 0.704) 1.163 3.019 ( 0.000 -0.628 1.842) 1.946 3.356 ( 0.000 0.251 -1.364) 1.387 3.359 ( 0.000 0.426 -3.882) 3.905 3.528 ( 0.000 -0.243 0.339) 0.417 3.578 ( 0.000 -4.634 -4.210) 6.261 4.025 ( 0.000 5.440 1.210) 5.573 4.053 ( 0.000 2.540 0.848) 2.678 4.342 ( 0.000 3.481 2.704) 4.408 4.345 ( 0.000 3.188 1.853) 3.687 6.710 ( 0.000 2.550 0.258) 2.563 6.770 ( 0.000 -3.458 -0.875) 3.567 6.941 ( 0.000 3.459 -1.805) 3.902 6.995 ( 0.000 -1.819 -3.099) 3.594 7.231 ( 0.000 3.783 -1.336) 4.012 7.256 ( 0.000 2.309 1.019) 2.524 7.294 ( 0.000 -2.794 -1.050) 2.985 7.323 ( 0.000 -3.906 -0.201) 3.911 7.861 ( 0.000 2.113 -2.545) 3.308 7.873 ( 0.000 0.836 -2.449) 2.587 8.071 ( 0.000 1.305 -2.198) 2.556 8.075 ( 0.000 1.072 -2.007) 2.275 8.435 ( 0.000 3.800 -1.419) 4.056 8.454 ( 0.000 2.602 -1.429) 2.968 8.608 ( 0.000 6.725 0.662) 6.758 8.742 ( 0.000 -6.160 -1.259) 6.287 9.204 ( 0.000 0.755 0.542) 0.930 9.230 ( 0.000 -1.619 -1.697) 2.346 9.404 ( 0.000 1.081 2.556) 2.775 9.422 ( 0.000 -0.827 0.807) 1.155 10.092 ( 0.000 1.757 0.139) 1.762 10.147 ( 0.000 -3.806 -0.416) 3.829 10.200 ( 0.000 2.661 0.671) 2.744 10.261 ( 0.000 -3.435 0.007) 3.435 ======================= Grid point 96 (41/105) ======================= q-point: ( 0.25 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.526 3.812 -0.560) 3.889 2.011 ( -0.169 3.173 -2.035) 3.773 2.020 ( 1.244 1.103 -1.133) 2.012 2.063 ( -0.190 -0.689 -0.552) 0.903 2.181 ( -1.140 2.179 -0.676) 2.550 2.205 ( 0.990 2.030 1.064) 2.497 2.231 ( -0.508 1.019 1.482) 1.869 2.351 ( -0.340 -4.782 -0.839) 4.867 2.402 ( 2.520 2.201 1.376) 3.618 2.492 ( 2.197 -4.960 1.386) 5.599 2.566 ( -2.842 1.452 0.218) 3.199 2.588 ( -1.869 -0.620 -0.574) 2.051 2.947 ( 1.184 0.908 -0.865) 1.725 2.967 ( 1.071 -1.180 -1.582) 2.246 2.997 ( -0.865 0.927 0.390) 1.327 3.012 ( -0.752 -0.751 1.265) 1.652 3.364 ( 1.113 1.163 -2.061) 2.615 3.380 ( 1.712 0.226 -3.510) 3.912 3.491 ( -3.063 -0.967 -0.395) 3.236 3.534 ( -3.794 -4.384 -4.047) 7.070 4.083 ( 5.275 5.350 1.481) 7.658 4.111 ( 5.184 2.574 1.109) 5.893 4.302 ( -3.763 3.872 2.422) 5.918 4.315 ( -3.156 2.556 2.054) 4.551 6.739 ( 2.947 2.688 0.037) 3.989 6.799 ( 2.931 -3.286 -1.043) 4.525 6.900 ( -3.786 3.383 -1.353) 5.254 6.957 ( -3.574 -2.254 -2.473) 4.896 7.242 ( 0.791 3.293 -1.289) 3.623 7.254 ( -0.006 2.562 0.339) 2.585 7.301 ( 0.599 -2.735 -1.056) 2.993 7.323 ( -0.173 -3.601 -0.449) 3.633 7.885 ( 2.371 2.500 -2.563) 4.295 7.899 ( 2.460 1.103 -2.519) 3.690 8.036 ( -3.386 1.089 -1.931) 4.047 8.040 ( -2.914 0.666 -2.002) 3.598 8.463 ( 2.807 5.266 -1.243) 6.096 8.506 ( 4.082 2.544 -1.784) 5.130 8.595 ( -0.963 4.814 0.688) 4.958 8.713 ( -3.005 -5.410 -1.158) 6.296 9.221 ( 1.636 1.231 0.546) 2.119 9.246 ( 1.575 -0.711 -1.294) 2.159 9.361 ( -3.421 0.297 1.971) 3.959 9.391 ( -3.081 -2.010 0.917) 3.791 10.114 ( 2.031 2.164 0.254) 2.978 10.173 ( 2.222 -3.602 -0.327) 4.245 10.189 ( -1.034 2.482 0.631) 2.762 10.251 ( -1.043 -3.512 -0.032) 3.664 ======================= Grid point 97 (42/105) ======================= q-point: (-0.50 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -1.076 4.768 -1.905) 5.246 1.993 ( 1.076 4.768 -1.905) 5.246 2.052 ( -1.189 -0.683 -0.921) 1.652 2.052 ( 1.189 -0.683 -0.921) 1.652 2.176 ( -1.099 4.662 0.783) 4.854 2.176 ( 1.099 4.662 0.783) 4.854 2.293 ( -4.052 -6.089 1.054) 7.389 2.293 ( 4.052 -6.089 1.054) 7.389 2.488 ( -4.797 2.920 0.398) 5.630 2.488 ( 4.797 2.920 0.398) 5.630 2.543 ( -2.655 -2.471 0.451) 3.655 2.543 ( 2.655 -2.471 0.451) 3.655 2.974 ( -1.404 0.924 -0.242) 1.698 2.974 ( 1.404 0.924 -0.242) 1.698 2.991 ( -1.295 -0.995 -0.214) 1.647 2.991 ( 1.295 -0.995 -0.214) 1.647 3.395 ( -1.362 2.477 -2.575) 3.823 3.395 ( 1.362 2.477 -2.575) 3.823 3.466 ( -2.122 -4.417 -2.852) 5.669 3.466 ( 2.122 -4.417 -2.852) 5.669 4.190 ( -3.305 5.804 1.422) 6.829 4.190 ( 3.305 5.804 1.422) 6.829 4.236 ( -2.908 1.296 2.306) 3.931 4.236 ( 2.908 1.296 2.306) 3.931 6.815 ( -4.540 3.050 -0.568) 5.499 6.815 ( 4.540 3.050 -0.568) 5.499 6.874 ( -4.510 -2.864 -1.566) 5.567 6.874 ( 4.510 -2.864 -1.566) 5.567 7.253 ( -0.293 2.906 -0.714) 3.007 7.253 ( 0.293 2.906 -0.714) 3.007 7.314 ( -0.701 -3.107 -0.888) 3.307 7.314 ( 0.701 -3.107 -0.888) 3.307 7.937 ( -1.273 3.701 -3.138) 5.016 7.937 ( 1.273 3.701 -3.138) 5.016 7.985 ( -0.982 -1.005 -1.293) 1.909 7.985 ( 0.982 -1.005 -1.293) 1.909 8.522 ( -2.612 7.203 -1.176) 7.752 8.522 ( 2.612 7.203 -1.176) 7.752 8.633 ( -4.708 -3.454 -0.587) 5.868 8.633 ( 4.708 -3.454 -0.587) 5.868 9.260 ( -1.639 2.958 0.131) 3.385 9.260 ( 1.639 2.958 0.131) 3.385 9.329 ( -1.943 -3.830 0.912) 4.390 9.329 ( 1.943 -3.830 0.912) 4.390 10.157 ( -2.124 2.594 0.451) 3.382 10.157 ( 2.124 2.594 0.451) 3.382 10.220 ( -2.140 -3.683 -0.136) 4.262 10.220 ( 2.140 -3.683 -0.136) 4.262 ======================= Grid point 130 (43/105) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 0.000 16.625) 16.625 1.082 ( 0.000 0.000 23.464) 23.464 1.200 ( 0.000 0.000 4.946) 4.946 1.363 ( 0.000 0.000 -6.218) 6.218 1.834 ( 0.000 0.000 -0.817) 0.817 1.856 ( 0.000 0.000 41.591) 41.591 1.930 ( 0.000 0.000 0.651) 0.651 2.040 ( 0.000 0.000 -1.642) 1.642 2.175 ( 0.000 0.000 -11.289) 11.289 2.349 ( 0.000 0.000 -7.908) 7.908 2.386 ( 0.000 0.000 -3.793) 3.793 2.387 ( 0.000 0.000 -4.011) 4.011 2.677 ( 0.000 0.000 5.390) 5.390 2.750 ( 0.000 0.000 4.242) 4.242 2.997 ( 0.000 0.000 2.285) 2.285 3.014 ( 0.000 0.000 1.946) 1.946 3.015 ( 0.000 0.000 -8.136) 8.136 3.177 ( 0.000 0.000 8.110) 8.110 3.252 ( 0.000 0.000 6.182) 6.182 3.442 ( 0.000 0.000 7.764) 7.764 3.558 ( 0.000 0.000 -5.092) 5.092 3.862 ( 0.000 0.000 -3.297) 3.297 4.219 ( 0.000 0.000 -0.840) 0.840 4.297 ( 0.000 0.000 -11.585) 11.585 6.476 ( 0.000 0.000 7.663) 7.663 6.593 ( 0.000 0.000 -4.595) 4.595 6.654 ( 0.000 0.000 2.936) 2.936 6.678 ( 0.000 0.000 5.326) 5.326 7.038 ( 0.000 0.000 -4.768) 4.768 7.056 ( 0.000 0.000 0.352) 0.352 7.154 ( 0.000 0.000 -2.893) 2.893 7.236 ( 0.000 0.000 -3.060) 3.060 7.374 ( 0.000 0.000 -7.256) 7.256 7.392 ( 0.000 0.000 1.371) 1.371 7.401 ( 0.000 0.000 -5.576) 5.576 7.483 ( 0.000 0.000 -1.710) 1.710 7.701 ( 0.000 0.000 1.839) 1.839 7.721 ( 0.000 0.000 0.529) 0.529 7.940 ( 0.000 0.000 2.675) 2.675 7.941 ( 0.000 0.000 3.278) 3.278 8.010 ( 0.000 0.000 9.577) 9.577 8.693 ( 0.000 0.000 -9.418) 9.418 9.708 ( 0.000 0.000 -4.479) 4.479 9.783 ( 0.000 0.000 -3.977) 3.977 10.354 ( 0.000 0.000 6.784) 6.784 10.547 ( 0.000 0.000 -2.096) 2.096 10.620 ( 0.000 0.000 -2.804) 2.804 10.927 ( 0.000 0.000 -11.156) 11.156 ======================= Grid point 131 (44/105) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 6.283 0.000 14.296) 15.615 1.045 ( -1.230 0.000 23.602) 23.634 1.143 ( -5.612 0.000 6.327) 8.457 1.268 ( -8.514 0.000 1.967) 8.738 1.866 ( 3.440 0.000 -6.249) 7.133 1.951 ( 1.912 0.000 0.181) 1.920 1.982 ( 6.825 0.000 19.437) 20.600 2.027 ( -1.284 0.000 -1.391) 1.893 2.174 ( 3.788 0.000 3.784) 5.354 2.386 ( 0.018 0.000 -3.838) 3.838 2.387 ( -0.010 0.000 -3.976) 3.976 2.440 ( 8.188 0.000 -6.433) 10.413 2.610 ( -6.248 0.000 9.297) 11.201 2.785 ( -0.790 0.000 0.411) 0.891 2.949 ( -3.867 0.000 -4.109) 5.643 3.000 ( 0.232 0.000 2.232) 2.244 3.011 ( -0.239 0.000 1.993) 2.007 3.109 ( -7.492 0.000 9.401) 12.021 3.232 ( 1.042 0.000 3.935) 4.070 3.338 ( -4.291 0.000 1.670) 4.605 3.749 ( 11.706 0.000 -0.685) 11.726 3.924 ( 4.653 0.000 -3.484) 5.813 4.188 ( -2.625 0.000 -2.715) 3.777 4.262 ( -3.463 0.000 -10.626) 11.176 6.500 ( 2.381 0.000 7.410) 7.783 6.603 ( 1.040 0.000 -4.100) 4.230 6.639 ( -3.519 0.000 5.812) 6.794 6.650 ( -0.562 0.000 0.643) 0.854 7.042 ( 0.996 0.000 -3.114) 3.270 7.091 ( 3.112 0.000 -0.246) 3.122 7.143 ( -1.763 0.000 -2.867) 3.366 7.214 ( -2.184 0.000 -2.587) 3.385 7.379 ( 0.476 0.000 -7.037) 7.053 7.381 ( 0.163 0.000 2.148) 2.154 7.399 ( -0.289 0.000 -5.921) 5.928 7.477 ( -2.005 0.000 0.412) 2.047 7.645 ( -1.289 0.000 2.417) 2.739 7.709 ( -1.600 0.000 0.237) 1.617 7.940 ( 0.017 0.000 2.873) 2.873 7.941 ( -0.003 0.000 3.100) 3.100 8.169 ( 12.345 0.000 4.071) 12.998 8.607 ( -8.154 0.000 -6.178) 10.230 9.722 ( 1.275 0.000 -4.423) 4.603 9.772 ( -0.981 0.000 -3.895) 4.017 10.366 ( 1.361 0.000 6.352) 6.496 10.479 ( -4.084 0.000 3.004) 5.070 10.719 ( 6.641 0.000 -9.134) 11.292 10.905 ( -2.317 0.000 -11.562) 11.791 ======================= Grid point 132 (45/105) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -8.139 0.000 9.878) 12.799 1.004 ( 8.139 0.000 9.878) 12.799 1.101 ( -7.013 0.000 15.012) 16.569 1.101 ( 7.013 0.000 15.012) 16.569 1.957 ( -5.177 0.000 -9.411) 10.741 1.957 ( 5.177 0.000 -9.411) 10.741 1.992 ( -2.162 0.000 -0.703) 2.273 1.992 ( 2.162 0.000 -0.703) 2.273 2.386 ( -0.027 0.000 -3.912) 3.912 2.386 ( 0.027 0.000 -3.912) 3.912 2.402 ( -13.954 0.000 21.526) 25.653 2.402 ( 13.954 0.000 21.526) 25.653 2.638 ( -10.481 0.000 -5.031) 11.626 2.638 ( 10.481 0.000 -5.031) 11.626 2.981 ( -5.074 0.000 2.181) 5.523 2.981 ( 5.074 0.000 2.181) 5.523 3.005 ( -0.334 0.000 2.110) 2.136 3.005 ( 0.334 0.000 2.110) 2.136 3.274 ( -2.752 0.000 3.480) 4.436 3.274 ( 2.752 0.000 3.480) 4.436 3.932 ( -5.750 0.000 -1.443) 5.928 3.932 ( 5.750 0.000 -1.443) 5.928 4.183 ( -3.356 0.000 -7.960) 8.638 4.183 ( 3.356 0.000 -7.960) 8.638 6.563 ( -3.917 0.000 6.712) 7.772 6.563 ( 3.917 0.000 6.712) 7.772 6.629 ( -1.438 0.000 -2.609) 2.979 6.629 ( 1.438 0.000 -2.609) 2.979 7.086 ( -3.310 0.000 -1.772) 3.755 7.086 ( 3.310 0.000 -1.772) 3.755 7.158 ( -3.462 0.000 -1.466) 3.760 7.158 ( 3.462 0.000 -1.466) 3.760 7.390 ( -0.575 0.000 -6.539) 6.565 7.390 ( 0.575 0.000 -6.539) 6.565 7.417 ( -3.145 0.000 2.196) 3.836 7.417 ( 3.145 0.000 2.196) 3.836 7.668 ( -2.354 0.000 0.431) 2.393 7.668 ( 2.354 0.000 0.431) 2.393 7.941 ( -0.049 0.000 2.997) 2.997 7.941 ( 0.049 0.000 2.997) 2.997 8.409 ( -11.785 0.000 -1.123) 11.838 8.409 ( 11.785 0.000 -1.123) 11.838 9.749 ( -1.356 0.000 -4.073) 4.293 9.749 ( 1.356 0.000 -4.073) 4.293 10.409 ( -3.050 0.000 5.305) 6.119 10.409 ( 3.050 0.000 5.305) 6.119 10.835 ( -4.941 0.000 -11.796) 12.789 10.835 ( 4.941 0.000 -11.796) 12.789 ======================= Grid point 135 (46/105) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 18.836 13.504) 23.177 1.095 ( 0.000 3.134 19.944) 20.189 1.420 ( 0.000 5.739 -5.412) 7.888 1.467 ( 0.000 21.531 4.243) 21.945 1.822 ( 0.000 -0.790 -0.774) 1.106 1.922 ( 0.000 4.734 27.900) 28.299 1.952 ( 0.000 4.836 6.377) 8.003 2.122 ( 0.000 5.080 -4.710) 6.927 2.209 ( 0.000 5.710 -6.637) 8.755 2.380 ( 0.000 3.723 -6.424) 7.425 2.415 ( 0.000 2.355 -4.374) 4.967 2.432 ( 0.000 3.198 -1.565) 3.560 2.652 ( 0.000 -1.913 4.531) 4.918 2.753 ( 0.000 0.432 4.468) 4.489 3.004 ( 0.000 -0.808 -6.354) 6.405 3.005 ( 0.000 0.552 1.868) 1.948 3.051 ( 0.000 3.024 1.442) 3.351 3.176 ( 0.000 0.227 7.784) 7.788 3.291 ( 0.000 4.563 5.715) 7.313 3.446 ( 0.000 0.572 8.123) 8.143 3.547 ( 0.000 -1.009 -4.843) 4.947 3.839 ( 0.000 -2.081 -3.122) 3.752 4.189 ( 0.000 -2.933 -0.670) 3.008 4.265 ( 0.000 -3.119 -11.353) 11.774 6.515 ( 0.000 1.835 0.740) 1.979 6.644 ( 0.000 -0.403 2.494) 2.526 6.753 ( 0.000 12.127 -1.342) 12.201 6.871 ( 0.000 17.418 4.132) 17.901 7.012 ( 0.000 -1.589 -5.523) 5.747 7.013 ( 0.000 -2.015 -0.874) 2.196 7.207 ( 0.000 3.094 -0.142) 3.098 7.319 ( 0.000 3.783 -0.879) 3.884 7.413 ( 0.000 2.691 -1.820) 3.249 7.434 ( 0.000 7.024 -7.018) 9.929 7.485 ( 0.000 6.710 -2.720) 7.240 7.494 ( 0.000 1.947 -1.766) 2.629 7.721 ( 0.000 0.305 0.949) 0.997 7.801 ( 0.000 10.501 -1.689) 10.636 7.952 ( 0.000 1.282 3.592) 3.814 7.994 ( 0.000 5.387 0.812) 5.447 8.081 ( 0.000 7.228 7.629) 10.510 8.702 ( 0.000 1.164 -8.700) 8.778 9.682 ( 0.000 -2.485 -4.506) 5.146 9.745 ( 0.000 -3.596 -3.970) 5.356 10.325 ( 0.000 -2.748 6.378) 6.944 10.474 ( 0.000 -6.058 0.748) 6.104 10.596 ( 0.000 -2.411 -2.832) 3.719 10.866 ( 0.000 -5.729 -9.934) 11.468 ======================= Grid point 136 (47/105) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.990 7.025 17.388) 18.780 1.144 ( 4.745 16.185 13.808) 21.798 1.315 ( -8.896 6.016 1.298) 10.818 1.406 ( -5.796 20.614 5.963) 22.228 1.856 ( 3.660 -0.299 -4.652) 5.927 1.971 ( 1.178 1.352 -0.280) 1.815 2.021 ( 5.547 5.325 16.886) 18.554 2.108 ( -1.365 5.329 -4.148) 6.890 2.227 ( 4.114 6.692 2.722) 8.314 2.396 ( -0.417 2.005 -4.166) 4.642 2.433 ( 1.142 4.063 -0.135) 4.223 2.472 ( 6.181 1.318 -5.442) 8.340 2.608 ( -4.166 0.237 7.061) 8.202 2.769 ( -0.976 -0.848 1.819) 2.232 2.948 ( -3.010 0.182 -2.575) 3.966 3.014 ( -0.337 1.251 1.915) 2.312 3.045 ( -0.428 2.689 1.634) 3.175 3.140 ( -6.734 3.466 9.013) 11.772 3.231 ( 0.317 0.198 4.110) 4.127 3.348 ( -4.243 1.452 1.356) 4.685 3.734 ( 11.101 -1.495 0.026) 11.201 3.896 ( 4.211 -2.603 -3.325) 5.964 4.161 ( -2.316 -2.605 -2.410) 4.238 4.231 ( -3.335 -2.989 -10.347) 11.275 6.534 ( 1.880 1.489 0.981) 2.592 6.631 ( -1.586 -0.351 1.492) 2.206 6.757 ( 0.610 11.777 -0.555) 11.806 6.835 ( -2.803 15.830 3.224) 16.397 7.006 ( 0.987 -1.660 -3.202) 3.739 7.048 ( 1.274 -0.014 -2.671) 2.959 7.224 ( 1.465 3.475 -0.200) 3.777 7.307 ( -1.799 5.609 -0.111) 5.891 7.390 ( -0.337 1.627 -2.226) 2.777 7.441 ( -0.365 5.006 -4.794) 6.941 7.467 ( 0.138 6.878 -3.626) 7.776 7.529 ( 0.708 5.783 -0.589) 5.856 7.682 ( -4.309 4.309 1.898) 6.383 7.713 ( -2.589 1.391 0.465) 2.975 7.979 ( 0.775 3.651 2.067) 4.266 7.991 ( -0.208 4.960 1.565) 5.205 8.226 ( 11.465 6.037 2.549) 13.206 8.626 ( -7.286 2.090 -6.097) 9.727 9.694 ( 1.088 -2.697 -4.447) 5.314 9.736 ( -0.801 -3.408 -3.951) 5.278 10.336 ( 1.267 -2.791 6.000) 6.738 10.432 ( -3.091 -4.304 3.415) 6.304 10.670 ( 5.797 -4.259 -7.008) 10.043 10.845 ( -2.247 -5.631 -10.143) 11.817 ======================= Grid point 137 (48/105) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -7.283 4.928 12.083) 14.944 1.132 ( 7.283 4.928 12.083) 14.944 1.275 ( -6.895 20.227 8.643) 23.052 1.275 ( 6.895 20.227 8.643) 23.052 1.941 ( -4.090 -0.096 -6.188) 7.418 1.941 ( 4.090 -0.096 -6.188) 7.418 2.077 ( -1.853 6.410 -0.034) 6.673 2.077 ( 1.853 6.410 -0.034) 6.673 2.357 ( -4.887 1.329 1.569) 5.302 2.357 ( 4.887 1.329 1.569) 5.302 2.489 ( -5.683 3.389 8.838) 11.040 2.489 ( 5.683 3.389 8.838) 11.040 2.643 ( -9.499 1.611 -1.899) 9.820 2.643 ( 9.499 1.611 -1.899) 9.820 2.965 ( -3.760 0.176 3.327) 5.023 2.965 ( 3.760 0.176 3.327) 5.023 3.053 ( -1.578 3.227 1.317) 3.826 3.053 ( 1.578 3.227 1.317) 3.826 3.277 ( -3.261 0.759 3.524) 4.861 3.277 ( 3.261 0.759 3.524) 4.861 3.903 ( -5.159 -2.707 -1.038) 5.918 3.903 ( 5.159 -2.707 -1.038) 5.918 4.158 ( -2.991 -2.458 -7.549) 8.484 4.158 ( 2.991 -2.458 -7.549) 8.484 6.583 ( -2.962 0.535 1.049) 3.187 6.583 ( 2.962 0.535 1.049) 3.187 6.784 ( -2.215 12.912 1.055) 13.143 6.784 ( 2.215 12.912 1.055) 13.143 7.041 ( -1.875 -0.069 -2.670) 3.263 7.041 ( 1.875 -0.069 -2.670) 3.263 7.259 ( -2.303 5.121 0.160) 5.617 7.259 ( 2.303 5.121 0.160) 5.617 7.415 ( -1.962 2.034 -2.965) 4.096 7.415 ( 1.962 2.034 -2.965) 4.096 7.495 ( -2.567 9.240 -0.921) 9.634 7.495 ( 2.567 9.240 -0.921) 9.634 7.670 ( -1.958 0.413 0.326) 2.028 7.670 ( 1.958 0.413 0.326) 2.028 7.987 ( -0.236 4.472 1.908) 4.868 7.987 ( 0.236 4.472 1.908) 4.868 8.446 ( -10.755 3.975 -1.888) 11.621 8.446 ( 10.755 3.975 -1.888) 11.621 9.717 ( -1.161 -3.059 -4.143) 5.279 9.717 ( 1.161 -3.059 -4.143) 5.279 10.375 ( -2.633 -3.206 5.117) 6.588 10.375 ( 2.633 -3.206 5.117) 6.588 10.777 ( -4.735 -5.277 -9.874) 12.156 10.777 ( 4.735 -5.277 -9.874) 12.156 ======================= Grid point 140 (49/105) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 0.000 8.497 13.786) 16.194 1.354 ( 0.000 11.008 13.687) 17.564 1.574 ( 0.000 8.397 -1.625) 8.553 1.801 ( 0.000 1.237 -0.580) 1.366 1.918 ( 0.000 17.285 -0.051) 17.285 1.948 ( 0.000 1.535 1.464) 2.121 2.203 ( 0.000 5.340 -4.942) 7.276 2.227 ( 0.000 15.859 8.004) 17.765 2.405 ( 0.000 10.372 -0.889) 10.410 2.444 ( 0.000 1.601 -0.757) 1.771 2.464 ( 0.000 2.783 -5.006) 5.728 2.498 ( 0.000 2.469 3.327) 4.143 2.653 ( 0.000 4.329 2.277) 4.891 2.778 ( 0.000 2.342 4.771) 5.315 2.992 ( 0.000 0.234 -2.454) 2.465 3.004 ( 0.000 -1.012 1.449) 1.767 3.111 ( 0.000 2.575 2.111) 3.330 3.206 ( 0.000 3.220 5.580) 6.443 3.451 ( 0.000 11.169 3.194) 11.617 3.467 ( 0.000 1.306 7.533) 7.645 3.518 ( 0.000 -1.775 -4.345) 4.694 3.797 ( 0.000 -1.220 -2.021) 2.361 4.103 ( 0.000 -5.600 -0.185) 5.603 4.176 ( 0.000 -5.498 -10.329) 11.701 6.555 ( 0.000 2.243 -0.121) 2.246 6.651 ( 0.000 1.192 1.700) 2.076 6.889 ( 0.000 1.519 1.082) 1.865 6.964 ( 0.000 -2.398 -5.603) 6.095 7.015 ( 0.000 1.532 -1.111) 1.892 7.259 ( 0.000 1.940 0.600) 2.031 7.276 ( 0.000 14.918 0.712) 14.935 7.376 ( 0.000 6.337 -3.239) 7.117 7.495 ( 0.000 4.753 -1.257) 4.916 7.503 ( 0.000 2.664 -0.409) 2.695 7.617 ( 0.000 4.563 -1.392) 4.771 7.634 ( 0.000 8.276 -0.892) 8.324 7.781 ( 0.000 6.989 2.777) 7.521 8.005 ( 0.000 4.531 2.492) 5.171 8.042 ( 0.000 8.599 -0.217) 8.601 8.192 ( 0.000 16.092 -8.567) 18.230 8.314 ( 0.000 15.906 3.898) 16.376 8.758 ( 0.000 4.905 -6.618) 8.237 9.615 ( 0.000 -3.900 -4.426) 5.899 9.650 ( 0.000 -5.416 -3.986) 6.725 10.257 ( 0.000 -3.640 5.277) 6.411 10.349 ( 0.000 -5.859 3.251) 6.701 10.527 ( 0.000 -4.327 -2.857) 5.185 10.719 ( 0.000 -8.217 -7.135) 10.883 ======================= Grid point 141 (50/105) ======================= q-point: ( 0.25 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.816 9.571 12.722) 15.942 1.418 ( -1.699 10.242 5.503) 11.750 1.489 ( 0.425 8.632 8.974) 12.458 1.784 ( -5.786 11.551 2.601) 13.178 1.903 ( 2.744 4.837 -2.357) 6.040 1.990 ( 1.266 3.190 -2.509) 4.252 2.189 ( 1.448 9.211 -1.290) 9.413 2.282 ( 1.809 13.034 2.837) 13.462 2.393 ( -0.094 7.241 -1.608) 7.418 2.454 ( -1.097 2.712 -4.632) 5.479 2.471 ( 1.790 0.065 -1.260) 2.190 2.505 ( 0.536 1.296 3.737) 3.992 2.661 ( 1.518 6.556 4.401) 8.041 2.778 ( -0.739 2.056 4.024) 4.579 2.960 ( -0.443 1.171 0.933) 1.562 3.038 ( 0.825 0.771 0.770) 1.367 3.099 ( -0.620 2.674 2.767) 3.897 3.245 ( 3.429 4.367 4.612) 7.218 3.264 ( -9.804 5.248 5.052) 12.214 3.422 ( -4.273 6.541 -0.405) 7.823 3.692 ( 9.331 -2.425 1.655) 9.782 3.836 ( 2.626 -2.671 -2.447) 4.474 4.086 ( -1.254 -4.794 -1.642) 5.220 4.149 ( -2.667 -4.928 -9.381) 10.927 6.567 ( 1.266 2.008 0.120) 2.377 6.637 ( -1.423 1.090 1.270) 2.197 6.887 ( 0.302 1.420 0.013) 1.452 6.944 ( -1.669 -1.552 -3.407) 4.099 7.056 ( 3.517 2.555 -1.562) 4.619 7.204 ( -3.446 6.288 -0.205) 7.173 7.327 ( 2.855 8.867 0.560) 9.332 7.390 ( 0.986 5.679 -2.581) 6.315 7.453 ( -1.643 4.040 -1.733) 4.693 7.515 ( -1.590 3.609 -1.462) 4.206 7.624 ( 2.808 5.484 -0.283) 6.168 7.680 ( 3.033 8.186 -0.214) 8.732 7.762 ( -1.852 7.569 2.539) 8.195 7.895 ( -7.643 12.005 2.135) 14.391 8.081 ( 1.790 6.111 -0.238) 6.372 8.147 ( -2.324 11.732 -3.389) 12.431 8.426 ( 8.180 13.724 -0.752) 15.995 8.707 ( -4.979 6.360 -5.282) 9.651 9.622 ( 0.607 -4.222 -4.356) 6.096 9.646 ( -0.419 -5.216 -4.020) 6.598 10.266 ( 1.029 -3.767 5.053) 6.385 10.331 ( -1.648 -5.188 3.850) 6.668 10.570 ( 3.839 -5.481 -4.547) 8.090 10.702 ( -1.823 -7.943 -7.124) 10.825 ======================= Grid point 142 (51/105) ======================= q-point: (-0.50 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -6.832 9.426 8.034) 14.145 1.277 ( 6.832 9.426 8.034) 14.145 1.631 ( -8.824 12.026 8.501) 17.168 1.631 ( 8.824 12.026 8.501) 17.168 1.968 ( -2.994 2.859 -5.457) 6.850 1.968 ( 2.994 2.859 -5.457) 6.850 2.253 ( -3.788 11.385 0.368) 12.004 2.253 ( 3.788 11.385 0.368) 12.004 2.421 ( -2.172 3.581 -2.990) 5.146 2.421 ( 2.172 3.581 -2.990) 5.146 2.500 ( -1.156 -1.027 0.653) 1.679 2.500 ( 1.156 -1.027 0.653) 1.679 2.725 ( -4.254 5.515 5.201) 8.692 2.725 ( 4.254 5.515 5.201) 8.692 2.999 ( -3.767 2.561 4.317) 6.276 2.999 ( 3.767 2.561 4.317) 6.276 3.128 ( -3.884 4.460 1.575) 6.120 3.128 ( 3.884 4.460 1.575) 6.120 3.330 ( -4.883 5.220 2.349) 7.524 3.330 ( 4.883 5.220 2.349) 7.524 3.831 ( -4.185 -4.267 -0.166) 5.979 3.831 ( 4.185 -4.267 -0.166) 5.979 4.092 ( -2.348 -3.833 -6.350) 7.780 4.092 ( 2.348 -3.833 -6.350) 7.780 6.601 ( -2.062 1.423 0.614) 2.580 6.601 ( 2.062 1.423 0.614) 2.580 6.909 ( -1.749 0.353 -1.489) 2.324 6.909 ( 1.749 0.353 -1.489) 2.324 7.131 ( -3.996 4.414 -1.028) 6.042 7.131 ( 3.996 4.414 -1.028) 6.042 7.377 ( -2.138 6.768 -0.631) 7.125 7.377 ( 2.138 6.768 -0.631) 7.125 7.467 ( -2.593 3.611 -2.441) 5.072 7.467 ( 2.593 3.611 -2.441) 5.072 7.698 ( -3.518 4.338 0.470) 5.605 7.698 ( 3.518 4.338 0.470) 5.605 7.764 ( -4.888 14.322 2.380) 15.319 7.764 ( 4.888 14.322 2.380) 15.319 8.112 ( -1.550 7.930 -1.283) 8.182 8.112 ( 1.550 7.930 -1.283) 8.182 8.582 ( -7.559 9.702 -3.045) 12.671 8.582 ( 7.559 9.702 -3.045) 12.671 9.635 ( -0.683 -4.771 -4.164) 6.369 9.635 ( 0.683 -4.771 -4.164) 6.369 10.295 ( -1.837 -4.290 4.550) 6.518 10.295 ( 1.837 -4.290 4.550) 6.518 10.648 ( -3.705 -7.045 -6.535) 10.299 10.648 ( 3.705 -7.045 -6.535) 10.299 ======================= Grid point 145 (52/105) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 0.000 11.234 6.961) 13.215 1.548 ( 0.000 8.991 11.487) 14.587 1.731 ( 0.000 7.235 -1.160) 7.328 1.825 ( 0.000 1.927 -1.583) 2.494 2.014 ( 0.000 4.959 -0.944) 5.048 2.137 ( 0.000 5.935 -3.994) 7.154 2.312 ( 0.000 1.960 3.172) 3.729 2.364 ( 0.000 -1.360 0.561) 1.471 2.493 ( 0.000 1.582 -5.628) 5.847 2.515 ( 0.000 0.990 0.336) 1.045 2.536 ( 0.000 5.968 -5.971) 8.443 2.583 ( 0.000 5.385 1.942) 5.724 2.819 ( 0.000 7.324 4.088) 8.388 2.853 ( 0.000 4.676 3.875) 6.073 2.970 ( 0.000 -1.825 -0.156) 1.832 3.058 ( 0.000 6.317 3.701) 7.321 3.162 ( 0.000 3.865 3.333) 5.103 3.313 ( 0.000 7.485 1.684) 7.673 3.469 ( 0.000 -1.702 3.427) 3.826 3.492 ( 0.000 0.282 -2.970) 2.984 3.711 ( 0.000 13.451 0.816) 13.475 3.833 ( 0.000 4.685 0.483) 4.710 3.972 ( 0.000 -6.769 0.859) 6.824 4.064 ( 0.000 -4.506 -6.958) 8.290 6.604 ( 0.000 2.468 0.561) 2.531 6.692 ( 0.000 2.815 0.675) 2.895 6.899 ( 0.000 0.415 -1.322) 1.386 6.909 ( 0.000 -2.933 -5.369) 6.118 7.037 ( 0.000 0.818 0.437) 0.928 7.283 ( 0.000 0.586 1.379) 1.498 7.342 ( 0.000 -0.082 -2.941) 2.942 7.517 ( 0.000 2.365 -4.811) 5.361 7.562 ( 0.000 0.494 2.568) 2.615 7.584 ( 0.000 4.281 -1.140) 4.430 7.810 ( 0.000 8.661 1.031) 8.722 7.814 ( 0.000 15.106 -0.317) 15.109 7.915 ( 0.000 4.921 2.709) 5.617 8.144 ( 0.000 2.843 -2.492) 3.780 8.162 ( 0.000 11.091 4.203) 11.860 8.534 ( 0.000 15.279 -7.386) 16.971 8.674 ( 0.000 18.280 0.848) 18.300 8.900 ( 0.000 8.565 -4.049) 9.474 9.534 ( 0.000 -3.941 -3.809) 5.481 9.543 ( 0.000 -4.932 -3.708) 6.170 10.188 ( 0.000 -3.141 4.028) 5.108 10.248 ( 0.000 -3.948 3.448) 5.242 10.428 ( 0.000 -5.326 -2.640) 5.944 10.557 ( 0.000 -7.594 -4.367) 8.760 ======================= Grid point 146 (53/105) ======================= q-point: ( 0.25 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 1.321 11.750 6.235) 13.367 1.611 ( -6.197 6.545 2.763) 9.427 1.628 ( 5.693 8.967 8.875) 13.841 1.929 ( 5.718 3.843 -3.284) 7.632 1.946 ( -5.994 3.652 3.551) 7.866 2.108 ( -2.719 5.111 -4.269) 7.193 2.329 ( 2.480 1.624 -2.873) 4.128 2.404 ( 2.889 -0.619 3.335) 4.456 2.469 ( -2.309 0.033 -5.956) 6.388 2.505 ( -1.028 1.124 -0.267) 1.547 2.538 ( 0.109 6.171 -4.907) 7.885 2.565 ( -1.598 6.209 0.824) 6.464 2.824 ( 0.525 6.634 4.394) 7.975 2.849 ( -0.441 4.422 3.733) 5.804 2.988 ( 2.066 0.554 1.969) 2.907 3.069 ( -0.028 2.760 2.678) 3.846 3.170 ( 1.551 5.676 3.304) 6.749 3.320 ( -2.679 4.364 1.771) 5.419 3.399 ( 1.033 5.926 0.371) 6.026 3.565 ( 0.307 3.741 -0.127) 3.756 3.686 ( 0.479 4.675 0.558) 4.732 3.824 ( -1.889 2.371 1.248) 3.278 3.986 ( 1.561 -4.233 -1.046) 4.631 4.054 ( -1.019 -3.261 -5.701) 6.646 6.613 ( 1.003 2.462 0.558) 2.716 6.675 ( -1.572 2.606 0.693) 3.122 6.891 ( -0.116 -0.596 -2.893) 2.956 6.910 ( -0.348 -1.371 -3.661) 3.925 7.080 ( 3.925 0.546 0.240) 3.970 7.242 ( -3.342 0.342 0.140) 3.362 7.379 ( 2.906 0.089 -1.298) 3.184 7.511 ( -2.762 0.144 -1.055) 2.960 7.532 ( 0.257 4.200 -1.914) 4.622 7.583 ( -0.925 3.988 -1.048) 4.225 7.801 ( 0.720 9.815 0.257) 9.845 7.845 ( 0.382 9.073 0.193) 9.083 7.934 ( 2.787 7.711 2.894) 8.695 8.094 ( -3.465 7.313 1.699) 8.268 8.220 ( 4.191 9.173 -0.003) 10.085 8.448 ( -6.605 15.518 -3.985) 17.330 8.736 ( 4.391 15.667 -1.886) 16.379 8.877 ( -2.292 9.789 -3.757) 10.733 9.535 ( 0.077 -4.187 -3.755) 5.625 9.541 ( -0.151 -4.896 -3.708) 6.144 10.196 ( 0.747 -3.201 3.950) 5.139 10.238 ( -0.975 -3.754 3.573) 5.273 10.455 ( 2.488 -5.811 -3.217) 7.093 10.545 ( -1.269 -7.387 -4.355) 8.669 ======================= Grid point 147 (54/105) ======================= q-point: (-0.50 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -5.198 10.608 3.922) 12.448 1.485 ( 5.198 10.608 3.922) 12.448 1.787 ( -8.959 5.758 8.189) 13.435 1.787 ( 8.959 5.758 8.189) 13.435 2.037 ( -4.621 3.501 -4.308) 7.223 2.037 ( 4.621 3.501 -4.308) 7.223 2.398 ( -3.895 -0.026 -5.665) 6.875 2.398 ( 3.895 -0.026 -5.665) 6.875 2.468 ( -2.618 0.842 2.169) 3.502 2.468 ( 2.618 0.842 2.169) 3.502 2.543 ( -0.511 6.435 -2.676) 6.988 2.543 ( 0.511 6.435 -2.676) 6.988 2.837 ( -0.739 5.133 4.117) 6.621 2.837 ( 0.739 5.133 4.117) 6.621 3.039 ( -2.653 1.219 2.905) 4.119 3.039 ( 2.653 1.219 2.905) 4.119 3.232 ( -4.502 5.645 2.338) 7.589 3.232 ( 4.502 5.645 2.338) 7.589 3.487 ( -5.842 8.582 -0.014) 10.382 3.487 ( 5.842 8.582 -0.014) 10.382 3.756 ( -4.585 -1.700 0.971) 4.986 3.756 ( 4.585 -1.700 0.971) 4.986 4.024 ( -2.017 -2.003 -3.450) 4.470 4.024 ( 2.017 -2.003 -3.450) 4.470 6.641 ( -1.758 2.449 0.611) 3.076 6.641 ( 1.758 2.449 0.611) 3.076 6.898 ( -0.686 -0.804 -3.232) 3.401 6.898 ( 0.686 -0.804 -3.232) 3.401 7.165 ( -4.454 0.332 0.028) 4.466 7.165 ( 4.454 0.332 0.028) 4.466 7.443 ( -3.588 0.318 -0.270) 3.612 7.443 ( 3.588 0.318 -0.270) 3.612 7.555 ( -1.616 4.415 -2.351) 5.256 7.555 ( 1.616 4.415 -2.351) 5.256 7.827 ( -1.581 7.442 0.212) 7.611 7.827 ( 1.581 7.442 0.212) 7.611 8.014 ( -4.612 9.169 2.581) 10.583 8.014 ( 4.612 9.169 2.581) 10.583 8.321 ( -6.133 12.642 -1.580) 14.140 8.321 ( 6.133 12.642 -1.580) 14.140 8.816 ( -3.794 12.508 -3.123) 13.438 8.816 ( 3.794 12.507 -3.123) 13.438 9.538 ( -0.194 -4.645 -3.708) 5.946 9.538 ( 0.194 -4.645 -3.708) 5.946 10.216 ( -1.233 -3.410 3.780) 5.238 10.216 ( 1.233 -3.410 3.780) 5.238 10.507 ( -2.542 -6.732 -4.051) 8.258 10.507 ( 2.542 -6.732 -4.051) 8.258 ======================= Grid point 150 (55/105) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 10.787 1.347) 10.871 1.717 ( 0.000 7.687 5.194) 9.277 1.875 ( 0.000 7.448 -1.042) 7.521 1.881 ( 0.000 3.474 -1.010) 3.618 2.124 ( 0.000 5.103 0.157) 5.106 2.224 ( 0.000 2.874 -3.645) 4.642 2.289 ( 0.000 -2.585 3.628) 4.454 2.303 ( 0.000 -3.709 0.623) 3.761 2.479 ( 0.000 -1.540 -4.678) 4.925 2.536 ( 0.000 0.544 -2.527) 2.585 2.624 ( 0.000 1.659 1.288) 2.100 2.635 ( 0.000 0.654 1.746) 1.865 2.898 ( 0.000 2.085 1.913) 2.830 2.905 ( 0.000 -0.085 -2.716) 2.717 2.962 ( 0.000 1.254 0.636) 1.406 3.108 ( 0.000 -0.332 2.780) 2.800 3.255 ( 0.000 1.285 -1.485) 1.963 3.402 ( 0.000 -2.790 -0.745) 2.888 3.497 ( 0.000 7.189 -1.379) 7.320 3.622 ( 0.000 12.966 3.624) 13.463 3.775 ( 0.000 -7.390 -1.178) 7.483 3.876 ( 0.000 -0.183 -3.198) 3.203 4.028 ( 0.000 12.323 2.307) 12.538 4.107 ( 0.000 8.812 2.448) 9.145 6.649 ( 0.000 2.034 1.072) 2.299 6.759 ( 0.000 3.664 -0.389) 3.684 6.849 ( 0.000 -2.969 -4.381) 5.293 6.912 ( 0.000 0.682 -3.496) 3.562 7.062 ( 0.000 1.927 0.081) 1.928 7.286 ( 0.000 -0.210 1.794) 1.807 7.328 ( 0.000 -1.117 -3.113) 3.308 7.485 ( 0.000 -3.713 -1.812) 4.132 7.625 ( 0.000 4.780 -0.736) 4.837 7.673 ( 0.000 4.553 -2.145) 5.033 7.960 ( 0.000 5.560 1.847) 5.859 7.977 ( 0.000 2.114 0.315) 2.138 8.088 ( 0.000 11.566 -1.464) 11.658 8.193 ( 0.000 3.041 -4.173) 5.163 8.394 ( 0.000 10.459 5.496) 11.815 8.759 ( 0.000 6.631 -3.391) 7.448 8.993 ( 0.000 12.532 -0.791) 12.556 9.065 ( 0.000 7.089 -2.409) 7.487 9.464 ( 0.000 -2.705 -2.614) 3.762 9.466 ( 0.000 -2.617 -2.024) 3.308 10.130 ( 0.000 -2.512 2.648) 3.650 10.198 ( 0.000 -1.176 2.909) 3.138 10.319 ( 0.000 -5.378 -2.061) 5.759 10.422 ( 0.000 -5.788 -2.473) 6.294 ======================= Grid point 151 (56/105) ======================= q-point: ( 0.25 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.966 10.670 1.287) 10.791 1.727 ( -0.732 5.987 2.208) 6.423 1.822 ( 0.843 9.237 3.889) 10.057 1.973 ( 3.770 2.789 -2.087) 5.133 2.056 ( -4.671 4.556 3.059) 7.207 2.177 ( -3.888 1.522 -2.851) 5.056 2.312 ( 2.885 -1.443 -3.868) 5.036 2.367 ( 3.776 -2.047 2.170) 4.812 2.451 ( -2.256 -1.218 -3.922) 4.686 2.517 ( -1.979 0.050 -1.582) 2.534 2.626 ( 0.227 1.857 0.944) 2.095 2.636 ( -0.049 1.222 1.362) 1.831 2.901 ( 0.397 2.007 1.636) 2.620 2.915 ( 0.273 1.701 0.160) 1.730 2.984 ( 2.461 -0.390 -0.372) 2.520 3.091 ( -1.720 -0.455 2.275) 2.888 3.271 ( 1.709 1.533 -1.207) 2.594 3.390 ( -2.758 -0.306 0.406) 2.804 3.474 ( 1.403 3.820 -3.636) 5.457 3.664 ( -3.794 0.869 1.087) 4.042 3.727 ( 3.777 5.568 -0.548) 6.750 3.924 ( 0.228 2.063 0.816) 2.230 4.007 ( 0.191 10.543 1.234) 10.617 4.099 ( -1.162 7.535 1.771) 7.827 6.662 ( 1.236 2.273 0.851) 2.724 6.737 ( -1.990 3.395 -0.145) 3.938 6.857 ( 0.900 -2.221 -4.089) 4.740 6.904 ( -0.833 0.156 -3.664) 3.761 7.098 ( 3.305 1.442 -0.090) 3.607 7.244 ( -3.305 -0.033 0.185) 3.310 7.364 ( 2.580 -1.496 -1.379) 3.286 7.467 ( -1.904 -3.447 -0.908) 4.041 7.626 ( 0.632 5.228 -2.121) 5.677 7.673 ( -0.413 4.810 -2.083) 5.258 7.943 ( -0.754 4.344 0.491) 4.436 7.968 ( -1.404 3.033 0.882) 3.457 8.112 ( 2.734 9.778 -1.143) 10.217 8.203 ( -0.086 5.405 -2.096) 5.798 8.434 ( 4.344 9.845 3.736) 11.391 8.693 ( -6.120 7.961 -1.738) 10.191 9.009 ( 1.455 10.885 -1.705) 11.114 9.060 ( -0.607 7.675 -2.454) 8.081 9.458 ( -0.301 -3.298 -2.460) 4.125 9.464 ( -0.330 -2.620 -2.290) 3.495 10.139 ( 0.963 -2.245 2.722) 3.657 10.188 ( -0.978 -1.316 2.901) 3.332 10.342 ( 2.018 -5.383 -2.205) 6.157 10.412 ( -0.985 -5.725 -2.488) 6.319 ======================= Grid point 152 (57/105) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -2.387 8.999 0.924) 9.356 1.685 ( 2.387 8.999 0.924) 9.356 1.907 ( -6.269 6.373 5.583) 10.540 1.907 ( 6.269 6.373 5.583) 10.540 2.093 ( -4.694 1.641 -2.996) 5.806 2.093 ( 4.694 1.641 -2.996) 5.806 2.373 ( -2.955 -1.240 -5.104) 6.027 2.373 ( 2.955 -1.240 -5.104) 6.027 2.463 ( -3.267 -0.693 0.861) 3.449 2.463 ( 3.267 -0.693 0.861) 3.449 2.632 ( -0.327 1.874 0.865) 2.090 2.632 ( 0.327 1.874 0.865) 2.090 2.911 ( -0.498 2.277 1.537) 2.792 2.911 ( 0.498 2.277 1.537) 2.792 3.043 ( -3.104 -0.834 0.801) 3.312 3.043 ( 3.104 -0.834 0.801) 3.312 3.321 ( -3.411 2.023 -0.593) 4.010 3.321 ( 3.411 2.023 -0.593) 4.010 3.551 ( -5.628 -1.940 -3.454) 6.882 3.551 ( 5.628 -1.940 -3.454) 6.882 3.846 ( -6.203 9.649 3.038) 11.866 3.846 ( 6.203 9.649 3.038) 11.866 4.058 ( -3.026 5.776 0.725) 6.561 4.058 ( 3.026 5.776 0.725) 6.561 6.695 ( -2.108 2.821 0.353) 3.539 6.695 ( 2.108 2.821 0.353) 3.539 6.881 ( -1.414 -0.928 -3.813) 4.171 6.881 ( 1.414 -0.928 -3.813) 4.171 7.171 ( -3.994 0.537 -0.201) 4.035 7.171 ( 3.994 0.537 -0.201) 4.035 7.418 ( -2.897 -2.387 -0.665) 3.812 7.418 ( 2.897 -2.387 -0.665) 3.812 7.651 ( -1.602 5.252 -2.531) 6.046 7.651 ( 1.602 5.252 -2.531) 6.046 7.943 ( -0.782 3.484 0.267) 3.581 7.943 ( 0.782 3.484 0.267) 3.581 8.172 ( -2.847 7.874 -0.457) 8.386 8.172 ( 2.847 7.874 -0.457) 8.386 8.554 ( -7.429 9.091 0.809) 11.769 8.554 ( 7.429 9.091 0.809) 11.769 9.039 ( -1.441 8.980 -2.386) 9.403 9.039 ( 1.441 8.980 -2.386) 9.403 9.457 ( -0.220 -3.259 -2.429) 4.071 9.457 ( 0.220 -3.259 -2.429) 4.071 10.164 ( -1.396 -1.699 2.846) 3.596 10.164 ( 1.396 -1.699 2.846) 3.596 10.383 ( -1.991 -5.543 -2.427) 6.370 10.383 ( 1.991 -5.543 -2.427) 6.370 ======================= Grid point 155 (58/105) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.000 7.922 -2.487) 8.303 1.853 ( 0.000 5.892 -0.725) 5.937 1.956 ( 0.000 3.630 0.332) 3.645 2.019 ( 0.000 5.577 -0.020) 5.577 2.189 ( 0.000 1.188 2.413) 2.689 2.220 ( 0.000 -2.118 0.757) 2.249 2.246 ( 0.000 -0.825 -1.328) 1.563 2.275 ( 0.000 0.623 0.280) 0.683 2.443 ( 0.000 -1.952 -2.816) 3.427 2.553 ( 0.000 1.319 -1.413) 1.933 2.612 ( 0.000 -2.036 3.169) 3.767 2.624 ( 0.000 -1.919 1.546) 2.464 2.897 ( 0.000 -0.196 -5.080) 5.084 2.925 ( 0.000 0.595 1.137) 1.283 2.989 ( 0.000 1.417 0.944) 1.703 3.086 ( 0.000 -1.564 2.124) 2.637 3.251 ( 0.000 -0.123 -4.145) 4.147 3.348 ( 0.000 -2.086 -1.081) 2.350 3.537 ( 0.000 -2.630 -6.163) 6.701 3.621 ( 0.000 -7.173 -1.391) 7.306 3.894 ( 0.000 12.089 4.178) 12.790 3.957 ( 0.000 7.420 0.710) 7.454 4.255 ( 0.000 9.418 1.938) 9.616 4.293 ( 0.000 8.121 3.343) 8.782 6.685 ( 0.000 1.539 0.909) 1.788 6.792 ( 0.000 -2.492 -2.680) 3.659 6.833 ( 0.000 3.415 -1.654) 3.794 6.922 ( 0.000 0.287 -4.209) 4.219 7.117 ( 0.000 3.528 -1.018) 3.672 7.278 ( 0.000 -0.492 1.569) 1.644 7.301 ( 0.000 -1.543 -2.560) 2.989 7.399 ( 0.000 -4.638 -1.325) 4.823 7.725 ( 0.000 4.845 -2.261) 5.347 7.762 ( 0.000 3.991 -2.773) 4.860 8.001 ( 0.000 0.479 -2.294) 2.344 8.016 ( 0.000 0.457 -1.539) 1.605 8.291 ( 0.000 6.232 -2.189) 6.605 8.295 ( 0.000 9.002 -1.132) 9.073 8.552 ( 0.000 5.168 3.909) 6.480 8.802 ( 0.000 -1.801 -1.589) 2.402 9.161 ( 0.000 4.446 -1.752) 4.778 9.172 ( 0.000 3.652 -0.675) 3.714 9.434 ( 0.000 -0.453 -0.841) 0.955 9.440 ( 0.000 0.013 0.664) 0.664 10.095 ( 0.000 -0.840 1.337) 1.579 10.193 ( 0.000 0.552 1.956) 2.032 10.216 ( 0.000 -4.721 -1.396) 4.923 10.324 ( 0.000 -3.962 -1.179) 4.133 ======================= Grid point 156 (59/105) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 0.179 7.464 -1.947) 7.716 1.850 ( -0.320 5.967 -0.921) 6.046 1.974 ( 2.016 5.043 1.946) 5.769 2.046 ( 2.452 3.433 -1.306) 4.417 2.117 ( -4.548 2.604 3.750) 6.444 2.174 ( -3.896 -0.571 -1.976) 4.405 2.287 ( 3.667 -1.459 -1.615) 4.265 2.345 ( 3.734 -0.316 -0.818) 3.836 2.427 ( -1.006 -1.004 -1.239) 1.886 2.526 ( -2.589 1.132 -0.631) 2.895 2.618 ( 0.455 -2.136 2.684) 3.460 2.627 ( 0.172 -2.039 1.782) 2.714 2.918 ( 1.617 0.147 -2.791) 3.229 2.939 ( 1.480 0.735 0.061) 1.653 2.984 ( -0.227 0.621 0.730) 0.984 3.067 ( -1.912 -1.616 1.504) 2.921 3.271 ( 2.024 -0.174 -3.593) 4.127 3.352 ( 0.025 -1.921 -1.033) 2.182 3.492 ( -3.169 -2.378 -5.912) 7.117 3.558 ( -4.949 -6.137 -2.539) 8.283 3.958 ( 5.579 11.450 3.476) 13.203 4.025 ( 5.149 7.325 1.800) 9.133 4.222 ( -2.943 9.158 2.107) 9.847 4.267 ( -2.721 7.547 2.860) 8.517 6.703 ( 1.823 1.870 0.603) 2.680 6.805 ( -2.524 3.252 -1.106) 4.263 6.812 ( 1.978 -2.112 -2.821) 4.041 6.905 ( -1.708 -0.127 -3.935) 4.291 7.141 ( 2.203 2.840 -1.146) 3.773 7.245 ( -2.536 0.255 0.042) 2.549 7.324 ( 1.639 -2.303 -1.247) 3.090 7.387 ( -1.154 -4.267 -1.197) 4.580 7.734 ( 1.070 5.242 -2.881) 6.077 7.770 ( 0.396 4.577 -2.946) 5.457 7.983 ( -1.336 0.275 -1.972) 2.398 7.995 ( -1.755 -0.137 -1.617) 2.390 8.297 ( 1.946 8.377 -0.991) 8.657 8.340 ( 1.922 7.799 -1.531) 8.177 8.573 ( 2.670 3.866 3.097) 5.627 8.761 ( -4.060 -0.760 -0.901) 4.227 9.166 ( 0.510 4.916 -1.482) 5.160 9.175 ( 0.207 4.194 -0.730) 4.262 9.408 ( -1.385 -1.812 -0.455) 2.326 9.432 ( -1.412 -0.890 -0.343) 1.704 10.112 ( 1.586 -0.451 1.484) 2.218 10.180 ( -1.214 0.389 1.777) 2.187 10.243 ( 2.212 -4.371 -1.237) 5.053 10.315 ( -0.974 -4.007 -1.204) 4.296 ======================= Grid point 157 (60/105) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -0.407 6.638 -1.246) 6.766 1.842 ( 0.407 6.638 -1.246) 6.766 2.033 ( -3.914 4.964 3.623) 7.286 2.033 ( 3.914 4.964 3.623) 7.286 2.103 ( -3.371 0.650 -2.305) 4.135 2.103 ( 3.371 0.650 -2.305) 4.135 2.351 ( -2.588 -1.431 -3.558) 4.626 2.351 ( 2.588 -1.431 -3.558) 4.626 2.461 ( -3.830 0.816 1.115) 4.072 2.461 ( 3.830 0.816 1.115) 4.072 2.626 ( -0.309 -2.175 2.218) 3.122 2.626 ( 0.309 -2.175 2.218) 3.122 2.945 ( -1.066 1.351 -0.100) 1.724 2.945 ( 1.066 1.351 -0.100) 1.724 3.015 ( -3.108 -1.578 0.059) 3.486 3.015 ( 3.108 -1.578 0.059) 3.486 3.323 ( -2.911 -0.598 -2.151) 3.669 3.323 ( 2.911 -0.598 -2.151) 3.669 3.479 ( -2.352 -4.472 -4.609) 6.839 3.479 ( 2.352 -4.472 -4.609) 6.839 4.061 ( -3.416 10.606 3.217) 11.597 4.061 ( 3.416 10.606 3.217) 11.597 4.202 ( -2.694 6.807 2.004) 7.590 4.202 ( 2.694 6.807 2.004) 7.590 6.750 ( -2.873 2.621 -0.172) 3.893 6.750 ( 2.873 2.621 -0.172) 3.893 6.860 ( -2.703 -1.136 -3.288) 4.405 6.860 ( 2.703 -1.136 -3.288) 4.405 7.192 ( -2.822 1.493 -0.825) 3.297 7.192 ( 2.822 1.493 -0.825) 3.297 7.358 ( -1.771 -3.364 -1.056) 3.945 7.358 ( 1.771 -3.364 -1.056) 3.945 7.761 ( -1.304 5.494 -3.331) 6.556 7.761 ( 1.304 5.494 -3.331) 6.556 7.970 ( -0.389 -0.390 -1.617) 1.708 7.970 ( 0.389 -0.390 -1.617) 1.708 8.340 ( -1.737 8.534 -0.684) 8.736 8.340 ( 1.737 8.534 -0.684) 8.736 8.660 ( -5.703 1.426 0.848) 5.939 8.660 ( 5.703 1.426 0.848) 5.939 9.176 ( -0.275 5.102 -0.987) 5.204 9.176 ( 0.275 5.102 -0.987) 5.204 9.403 ( -0.979 -2.519 -0.719) 2.796 9.403 ( 0.979 -2.519 -0.719) 2.796 10.148 ( -1.951 0.165 1.691) 2.587 10.148 ( 1.951 0.165 1.691) 2.587 10.286 ( -2.017 -4.143 -1.239) 4.772 10.286 ( 2.017 -4.143 -1.239) 4.772 ======================= Grid point 160 (61/105) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 0.000 3.699 -1.747) 4.091 1.958 ( 0.000 4.092 -3.395) 5.317 2.006 ( 0.000 1.150 0.808) 1.406 2.046 ( 0.000 -2.032 -1.381) 2.457 2.188 ( 0.000 -0.898 -0.260) 0.935 2.189 ( 0.000 -0.710 1.056) 1.273 2.290 ( 0.000 1.224 0.384) 1.282 2.290 ( 0.000 2.861 -1.198) 3.102 2.423 ( 0.000 1.462 1.912) 2.407 2.520 ( 0.000 -6.141 2.725) 6.718 2.583 ( 0.000 1.339 -0.965) 1.651 2.602 ( 0.000 -0.728 0.472) 0.867 2.903 ( 0.000 0.774 -2.687) 2.796 2.921 ( 0.000 -0.773 -0.375) 0.859 3.019 ( 0.000 1.551 0.686) 1.696 3.052 ( 0.000 -1.695 1.240) 2.100 3.273 ( 0.000 2.152 -4.134) 4.660 3.315 ( 0.000 -1.610 -2.536) 3.003 3.478 ( 0.000 -1.613 -4.959) 5.215 3.504 ( 0.000 -4.014 -2.616) 4.791 4.069 ( 0.000 4.820 2.880) 5.615 4.081 ( 0.000 3.466 1.784) 3.898 4.390 ( 0.000 3.823 2.385) 4.506 4.404 ( 0.000 2.522 2.949) 3.881 6.714 ( 0.000 1.475 0.121) 1.480 6.748 ( 0.000 -1.909 -1.169) 2.239 6.892 ( 0.000 2.224 -2.782) 3.561 6.920 ( 0.000 -0.636 -3.863) 3.915 7.197 ( 0.000 4.266 -1.659) 4.578 7.268 ( 0.000 -2.015 -1.534) 2.532 7.273 ( 0.000 0.234 0.506) 0.558 7.308 ( 0.000 -3.882 -1.240) 4.075 7.804 ( 0.000 2.635 -2.546) 3.664 7.819 ( 0.000 1.290 -2.540) 2.849 8.003 ( 0.000 -0.032 -4.139) 4.139 8.009 ( 0.000 -0.588 -4.230) 4.270 8.408 ( 0.000 4.517 -0.922) 4.610 8.429 ( 0.000 3.283 -0.866) 3.395 8.625 ( 0.000 3.398 1.062) 3.560 8.720 ( 0.000 -5.397 -0.841) 5.462 9.206 ( 0.000 1.002 -0.530) 1.133 9.213 ( 0.000 0.548 0.255) 0.605 9.438 ( 0.000 0.631 0.702) 0.943 9.447 ( 0.000 0.083 1.419) 1.422 10.097 ( 0.000 0.987 0.346) 1.046 10.137 ( 0.000 -3.038 -0.554) 3.088 10.216 ( 0.000 1.646 0.782) 1.823 10.259 ( 0.000 -2.656 -0.225) 2.666 ======================= Grid point 161 (62/105) ======================= q-point: ( 0.25 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -0.020 3.983 -1.801) 4.371 1.957 ( -0.087 4.558 -2.551) 5.224 2.014 ( 0.753 -0.652 0.234) 1.023 2.042 ( -0.402 -2.677 -1.299) 3.002 2.176 ( 0.123 2.822 0.225) 2.834 2.223 ( 0.655 1.677 0.599) 1.897 2.255 ( 0.050 0.844 0.489) 0.977 2.323 ( 0.406 -2.565 -1.803) 3.162 2.437 ( 2.000 2.924 2.167) 4.153 2.532 ( 1.059 -5.152 2.217) 5.707 2.560 ( -2.208 1.393 -0.482) 2.655 2.591 ( -1.114 -1.578 0.661) 2.042 2.924 ( 2.007 0.619 -2.059) 2.941 2.939 ( 1.756 -0.603 -0.261) 1.874 3.006 ( -1.360 1.331 0.499) 1.967 3.034 ( -1.782 -1.549 0.863) 2.514 3.289 ( 1.650 1.935 -4.020) 4.757 3.325 ( 1.014 -1.155 -2.573) 2.998 3.435 ( -3.724 -1.837 -4.871) 6.401 3.456 ( -4.040 -3.630 -3.008) 6.208 4.129 ( 5.436 4.938 2.682) 7.818 4.144 ( 5.652 3.250 2.065) 6.839 4.353 ( -3.647 3.736 2.436) 5.761 4.369 ( -3.515 2.262 2.760) 5.009 6.738 ( 2.371 1.671 -0.175) 2.906 6.773 ( 2.478 -1.813 -1.406) 3.377 6.863 ( -2.763 2.297 -2.130) 4.177 6.895 ( -2.441 -0.978 -3.284) 4.207 7.207 ( 0.978 3.618 -1.739) 4.132 7.258 ( -1.238 1.209 -0.340) 1.763 7.275 ( 0.594 -2.704 -1.253) 3.039 7.304 ( -0.490 -3.622 -1.348) 3.896 7.824 ( 1.965 3.230 -2.961) 4.803 7.841 ( 1.946 1.832 -2.854) 3.910 7.974 ( -2.676 -0.641 -3.824) 4.711 7.979 ( -2.542 -1.006 -3.828) 4.704 8.441 ( 3.164 5.598 -0.637) 6.462 8.475 ( 3.682 3.821 -1.098) 5.419 8.610 ( -1.161 1.536 0.950) 2.147 8.692 ( -2.770 -5.132 -0.728) 5.877 9.224 ( 1.837 1.789 -0.105) 2.566 9.236 ( 2.217 1.119 0.151) 2.488 9.389 ( -3.947 0.259 0.848) 4.045 9.411 ( -3.553 -1.340 0.808) 3.882 10.121 ( 2.244 1.361 0.458) 2.664 10.165 ( 2.398 -2.856 -0.485) 3.760 10.204 ( -1.144 1.527 0.753) 2.051 10.248 ( -1.119 -2.740 -0.254) 2.970 ======================= Grid point 162 (63/105) ======================= q-point: (-0.50 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -0.204 4.599 -1.809) 4.946 1.954 ( 0.204 4.599 -1.809) 4.946 2.030 ( -0.819 -2.926 -0.849) 3.155 2.030 ( 0.819 -2.926 -0.849) 3.155 2.195 ( -1.724 6.063 0.799) 6.354 2.195 ( 1.724 6.063 0.799) 6.354 2.299 ( -2.500 -3.917 -0.704) 4.700 2.299 ( 2.500 -3.917 -0.704) 4.700 2.498 ( -3.597 2.693 0.659) 4.542 2.498 ( 3.597 2.693 0.659) 4.542 2.563 ( -1.665 -3.587 1.354) 4.180 2.563 ( 1.665 -3.587 1.354) 4.180 2.968 ( -1.945 0.989 -0.383) 2.215 2.968 ( 1.945 0.989 -0.383) 2.215 2.988 ( -2.523 -1.129 -0.005) 2.765 2.988 ( 2.523 -1.129 -0.005) 2.765 3.331 ( -1.929 1.731 -3.242) 4.151 3.331 ( 1.929 1.731 -3.242) 4.151 3.391 ( -1.389 -3.958 -4.136) 5.891 3.391 ( 1.389 -3.958 -4.136) 5.891 4.234 ( -2.190 5.977 2.662) 6.900 4.234 ( 2.190 5.977 2.662) 6.900 4.286 ( -2.142 0.975 2.309) 3.296 4.286 ( 2.142 0.975 2.309) 3.296 6.798 ( -3.538 2.097 -1.010) 4.235 6.798 ( 3.538 2.097 -1.010) 4.235 6.834 ( -3.536 -1.516 -2.157) 4.410 6.834 ( 3.536 -1.516 -2.157) 4.410 7.232 ( -1.405 2.479 -1.322) 3.141 7.232 ( 1.405 2.479 -1.322) 3.141 7.290 ( -0.892 -3.261 -1.373) 3.649 7.290 ( 0.892 -3.261 -1.373) 3.649 7.864 ( -0.944 4.511 -3.659) 5.885 7.864 ( 0.944 4.511 -3.659) 5.885 7.937 ( -0.526 -2.748 -3.106) 4.181 7.937 ( 0.526 -2.748 -3.106) 4.181 8.502 ( -2.044 7.360 -0.592) 7.661 8.502 ( 2.044 7.360 -0.592) 7.661 8.624 ( -3.393 -4.427 -0.114) 5.579 8.624 ( 3.393 -4.427 -0.114) 5.579 9.266 ( -1.192 4.177 0.378) 4.360 9.266 ( 1.192 4.177 0.378) 4.360 9.344 ( -1.587 -3.455 0.410) 3.824 9.344 ( 1.587 -3.455 0.410) 3.824 10.168 ( -2.252 1.727 0.593) 2.899 10.168 ( 2.252 1.727 0.593) 2.899 10.215 ( -2.223 -2.938 -0.308) 3.697 10.215 ( 2.223 -2.938 -0.308) 3.697 ======================= Grid point 195 (64/105) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 0.000 11.659) 11.659 1.278 ( 0.000 0.000 1.956) 1.956 1.340 ( 0.000 0.000 4.307) 4.307 1.501 ( 0.000 0.000 15.094) 15.094 1.860 ( 0.000 0.000 -0.311) 0.311 1.945 ( 0.000 0.000 0.855) 0.855 1.998 ( 0.000 0.000 0.143) 0.143 2.002 ( 0.000 0.000 -1.937) 1.937 2.174 ( 0.000 0.000 -9.120) 9.120 2.313 ( 0.000 0.000 -2.841) 2.841 2.314 ( 0.000 0.000 -2.826) 2.826 2.507 ( 0.000 0.000 4.380) 4.380 2.736 ( 0.000 0.000 6.639) 6.639 2.814 ( 0.000 0.000 1.790) 1.790 2.897 ( 0.000 0.000 9.315) 9.315 3.037 ( 0.000 0.000 1.505) 1.505 3.046 ( 0.000 0.000 1.097) 1.097 3.301 ( 0.000 0.000 4.420) 4.420 3.358 ( 0.000 0.000 3.169) 3.169 3.550 ( 0.000 0.000 3.284) 3.284 3.616 ( 0.000 0.000 6.968) 6.968 3.767 ( 0.000 0.000 -7.942) 7.942 4.026 ( 0.000 0.000 -11.747) 11.747 4.149 ( 0.000 0.000 -5.727) 5.727 6.546 ( 0.000 0.000 0.203) 0.203 6.655 ( 0.000 0.000 9.396) 9.396 6.669 ( 0.000 0.000 -2.117) 2.117 6.795 ( 0.000 0.000 5.551) 5.551 6.982 ( 0.000 0.000 0.223) 0.223 7.052 ( 0.000 0.000 -1.207) 1.207 7.095 ( 0.000 0.000 -2.970) 2.970 7.120 ( 0.000 0.000 -7.842) 7.842 7.273 ( 0.000 0.000 -2.541) 2.541 7.295 ( 0.000 0.000 -4.222) 4.222 7.408 ( 0.000 0.000 0.401) 0.401 7.447 ( 0.000 0.000 -1.725) 1.725 7.731 ( 0.000 0.000 0.971) 0.971 7.733 ( 0.000 0.000 0.577) 0.577 7.986 ( 0.000 0.000 1.694) 1.694 7.991 ( 0.000 0.000 1.588) 1.588 8.202 ( 0.000 0.000 8.762) 8.762 8.517 ( 0.000 0.000 -7.796) 7.796 9.634 ( 0.000 0.000 -2.206) 2.206 9.694 ( 0.000 0.000 -4.210) 4.210 10.454 ( 0.000 0.000 2.722) 2.722 10.530 ( 0.000 0.000 1.223) 1.223 10.556 ( 0.000 0.000 -3.312) 3.312 10.722 ( 0.000 0.000 -8.252) 8.252 ======================= Grid point 196 (65/105) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 2.829 0.000 10.193) 10.578 1.250 ( -2.778 0.000 3.389) 4.382 1.368 ( 2.937 0.000 7.560) 8.111 1.499 ( -0.715 0.000 18.099) 18.113 1.783 ( -4.922 0.000 -4.452) 6.637 1.895 ( -7.618 0.000 -4.003) 8.606 1.955 ( 0.930 0.000 0.304) 0.978 1.995 ( -0.695 0.000 -1.636) 1.777 2.293 ( 8.875 0.000 -6.656) 11.093 2.313 ( 0.022 0.000 -2.835) 2.835 2.314 ( -0.021 0.000 -2.827) 2.827 2.540 ( 0.460 0.000 -6.791) 6.806 2.725 ( -0.149 0.000 12.426) 12.427 2.788 ( -1.577 0.000 3.733) 4.052 2.973 ( 6.945 0.000 12.095) 13.947 3.039 ( 0.117 0.000 1.443) 1.448 3.045 ( -0.133 0.000 1.155) 1.162 3.314 ( -0.338 0.000 3.986) 4.000 3.338 ( -3.468 0.000 8.406) 9.093 3.398 ( -6.144 0.000 4.801) 7.797 3.728 ( 6.175 0.000 -2.015) 6.496 3.860 ( 7.803 0.000 -4.877) 9.202 3.978 ( -4.619 0.000 -11.795) 12.667 4.115 ( -3.575 0.000 -6.106) 7.076 6.559 ( 1.363 0.000 -0.055) 1.364 6.645 ( -2.237 0.000 -1.642) 2.775 6.672 ( 1.729 0.000 9.012) 9.176 6.770 ( -2.363 0.000 6.416) 6.838 7.001 ( 1.809 0.000 -0.442) 1.862 7.068 ( 1.414 0.000 -2.479) 2.854 7.082 ( -1.381 0.000 -3.010) 3.312 7.114 ( -0.578 0.000 -7.059) 7.082 7.275 ( 0.180 0.000 -2.768) 2.774 7.290 ( -0.421 0.000 -3.990) 4.012 7.416 ( 1.487 0.000 1.507) 2.117 7.474 ( 1.414 0.000 -0.745) 1.598 7.689 ( -2.755 0.000 1.737) 3.257 7.715 ( -1.862 0.000 0.230) 1.876 7.987 ( 0.095 0.000 1.683) 1.686 7.991 ( -0.060 0.000 1.605) 1.607 8.267 ( 5.757 0.000 5.067) 7.669 8.481 ( -3.558 0.000 -5.809) 6.812 9.647 ( 1.155 0.000 -2.457) 2.715 9.688 ( -0.588 0.000 -3.811) 3.856 10.457 ( 0.448 0.000 2.437) 2.478 10.510 ( -1.676 0.000 0.490) 1.746 10.588 ( 2.828 0.000 -3.507) 4.506 10.702 ( -1.972 0.000 -7.670) 7.919 ======================= Grid point 197 (66/105) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -3.929 0.000 6.771) 7.828 1.182 ( 3.929 0.000 6.771) 7.828 1.446 ( -4.447 0.000 15.944) 16.553 1.446 ( 4.447 0.000 15.944) 16.553 1.770 ( -4.028 0.000 -7.209) 8.258 1.770 ( 4.028 0.000 -7.209) 8.258 1.976 ( -1.127 0.000 -0.785) 1.373 1.976 ( 1.127 0.000 -0.785) 1.373 2.314 ( -0.032 0.000 -2.829) 2.829 2.314 ( 0.032 0.000 -2.829) 2.829 2.459 ( -7.586 0.000 -9.430) 12.103 2.459 ( 7.586 0.000 -9.430) 12.103 2.755 ( -2.140 0.000 9.129) 9.377 2.755 ( 2.140 0.000 9.129) 9.377 3.042 ( -0.177 0.000 1.297) 1.309 3.042 ( 0.177 0.000 1.297) 1.309 3.145 ( -10.369 0.000 13.808) 17.268 3.145 ( 10.369 0.000 13.808) 17.268 3.353 ( -1.553 0.000 3.673) 3.988 3.353 ( 1.553 0.000 3.673) 3.988 3.857 ( -6.871 0.000 -6.777) 9.650 3.857 ( 6.871 0.000 -6.777) 9.650 4.013 ( -6.805 0.000 -7.044) 9.794 4.013 ( 6.805 0.000 -7.044) 9.794 6.597 ( -2.431 0.000 -0.751) 2.544 6.597 ( 2.431 0.000 -0.751) 2.544 6.717 ( -2.763 0.000 7.918) 8.386 6.717 ( 2.763 0.000 7.918) 8.386 7.044 ( -2.384 0.000 -1.993) 3.107 7.044 ( 2.384 0.000 -1.993) 3.107 7.096 ( -1.321 0.000 -4.968) 5.141 7.096 ( 1.321 0.000 -4.968) 5.141 7.281 ( -0.466 0.000 -3.386) 3.418 7.281 ( 0.466 0.000 -3.386) 3.418 7.462 ( -2.483 0.000 1.947) 3.155 7.462 ( 2.483 0.000 1.947) 3.155 7.676 ( -1.479 0.000 0.296) 1.508 7.676 ( 1.479 0.000 0.296) 1.508 7.989 ( -0.111 0.000 1.647) 1.651 7.989 ( 0.111 0.000 1.647) 1.651 8.387 ( -5.963 0.000 -0.929) 6.035 8.387 ( 5.963 0.000 -0.929) 6.035 9.671 ( -1.179 0.000 -3.052) 3.272 9.671 ( 1.179 0.000 -3.052) 3.272 10.476 ( -1.564 0.000 1.420) 2.112 10.476 ( 1.564 0.000 1.420) 2.112 10.650 ( -3.207 0.000 -5.859) 6.679 10.650 ( 3.207 0.000 -5.859) 6.679 ======================= Grid point 200 (67/105) ======================= q-point: ( 0.00 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 16.977 10.550) 19.988 1.394 ( 0.000 6.082 3.065) 6.810 1.428 ( 0.000 6.166 9.162) 11.043 1.553 ( 0.000 11.358 5.034) 12.424 1.832 ( 0.000 -1.025 -0.441) 1.116 1.955 ( 0.000 0.978 -0.657) 1.178 2.016 ( 0.000 2.367 -0.512) 2.422 2.154 ( 0.000 12.182 0.019) 12.182 2.192 ( 0.000 -0.414 -5.171) 5.188 2.319 ( 0.000 3.171 -1.966) 3.731 2.335 ( 0.000 1.758 -2.895) 3.387 2.544 ( 0.000 1.946 -2.959) 3.541 2.737 ( 0.000 0.970 9.434) 9.484 2.816 ( 0.000 0.389 1.592) 1.639 2.926 ( 0.000 3.174 10.279) 10.758 3.044 ( 0.000 0.531 1.828) 1.903 3.077 ( 0.000 2.647 0.881) 2.790 3.297 ( 0.000 -0.211 4.361) 4.366 3.376 ( 0.000 1.758 1.581) 2.364 3.549 ( 0.000 0.186 4.227) 4.231 3.629 ( 0.000 1.062 7.431) 7.506 3.746 ( 0.000 -1.719 -7.381) 7.578 3.998 ( 0.000 -2.663 -11.976) 12.268 4.122 ( 0.000 -2.722 -5.716) 6.331 6.541 ( 0.000 0.565 1.785) 1.872 6.663 ( 0.000 -0.298 -1.417) 1.448 6.801 ( 0.000 10.694 5.443) 11.999 6.924 ( 0.000 -3.076 -2.080) 3.713 6.964 ( 0.000 15.359 3.972) 15.865 6.989 ( 0.000 -2.036 -1.345) 2.440 7.225 ( 0.000 6.074 1.567) 6.273 7.271 ( 0.000 2.946 -5.363) 6.119 7.311 ( 0.000 11.002 -2.419) 11.265 7.336 ( 0.000 4.984 -4.974) 7.041 7.454 ( 0.000 5.553 -0.851) 5.618 7.460 ( 0.000 2.038 -1.456) 2.505 7.744 ( 0.000 1.500 1.188) 1.913 7.781 ( 0.000 5.930 -0.662) 5.966 8.002 ( 0.000 0.934 1.557) 1.816 8.013 ( 0.000 2.426 0.780) 2.549 8.246 ( 0.000 4.865 7.943) 9.314 8.537 ( 0.000 2.334 -7.292) 7.657 9.606 ( 0.000 -2.689 -2.416) 3.615 9.657 ( 0.000 -3.517 -4.119) 5.416 10.420 ( 0.000 -3.181 2.751) 4.206 10.494 ( 0.000 -3.325 2.152) 3.960 10.530 ( 0.000 -2.530 -3.428) 4.261 10.682 ( 0.000 -3.737 -7.454) 8.338 ======================= Grid point 201 (68/105) ======================= q-point: ( 0.25 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 2.233 15.091 10.224) 18.365 1.378 ( -0.411 7.774 5.842) 9.733 1.459 ( 1.529 5.946 8.869) 10.787 1.526 ( -2.604 10.596 8.249) 13.678 1.778 ( -3.112 0.313 -3.283) 4.534 1.882 ( -5.600 1.083 -5.177) 7.703 2.053 ( 2.101 6.109 1.243) 6.579 2.122 ( -1.865 9.944 0.007) 10.117 2.258 ( 4.315 -0.772 -3.397) 5.546 2.325 ( -0.256 1.709 -2.544) 3.075 2.361 ( 3.418 2.867 -4.662) 6.453 2.537 ( -1.769 -0.535 -7.779) 7.995 2.744 ( 0.949 2.051 10.733) 10.968 2.797 ( -1.368 1.037 3.030) 3.482 2.989 ( 5.729 2.122 11.627) 13.134 3.049 ( 0.386 0.853 1.857) 2.079 3.077 ( 0.398 2.749 1.864) 3.345 3.313 ( 0.830 -0.026 3.747) 3.838 3.361 ( -3.847 2.584 7.150) 8.520 3.394 ( -6.605 -0.302 5.135) 8.372 3.734 ( 5.389 0.666 -1.178) 5.556 3.833 ( 7.487 -2.634 -3.679) 8.748 3.957 ( -3.865 -1.976 -12.324) 13.066 4.087 ( -3.536 -2.681 -6.049) 7.503 6.555 ( 1.441 0.507 1.330) 2.026 6.640 ( -2.096 -0.046 -0.964) 2.308 6.815 ( 1.495 10.082 5.516) 11.590 6.915 ( -2.727 6.501 2.629) 7.524 6.952 ( 1.607 2.471 -0.357) 2.969 7.005 ( 0.274 1.665 -1.648) 2.359 7.220 ( -0.003 4.592 -0.940) 4.687 7.273 ( -1.796 9.126 -5.412) 10.761 7.296 ( 0.999 2.507 -2.040) 3.383 7.344 ( -0.403 7.956 -4.209) 9.010 7.454 ( 2.412 5.161 1.167) 5.815 7.517 ( 3.053 5.002 -0.915) 5.932 7.714 ( -3.778 2.700 1.197) 4.796 7.725 ( -3.238 2.206 0.536) 3.955 8.011 ( 0.497 1.862 1.038) 2.189 8.015 ( 0.119 2.493 0.834) 2.631 8.306 ( 5.291 4.256 4.575) 8.188 8.504 ( -3.295 2.597 -5.498) 6.916 9.617 ( 0.997 -2.854 -2.621) 4.001 9.652 ( -0.491 -3.424 -3.777) 5.121 10.424 ( 0.519 -3.067 2.512) 3.998 10.475 ( -1.577 -3.285 1.155) 3.822 10.560 ( 2.621 -2.703 -3.328) 5.025 10.664 ( -1.789 -3.564 -6.921) 7.988 ======================= Grid point 202 (69/105) ======================= q-point: (-0.50 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -1.370 11.190 8.109) 13.887 1.370 ( 1.370 11.190 8.109) 13.887 1.477 ( -1.426 7.707 11.408) 13.841 1.477 ( 1.426 7.707 11.408) 13.841 1.782 ( -3.636 1.959 -7.050) 8.171 1.782 ( 3.636 1.959 -7.050) 8.171 2.089 ( -1.722 8.810 0.713) 9.005 2.089 ( 1.722 8.810 0.713) 9.005 2.311 ( -1.342 0.315 -2.489) 2.845 2.311 ( 1.342 0.315 -2.489) 2.845 2.459 ( -5.670 -0.056 -8.244) 10.006 2.459 ( 5.670 -0.056 -8.244) 10.006 2.771 ( -1.447 1.671 7.018) 7.358 2.771 ( 1.447 1.671 7.018) 7.358 3.053 ( -0.377 1.099 1.724) 2.079 3.053 ( 0.377 1.099 1.724) 2.079 3.172 ( -9.427 2.527 12.910) 16.184 3.172 ( 9.427 2.527 12.910) 16.184 3.354 ( -1.613 0.379 3.503) 3.875 3.354 ( 1.613 0.379 3.503) 3.875 3.845 ( -5.829 -1.176 -5.610) 8.175 3.845 ( 5.829 -1.176 -5.610) 8.175 3.988 ( -6.491 -2.330 -7.365) 10.090 3.988 ( 6.491 -2.330 -7.365) 10.090 6.594 ( -2.401 0.307 0.198) 2.429 6.594 ( 2.401 0.307 0.198) 2.429 6.858 ( -2.778 9.164 5.048) 10.825 6.858 ( 2.778 9.164 5.048) 10.825 6.990 ( -1.713 1.073 -1.963) 2.818 6.990 ( 1.713 1.073 -1.963) 2.818 7.235 ( -1.558 5.475 -3.183) 6.522 7.235 ( 1.558 5.475 -3.183) 6.522 7.323 ( -1.396 6.131 -3.484) 7.188 7.323 ( 1.396 6.131 -3.484) 7.188 7.523 ( -3.198 7.722 1.970) 8.587 7.523 ( 3.198 7.722 1.970) 8.587 7.675 ( -1.450 0.118 0.175) 1.465 7.675 ( 1.450 0.118 0.175) 1.465 8.016 ( -0.052 2.447 0.908) 2.610 8.016 ( 0.052 2.447 0.908) 2.610 8.416 ( -5.531 3.308 -1.025) 6.526 8.416 ( 5.531 3.308 -1.025) 6.526 9.638 ( -1.013 -3.174 -3.124) 4.567 9.638 ( 1.013 -3.174 -3.124) 4.567 10.443 ( -1.457 -3.089 1.699) 3.815 10.443 ( 1.457 -3.089 1.699) 3.815 10.617 ( -2.937 -3.143 -5.290) 6.819 10.617 ( 2.937 -3.143 -5.290) 6.819 ======================= Grid point 205 (70/105) ======================= q-point: ( 0.00 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 3.004 11.467) 11.853 1.512 ( 0.000 8.402 3.522) 9.110 1.664 ( 0.000 13.580 8.228) 15.878 1.779 ( 0.000 2.829 -3.318) 4.361 1.908 ( 0.000 9.688 2.175) 9.929 1.956 ( 0.000 -1.576 -0.179) 1.586 2.142 ( 0.000 11.938 -2.767) 12.254 2.209 ( 0.000 3.917 -5.773) 6.977 2.361 ( 0.000 0.925 -2.221) 2.406 2.412 ( 0.000 4.220 -1.837) 4.603 2.414 ( 0.000 11.570 0.231) 11.573 2.538 ( 0.000 -2.126 -3.460) 4.061 2.804 ( 0.000 4.928 5.720) 7.550 2.840 ( 0.000 2.342 1.366) 2.712 3.033 ( 0.000 7.405 11.887) 14.005 3.046 ( 0.000 -0.697 2.633) 2.723 3.135 ( 0.000 2.942 0.901) 3.077 3.303 ( 0.000 1.068 3.755) 3.904 3.418 ( 0.000 1.826 -2.429) 3.038 3.586 ( 0.000 4.695 6.080) 7.681 3.622 ( 0.000 -2.784 3.915) 4.804 3.747 ( 0.000 3.092 -1.294) 3.352 3.930 ( 0.000 -3.544 -12.125) 12.633 4.044 ( 0.000 -4.808 -5.354) 7.196 6.570 ( 0.000 2.134 1.610) 2.673 6.667 ( 0.000 0.805 -0.764) 1.110 6.870 ( 0.000 -2.520 -2.724) 3.711 6.890 ( 0.000 -1.256 -1.153) 1.705 7.044 ( 0.000 5.026 4.235) 6.572 7.283 ( 0.000 1.424 1.861) 2.343 7.284 ( 0.000 1.604 -4.851) 5.109 7.308 ( 0.000 12.410 1.173) 12.465 7.469 ( 0.000 6.963 -1.392) 7.100 7.473 ( 0.000 6.347 -2.126) 6.694 7.603 ( 0.000 8.180 -0.018) 8.180 7.622 ( 0.000 9.429 -0.421) 9.439 7.847 ( 0.000 9.613 3.557) 10.250 8.025 ( 0.000 18.059 -3.793) 18.453 8.035 ( 0.000 3.664 0.761) 3.742 8.061 ( 0.000 1.952 -2.359) 3.062 8.415 ( 0.000 12.029 5.473) 13.216 8.630 ( 0.000 7.279 -5.630) 9.202 9.536 ( 0.000 -3.908 -2.813) 4.815 9.566 ( 0.000 -5.125 -3.779) 6.368 10.342 ( 0.000 -4.157 2.992) 5.121 10.409 ( 0.000 -4.802 3.185) 5.762 10.461 ( 0.000 -4.170 -3.414) 5.390 10.584 ( 0.000 -5.674 -5.747) 8.076 ======================= Grid point 206 (71/105) ======================= q-point: ( 0.25 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -0.693 4.947 10.558) 11.680 1.528 ( -1.223 5.582 7.127) 9.136 1.681 ( 2.377 11.599 6.278) 13.402 1.761 ( -0.972 5.437 -3.029) 6.299 1.883 ( -1.081 9.143 -1.140) 9.277 1.952 ( -2.841 5.721 1.238) 6.506 2.152 ( 3.088 4.872 -2.648) 6.347 2.246 ( 1.589 5.826 -5.122) 7.918 2.354 ( -0.474 1.129 -1.854) 2.222 2.386 ( -1.526 8.280 -1.065) 8.486 2.438 ( 1.508 5.223 -1.243) 5.577 2.518 ( -1.915 -0.917 -3.320) 3.941 2.811 ( 0.598 4.311 4.860) 6.524 2.835 ( -0.498 2.861 2.045) 3.552 3.056 ( 1.293 1.080 1.779) 2.450 3.071 ( 2.345 3.798 8.685) 9.765 3.142 ( 1.690 3.963 4.579) 6.287 3.322 ( 1.304 1.230 3.256) 3.717 3.390 ( -3.747 0.384 2.483) 4.511 3.452 ( -5.555 6.090 5.480) 9.898 3.755 ( 5.383 -0.841 4.144) 6.845 3.771 ( 3.408 -0.588 -4.230) 5.464 3.911 ( -1.483 -2.030 -12.137) 12.394 4.014 ( -3.063 -4.340 -5.661) 7.763 6.582 ( 1.177 1.970 1.318) 2.646 6.650 ( -1.624 1.046 -0.408) 1.974 6.871 ( 0.281 -2.016 -1.550) 2.558 6.891 ( -0.195 -1.938 -1.622) 2.535 7.074 ( 2.874 5.302 3.512) 6.979 7.220 ( -3.760 3.240 1.634) 5.225 7.305 ( 1.061 10.435 -4.156) 11.282 7.343 ( 1.428 2.530 -0.824) 3.020 7.418 ( -1.459 6.850 -0.800) 7.049 7.485 ( -1.702 5.499 -1.750) 6.016 7.628 ( 3.682 6.417 0.684) 7.429 7.671 ( 3.212 8.433 -0.757) 9.056 7.826 ( -1.799 11.846 3.512) 12.486 7.928 ( -6.172 15.976 0.480) 17.134 8.067 ( 0.549 2.431 -1.523) 2.921 8.074 ( 0.831 6.331 -2.416) 6.827 8.457 ( 3.828 11.009 2.922) 12.016 8.605 ( -2.512 7.756 -4.410) 9.269 9.543 ( 0.599 -4.156 -2.898) 5.102 9.564 ( -0.252 -4.998 -3.568) 6.146 10.348 ( 0.600 -4.129 2.819) 5.035 10.393 ( -1.357 -4.557 2.284) 5.275 10.486 ( 2.208 -4.457 -3.140) 5.882 10.570 ( -1.387 -5.469 -5.385) 7.799 ======================= Grid point 207 (72/105) ======================= q-point: (-0.50 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -2.622 4.838 10.358) 11.729 1.477 ( 2.622 4.838 10.358) 11.729 1.738 ( -2.241 9.144 -0.142) 9.415 1.738 ( 2.241 9.144 -0.142) 9.415 1.888 ( -2.126 9.044 -0.021) 9.291 1.888 ( 2.126 9.044 -0.021) 9.291 2.228 ( -3.388 3.799 -3.233) 6.030 2.228 ( 3.388 3.799 -3.233) 6.030 2.359 ( -1.099 4.550 -1.859) 5.037 2.359 ( 1.099 4.550 -1.859) 5.037 2.475 ( -2.243 2.314 -2.315) 3.968 2.475 ( 2.243 2.314 -2.315) 3.968 2.823 ( -0.658 3.530 3.441) 4.973 2.823 ( 0.658 3.530 3.441) 4.973 3.080 ( -0.943 1.203 1.227) 1.960 3.080 ( 0.943 1.203 1.227) 1.960 3.239 ( -7.237 3.767 10.295) 13.136 3.239 ( 7.237 3.767 10.295) 13.136 3.387 ( -2.592 3.599 2.858) 5.276 3.387 ( 2.592 3.599 2.858) 5.276 3.811 ( -1.902 -2.159 -2.236) 3.644 3.811 ( 1.902 -2.159 -2.236) 3.644 3.935 ( -4.408 -2.284 -7.869) 9.304 3.935 ( 4.408 -2.284 -7.869) 9.304 6.613 ( -1.937 1.544 0.508) 2.528 6.613 ( 1.937 1.544 0.508) 2.528 6.881 ( -0.675 -2.018 -1.283) 2.484 6.881 ( 0.675 -2.018 -1.283) 2.484 7.144 ( -4.021 5.147 2.453) 6.976 7.144 ( 4.021 5.147 2.453) 6.976 7.332 ( -1.627 7.521 -3.710) 8.543 7.332 ( 1.627 7.521 -3.710) 8.543 7.439 ( -2.521 4.169 -0.331) 4.883 7.439 ( 2.521 4.169 -0.331) 4.883 7.698 ( -1.953 3.026 -0.310) 3.615 7.698 ( 1.953 3.026 -0.310) 3.615 7.823 ( -3.301 19.096 2.899) 19.595 7.823 ( 3.301 19.096 2.899) 19.595 8.077 ( -0.330 3.928 -1.867) 4.362 8.077 ( 0.330 3.928 -1.867) 4.362 8.539 ( -4.123 9.129 -1.239) 10.093 8.539 ( 4.123 9.129 -1.239) 10.093 9.555 ( -0.595 -4.638 -3.168) 5.648 9.555 ( 0.595 -4.638 -3.168) 5.648 10.366 ( -1.259 -4.239 2.365) 5.014 10.366 ( 1.259 -4.239 2.365) 5.014 10.533 ( -2.364 -4.971 -4.292) 6.980 10.533 ( 2.364 -4.971 -4.292) 6.980 ======================= Grid point 210 (73/105) ======================= q-point: ( 0.00 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 0.000 5.207 7.149) 8.844 1.691 ( 0.000 8.864 0.469) 8.876 1.823 ( 0.000 2.842 1.092) 3.044 1.833 ( 0.000 2.355 12.462) 12.683 1.952 ( 0.000 4.132 -4.531) 6.133 2.054 ( 0.000 5.749 -2.192) 6.153 2.299 ( 0.000 3.167 -8.756) 9.311 2.342 ( 0.000 -0.896 -6.569) 6.630 2.426 ( 0.000 11.354 0.974) 11.395 2.433 ( 0.000 -2.311 3.325) 4.049 2.523 ( 0.000 1.500 -0.687) 1.650 2.588 ( 0.000 5.415 -1.679) 5.669 2.891 ( 0.000 3.321 2.397) 4.095 2.907 ( 0.000 3.212 1.501) 3.546 3.010 ( 0.000 -2.605 3.484) 4.350 3.138 ( 0.000 1.233 0.773) 1.455 3.224 ( 0.000 4.500 5.359) 6.998 3.348 ( 0.000 3.105 1.266) 3.353 3.478 ( 0.000 6.992 1.597) 7.173 3.549 ( 0.000 -3.254 3.855) 5.045 3.731 ( 0.000 6.846 0.748) 6.886 3.796 ( 0.000 -0.997 -4.918) 5.018 3.937 ( 0.000 7.128 -3.600) 7.986 3.953 ( 0.000 -2.086 -2.227) 3.052 6.620 ( 0.000 2.612 1.164) 2.859 6.695 ( 0.000 1.979 -0.858) 2.157 6.822 ( 0.000 -2.230 -2.432) 3.300 6.860 ( 0.000 -1.262 -2.297) 2.621 7.093 ( 0.000 0.625 4.620) 4.662 7.281 ( 0.000 -0.600 -3.162) 3.218 7.304 ( 0.000 0.632 1.049) 1.225 7.415 ( 0.000 1.030 -4.759) 4.869 7.581 ( 0.000 4.186 0.581) 4.226 7.601 ( 0.000 2.825 0.925) 2.973 7.814 ( 0.000 13.702 0.519) 13.712 7.827 ( 0.000 10.551 0.657) 10.571 7.959 ( 0.000 1.296 1.589) 2.051 8.074 ( 0.000 -0.194 -4.162) 4.167 8.248 ( 0.000 14.885 4.190) 15.463 8.417 ( 0.000 18.198 -4.403) 18.723 8.706 ( 0.000 15.670 2.188) 15.822 8.819 ( 0.000 10.657 -3.522) 11.224 9.462 ( 0.000 -3.126 -2.829) 4.216 9.469 ( 0.000 -4.086 -3.073) 5.113 10.262 ( 0.000 -3.832 3.073) 4.912 10.314 ( 0.000 -4.234 3.190) 5.301 10.371 ( 0.000 -4.630 -2.787) 5.404 10.467 ( 0.000 -5.700 -4.263) 7.118 ======================= Grid point 211 (74/105) ======================= q-point: ( 0.25 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 0.237 6.045 7.275) 9.461 1.660 ( -3.580 6.456 3.080) 7.999 1.799 ( 2.209 4.691 3.025) 6.003 1.916 ( 0.512 7.832 0.161) 7.850 1.946 ( 2.707 -0.008 1.906) 3.311 2.064 ( 0.342 5.136 0.091) 5.148 2.263 ( -2.433 3.602 -6.222) 7.590 2.307 ( -2.796 -2.008 -6.083) 6.990 2.428 ( 1.214 4.632 -3.391) 5.867 2.488 ( 3.299 3.960 3.727) 6.361 2.499 ( -2.041 2.420 -1.866) 3.675 2.581 ( -1.039 4.966 0.250) 5.079 2.893 ( 0.271 3.428 2.258) 4.114 2.906 ( -0.138 3.477 1.735) 3.888 3.037 ( 2.421 -2.085 2.337) 3.959 3.124 ( -1.409 0.591 0.503) 1.609 3.244 ( 2.111 3.874 5.501) 7.052 3.363 ( -0.347 2.767 1.911) 3.380 3.428 ( -1.008 2.692 2.991) 4.148 3.570 ( -1.865 5.197 -0.425) 5.538 3.711 ( 1.673 -1.415 1.892) 2.895 3.837 ( 0.970 5.987 -0.935) 6.137 3.906 ( -1.136 -0.043 -4.739) 4.873 3.957 ( -0.543 2.745 -3.743) 4.674 6.628 ( 0.904 2.534 1.024) 2.879 6.681 ( -1.294 2.069 -0.383) 2.470 6.828 ( 0.625 -1.996 -2.155) 3.004 6.855 ( -0.459 -1.377 -2.245) 2.674 7.118 ( 2.295 0.254 3.164) 3.917 7.230 ( -3.055 -0.325 -1.193) 3.296 7.362 ( 3.624 0.176 -0.335) 3.644 7.434 ( 1.582 1.741 -3.951) 4.599 7.545 ( -2.885 3.972 1.165) 5.045 7.578 ( -2.349 3.801 0.087) 4.469 7.799 ( 0.106 10.079 -0.019) 10.079 7.839 ( -0.536 9.154 -0.857) 9.210 7.990 ( 3.299 3.436 2.385) 5.326 8.088 ( 0.458 1.447 -2.172) 2.650 8.250 ( 0.790 15.962 2.914) 16.245 8.377 ( -3.705 18.075 -2.926) 18.682 8.725 ( 1.790 14.443 0.625) 14.567 8.804 ( -1.484 11.154 -3.095) 11.670 9.464 ( 0.132 -3.391 -2.806) 4.403 9.469 ( -0.056 -4.071 -2.983) 5.047 10.268 ( 0.607 -3.754 3.048) 4.873 10.304 ( -0.888 -3.910 2.913) 4.956 10.390 ( 1.747 -4.909 -2.864) 5.946 10.457 ( -1.056 -5.578 -4.090) 6.997 ======================= Grid point 212 (75/105) ======================= q-point: (-0.50 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -2.598 6.326 6.229) 9.251 1.594 ( 2.598 6.326 6.229) 9.251 1.865 ( -3.680 5.367 -2.104) 6.839 1.865 ( 3.680 5.367 -2.104) 6.839 2.032 ( -3.839 4.410 4.934) 7.651 2.032 ( 3.839 4.410 4.934) 7.651 2.256 ( -1.895 -0.161 -6.881) 7.139 2.256 ( 1.895 -0.161 -6.881) 7.139 2.459 ( -1.899 3.636 -3.331) 5.284 2.459 ( 1.899 3.636 -3.331) 5.284 2.546 ( -2.505 4.469 2.529) 5.713 2.546 ( 2.505 4.469 2.529) 5.713 2.901 ( -0.420 3.561 2.033) 4.122 2.901 ( 0.420 3.561 2.033) 4.122 3.087 ( -2.426 -0.658 0.796) 2.637 3.087 ( 2.426 -0.658 0.796) 2.637 3.303 ( -3.794 2.416 5.100) 6.800 3.303 ( 3.794 2.416 5.100) 6.800 3.488 ( -4.964 3.959 -0.208) 6.353 3.488 ( 4.964 3.959 -0.208) 6.353 3.786 ( -4.496 1.619 1.765) 5.094 3.786 ( 4.496 1.619 1.765) 5.094 3.930 ( -2.026 2.609 -5.270) 6.220 3.930 ( 2.026 2.609 -5.270) 6.220 6.653 ( -1.507 2.314 0.492) 2.805 6.653 ( 1.507 2.314 0.492) 2.805 6.843 ( -0.797 -1.639 -2.075) 2.761 6.843 ( 0.797 -1.639 -2.075) 2.761 7.171 ( -3.010 -0.300 0.539) 3.073 7.171 ( 3.010 -0.300 0.539) 3.073 7.430 ( -2.905 0.868 -0.891) 3.160 7.430 ( 2.905 0.868 -0.891) 3.160 7.527 ( -2.053 4.637 -0.364) 5.084 7.527 ( 2.053 4.637 -0.364) 5.084 7.816 ( -1.346 7.606 -0.992) 7.787 7.816 ( 1.346 7.606 -0.992) 7.787 8.061 ( -3.159 4.230 1.474) 5.481 8.061 ( 3.159 4.230 1.474) 5.481 8.297 ( -3.878 17.106 -0.406) 17.545 8.297 ( 3.878 17.106 -0.406) 17.545 8.766 ( -2.223 12.496 -1.690) 12.804 8.766 ( 2.223 12.496 -1.690) 12.804 9.467 ( -0.146 -3.854 -2.839) 4.789 9.467 ( 0.146 -3.854 -2.839) 4.789 10.285 ( -1.028 -3.678 2.933) 4.815 10.285 ( 1.028 -3.678 2.932) 4.815 10.427 ( -1.876 -5.275 -3.530) 6.619 10.427 ( 1.876 -5.275 -3.530) 6.619 ======================= Grid point 215 (76/105) ======================= q-point: ( 0.00 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.000 5.913 2.526) 6.430 1.799 ( 0.000 1.172 -0.695) 1.363 1.898 ( 0.000 4.410 2.704) 5.173 1.906 ( 0.000 7.526 6.944) 10.241 2.074 ( 0.000 6.007 -3.891) 7.157 2.154 ( 0.000 3.930 -2.953) 4.915 2.295 ( 0.000 -3.009 -5.187) 5.997 2.301 ( 0.000 -2.159 -2.827) 3.557 2.412 ( 0.000 0.890 4.096) 4.192 2.548 ( 0.000 0.623 1.231) 1.380 2.593 ( 0.000 4.919 -1.726) 5.213 2.648 ( 0.000 1.021 -3.413) 3.563 2.892 ( 0.000 -3.826 3.032) 4.882 2.938 ( 0.000 1.377 1.767) 2.240 2.996 ( 0.000 0.878 1.685) 1.900 3.129 ( 0.000 -1.661 -2.312) 2.847 3.236 ( 0.000 -1.621 1.544) 2.239 3.369 ( 0.000 -1.718 -2.537) 3.064 3.513 ( 0.000 -1.716 2.852) 3.328 3.676 ( 0.000 0.960 -0.758) 1.223 3.746 ( 0.000 6.326 0.079) 6.327 3.814 ( 0.000 5.325 -2.470) 5.870 4.079 ( 0.000 11.313 2.543) 11.595 4.138 ( 0.000 11.011 0.408) 11.019 6.667 ( 0.000 2.013 0.839) 2.181 6.740 ( 0.000 1.985 -2.130) 2.911 6.785 ( 0.000 -1.064 -0.913) 1.402 6.845 ( 0.000 -0.218 -2.888) 2.896 7.100 ( 0.000 0.538 3.546) 3.587 7.265 ( 0.000 -0.979 -3.169) 3.317 7.307 ( 0.000 -0.319 0.584) 0.665 7.405 ( 0.000 -1.906 -4.747) 5.116 7.648 ( 0.000 2.641 1.760) 3.174 7.656 ( 0.000 3.544 0.256) 3.554 7.962 ( 0.000 -0.427 -1.129) 1.207 7.983 ( 0.000 2.127 0.120) 2.130 8.073 ( 0.000 11.547 -0.256) 11.550 8.104 ( 0.000 5.983 -3.641) 7.004 8.508 ( 0.000 9.861 5.444) 11.263 8.694 ( 0.000 8.590 -3.335) 9.215 8.987 ( 0.000 11.207 0.237) 11.210 9.021 ( 0.000 8.863 -1.579) 9.003 9.415 ( 0.000 -1.127 -1.895) 2.205 9.423 ( 0.000 -0.552 -1.950) 2.027 10.184 ( 0.000 -3.719 2.583) 4.528 10.254 ( 0.000 -1.858 2.579) 3.178 10.276 ( 0.000 -4.742 -2.078) 5.177 10.365 ( 0.000 -4.243 -2.905) 5.142 ======================= Grid point 216 (77/105) ======================= q-point: ( 0.25 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.721 5.989 2.446) 6.509 1.759 ( -2.726 3.603 0.972) 4.622 1.921 ( 2.146 6.693 1.200) 7.131 1.963 ( 4.147 2.685 5.040) 7.057 2.051 ( -1.599 5.224 -2.565) 6.035 2.156 ( -0.902 3.618 -0.846) 3.823 2.254 ( -1.916 -2.225 -2.094) 3.606 2.294 ( -1.708 0.026 -5.533) 5.790 2.438 ( 2.337 -0.123 2.217) 3.223 2.528 ( -1.796 0.552 0.726) 2.014 2.603 ( 0.944 4.088 -1.431) 4.433 2.643 ( -0.616 1.345 -2.319) 2.751 2.925 ( 2.368 -2.075 2.129) 3.801 2.942 ( 0.439 1.521 1.708) 2.329 3.004 ( 1.255 -0.412 1.592) 2.069 3.111 ( -1.885 -1.629 -1.275) 2.799 3.257 ( 2.266 -1.376 1.125) 2.880 3.394 ( 2.639 -2.230 -3.160) 4.682 3.430 ( -5.970 -0.395 2.431) 6.458 3.603 ( -7.123 -4.792 -4.418) 9.655 3.794 ( 6.654 11.638 4.152) 14.034 3.917 ( 5.757 4.742 -1.644) 7.637 4.044 ( -3.105 11.634 2.390) 12.276 4.115 ( -2.354 10.049 -0.213) 10.323 6.677 ( 0.950 2.164 0.757) 2.482 6.728 ( -1.134 2.374 -1.035) 2.827 6.794 ( 0.945 -1.251 -1.518) 2.182 6.838 ( -0.765 -0.415 -2.730) 2.865 7.118 ( 1.762 0.233 2.062) 2.722 7.221 ( -3.039 -0.398 -2.020) 3.671 7.349 ( 3.009 -1.383 -0.053) 3.312 7.420 ( 0.841 -2.533 -3.067) 4.066 7.617 ( -1.576 3.885 0.875) 4.283 7.653 ( -1.205 3.730 -0.278) 3.930 7.930 ( -1.374 2.185 -1.211) 2.852 7.959 ( -2.586 1.265 -1.778) 3.384 8.106 ( 3.700 9.094 0.491) 9.830 8.156 ( 2.528 6.473 -2.031) 7.240 8.522 ( 1.745 9.972 4.536) 11.094 8.660 ( -3.315 9.115 -1.775) 9.860 8.987 ( 0.203 10.769 -0.443) 10.780 9.016 ( -0.645 9.252 -1.674) 9.424 9.410 ( -0.298 -1.653 -1.894) 2.532 9.418 ( -0.487 -1.031 -2.027) 2.325 10.195 ( 1.078 -3.334 2.670) 4.405 10.244 ( -0.906 -2.132 2.646) 3.516 10.295 ( 1.676 -4.455 -2.299) 5.286 10.356 ( -0.924 -4.227 -2.860) 5.187 ======================= Grid point 217 (78/105) ======================= q-point: (-0.50 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -1.797 5.485 1.959) 6.096 1.714 ( 1.797 5.485 1.959) 6.096 1.972 ( -2.613 5.280 -0.871) 5.956 1.972 ( 2.613 5.280 -0.871) 5.956 2.091 ( -4.810 1.815 3.816) 6.403 2.091 ( 4.810 1.815 3.816) 6.403 2.257 ( -1.685 0.708 -4.921) 5.250 2.257 ( 1.685 0.708 -4.921) 5.250 2.486 ( -2.458 0.071 0.675) 2.550 2.486 ( 2.458 0.071 0.675) 2.550 2.625 ( -1.173 2.521 -1.352) 3.092 2.625 ( 1.173 2.521 -1.352) 3.092 2.947 ( -0.240 1.027 1.732) 2.028 2.947 ( 0.240 1.027 1.732) 2.028 3.057 ( -3.488 -2.055 0.375) 4.066 3.057 ( 3.488 -2.055 0.375) 4.066 3.324 ( -4.611 -0.572 1.166) 4.791 3.324 ( 4.611 -0.572 1.166) 4.791 3.475 ( -5.608 -3.861 -3.648) 7.724 3.475 ( 5.608 -3.861 -3.648) 7.724 3.921 ( -5.570 10.150 3.678) 12.148 3.921 ( 5.570 10.150 3.678) 12.148 4.050 ( -4.018 8.636 -1.299) 9.614 4.050 ( 4.018 8.636 -1.299) 9.614 6.701 ( -1.460 2.425 0.258) 2.842 6.701 ( 1.460 2.425 0.258) 2.842 6.817 ( -1.259 -0.913 -2.262) 2.745 6.817 ( 1.259 -0.913 -2.262) 2.745 7.163 ( -2.785 -0.179 -0.454) 2.828 7.163 ( 2.785 -0.179 -0.454) 2.828 7.406 ( -2.406 -2.632 -0.332) 3.581 7.406 ( 2.406 -2.632 -0.332) 3.581 7.618 ( -1.682 4.580 -0.819) 4.947 7.618 ( 1.682 4.580 -0.819) 4.947 7.923 ( -0.778 2.109 -1.711) 2.825 7.923 ( 0.778 2.109 -1.711) 2.825 8.165 ( -1.686 7.319 -0.220) 7.514 8.165 ( 1.686 7.319 -0.220) 7.514 8.581 ( -4.170 9.836 1.595) 10.802 8.581 ( 4.170 9.836 1.595) 10.802 8.999 ( -0.936 9.985 -1.451) 10.134 8.999 ( 0.936 9.985 -1.451) 10.134 9.409 ( -0.245 -1.830 -1.991) 2.715 9.409 ( 0.245 -1.830 -1.991) 2.715 10.221 ( -1.414 -2.622 2.731) 4.041 10.221 ( 1.414 -2.622 2.731) 4.041 10.330 ( -1.739 -4.252 -2.665) 5.311 10.330 ( 1.739 -4.252 -2.665) 5.311 ======================= Grid point 220 (79/105) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 5.448 -0.752) 5.499 1.834 ( 0.000 2.928 -1.297) 3.202 1.984 ( 0.000 3.704 2.420) 4.425 2.039 ( 0.000 3.476 2.246) 4.139 2.160 ( 0.000 3.009 -3.915) 4.938 2.198 ( 0.000 0.164 -2.202) 2.208 2.248 ( 0.000 -0.633 0.167) 0.655 2.275 ( 0.000 -0.172 -0.956) 0.971 2.440 ( 0.000 1.648 3.375) 3.756 2.555 ( 0.000 0.369 1.161) 1.218 2.625 ( 0.000 -1.418 -1.637) 2.165 2.642 ( 0.000 -1.434 -1.788) 2.292 2.840 ( 0.000 -0.417 1.367) 1.429 2.944 ( 0.000 -0.851 0.313) 0.907 3.011 ( 0.000 0.825 1.159) 1.422 3.092 ( 0.000 -1.542 -2.360) 2.819 3.204 ( 0.000 -1.015 0.697) 1.231 3.316 ( 0.000 -2.912 -2.413) 3.781 3.449 ( 0.000 -3.833 -1.714) 4.199 3.553 ( 0.000 -6.954 -4.313) 8.183 3.977 ( 0.000 10.503 2.957) 10.912 3.980 ( 0.000 9.055 1.422) 9.166 4.297 ( 0.000 9.430 2.113) 9.664 4.339 ( 0.000 8.301 0.993) 8.360 6.698 ( 0.000 1.069 0.454) 1.162 6.743 ( 0.000 -0.910 -2.043) 2.237 6.805 ( 0.000 2.072 -0.869) 2.247 6.847 ( 0.000 0.240 -2.978) 2.988 7.124 ( 0.000 1.942 1.831) 2.669 7.246 ( 0.000 -0.740 -2.750) 2.848 7.293 ( 0.000 -0.952 0.145) 0.963 7.347 ( 0.000 -3.527 -3.155) 4.732 7.710 ( 0.000 3.353 0.480) 3.387 7.726 ( 0.000 3.357 -0.686) 3.427 7.944 ( 0.000 -1.203 -2.718) 2.973 7.963 ( 0.000 -2.198 -3.109) 3.807 8.265 ( 0.000 8.096 -0.294) 8.101 8.280 ( 0.000 8.939 -0.528) 8.955 8.632 ( 0.000 2.782 3.876) 4.771 8.764 ( 0.000 -0.780 -2.243) 2.374 9.143 ( 0.000 4.770 -0.118) 4.772 9.160 ( 0.000 4.766 -0.544) 4.797 9.420 ( 0.000 1.256 -0.392) 1.316 9.438 ( 0.000 1.579 -0.648) 1.707 10.125 ( 0.000 -2.011 1.527) 2.525 10.187 ( 0.000 -3.935 -1.462) 4.198 10.231 ( 0.000 -0.552 1.709) 1.796 10.296 ( 0.000 -2.772 -1.528) 3.165 ======================= Grid point 221 (80/105) ======================= q-point: ( 0.25 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.524 5.466 -0.822) 5.552 1.829 ( -0.490 3.819 -1.145) 4.017 2.009 ( 2.288 2.806 0.858) 3.721 2.058 ( 1.973 2.422 2.919) 4.275 2.116 ( -2.808 3.202 -2.455) 4.916 2.198 ( -3.503 1.029 2.629) 4.499 2.239 ( 2.229 0.386 -2.788) 3.591 2.290 ( 0.265 -0.063 -3.021) 3.034 2.450 ( 1.268 1.336 2.998) 3.519 2.534 ( -1.896 0.472 1.162) 2.273 2.629 ( 0.324 -1.447 -1.620) 2.196 2.640 ( -0.190 -1.397 -1.804) 2.290 2.882 ( 3.838 -0.883 1.235) 4.128 2.957 ( 1.117 -0.197 0.615) 1.291 3.003 ( -0.687 0.210 1.113) 1.325 3.073 ( -2.076 -1.757 -1.410) 3.063 3.226 ( 2.354 -1.156 -0.034) 2.623 3.329 ( 1.285 -3.262 -2.037) 4.055 3.395 ( -4.507 -2.804 -2.294) 5.783 3.486 ( -5.586 -5.887 -4.005) 9.050 4.027 ( 5.281 10.244 2.830) 11.867 4.064 ( 6.178 8.174 1.482) 10.352 4.262 ( -3.337 9.308 1.950) 10.078 4.305 ( -3.352 8.017 0.788) 8.725 6.712 ( 1.396 1.348 0.370) 1.975 6.756 ( 1.092 -0.099 -2.174) 2.435 6.792 ( -0.988 1.409 -0.383) 1.763 6.835 ( -1.187 0.050 -2.753) 2.998 7.136 ( 1.189 1.590 0.749) 2.122 7.218 ( -2.381 0.185 -2.244) 3.277 7.311 ( 1.472 -2.215 -0.164) 2.665 7.351 ( 0.023 -4.027 -2.006) 4.499 7.701 ( -0.198 4.271 -0.379) 4.293 7.729 ( -0.305 3.764 -1.172) 3.954 7.931 ( -0.950 -1.175 -2.551) 2.965 7.942 ( -1.605 -1.994 -2.962) 3.915 8.291 ( 2.548 8.638 0.286) 9.011 8.317 ( 2.373 8.377 -0.830) 8.746 8.640 ( 1.062 2.025 3.279) 3.997 8.740 ( -2.418 -0.471 -1.326) 2.798 9.150 ( 0.677 5.559 -0.174) 5.603 9.163 ( 0.239 5.611 -0.487) 5.637 9.396 ( -1.710 -0.087 -0.428) 1.765 9.417 ( -2.003 0.479 -1.029) 2.302 10.144 ( 1.778 -1.621 1.636) 2.910 10.203 ( 0.645 -2.656 -0.455) 2.771 10.227 ( 0.305 -1.570 0.664) 1.731 10.287 ( -0.986 -2.832 -1.530) 3.367 ======================= Grid point 222 (81/105) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -0.667 5.010 -0.973) 5.147 1.817 ( 0.667 5.010 -0.973) 5.147 2.059 ( -2.590 1.595 -1.872) 3.572 2.059 ( 2.590 1.595 -1.872) 3.572 2.122 ( -3.847 2.857 4.618) 6.655 2.122 ( 3.847 2.857 4.618) 6.655 2.277 ( -1.511 0.728 -3.323) 3.722 2.277 ( 1.511 0.728 -3.323) 3.722 2.490 ( -2.501 0.661 1.800) 3.151 2.490 ( 2.501 0.661 1.800) 3.151 2.636 ( -0.298 -1.414 -1.743) 2.264 2.636 ( 0.298 -1.414 -1.743) 2.264 2.953 ( -2.408 0.050 1.255) 2.716 2.953 ( 2.408 0.050 1.255) 2.716 3.018 ( -2.875 -1.617 0.002) 3.299 3.018 ( 2.875 -1.617 0.002) 3.299 3.294 ( -4.420 -1.759 -0.494) 4.782 3.294 ( 4.420 -1.759 -0.494) 4.782 3.387 ( -3.920 -4.354 -4.055) 7.125 3.387 ( 3.920 -4.354 -4.055) 7.125 4.131 ( -3.206 9.829 3.132) 10.802 4.131 ( 3.206 9.829 3.132) 10.802 4.225 ( -3.240 7.609 0.271) 8.275 4.225 ( 3.240 7.609 0.271) 8.275 6.746 ( -1.831 1.941 -0.201) 2.676 6.746 ( 1.831 1.941 -0.201) 2.676 6.804 ( -1.821 -0.475 -2.035) 2.772 6.804 ( 1.821 -0.475 -2.035) 2.772 7.170 ( -2.309 0.949 -1.074) 2.718 7.170 ( 2.309 0.949 -1.074) 2.718 7.339 ( -1.205 -3.750 -0.589) 3.983 7.339 ( 1.205 -3.750 -0.589) 3.983 7.712 ( -1.156 4.669 -1.507) 5.041 7.712 ( 1.156 4.669 -1.507) 5.041 7.922 ( -0.261 -1.568 -2.530) 2.988 7.922 ( 0.261 -1.568 -2.530) 2.988 8.333 ( -1.024 8.651 -0.081) 8.712 8.333 ( 1.024 8.651 -0.081) 8.712 8.682 ( -3.121 0.511 1.068) 3.338 8.682 ( 3.121 0.511 1.068) 3.338 9.163 ( -0.398 6.582 -0.307) 6.602 9.163 ( 0.398 6.582 -0.307) 6.602 9.383 ( -0.807 -1.199 -0.969) 1.740 9.383 ( 0.807 -1.199 -0.969) 1.740 10.183 ( -1.920 -1.083 1.609) 2.729 10.183 ( 1.920 -1.083 1.609) 2.729 10.258 ( -1.900 -2.992 -1.425) 3.819 10.258 ( 1.900 -2.992 -1.425) 3.819 ======================= Grid point 225 (82/105) ======================= q-point: ( 0.00 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.000 4.153 -2.055) 4.633 1.910 ( 0.000 3.679 -2.101) 4.236 2.020 ( 0.000 -0.792 0.372) 0.875 2.022 ( 0.000 -2.700 -0.673) 2.783 2.186 ( 0.000 0.138 0.121) 0.184 2.207 ( 0.000 -0.448 0.202) 0.491 2.267 ( 0.000 2.392 -0.589) 2.464 2.286 ( 0.000 0.517 -0.631) 0.815 2.483 ( 0.000 3.077 3.715) 4.824 2.564 ( 0.000 -4.286 1.160) 4.440 2.572 ( 0.000 1.316 -0.059) 1.318 2.603 ( 0.000 -1.806 -0.634) 1.914 2.864 ( 0.000 2.095 -0.662) 2.197 2.909 ( 0.000 -2.236 -1.024) 2.459 3.035 ( 0.000 1.475 0.827) 1.691 3.065 ( 0.000 -1.410 -0.066) 1.411 3.210 ( 0.000 1.659 -1.567) 2.282 3.259 ( 0.000 -2.826 -2.766) 3.954 3.396 ( 0.000 -0.612 -2.614) 2.685 3.436 ( 0.000 -4.312 -3.557) 5.590 4.120 ( 0.000 4.038 1.827) 4.433 4.125 ( 0.000 3.722 2.103) 4.275 4.435 ( 0.000 4.033 1.883) 4.451 4.451 ( 0.000 2.537 1.486) 2.940 6.714 ( 0.000 0.612 -0.092) 0.619 6.726 ( 0.000 -0.676 -0.845) 1.082 6.838 ( 0.000 1.102 -2.096) 2.368 6.849 ( 0.000 -0.098 -2.726) 2.728 7.177 ( 0.000 3.087 -0.173) 3.092 7.231 ( 0.000 -1.457 -2.043) 2.509 7.274 ( 0.000 -0.776 -0.320) 0.839 7.281 ( 0.000 -2.242 -1.148) 2.519 7.770 ( 0.000 2.215 -0.732) 2.333 7.779 ( 0.000 1.466 -1.183) 1.883 7.919 ( 0.000 -0.969 -3.544) 3.674 7.922 ( 0.000 -1.418 -3.654) 3.920 8.401 ( 0.000 4.788 0.161) 4.791 8.417 ( 0.000 3.795 -0.433) 3.819 8.651 ( 0.000 0.611 1.480) 1.601 8.704 ( 0.000 -4.075 -0.862) 4.165 9.205 ( 0.000 1.764 0.233) 1.779 9.215 ( 0.000 0.910 -0.058) 0.912 9.449 ( 0.000 1.289 0.377) 1.343 9.461 ( 0.000 0.288 0.085) 0.300 10.105 ( 0.000 0.011 0.477) 0.477 10.126 ( 0.000 -2.044 -0.519) 2.109 10.230 ( 0.000 0.487 0.610) 0.781 10.252 ( 0.000 -1.655 -0.453) 1.716 ======================= Grid point 226 (83/105) ======================= q-point: ( 0.25 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.977 4.703 -1.551) 5.048 1.916 ( 0.530 4.473 -1.647) 4.796 2.019 ( 0.015 -2.545 0.057) 2.545 2.024 ( 0.077 -2.948 -0.273) 2.962 2.186 ( 0.430 2.414 0.662) 2.540 2.229 ( 1.476 -1.176 -0.424) 1.934 2.247 ( -1.319 3.118 -0.520) 3.425 2.288 ( -0.271 -0.647 -1.514) 1.669 2.492 ( 0.943 3.005 3.081) 4.406 2.555 ( -1.537 1.495 0.397) 2.181 2.569 ( 0.432 -3.955 0.732) 4.045 2.596 ( -0.652 -2.372 -0.470) 2.504 2.895 ( 3.006 1.651 -0.342) 3.447 2.933 ( 2.279 -1.847 -0.599) 2.994 3.018 ( -1.741 1.208 0.734) 2.243 3.044 ( -2.149 -1.292 0.005) 2.508 3.226 ( 1.706 1.265 -1.726) 2.737 3.270 ( 1.167 -2.730 -2.756) 4.050 3.353 ( -3.781 -0.514 -2.577) 4.605 3.387 ( -4.205 -3.643 -3.345) 6.491 4.178 ( 5.348 4.276 1.947) 7.119 4.188 ( 5.686 3.264 1.752) 6.786 4.398 ( -3.709 3.947 1.847) 5.722 4.414 ( -3.719 2.443 1.441) 4.677 6.733 ( 1.867 0.790 -0.242) 2.042 6.747 ( 1.969 -0.601 -1.048) 2.310 6.822 ( -1.665 1.123 -1.612) 2.575 6.835 ( -1.520 -0.231 -2.380) 2.833 7.182 ( 0.663 2.959 -0.501) 3.074 7.227 ( -0.604 0.199 -2.067) 2.163 7.263 ( -0.623 -2.353 -0.270) 2.449 7.276 ( -0.515 -2.668 -1.201) 2.971 7.778 ( 0.999 3.089 -1.276) 3.488 7.793 ( 1.067 2.008 -1.658) 2.814 7.897 ( -1.975 -1.704 -3.157) 4.095 7.900 ( -1.727 -1.687 -3.308) 4.095 8.439 ( 3.466 5.621 0.335) 6.612 8.459 ( 3.571 4.617 -0.528) 5.861 8.635 ( -1.442 -0.868 1.395) 2.186 8.680 ( -2.366 -4.360 -0.621) 4.999 9.226 ( 2.167 2.315 0.287) 3.184 9.237 ( 2.246 1.520 -0.091) 2.713 9.401 ( -4.123 0.678 0.428) 4.200 9.418 ( -4.003 -0.591 -0.152) 4.049 10.132 ( 2.379 0.319 0.547) 2.462 10.154 ( 2.470 -1.859 -0.533) 3.137 10.218 ( -1.187 0.402 0.614) 1.396 10.241 ( -1.156 -1.743 -0.467) 2.143 ======================= Grid point 227 (84/105) ======================= q-point: (-0.50 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -0.061 5.423 -1.129) 5.540 1.923 ( 0.061 5.423 -1.129) 5.540 2.022 ( -0.231 -4.013 -0.024) 4.019 2.022 ( 0.231 -4.013 -0.024) 4.019 2.208 ( -1.680 4.234 0.591) 4.593 2.208 ( 1.680 4.234 0.591) 4.593 2.269 ( -1.608 -1.701 -1.937) 3.038 2.269 ( 1.608 -1.701 -1.937) 3.038 2.520 ( -1.848 2.400 1.553) 3.404 2.520 ( 1.848 2.400 1.553) 3.404 2.581 ( -0.789 -3.394 0.068) 3.485 2.581 ( 0.789 -3.394 0.068) 3.485 2.964 ( -3.409 1.066 0.292) 3.584 2.964 ( 3.409 1.066 0.292) 3.584 2.990 ( -2.971 -1.316 -0.033) 3.250 2.990 ( 2.971 -1.316 -0.033) 3.250 3.276 ( -3.345 0.349 -1.882) 3.854 3.276 ( 3.345 0.349 -1.882) 3.854 3.311 ( -2.913 -2.980 -3.321) 5.329 3.311 ( 2.913 -2.980 -3.321) 5.329 4.287 ( -2.496 5.146 2.179) 6.121 4.287 ( 2.496 5.146 2.179) 6.121 4.323 ( -2.616 1.678 1.201) 3.332 4.323 ( 2.616 1.678 1.201) 3.332 6.777 ( -2.227 1.180 -0.862) 2.664 6.777 ( 2.227 1.180 -0.862) 2.664 6.794 ( -2.219 -0.574 -1.532) 2.757 6.794 ( 2.219 -0.574 -1.532) 2.757 7.204 ( -1.462 2.381 -1.232) 3.053 7.204 ( 1.462 2.381 -1.232) 3.053 7.264 ( -0.545 -3.540 -0.978) 3.712 7.264 ( 0.545 -3.540 -0.978) 3.712 7.801 ( -0.746 4.116 -2.213) 4.733 7.801 ( 0.746 4.116 -2.213) 4.733 7.874 ( -0.330 -3.075 -2.630) 4.059 7.874 ( 0.330 -3.075 -2.630) 4.059 8.498 ( -1.177 7.566 0.045) 7.657 8.498 ( 1.177 7.566 0.045) 7.657 8.628 ( -1.882 -5.102 0.371) 5.450 8.628 ( 1.882 -5.102 0.371) 5.450 9.273 ( -0.983 4.535 0.271) 4.648 9.273 ( 0.983 4.535 0.271) 4.648 9.346 ( -1.202 -2.712 -0.114) 2.968 9.346 ( 1.202 -2.712 -0.114) 2.968 10.179 ( -2.006 0.706 0.489) 2.182 10.179 ( 2.006 0.706 0.489) 2.182 10.208 ( -1.970 -2.016 -0.390) 2.846 10.208 ( 1.970 -2.016 -0.390) 2.846 ======================= Grid point 260 (85/105) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.000 0.000 -4.719) 4.719 1.254 ( 0.000 0.000 4.719) 4.719 1.506 ( 0.000 0.000 -9.725) 9.725 1.506 ( 0.000 0.000 9.725) 9.725 1.967 ( 0.000 0.000 -1.343) 1.343 1.967 ( 0.000 0.000 1.343) 1.343 1.970 ( 0.000 0.000 -10.638) 10.638 1.970 ( 0.000 0.000 10.638) 10.638 2.222 ( 0.000 0.000 -17.100) 17.100 2.222 ( 0.000 0.000 17.100) 17.100 2.283 ( 0.000 0.000 -0.061) 0.061 2.283 ( 0.000 0.000 0.061) 0.061 2.821 ( 0.000 0.000 -1.108) 1.108 2.821 ( 0.000 0.000 1.108) 1.108 3.055 ( 0.000 0.000 -0.217) 0.217 3.055 ( 0.000 0.000 0.217) 0.217 3.358 ( 0.000 0.000 -3.459) 3.459 3.358 ( 0.000 0.000 3.459) 3.459 3.403 ( 0.000 0.000 -20.548) 20.548 3.403 ( 0.000 0.000 20.548) 20.548 3.642 ( 0.000 0.000 -4.066) 4.066 3.642 ( 0.000 0.000 4.066) 4.066 4.007 ( 0.000 0.000 -6.793) 6.793 4.007 ( 0.000 0.000 6.793) 6.793 6.594 ( 0.000 0.000 -3.944) 3.944 6.594 ( 0.000 0.000 3.944) 3.944 6.828 ( 0.000 0.000 -5.320) 5.320 6.828 ( 0.000 0.000 5.320) 5.320 7.013 ( 0.000 0.000 -0.442) 0.442 7.013 ( 0.000 0.000 0.442) 0.442 7.029 ( 0.000 0.000 -3.331) 3.331 7.029 ( 0.000 0.000 3.331) 3.331 7.249 ( 0.000 0.000 -0.234) 0.234 7.249 ( 0.000 0.000 0.234) 0.234 7.419 ( 0.000 0.000 -0.868) 0.868 7.419 ( 0.000 0.000 0.868) 0.868 7.740 ( 0.000 0.000 -0.001) 0.001 7.740 ( 0.000 0.000 0.001) 0.001 8.006 ( 0.000 0.000 -0.171) 0.171 8.006 ( 0.000 0.000 0.171) 0.171 8.365 ( 0.000 0.000 -7.367) 7.367 8.365 ( 0.000 0.000 7.367) 7.367 9.629 ( 0.000 0.000 -1.710) 1.710 9.629 ( 0.000 0.000 1.710) 1.710 10.495 ( 0.000 0.000 -2.334) 2.334 10.495 ( 0.000 0.000 2.334) 2.334 10.594 ( 0.000 0.000 -4.509) 4.509 10.594 ( 0.000 0.000 4.509) 4.509 ======================= Grid point 262 (86/105) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.046 0.000 -3.338) 3.338 1.255 ( 0.046 0.000 3.338) 3.338 1.541 ( 3.668 0.000 -9.071) 9.785 1.541 ( 3.668 0.000 9.071) 9.785 1.853 ( -9.051 0.000 -7.261) 11.604 1.853 ( -9.051 0.000 7.261) 11.604 1.967 ( -0.009 0.000 -0.951) 0.951 1.967 ( -0.009 0.000 0.951) 0.951 2.283 ( 0.006 0.000 -0.043) 0.044 2.283 ( 0.006 0.000 0.043) 0.044 2.288 ( 4.046 0.000 -9.296) 10.139 2.288 ( 4.046 0.000 9.296) 10.139 2.826 ( 0.472 0.000 -0.780) 0.912 2.826 ( 0.472 0.000 0.780) 0.912 3.055 ( -0.010 0.000 -0.154) 0.154 3.055 ( -0.010 0.000 0.154) 0.154 3.367 ( 0.749 0.000 -4.938) 4.994 3.367 ( 0.749 0.000 4.938) 4.994 3.400 ( -0.391 0.000 -12.754) 12.760 3.400 ( -0.391 0.000 12.754) 12.760 3.673 ( 2.841 0.000 -1.952) 3.447 3.673 ( 2.841 0.000 1.952) 3.447 3.980 ( -2.514 0.000 -6.017) 6.521 3.980 ( -2.514 0.000 6.017) 6.521 6.592 ( -0.136 0.000 -2.788) 2.791 6.592 ( -0.136 0.000 2.788) 2.791 6.831 ( 0.263 0.000 -3.889) 3.898 6.831 ( 0.263 0.000 3.889) 3.898 7.009 ( -0.330 0.000 -0.830) 0.893 7.009 ( -0.330 0.000 0.830) 0.893 7.025 ( -0.335 0.000 -2.378) 2.402 7.025 ( -0.335 0.000 2.378) 2.402 7.250 ( 0.046 0.000 -0.219) 0.224 7.250 ( 0.046 0.000 0.219) 0.224 7.448 ( 2.580 0.000 -1.587) 3.029 7.448 ( 2.580 0.000 1.587) 3.029 7.713 ( -2.430 0.000 -0.559) 2.494 7.713 ( -2.430 0.000 0.559) 2.494 8.006 ( 0.020 0.000 -0.121) 0.123 8.006 ( 0.020 0.000 0.121) 0.123 8.371 ( 0.450 0.000 -5.105) 5.125 8.371 ( 0.450 0.000 5.105) 5.125 9.634 ( 0.360 0.000 -1.202) 1.255 9.634 ( 0.360 0.000 1.202) 1.255 10.490 ( -0.442 0.000 -1.632) 1.691 10.490 ( -0.442 0.000 1.632) 1.691 10.594 ( 0.020 0.000 -3.140) 3.140 10.594 ( 0.020 0.000 3.140) 3.140 ======================= Grid point 264 (87/105) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.000 0.000 0.000) 0.000 1.255 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 -0.000) 0.000 1.617 ( 0.000 0.000 -0.000) 0.000 1.718 ( -0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 -0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.380 ( -0.000 0.000 -0.000) 0.000 3.380 ( -0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 -0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.944 ( -0.000 0.000 -0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.835 ( 0.000 0.000 -0.000) 0.000 6.835 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.484 ( 0.000 0.000 0.000) 0.000 7.484 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 9.638 ( 0.000 0.000 0.000) 0.000 9.638 ( 0.000 0.000 0.000) 0.000 10.484 ( 0.000 0.000 -0.000) 0.000 10.484 ( 0.000 0.000 0.000) 0.000 10.595 ( 0.000 0.000 0.000) 0.000 10.595 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 270 (88/105) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 16.395 -3.751) 16.818 1.454 ( 0.000 16.395 3.751) 16.818 1.528 ( 0.000 2.261 -7.945) 8.261 1.528 ( 0.000 2.261 7.945) 8.261 1.891 ( 0.000 -0.381 -5.693) 5.706 1.891 ( 0.000 -0.381 5.693) 5.706 2.090 ( 0.000 2.187 -4.006) 4.564 2.090 ( 0.000 2.187 4.006) 4.564 2.247 ( 0.000 5.697 -7.692) 9.572 2.247 ( 0.000 5.697 7.692) 9.572 2.331 ( 0.000 3.817 -5.382) 6.598 2.331 ( 0.000 3.817 5.382) 6.598 2.820 ( 0.000 0.126 -1.187) 1.194 2.820 ( 0.000 0.126 1.187) 1.194 3.072 ( 0.000 1.415 -0.693) 1.576 3.072 ( 0.000 1.415 0.693) 1.576 3.357 ( 0.000 -0.099 -1.661) 1.664 3.357 ( 0.000 -0.099 1.661) 1.664 3.406 ( 0.000 0.516 -20.112) 20.118 3.406 ( 0.000 0.516 20.112) 20.118 3.656 ( 0.000 1.531 -4.652) 4.898 3.656 ( 0.000 1.531 4.652) 4.898 3.977 ( 0.000 -2.944 -7.121) 7.705 3.977 ( 0.000 -2.944 7.121) 7.705 6.599 ( 0.000 0.602 -3.705) 3.753 6.599 ( 0.000 0.602 3.705) 3.753 6.904 ( 0.000 0.016 -2.142) 2.142 6.904 ( 0.000 0.016 2.142) 2.142 6.982 ( 0.000 7.843 -1.554) 7.996 6.982 ( 0.000 7.843 1.554) 7.996 7.227 ( 0.000 11.549 -2.083) 11.735 7.227 ( 0.000 11.549 2.083) 11.735 7.278 ( 0.000 3.564 -1.091) 3.727 7.278 ( 0.000 3.564 1.091) 3.727 7.443 ( 0.000 3.590 -0.047) 3.591 7.443 ( 0.000 3.590 0.047) 3.591 7.766 ( 0.000 3.176 -0.878) 3.295 7.766 ( 0.000 3.176 0.878) 3.295 8.020 ( 0.000 1.152 -0.221) 1.173 8.020 ( 0.000 1.152 0.221) 1.173 8.396 ( 0.000 3.481 -6.796) 7.636 8.396 ( 0.000 3.481 6.796) 7.636 9.596 ( 0.000 -3.164 -1.465) 3.486 9.596 ( 0.000 -3.164 1.465) 3.486 10.466 ( 0.000 -2.740 -2.550) 3.743 10.466 ( 0.000 -2.740 2.550) 3.743 10.564 ( 0.000 -2.911 -4.396) 5.272 10.564 ( 0.000 -2.911 4.396) 5.272 ======================= Grid point 272 (89/105) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -0.224 15.382 -1.863) 15.496 1.449 ( -0.224 15.382 1.863) 15.496 1.565 ( 3.643 2.764 -6.404) 7.869 1.565 ( 3.643 2.764 6.404) 7.869 1.806 ( -7.155 -0.107 -5.360) 8.941 1.806 ( -7.155 -0.107 5.360) 8.941 2.098 ( 0.354 6.626 -2.528) 7.101 2.098 ( 0.354 6.626 2.528) 7.101 2.276 ( 2.120 2.645 -4.712) 5.804 2.276 ( 2.120 2.645 4.712) 5.804 2.330 ( -0.078 2.652 -5.240) 5.874 2.330 ( -0.078 2.652 5.240) 5.874 2.827 ( 0.608 0.251 -0.874) 1.094 2.827 ( 0.608 0.251 0.874) 1.094 3.070 ( -0.211 1.202 -0.596) 1.358 3.070 ( -0.211 1.202 0.596) 1.358 3.367 ( 0.880 0.084 -3.053) 3.179 3.367 ( 0.880 0.084 3.053) 3.179 3.406 ( -0.156 0.744 -13.565) 13.587 3.406 ( -0.156 0.744 13.565) 13.587 3.681 ( 2.358 0.963 -2.460) 3.541 3.681 ( 2.358 0.963 2.460) 3.541 3.951 ( -2.347 -2.748 -6.210) 7.185 3.951 ( -2.347 -2.748 6.210) 7.185 6.597 ( -0.124 0.633 -2.601) 2.679 6.597 ( -0.124 0.633 2.601) 2.679 6.913 ( 0.801 -1.090 -1.905) 2.336 6.913 ( 0.801 -1.090 1.905) 2.336 6.980 ( -0.213 9.698 -1.708) 9.849 6.980 ( -0.213 9.698 1.708) 9.849 7.195 ( -2.109 7.619 -1.651) 8.076 7.195 ( -2.109 7.619 1.651) 8.076 7.290 ( 0.583 6.041 -1.285) 6.204 7.290 ( 0.583 6.041 1.285) 6.204 7.488 ( 3.914 4.955 -1.795) 6.564 7.488 ( 3.914 4.955 1.795) 6.564 7.729 ( -3.359 2.291 -0.230) 4.072 7.729 ( -3.359 2.291 0.230) 4.072 8.023 ( 0.203 1.386 -0.108) 1.405 8.023 ( 0.203 1.386 0.108) 1.405 8.401 ( 0.385 3.390 -4.719) 5.824 8.401 ( 0.385 3.390 4.719) 5.824 9.600 ( 0.326 -3.202 -1.031) 3.380 9.600 ( 0.326 -3.202 1.031) 3.380 10.461 ( -0.389 -2.669 -1.749) 3.215 10.461 ( -0.389 -2.669 1.749) 3.215 10.564 ( 0.050 -2.887 -3.043) 4.195 10.564 ( 0.050 -2.887 3.043) 4.195 ======================= Grid point 274 (90/105) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -0.000 15.075 -0.000) 15.075 1.448 ( 0.000 15.075 -0.000) 15.075 1.664 ( -0.000 -2.752 -0.000) 2.752 1.664 ( 0.000 -2.752 -0.000) 2.752 1.667 ( -0.000 6.001 0.000) 6.001 1.667 ( 0.000 6.001 0.000) 6.001 2.101 ( -0.000 8.789 -0.000) 8.789 2.101 ( 0.000 8.789 -0.000) 8.789 2.301 ( -0.000 2.847 -0.000) 2.847 2.301 ( 0.000 2.847 -0.000) 2.847 2.329 ( -0.000 0.009 0.000) 0.009 2.329 ( 0.000 0.009 0.000) 0.009 2.835 ( 0.000 0.360 -0.000) 0.360 2.835 ( 0.000 0.360 -0.000) 0.360 3.067 ( -0.000 0.985 -0.000) 0.985 3.067 ( 0.000 0.985 0.000) 0.985 3.381 ( -0.000 0.102 -0.000) 0.102 3.381 ( 0.000 0.102 -0.000) 0.102 3.401 ( -0.000 1.132 -0.000) 1.132 3.401 ( 0.000 1.132 0.000) 1.132 3.715 ( -0.000 0.351 0.000) 0.351 3.715 ( 0.000 0.351 0.000) 0.351 3.917 ( -0.000 -2.502 -0.000) 2.502 3.917 ( 0.000 -2.502 0.000) 2.502 6.596 ( 0.000 0.664 0.000) 0.664 6.596 ( 0.000 0.664 0.000) 0.664 6.924 ( -0.000 -3.289 -0.000) 3.289 6.924 ( 0.000 -3.289 -0.000) 3.289 6.976 ( -0.000 12.789 0.000) 12.789 6.976 ( 0.000 12.789 0.000) 12.789 7.171 ( -0.000 5.712 0.000) 5.712 7.171 ( 0.000 5.712 0.000) 5.712 7.295 ( 0.000 6.538 -0.000) 6.538 7.295 ( 0.000 6.538 -0.000) 6.538 7.546 ( -0.000 7.626 0.000) 7.626 7.546 ( 0.000 7.626 0.000) 7.626 7.677 ( -0.000 -0.047 0.000) 0.047 7.677 ( 0.000 -0.047 0.000) 0.047 8.025 ( -0.000 1.576 0.000) 1.576 8.025 ( 0.000 1.576 0.000) 1.576 8.406 ( -0.000 3.304 0.000) 3.304 8.406 ( 0.000 3.304 0.000) 3.304 9.604 ( 0.000 -3.242 0.000) 3.242 9.604 ( 0.000 -3.242 0.000) 3.242 10.456 ( 0.000 -2.595 -0.000) 2.595 10.456 ( 0.000 -2.595 0.000) 2.595 10.565 ( 0.000 -2.864 0.000) 2.864 10.565 ( 0.000 -2.864 0.000) 2.864 ======================= Grid point 280 (91/105) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.000 4.012 -2.790) 4.887 1.593 ( 0.000 4.012 2.790) 4.887 1.733 ( 0.000 8.565 -1.191) 8.647 1.733 ( 0.000 8.565 1.191) 8.647 1.993 ( 0.000 10.282 -0.974) 10.328 1.993 ( 0.000 10.282 0.974) 10.328 2.077 ( 0.000 -1.518 -3.081) 3.435 2.077 ( 0.000 -1.518 3.081) 3.435 2.376 ( 0.000 5.027 -2.040) 5.425 2.376 ( 0.000 5.027 2.040) 5.425 2.444 ( 0.000 6.529 -3.486) 7.401 2.444 ( 0.000 6.529 3.486) 7.401 2.844 ( 0.000 2.775 -0.655) 2.852 2.844 ( 0.000 2.775 0.655) 2.852 3.098 ( 0.000 0.738 -1.996) 2.128 3.098 ( 0.000 0.738 1.996) 2.128 3.354 ( 0.000 -0.336 -1.084) 1.135 3.354 ( 0.000 -0.336 1.084) 1.135 3.436 ( 0.000 2.972 -14.514) 14.815 3.436 ( 0.000 2.972 14.514) 14.815 3.711 ( 0.000 3.924 -5.990) 7.161 3.711 ( 0.000 3.924 5.990) 7.161 3.900 ( 0.000 -4.098 -7.872) 8.875 3.900 ( 0.000 -4.098 7.872) 8.875 6.620 ( 0.000 1.467 -3.009) 3.348 6.620 ( 0.000 1.467 3.009) 3.348 6.861 ( 0.000 -2.459 -1.183) 2.729 6.861 ( 0.000 -2.459 1.183) 2.729 7.161 ( 0.000 5.194 -6.404) 8.245 7.161 ( 0.000 5.194 6.404) 8.245 7.320 ( 0.000 1.960 -0.978) 2.190 7.320 ( 0.000 1.960 0.978) 2.190 7.447 ( 0.000 9.754 -0.183) 9.756 7.447 ( 0.000 9.754 0.183) 9.756 7.611 ( 0.000 9.969 -0.625) 9.989 7.611 ( 0.000 9.969 0.625) 9.989 7.927 ( 0.000 12.735 -4.419) 13.480 7.927 ( 0.000 12.735 4.419) 13.480 8.047 ( 0.000 3.051 -0.480) 3.088 8.047 ( 0.000 3.051 0.480) 3.088 8.523 ( 0.000 9.381 -5.065) 10.661 8.523 ( 0.000 9.381 5.065) 10.661 9.515 ( 0.000 -4.475 -0.849) 4.554 9.515 ( 0.000 -4.475 0.849) 4.554 10.396 ( 0.000 -3.901 -2.745) 4.770 10.396 ( 0.000 -3.901 2.745) 4.770 10.485 ( 0.000 -4.740 -4.134) 6.290 10.485 ( 0.000 -4.740 4.134) 6.290 ======================= Grid point 282 (92/105) ======================= q-point: ( 0.25 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 1.632 3.674 -4.454) 6.001 1.608 ( 1.632 3.674 4.454) 6.001 1.713 ( -2.097 6.654 -3.783) 7.937 1.713 ( -2.097 6.654 3.783) 7.937 1.940 ( -2.896 12.189 -4.395) 13.277 1.940 ( -2.896 12.189 4.395) 13.277 2.136 ( 3.626 -0.489 -3.742) 5.234 2.136 ( 3.626 -0.489 3.742) 5.234 2.360 ( -1.333 3.292 -1.644) 3.914 2.360 ( -1.333 3.292 1.644) 3.914 2.445 ( 0.062 8.049 -2.284) 8.367 2.445 ( 0.062 8.049 2.284) 8.367 2.851 ( 0.566 2.538 -0.635) 2.677 2.851 ( 0.566 2.538 0.635) 2.677 3.092 ( -0.500 0.695 -1.570) 1.788 3.092 ( -0.500 0.695 1.570) 1.788 3.369 ( 1.262 -0.061 -0.623) 1.409 3.369 ( 1.262 -0.061 0.623) 1.409 3.438 ( 0.078 2.721 -10.712) 11.052 3.438 ( 0.078 2.721 10.712) 11.052 3.722 ( 1.071 3.262 -3.761) 5.093 3.722 ( 1.071 3.262 3.761) 5.093 3.880 ( -1.740 -3.649 -6.559) 7.705 3.880 ( -1.740 -3.649 6.559) 7.705 6.619 ( -0.036 1.538 -2.119) 2.618 6.619 ( -0.036 1.538 2.119) 2.618 6.863 ( 0.180 -2.548 -0.846) 2.691 6.863 ( 0.180 -2.548 0.846) 2.691 7.176 ( 1.458 3.892 -5.588) 6.964 7.176 ( 1.458 3.892 5.588) 6.964 7.295 ( -2.183 6.339 -3.033) 7.359 7.295 ( -2.183 6.339 3.033) 7.359 7.442 ( -0.350 7.139 -2.247) 7.493 7.442 ( -0.350 7.139 2.247) 7.493 7.649 ( 3.215 7.468 -1.253) 8.227 7.649 ( 3.215 7.468 1.253) 8.227 7.897 ( -2.693 16.133 -3.090) 16.645 7.897 ( -2.693 16.133 3.090) 16.645 8.050 ( 0.253 1.867 -0.597) 1.976 8.050 ( 0.253 1.867 0.597) 1.976 8.525 ( 0.138 9.160 -3.535) 9.820 8.525 ( 0.138 9.160 3.535) 9.820 9.518 ( 0.242 -4.536 -0.601) 4.582 9.518 ( 0.242 -4.536 0.601) 4.582 10.394 ( -0.172 -3.695 -1.914) 4.164 10.394 ( -0.172 -3.695 1.914) 4.164 10.485 ( 0.038 -4.801 -2.893) 5.605 10.485 ( 0.038 -4.801 2.893) 5.605 ======================= Grid point 284 (93/105) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.000 0.948 -0.000) 0.948 1.646 ( -0.000 0.948 -0.000) 0.948 1.667 ( 0.000 7.322 0.000) 7.322 1.667 ( -0.000 7.322 0.000) 7.322 1.911 ( -0.000 14.941 -0.000) 14.941 1.911 ( 0.000 14.941 -0.000) 14.941 2.177 ( 0.000 -0.366 -0.000) 0.366 2.177 ( 0.000 -0.366 -0.000) 0.366 2.342 ( 0.000 1.804 -0.000) 1.804 2.342 ( -0.000 1.804 -0.000) 1.804 2.446 ( -0.000 9.186 0.000) 9.186 2.446 ( 0.000 9.186 0.000) 9.186 2.858 ( 0.000 2.301 -0.000) 2.301 2.858 ( 0.000 2.301 -0.000) 2.301 3.085 ( 0.000 0.645 0.000) 0.645 3.085 ( 0.000 0.645 0.000) 0.645 3.385 ( 0.000 0.303 -0.000) 0.303 3.385 ( 0.000 0.303 -0.000) 0.303 3.438 ( -0.000 2.473 -0.000) 2.473 3.438 ( 0.000 2.473 -0.000) 2.473 3.738 ( -0.000 2.383 0.000) 2.383 3.738 ( 0.000 2.383 0.000) 2.383 3.856 ( -0.000 -3.058 -0.000) 3.058 3.856 ( 0.000 -3.058 0.000) 3.058 6.619 ( 0.000 1.608 0.000) 1.608 6.619 ( 0.000 1.608 0.000) 1.608 6.865 ( -0.000 -2.637 0.000) 2.637 6.865 ( 0.000 -2.637 0.000) 2.637 7.200 ( -0.000 -0.571 -0.000) 0.571 7.200 ( 0.000 -0.571 -0.000) 0.571 7.263 ( -0.000 13.089 0.000) 13.089 7.263 ( 0.000 13.089 0.000) 13.089 7.438 ( -0.000 5.287 -0.000) 5.287 7.438 ( 0.000 5.287 -0.000) 5.287 7.693 ( -0.000 2.500 0.000) 2.500 7.693 ( 0.000 2.500 0.000) 2.500 7.858 ( 0.000 21.710 -0.000) 21.710 7.858 ( 0.000 21.710 -0.000) 21.710 8.053 ( -0.000 0.993 0.000) 0.993 8.053 ( 0.000 0.993 0.000) 0.993 8.527 ( -0.000 8.946 0.000) 8.946 8.527 ( 0.000 8.946 0.000) 8.946 9.521 ( 0.000 -4.599 0.000) 4.599 9.521 ( 0.000 -4.599 0.000) 4.599 10.392 ( 0.000 -3.491 -0.000) 3.491 10.392 ( 0.000 -3.491 0.000) 3.491 10.486 ( 0.000 -4.858 0.000) 4.858 10.486 ( 0.000 -4.858 0.000) 4.858 ======================= Grid point 290 (94/105) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.000 3.978 -2.572) 4.737 1.676 ( 0.000 3.978 2.572) 4.737 1.861 ( 0.000 5.868 -3.182) 6.675 1.861 ( 0.000 5.868 3.182) 6.675 2.057 ( 0.000 -0.128 -3.478) 3.480 2.057 ( 0.000 -0.128 3.478) 3.480 2.169 ( 0.000 5.404 -2.421) 5.922 2.169 ( 0.000 5.404 2.421) 5.922 2.483 ( 0.000 5.561 -2.307) 6.021 2.483 ( 0.000 5.561 2.307) 6.021 2.524 ( 0.000 1.560 -3.910) 4.210 2.524 ( 0.000 1.560 3.910) 4.210 2.919 ( 0.000 3.541 -0.383) 3.562 2.919 ( 0.000 3.541 0.383) 3.562 3.089 ( 0.000 -1.655 -3.874) 4.213 3.089 ( 0.000 -1.655 3.874) 4.213 3.338 ( 0.000 -1.348 -3.175) 3.449 3.338 ( 0.000 -1.348 3.175) 3.449 3.549 ( 0.000 8.501 -4.449) 9.595 3.549 ( 0.000 8.501 4.449) 9.595 3.729 ( 0.000 -4.333 -0.351) 4.347 3.729 ( 0.000 -4.333 0.351) 4.347 3.915 ( 0.000 7.892 -0.735) 7.926 3.915 ( 0.000 7.892 0.735) 7.926 6.656 ( 0.000 2.000 -2.302) 3.049 6.656 ( 0.000 2.000 2.302) 3.049 6.818 ( 0.000 -1.670 -1.456) 2.216 6.818 ( 0.000 -1.670 1.456) 2.216 7.199 ( 0.000 -0.067 -5.014) 5.014 7.199 ( 0.000 -0.067 5.014) 5.014 7.338 ( 0.000 0.169 -2.558) 2.564 7.338 ( 0.000 0.169 2.558) 2.564 7.598 ( 0.000 4.488 -0.836) 4.566 7.598 ( 0.000 4.488 0.836) 4.566 7.830 ( 0.000 12.244 -0.574) 12.258 7.830 ( 0.000 12.244 0.574) 12.258 7.998 ( 0.000 -1.122 -2.748) 2.968 7.998 ( 0.000 -1.122 2.748) 2.968 8.333 ( 0.000 17.743 -4.080) 18.207 8.333 ( 0.000 17.743 4.080) 18.207 8.757 ( 0.000 12.934 -2.670) 13.206 8.757 ( 0.000 12.934 2.670) 13.206 9.433 ( 0.000 -3.256 -0.185) 3.261 9.433 ( 0.000 -3.256 0.185) 3.261 10.317 ( 0.000 -3.945 -2.484) 4.662 10.317 ( 0.000 -3.945 2.484) 4.662 10.385 ( 0.000 -4.805 -3.728) 6.081 10.385 ( 0.000 -4.805 3.728) 6.081 ======================= Grid point 292 (95/105) ======================= q-point: ( 0.25 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.489 3.516 -2.701) 4.461 1.682 ( 0.489 3.516 2.701) 4.461 1.835 ( -2.036 6.274 -3.493) 7.464 1.835 ( -2.036 6.274 3.493) 7.464 2.088 ( 2.563 1.354 -4.362) 5.238 2.088 ( 2.563 1.354 4.362) 5.238 2.165 ( -0.462 3.892 -6.060) 7.217 2.165 ( -0.462 3.892 6.060) 7.217 2.441 ( -2.527 4.484 -3.027) 5.971 2.441 ( -2.527 4.484 3.027) 5.971 2.557 ( 1.779 3.071 -2.496) 4.339 2.557 ( 1.779 3.071 2.496) 4.339 2.920 ( 0.135 3.425 -0.353) 3.446 2.920 ( 0.135 3.425 0.353) 3.446 3.088 ( -0.114 -1.132 -2.724) 2.952 3.088 ( -0.114 -1.132 2.724) 2.952 3.356 ( 1.779 -1.339 -3.292) 3.974 3.356 ( 1.779 -1.339 3.292) 3.974 3.514 ( -2.862 3.782 -4.667) 6.654 3.514 ( -2.862 3.782 4.667) 6.654 3.766 ( 3.268 0.368 -3.643) 4.908 3.766 ( 3.268 0.368 3.643) 4.908 3.892 ( -2.210 7.224 -1.959) 7.805 3.892 ( -2.210 7.224 1.959) 7.805 6.657 ( 0.105 2.116 -1.643) 2.681 6.657 ( 0.105 2.116 1.643) 2.681 6.819 ( 0.080 -1.738 -1.036) 2.025 6.819 ( 0.080 -1.738 1.036) 2.025 7.188 ( -0.772 -0.771 -3.056) 3.245 7.188 ( -0.772 -0.771 3.056) 3.245 7.373 ( 3.010 1.207 -1.707) 3.665 7.373 ( 3.010 1.207 1.707) 3.665 7.570 ( -2.688 4.469 -1.022) 5.314 7.570 ( -2.688 4.469 1.022) 5.314 7.813 ( -1.066 9.119 -1.324) 9.276 7.813 ( -1.066 9.119 1.324) 9.276 8.036 ( 2.997 1.128 -2.376) 3.988 8.036 ( 2.997 1.128 2.376) 3.988 8.317 ( -1.435 18.569 -3.180) 18.894 8.317 ( -1.435 18.569 3.180) 18.894 8.753 ( -0.334 12.595 -1.929) 12.746 8.753 ( -0.334 12.595 1.929) 12.746 9.434 ( 0.097 -3.397 -0.137) 3.401 9.434 ( 0.097 -3.397 0.137) 3.401 10.321 ( 0.371 -3.475 -2.090) 4.072 10.321 ( 0.371 -3.475 2.090) 4.072 10.382 ( -0.246 -5.100 -2.944) 5.894 10.382 ( -0.246 -5.100 2.944) 5.894 ======================= Grid point 294 (96/105) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.000 2.780 -0.000) 2.780 1.689 ( 0.000 2.780 -0.000) 2.780 1.810 ( 0.000 7.116 0.000) 7.116 1.810 ( -0.000 7.116 0.000) 7.116 2.126 ( -0.000 6.063 -0.000) 6.063 2.126 ( 0.000 6.063 0.000) 6.063 2.153 ( 0.000 -1.135 -0.000) 1.135 2.153 ( 0.000 -1.135 0.000) 1.135 2.413 ( 0.000 4.676 0.000) 4.676 2.413 ( 0.000 4.676 0.000) 4.676 2.576 ( 0.000 3.437 0.000) 3.437 2.576 ( 0.000 3.437 0.000) 3.437 2.922 ( 0.000 3.301 0.000) 3.301 2.922 ( 0.000 3.301 0.000) 3.301 3.087 ( 0.000 -0.620 0.000) 0.620 3.087 ( 0.000 -0.620 0.000) 0.620 3.385 ( 0.000 -0.635 -0.000) 0.635 3.385 ( -0.000 -0.635 -0.000) 0.635 3.474 ( -0.000 -0.040 0.000) 0.040 3.474 ( 0.000 -0.040 0.000) 0.040 3.833 ( -0.000 7.397 -0.000) 7.397 3.833 ( 0.000 7.397 -0.000) 7.397 3.837 ( -0.000 2.657 0.000) 2.657 3.837 ( 0.000 2.657 0.000) 2.657 6.658 ( 0.000 2.232 0.000) 2.232 6.658 ( 0.000 2.232 0.000) 2.232 6.820 ( 0.000 -1.808 0.000) 1.808 6.820 ( 0.000 -1.808 0.000) 1.808 7.179 ( 0.000 -1.265 0.000) 1.265 7.179 ( 0.000 -1.265 0.000) 1.265 7.418 ( 0.000 2.236 0.000) 2.236 7.418 ( 0.000 2.236 0.000) 2.236 7.528 ( -0.000 4.126 0.000) 4.126 7.528 ( 0.000 4.126 0.000) 4.126 7.802 ( 0.000 7.317 0.000) 7.317 7.802 ( 0.000 7.317 0.000) 7.317 8.073 ( 0.000 1.732 0.000) 1.732 8.073 ( 0.000 1.732 0.000) 1.732 8.297 ( 0.000 19.837 -0.000) 19.837 8.297 ( 0.000 19.837 0.000) 19.837 8.749 ( -0.000 12.259 0.000) 12.259 8.749 ( 0.000 12.259 0.000) 12.259 9.435 ( 0.000 -3.537 0.000) 3.537 9.435 ( 0.000 -3.537 0.000) 3.537 10.326 ( 0.000 -2.886 -0.000) 2.886 10.326 ( 0.000 -2.886 0.000) 2.886 10.379 ( 0.000 -5.515 0.000) 5.515 10.379 ( 0.000 -5.515 0.000) 5.515 ======================= Grid point 300 (97/105) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 0.000 2.945 -3.273) 4.403 1.745 ( 0.000 2.945 3.273) 4.403 1.978 ( 0.000 5.383 -4.408) 6.958 1.978 ( 0.000 5.383 4.408) 6.958 2.076 ( 0.000 2.014 -6.195) 6.514 2.076 ( 0.000 2.014 6.195) 6.514 2.230 ( 0.000 1.529 -0.894) 1.771 2.230 ( 0.000 1.529 0.894) 1.771 2.535 ( 0.000 0.137 -6.523) 6.525 2.535 ( 0.000 0.137 6.523) 6.525 2.570 ( 0.000 2.659 -0.886) 2.803 2.570 ( 0.000 2.659 0.886) 2.803 2.954 ( 0.000 -0.443 -0.900) 1.003 2.954 ( 0.000 -0.443 0.900) 1.003 3.046 ( 0.000 -1.786 -4.088) 4.461 3.046 ( 0.000 -1.786 4.088) 4.461 3.301 ( 0.000 -2.223 -3.790) 4.394 3.301 ( 0.000 -2.223 3.790) 4.394 3.599 ( 0.000 -6.416 -4.886) 8.065 3.599 ( 0.000 -6.416 4.886) 8.065 3.775 ( 0.000 11.809 -1.632) 11.921 3.775 ( 0.000 11.809 1.632) 11.921 4.124 ( 0.000 11.385 -1.643) 11.503 4.124 ( 0.000 11.385 1.643) 11.503 6.693 ( 0.000 1.490 -1.825) 2.356 6.693 ( 0.000 1.490 1.825) 2.356 6.798 ( 0.000 -0.252 -1.633) 1.652 6.798 ( 0.000 -0.252 1.633) 1.652 7.188 ( 0.000 -0.602 -4.415) 4.456 7.188 ( 0.000 -0.602 4.415) 4.456 7.330 ( 0.000 -1.017 -2.155) 2.383 7.330 ( 0.000 -1.017 2.155) 2.383 7.666 ( 0.000 2.859 -0.157) 2.863 7.666 ( 0.000 2.859 0.157) 2.863 7.961 ( 0.000 -2.022 -1.303) 2.405 7.961 ( 0.000 -2.022 1.303) 2.405 8.070 ( 0.000 10.995 -0.137) 10.996 8.070 ( 0.000 10.995 0.137) 10.996 8.612 ( 0.000 9.271 -4.637) 10.366 8.612 ( 0.000 9.271 4.637) 10.366 8.999 ( 0.000 10.178 -0.811) 10.210 8.999 ( 0.000 10.178 0.811) 10.210 9.397 ( 0.000 -0.106 -0.295) 0.314 9.397 ( 0.000 -0.106 0.295) 0.314 10.233 ( 0.000 -4.315 -2.191) 4.839 10.233 ( 0.000 -4.315 2.191) 4.839 10.307 ( 0.000 -2.838 -2.718) 3.930 10.307 ( 0.000 -2.838 2.718) 3.930 ======================= Grid point 302 (98/105) ======================= q-point: ( 0.25 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -0.059 2.805 -2.357) 3.664 1.744 ( -0.059 2.805 2.357) 3.664 1.959 ( -1.278 5.650 -3.497) 6.767 1.959 ( -1.278 5.650 3.497) 6.767 2.112 ( 2.846 1.882 -4.327) 5.510 2.112 ( 2.846 1.882 4.327) 5.510 2.220 ( -1.030 1.670 -1.295) 2.351 2.220 ( -1.030 1.670 1.295) 2.351 2.507 ( -1.681 1.894 -3.479) 4.304 2.507 ( -1.681 1.894 3.479) 4.304 2.592 ( 1.246 0.778 -0.851) 1.698 2.592 ( 1.246 0.778 0.851) 1.698 2.961 ( 0.538 0.401 -0.303) 0.736 2.961 ( 0.538 0.401 0.303) 0.736 3.052 ( 0.550 -1.994 -3.351) 3.938 3.052 ( 0.550 -1.994 3.351) 3.938 3.316 ( 1.680 -2.478 -3.877) 4.898 3.316 ( 1.680 -2.478 3.877) 4.898 3.509 ( -6.332 -4.011 -4.559) 8.773 3.509 ( -6.332 -4.011 4.559) 8.773 3.867 ( 6.722 9.459 -3.013) 11.989 3.867 ( 6.722 9.459 3.013) 11.989 4.092 ( -3.223 11.080 -1.961) 11.705 4.092 ( -3.223 11.080 1.961) 11.705 6.699 ( 0.459 1.827 -1.409) 2.352 6.699 ( 0.459 1.827 1.409) 2.352 6.796 ( -0.189 -0.530 -1.269) 1.388 6.796 ( -0.189 -0.530 1.269) 1.388 7.171 ( -1.193 -0.634 -2.742) 3.057 7.171 ( -1.193 -0.634 2.742) 3.057 7.366 ( 2.914 -1.603 -1.858) 3.810 7.366 ( 2.914 -1.603 1.858) 3.810 7.642 ( -2.172 3.316 -1.072) 4.106 7.642 ( -2.172 3.316 1.072) 4.106 7.923 ( -2.231 0.823 -0.949) 2.560 7.923 ( -2.231 0.823 0.949) 2.560 8.124 ( 3.531 8.158 -1.195) 8.969 8.124 ( 3.531 8.158 1.195) 8.969 8.607 ( -0.433 9.531 -3.502) 10.163 8.607 ( -0.433 9.531 3.502) 10.163 8.991 ( -0.623 10.347 -0.766) 10.394 8.991 ( -0.623 10.347 0.766) 10.394 9.392 ( -0.421 -0.716 -0.247) 0.867 9.392 ( -0.421 -0.716 0.247) 0.867 10.247 ( 1.296 -3.977 -2.385) 4.815 10.247 ( 1.296 -3.977 2.385) 4.815 10.299 ( -0.841 -2.933 -2.716) 4.084 10.299 ( -0.841 -2.933 2.716) 4.084 ======================= Grid point 304 (99/105) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.000 2.663 0.000) 2.663 1.744 ( 0.000 2.663 0.000) 2.663 1.945 ( -0.000 5.991 0.000) 5.991 1.945 ( 0.000 5.991 0.000) 5.991 2.153 ( -0.000 1.352 0.000) 1.352 2.153 ( 0.000 1.352 0.000) 1.352 2.199 ( 0.000 2.132 -0.000) 2.132 2.199 ( 0.000 2.132 0.000) 2.132 2.489 ( -0.000 2.506 -0.000) 2.506 2.489 ( 0.000 2.506 0.000) 2.506 2.605 ( -0.000 0.059 0.000) 0.059 2.605 ( 0.000 0.059 0.000) 0.059 2.967 ( 0.000 1.171 -0.000) 1.171 2.967 ( 0.000 1.171 0.000) 1.171 3.059 ( 0.000 -2.042 -0.000) 2.042 3.059 ( 0.000 -2.042 0.000) 2.042 3.353 ( 0.000 -2.422 -0.000) 2.422 3.353 ( 0.000 -2.422 0.000) 2.422 3.422 ( -0.000 -4.330 -0.000) 4.330 3.422 ( 0.000 -4.330 0.000) 4.330 3.972 ( -0.000 9.536 -0.000) 9.536 3.972 ( 0.000 9.536 0.000) 9.536 4.023 ( -0.000 10.666 0.000) 10.666 4.023 ( 0.000 10.666 0.000) 10.666 6.704 ( 0.000 2.232 0.000) 2.232 6.704 ( 0.000 2.232 0.000) 2.232 6.793 ( 0.000 -0.877 0.000) 0.877 6.793 ( 0.000 -0.877 0.000) 0.877 7.158 ( 0.000 -0.685 0.000) 0.685 7.158 ( 0.000 -0.685 0.000) 0.685 7.404 ( 0.000 -2.611 0.000) 2.611 7.404 ( 0.000 -2.611 0.000) 2.611 7.611 ( 0.000 4.232 0.000) 4.232 7.611 ( 0.000 4.232 0.000) 4.232 7.900 ( -0.000 1.546 -0.000) 1.546 7.900 ( 0.000 1.546 0.000) 1.546 8.163 ( 0.000 7.400 0.000) 7.400 8.163 ( 0.000 7.400 0.000) 7.400 8.601 ( -0.000 9.829 0.000) 9.829 8.601 ( 0.000 9.829 0.000) 9.829 8.983 ( 0.000 10.486 0.000) 10.486 8.983 ( 0.000 10.486 0.000) 10.486 9.387 ( 0.000 -1.300 0.000) 1.300 9.387 ( 0.000 -1.300 0.000) 1.300 10.275 ( 0.000 -4.532 -0.000) 4.532 10.275 ( -0.000 -4.532 0.000) 4.532 10.277 ( -0.000 -2.145 -0.000) 2.145 10.277 ( 0.000 -2.145 0.000) 2.145 ======================= Grid point 310 (100/105) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.000 3.350 -1.152) 3.542 1.805 ( 0.000 3.350 1.152) 3.542 2.049 ( 0.000 0.904 -3.297) 3.419 2.049 ( 0.000 0.904 3.297) 3.419 2.135 ( 0.000 3.586 -3.306) 4.877 2.135 ( 0.000 3.586 3.306) 4.877 2.252 ( 0.000 0.983 -0.684) 1.198 2.252 ( 0.000 0.983 0.684) 1.198 2.542 ( 0.000 0.560 -5.448) 5.477 2.542 ( 0.000 0.560 5.448) 5.477 2.593 ( 0.000 -0.075 -2.386) 2.387 2.593 ( 0.000 -0.075 2.386) 2.387 2.912 ( 0.000 -2.553 -3.621) 4.430 2.912 ( 0.000 -2.553 3.621) 4.430 3.038 ( 0.000 0.567 -1.787) 1.875 3.038 ( 0.000 0.567 1.787) 1.875 3.253 ( 0.000 -2.434 -3.230) 4.044 3.253 ( 0.000 -2.434 3.230) 4.044 3.470 ( 0.000 -5.843 -3.209) 6.666 3.470 ( 0.000 -5.843 3.209) 6.666 4.002 ( 0.000 9.851 -0.317) 9.856 4.002 ( 0.000 9.851 0.317) 9.856 4.335 ( 0.000 8.901 -1.278) 8.992 4.335 ( 0.000 8.901 1.278) 8.992 6.711 ( 0.000 0.399 -1.008) 1.084 6.711 ( 0.000 0.399 1.008) 1.084 6.805 ( 0.000 0.738 -1.010) 1.251 6.805 ( 0.000 0.738 1.010) 1.251 7.183 ( 0.000 0.144 -3.400) 3.403 7.183 ( 0.000 0.144 3.400) 3.403 7.301 ( 0.000 -1.740 -1.058) 2.036 7.301 ( 0.000 -1.740 1.058) 2.036 7.722 ( 0.000 2.682 -0.243) 2.693 7.722 ( 0.000 2.682 0.243) 2.693 7.918 ( 0.000 -2.189 -0.628) 2.277 7.918 ( 0.000 -2.189 0.628) 2.277 8.270 ( 0.000 8.708 -0.487) 8.722 8.270 ( 0.000 8.708 0.487) 8.722 8.707 ( 0.000 0.760 -3.331) 3.416 8.707 ( 0.000 0.760 3.331) 3.416 9.149 ( 0.000 4.950 -0.514) 4.977 9.149 ( 0.000 4.950 0.514) 4.977 9.423 ( 0.000 2.060 -0.627) 2.153 9.423 ( 0.000 2.060 0.627) 2.153 10.156 ( 0.000 -3.062 -1.503) 3.411 10.156 ( 0.000 -3.062 1.503) 3.411 10.264 ( 0.000 -1.602 -1.569) 2.243 10.264 ( 0.000 -1.602 1.569) 2.243 ======================= Grid point 312 (101/105) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.073 3.696 -0.822) 3.787 1.806 ( 0.073 3.696 0.822) 3.787 2.042 ( -0.487 1.967 -2.535) 3.245 2.042 ( -0.487 1.967 2.535) 3.245 2.160 ( 2.241 2.533 -4.401) 5.550 2.160 ( 2.241 2.533 4.401) 5.550 2.243 ( -0.972 0.848 -1.707) 2.139 2.243 ( -0.972 0.848 1.707) 2.139 2.532 ( -0.722 1.007 -3.825) 4.021 2.532 ( -0.722 1.007 3.825) 4.021 2.593 ( -0.021 -0.637 -1.449) 1.583 2.593 ( -0.021 -0.637 1.449) 1.583 2.939 ( 2.423 -1.924 -2.637) 4.065 2.939 ( 2.423 -1.924 2.637) 4.065 3.031 ( -0.780 -0.106 -1.799) 1.964 3.031 ( -0.780 -0.106 1.799) 1.964 3.264 ( 1.287 -2.540 -3.156) 4.250 3.264 ( 1.287 -2.540 3.156) 4.250 3.412 ( -4.982 -4.827 -2.847) 7.499 3.412 ( -4.982 -4.827 2.847) 7.499 4.068 ( 5.813 9.207 -1.056) 10.940 4.068 ( 5.813 9.207 1.056) 10.940 4.299 ( -3.587 8.792 -1.317) 9.586 4.299 ( -3.587 8.792 1.317) 9.586 6.725 ( 1.234 0.752 -0.976) 1.744 6.725 ( 1.234 0.752 0.976) 1.744 6.797 ( -0.839 0.480 -0.978) 1.375 6.797 ( -0.839 0.480 0.978) 1.375 7.169 ( -1.021 0.508 -2.279) 2.549 7.169 ( -1.021 0.508 2.279) 2.549 7.318 ( 1.347 -2.886 -1.001) 3.338 7.318 ( 1.347 -2.886 1.001) 3.338 7.710 ( -1.003 3.406 -0.899) 3.663 7.710 ( -1.003 3.406 0.899) 3.663 7.903 ( -1.036 -1.864 -0.319) 2.156 7.903 ( -1.036 -1.864 0.319) 2.156 8.302 ( 2.562 8.610 -0.670) 9.008 8.302 ( 2.562 8.610 0.670) 9.008 8.701 ( -0.509 0.430 -2.539) 2.625 8.701 ( -0.509 0.430 2.539) 2.625 9.154 ( 0.452 5.900 -0.395) 5.931 9.154 ( 0.452 5.900 0.395) 5.931 9.398 ( -2.060 0.824 -0.650) 2.312 9.398 ( -2.060 0.824 0.650) 2.312 10.177 ( 1.838 -2.679 -1.544) 3.597 10.177 ( 1.838 -2.679 1.544) 3.597 10.255 ( -0.940 -1.684 -1.542) 2.469 10.255 ( -0.940 -1.684 1.542) 2.469 ======================= Grid point 314 (102/105) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 0.000 4.030 0.000) 4.030 1.807 ( 0.000 4.030 0.000) 4.030 2.037 ( -0.000 2.618 0.000) 2.618 2.037 ( 0.000 2.618 0.000) 2.618 2.198 ( -0.000 2.542 -0.000) 2.542 2.198 ( 0.000 2.542 0.000) 2.542 2.220 ( 0.000 0.077 -0.000) 0.077 2.220 ( 0.000 0.077 0.000) 0.077 2.524 ( 0.000 1.357 -0.000) 1.357 2.524 ( 0.000 1.357 0.000) 1.357 2.592 ( -0.000 -1.089 0.000) 1.089 2.592 ( 0.000 -1.089 0.000) 1.089 2.977 ( -0.000 0.075 -0.000) 0.075 2.977 ( -0.000 0.075 0.000) 0.075 3.013 ( 0.000 -2.191 -0.000) 2.191 3.013 ( 0.000 -2.191 0.000) 2.191 3.299 ( 0.000 -2.684 -0.000) 2.684 3.299 ( 0.000 -2.684 0.000) 2.684 3.333 ( -0.000 -4.052 -0.000) 4.052 3.333 ( -0.000 -4.052 0.000) 4.052 4.170 ( -0.000 9.196 0.000) 9.196 4.170 ( 0.000 9.196 0.000) 9.196 4.223 ( -0.000 8.356 0.000) 8.356 4.223 ( 0.000 8.356 0.000) 8.356 6.744 ( 0.000 1.617 0.000) 1.617 6.744 ( -0.000 1.617 0.000) 1.617 6.782 ( -0.000 -0.288 -0.000) 0.288 6.782 ( 0.000 -0.288 0.000) 0.288 7.157 ( 0.000 0.726 -0.000) 0.726 7.157 ( 0.000 0.726 0.000) 0.726 7.334 ( 0.000 -3.986 0.000) 3.986 7.334 ( 0.000 -3.986 0.000) 3.986 7.697 ( 0.000 4.242 0.000) 4.242 7.697 ( 0.000 4.242 0.000) 4.242 7.892 ( 0.000 -1.685 -0.000) 1.685 7.892 ( 0.000 -1.685 0.000) 1.685 8.333 ( 0.000 8.722 0.000) 8.722 8.333 ( 0.000 8.722 0.000) 8.722 8.694 ( -0.000 0.023 0.000) 0.023 8.694 ( 0.000 0.023 0.000) 0.023 9.160 ( -0.000 7.156 0.000) 7.156 9.160 ( 0.000 7.156 0.000) 7.156 9.372 ( -0.000 -0.685 -0.000) 0.685 9.372 ( 0.000 -0.685 0.000) 0.685 10.206 ( -0.000 -2.220 0.000) 2.220 10.206 ( 0.000 -2.220 0.000) 2.220 10.237 ( 0.000 -1.875 0.000) 1.875 10.237 ( 0.000 -1.875 0.000) 1.875 ======================= Grid point 320 (103/105) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.000 3.653 -0.397) 3.675 1.881 ( 0.000 3.653 0.397) 3.675 2.019 ( 0.000 -2.793 -0.234) 2.803 2.019 ( 0.000 -2.793 0.234) 2.803 2.196 ( 0.000 1.886 -0.803) 2.050 2.196 ( 0.000 1.886 0.803) 2.050 2.271 ( 0.000 0.686 -0.679) 0.965 2.271 ( 0.000 0.686 0.679) 0.965 2.554 ( 0.000 0.560 -2.487) 2.550 2.554 ( 0.000 0.560 2.487) 2.550 2.580 ( 0.000 -0.769 -0.907) 1.189 2.580 ( 0.000 -0.769 0.907) 1.189 2.879 ( 0.000 -0.730 -1.647) 1.801 2.879 ( 0.000 -0.730 1.647) 1.801 3.053 ( 0.000 0.615 -0.886) 1.079 3.053 ( 0.000 0.615 0.886) 1.079 3.212 ( 0.000 -1.280 -1.516) 1.984 3.212 ( 0.000 -1.280 1.516) 1.984 3.382 ( 0.000 -2.524 -1.216) 2.802 3.382 ( 0.000 -2.524 1.216) 2.802 4.144 ( 0.000 3.776 -0.244) 3.784 4.144 ( 0.000 3.776 0.244) 3.784 4.461 ( 0.000 3.337 -0.475) 3.371 4.461 ( 0.000 3.337 0.475) 3.371 6.715 ( 0.000 0.050 -0.263) 0.267 6.715 ( 0.000 0.050 0.263) 0.267 6.818 ( 0.000 0.351 -0.253) 0.433 6.818 ( 0.000 0.351 0.253) 0.433 7.192 ( 0.000 0.502 -1.522) 1.602 7.192 ( 0.000 0.502 1.522) 1.602 7.269 ( 0.000 -1.122 -0.025) 1.123 7.269 ( 0.000 -1.122 0.025) 1.123 7.767 ( 0.000 1.539 -0.212) 1.553 7.767 ( 0.000 1.539 0.212) 1.553 7.880 ( 0.000 -1.314 -0.082) 1.316 7.880 ( 0.000 -1.314 0.082) 1.316 8.408 ( 0.000 4.427 -0.456) 4.450 8.408 ( 0.000 4.427 0.456) 4.450 8.681 ( 0.000 -1.974 -1.343) 2.388 8.681 ( 0.000 -1.974 1.343) 2.388 9.211 ( 0.000 1.469 -0.307) 1.500 9.211 ( 0.000 1.469 0.307) 1.500 9.456 ( 0.000 0.959 -0.370) 1.028 9.456 ( 0.000 0.959 0.370) 1.028 10.115 ( 0.000 -1.010 -0.499) 1.126 10.115 ( 0.000 -1.010 0.499) 1.126 10.241 ( 0.000 -0.608 -0.521) 0.800 10.241 ( 0.000 -0.608 0.521) 0.800 ======================= Grid point 322 (104/105) ======================= q-point: ( 0.25 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 1.199 4.757 -0.157) 4.909 1.896 ( 1.199 4.757 0.157) 4.909 2.021 ( 0.140 -3.377 -0.200) 3.386 2.021 ( 0.140 -3.377 0.200) 3.386 2.204 ( 0.858 1.489 -1.176) 2.082 2.204 ( 0.858 1.489 1.176) 2.082 2.259 ( -1.166 0.581 -1.214) 1.781 2.259 ( -1.166 0.581 1.214) 1.781 2.551 ( -0.208 0.798 -2.131) 2.285 2.551 ( -0.208 0.798 2.131) 2.285 2.575 ( -0.444 -0.875 -1.050) 1.437 2.575 ( -0.444 -0.875 1.050) 1.437 2.910 ( 3.025 -0.712 -1.389) 3.404 2.910 ( 3.025 -0.712 1.389) 3.404 3.035 ( -1.898 0.255 -0.787) 2.071 3.035 ( -1.898 0.255 0.787) 2.071 3.224 ( 1.247 -1.204 -1.363) 2.205 3.224 ( 1.247 -1.204 1.363) 2.205 3.338 ( -3.827 -2.107 -1.027) 4.488 3.338 ( -3.827 -2.107 1.027) 4.488 4.203 ( 5.429 3.642 -0.345) 6.547 4.203 ( 5.429 3.642 0.345) 6.547 4.424 ( -3.757 3.294 -0.478) 5.020 4.424 ( -3.757 3.294 0.478) 5.020 6.733 ( 1.717 0.158 -0.289) 1.749 6.733 ( 1.717 0.158 0.289) 1.749 6.806 ( -1.174 0.305 -0.279) 1.245 6.806 ( -1.174 0.305 0.279) 1.245 7.191 ( -0.087 1.398 -1.263) 1.886 7.191 ( -0.087 1.398 1.263) 1.886 7.261 ( -0.604 -2.370 -0.213) 2.455 7.261 ( -0.604 -2.370 0.213) 2.455 7.772 ( 0.421 2.375 -0.471) 2.457 7.772 ( 0.421 2.375 0.471) 2.457 7.863 ( -1.389 -1.817 -0.084) 2.289 7.863 ( -1.389 -1.817 0.084) 2.289 8.449 ( 3.557 5.271 -0.532) 6.381 8.449 ( 3.557 5.271 0.532) 6.381 8.662 ( -1.817 -2.904 -1.149) 3.613 8.662 ( -1.817 -2.904 1.149) 3.613 9.233 ( 2.212 2.004 -0.321) 3.002 9.233 ( 2.212 2.004 0.321) 3.002 9.410 ( -4.147 0.295 -0.459) 4.183 9.410 ( -4.147 0.295 0.459) 4.183 10.143 ( 2.444 -0.780 -0.552) 2.624 10.143 ( 2.444 -0.780 0.552) 2.624 10.230 ( -1.176 -0.689 -0.536) 1.465 10.230 ( -1.176 -0.689 0.536) 1.465 ======================= Grid point 324 (105/105) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.000 6.041 0.000) 6.041 1.911 ( 0.000 6.041 0.000) 6.041 2.023 ( 0.000 -4.062 0.000) 4.062 2.023 ( 0.000 -4.062 0.000) 4.062 2.226 ( 0.000 0.835 0.000) 0.835 2.226 ( 0.000 0.835 0.000) 0.835 2.233 ( -0.000 0.650 -0.000) 0.650 2.233 ( 0.000 0.650 0.000) 0.650 2.549 ( 0.000 1.102 -0.000) 1.102 2.549 ( 0.000 1.102 0.000) 1.102 2.569 ( 0.000 -1.056 -0.000) 1.056 2.569 ( 0.000 -1.056 0.000) 1.056 2.977 ( -0.000 -0.035 0.000) 0.035 2.977 ( -0.000 -0.035 0.000) 0.035 2.982 ( 0.000 -0.798 -0.000) 0.798 2.982 ( 0.000 -0.798 0.000) 0.798 3.260 ( 0.000 -0.873 -0.000) 0.873 3.260 ( 0.000 -0.873 0.000) 0.873 3.271 ( -0.000 -1.950 -0.000) 1.950 3.271 ( -0.000 -1.950 0.000) 1.950 4.312 ( -0.000 4.444 0.000) 4.444 4.312 ( 0.000 4.444 0.000) 4.444 4.334 ( -0.000 2.361 0.000) 2.361 4.334 ( 0.000 2.361 0.000) 2.361 6.768 ( -0.000 0.793 0.000) 0.793 6.768 ( 0.000 0.793 0.000) 0.793 6.778 ( -0.000 -0.268 0.000) 0.268 6.778 ( 0.000 -0.268 0.000) 0.268 7.189 ( 0.000 2.473 -0.000) 2.473 7.189 ( 0.000 2.473 0.000) 2.473 7.254 ( 0.000 -3.794 0.000) 3.794 7.254 ( 0.000 -3.794 0.000) 3.794 7.778 ( -0.000 3.745 0.000) 3.745 7.778 ( 0.000 3.745 0.000) 3.745 7.845 ( -0.000 -2.877 0.000) 2.877 7.845 ( 0.000 -2.877 0.000) 2.877 8.499 ( 0.000 7.671 0.000) 7.671 8.499 ( 0.000 7.671 0.000) 7.671 8.633 ( 0.000 -5.373 0.000) 5.373 8.633 ( 0.000 -5.373 0.000) 5.373 9.276 ( -0.000 4.497 0.000) 4.497 9.276 ( 0.000 4.497 0.000) 4.497 9.344 ( -0.000 -2.302 0.000) 2.302 9.344 ( 0.000 -2.302 0.000) 2.302 10.186 ( -0.000 0.076 0.000) 0.076 10.186 ( -0.000 0.076 0.000) 0.076 10.202 ( 0.000 -1.423 0.000) 1.423 10.202 ( 0.000 -1.423 0.000) 1.423 =================== 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 3/19968 10.0 1313.721 1280.833 1100.774 0.000 0.000 0.000 3/19968 20.0 124.405 174.687 128.149 0.000 0.000 0.000 3/19968 30.0 42.372 67.067 45.219 0.000 0.000 0.000 3/19968 40.0 23.874 39.213 25.914 0.000 0.000 0.000 3/19968 50.0 16.475 27.424 18.060 0.000 0.000 0.000 3/19968 60.0 12.524 20.951 13.785 0.000 0.000 0.000 3/19968 70.0 10.060 16.868 11.078 0.000 0.000 0.000 3/19968 80.0 8.380 14.079 9.217 0.000 0.000 0.000 3/19968 90.0 7.167 12.068 7.869 0.000 0.000 0.000 3/19968 100.0 6.255 10.559 6.853 0.000 0.000 0.000 3/19968 110.0 5.547 9.389 6.066 0.000 0.000 0.000 3/19968 120.0 4.983 8.458 5.439 0.000 0.000 0.000 3/19968 130.0 4.524 7.700 4.930 0.000 0.000 0.000 3/19968 140.0 4.144 7.071 4.509 0.000 0.000 0.000 3/19968 150.0 3.823 6.540 4.155 0.000 0.000 0.000 3/19968 160.0 3.550 6.086 3.854 0.000 0.000 0.000 3/19968 170.0 3.314 5.694 3.594 0.000 0.000 0.000 3/19968 180.0 3.108 5.351 3.368 0.000 0.000 0.000 3/19968 190.0 2.927 5.048 3.169 0.000 0.000 0.000 3/19968 200.0 2.766 4.779 2.994 0.000 0.000 0.000 3/19968 210.0 2.623 4.538 2.837 0.000 0.000 0.000 3/19968 220.0 2.494 4.320 2.696 0.000 0.000 0.000 3/19968 230.0 2.377 4.124 2.569 0.000 0.000 0.000 3/19968 240.0 2.271 3.944 2.453 0.000 0.000 0.000 3/19968 250.0 2.175 3.781 2.348 0.000 0.000 0.000 3/19968 260.0 2.086 3.630 2.252 0.000 0.000 0.000 3/19968 270.0 2.005 3.491 2.163 0.000 0.000 0.000 3/19968 280.0 1.929 3.363 2.082 0.000 0.000 0.000 3/19968 290.0 1.860 3.244 2.006 0.000 0.000 0.000 3/19968 300.0 1.795 3.133 1.936 0.000 0.000 0.000 3/19968 310.0 1.735 3.030 1.870 0.000 0.000 0.000 3/19968 320.0 1.678 2.933 1.809 0.000 0.000 0.000 3/19968 330.0 1.626 2.843 1.752 0.000 0.000 0.000 3/19968 340.0 1.576 2.758 1.699 0.000 0.000 0.000 3/19968 350.0 1.530 2.678 1.649 0.000 0.000 0.000 3/19968 360.0 1.486 2.602 1.601 0.000 0.000 0.000 3/19968 370.0 1.445 2.531 1.557 0.000 0.000 0.000 3/19968 380.0 1.406 2.464 1.514 0.000 0.000 0.000 3/19968 390.0 1.369 2.400 1.474 0.000 0.000 0.000 3/19968 400.0 1.334 2.339 1.437 0.000 0.000 0.000 3/19968 410.0 1.300 2.281 1.401 0.000 0.000 0.000 3/19968 420.0 1.269 2.227 1.366 0.000 0.000 0.000 3/19968 430.0 1.239 2.174 1.334 0.000 0.000 0.000 3/19968 440.0 1.210 2.125 1.303 0.000 0.000 0.000 3/19968 450.0 1.183 2.077 1.273 0.000 0.000 0.000 3/19968 460.0 1.156 2.032 1.245 0.000 0.000 0.000 3/19968 470.0 1.131 1.988 1.218 0.000 0.000 0.000 3/19968 480.0 1.107 1.946 1.192 0.000 0.000 0.000 3/19968 490.0 1.085 1.906 1.168 0.000 0.000 0.000 3/19968 500.0 1.063 1.868 1.144 0.000 0.000 0.000 3/19968 510.0 1.041 1.831 1.121 0.000 0.000 0.000 3/19968 520.0 1.021 1.796 1.099 0.000 0.000 0.000 3/19968 530.0 1.002 1.762 1.078 0.000 0.000 0.000 3/19968 540.0 0.983 1.729 1.058 0.000 0.000 0.000 3/19968 550.0 0.965 1.698 1.038 0.000 0.000 0.000 3/19968 560.0 0.947 1.667 1.020 0.000 0.000 0.000 3/19968 570.0 0.930 1.638 1.001 0.000 0.000 0.000 3/19968 580.0 0.914 1.610 0.984 0.000 0.000 0.000 3/19968 590.0 0.899 1.582 0.967 0.000 0.000 0.000 3/19968 600.0 0.884 1.556 0.951 0.000 0.000 0.000 3/19968 610.0 0.869 1.530 0.935 0.000 0.000 0.000 3/19968 620.0 0.855 1.505 0.920 0.000 0.000 0.000 3/19968 630.0 0.841 1.481 0.905 0.000 0.000 0.000 3/19968 640.0 0.828 1.458 0.891 0.000 0.000 0.000 3/19968 650.0 0.815 1.436 0.877 0.000 0.000 0.000 3/19968 660.0 0.803 1.414 0.864 0.000 0.000 0.000 3/19968 670.0 0.790 1.393 0.851 0.000 0.000 0.000 3/19968 680.0 0.779 1.372 0.838 0.000 0.000 0.000 3/19968 690.0 0.767 1.352 0.826 0.000 0.000 0.000 3/19968 700.0 0.756 1.333 0.814 0.000 0.000 0.000 3/19968 710.0 0.746 1.314 0.802 0.000 0.000 0.000 3/19968 720.0 0.735 1.296 0.791 0.000 0.000 0.000 3/19968 730.0 0.725 1.278 0.780 0.000 0.000 0.000 3/19968 740.0 0.715 1.261 0.770 0.000 0.000 0.000 3/19968 750.0 0.706 1.244 0.759 0.000 0.000 0.000 3/19968 760.0 0.696 1.228 0.749 0.000 0.000 0.000 3/19968 770.0 0.687 1.212 0.739 0.000 0.000 0.000 3/19968 780.0 0.678 1.196 0.730 0.000 0.000 0.000 3/19968 790.0 0.670 1.181 0.721 0.000 0.000 0.000 3/19968 800.0 0.661 1.166 0.712 0.000 0.000 0.000 3/19968 810.0 0.653 1.152 0.703 0.000 0.000 0.000 3/19968 820.0 0.645 1.138 0.694 0.000 0.000 0.000 3/19968 830.0 0.637 1.124 0.686 0.000 0.000 0.000 3/19968 840.0 0.630 1.111 0.678 0.000 0.000 0.000 3/19968 850.0 0.622 1.098 0.669 0.000 0.000 0.000 3/19968 860.0 0.615 1.085 0.662 0.000 0.000 0.000 3/19968 870.0 0.608 1.073 0.654 0.000 0.000 0.000 3/19968 880.0 0.601 1.060 0.647 0.000 0.000 0.000 3/19968 890.0 0.594 1.048 0.639 0.000 0.000 0.000 3/19968 900.0 0.588 1.037 0.632 0.000 0.000 0.000 3/19968 910.0 0.581 1.025 0.625 0.000 0.000 0.000 3/19968 920.0 0.575 1.014 0.618 0.000 0.000 0.000 3/19968 930.0 0.569 1.003 0.612 0.000 0.000 0.000 3/19968 940.0 0.562 0.993 0.605 0.000 0.000 0.000 3/19968 950.0 0.557 0.982 0.599 0.000 0.000 0.000 3/19968 960.0 0.551 0.972 0.593 0.000 0.000 0.000 3/19968 970.0 0.545 0.962 0.586 0.000 0.000 0.000 3/19968 980.0 0.539 0.952 0.580 0.000 0.000 0.000 3/19968 990.0 0.534 0.943 0.574 0.000 0.000 0.000 3/19968 1000.0 0.529 0.933 0.569 0.000 0.000 0.000 3/19968 Thermal conductivity related properties were written into "kappa-m4138.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:07:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|