----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:43:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 13.266047120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.892161780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.164588180000000 Atomic positions (fractional): *1 S 0.29707720670958 0.25000000000000 0.25214420190038 32.065 2 S 0.70292279329041 0.75000000000000 0.74785579809962 32.065 3 S 0.20292279329041 0.75000000000000 0.75214420190038 32.065 4 S 0.79707720670959 0.25000000000000 0.24785579809962 32.065 *5 S 0.45851551283084 0.25000000000000 0.74965249389340 32.065 6 S 0.95851551283084 0.25000000000000 0.75034750610660 32.065 7 S 0.04148448716916 0.75000000000000 0.24965249389340 32.065 8 S 0.54148448716916 0.75000000000000 0.25034750610660 32.065 *9 Cu 0.45856134224041 0.25000000000000 0.12901297224558 63.546 10 Cu 0.04143865775959 0.75000000000000 0.62901297224558 63.546 11 Cu 0.54143865775959 0.75000000000000 0.87098702775442 63.546 12 Cu 0.95856134224041 0.25000000000000 0.37098702775442 63.546 *13 Y 0.63276298417561 0.25000000000000 0.50272479100709 88.906 14 Y 0.36723701582439 0.75000000000000 0.49727520899291 88.906 15 Y 0.86723701582439 0.75000000000000 0.00272479100709 88.906 16 Y 0.13276298417561 0.25000000000000 0.99727520899291 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.266047120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.892161780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.164588180000000 Atomic positions (fractional): *1 S 0.29707720670958 0.25000000000000 0.25214420190038 32.065 > 1 2 S 0.70292279329041 0.75000000000000 0.74785579809962 32.065 > 2 3 S 0.20292279329041 0.75000000000000 0.75214420190038 32.065 > 3 4 S 0.79707720670959 0.25000000000000 0.24785579809962 32.065 > 4 *5 S 0.45851551283084 0.25000000000000 0.74965249389340 32.065 > 5 6 S 0.95851551283084 0.25000000000000 0.75034750610660 32.065 > 6 7 S 0.04148448716916 0.75000000000000 0.24965249389340 32.065 > 7 8 S 0.54148448716916 0.75000000000000 0.25034750610660 32.065 > 8 *9 Cu 0.45856134224041 0.25000000000000 0.12901297224558 63.546 > 9 10 Cu 0.04143865775959 0.75000000000000 0.62901297224558 63.546 > 10 11 Cu 0.54143865775959 0.75000000000000 0.87098702775442 63.546 > 11 12 Cu 0.95856134224041 0.25000000000000 0.37098702775442 63.546 > 12 *13 Y 0.63276298417561 0.25000000000000 0.50272479100709 88.906 > 13 14 Y 0.36723701582439 0.75000000000000 0.49727520899291 88.906 > 14 15 Y 0.86723701582439 0.75000000000000 0.00272479100709 88.906 > 15 16 Y 0.13276298417561 0.25000000000000 0.99727520899291 88.906 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.266047120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.568647120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.329176360000000 Atomic positions (fractional): *1 S 0.29707720670958 0.06250000000000 0.12607210095019 32.065 > 1 2 S 0.29707720670958 0.31250000000000 0.12607210095019 32.065 > 1 3 S 0.29707720670958 0.56250000000000 0.12607210095019 32.065 > 1 4 S 0.29707720670958 0.81250000000000 0.12607210095019 32.065 > 1 5 S 0.29707720670958 0.06250000000000 0.62607210095019 32.065 > 1 6 S 0.29707720670958 0.31250000000000 0.62607210095019 32.065 > 1 7 S 0.29707720670958 0.56250000000000 0.62607210095019 32.065 > 1 8 S 0.29707720670958 0.81250000000000 0.62607210095019 32.065 > 1 9 S 0.70292279329041 0.18750000000000 0.37392789904981 32.065 > 2 10 S 0.70292279329041 0.43750000000000 0.37392789904981 32.065 > 2 11 S 0.70292279329041 0.68750000000000 0.37392789904981 32.065 > 2 12 S 0.70292279329041 0.93750000000000 0.37392789904981 32.065 > 2 13 S 0.70292279329041 0.18750000000000 0.87392789904981 32.065 > 2 14 S 0.70292279329041 0.43750000000000 0.87392789904981 32.065 > 2 15 S 0.70292279329041 0.68750000000000 0.87392789904981 32.065 > 2 16 S 0.70292279329041 0.93750000000000 0.87392789904981 32.065 > 2 17 S 0.20292279329041 0.18750000000000 0.37607210095019 32.065 > 3 18 S 0.20292279329041 0.43750000000000 0.37607210095019 32.065 > 3 19 S 0.20292279329041 0.68750000000000 0.37607210095019 32.065 > 3 20 S 0.20292279329041 0.93750000000000 0.37607210095019 32.065 > 3 21 S 0.20292279329041 0.18750000000000 0.87607210095019 32.065 > 3 22 S 0.20292279329041 0.43750000000000 0.87607210095019 32.065 > 3 23 S 0.20292279329041 0.68750000000000 0.87607210095019 32.065 > 3 24 S 0.20292279329041 0.93750000000000 0.87607210095019 32.065 > 3 25 S 0.79707720670959 0.06250000000000 0.12392789904981 32.065 > 4 26 S 0.79707720670959 0.31250000000000 0.12392789904981 32.065 > 4 27 S 0.79707720670959 0.56250000000000 0.12392789904981 32.065 > 4 28 S 0.79707720670959 0.81250000000000 0.12392789904981 32.065 > 4 29 S 0.79707720670959 0.06250000000000 0.62392789904981 32.065 > 4 30 S 0.79707720670959 0.31250000000000 0.62392789904981 32.065 > 4 31 S 0.79707720670959 0.56250000000000 0.62392789904981 32.065 > 4 32 S 0.79707720670959 0.81250000000000 0.62392789904981 32.065 > 4 *33 S 0.45851551283084 0.06250000000000 0.37482624694670 32.065 > 5 34 S 0.45851551283084 0.31250000000000 0.37482624694670 32.065 > 5 35 S 0.45851551283084 0.56250000000000 0.37482624694670 32.065 > 5 36 S 0.45851551283084 0.81250000000000 0.37482624694670 32.065 > 5 37 S 0.45851551283084 0.06250000000000 0.87482624694670 32.065 > 5 38 S 0.45851551283084 0.31250000000000 0.87482624694670 32.065 > 5 39 S 0.45851551283084 0.56250000000000 0.87482624694670 32.065 > 5 40 S 0.45851551283084 0.81250000000000 0.87482624694670 32.065 > 5 41 S 0.95851551283084 0.06250000000000 0.37517375305330 32.065 > 6 42 S 0.95851551283084 0.31250000000000 0.37517375305330 32.065 > 6 43 S 0.95851551283084 0.56250000000000 0.37517375305330 32.065 > 6 44 S 0.95851551283084 0.81250000000000 0.37517375305330 32.065 > 6 45 S 0.95851551283084 0.06250000000000 0.87517375305330 32.065 > 6 46 S 0.95851551283084 0.31250000000000 0.87517375305330 32.065 > 6 47 S 0.95851551283084 0.56250000000000 0.87517375305330 32.065 > 6 48 S 0.95851551283084 0.81250000000000 0.87517375305330 32.065 > 6 49 S 0.04148448716916 0.18750000000000 0.12482624694670 32.065 > 7 50 S 0.04148448716916 0.43750000000000 0.12482624694670 32.065 > 7 51 S 0.04148448716916 0.68750000000000 0.12482624694670 32.065 > 7 52 S 0.04148448716916 0.93750000000000 0.12482624694670 32.065 > 7 53 S 0.04148448716916 0.18750000000000 0.62482624694670 32.065 > 7 54 S 0.04148448716916 0.43750000000000 0.62482624694670 32.065 > 7 55 S 0.04148448716916 0.68750000000000 0.62482624694670 32.065 > 7 56 S 0.04148448716916 0.93750000000000 0.62482624694670 32.065 > 7 57 S 0.54148448716916 0.18750000000000 0.12517375305330 32.065 > 8 58 S 0.54148448716916 0.43750000000000 0.12517375305330 32.065 > 8 59 S 0.54148448716916 0.68750000000000 0.12517375305330 32.065 > 8 60 S 0.54148448716916 0.93750000000000 0.12517375305330 32.065 > 8 61 S 0.54148448716916 0.18750000000000 0.62517375305330 32.065 > 8 62 S 0.54148448716916 0.43750000000000 0.62517375305330 32.065 > 8 63 S 0.54148448716916 0.68750000000000 0.62517375305330 32.065 > 8 64 S 0.54148448716916 0.93750000000000 0.62517375305330 32.065 > 8 *65 Cu 0.45856134224041 0.06250000000000 0.06450648612279 63.546 > 9 66 Cu 0.45856134224041 0.31250000000000 0.06450648612279 63.546 > 9 67 Cu 0.45856134224041 0.56250000000000 0.06450648612279 63.546 > 9 68 Cu 0.45856134224041 0.81250000000000 0.06450648612279 63.546 > 9 69 Cu 0.45856134224041 0.06250000000000 0.56450648612279 63.546 > 9 70 Cu 0.45856134224041 0.31250000000000 0.56450648612279 63.546 > 9 71 Cu 0.45856134224041 0.56250000000000 0.56450648612279 63.546 > 9 72 Cu 0.45856134224041 0.81250000000000 0.56450648612279 63.546 > 9 73 Cu 0.04143865775959 0.18750000000000 0.31450648612279 63.546 > 10 74 Cu 0.04143865775959 0.43750000000000 0.31450648612279 63.546 > 10 75 Cu 0.04143865775959 0.68750000000000 0.31450648612279 63.546 > 10 76 Cu 0.04143865775959 0.93750000000000 0.31450648612279 63.546 > 10 77 Cu 0.04143865775959 0.18750000000000 0.81450648612279 63.546 > 10 78 Cu 0.04143865775959 0.43750000000000 0.81450648612279 63.546 > 10 79 Cu 0.04143865775959 0.68750000000000 0.81450648612279 63.546 > 10 80 Cu 0.04143865775959 0.93750000000000 0.81450648612279 63.546 > 10 81 Cu 0.54143865775959 0.18750000000000 0.43549351387721 63.546 > 11 82 Cu 0.54143865775959 0.43750000000000 0.43549351387721 63.546 > 11 83 Cu 0.54143865775959 0.68750000000000 0.43549351387721 63.546 > 11 84 Cu 0.54143865775959 0.93750000000000 0.43549351387721 63.546 > 11 85 Cu 0.54143865775959 0.18750000000000 0.93549351387721 63.546 > 11 86 Cu 0.54143865775959 0.43750000000000 0.93549351387721 63.546 > 11 87 Cu 0.54143865775959 0.68750000000000 0.93549351387721 63.546 > 11 88 Cu 0.54143865775959 0.93750000000000 0.93549351387721 63.546 > 11 89 Cu 0.95856134224041 0.06250000000000 0.18549351387721 63.546 > 12 90 Cu 0.95856134224041 0.31250000000000 0.18549351387721 63.546 > 12 91 Cu 0.95856134224041 0.56250000000000 0.18549351387721 63.546 > 12 92 Cu 0.95856134224041 0.81250000000000 0.18549351387721 63.546 > 12 93 Cu 0.95856134224041 0.06250000000000 0.68549351387721 63.546 > 12 94 Cu 0.95856134224041 0.31250000000000 0.68549351387721 63.546 > 12 95 Cu 0.95856134224041 0.56250000000000 0.68549351387721 63.546 > 12 96 Cu 0.95856134224041 0.81250000000000 0.68549351387721 63.546 > 12 *97 Y 0.63276298417561 0.06250000000000 0.25136239550355 88.906 > 13 98 Y 0.63276298417561 0.31250000000000 0.25136239550355 88.906 > 13 99 Y 0.63276298417561 0.56250000000000 0.25136239550355 88.906 > 13 100 Y 0.63276298417561 0.81250000000000 0.25136239550355 88.906 > 13 101 Y 0.63276298417561 0.06250000000000 0.75136239550355 88.906 > 13 102 Y 0.63276298417561 0.31250000000000 0.75136239550355 88.906 > 13 103 Y 0.63276298417561 0.56250000000000 0.75136239550355 88.906 > 13 104 Y 0.63276298417561 0.81250000000000 0.75136239550355 88.906 > 13 105 Y 0.36723701582439 0.18750000000000 0.24863760449645 88.906 > 14 106 Y 0.36723701582439 0.43750000000000 0.24863760449645 88.906 > 14 107 Y 0.36723701582439 0.68750000000000 0.24863760449645 88.906 > 14 108 Y 0.36723701582439 0.93750000000000 0.24863760449645 88.906 > 14 109 Y 0.36723701582439 0.18750000000000 0.74863760449645 88.906 > 14 110 Y 0.36723701582439 0.43750000000000 0.74863760449645 88.906 > 14 111 Y 0.36723701582439 0.68750000000000 0.74863760449645 88.906 > 14 112 Y 0.36723701582439 0.93750000000000 0.74863760449645 88.906 > 14 113 Y 0.86723701582439 0.18750000000000 0.00136239550355 88.906 > 15 114 Y 0.86723701582439 0.43750000000000 0.00136239550355 88.906 > 15 115 Y 0.86723701582439 0.68750000000000 0.00136239550355 88.906 > 15 116 Y 0.86723701582439 0.93750000000000 0.00136239550355 88.906 > 15 117 Y 0.86723701582439 0.18750000000000 0.50136239550355 88.906 > 15 118 Y 0.86723701582439 0.43750000000000 0.50136239550355 88.906 > 15 119 Y 0.86723701582439 0.68750000000000 0.50136239550355 88.906 > 15 120 Y 0.86723701582439 0.93750000000000 0.50136239550355 88.906 > 15 121 Y 0.13276298417561 0.06250000000000 0.49863760449645 88.906 > 16 122 Y 0.13276298417561 0.31250000000000 0.49863760449645 88.906 > 16 123 Y 0.13276298417561 0.56250000000000 0.49863760449645 88.906 > 16 124 Y 0.13276298417561 0.81250000000000 0.49863760449645 88.906 > 16 125 Y 0.13276298417561 0.06250000000000 0.99863760449645 88.906 > 16 126 Y 0.13276298417561 0.31250000000000 0.99863760449645 88.906 > 16 127 Y 0.13276298417561 0.56250000000000 0.99863760449645 88.906 > 16 128 Y 0.13276298417561 0.81250000000000 0.99863760449645 88.906 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5606610 0.0000000 0.0000000 0.0000000 9.5352900 0.0000000 0.0000000 0.0000000 8.9053942 -------------------------- Born effective charges -------------------------- 1 S -2.6183644 0.0000000 -1.0956800 0.0000000 -2.5743608 0.0000000 -1.0179940 0.0000000 -2.3472602 2 S -2.6183644 0.0000000 -1.0956800 0.0000000 -2.5743608 0.0000000 -1.0179940 0.0000000 -2.3472602 3 S -2.6183644 0.0000000 1.0956800 0.0000000 -2.5743608 0.0000000 1.0179940 0.0000000 -2.3472602 4 S -2.6183644 0.0000000 1.0956800 0.0000000 -2.5743608 0.0000000 1.0179940 0.0000000 -2.3472602 5 S -1.9372465 0.0000000 -0.2869589 0.0000000 -2.8946835 0.0000000 -0.0771677 0.0000000 -2.2706732 6 S -1.9372465 0.0000000 0.2869589 0.0000000 -2.8946835 0.0000000 0.0771677 0.0000000 -2.2706732 7 S -1.9372465 0.0000000 0.2869589 0.0000000 -2.8946835 0.0000000 0.0771677 0.0000000 -2.2706732 8 S -1.9372465 0.0000000 -0.2869589 0.0000000 -2.8946835 0.0000000 -0.0771677 0.0000000 -2.2706732 9 Cu 0.4951010 0.0000000 -0.0470784 0.0000000 0.8256446 0.0000000 -0.1193446 0.0000000 0.6601129 10 Cu 0.4951010 0.0000000 0.0470784 0.0000000 0.8256446 0.0000000 0.1193446 0.0000000 0.6601129 11 Cu 0.4951010 0.0000000 -0.0470784 0.0000000 0.8256446 0.0000000 -0.1193446 0.0000000 0.6601129 12 Cu 0.4951010 0.0000000 0.0470784 0.0000000 0.8256446 0.0000000 0.1193446 0.0000000 0.6601129 13 Y 4.0605099 0.0000000 -0.2344542 0.0000000 4.6433997 0.0000000 -0.3958741 0.0000000 3.9578205 14 Y 4.0605099 0.0000000 -0.2344542 0.0000000 4.6433997 0.0000000 -0.3958741 0.0000000 3.9578205 15 Y 4.0605099 0.0000000 0.2344542 0.0000000 4.6433997 0.0000000 0.3958741 0.0000000 3.9578205 16 Y 4.0605099 0.0000000 0.2344542 0.0000000 4.6433997 0.0000000 0.3958741 0.0000000 3.9578205 ---------------------------------------------------------------------------- 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: 1.758 Solver_block: 200 / 240 - Time: 1.779 Solver_block: 240 / 240 - Time: 0.784 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.349 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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 2026-01-07 23:43:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:43:50]------------------------- 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 13.266047120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.892161780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.164588180000000 Atomic positions (fractional): 1 S 0.29707720670958 0.25000000000000 0.25214420190038 32.065 2 S 0.70292279329041 0.75000000000000 0.74785579809962 32.065 3 S 0.20292279329041 0.75000000000000 0.75214420190038 32.065 4 S 0.79707720670959 0.25000000000000 0.24785579809962 32.065 5 S 0.45851551283084 0.25000000000000 0.74965249389340 32.065 6 S 0.95851551283084 0.25000000000000 0.75034750610660 32.065 7 S 0.04148448716916 0.75000000000000 0.24965249389340 32.065 8 S 0.54148448716916 0.75000000000000 0.25034750610660 32.065 9 Cu 0.45856134224041 0.25000000000000 0.12901297224558 63.546 10 Cu 0.04143865775959 0.75000000000000 0.62901297224558 63.546 11 Cu 0.54143865775959 0.75000000000000 0.87098702775442 63.546 12 Cu 0.95856134224041 0.25000000000000 0.37098702775442 63.546 13 Y 0.63276298417561 0.25000000000000 0.50272479100709 88.906 14 Y 0.36723701582439 0.75000000000000 0.49727520899291 88.906 15 Y 0.86723701582439 0.75000000000000 0.00272479100709 88.906 16 Y 0.13276298417561 0.25000000000000 0.99727520899291 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.266047120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.568647120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.329176360000000 Atomic positions (fractional): 1 S 0.29707720670958 0.06250000000000 0.12607210095019 32.065 > 1 2 S 0.29707720670958 0.31250000000000 0.12607210095019 32.065 > 1 3 S 0.29707720670958 0.56250000000000 0.12607210095019 32.065 > 1 4 S 0.29707720670958 0.81250000000000 0.12607210095019 32.065 > 1 5 S 0.29707720670958 0.06250000000000 0.62607210095019 32.065 > 1 6 S 0.29707720670958 0.31250000000000 0.62607210095019 32.065 > 1 7 S 0.29707720670958 0.56250000000000 0.62607210095019 32.065 > 1 8 S 0.29707720670958 0.81250000000000 0.62607210095019 32.065 > 1 9 S 0.70292279329041 0.18750000000000 0.37392789904981 32.065 > 9 10 S 0.70292279329041 0.43750000000000 0.37392789904981 32.065 > 9 11 S 0.70292279329041 0.68750000000000 0.37392789904981 32.065 > 9 12 S 0.70292279329041 0.93750000000000 0.37392789904981 32.065 > 9 13 S 0.70292279329041 0.18750000000000 0.87392789904981 32.065 > 9 14 S 0.70292279329041 0.43750000000000 0.87392789904981 32.065 > 9 15 S 0.70292279329041 0.68750000000000 0.87392789904981 32.065 > 9 16 S 0.70292279329041 0.93750000000000 0.87392789904981 32.065 > 9 17 S 0.20292279329041 0.18750000000000 0.37607210095019 32.065 > 17 18 S 0.20292279329041 0.43750000000000 0.37607210095019 32.065 > 17 19 S 0.20292279329041 0.68750000000000 0.37607210095019 32.065 > 17 20 S 0.20292279329041 0.93750000000000 0.37607210095019 32.065 > 17 21 S 0.20292279329041 0.18750000000000 0.87607210095019 32.065 > 17 22 S 0.20292279329041 0.43750000000000 0.87607210095019 32.065 > 17 23 S 0.20292279329041 0.68750000000000 0.87607210095019 32.065 > 17 24 S 0.20292279329041 0.93750000000000 0.87607210095019 32.065 > 17 25 S 0.79707720670959 0.06250000000000 0.12392789904981 32.065 > 25 26 S 0.79707720670959 0.31250000000000 0.12392789904981 32.065 > 25 27 S 0.79707720670959 0.56250000000000 0.12392789904981 32.065 > 25 28 S 0.79707720670959 0.81250000000000 0.12392789904981 32.065 > 25 29 S 0.79707720670959 0.06250000000000 0.62392789904981 32.065 > 25 30 S 0.79707720670959 0.31250000000000 0.62392789904981 32.065 > 25 31 S 0.79707720670959 0.56250000000000 0.62392789904981 32.065 > 25 32 S 0.79707720670959 0.81250000000000 0.62392789904981 32.065 > 25 33 S 0.45851551283084 0.06250000000000 0.37482624694670 32.065 > 33 34 S 0.45851551283084 0.31250000000000 0.37482624694670 32.065 > 33 35 S 0.45851551283084 0.56250000000000 0.37482624694670 32.065 > 33 36 S 0.45851551283084 0.81250000000000 0.37482624694670 32.065 > 33 37 S 0.45851551283084 0.06250000000000 0.87482624694670 32.065 > 33 38 S 0.45851551283084 0.31250000000000 0.87482624694670 32.065 > 33 39 S 0.45851551283084 0.56250000000000 0.87482624694670 32.065 > 33 40 S 0.45851551283084 0.81250000000000 0.87482624694670 32.065 > 33 41 S 0.95851551283084 0.06250000000000 0.37517375305330 32.065 > 41 42 S 0.95851551283084 0.31250000000000 0.37517375305330 32.065 > 41 43 S 0.95851551283084 0.56250000000000 0.37517375305330 32.065 > 41 44 S 0.95851551283084 0.81250000000000 0.37517375305330 32.065 > 41 45 S 0.95851551283084 0.06250000000000 0.87517375305330 32.065 > 41 46 S 0.95851551283084 0.31250000000000 0.87517375305330 32.065 > 41 47 S 0.95851551283084 0.56250000000000 0.87517375305330 32.065 > 41 48 S 0.95851551283084 0.81250000000000 0.87517375305330 32.065 > 41 49 S 0.04148448716916 0.18750000000000 0.12482624694670 32.065 > 49 50 S 0.04148448716916 0.43750000000000 0.12482624694670 32.065 > 49 51 S 0.04148448716916 0.68750000000000 0.12482624694670 32.065 > 49 52 S 0.04148448716916 0.93750000000000 0.12482624694670 32.065 > 49 53 S 0.04148448716916 0.18750000000000 0.62482624694670 32.065 > 49 54 S 0.04148448716916 0.43750000000000 0.62482624694670 32.065 > 49 55 S 0.04148448716916 0.68750000000000 0.62482624694670 32.065 > 49 56 S 0.04148448716916 0.93750000000000 0.62482624694670 32.065 > 49 57 S 0.54148448716916 0.18750000000000 0.12517375305330 32.065 > 57 58 S 0.54148448716916 0.43750000000000 0.12517375305330 32.065 > 57 59 S 0.54148448716916 0.68750000000000 0.12517375305330 32.065 > 57 60 S 0.54148448716916 0.93750000000000 0.12517375305330 32.065 > 57 61 S 0.54148448716916 0.18750000000000 0.62517375305330 32.065 > 57 62 S 0.54148448716916 0.43750000000000 0.62517375305330 32.065 > 57 63 S 0.54148448716916 0.68750000000000 0.62517375305330 32.065 > 57 64 S 0.54148448716916 0.93750000000000 0.62517375305330 32.065 > 57 65 Cu 0.45856134224041 0.06250000000000 0.06450648612279 63.546 > 65 66 Cu 0.45856134224041 0.31250000000000 0.06450648612279 63.546 > 65 67 Cu 0.45856134224041 0.56250000000000 0.06450648612279 63.546 > 65 68 Cu 0.45856134224041 0.81250000000000 0.06450648612279 63.546 > 65 69 Cu 0.45856134224041 0.06250000000000 0.56450648612279 63.546 > 65 70 Cu 0.45856134224041 0.31250000000000 0.56450648612279 63.546 > 65 71 Cu 0.45856134224041 0.56250000000000 0.56450648612279 63.546 > 65 72 Cu 0.45856134224041 0.81250000000000 0.56450648612279 63.546 > 65 73 Cu 0.04143865775959 0.18750000000000 0.31450648612279 63.546 > 73 74 Cu 0.04143865775959 0.43750000000000 0.31450648612279 63.546 > 73 75 Cu 0.04143865775959 0.68750000000000 0.31450648612279 63.546 > 73 76 Cu 0.04143865775959 0.93750000000000 0.31450648612279 63.546 > 73 77 Cu 0.04143865775959 0.18750000000000 0.81450648612279 63.546 > 73 78 Cu 0.04143865775959 0.43750000000000 0.81450648612279 63.546 > 73 79 Cu 0.04143865775959 0.68750000000000 0.81450648612279 63.546 > 73 80 Cu 0.04143865775959 0.93750000000000 0.81450648612279 63.546 > 73 81 Cu 0.54143865775959 0.18750000000000 0.43549351387721 63.546 > 81 82 Cu 0.54143865775959 0.43750000000000 0.43549351387721 63.546 > 81 83 Cu 0.54143865775959 0.68750000000000 0.43549351387721 63.546 > 81 84 Cu 0.54143865775959 0.93750000000000 0.43549351387721 63.546 > 81 85 Cu 0.54143865775959 0.18750000000000 0.93549351387721 63.546 > 81 86 Cu 0.54143865775959 0.43750000000000 0.93549351387721 63.546 > 81 87 Cu 0.54143865775959 0.68750000000000 0.93549351387721 63.546 > 81 88 Cu 0.54143865775959 0.93750000000000 0.93549351387721 63.546 > 81 89 Cu 0.95856134224041 0.06250000000000 0.18549351387721 63.546 > 89 90 Cu 0.95856134224041 0.31250000000000 0.18549351387721 63.546 > 89 91 Cu 0.95856134224041 0.56250000000000 0.18549351387721 63.546 > 89 92 Cu 0.95856134224041 0.81250000000000 0.18549351387721 63.546 > 89 93 Cu 0.95856134224041 0.06250000000000 0.68549351387721 63.546 > 89 94 Cu 0.95856134224041 0.31250000000000 0.68549351387721 63.546 > 89 95 Cu 0.95856134224041 0.56250000000000 0.68549351387721 63.546 > 89 96 Cu 0.95856134224041 0.81250000000000 0.68549351387721 63.546 > 89 97 Y 0.63276298417561 0.06250000000000 0.25136239550355 88.906 > 97 98 Y 0.63276298417561 0.31250000000000 0.25136239550355 88.906 > 97 99 Y 0.63276298417561 0.56250000000000 0.25136239550355 88.906 > 97 100 Y 0.63276298417561 0.81250000000000 0.25136239550355 88.906 > 97 101 Y 0.63276298417561 0.06250000000000 0.75136239550355 88.906 > 97 102 Y 0.63276298417561 0.31250000000000 0.75136239550355 88.906 > 97 103 Y 0.63276298417561 0.56250000000000 0.75136239550355 88.906 > 97 104 Y 0.63276298417561 0.81250000000000 0.75136239550355 88.906 > 97 105 Y 0.36723701582439 0.18750000000000 0.24863760449645 88.906 > 105 106 Y 0.36723701582439 0.43750000000000 0.24863760449645 88.906 > 105 107 Y 0.36723701582439 0.68750000000000 0.24863760449645 88.906 > 105 108 Y 0.36723701582439 0.93750000000000 0.24863760449645 88.906 > 105 109 Y 0.36723701582439 0.18750000000000 0.74863760449645 88.906 > 105 110 Y 0.36723701582439 0.43750000000000 0.74863760449645 88.906 > 105 111 Y 0.36723701582439 0.68750000000000 0.74863760449645 88.906 > 105 112 Y 0.36723701582439 0.93750000000000 0.74863760449645 88.906 > 105 113 Y 0.86723701582439 0.18750000000000 0.00136239550355 88.906 > 113 114 Y 0.86723701582439 0.43750000000000 0.00136239550355 88.906 > 113 115 Y 0.86723701582439 0.68750000000000 0.00136239550355 88.906 > 113 116 Y 0.86723701582439 0.93750000000000 0.00136239550355 88.906 > 113 117 Y 0.86723701582439 0.18750000000000 0.50136239550355 88.906 > 113 118 Y 0.86723701582439 0.43750000000000 0.50136239550355 88.906 > 113 119 Y 0.86723701582439 0.68750000000000 0.50136239550355 88.906 > 113 120 Y 0.86723701582439 0.93750000000000 0.50136239550355 88.906 > 113 121 Y 0.13276298417561 0.06250000000000 0.49863760449645 88.906 > 121 122 Y 0.13276298417561 0.31250000000000 0.49863760449645 88.906 > 121 123 Y 0.13276298417561 0.56250000000000 0.49863760449645 88.906 > 121 124 Y 0.13276298417561 0.81250000000000 0.49863760449645 88.906 > 121 125 Y 0.13276298417561 0.06250000000000 0.99863760449645 88.906 > 121 126 Y 0.13276298417561 0.31250000000000 0.99863760449645 88.906 > 121 127 Y 0.13276298417561 0.56250000000000 0.99863760449645 88.906 > 121 128 Y 0.13276298417561 0.81250000000000 0.99863760449645 88.906 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5606610 0.0000000 0.0000000 0.0000000 9.5352900 0.0000000 0.0000000 0.0000000 8.9053942 -------------------------- Born effective charges -------------------------- 1 S -2.6183644 0.0000000 -1.0956800 0.0000000 -2.5743608 0.0000000 -1.0179940 0.0000000 -2.3472602 2 S -2.6183644 0.0000000 -1.0956800 0.0000000 -2.5743608 0.0000000 -1.0179940 0.0000000 -2.3472602 3 S -2.6183644 0.0000000 1.0956800 0.0000000 -2.5743608 0.0000000 1.0179940 0.0000000 -2.3472602 4 S -2.6183644 0.0000000 1.0956800 0.0000000 -2.5743608 0.0000000 1.0179940 0.0000000 -2.3472602 5 S -1.9372465 0.0000000 -0.2869589 0.0000000 -2.8946835 0.0000000 -0.0771677 0.0000000 -2.2706732 6 S -1.9372465 0.0000000 0.2869589 0.0000000 -2.8946835 0.0000000 0.0771677 0.0000000 -2.2706732 7 S -1.9372465 0.0000000 0.2869589 0.0000000 -2.8946835 0.0000000 0.0771677 0.0000000 -2.2706732 8 S -1.9372465 0.0000000 -0.2869589 0.0000000 -2.8946835 0.0000000 -0.0771677 0.0000000 -2.2706732 9 Cu 0.4951010 0.0000000 -0.0470784 0.0000000 0.8256446 0.0000000 -0.1193446 0.0000000 0.6601129 10 Cu 0.4951010 0.0000000 0.0470784 0.0000000 0.8256446 0.0000000 0.1193446 0.0000000 0.6601129 11 Cu 0.4951010 0.0000000 -0.0470784 0.0000000 0.8256446 0.0000000 -0.1193446 0.0000000 0.6601129 12 Cu 0.4951010 0.0000000 0.0470784 0.0000000 0.8256446 0.0000000 0.1193446 0.0000000 0.6601129 13 Y 4.0605099 0.0000000 -0.2344542 0.0000000 4.6433997 0.0000000 -0.3958741 0.0000000 3.9578205 14 Y 4.0605099 0.0000000 -0.2344542 0.0000000 4.6433997 0.0000000 -0.3958741 0.0000000 3.9578205 15 Y 4.0605099 0.0000000 0.2344542 0.0000000 4.6433997 0.0000000 0.3958741 0.0000000 3.9578205 16 Y 4.0605099 0.0000000 0.2344542 0.0000000 4.6433997 0.0000000 0.3958741 0.0000000 3.9578205 ---------------------------------------------------------------------------- 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 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:44:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:44:07]------------------------- 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 13.266047120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.892161780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.164588180000000 Atomic positions (fractional): 1 S 0.29707720670958 0.25000000000000 0.25214420190038 32.065 2 S 0.70292279329041 0.75000000000000 0.74785579809962 32.065 3 S 0.20292279329041 0.75000000000000 0.75214420190038 32.065 4 S 0.79707720670959 0.25000000000000 0.24785579809962 32.065 5 S 0.45851551283084 0.25000000000000 0.74965249389340 32.065 6 S 0.95851551283084 0.25000000000000 0.75034750610660 32.065 7 S 0.04148448716916 0.75000000000000 0.24965249389340 32.065 8 S 0.54148448716916 0.75000000000000 0.25034750610660 32.065 9 Cu 0.45856134224041 0.25000000000000 0.12901297224558 63.546 10 Cu 0.04143865775959 0.75000000000000 0.62901297224558 63.546 11 Cu 0.54143865775959 0.75000000000000 0.87098702775442 63.546 12 Cu 0.95856134224041 0.25000000000000 0.37098702775442 63.546 13 Y 0.63276298417561 0.25000000000000 0.50272479100709 88.906 14 Y 0.36723701582439 0.75000000000000 0.49727520899291 88.906 15 Y 0.86723701582439 0.75000000000000 0.00272479100709 88.906 16 Y 0.13276298417561 0.25000000000000 0.99727520899291 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.266047120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.568647120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.329176360000000 Atomic positions (fractional): 1 S 0.29707720670958 0.06250000000000 0.12607210095019 32.065 > 1 2 S 0.29707720670958 0.31250000000000 0.12607210095019 32.065 > 1 3 S 0.29707720670958 0.56250000000000 0.12607210095019 32.065 > 1 4 S 0.29707720670958 0.81250000000000 0.12607210095019 32.065 > 1 5 S 0.29707720670958 0.06250000000000 0.62607210095019 32.065 > 1 6 S 0.29707720670958 0.31250000000000 0.62607210095019 32.065 > 1 7 S 0.29707720670958 0.56250000000000 0.62607210095019 32.065 > 1 8 S 0.29707720670958 0.81250000000000 0.62607210095019 32.065 > 1 9 S 0.70292279329041 0.18750000000000 0.37392789904981 32.065 > 9 10 S 0.70292279329041 0.43750000000000 0.37392789904981 32.065 > 9 11 S 0.70292279329041 0.68750000000000 0.37392789904981 32.065 > 9 12 S 0.70292279329041 0.93750000000000 0.37392789904981 32.065 > 9 13 S 0.70292279329041 0.18750000000000 0.87392789904981 32.065 > 9 14 S 0.70292279329041 0.43750000000000 0.87392789904981 32.065 > 9 15 S 0.70292279329041 0.68750000000000 0.87392789904981 32.065 > 9 16 S 0.70292279329041 0.93750000000000 0.87392789904981 32.065 > 9 17 S 0.20292279329041 0.18750000000000 0.37607210095019 32.065 > 17 18 S 0.20292279329041 0.43750000000000 0.37607210095019 32.065 > 17 19 S 0.20292279329041 0.68750000000000 0.37607210095019 32.065 > 17 20 S 0.20292279329041 0.93750000000000 0.37607210095019 32.065 > 17 21 S 0.20292279329041 0.18750000000000 0.87607210095019 32.065 > 17 22 S 0.20292279329041 0.43750000000000 0.87607210095019 32.065 > 17 23 S 0.20292279329041 0.68750000000000 0.87607210095019 32.065 > 17 24 S 0.20292279329041 0.93750000000000 0.87607210095019 32.065 > 17 25 S 0.79707720670959 0.06250000000000 0.12392789904981 32.065 > 25 26 S 0.79707720670959 0.31250000000000 0.12392789904981 32.065 > 25 27 S 0.79707720670959 0.56250000000000 0.12392789904981 32.065 > 25 28 S 0.79707720670959 0.81250000000000 0.12392789904981 32.065 > 25 29 S 0.79707720670959 0.06250000000000 0.62392789904981 32.065 > 25 30 S 0.79707720670959 0.31250000000000 0.62392789904981 32.065 > 25 31 S 0.79707720670959 0.56250000000000 0.62392789904981 32.065 > 25 32 S 0.79707720670959 0.81250000000000 0.62392789904981 32.065 > 25 33 S 0.45851551283084 0.06250000000000 0.37482624694670 32.065 > 33 34 S 0.45851551283084 0.31250000000000 0.37482624694670 32.065 > 33 35 S 0.45851551283084 0.56250000000000 0.37482624694670 32.065 > 33 36 S 0.45851551283084 0.81250000000000 0.37482624694670 32.065 > 33 37 S 0.45851551283084 0.06250000000000 0.87482624694670 32.065 > 33 38 S 0.45851551283084 0.31250000000000 0.87482624694670 32.065 > 33 39 S 0.45851551283084 0.56250000000000 0.87482624694670 32.065 > 33 40 S 0.45851551283084 0.81250000000000 0.87482624694670 32.065 > 33 41 S 0.95851551283084 0.06250000000000 0.37517375305330 32.065 > 41 42 S 0.95851551283084 0.31250000000000 0.37517375305330 32.065 > 41 43 S 0.95851551283084 0.56250000000000 0.37517375305330 32.065 > 41 44 S 0.95851551283084 0.81250000000000 0.37517375305330 32.065 > 41 45 S 0.95851551283084 0.06250000000000 0.87517375305330 32.065 > 41 46 S 0.95851551283084 0.31250000000000 0.87517375305330 32.065 > 41 47 S 0.95851551283084 0.56250000000000 0.87517375305330 32.065 > 41 48 S 0.95851551283084 0.81250000000000 0.87517375305330 32.065 > 41 49 S 0.04148448716916 0.18750000000000 0.12482624694670 32.065 > 49 50 S 0.04148448716916 0.43750000000000 0.12482624694670 32.065 > 49 51 S 0.04148448716916 0.68750000000000 0.12482624694670 32.065 > 49 52 S 0.04148448716916 0.93750000000000 0.12482624694670 32.065 > 49 53 S 0.04148448716916 0.18750000000000 0.62482624694670 32.065 > 49 54 S 0.04148448716916 0.43750000000000 0.62482624694670 32.065 > 49 55 S 0.04148448716916 0.68750000000000 0.62482624694670 32.065 > 49 56 S 0.04148448716916 0.93750000000000 0.62482624694670 32.065 > 49 57 S 0.54148448716916 0.18750000000000 0.12517375305330 32.065 > 57 58 S 0.54148448716916 0.43750000000000 0.12517375305330 32.065 > 57 59 S 0.54148448716916 0.68750000000000 0.12517375305330 32.065 > 57 60 S 0.54148448716916 0.93750000000000 0.12517375305330 32.065 > 57 61 S 0.54148448716916 0.18750000000000 0.62517375305330 32.065 > 57 62 S 0.54148448716916 0.43750000000000 0.62517375305330 32.065 > 57 63 S 0.54148448716916 0.68750000000000 0.62517375305330 32.065 > 57 64 S 0.54148448716916 0.93750000000000 0.62517375305330 32.065 > 57 65 Cu 0.45856134224041 0.06250000000000 0.06450648612279 63.546 > 65 66 Cu 0.45856134224041 0.31250000000000 0.06450648612279 63.546 > 65 67 Cu 0.45856134224041 0.56250000000000 0.06450648612279 63.546 > 65 68 Cu 0.45856134224041 0.81250000000000 0.06450648612279 63.546 > 65 69 Cu 0.45856134224041 0.06250000000000 0.56450648612279 63.546 > 65 70 Cu 0.45856134224041 0.31250000000000 0.56450648612279 63.546 > 65 71 Cu 0.45856134224041 0.56250000000000 0.56450648612279 63.546 > 65 72 Cu 0.45856134224041 0.81250000000000 0.56450648612279 63.546 > 65 73 Cu 0.04143865775959 0.18750000000000 0.31450648612279 63.546 > 73 74 Cu 0.04143865775959 0.43750000000000 0.31450648612279 63.546 > 73 75 Cu 0.04143865775959 0.68750000000000 0.31450648612279 63.546 > 73 76 Cu 0.04143865775959 0.93750000000000 0.31450648612279 63.546 > 73 77 Cu 0.04143865775959 0.18750000000000 0.81450648612279 63.546 > 73 78 Cu 0.04143865775959 0.43750000000000 0.81450648612279 63.546 > 73 79 Cu 0.04143865775959 0.68750000000000 0.81450648612279 63.546 > 73 80 Cu 0.04143865775959 0.93750000000000 0.81450648612279 63.546 > 73 81 Cu 0.54143865775959 0.18750000000000 0.43549351387721 63.546 > 81 82 Cu 0.54143865775959 0.43750000000000 0.43549351387721 63.546 > 81 83 Cu 0.54143865775959 0.68750000000000 0.43549351387721 63.546 > 81 84 Cu 0.54143865775959 0.93750000000000 0.43549351387721 63.546 > 81 85 Cu 0.54143865775959 0.18750000000000 0.93549351387721 63.546 > 81 86 Cu 0.54143865775959 0.43750000000000 0.93549351387721 63.546 > 81 87 Cu 0.54143865775959 0.68750000000000 0.93549351387721 63.546 > 81 88 Cu 0.54143865775959 0.93750000000000 0.93549351387721 63.546 > 81 89 Cu 0.95856134224041 0.06250000000000 0.18549351387721 63.546 > 89 90 Cu 0.95856134224041 0.31250000000000 0.18549351387721 63.546 > 89 91 Cu 0.95856134224041 0.56250000000000 0.18549351387721 63.546 > 89 92 Cu 0.95856134224041 0.81250000000000 0.18549351387721 63.546 > 89 93 Cu 0.95856134224041 0.06250000000000 0.68549351387721 63.546 > 89 94 Cu 0.95856134224041 0.31250000000000 0.68549351387721 63.546 > 89 95 Cu 0.95856134224041 0.56250000000000 0.68549351387721 63.546 > 89 96 Cu 0.95856134224041 0.81250000000000 0.68549351387721 63.546 > 89 97 Y 0.63276298417561 0.06250000000000 0.25136239550355 88.906 > 97 98 Y 0.63276298417561 0.31250000000000 0.25136239550355 88.906 > 97 99 Y 0.63276298417561 0.56250000000000 0.25136239550355 88.906 > 97 100 Y 0.63276298417561 0.81250000000000 0.25136239550355 88.906 > 97 101 Y 0.63276298417561 0.06250000000000 0.75136239550355 88.906 > 97 102 Y 0.63276298417561 0.31250000000000 0.75136239550355 88.906 > 97 103 Y 0.63276298417561 0.56250000000000 0.75136239550355 88.906 > 97 104 Y 0.63276298417561 0.81250000000000 0.75136239550355 88.906 > 97 105 Y 0.36723701582439 0.18750000000000 0.24863760449645 88.906 > 105 106 Y 0.36723701582439 0.43750000000000 0.24863760449645 88.906 > 105 107 Y 0.36723701582439 0.68750000000000 0.24863760449645 88.906 > 105 108 Y 0.36723701582439 0.93750000000000 0.24863760449645 88.906 > 105 109 Y 0.36723701582439 0.18750000000000 0.74863760449645 88.906 > 105 110 Y 0.36723701582439 0.43750000000000 0.74863760449645 88.906 > 105 111 Y 0.36723701582439 0.68750000000000 0.74863760449645 88.906 > 105 112 Y 0.36723701582439 0.93750000000000 0.74863760449645 88.906 > 105 113 Y 0.86723701582439 0.18750000000000 0.00136239550355 88.906 > 113 114 Y 0.86723701582439 0.43750000000000 0.00136239550355 88.906 > 113 115 Y 0.86723701582439 0.68750000000000 0.00136239550355 88.906 > 113 116 Y 0.86723701582439 0.93750000000000 0.00136239550355 88.906 > 113 117 Y 0.86723701582439 0.18750000000000 0.50136239550355 88.906 > 113 118 Y 0.86723701582439 0.43750000000000 0.50136239550355 88.906 > 113 119 Y 0.86723701582439 0.68750000000000 0.50136239550355 88.906 > 113 120 Y 0.86723701582439 0.93750000000000 0.50136239550355 88.906 > 113 121 Y 0.13276298417561 0.06250000000000 0.49863760449645 88.906 > 121 122 Y 0.13276298417561 0.31250000000000 0.49863760449645 88.906 > 121 123 Y 0.13276298417561 0.56250000000000 0.49863760449645 88.906 > 121 124 Y 0.13276298417561 0.81250000000000 0.49863760449645 88.906 > 121 125 Y 0.13276298417561 0.06250000000000 0.99863760449645 88.906 > 121 126 Y 0.13276298417561 0.31250000000000 0.99863760449645 88.906 > 121 127 Y 0.13276298417561 0.56250000000000 0.99863760449645 88.906 > 121 128 Y 0.13276298417561 0.81250000000000 0.99863760449645 88.906 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.5606610 0.0000000 0.0000000 0.0000000 9.5352900 0.0000000 0.0000000 0.0000000 8.9053942 -------------------------- Born effective charges -------------------------- 1 S -2.6183644 0.0000000 -1.0956800 0.0000000 -2.5743608 0.0000000 -1.0179940 0.0000000 -2.3472602 2 S -2.6183644 0.0000000 -1.0956800 0.0000000 -2.5743608 0.0000000 -1.0179940 0.0000000 -2.3472602 3 S -2.6183644 0.0000000 1.0956800 0.0000000 -2.5743608 0.0000000 1.0179940 0.0000000 -2.3472602 4 S -2.6183644 0.0000000 1.0956800 0.0000000 -2.5743608 0.0000000 1.0179940 0.0000000 -2.3472602 5 S -1.9372465 0.0000000 -0.2869589 0.0000000 -2.8946835 0.0000000 -0.0771677 0.0000000 -2.2706732 6 S -1.9372465 0.0000000 0.2869589 0.0000000 -2.8946835 0.0000000 0.0771677 0.0000000 -2.2706732 7 S -1.9372465 0.0000000 0.2869589 0.0000000 -2.8946835 0.0000000 0.0771677 0.0000000 -2.2706732 8 S -1.9372465 0.0000000 -0.2869589 0.0000000 -2.8946835 0.0000000 -0.0771677 0.0000000 -2.2706732 9 Cu 0.4951010 0.0000000 -0.0470784 0.0000000 0.8256446 0.0000000 -0.1193446 0.0000000 0.6601129 10 Cu 0.4951010 0.0000000 0.0470784 0.0000000 0.8256446 0.0000000 0.1193446 0.0000000 0.6601129 11 Cu 0.4951010 0.0000000 -0.0470784 0.0000000 0.8256446 0.0000000 -0.1193446 0.0000000 0.6601129 12 Cu 0.4951010 0.0000000 0.0470784 0.0000000 0.8256446 0.0000000 0.1193446 0.0000000 0.6601129 13 Y 4.0605099 0.0000000 -0.2344542 0.0000000 4.6433997 0.0000000 -0.3958741 0.0000000 3.9578205 14 Y 4.0605099 0.0000000 -0.2344542 0.0000000 4.6433997 0.0000000 -0.3958741 0.0000000 3.9578205 15 Y 4.0605099 0.0000000 0.2344542 0.0000000 4.6433997 0.0000000 0.3958741 0.0000000 3.9578205 16 Y 4.0605099 0.0000000 0.2344542 0.0000000 4.6433997 0.0000000 0.3958741 0.0000000 3.9578205 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) 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: 0.61, 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 1.027 ( 0.000 0.000 0.000) 0.000 1.872 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.348 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 7.037 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.281 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.368 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.624 ( 0.000 0.000 0.000) 0.000 9.956 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 11.260 ( 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 19.338 0.000 0.000) 19.338 0.600 ( 30.911 0.000 0.000) 30.911 0.914 ( 46.882 0.000 0.000) 46.882 0.943 ( -8.722 0.000 0.000) 8.722 1.605 ( -20.364 0.000 0.000) 20.364 2.135 ( 7.772 0.000 0.000) 7.772 2.282 ( -17.042 0.000 0.000) 17.042 2.383 ( -5.929 0.000 0.000) 5.929 2.484 ( 1.363 0.000 0.000) 1.363 2.536 ( -0.826 0.000 0.000) 0.826 2.682 ( 0.298 0.000 0.000) 0.298 2.701 ( -0.482 0.000 0.000) 0.482 2.790 ( 0.581 0.000 0.000) 0.581 2.816 ( -0.538 0.000 0.000) 0.538 2.900 ( 3.472 0.000 0.000) 3.472 3.006 ( -1.928 0.000 0.000) 1.928 3.208 ( 1.205 0.000 0.000) 1.205 3.458 ( -17.421 0.000 0.000) 17.421 3.532 ( 8.549 0.000 0.000) 8.549 4.003 ( -9.287 0.000 0.000) 9.287 4.534 ( 19.777 0.000 0.000) 19.777 5.049 ( 9.442 0.000 0.000) 9.442 5.134 ( -8.458 0.000 0.000) 8.458 5.371 ( -5.313 0.000 0.000) 5.313 6.667 ( 1.548 0.000 0.000) 1.548 6.753 ( -2.161 0.000 0.000) 2.161 6.772 ( 1.820 0.000 0.000) 1.820 6.778 ( 1.082 0.000 0.000) 1.082 7.031 ( -0.261 0.000 0.000) 0.261 7.079 ( -1.522 0.000 0.000) 1.522 7.163 ( 2.186 0.000 0.000) 2.186 7.240 ( 0.006 0.000 0.000) 0.006 7.259 ( -2.060 0.000 0.000) 2.060 7.287 ( -2.364 0.000 0.000) 2.364 7.399 ( 1.419 0.000 0.000) 1.419 7.412 ( 3.010 0.000 0.000) 3.010 7.454 ( -1.000 0.000 0.000) 1.000 7.504 ( -1.494 0.000 0.000) 1.494 7.694 ( 0.134 0.000 0.000) 0.134 7.699 ( -0.070 0.000 0.000) 0.070 8.527 ( 0.072 0.000 0.000) 0.072 8.529 ( -0.017 0.000 0.000) 0.017 9.583 ( 0.708 0.000 0.000) 0.708 9.617 ( -0.713 0.000 0.000) 0.713 9.957 ( 0.142 0.000 0.000) 0.142 9.964 ( -0.147 0.000 0.000) 0.147 11.261 ( 0.139 0.000 0.000) 0.139 11.268 ( -0.129 0.000 0.000) 0.129 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -15.363 0.000 0.000) 15.363 0.712 ( 15.363 0.000 0.000) 15.363 1.148 ( -26.739 0.000 0.000) 26.739 1.148 ( 26.739 0.000 0.000) 26.739 1.738 ( -38.149 0.000 0.000) 38.149 1.738 ( 38.149 0.000 0.000) 38.149 2.268 ( -6.560 0.000 0.000) 6.560 2.268 ( 6.560 0.000 0.000) 6.560 2.513 ( -1.518 0.000 0.000) 1.518 2.513 ( 1.518 0.000 0.000) 1.518 2.690 ( -0.541 0.000 0.000) 0.541 2.690 ( 0.541 0.000 0.000) 0.541 2.803 ( -0.771 0.000 0.000) 0.771 2.803 ( 0.771 0.000 0.000) 0.771 2.961 ( -2.771 0.000 0.000) 2.771 2.961 ( 2.771 0.000 0.000) 2.771 3.260 ( -5.104 0.000 0.000) 5.104 3.260 ( 5.104 0.000 0.000) 5.104 3.755 ( -14.080 0.000 0.000) 14.080 3.755 ( 14.080 0.000 0.000) 14.080 4.896 ( -16.588 0.000 0.000) 16.588 4.896 ( 16.588 0.000 0.000) 16.588 5.232 ( -9.094 0.000 0.000) 9.094 5.232 ( 9.094 0.000 0.000) 9.094 6.706 ( -2.515 0.000 0.000) 2.515 6.706 ( 2.515 0.000 0.000) 2.515 6.793 ( -0.039 0.000 0.000) 0.039 6.793 ( 0.039 0.000 0.000) 0.039 7.044 ( -1.698 0.000 0.000) 1.698 7.044 ( 1.698 0.000 0.000) 1.698 7.212 ( -2.746 0.000 0.000) 2.746 7.212 ( 2.746 0.000 0.000) 2.746 7.251 ( -1.259 0.000 0.000) 1.259 7.251 ( 1.259 0.000 0.000) 1.259 7.429 ( -1.559 0.000 0.000) 1.559 7.429 ( 1.559 0.000 0.000) 1.559 7.465 ( -2.504 0.000 0.000) 2.504 7.465 ( 2.504 0.000 0.000) 2.504 7.697 ( -0.147 0.000 0.000) 0.147 7.697 ( 0.147 0.000 0.000) 0.147 8.528 ( -0.064 0.000 0.000) 0.064 8.528 ( 0.064 0.000 0.000) 0.064 9.600 ( -1.005 0.000 0.000) 1.005 9.600 ( 1.005 0.000 0.000) 1.005 9.961 ( -0.205 0.000 0.000) 0.205 9.961 ( 0.205 0.000 0.000) 0.205 11.264 ( -0.189 0.000 0.000) 0.189 11.264 ( 0.189 0.000 0.000) 0.189 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 0.000 22.606 0.000) 22.606 0.434 ( 0.000 23.041 0.000) 23.041 1.092 ( 0.000 52.580 0.000) 52.580 1.425 ( 0.000 32.370 0.000) 32.370 1.924 ( 0.000 5.337 0.000) 5.337 1.958 ( 0.000 -1.697 0.000) 1.697 2.293 ( 0.000 -7.434 0.000) 7.434 2.395 ( 0.000 -0.199 0.000) 0.199 2.650 ( 0.000 8.079 0.000) 8.079 2.690 ( 0.000 11.146 0.000) 11.146 2.726 ( 0.000 2.125 0.000) 2.125 2.748 ( 0.000 4.265 0.000) 4.265 2.778 ( 0.000 -0.244 0.000) 0.244 2.870 ( 0.000 1.634 0.000) 1.634 2.935 ( 0.000 10.455 0.000) 10.455 3.005 ( 0.000 -1.981 0.000) 1.981 3.190 ( 0.000 -0.818 0.000) 0.818 3.231 ( 0.000 4.217 0.000) 4.217 3.865 ( 0.000 -3.248 0.000) 3.248 3.944 ( 0.000 8.973 0.000) 8.973 4.345 ( 0.000 0.319 0.000) 0.319 4.885 ( 0.000 -4.643 0.000) 4.643 5.157 ( 0.000 -5.488 0.000) 5.488 5.373 ( 0.000 -2.624 0.000) 2.624 6.535 ( 0.000 0.148 0.000) 0.148 6.642 ( 0.000 -7.362 0.000) 7.362 6.778 ( 0.000 1.237 0.000) 1.237 6.974 ( 0.000 12.747 0.000) 12.747 7.045 ( 0.000 5.175 0.000) 5.175 7.075 ( 0.000 -1.729 0.000) 1.729 7.186 ( 0.000 1.900 0.000) 1.900 7.322 ( 0.000 0.500 0.000) 0.500 7.327 ( 0.000 4.207 0.000) 4.207 7.428 ( 0.000 5.336 0.000) 5.336 7.436 ( 0.000 6.289 0.000) 6.289 7.504 ( 0.000 -0.226 0.000) 0.226 7.514 ( 0.000 4.753 0.000) 4.753 7.761 ( 0.000 5.200 0.000) 5.200 7.770 ( 0.000 3.235 0.000) 3.235 7.912 ( 0.000 6.660 0.000) 6.660 8.563 ( 0.000 3.777 0.000) 3.777 9.245 ( 0.000 -4.402 0.000) 4.402 9.588 ( 0.000 0.848 0.000) 0.848 9.599 ( 0.000 -2.435 0.000) 2.435 9.946 ( 0.000 -0.981 0.000) 0.981 9.947 ( 0.000 -1.775 0.000) 1.775 10.372 ( 0.000 -2.279 0.000) 2.279 11.133 ( 0.000 -12.033 0.000) 12.033 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 23.765 11.815 0.000) 26.540 0.801 ( 23.797 15.529 0.000) 28.415 1.259 ( 17.792 37.115 0.000) 41.159 1.350 ( -7.592 31.412 0.000) 32.317 1.646 ( -17.882 6.055 0.000) 18.880 2.116 ( 7.773 0.098 0.000) 7.774 2.189 ( -12.626 -4.794 0.000) 13.505 2.347 ( -4.363 -0.382 0.000) 4.380 2.655 ( 0.417 8.494 0.000) 8.504 2.684 ( -0.837 12.660 0.000) 12.688 2.734 ( 0.303 4.471 0.000) 4.481 2.738 ( -0.502 3.252 0.000) 3.291 2.789 ( 1.056 0.540 0.000) 1.185 2.834 ( -1.200 -0.066 0.000) 1.202 2.946 ( 1.094 9.164 0.000) 9.229 2.999 ( -0.660 -0.756 0.000) 1.003 3.180 ( 1.741 -1.535 0.000) 2.321 3.459 ( 15.274 -0.557 0.000) 15.284 3.507 ( -18.482 4.869 0.000) 19.113 3.998 ( -9.571 -0.074 0.000) 9.571 4.526 ( 18.233 -0.349 0.000) 18.237 4.995 ( 9.535 -4.475 0.000) 10.533 5.082 ( -7.957 -5.002 0.000) 9.399 5.321 ( -5.384 -3.346 0.000) 6.339 6.557 ( 2.006 -2.365 0.000) 3.101 6.632 ( -1.134 -6.720 0.000) 6.815 6.828 ( 4.388 1.365 0.000) 4.596 6.963 ( -1.542 8.491 0.000) 8.630 7.049 ( 0.527 5.418 0.000) 5.444 7.071 ( -0.397 -1.462 0.000) 1.515 7.193 ( 1.039 3.391 0.000) 3.546 7.298 ( -2.751 5.494 0.000) 6.144 7.341 ( 2.268 2.952 0.000) 3.723 7.446 ( 1.547 4.984 0.000) 5.219 7.460 ( 2.330 6.176 0.000) 6.601 7.483 ( -2.364 0.446 0.000) 2.405 7.504 ( -0.980 4.714 0.000) 4.814 7.697 ( -11.323 9.768 0.000) 14.954 7.766 ( 0.449 5.726 0.000) 5.743 7.800 ( -3.169 12.773 0.000) 13.160 8.573 ( 1.128 4.606 0.000) 4.742 8.798 ( -18.779 16.645 0.000) 25.094 9.567 ( 0.222 -1.236 0.000) 1.256 9.593 ( -0.598 -2.322 0.000) 2.398 9.946 ( -0.011 -1.122 0.000) 1.122 9.946 ( -0.023 -1.724 0.000) 1.724 10.842 ( 21.023 -23.532 0.000) 31.555 11.121 ( -1.394 -12.979 0.000) 13.054 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -0.885 22.164 0.000) 22.181 1.108 ( 0.885 22.164 0.000) 22.181 1.213 ( -10.977 10.330 0.000) 15.073 1.213 ( 10.977 10.330 0.000) 15.073 1.797 ( -26.792 10.297 0.000) 28.703 1.797 ( 26.792 10.297 0.000) 28.703 2.247 ( -6.171 -0.530 0.000) 6.194 2.247 ( 6.171 -0.530 0.000) 6.194 2.666 ( -0.823 10.633 0.000) 10.665 2.666 ( 0.823 10.633 0.000) 10.665 2.735 ( -0.028 5.058 0.000) 5.058 2.735 ( 0.028 5.058 0.000) 5.058 2.814 ( -1.370 0.479 0.000) 1.451 2.814 ( 1.370 0.479 0.000) 1.451 2.977 ( -1.720 3.017 0.000) 3.473 2.977 ( 1.720 3.017 0.000) 3.473 3.262 ( -7.751 1.469 0.000) 7.889 3.262 ( 7.751 1.469 0.000) 7.889 3.745 ( -15.038 -0.041 0.000) 15.038 3.745 ( 15.038 -0.041 0.000) 15.038 4.860 ( -15.387 -3.394 0.000) 15.757 4.860 ( 15.387 -3.394 0.000) 15.757 5.180 ( -9.173 -4.080 0.000) 10.039 5.180 ( 9.173 -4.080 0.000) 10.039 6.599 ( -2.246 -4.934 0.000) 5.421 6.599 ( 2.246 -4.934 0.000) 5.421 6.911 ( -3.880 3.615 0.000) 5.303 6.911 ( 3.880 3.615 0.000) 5.303 7.061 ( -0.611 0.868 0.000) 1.062 7.061 ( 0.611 0.868 0.000) 1.062 7.236 ( -3.360 6.913 0.000) 7.686 7.236 ( 3.360 6.913 0.000) 7.686 7.410 ( -4.755 4.548 0.000) 6.580 7.410 ( 4.755 4.548 0.000) 6.580 7.477 ( -1.565 4.960 0.000) 5.202 7.477 ( 1.565 4.960 0.000) 5.202 7.526 ( -5.120 9.590 0.000) 10.871 7.526 ( 5.120 9.590 0.000) 10.871 7.777 ( -0.714 7.259 0.000) 7.294 7.777 ( 0.714 7.259 0.000) 7.294 8.617 ( -4.175 8.112 0.000) 9.123 8.617 ( 4.175 8.112 0.000) 9.123 9.579 ( -0.813 -1.999 0.000) 2.158 9.579 ( 0.813 -1.999 0.000) 2.158 9.946 ( -0.005 -1.442 0.000) 1.442 9.946 ( 0.005 -1.442 0.000) 1.442 11.064 ( -5.601 -16.860 0.000) 17.766 11.064 ( 5.601 -16.860 0.000) 17.766 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.000 25.318 0.000) 25.318 0.910 ( 0.000 24.762 0.000) 24.762 1.954 ( 0.000 1.621 0.000) 1.621 1.964 ( 0.000 27.223 0.000) 27.223 2.042 ( 0.000 25.174 0.000) 25.174 2.120 ( 0.000 19.541 0.000) 19.541 2.180 ( 0.000 -3.780 0.000) 3.780 2.418 ( 0.000 3.709 0.000) 3.709 2.754 ( 0.000 -0.869 0.000) 0.869 2.772 ( 0.000 2.319 0.000) 2.319 2.788 ( 0.000 5.295 0.000) 5.295 2.857 ( 0.000 4.221 0.000) 4.221 2.910 ( 0.000 9.253 0.000) 9.253 2.972 ( 0.000 1.451 0.000) 1.451 2.972 ( 0.000 10.801 0.000) 10.801 3.089 ( 0.000 3.389 0.000) 3.389 3.170 ( 0.000 -0.972 0.000) 0.972 3.482 ( 0.000 21.129 0.000) 21.129 3.795 ( 0.000 -3.504 0.000) 3.504 4.099 ( 0.000 2.943 0.000) 2.943 4.434 ( 0.000 11.400 0.000) 11.400 4.802 ( 0.000 -2.401 0.000) 2.401 5.010 ( 0.000 -8.933 0.000) 8.933 5.288 ( 0.000 -5.997 0.000) 5.997 6.536 ( 0.000 -2.955 0.000) 2.955 6.551 ( 0.000 1.638 0.000) 1.638 6.816 ( 0.000 2.662 0.000) 2.662 6.992 ( 0.000 -1.876 0.000) 1.876 7.031 ( 0.000 -2.544 0.000) 2.544 7.191 ( 0.000 -1.054 0.000) 1.054 7.236 ( 0.000 0.978 0.000) 0.978 7.416 ( 0.000 3.222 0.000) 3.222 7.508 ( 0.000 1.541 0.000) 1.541 7.523 ( 0.000 21.316 0.000) 21.316 7.563 ( 0.000 7.757 0.000) 7.757 7.578 ( 0.000 7.589 0.000) 7.589 7.636 ( 0.000 7.245 0.000) 7.245 7.758 ( 0.000 -1.075 0.000) 1.075 7.859 ( 0.000 4.196 0.000) 4.196 8.203 ( 0.000 19.062 0.000) 19.062 8.685 ( 0.000 8.116 0.000) 8.116 9.128 ( 0.000 -7.160 0.000) 7.160 9.535 ( 0.000 -3.857 0.000) 3.857 9.594 ( 0.000 -0.550 0.000) 0.550 9.907 ( 0.000 -1.910 0.000) 1.910 9.921 ( 0.000 -1.351 0.000) 1.351 10.309 ( 0.000 -4.038 0.000) 4.038 10.833 ( 0.000 -16.930 0.000) 16.930 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 14.279 20.685 0.000) 25.135 1.096 ( 17.375 16.874 0.000) 24.220 1.717 ( -16.394 9.789 0.000) 19.094 1.838 ( -16.681 11.985 0.000) 20.540 2.090 ( 6.471 27.993 0.000) 28.731 2.177 ( 4.712 8.735 0.000) 9.925 2.233 ( 1.341 10.230 0.000) 10.317 2.375 ( -4.309 4.547 0.000) 6.264 2.748 ( -0.245 -0.993 0.000) 1.023 2.762 ( -0.771 1.440 0.000) 1.633 2.817 ( 2.764 5.041 0.000) 5.749 2.894 ( 1.987 9.198 0.000) 9.411 2.904 ( -0.362 7.264 0.000) 7.273 2.929 ( -1.887 10.402 0.000) 10.571 2.984 ( 1.972 0.937 0.000) 2.184 3.136 ( -3.278 2.003 0.000) 3.842 3.192 ( 7.912 7.375 0.000) 10.817 3.576 ( 9.196 13.636 0.000) 16.448 3.623 ( -13.858 5.649 0.000) 14.965 4.012 ( -9.713 1.149 0.000) 9.781 4.555 ( 11.340 4.500 0.000) 12.200 4.912 ( 9.490 -3.010 0.000) 9.956 4.948 ( -6.383 -7.926 0.000) 10.176 5.237 ( -5.333 -5.327 0.000) 7.538 6.539 ( 0.224 -2.424 0.000) 2.435 6.546 ( -0.355 0.859 0.000) 0.930 6.861 ( 4.191 2.171 0.000) 4.720 6.984 ( -0.897 -1.266 0.000) 1.551 7.031 ( 0.119 -2.416 0.000) 2.419 7.120 ( -4.784 -0.307 0.000) 4.794 7.293 ( 3.610 0.472 0.000) 3.641 7.401 ( -1.639 2.790 0.000) 3.236 7.498 ( -1.214 13.445 0.000) 13.499 7.501 ( -0.681 2.933 0.000) 3.011 7.574 ( 1.071 7.439 0.000) 7.516 7.622 ( -0.162 7.400 0.000) 7.401 7.635 ( 3.101 10.237 0.000) 10.696 7.744 ( -1.433 0.567 0.000) 1.541 7.898 ( 4.133 8.286 0.000) 9.260 8.146 ( -5.791 19.541 0.000) 20.381 8.704 ( 2.269 8.036 0.000) 8.350 8.972 ( -12.498 1.818 0.000) 12.629 9.532 ( -0.240 -3.633 0.000) 3.641 9.546 ( -2.150 -0.964 0.000) 2.356 9.906 ( 0.098 -2.011 0.000) 2.013 9.918 ( -0.325 -1.517 0.000) 1.552 10.505 ( 14.303 -12.313 0.000) 18.873 10.811 ( -2.626 -16.981 0.000) 17.183 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -17.198 12.797 0.000) 21.437 1.366 ( 17.198 12.797 0.000) 21.437 1.480 ( -19.036 10.704 0.000) 21.839 1.480 ( 19.036 10.704 0.000) 21.839 2.204 ( -4.432 22.983 0.000) 23.407 2.204 ( 4.432 22.983 0.000) 23.407 2.274 ( -5.657 3.672 0.000) 6.745 2.274 ( 5.657 3.672 0.000) 6.745 2.750 ( -0.438 -0.111 0.000) 0.451 2.750 ( 0.438 -0.111 0.000) 0.451 2.872 ( -2.537 5.482 0.000) 6.040 2.872 ( 2.537 5.482 0.000) 6.040 2.914 ( -0.160 10.898 0.000) 10.899 2.914 ( 0.160 10.898 0.000) 10.899 3.057 ( -4.785 3.236 0.000) 5.776 3.057 ( 4.785 3.236 0.000) 5.776 3.372 ( -11.621 9.965 0.000) 15.309 3.372 ( 11.621 9.965 0.000) 15.309 3.790 ( -12.537 5.261 0.000) 13.596 3.790 ( 12.537 5.261 0.000) 13.596 4.779 ( -11.166 -3.983 0.000) 11.856 4.779 ( 11.166 -3.983 0.000) 11.856 5.097 ( -9.205 -4.106 0.000) 10.079 5.097 ( 9.205 -4.106 0.000) 10.079 6.542 ( -0.097 -0.922 0.000) 0.927 6.542 ( 0.097 -0.922 0.000) 0.927 6.944 ( -3.739 0.852 0.000) 3.835 6.944 ( 3.739 0.852 0.000) 3.835 7.048 ( -2.197 -1.628 0.000) 2.734 7.048 ( 2.197 -1.628 0.000) 2.734 7.356 ( -2.964 1.465 0.000) 3.306 7.356 ( 2.964 1.465 0.000) 3.306 7.490 ( -0.260 7.157 0.000) 7.161 7.490 ( 0.260 7.157 0.000) 7.161 7.599 ( -1.458 7.020 0.000) 7.170 7.599 ( 1.458 7.020 0.000) 7.170 7.702 ( -3.049 5.500 0.000) 6.289 7.702 ( 3.049 5.500 0.000) 6.289 8.011 ( -7.451 16.529 0.000) 18.131 8.011 ( 7.451 16.529 0.000) 18.131 8.784 ( -6.701 7.254 0.000) 9.875 8.784 ( 6.701 7.254 0.000) 9.875 9.529 ( -0.072 -2.821 0.000) 2.822 9.529 ( 0.072 -2.821 0.000) 2.822 9.911 ( -0.365 -1.847 0.000) 1.883 9.911 ( 0.365 -1.847 0.000) 1.883 10.718 ( -7.756 -16.599 0.000) 18.322 10.718 ( 7.756 -16.599 0.000) 18.322 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 24.536 0.000) 24.536 1.394 ( 0.000 23.684 0.000) 23.684 2.023 ( 0.000 5.203 0.000) 5.203 2.147 ( 0.000 0.492 0.000) 0.492 2.270 ( 0.000 13.233 0.000) 13.233 2.307 ( 0.000 4.474 0.000) 4.474 2.466 ( 0.000 7.403 0.000) 7.403 2.590 ( 0.000 11.430 0.000) 11.430 2.731 ( 0.000 -1.512 0.000) 1.512 2.825 ( 0.000 -4.079 0.000) 4.079 2.826 ( 0.000 3.011 0.000) 3.011 2.855 ( 0.000 1.697 0.000) 1.697 3.058 ( 0.000 5.813 0.000) 5.813 3.125 ( 0.000 9.041 0.000) 9.041 3.129 ( 0.000 1.456 0.000) 1.456 3.131 ( 0.000 -0.854 0.000) 0.854 3.386 ( 0.000 25.936 0.000) 25.936 3.718 ( 0.000 -5.094 0.000) 5.094 3.934 ( 0.000 21.796 0.000) 21.796 4.046 ( 0.000 -6.722 0.000) 6.722 4.764 ( 0.000 19.518 0.000) 19.518 4.836 ( 0.000 -7.387 0.000) 7.387 4.848 ( 0.000 8.234 0.000) 8.234 5.144 ( 0.000 -7.797 0.000) 7.797 6.519 ( 0.000 0.781 0.000) 0.781 6.599 ( 0.000 3.073 0.000) 3.073 6.881 ( 0.000 3.819 0.000) 3.819 6.938 ( 0.000 -3.582 0.000) 3.582 6.981 ( 0.000 -2.323 0.000) 2.323 7.153 ( 0.000 -2.507 0.000) 2.507 7.228 ( 0.000 -0.436 0.000) 0.436 7.399 ( 0.000 -3.512 0.000) 3.512 7.601 ( 0.000 6.407 0.000) 6.407 7.715 ( 0.000 7.115 0.000) 7.115 7.738 ( 0.000 8.859 0.000) 8.859 7.785 ( 0.000 7.423 0.000) 7.423 7.791 ( 0.000 4.801 0.000) 4.801 7.915 ( 0.000 16.217 0.000) 16.217 7.932 ( 0.000 3.439 0.000) 3.439 8.586 ( 0.000 18.434 0.000) 18.434 8.850 ( 0.000 7.647 0.000) 7.647 8.968 ( 0.000 -8.850 0.000) 8.850 9.455 ( 0.000 -4.047 0.000) 4.047 9.564 ( 0.000 -2.375 0.000) 2.375 9.878 ( 0.000 -1.017 0.000) 1.017 9.900 ( 0.000 -0.636 0.000) 0.636 10.217 ( 0.000 -5.053 0.000) 5.053 10.508 ( 0.000 -15.189 0.000) 15.189 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 7.329 19.544 0.000) 20.873 1.474 ( 8.104 22.015 0.000) 23.459 1.908 ( -10.328 9.842 0.000) 14.266 1.954 ( -14.826 4.325 0.000) 15.444 2.314 ( 3.408 9.959 0.000) 10.526 2.364 ( 2.145 3.497 0.000) 4.103 2.477 ( 1.089 7.126 0.000) 7.209 2.558 ( -2.693 9.185 0.000) 9.572 2.734 ( 0.553 0.227 0.000) 0.598 2.788 ( -2.265 1.873 0.000) 2.939 2.895 ( 2.560 2.303 0.000) 3.443 2.900 ( 4.959 -2.964 0.000) 5.777 3.061 ( 0.797 5.684 0.000) 5.739 3.122 ( 0.033 3.180 0.000) 3.180 3.129 ( 0.259 8.800 0.000) 8.804 3.133 ( -0.538 0.914 0.000) 1.060 3.469 ( 7.474 21.038 0.000) 22.326 3.683 ( -3.141 -0.892 0.000) 3.265 3.922 ( -0.820 17.607 0.000) 17.626 4.014 ( -3.568 -1.243 0.000) 3.779 4.731 ( -0.809 12.581 0.000) 12.607 4.808 ( -2.643 -4.758 0.000) 5.443 4.931 ( 6.097 6.767 0.000) 9.109 5.119 ( -2.710 -5.614 0.000) 6.234 6.529 ( 1.011 1.025 0.000) 1.440 6.582 ( -1.474 2.664 0.000) 3.045 6.913 ( 2.641 2.650 0.000) 3.742 6.941 ( 0.262 -3.155 0.000) 3.166 6.983 ( 0.552 -1.960 0.000) 2.036 7.104 ( -3.990 -0.916 0.000) 4.094 7.271 ( 3.210 -1.653 0.000) 3.610 7.380 ( -1.933 -3.251 0.000) 3.783 7.613 ( 1.280 6.849 0.000) 6.968 7.716 ( -2.830 9.669 0.000) 10.075 7.721 ( 0.632 7.026 0.000) 7.055 7.764 ( -1.901 6.823 0.000) 7.082 7.797 ( 0.521 5.220 0.000) 5.246 7.822 ( -1.934 7.513 0.000) 7.758 8.110 ( 11.146 11.419 0.000) 15.957 8.517 ( -7.271 16.347 0.000) 17.891 8.859 ( 0.915 6.883 0.000) 6.943 8.935 ( -2.860 -3.793 0.000) 4.750 9.458 ( 0.366 -3.731 0.000) 3.749 9.520 ( -3.268 -1.842 0.000) 3.752 9.875 ( -0.001 -1.018 0.000) 1.018 9.894 ( -0.599 -0.767 0.000) 0.973 10.306 ( 7.272 -8.548 0.000) 11.223 10.492 ( -1.860 -14.612 0.000) 14.730 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -2.225 13.799 0.000) 13.977 1.635 ( 2.225 13.799 0.000) 13.977 1.715 ( -0.909 13.632 0.000) 13.662 1.715 ( 0.909 13.632 0.000) 13.662 2.367 ( -1.660 5.984 0.000) 6.211 2.367 ( 1.660 5.984 0.000) 6.211 2.508 ( -2.272 7.574 0.000) 7.907 2.508 ( 2.272 7.574 0.000) 7.907 2.753 ( -1.431 1.187 0.000) 1.859 2.753 ( 1.431 1.187 0.000) 1.859 2.934 ( -1.008 0.660 0.000) 1.205 2.934 ( 1.008 0.660 0.000) 1.205 3.101 ( -2.514 1.799 0.000) 3.091 3.101 ( 2.514 1.799 0.000) 3.091 3.130 ( -0.195 7.666 0.000) 7.668 3.130 ( 0.195 7.666 0.000) 7.668 3.605 ( -5.713 10.959 0.000) 12.359 3.605 ( 5.713 10.959 0.000) 12.359 3.937 ( -3.139 8.346 0.000) 8.917 3.937 ( 3.139 8.346 0.000) 8.917 4.753 ( -2.668 2.619 0.000) 3.738 4.753 ( 2.668 2.619 0.000) 3.738 5.042 ( -5.285 0.039 0.000) 5.285 5.042 ( 5.285 0.039 0.000) 5.285 6.553 ( -1.483 1.743 0.000) 2.288 6.553 ( 1.483 1.743 0.000) 2.288 6.943 ( -0.315 -1.560 0.000) 1.591 6.943 ( 0.315 -1.560 0.000) 1.591 7.025 ( -3.868 0.137 0.000) 3.870 7.025 ( 3.868 0.137 0.000) 3.870 7.332 ( -3.058 -2.574 0.000) 3.997 7.332 ( 3.058 -2.574 0.000) 3.997 7.652 ( -2.974 8.201 0.000) 8.724 7.652 ( 2.974 8.201 0.000) 8.724 7.737 ( -1.106 6.824 0.000) 6.913 7.737 ( 1.106 6.824 0.000) 6.913 7.807 ( -0.459 6.170 0.000) 6.187 7.807 ( 0.459 6.170 0.000) 6.187 8.330 ( -11.618 13.372 0.000) 17.714 8.330 ( 11.618 13.372 0.000) 17.714 8.886 ( -2.054 3.624 0.000) 4.166 8.886 ( 2.054 3.624 0.000) 4.166 9.474 ( -1.504 -2.752 0.000) 3.136 9.474 ( 1.504 -2.752 0.000) 3.136 9.881 ( -0.582 -0.977 0.000) 1.137 9.881 ( 0.582 -0.977 0.000) 1.137 10.429 ( -5.079 -12.626 0.000) 13.609 10.429 ( 5.079 -12.626 0.000) 13.609 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 0.000 19.130 0.000) 19.130 1.848 ( 0.000 21.213 0.000) 21.213 2.154 ( 0.000 8.171 0.000) 8.171 2.199 ( 0.000 4.560 0.000) 4.560 2.349 ( 0.000 0.790 0.000) 0.790 2.488 ( 0.000 1.387 0.000) 1.387 2.549 ( 0.000 10.027 0.000) 10.027 2.692 ( 0.000 -2.402 0.000) 2.402 2.745 ( 0.000 -2.679 0.000) 2.679 2.796 ( 0.000 8.310 0.000) 8.310 2.868 ( 0.000 -0.077 0.000) 0.077 2.875 ( 0.000 1.772 0.000) 1.772 3.113 ( 0.000 -0.539 0.000) 0.539 3.147 ( 0.000 3.392 0.000) 3.392 3.156 ( 0.000 1.289 0.000) 1.289 3.242 ( 0.000 2.872 0.000) 2.872 3.569 ( 0.000 -9.925 0.000) 9.925 3.799 ( 0.000 11.421 0.000) 11.421 3.867 ( 0.000 -10.848 0.000) 10.848 4.235 ( 0.000 5.766 0.000) 5.766 4.799 ( 0.000 5.889 0.000) 5.889 5.054 ( 0.000 1.191 0.000) 1.191 5.116 ( 0.000 17.044 0.000) 17.044 5.146 ( 0.000 18.288 0.000) 18.288 6.551 ( 0.000 2.090 0.000) 2.090 6.668 ( 0.000 3.725 0.000) 3.725 6.853 ( 0.000 -4.902 0.000) 4.902 6.918 ( 0.000 -1.480 0.000) 1.480 6.989 ( 0.000 4.502 0.000) 4.502 7.107 ( 0.000 -1.704 0.000) 1.704 7.233 ( 0.000 0.868 0.000) 0.868 7.323 ( 0.000 -3.633 0.000) 3.633 7.723 ( 0.000 5.538 0.000) 5.538 7.831 ( 0.000 4.414 0.000) 4.414 7.916 ( 0.000 5.638 0.000) 5.638 7.928 ( 0.000 10.038 0.000) 10.038 7.937 ( 0.000 9.384 0.000) 9.384 8.001 ( 0.000 3.585 0.000) 3.585 8.144 ( 0.000 7.224 0.000) 7.224 8.787 ( 0.000 -9.218 0.000) 9.218 8.900 ( 0.000 12.975 0.000) 12.975 8.961 ( 0.000 3.444 0.000) 3.444 9.376 ( 0.000 -4.083 0.000) 4.083 9.505 ( 0.000 -3.546 0.000) 3.546 9.865 ( 0.000 -0.284 0.000) 0.284 9.901 ( 0.000 0.693 0.000) 0.693 10.114 ( 0.000 -5.238 0.000) 5.238 10.251 ( 0.000 -10.725 0.000) 10.725 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 1.605 17.259 0.000) 17.334 1.888 ( 4.003 19.513 0.000) 19.920 2.061 ( -9.553 6.587 0.000) 11.603 2.105 ( -4.753 10.311 0.000) 11.354 2.413 ( 3.384 1.443 0.000) 3.679 2.482 ( -0.732 1.938 0.000) 2.072 2.570 ( 2.061 8.534 0.000) 8.780 2.658 ( -2.015 1.739 0.000) 2.662 2.788 ( 0.285 3.535 0.000) 3.546 2.826 ( -2.110 1.598 0.000) 2.646 2.841 ( 5.818 -1.259 0.000) 5.952 2.913 ( 1.603 -0.198 0.000) 1.615 3.113 ( 0.232 -0.598 0.000) 0.641 3.140 ( -0.716 2.635 0.000) 2.731 3.173 ( 1.506 1.273 0.000) 1.972 3.235 ( -0.989 2.277 0.000) 2.482 3.575 ( 2.207 -8.778 0.000) 9.052 3.776 ( -3.039 5.905 0.000) 6.641 3.934 ( 5.816 -7.540 0.000) 9.522 4.164 ( -6.152 4.641 0.000) 7.706 4.828 ( 3.030 8.127 0.000) 8.674 5.032 ( -6.196 17.579 0.000) 18.639 5.092 ( 3.334 4.557 0.000) 5.647 5.172 ( 0.318 15.086 0.000) 15.089 6.564 ( 1.382 2.224 0.000) 2.618 6.644 ( -2.179 3.390 0.000) 4.030 6.863 ( 1.005 -4.592 0.000) 4.701 6.910 ( -0.922 -2.362 0.000) 2.536 7.011 ( 2.050 4.165 0.000) 4.642 7.091 ( -1.566 -0.202 0.000) 1.578 7.250 ( 1.601 -0.195 0.000) 1.613 7.312 ( -1.133 -3.134 0.000) 3.332 7.740 ( 1.817 5.677 0.000) 5.960 7.843 ( 1.200 4.935 0.000) 5.079 7.879 ( -4.234 5.145 0.000) 6.663 7.911 ( -2.387 9.008 0.000) 9.319 7.942 ( 0.450 9.113 0.000) 9.124 7.953 ( -0.599 6.565 0.000) 6.592 8.276 ( 10.310 4.850 0.000) 11.394 8.682 ( -9.018 -1.897 0.000) 9.215 8.936 ( 2.025 6.444 0.000) 6.755 8.962 ( 0.063 3.576 0.000) 3.577 9.384 ( 0.958 -3.869 0.000) 3.986 9.470 ( -3.036 -3.248 0.000) 4.446 9.866 ( 0.215 0.039 0.000) 0.218 9.892 ( -0.796 0.618 0.000) 1.008 10.156 ( 3.545 -6.724 0.000) 7.602 10.246 ( -0.685 -10.270 0.000) 10.293 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -5.374 12.722 0.000) 13.810 1.901 ( 5.374 12.722 0.000) 13.810 1.998 ( -5.679 14.566 0.000) 15.634 1.998 ( 5.679 14.566 0.000) 15.634 2.459 ( -1.697 1.877 0.000) 2.530 2.459 ( 1.697 1.877 0.000) 2.530 2.616 ( -2.523 5.767 0.000) 6.294 2.616 ( 2.523 5.767 0.000) 6.294 2.796 ( -0.951 2.865 0.000) 3.019 2.796 ( 0.951 2.865 0.000) 3.019 2.918 ( -1.652 -1.848 0.000) 2.478 2.918 ( 1.652 -1.848 0.000) 2.478 3.124 ( -0.854 0.474 0.000) 0.977 3.124 ( 0.854 0.474 0.000) 0.977 3.205 ( -1.866 1.347 0.000) 2.301 3.205 ( 1.866 1.347 0.000) 2.301 3.673 ( -7.014 -3.472 0.000) 7.826 3.673 ( 7.014 -3.472 0.000) 7.826 4.048 ( -5.969 -0.320 0.000) 5.978 4.048 ( 5.969 -0.320 0.000) 5.978 4.913 ( -5.803 13.797 0.000) 14.967 4.913 ( 5.803 13.797 0.000) 14.967 5.151 ( -2.406 10.373 0.000) 10.649 5.151 ( 2.406 10.373 0.000) 10.649 6.600 ( -2.250 2.695 0.000) 3.511 6.600 ( 2.250 2.695 0.000) 3.511 6.886 ( -1.400 -3.660 0.000) 3.918 6.886 ( 1.400 -3.660 0.000) 3.918 7.054 ( -2.261 2.364 0.000) 3.271 7.054 ( 2.261 2.364 0.000) 3.271 7.284 ( -1.767 -1.841 0.000) 2.551 7.284 ( 1.767 -1.841 0.000) 2.551 7.794 ( -3.884 5.833 0.000) 7.008 7.794 ( 3.884 5.833 0.000) 7.008 7.873 ( -1.851 6.259 0.000) 6.527 7.873 ( 1.851 6.259 0.000) 6.527 7.949 ( -0.263 8.432 0.000) 8.436 7.949 ( 0.263 8.432 0.000) 8.436 8.485 ( -11.312 2.211 0.000) 11.526 8.485 ( 11.312 2.211 0.000) 11.526 8.959 ( -0.533 4.182 0.000) 4.216 8.959 ( 0.533 4.182 0.000) 4.216 9.415 ( -2.378 -3.376 0.000) 4.130 9.415 ( 2.378 -3.376 0.000) 4.130 9.876 ( -0.796 0.417 0.000) 0.899 9.876 ( 0.796 0.417 0.000) 0.899 10.217 ( -2.497 -8.915 0.000) 9.258 10.217 ( 2.497 -8.915 0.000) 9.258 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.000 10.159 0.000) 10.159 2.215 ( 0.000 14.610 0.000) 14.610 2.324 ( 0.000 8.713 0.000) 8.713 2.357 ( 0.000 0.434 0.000) 0.434 2.359 ( 0.000 12.497 0.000) 12.497 2.445 ( 0.000 -3.572 0.000) 3.572 2.644 ( 0.000 -1.871 0.000) 1.871 2.688 ( 0.000 -2.864 0.000) 2.864 2.739 ( 0.000 5.968 0.000) 5.968 2.865 ( 0.000 0.057 0.000) 0.057 2.895 ( 0.000 0.324 0.000) 0.324 2.945 ( 0.000 5.313 0.000) 5.313 3.126 ( 0.000 2.397 0.000) 2.397 3.181 ( 0.000 1.285 0.000) 1.285 3.199 ( 0.000 1.962 0.000) 1.962 3.263 ( 0.000 -0.183 0.000) 0.183 3.355 ( 0.000 -10.118 0.000) 10.118 3.642 ( 0.000 -11.336 0.000) 11.336 3.847 ( 0.000 -2.799 0.000) 2.799 4.163 ( 0.000 -9.897 0.000) 9.897 5.035 ( 0.000 14.405 0.000) 14.405 5.186 ( 0.000 9.125 0.000) 9.125 5.441 ( 0.000 14.294 0.000) 14.294 5.463 ( 0.000 13.161 0.000) 13.161 6.589 ( 0.000 1.609 0.000) 1.609 6.740 ( 0.000 3.478 0.000) 3.478 6.754 ( 0.000 -4.857 0.000) 4.857 6.882 ( 0.000 -1.874 0.000) 1.874 7.094 ( 0.000 5.453 0.000) 5.453 7.103 ( 0.000 1.573 0.000) 1.573 7.253 ( 0.000 0.712 0.000) 0.712 7.267 ( 0.000 -2.011 0.000) 2.011 7.810 ( 0.000 3.197 0.000) 3.197 7.885 ( 0.000 1.036 0.000) 1.036 8.002 ( 0.000 3.083 0.000) 3.083 8.054 ( 0.000 2.410 0.000) 2.410 8.122 ( 0.000 7.855 0.000) 7.855 8.138 ( 0.000 10.349 0.000) 10.349 8.227 ( 0.000 1.999 0.000) 1.999 8.615 ( 0.000 -8.011 0.000) 8.011 9.003 ( 0.000 1.728 0.000) 1.728 9.099 ( 0.000 7.506 0.000) 7.506 9.287 ( 0.000 -5.071 0.000) 5.071 9.423 ( 0.000 -4.695 0.000) 4.695 9.868 ( 0.000 0.640 0.000) 0.640 9.922 ( 0.000 1.305 0.000) 1.305 10.017 ( 0.000 -4.489 0.000) 4.489 10.084 ( 0.000 -6.302 0.000) 6.302 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -0.217 10.299 0.000) 10.302 2.193 ( -4.600 7.930 0.000) 9.167 2.244 ( -0.086 14.218 0.000) 14.218 2.326 ( -2.775 11.343 0.000) 11.678 2.428 ( 2.571 0.780 0.000) 2.687 2.457 ( 0.673 -1.751 0.000) 1.876 2.677 ( 2.003 0.594 0.000) 2.089 2.739 ( -0.339 5.393 0.000) 5.403 2.750 ( 6.179 -3.446 0.000) 7.075 2.851 ( -0.507 0.970 0.000) 1.094 2.898 ( -0.423 -1.131 0.000) 1.208 2.923 ( -2.133 4.032 0.000) 4.562 3.123 ( -0.077 2.248 0.000) 2.249 3.169 ( -2.407 0.573 0.000) 2.475 3.194 ( 1.181 0.977 0.000) 1.532 3.249 ( -1.530 -0.263 0.000) 1.553 3.404 ( 5.907 -6.661 0.000) 8.903 3.737 ( 8.593 -11.348 0.000) 14.234 3.761 ( -8.451 -3.813 0.000) 9.271 4.087 ( -7.321 -9.835 0.000) 12.261 5.091 ( 5.769 15.084 0.000) 16.149 5.256 ( 6.170 9.297 0.000) 11.159 5.371 ( -6.163 15.167 0.000) 16.371 5.451 ( -2.293 12.007 0.000) 12.224 6.606 ( 1.731 1.803 0.000) 2.500 6.710 ( -2.838 3.148 0.000) 4.238 6.769 ( 1.621 -4.605 0.000) 4.881 6.860 ( -2.162 -2.527 0.000) 3.326 7.104 ( 0.732 4.853 0.000) 4.908 7.107 ( 0.324 2.094 0.000) 2.119 7.257 ( 0.380 0.412 0.000) 0.560 7.266 ( -0.038 -1.466 0.000) 1.466 7.829 ( 2.011 3.338 0.000) 3.897 7.906 ( 2.143 1.445 0.000) 2.584 7.959 ( -3.836 3.129 0.000) 4.951 8.019 ( -3.058 2.820 0.000) 4.160 8.121 ( 0.588 8.552 0.000) 8.573 8.138 ( -0.066 10.049 0.000) 10.049 8.316 ( 7.300 -0.036 0.000) 7.300 8.574 ( -4.311 -6.611 0.000) 7.892 9.013 ( 1.034 2.249 0.000) 2.475 9.079 ( -1.835 6.322 0.000) 6.583 9.298 ( 1.214 -5.005 0.000) 5.151 9.391 ( -2.907 -4.675 0.000) 5.505 9.876 ( 0.787 0.994 0.000) 1.268 9.913 ( -0.822 1.386 0.000) 1.612 10.039 ( 1.962 -5.022 0.000) 5.391 10.084 ( -0.098 -6.198 0.000) 6.198 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -1.976 9.618 0.000) 9.819 2.123 ( 1.976 9.618 0.000) 9.819 2.274 ( -2.473 12.498 0.000) 12.740 2.274 ( 2.473 12.498 0.000) 12.740 2.457 ( -0.693 -0.555 0.000) 0.888 2.457 ( 0.693 -0.555 0.000) 0.888 2.716 ( -1.939 2.980 0.000) 3.555 2.716 ( 1.939 2.980 0.000) 3.555 2.848 ( -2.578 0.223 0.000) 2.588 2.848 ( 2.578 0.223 0.000) 2.588 2.881 ( -1.008 -0.460 0.000) 1.108 2.881 ( 1.008 -0.460 0.000) 1.108 3.132 ( -1.202 1.384 0.000) 1.833 3.132 ( 1.202 1.384 0.000) 1.833 3.219 ( -1.471 0.381 0.000) 1.519 3.219 ( 1.471 0.381 0.000) 1.519 3.568 ( -10.698 -4.922 0.000) 11.776 3.568 ( 10.698 -4.922 0.000) 11.776 3.919 ( -9.891 -10.583 0.000) 14.486 3.919 ( 9.891 -10.583 0.000) 14.486 5.230 ( -8.199 15.675 0.000) 17.689 5.230 ( 8.199 15.675 0.000) 17.689 5.374 ( -5.623 10.394 0.000) 11.817 5.374 ( 5.623 10.394 0.000) 11.817 6.651 ( -2.983 2.403 0.000) 3.830 6.651 ( 2.983 2.403 0.000) 3.830 6.811 ( -2.657 -3.756 0.000) 4.601 6.811 ( 2.657 -3.756 0.000) 4.601 7.111 ( -0.001 3.420 0.000) 3.420 7.111 ( 0.001 3.420 0.000) 3.420 7.264 ( -0.256 -0.397 0.000) 0.473 7.264 ( 0.256 -0.397 0.000) 0.473 7.884 ( -3.665 3.455 0.000) 5.037 7.884 ( 3.665 3.455 0.000) 5.037 7.958 ( -3.193 2.357 0.000) 3.968 7.958 ( 3.193 2.357 0.000) 3.968 8.133 ( -0.489 9.297 0.000) 9.310 8.133 ( 0.489 9.297 0.000) 9.310 8.460 ( -7.348 -3.352 0.000) 8.077 8.460 ( 7.348 -3.352 0.000) 8.077 9.041 ( -1.887 3.937 0.000) 4.366 9.041 ( 1.887 3.937 0.000) 4.366 9.335 ( -2.674 -4.815 0.000) 5.508 9.335 ( 2.674 -4.815 0.000) 5.508 9.895 ( -1.077 1.390 0.000) 1.758 9.895 ( 1.077 1.390 0.000) 1.758 10.073 ( -1.263 -5.799 0.000) 5.935 10.073 ( 1.263 -5.799 0.000) 5.935 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 0.000 5.741 0.000) 5.741 2.363 ( 0.000 -4.573 0.000) 4.573 2.369 ( 0.000 2.697 0.000) 2.697 2.373 ( 0.000 1.014 0.000) 1.014 2.528 ( 0.000 7.147 0.000) 7.147 2.600 ( 0.000 10.678 0.000) 10.678 2.622 ( 0.000 -3.876 0.000) 3.876 2.684 ( 0.000 8.760 0.000) 8.760 2.752 ( 0.000 -4.128 0.000) 4.128 2.873 ( 0.000 0.751 0.000) 0.751 2.890 ( 0.000 -0.746 0.000) 0.746 2.907 ( 0.000 -9.806 0.000) 9.806 3.191 ( 0.000 2.650 0.000) 2.650 3.204 ( 0.000 0.825 0.000) 0.825 3.229 ( 0.000 1.207 0.000) 1.207 3.250 ( 0.000 -0.971 0.000) 0.971 3.286 ( 0.000 4.289 0.000) 4.289 3.434 ( 0.000 -9.449 0.000) 9.449 3.819 ( 0.000 2.079 0.000) 2.079 3.948 ( 0.000 -10.102 0.000) 10.102 5.265 ( 0.000 7.625 0.000) 7.625 5.315 ( 0.000 2.574 0.000) 2.574 5.641 ( 0.000 5.373 0.000) 5.373 5.645 ( 0.000 4.839 0.000) 4.839 6.619 ( 0.000 1.725 0.000) 1.725 6.669 ( 0.000 -3.500 0.000) 3.500 6.801 ( 0.000 2.593 0.000) 2.593 6.845 ( 0.000 -1.953 0.000) 1.953 7.166 ( 0.000 4.239 0.000) 4.239 7.188 ( 0.000 3.710 0.000) 3.710 7.236 ( 0.000 -1.487 0.000) 1.487 7.239 ( 0.000 -2.438 0.000) 2.438 7.854 ( 0.000 1.545 0.000) 1.545 7.880 ( 0.000 -1.061 0.000) 1.061 8.049 ( 0.000 1.953 0.000) 1.953 8.075 ( 0.000 -0.322 0.000) 0.322 8.227 ( 0.000 2.709 0.000) 2.709 8.246 ( 0.000 0.214 0.000) 0.214 8.325 ( 0.000 8.312 0.000) 8.312 8.471 ( 0.000 -6.860 0.000) 6.860 9.062 ( 0.000 4.599 0.000) 4.599 9.174 ( 0.000 -6.135 0.000) 6.135 9.219 ( 0.000 5.291 0.000) 5.291 9.323 ( 0.000 -5.285 0.000) 5.285 9.892 ( 0.000 1.808 0.000) 1.808 9.941 ( 0.000 -3.138 0.000) 3.138 9.950 ( 0.000 1.605 0.000) 1.605 9.993 ( 0.000 -3.088 0.000) 3.088 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.279 5.957 0.000) 5.964 2.320 ( -2.905 4.926 0.000) 5.719 2.363 ( 0.013 -3.994 0.000) 3.994 2.379 ( -0.595 -0.702 0.000) 0.920 2.539 ( 0.999 8.884 0.000) 8.940 2.589 ( -1.088 10.633 0.000) 10.689 2.656 ( 3.179 -3.700 0.000) 4.878 2.738 ( 4.579 4.332 0.000) 6.303 2.748 ( -0.629 -4.425 0.000) 4.470 2.857 ( -1.303 0.435 0.000) 1.374 2.877 ( -1.541 -1.144 0.000) 1.920 2.884 ( -1.971 -7.588 0.000) 7.840 3.189 ( -0.051 2.919 0.000) 2.919 3.205 ( -1.158 2.754 0.000) 2.988 3.210 ( 0.513 0.407 0.000) 0.655 3.238 ( -0.946 -0.830 0.000) 1.258 3.369 ( 7.357 3.565 0.000) 8.175 3.518 ( 7.929 -10.192 0.000) 12.913 3.732 ( -8.409 2.586 0.000) 8.797 3.871 ( -7.548 -10.380 0.000) 12.834 5.328 ( 6.165 7.816 0.000) 9.955 5.382 ( 6.239 2.362 0.000) 6.671 5.590 ( -4.940 6.375 0.000) 8.065 5.614 ( -3.684 3.864 0.000) 5.339 6.639 ( 2.111 1.830 0.000) 2.794 6.689 ( 2.071 -3.359 0.000) 3.946 6.765 ( -3.341 2.493 0.000) 4.168 6.812 ( -3.142 -2.327 0.000) 3.910 7.173 ( 0.665 4.141 0.000) 4.194 7.191 ( 0.114 3.707 0.000) 3.709 7.242 ( 0.448 -1.509 0.000) 1.574 7.243 ( 0.303 -2.283 0.000) 2.303 7.878 ( 2.376 1.800 0.000) 2.981 7.907 ( 2.638 -1.027 0.000) 2.831 8.010 ( -3.493 2.187 0.000) 4.121 8.040 ( -3.210 -0.528 0.000) 3.253 8.248 ( 2.071 4.153 0.000) 4.640 8.299 ( 4.403 -1.503 0.000) 4.652 8.317 ( -0.938 7.751 0.000) 7.807 8.449 ( -2.316 -6.097 0.000) 6.522 9.077 ( 1.621 4.582 0.000) 4.861 9.187 ( -3.054 5.061 0.000) 5.911 9.187 ( 1.395 -6.006 0.000) 6.166 9.290 ( -3.055 -5.372 0.000) 6.180 9.905 ( 1.211 2.000 0.000) 2.338 9.945 ( -0.545 1.847 0.000) 1.926 9.957 ( 1.448 -3.314 0.000) 3.617 9.993 ( -0.157 -3.274 0.000) 3.278 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -1.353 6.122 0.000) 6.270 2.279 ( 1.353 6.122 0.000) 6.270 2.366 ( -0.462 -2.506 0.000) 2.548 2.366 ( 0.462 -2.506 0.000) 2.548 2.564 ( -1.510 10.145 0.000) 10.257 2.564 ( 1.510 10.145 0.000) 10.257 2.717 ( -2.758 -3.815 0.000) 4.707 2.717 ( 2.758 -3.815 0.000) 4.707 2.820 ( -3.545 -0.303 0.000) 3.558 2.820 ( 3.545 -0.303 0.000) 3.558 2.855 ( -0.523 -2.903 0.000) 2.949 2.855 ( 0.523 -2.903 0.000) 2.949 3.192 ( -0.351 3.144 0.000) 3.164 3.192 ( 0.351 3.144 0.000) 3.164 3.222 ( -0.741 -0.284 0.000) 0.794 3.222 ( 0.741 -0.284 0.000) 0.794 3.543 ( -10.539 3.471 0.000) 11.096 3.543 ( 10.539 3.471 0.000) 11.096 3.696 ( -10.168 -10.733 0.000) 14.785 3.696 ( 10.168 -10.733 0.000) 14.785 5.467 ( -7.628 7.452 0.000) 10.664 5.467 ( 7.628 7.452 0.000) 10.664 5.512 ( -6.741 2.764 0.000) 7.286 5.512 ( 6.741 2.764 0.000) 7.286 6.695 ( -3.663 2.157 0.000) 4.251 6.695 ( 3.663 2.157 0.000) 4.251 6.744 ( -3.590 -2.942 0.000) 4.642 6.744 ( 3.590 -2.942 0.000) 4.642 7.186 ( -0.610 3.896 0.000) 3.943 7.186 ( 0.610 3.896 0.000) 3.943 7.247 ( -0.027 -1.862 0.000) 1.862 7.247 ( 0.027 -1.862 0.000) 1.862 7.938 ( -3.785 2.196 0.000) 4.376 7.938 ( 3.785 2.196 0.000) 4.376 7.971 ( -3.853 -0.847 0.000) 3.945 7.971 ( 3.853 -0.847 0.000) 3.945 8.289 ( -1.963 6.190 0.000) 6.494 8.289 ( 1.963 6.190 0.000) 6.494 8.385 ( -4.293 -4.041 0.000) 5.895 8.385 ( 4.293 -4.041 0.000) 5.895 9.123 ( -3.178 4.700 0.000) 5.674 9.123 ( 3.178 4.700 0.000) 5.674 9.229 ( -2.978 -5.674 0.000) 6.408 9.229 ( 2.978 -5.674 0.000) 6.408 9.929 ( -1.115 2.122 0.000) 2.397 9.929 ( 1.115 2.122 0.000) 2.397 9.983 ( -1.013 -3.458 0.000) 3.603 9.983 ( 1.013 -3.458 0.000) 3.603 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 0.000 0.000 20.598) 20.598 0.652 ( 0.000 0.000 31.118) 31.118 1.081 ( 0.000 0.000 4.895) 4.895 1.086 ( 0.000 0.000 52.919) 52.919 1.732 ( 0.000 0.000 -11.563) 11.563 1.971 ( 0.000 0.000 -0.923) 0.923 2.362 ( 0.000 0.000 -4.145) 4.145 2.443 ( 0.000 0.000 -2.968) 2.968 2.478 ( 0.000 0.000 -5.485) 5.485 2.536 ( 0.000 0.000 1.972) 1.972 2.614 ( 0.000 0.000 -3.308) 3.308 2.697 ( 0.000 0.000 -0.792) 0.792 2.841 ( 0.000 0.000 -0.713) 0.713 2.869 ( 0.000 0.000 5.585) 5.585 2.877 ( 0.000 0.000 4.402) 4.402 3.008 ( 0.000 0.000 -1.116) 1.116 3.192 ( 0.000 0.000 -0.021) 0.021 3.197 ( 0.000 0.000 0.333) 0.333 3.928 ( 0.000 0.000 -1.219) 1.219 3.983 ( 0.000 0.000 6.501) 6.501 4.293 ( 0.000 0.000 -2.759) 2.759 4.896 ( 0.000 0.000 -3.996) 3.996 5.209 ( 0.000 0.000 -0.513) 0.513 5.374 ( 0.000 0.000 -2.369) 2.369 6.565 ( 0.000 0.000 2.451) 2.451 6.677 ( 0.000 0.000 2.466) 2.466 6.690 ( 0.000 0.000 -6.493) 6.493 6.794 ( 0.000 0.000 1.780) 1.780 7.015 ( 0.000 0.000 -2.063) 2.063 7.085 ( 0.000 0.000 -0.685) 0.685 7.147 ( 0.000 0.000 0.613) 0.613 7.270 ( 0.000 0.000 2.267) 2.267 7.272 ( 0.000 0.000 -0.953) 0.953 7.320 ( 0.000 0.000 -0.217) 0.217 7.345 ( 0.000 0.000 -3.467) 3.467 7.411 ( 0.000 0.000 -4.361) 4.361 7.522 ( 0.000 0.000 1.170) 1.170 7.708 ( 0.000 0.000 -0.086) 0.086 7.726 ( 0.000 0.000 2.297) 2.297 7.730 ( 0.000 0.000 2.948) 2.948 7.924 ( 0.000 0.000 2.862) 2.862 8.828 ( 0.000 0.000 -12.438) 12.438 9.598 ( 0.000 0.000 1.511) 1.511 9.625 ( 0.000 0.000 0.299) 0.299 10.052 ( 0.000 0.000 6.859) 6.859 10.376 ( 0.000 0.000 -1.739) 1.739 10.606 ( 0.000 0.000 -2.629) 2.629 11.126 ( 0.000 0.000 -12.264) 12.264 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 12.108 0.000 14.822) 19.139 0.646 ( 11.527 0.000 19.443) 22.604 1.007 ( -7.584 0.000 5.832) 9.568 1.468 ( -5.067 0.000 7.215) 8.816 1.510 ( 15.096 0.000 23.191) 27.671 2.073 ( 7.126 0.000 -4.231) 8.288 2.302 ( -5.973 0.000 -4.105) 7.248 2.440 ( -10.061 0.000 7.963) 12.831 2.451 ( 0.689 0.000 -3.505) 3.572 2.475 ( -0.365 0.000 -5.247) 5.260 2.626 ( 1.217 0.000 -2.807) 3.060 2.685 ( -1.216 0.000 -1.054) 1.609 2.871 ( 0.128 0.000 5.415) 5.416 2.876 ( -0.095 0.000 4.587) 4.588 2.895 ( 5.264 0.000 0.396) 5.279 3.046 ( -0.214 0.000 2.738) 2.746 3.208 ( 1.377 0.000 0.203) 1.392 3.363 ( 14.062 0.000 -9.109) 16.754 3.540 ( -20.667 0.000 6.488) 21.662 3.927 ( -12.636 0.000 -8.627) 15.300 4.574 ( 20.405 0.000 3.300) 20.671 5.004 ( 9.214 0.000 -4.252) 10.148 5.139 ( -7.288 0.000 0.213) 7.291 5.332 ( -4.831 0.000 -3.119) 5.750 6.620 ( 4.009 0.000 -4.500) 6.027 6.691 ( 1.472 0.000 2.396) 2.812 6.697 ( 0.263 0.000 -6.884) 6.889 6.773 ( -2.022 0.000 1.928) 2.794 7.016 ( 0.566 0.000 -1.347) 1.461 7.081 ( -0.826 0.000 -0.465) 0.948 7.167 ( 1.952 0.000 0.372) 1.987 7.252 ( -1.828 0.000 -0.716) 1.963 7.267 ( -0.199 0.000 2.098) 2.107 7.305 ( -1.724 0.000 0.995) 1.991 7.359 ( 1.198 0.000 -3.631) 3.823 7.404 ( -0.808 0.000 -4.260) 4.336 7.511 ( -1.231 0.000 2.314) 2.621 7.537 ( -5.188 0.000 4.065) 6.591 7.727 ( 0.068 0.000 2.397) 2.398 7.730 ( -0.037 0.000 2.838) 2.838 8.225 ( 16.752 0.000 -6.540) 17.984 8.696 ( -10.708 0.000 -5.213) 11.909 9.595 ( 0.190 0.000 1.372) 1.385 9.622 ( -0.542 0.000 0.537) 0.763 10.057 ( 0.643 0.000 7.418) 7.446 10.164 ( -7.748 0.000 11.216) 13.632 10.904 ( 13.183 0.000 -20.357) 24.253 11.112 ( -1.606 0.000 -13.487) 13.583 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -12.545 0.000 8.856) 15.356 0.811 ( 12.545 0.000 8.856) 15.356 1.035 ( -24.856 0.000 -2.098) 24.945 1.035 ( 24.856 0.000 -2.098) 24.945 2.054 ( -24.587 0.000 20.671) 32.122 2.054 ( 24.587 0.000 20.671) 32.122 2.216 ( -8.585 0.000 -2.384) 8.910 2.216 ( 8.585 0.000 -2.384) 8.910 2.465 ( -0.704 0.000 -4.526) 4.581 2.465 ( 0.704 0.000 -4.526) 4.581 2.656 ( -1.743 0.000 -1.810) 2.513 2.656 ( 1.743 0.000 -1.810) 2.513 2.873 ( -0.157 0.000 5.009) 5.011 2.873 ( 0.157 0.000 5.009) 5.011 2.998 ( -4.649 0.000 3.564) 5.857 2.998 ( 4.649 0.000 3.564) 5.857 3.275 ( -7.199 0.000 1.271) 7.310 3.275 ( 7.199 0.000 1.271) 7.310 3.646 ( -15.547 0.000 -9.451) 18.194 3.646 ( 15.547 0.000 -9.451) 18.194 4.918 ( -15.080 0.000 1.455) 15.150 4.918 ( 15.080 0.000 1.455) 15.150 5.196 ( -9.156 0.000 -3.331) 9.744 5.196 ( 9.156 0.000 -3.331) 9.744 6.681 ( -2.150 0.000 -7.442) 7.746 6.681 ( 2.150 0.000 -7.442) 7.746 6.729 ( -2.377 0.000 2.196) 3.237 6.729 ( 2.377 0.000 2.196) 3.237 7.047 ( -2.396 0.000 -0.250) 2.409 7.047 ( 2.396 0.000 -0.250) 2.409 7.210 ( -2.438 0.000 -0.164) 2.443 7.210 ( 2.438 0.000 -0.164) 2.443 7.273 ( -1.112 0.000 1.904) 2.205 7.273 ( 1.112 0.000 1.904) 2.205 7.383 ( -1.278 0.000 -3.982) 4.182 7.383 ( 1.278 0.000 -3.982) 4.182 7.500 ( -0.682 0.000 2.303) 2.402 7.500 ( 0.682 0.000 2.303) 2.402 7.728 ( -0.081 0.000 2.612) 2.613 7.728 ( 0.081 0.000 2.612) 2.613 8.485 ( -11.804 0.000 -4.438) 12.610 8.485 ( 11.804 0.000 -4.438) 12.610 9.607 ( -0.932 0.000 0.900) 1.296 9.607 ( 0.932 0.000 0.900) 1.296 10.082 ( -2.242 0.000 9.159) 9.429 10.082 ( 2.242 0.000 9.159) 9.429 11.057 ( -4.637 0.000 -17.058) 17.676 11.057 ( 4.637 0.000 -17.058) 17.676 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 0.000 10.518 23.678) 25.909 0.858 ( 0.000 18.809 21.569) 28.618 1.388 ( 0.000 33.336 31.637) 45.958 1.471 ( 0.000 31.719 4.250) 32.003 1.792 ( 0.000 6.419 -10.366) 12.193 1.946 ( 0.000 -1.615 -0.706) 1.763 2.344 ( 0.000 -5.690 2.613) 6.262 2.362 ( 0.000 0.356 -3.568) 3.586 2.562 ( 0.000 6.848 -6.126) 9.188 2.602 ( 0.000 3.963 -7.527) 8.507 2.720 ( 0.000 8.370 1.737) 8.548 2.794 ( 0.000 -2.606 0.191) 2.613 2.810 ( 0.000 9.055 2.537) 9.403 2.930 ( 0.000 5.311 0.710) 5.358 2.944 ( 0.000 5.328 5.480) 7.643 3.002 ( 0.000 0.043 -0.178) 0.183 3.192 ( 0.000 0.063 0.780) 0.783 3.212 ( 0.000 3.159 -0.594) 3.215 3.949 ( 0.000 -3.005 6.722) 7.363 3.953 ( 0.000 3.715 -3.003) 4.777 4.306 ( 0.000 2.155 -1.272) 2.502 4.852 ( 0.000 -3.697 -2.978) 4.747 5.160 ( 0.000 -4.750 0.058) 4.750 5.345 ( 0.000 -2.948 -2.747) 4.030 6.557 ( 0.000 -0.392 1.939) 1.978 6.571 ( 0.000 -3.080 -4.051) 5.089 6.847 ( 0.000 -0.856 3.548) 3.650 6.971 ( 0.000 7.712 -0.585) 7.734 7.029 ( 0.000 9.195 -1.145) 9.266 7.068 ( 0.000 -1.540 -0.642) 1.668 7.181 ( 0.000 4.697 -1.285) 4.870 7.313 ( 0.000 -0.113 -0.660) 0.670 7.317 ( 0.000 4.107 -1.015) 4.231 7.351 ( 0.000 4.616 -2.496) 5.247 7.438 ( 0.000 8.470 -2.827) 8.930 7.491 ( 0.000 6.546 -1.917) 6.821 7.520 ( 0.000 0.349 1.258) 1.306 7.768 ( 0.000 5.103 1.288) 5.263 7.781 ( 0.000 2.383 0.924) 2.556 7.956 ( 0.000 6.360 3.727) 7.372 8.162 ( 0.000 26.788 -20.393) 33.667 8.859 ( 0.000 2.965 -16.146) 16.416 9.588 ( 0.000 -0.905 0.656) 1.118 9.596 ( 0.000 -2.868 -0.161) 2.873 10.022 ( 0.000 -2.781 6.288) 6.875 10.332 ( 0.000 -17.273 10.923) 20.437 10.354 ( 0.000 -2.211 -1.679) 2.776 11.015 ( 0.000 -10.567 -10.842) 15.140 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 9.851 11.275 14.787) 21.043 1.032 ( 10.435 26.397 11.591) 30.660 1.395 ( -6.004 31.313 5.227) 32.309 1.500 ( -14.616 4.203 0.458) 15.215 1.667 ( 15.235 19.125 23.073) 33.619 2.063 ( 7.044 0.005 -3.991) 8.096 2.295 ( -4.557 -3.392 -0.569) 5.709 2.312 ( -6.587 -0.784 3.679) 7.585 2.561 ( 0.013 6.753 -6.255) 9.205 2.585 ( -1.367 5.590 -6.868) 8.961 2.729 ( 1.197 8.734 1.233) 8.901 2.788 ( -0.982 6.590 0.861) 6.718 2.848 ( 3.656 0.066 4.216) 5.581 2.915 ( -1.189 3.737 5.610) 6.845 2.940 ( 1.522 4.929 0.387) 5.173 3.040 ( 0.415 0.625 3.135) 3.224 3.191 ( 1.693 -1.140 1.023) 2.283 3.369 ( 12.975 1.679 -6.363) 14.548 3.580 ( -20.044 4.891 6.061) 21.504 3.917 ( -11.698 -0.404 -8.281) 14.338 4.562 ( 18.995 -0.646 3.179) 19.270 4.959 ( 9.401 -3.840 -3.395) 10.707 5.091 ( -7.265 -4.463 0.610) 8.548 5.292 ( -5.549 -3.476 -2.858) 7.144 6.561 ( 0.718 -2.434 -0.111) 2.540 6.583 ( 0.538 -3.306 -2.972) 4.478 6.859 ( 1.347 2.032 2.007) 3.158 6.948 ( -2.211 6.402 -1.108) 6.863 7.045 ( 1.343 7.358 -0.507) 7.496 7.070 ( 0.087 -0.327 -0.336) 0.477 7.186 ( 0.807 4.101 -1.040) 4.307 7.277 ( -2.886 4.924 -1.529) 5.909 7.328 ( 1.600 2.581 -1.075) 3.221 7.384 ( 1.562 4.311 -2.114) 5.049 7.434 ( -0.195 6.677 -2.751) 7.224 7.484 ( -0.869 7.238 -1.223) 7.391 7.520 ( 0.542 1.664 1.261) 2.157 7.691 ( -8.670 8.689 0.145) 12.275 7.786 ( 0.474 4.816 1.645) 5.112 7.828 ( -3.477 11.484 1.851) 12.141 8.344 ( 11.315 11.435 -11.143) 19.569 8.734 ( -10.222 3.945 -8.598) 13.928 9.577 ( -0.206 -1.733 0.780) 1.912 9.596 ( -0.427 -2.510 0.222) 2.555 10.028 ( 0.639 -2.759 6.723) 7.295 10.119 ( -6.197 -4.201 10.370) 12.790 10.701 ( 15.990 -14.706 -10.715) 24.224 10.994 ( -2.425 -11.062 -11.591) 16.205 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -19.346 8.367 0.410) 21.082 1.078 ( 19.346 8.367 0.410) 21.082 1.249 ( -7.077 28.814 5.604) 30.195 1.249 ( 7.077 28.814 5.604) 30.195 2.057 ( -18.771 3.117 19.405) 27.178 2.057 ( 18.771 3.117 19.405) 27.178 2.194 ( -5.748 0.115 -4.466) 7.280 2.194 ( 5.748 0.115 -4.466) 7.280 2.565 ( -0.553 6.703 -6.468) 9.331 2.565 ( 0.553 6.703 -6.468) 9.331 2.760 ( -1.797 8.655 0.882) 8.883 2.760 ( 1.797 8.655 0.882) 8.883 2.895 ( -1.209 1.908 6.036) 6.445 2.895 ( 1.209 1.908 6.036) 6.445 3.004 ( -3.967 1.655 2.591) 5.019 3.004 ( 3.967 1.655 2.591) 5.019 3.283 ( -9.418 1.939 2.014) 9.824 3.283 ( 9.418 1.939 2.014) 9.824 3.650 ( -15.111 1.287 -8.327) 17.301 3.650 ( 15.111 1.287 -8.327) 17.301 4.885 ( -14.391 -3.091 1.884) 14.840 4.885 ( 14.391 -3.091 1.884) 14.840 5.147 ( -9.417 -4.051 -3.160) 10.727 5.147 ( 9.417 -4.051 -3.160) 10.727 6.579 ( -0.867 -3.844 -1.849) 4.353 6.579 ( 0.867 -3.844 -1.849) 4.353 6.899 ( -2.699 5.297 -0.471) 5.964 6.899 ( 2.699 5.297 -0.471) 5.964 7.066 ( -0.663 2.190 -0.065) 2.289 7.066 ( 0.663 2.190 -0.065) 2.289 7.220 ( -2.787 5.515 -1.183) 6.292 7.220 ( 2.787 5.515 -1.183) 6.292 7.369 ( -2.384 5.063 -2.347) 6.069 7.369 ( 2.384 5.063 -2.347) 6.069 7.455 ( -1.938 5.066 -0.988) 5.513 7.455 ( 1.938 5.066 -0.988) 5.513 7.561 ( -4.207 7.706 1.352) 8.883 7.561 ( 4.207 7.706 1.352) 8.883 7.798 ( -0.857 6.714 1.814) 7.007 7.798 ( 0.857 6.714 1.814) 7.007 8.541 ( -10.059 5.729 -6.481) 13.267 8.541 ( 10.059 5.729 -6.481) 13.267 9.584 ( -0.693 -2.270 0.511) 2.428 9.584 ( 0.693 -2.270 0.511) 2.428 10.051 ( -1.981 -2.913 8.138) 8.868 10.051 ( 1.981 -2.913 8.138) 8.868 10.911 ( -6.965 -12.810 -13.122) 19.617 10.911 ( 6.965 -12.810 -13.122) 19.617 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.000 18.808 12.570) 22.622 1.167 ( 0.000 16.198 21.267) 26.733 1.893 ( 0.000 10.715 -6.478) 12.522 1.935 ( 0.000 1.366 -1.477) 2.012 2.077 ( 0.000 23.880 3.123) 24.084 2.168 ( 0.000 27.001 7.803) 28.106 2.282 ( 0.000 2.587 6.914) 7.382 2.402 ( 0.000 4.984 -1.727) 5.275 2.669 ( 0.000 1.826 -6.360) 6.617 2.712 ( 0.000 7.984 -5.437) 9.660 2.772 ( 0.000 1.827 0.106) 1.830 2.886 ( 0.000 8.073 -0.450) 8.085 2.923 ( 0.000 -0.146 4.000) 4.003 2.986 ( 0.000 4.779 1.646) 5.055 3.072 ( 0.000 3.013 -1.475) 3.354 3.081 ( 0.000 9.565 6.997) 11.852 3.194 ( 0.000 0.327 2.134) 2.159 3.427 ( 0.000 18.964 -3.392) 19.265 3.884 ( 0.000 -3.120 6.685) 7.378 4.018 ( 0.000 0.766 -8.382) 8.417 4.436 ( 0.000 12.192 1.149) 12.246 4.790 ( 0.000 -1.340 -1.133) 1.755 5.032 ( 0.000 -7.772 1.632) 7.941 5.255 ( 0.000 -6.243 -3.395) 7.107 6.524 ( 0.000 -1.346 -1.157) 1.775 6.561 ( 0.000 0.935 0.835) 1.253 6.835 ( 0.000 0.772 1.863) 2.016 6.962 ( 0.000 -2.156 -2.714) 3.466 7.024 ( 0.000 -2.809 -0.666) 2.887 7.216 ( 0.000 -0.391 2.033) 2.070 7.245 ( 0.000 0.728 0.856) 1.124 7.403 ( 0.000 6.706 -2.427) 7.131 7.450 ( 0.000 7.456 -1.853) 7.683 7.472 ( 0.000 7.148 -4.764) 8.591 7.556 ( 0.000 10.821 1.086) 10.875 7.621 ( 0.000 9.236 0.427) 9.246 7.645 ( 0.000 7.191 0.860) 7.242 7.788 ( 0.000 1.303 2.333) 2.672 7.869 ( 0.000 4.346 0.924) 4.443 8.223 ( 0.000 18.225 1.943) 18.328 8.539 ( 0.000 13.624 -12.570) 18.537 8.913 ( 0.000 1.418 -14.858) 14.925 9.520 ( 0.000 -4.480 -1.270) 4.657 9.566 ( 0.000 -1.363 -1.687) 2.168 9.955 ( 0.000 -3.576 4.734) 5.933 10.079 ( 0.000 -8.654 8.660) 12.243 10.292 ( 0.000 -3.970 -1.562) 4.266 10.751 ( 0.000 -14.987 -7.611) 16.809 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 6.569 19.265 8.145) 21.924 1.365 ( 15.339 12.303 17.438) 26.282 1.637 ( -17.376 9.144 -4.067) 20.052 1.928 ( -11.339 14.672 5.823) 19.436 2.099 ( 6.775 6.969 -2.966) 10.162 2.205 ( 3.073 21.970 6.625) 23.152 2.303 ( 0.334 8.369 3.954) 9.262 2.376 ( -2.354 8.055 2.459) 8.745 2.675 ( 0.439 3.302 -5.659) 6.567 2.699 ( -0.920 6.552 -5.131) 8.373 2.811 ( 3.399 1.987 0.210) 3.943 2.890 ( 0.118 6.927 0.018) 6.928 2.947 ( 2.164 2.017 3.226) 4.377 2.993 ( 1.225 4.289 1.485) 4.702 3.013 ( -2.123 6.297 4.028) 7.771 3.152 ( -4.020 2.166 1.381) 4.771 3.207 ( 8.442 7.920 1.887) 11.728 3.481 ( 3.663 11.087 -4.512) 12.518 3.728 ( -10.278 8.907 5.898) 14.824 3.932 ( -8.895 1.969 -7.610) 11.871 4.580 ( 12.091 3.618 2.431) 12.853 4.882 ( 7.811 -3.170 -2.217) 8.716 4.978 ( -5.268 -6.361 1.853) 8.465 5.203 ( -5.363 -5.505 -3.414) 8.410 6.528 ( 0.383 -1.075 -1.045) 1.548 6.550 ( -0.844 0.319 0.380) 0.979 6.873 ( 3.379 0.912 1.105) 3.670 6.955 ( -0.728 -1.583 -2.450) 3.006 7.028 ( 0.677 -2.662 -0.252) 2.758 7.146 ( -4.622 -0.272 2.015) 5.050 7.303 ( 3.327 1.050 0.731) 3.564 7.396 ( -1.222 5.059 -0.960) 5.292 7.434 ( -0.149 8.556 -3.741) 9.340 7.474 ( -0.785 3.899 -2.786) 4.856 7.567 ( 1.310 11.148 0.013) 11.225 7.623 ( -0.850 7.551 -0.157) 7.600 7.662 ( 2.543 8.886 1.436) 9.354 7.769 ( -1.906 2.806 1.914) 3.894 7.907 ( 3.898 7.686 0.691) 8.646 8.149 ( -6.778 18.843 0.032) 20.026 8.585 ( 4.380 11.554 -9.668) 15.689 8.829 ( -7.388 4.318 -10.842) 13.812 9.519 ( -0.047 -4.100 -1.073) 4.239 9.544 ( -1.495 -2.408 -0.640) 2.906 9.961 ( 0.672 -3.530 4.955) 6.121 10.023 ( -3.053 -4.829 7.260) 9.239 10.451 ( 11.528 -10.363 -4.859) 16.245 10.726 ( -2.835 -14.808 -7.795) 16.973 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -16.738 14.247 -0.154) 21.981 1.301 ( 16.738 14.247 -0.154) 21.981 1.666 ( -15.623 11.547 11.696) 22.676 1.666 ( 15.623 11.547 11.696) 22.676 2.208 ( -3.975 5.562 -3.136) 7.521 2.208 ( 3.975 5.562 -3.136) 7.521 2.323 ( -2.952 16.342 8.123) 18.487 2.323 ( 2.952 16.342 8.123) 18.487 2.684 ( -0.619 5.066 -5.087) 7.206 2.684 ( 0.619 5.066 -5.087) 7.206 2.870 ( -2.341 3.057 0.482) 3.881 2.870 ( 2.341 3.057 0.482) 3.881 2.982 ( -1.474 6.646 4.084) 7.939 2.982 ( 1.474 6.646 4.084) 7.939 3.059 ( -5.216 2.773 0.423) 5.923 3.059 ( 5.216 2.773 0.423) 5.923 3.389 ( -10.614 8.441 1.655) 13.662 3.389 ( 10.614 8.441 1.655) 13.662 3.743 ( -9.359 8.887 -3.976) 13.505 3.743 ( 9.359 8.887 -3.976) 13.505 4.807 ( -10.812 -4.283 2.322) 11.859 4.807 ( 10.812 -4.283 2.322) 11.859 5.064 ( -8.820 -3.796 -3.114) 10.095 5.064 ( 8.820 -3.796 -3.114) 10.095 6.537 ( -0.582 -0.533 -0.524) 0.947 6.537 ( 0.582 -0.533 -0.524) 0.947 6.931 ( -2.157 0.002 -1.195) 2.466 6.931 ( 2.157 0.002 -1.195) 2.466 7.065 ( -3.445 -1.496 1.465) 4.031 7.065 ( 3.445 -1.496 1.465) 4.031 7.359 ( -2.547 3.040 -0.119) 3.968 7.359 ( 2.547 3.040 -0.119) 3.968 7.450 ( -1.416 5.630 -2.892) 6.485 7.450 ( 1.416 5.630 -2.892) 6.485 7.597 ( -1.642 8.521 -0.252) 8.681 7.597 ( 1.642 8.521 -0.252) 8.681 7.720 ( -3.115 6.536 1.390) 7.373 7.720 ( 3.115 6.536 1.390) 7.373 8.011 ( -6.975 15.053 -0.162) 16.591 8.011 ( 6.975 15.053 -0.162) 16.591 8.690 ( -6.635 8.197 -7.727) 13.074 8.690 ( 6.635 8.197 -7.727) 13.074 9.524 ( -0.634 -3.557 -0.632) 3.668 9.524 ( 0.634 -3.557 -0.632) 3.668 9.982 ( -1.514 -3.661 5.763) 6.993 9.982 ( 1.514 -3.661 5.763) 6.993 10.633 ( -7.246 -13.909 -7.607) 17.431 10.633 ( 7.246 -13.909 -7.607) 17.431 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 0.000 20.772 5.375) 21.456 1.519 ( 0.000 18.855 11.282) 21.972 1.992 ( 0.000 4.558 -2.396) 5.150 2.065 ( 0.000 6.842 -4.980) 8.463 2.323 ( 0.000 4.620 1.169) 4.765 2.323 ( 0.000 7.402 2.108) 7.696 2.536 ( 0.000 5.868 6.619) 8.846 2.584 ( 0.000 10.216 -0.793) 10.247 2.669 ( 0.000 -0.771 -4.479) 4.545 2.844 ( 0.000 4.377 -0.900) 4.468 2.853 ( 0.000 4.054 1.797) 4.435 2.876 ( 0.000 -2.993 4.397) 5.318 3.035 ( 0.000 6.040 -1.767) 6.293 3.089 ( 0.000 2.148 -2.529) 3.318 3.150 ( 0.000 7.059 1.229) 7.165 3.156 ( 0.000 -1.258 1.837) 2.226 3.443 ( 0.000 21.962 4.639) 22.447 3.736 ( 0.000 0.381 1.649) 1.692 3.912 ( 0.000 14.412 -1.848) 14.530 3.979 ( 0.000 -3.323 -5.733) 6.626 4.742 ( 0.000 14.224 -0.834) 14.248 4.856 ( 0.000 8.974 0.697) 9.001 4.892 ( 0.000 -2.562 3.603) 4.421 5.111 ( 0.000 -7.388 -3.321) 8.100 6.523 ( 0.000 1.096 0.355) 1.152 6.596 ( 0.000 2.490 -0.319) 2.511 6.875 ( 0.000 2.933 -0.409) 2.961 6.904 ( 0.000 -3.710 -3.035) 4.793 6.964 ( 0.000 -2.888 -1.311) 3.172 7.189 ( 0.000 -2.044 2.953) 3.591 7.233 ( 0.000 -0.704 0.376) 0.798 7.421 ( 0.000 -3.155 1.780) 3.623 7.557 ( 0.000 6.700 -3.839) 7.721 7.619 ( 0.000 7.525 -5.469) 9.302 7.745 ( 0.000 4.805 -1.479) 5.027 7.796 ( 0.000 8.548 2.175) 8.820 7.833 ( 0.000 9.397 1.320) 9.490 7.938 ( 0.000 2.976 0.263) 2.988 7.953 ( 0.000 14.029 3.773) 14.527 8.596 ( 0.000 18.061 0.928) 18.085 8.745 ( 0.000 6.117 -9.104) 10.968 8.909 ( 0.000 -0.451 -5.001) 5.021 9.430 ( 0.000 -4.488 -2.386) 5.083 9.531 ( 0.000 -2.182 -3.129) 3.815 9.898 ( 0.000 -2.005 2.498) 3.203 9.963 ( 0.000 -3.576 4.463) 5.719 10.202 ( 0.000 -5.050 -1.503) 5.269 10.462 ( 0.000 -13.483 -4.230) 14.131 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 3.945 20.593 3.571) 21.270 1.627 ( 9.259 14.541 11.152) 20.531 1.834 ( -11.495 10.267 -3.036) 15.709 2.048 ( -7.380 3.649 4.314) 9.295 2.273 ( 1.386 9.393 -2.197) 9.745 2.363 ( -0.231 4.981 -1.154) 5.118 2.537 ( 0.140 4.781 4.825) 6.794 2.563 ( -1.225 6.712 1.154) 6.920 2.719 ( 3.219 2.429 -2.171) 4.580 2.800 ( -2.114 3.802 1.013) 4.466 2.880 ( 1.662 1.307 -0.154) 2.120 2.913 ( 2.092 -0.283 0.870) 2.283 3.042 ( 1.234 5.645 -1.377) 5.940 3.102 ( 0.966 2.597 -1.711) 3.257 3.145 ( -0.737 3.631 1.070) 3.857 3.149 ( -0.715 3.094 1.115) 3.366 3.484 ( 4.235 17.399 1.859) 18.003 3.700 ( -4.042 5.710 0.622) 7.024 3.905 ( 0.773 8.853 -0.384) 8.895 3.989 ( -0.292 4.790 -2.747) 5.530 4.734 ( 0.071 10.706 0.364) 10.712 4.821 ( -2.993 -2.780 1.180) 4.252 4.943 ( 4.252 6.301 0.873) 7.652 5.090 ( -2.261 -4.774 -2.892) 6.022 6.531 ( 0.829 1.285 0.162) 1.538 6.579 ( -1.460 2.308 -0.330) 2.751 6.900 ( 1.468 0.507 -1.493) 2.154 6.909 ( 0.528 -2.567 -2.582) 3.679 6.975 ( 1.776 -1.869 -0.401) 2.609 7.129 ( -4.340 -0.862 1.982) 4.848 7.284 ( 3.434 -1.682 1.209) 4.010 7.399 ( -2.110 -2.845 1.586) 3.881 7.567 ( 1.041 6.979 -3.843) 8.035 7.614 ( -0.619 7.754 -5.225) 9.371 7.736 ( -0.535 5.390 -1.064) 5.520 7.781 ( -3.626 7.420 0.331) 8.265 7.818 ( 1.874 8.027 2.666) 8.663 7.884 ( -1.524 7.205 4.090) 8.424 8.107 ( 10.165 11.352 -0.233) 15.240 8.505 ( -8.424 15.138 -1.471) 17.387 8.780 ( 2.752 7.598 -6.170) 10.167 8.884 ( -2.337 2.226 -4.464) 5.508 9.434 ( 0.506 -4.234 -2.287) 4.839 9.497 ( -2.788 -2.454 -2.421) 4.434 9.903 ( 0.604 -2.104 2.811) 3.563 9.946 ( -1.393 -2.755 4.078) 5.115 10.275 ( 6.203 -7.772 -2.767) 10.322 10.446 ( -1.887 -12.913 -4.278) 13.734 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -10.082 16.035 0.157) 18.942 1.608 ( 10.082 16.035 0.157) 18.942 1.846 ( -11.944 8.832 9.422) 17.591 1.846 ( 11.944 8.832 9.422) 17.591 2.328 ( -3.051 6.987 -3.392) 8.345 2.328 ( 3.051 6.987 -3.392) 8.345 2.545 ( -0.708 4.591 3.268) 5.680 2.545 ( 0.708 4.591 3.268) 5.680 2.765 ( -1.871 3.606 0.712) 4.124 2.765 ( 1.871 3.606 0.712) 4.124 2.916 ( -1.520 0.586 -1.422) 2.162 2.916 ( 1.520 0.586 -1.422) 2.162 3.089 ( -2.851 2.306 -1.092) 3.826 3.089 ( 2.851 2.306 -1.092) 3.826 3.136 ( -0.600 5.206 0.453) 5.260 3.136 ( 0.600 5.206 0.453) 5.260 3.592 ( -6.577 10.850 -0.513) 12.698 3.592 ( 6.577 10.850 -0.513) 12.698 3.951 ( -3.205 9.396 0.776) 9.958 3.951 ( 3.205 9.396 0.776) 9.958 4.762 ( -2.774 1.334 0.898) 3.206 4.762 ( 2.774 1.334 0.898) 3.206 5.027 ( -4.210 1.365 -1.514) 4.677 5.027 ( 4.210 1.365 -1.514) 4.677 6.551 ( -1.299 1.783 -0.185) 2.214 6.551 ( 1.299 1.783 -0.185) 2.214 6.913 ( -0.327 -2.069 -2.566) 3.312 6.913 ( 0.327 -2.069 -2.566) 3.312 7.042 ( -4.645 -0.186 1.349) 4.840 7.042 ( 4.645 -0.186 1.349) 4.840 7.348 ( -3.190 -2.267 1.347) 4.139 7.348 ( 3.190 -2.267 1.347) 4.139 7.593 ( -1.471 7.663 -4.317) 8.918 7.593 ( 1.471 7.663 -4.317) 8.918 7.737 ( -0.936 5.793 -0.308) 5.876 7.737 ( 0.936 5.793 -0.308) 5.876 7.854 ( -1.773 7.558 3.505) 8.518 7.854 ( 1.773 7.558 3.505) 8.518 8.313 ( -11.195 13.014 -1.613) 17.243 8.313 ( 11.195 13.014 -1.613) 17.243 8.833 ( -2.866 6.190 -4.429) 8.133 8.833 ( 2.866 6.190 -4.429) 8.133 9.453 ( -1.634 -3.460 -2.105) 4.368 9.453 ( 1.634 -3.460 -2.105) 4.368 9.920 ( -1.180 -2.270 3.414) 4.266 9.920 ( 1.180 -2.270 3.414) 4.266 10.385 ( -4.708 -11.095 -4.044) 12.713 10.385 ( 4.708 -11.095 -4.044) 12.713 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 17.567 1.397) 17.622 1.890 ( 0.000 18.224 4.002) 18.658 2.115 ( 0.000 8.016 -2.993) 8.557 2.184 ( 0.000 5.856 -0.922) 5.928 2.372 ( 0.000 0.907 1.647) 1.880 2.485 ( 0.000 4.702 -0.775) 4.766 2.591 ( 0.000 3.577 2.300) 4.253 2.657 ( 0.000 0.237 -1.126) 1.150 2.741 ( 0.000 5.291 -2.715) 5.946 2.818 ( 0.000 -2.006 4.754) 5.160 2.903 ( 0.000 1.195 2.114) 2.428 2.908 ( 0.000 2.929 3.131) 4.288 3.115 ( 0.000 0.941 -3.483) 3.608 3.122 ( 0.000 2.068 -0.414) 2.109 3.130 ( 0.000 0.023 -0.551) 0.552 3.255 ( 0.000 2.750 0.840) 2.876 3.599 ( 0.000 -10.218 2.729) 10.577 3.670 ( 0.000 -2.586 -7.518) 7.950 3.995 ( 0.000 4.156 7.540) 8.609 4.176 ( 0.000 5.769 -5.288) 7.826 4.804 ( 0.000 5.352 0.309) 5.361 5.021 ( 0.000 2.708 -2.764) 3.869 5.140 ( 0.000 15.986 1.760) 16.083 5.156 ( 0.000 17.742 0.851) 17.763 6.557 ( 0.000 2.077 0.590) 2.159 6.656 ( 0.000 3.465 -1.086) 3.631 6.820 ( 0.000 -4.633 -2.876) 5.453 6.889 ( 0.000 -2.117 -2.462) 3.247 6.973 ( 0.000 4.427 -1.162) 4.576 7.148 ( 0.000 -1.753 3.243) 3.686 7.231 ( 0.000 0.434 -0.246) 0.499 7.347 ( 0.000 -3.789 1.881) 4.230 7.684 ( 0.000 5.736 -3.479) 6.709 7.759 ( 0.000 6.197 -5.455) 8.255 7.857 ( 0.000 6.169 -2.972) 6.847 7.959 ( 0.000 7.394 1.240) 7.497 7.994 ( 0.000 3.293 -0.372) 3.314 7.996 ( 0.000 7.755 2.759) 8.231 8.176 ( 0.000 7.707 3.238) 8.360 8.730 ( 0.000 -5.412 -4.603) 7.105 8.901 ( 0.000 12.412 0.093) 12.413 8.954 ( 0.000 3.229 -1.044) 3.393 9.347 ( 0.000 -3.901 -2.709) 4.750 9.478 ( 0.000 -3.158 -2.770) 4.201 9.873 ( 0.000 -0.655 0.968) 1.169 9.927 ( 0.000 -0.333 2.289) 2.313 10.098 ( 0.000 -5.240 -1.480) 5.445 10.234 ( 0.000 -9.516 -1.589) 9.648 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 1.690 16.863 1.411) 17.006 1.931 ( 3.955 15.938 4.016) 16.905 2.037 ( -6.470 10.489 -1.227) 12.384 2.140 ( -4.393 5.838 1.938) 7.558 2.398 ( 2.309 2.250 -0.799) 3.322 2.475 ( -1.091 3.754 -0.950) 4.023 2.590 ( 0.210 4.593 1.402) 4.807 2.637 ( -1.616 2.574 -0.705) 3.120 2.782 ( 3.077 3.042 -3.105) 5.325 2.841 ( 2.051 -0.796 3.025) 3.740 2.877 ( -1.337 2.346 4.057) 4.874 2.923 ( -0.017 -0.178 0.264) 0.318 3.107 ( -0.058 -0.734 -1.955) 2.089 3.118 ( -0.303 2.068 -0.873) 2.265 3.157 ( 1.905 1.208 -0.962) 2.452 3.238 ( -1.824 1.896 -0.059) 2.632 3.595 ( 2.530 -6.425 1.722) 7.116 3.731 ( 2.524 -1.458 -2.903) 4.114 4.000 ( 0.567 -1.086 4.970) 5.119 4.117 ( -5.056 3.743 -4.492) 7.730 4.825 ( 2.682 8.121 -0.191) 8.554 5.014 ( -3.719 12.475 -1.428) 13.095 5.106 ( 1.318 9.965 1.100) 10.112 5.180 ( 0.145 14.847 0.691) 14.864 6.568 ( 1.162 2.222 0.370) 2.534 6.635 ( -1.871 3.238 -0.795) 3.823 6.829 ( 0.984 -4.318 -2.882) 5.284 6.878 ( -1.046 -2.592 -2.611) 3.825 7.003 ( 2.760 3.814 -0.617) 4.748 7.119 ( -2.571 -0.149 2.052) 3.293 7.256 ( 2.169 -0.876 0.606) 2.417 7.333 ( -1.359 -3.353 1.708) 4.001 7.699 ( 1.558 5.983 -3.626) 7.167 7.760 ( -0.151 6.666 -5.580) 8.694 7.849 ( -0.693 5.825 -2.753) 6.480 7.894 ( -4.681 4.403 -0.820) 6.478 7.980 ( 1.328 8.196 3.135) 8.875 8.024 ( -0.152 7.201 3.795) 8.142 8.280 ( 9.084 5.448 0.643) 10.612 8.647 ( -7.714 -1.051 -2.977) 8.335 8.923 ( 1.528 8.401 -0.907) 8.587 8.954 ( -0.115 3.760 -1.100) 3.919 9.355 ( 0.936 -3.816 -2.767) 4.805 9.443 ( -3.130 -3.101 -2.758) 5.198 9.879 ( 0.626 -0.474 1.327) 1.542 9.917 ( -0.955 -0.242 2.185) 2.397 10.136 ( 3.320 -6.342 -1.783) 7.377 10.227 ( -0.843 -9.146 -1.743) 9.348 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -4.993 14.111 1.043) 15.005 1.912 ( 4.993 14.111 1.043) 15.005 2.037 ( -5.845 10.687 3.511) 12.677 2.037 ( 5.845 10.687 3.511) 12.677 2.443 ( -2.219 2.726 -1.536) 3.836 2.443 ( 2.219 2.726 -1.536) 3.836 2.606 ( -1.427 4.455 -0.045) 4.679 2.606 ( 1.427 4.455 -0.045) 4.679 2.833 ( -2.209 3.180 1.604) 4.191 2.833 ( 2.209 3.180 1.604) 4.191 2.898 ( -2.353 -1.776 -0.765) 3.046 2.898 ( 2.353 -1.776 -0.765) 3.046 3.112 ( -0.379 0.229 -0.832) 0.943 3.112 ( 0.379 0.229 -0.832) 0.943 3.196 ( -2.270 1.392 -0.987) 2.840 3.196 ( 2.270 1.392 -0.987) 2.840 3.693 ( -5.885 -1.670 1.859) 6.394 3.693 ( 5.885 -1.670 1.859) 6.394 4.034 ( -3.292 -2.110 -1.529) 4.198 4.034 ( 3.292 -2.110 -1.529) 4.198 4.909 ( -5.820 13.565 -0.173) 14.762 4.909 ( 5.820 13.565 -0.173) 14.762 5.157 ( -2.479 10.950 0.386) 11.234 5.157 ( 2.479 10.950 0.386) 11.234 6.598 ( -1.872 2.676 -0.183) 3.271 6.598 ( 1.872 2.676 -0.183) 3.271 6.854 ( -1.446 -3.502 -2.812) 4.718 6.854 ( 1.446 -3.502 -2.812) 4.718 7.062 ( -3.264 2.039 0.614) 3.897 7.062 ( 3.264 2.039 0.614) 3.897 7.299 ( -2.175 -2.288 1.269) 3.402 7.299 ( 2.175 -2.288 1.269) 3.402 7.738 ( -2.165 6.730 -4.595) 8.431 7.738 ( 2.165 6.730 -4.595) 8.431 7.843 ( -0.601 4.868 -1.745) 5.206 7.843 ( 0.601 4.868 -1.745) 5.206 8.008 ( -1.351 7.854 3.851) 8.851 8.008 ( 1.351 7.854 3.851) 8.851 8.471 ( -10.382 2.853 -1.171) 10.831 8.471 ( 10.382 2.853 -1.171) 10.831 8.945 ( -0.822 5.298 -1.232) 5.501 8.945 ( 0.822 5.298 -1.232) 5.501 9.386 ( -2.452 -3.436 -2.799) 5.065 9.386 ( 2.452 -3.436 -2.799) 5.065 9.896 ( -1.112 -0.247 1.856) 2.178 9.896 ( 1.112 -0.247 1.856) 2.178 10.196 ( -2.553 -8.046 -1.953) 8.664 10.196 ( 2.553 -8.046 -1.953) 8.664 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.000 9.767 -0.585) 9.784 2.223 ( 0.000 14.719 0.563) 14.729 2.301 ( 0.000 5.834 -1.320) 5.981 2.318 ( 0.000 11.137 -3.239) 11.599 2.378 ( 0.000 1.132 1.619) 1.975 2.477 ( 0.000 -2.537 2.029) 3.249 2.620 ( 0.000 0.273 -1.718) 1.739 2.747 ( 0.000 -2.549 4.752) 5.392 2.752 ( 0.000 4.948 1.060) 5.061 2.834 ( 0.000 1.515 -1.930) 2.453 2.909 ( 0.000 -0.335 1.075) 1.126 2.983 ( 0.000 3.520 2.859) 4.535 3.122 ( 0.000 -0.318 -4.471) 4.482 3.124 ( 0.000 1.314 -0.212) 1.331 3.178 ( 0.000 2.338 -1.985) 3.067 3.272 ( 0.000 -0.540 0.394) 0.669 3.395 ( 0.000 -8.492 2.970) 8.996 3.535 ( 0.000 -8.045 -6.818) 10.545 3.964 ( 0.000 -5.888 7.789) 9.764 4.116 ( 0.000 -8.955 -4.305) 9.935 5.034 ( 0.000 14.420 0.018) 14.420 5.171 ( 0.000 9.822 -1.367) 9.917 5.452 ( 0.000 13.734 0.933) 13.765 5.466 ( 0.000 12.965 0.358) 12.970 6.594 ( 0.000 1.535 0.470) 1.606 6.725 ( 0.000 1.970 -1.327) 2.375 6.732 ( 0.000 -2.643 -2.001) 3.315 6.851 ( 0.000 -1.434 -2.556) 2.931 7.076 ( 0.000 5.423 -1.527) 5.633 7.133 ( 0.000 0.497 2.362) 2.413 7.242 ( 0.000 0.317 -0.910) 0.964 7.282 ( 0.000 -2.689 1.020) 2.876 7.774 ( 0.000 3.260 -3.282) 4.626 7.844 ( 0.000 2.170 -3.842) 4.413 7.964 ( 0.000 4.164 -3.269) 5.294 8.024 ( 0.000 1.602 -3.212) 3.590 8.125 ( 0.000 6.946 0.751) 6.987 8.144 ( 0.000 6.913 0.863) 6.966 8.276 ( 0.000 3.364 3.933) 5.175 8.602 ( 0.000 -6.888 -1.044) 6.967 9.000 ( 0.000 1.849 -0.444) 1.902 9.082 ( 0.000 5.894 -1.634) 6.117 9.274 ( 0.000 -3.343 -1.202) 3.553 9.406 ( 0.000 -4.097 -1.755) 4.457 9.871 ( 0.000 0.430 0.362) 0.562 9.936 ( 0.000 0.960 1.266) 1.589 10.003 ( 0.000 -4.263 -1.174) 4.422 10.084 ( 0.000 -5.742 -0.083) 5.743 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.431 9.680 -0.009) 9.690 2.214 ( -3.954 8.040 1.722) 9.124 2.247 ( -0.160 12.805 -0.016) 12.806 2.305 ( -1.327 11.042 -2.040) 11.307 2.408 ( 1.927 0.263 -0.978) 2.177 2.467 ( -0.983 -2.001 0.807) 2.371 2.670 ( 3.512 2.227 -1.298) 4.356 2.723 ( -0.647 3.552 0.692) 3.676 2.791 ( 1.844 -1.276 0.663) 2.338 2.846 ( 2.029 0.852 0.883) 2.371 2.901 ( -1.214 -1.073 0.400) 1.668 2.950 ( -3.023 2.550 2.098) 4.476 3.102 ( -0.127 0.980 -2.359) 2.558 3.140 ( -0.865 0.923 -1.160) 1.716 3.183 ( 1.328 1.242 -1.349) 2.264 3.247 ( -1.958 -0.326 -0.386) 2.022 3.445 ( 6.047 -6.287 3.423) 9.371 3.621 ( 6.105 -7.629 -5.241) 11.088 3.892 ( -5.996 -7.671 6.484) 11.698 4.043 ( -6.950 -9.064 -4.088) 12.131 5.090 ( 5.687 15.162 0.008) 16.194 5.236 ( 5.154 10.484 -1.609) 11.792 5.388 ( -4.913 13.953 1.377) 14.857 5.456 ( -2.256 11.811 0.424) 12.032 6.609 ( 1.548 1.761 0.305) 2.365 6.700 ( -2.433 3.163 -0.878) 4.086 6.746 ( 1.588 -3.884 -2.073) 4.680 6.832 ( -1.954 -1.981 -2.409) 3.681 7.091 ( 1.313 4.745 -1.126) 5.051 7.128 ( -0.497 1.287 1.628) 2.134 7.249 ( 0.704 -0.203 -0.603) 0.949 7.277 ( -0.466 -2.245 0.730) 2.406 7.794 ( 2.107 3.536 -3.262) 5.252 7.859 ( 1.285 2.935 -4.248) 5.321 7.939 ( -2.623 3.001 -2.173) 4.540 7.967 ( -3.652 3.118 -3.816) 6.134 8.137 ( 1.304 7.239 1.507) 7.508 8.171 ( 0.663 7.370 2.066) 7.682 8.332 ( 5.806 0.598 1.716) 6.084 8.564 ( -3.942 -5.727 -0.740) 6.992 9.010 ( 1.095 2.444 -0.348) 2.701 9.069 ( -1.318 5.618 -1.008) 5.858 9.278 ( 0.706 -4.020 -1.849) 4.481 9.371 ( -3.222 -4.160 -2.026) 5.639 9.882 ( 1.072 0.725 0.611) 1.431 9.927 ( -0.900 1.023 1.222) 1.830 10.027 ( 2.130 -4.654 -1.070) 5.229 10.082 ( -0.374 -5.655 -0.311) 5.676 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -2.866 8.696 1.298) 9.247 2.137 ( 2.866 8.696 1.298) 9.247 2.274 ( -1.864 12.167 -0.426) 12.316 2.274 ( 1.864 12.167 -0.426) 12.316 2.442 ( -1.638 -0.878 -0.881) 2.056 2.442 ( 1.638 -0.878 -0.881) 2.056 2.711 ( -1.078 4.209 -0.227) 4.351 2.711 ( 1.078 4.209 -0.227) 4.351 2.843 ( -3.747 -2.459 -2.223) 5.003 2.843 ( 3.747 -2.459 -2.223) 5.003 2.899 ( -2.441 1.477 2.951) 4.104 2.899 ( 2.441 1.477 2.951) 4.104 3.115 ( -1.252 1.109 -1.340) 2.143 3.115 ( 1.252 1.109 -1.340) 2.143 3.213 ( -1.645 0.545 -0.721) 1.877 3.213 ( 1.645 0.545 -0.721) 1.877 3.601 ( -8.505 -5.268 2.861) 10.405 3.601 ( 8.505 -5.268 2.861) 10.405 3.895 ( -7.144 -10.177 -2.293) 12.644 3.895 ( 7.144 -10.177 -2.293) 12.644 5.221 ( -7.018 15.589 -0.597) 17.106 5.221 ( 7.018 15.589 -0.597) 17.106 5.385 ( -4.631 10.340 0.810) 11.359 5.385 ( 4.631 10.340 0.810) 11.359 6.650 ( -2.606 2.424 -0.187) 3.564 6.650 ( 2.606 2.424 -0.187) 3.564 6.787 ( -2.532 -3.086 -2.173) 4.545 6.787 ( 2.532 -3.086 -2.173) 4.545 7.114 ( -0.980 3.073 0.113) 3.227 7.114 ( 0.980 3.073 0.113) 3.227 7.265 ( -0.832 -1.258 0.056) 1.510 7.265 ( 0.832 -1.258 0.056) 1.510 7.848 ( -3.157 4.246 -3.614) 6.407 7.848 ( 3.157 4.246 -3.614) 6.407 7.917 ( -1.724 2.370 -3.170) 4.317 7.917 ( 1.724 2.370 -3.170) 4.317 8.163 ( -1.162 7.558 2.332) 7.995 8.163 ( 1.162 7.558 2.332) 7.995 8.460 ( -6.775 -2.842 0.059) 7.347 8.460 ( 6.775 -2.842 0.059) 7.347 9.038 ( -1.722 4.087 -0.352) 4.449 9.038 ( 1.722 4.087 -0.352) 4.449 9.310 ( -2.728 -4.387 -2.360) 5.680 9.310 ( 2.728 -4.387 -2.360) 5.680 9.905 ( -1.299 1.052 1.009) 1.953 9.905 ( 1.299 1.052 1.009) 1.953 10.065 ( -1.559 -5.301 -0.750) 5.576 10.065 ( 1.559 -5.301 -0.750) 5.576 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 0.000 6.314 -0.468) 6.332 2.345 ( 0.000 -0.493 -1.964) 2.025 2.366 ( 0.000 0.292 -0.658) 0.720 2.384 ( 0.000 -2.031 1.389) 2.461 2.524 ( 0.000 8.820 -0.192) 8.822 2.560 ( 0.000 8.832 -1.556) 8.968 2.681 ( 0.000 6.332 -0.218) 6.335 2.686 ( 0.000 -2.872 3.695) 4.680 2.755 ( 0.000 -3.545 0.269) 3.555 2.836 ( 0.000 -2.677 -2.223) 3.480 2.899 ( 0.000 -0.506 0.768) 0.920 2.935 ( 0.000 -6.437 1.284) 6.564 3.148 ( 0.000 2.580 -3.101) 4.034 3.163 ( 0.000 1.254 -2.071) 2.421 3.226 ( 0.000 2.348 -0.559) 2.414 3.252 ( 0.000 -0.832 -0.004) 0.832 3.331 ( 0.000 1.250 2.246) 2.571 3.399 ( 0.000 -5.268 -2.971) 6.048 3.865 ( 0.000 -1.972 3.767) 4.252 3.929 ( 0.000 -7.884 -1.605) 8.046 5.265 ( 0.000 7.596 0.060) 7.597 5.311 ( 0.000 2.973 -0.336) 2.992 5.643 ( 0.000 5.093 0.230) 5.098 5.646 ( 0.000 4.763 0.082) 4.764 6.620 ( 0.000 1.384 0.119) 1.389 6.660 ( 0.000 -2.792 -0.820) 2.909 6.788 ( 0.000 2.552 -1.211) 2.825 6.826 ( 0.000 -1.398 -1.694) 2.196 7.171 ( 0.000 3.301 -0.144) 3.304 7.173 ( 0.000 3.828 -0.848) 3.921 7.228 ( 0.000 -1.847 -0.734) 1.988 7.234 ( 0.000 -2.569 -0.626) 2.645 7.821 ( 0.000 1.813 -3.076) 3.570 7.850 ( 0.000 -1.038 -2.911) 3.090 8.022 ( 0.000 1.922 -2.770) 3.371 8.041 ( 0.000 0.013 -3.339) 3.339 8.224 ( 0.000 2.790 -0.049) 2.790 8.235 ( 0.000 1.744 -0.411) 1.792 8.355 ( 0.000 5.228 2.332) 5.724 8.470 ( 0.000 -6.264 0.115) 6.265 9.050 ( 0.000 3.431 -1.125) 3.611 9.119 ( 0.000 -2.355 -3.578) 4.284 9.251 ( 0.000 2.040 1.407) 2.478 9.321 ( 0.000 -4.292 -0.341) 4.306 9.891 ( 0.000 1.565 -0.054) 1.566 9.933 ( 0.000 -2.782 -0.582) 2.842 9.959 ( 0.000 1.441 0.790) 1.643 10.000 ( 0.000 -2.942 0.490) 2.983 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 0.184 6.071 -0.584) 6.101 2.317 ( -2.888 3.709 -0.050) 4.701 2.350 ( -0.096 -2.698 -1.625) 3.151 2.375 ( -1.127 -2.069 -0.049) 2.356 2.535 ( 1.105 9.832 -0.081) 9.894 2.569 ( 0.289 10.356 -1.059) 10.414 2.696 ( 1.145 -3.451 2.473) 4.397 2.732 ( 3.822 0.813 -0.608) 3.955 2.751 ( -0.214 -1.898 0.239) 1.924 2.836 ( 0.292 -2.047 -0.954) 2.277 2.882 ( -1.941 -0.972 0.378) 2.203 2.907 ( -2.186 -4.893 1.335) 5.523 3.155 ( 0.787 3.188 -2.321) 4.021 3.181 ( 1.101 1.205 -1.570) 2.265 3.207 ( -1.109 1.834 -0.829) 2.298 3.237 ( -1.191 -0.755 -0.312) 1.445 3.399 ( 6.726 1.738 2.027) 7.237 3.482 ( 7.643 -5.897 -2.636) 10.007 3.778 ( -8.317 -1.899 3.474) 9.212 3.852 ( -7.538 -8.401 -1.635) 11.405 5.329 ( 6.144 7.820 0.070) 9.945 5.378 ( 6.205 2.842 -0.332) 6.833 5.592 ( -4.861 5.994 0.233) 7.721 5.614 ( -3.700 3.707 0.092) 5.239 6.640 ( 2.017 1.544 0.038) 2.540 6.680 ( 2.051 -2.655 -0.831) 3.456 6.757 ( -2.988 2.405 -0.855) 3.930 6.797 ( -2.861 -1.749 -1.414) 3.639 7.174 ( 0.311 3.211 -0.054) 3.226 7.178 ( 0.375 3.720 -1.103) 3.898 7.231 ( 0.289 -1.869 -0.865) 2.080 7.237 ( 0.141 -2.322 -0.756) 2.446 7.845 ( 2.529 1.960 -3.011) 4.394 7.875 ( 2.445 -0.817 -3.061) 4.002 7.985 ( -3.512 1.762 -2.493) 4.654 8.002 ( -3.285 0.327 -3.579) 4.869 8.249 ( 2.353 3.873 0.286) 4.541 8.281 ( 3.528 1.772 -0.543) 3.985 8.349 ( -0.344 3.170 2.069) 3.802 8.449 ( -2.287 -5.719 0.108) 6.161 9.069 ( 1.990 3.654 -0.813) 4.239 9.132 ( 1.104 -0.669 -2.908) 3.181 9.220 ( -2.645 0.218 0.823) 2.778 9.283 ( -3.551 -4.467 -0.748) 5.755 9.906 ( 1.438 1.739 0.135) 2.260 9.949 ( 0.696 -0.979 0.000) 1.201 9.956 ( 0.322 -0.343 0.307) 0.562 9.998 ( -0.376 -3.061 0.321) 3.101 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -1.443 5.409 -0.335) 5.609 2.274 ( 1.443 5.409 -0.335) 5.609 2.355 ( -0.690 -2.673 -1.083) 2.965 2.355 ( 0.690 -2.673 -1.083) 2.965 2.559 ( -1.153 10.845 -0.211) 10.908 2.559 ( 1.153 10.845 -0.211) 10.908 2.724 ( -1.598 -4.361 0.422) 4.664 2.724 ( 1.598 -4.361 0.422) 4.664 2.814 ( -3.607 1.034 -0.621) 3.804 2.814 ( 3.607 1.034 -0.621) 3.804 2.869 ( -1.694 -3.660 1.241) 4.219 2.869 ( 1.694 -3.660 1.241) 4.219 3.174 ( -1.132 3.517 -1.484) 3.982 3.174 ( 1.132 3.517 -1.484) 3.982 3.215 ( -1.184 -0.660 -0.765) 1.557 3.215 ( 1.184 -0.660 -0.765) 1.557 3.558 ( -7.847 2.242 1.348) 8.271 3.558 ( 7.847 2.242 1.348) 8.271 3.688 ( -7.390 -9.690 -0.805) 12.213 3.688 ( 7.390 -9.690 -0.805) 12.213 5.462 ( -5.999 7.867 -0.346) 9.899 5.462 ( 5.999 7.867 -0.346) 9.899 5.517 ( -5.195 2.292 0.384) 5.691 5.517 ( 5.195 2.292 0.384) 5.691 6.692 ( -3.367 1.994 -0.285) 3.924 6.692 ( 3.367 1.994 -0.285) 3.924 6.734 ( -3.401 -2.314 -0.997) 4.233 6.734 ( 3.401 -2.314 -0.997) 4.233 7.180 ( -0.201 3.406 -0.618) 3.467 7.180 ( 0.201 3.406 -0.618) 3.467 7.236 ( -0.195 -2.030 -0.959) 2.254 7.236 ( 0.195 -2.030 -0.959) 2.254 7.909 ( -3.820 2.155 -2.898) 5.257 7.909 ( 3.820 2.155 -2.898) 5.257 7.936 ( -3.418 -0.385 -3.235) 4.722 7.936 ( 3.418 -0.385 -3.235) 4.722 8.294 ( -1.918 5.585 0.632) 5.939 8.294 ( 1.918 5.585 0.632) 5.939 8.388 ( -3.830 -4.127 0.329) 5.640 8.388 ( 3.830 -4.127 0.329) 5.640 9.119 ( -2.837 4.409 -0.476) 5.265 9.119 ( 2.837 4.409 -0.476) 5.265 9.215 ( -2.842 -5.084 -1.340) 5.976 9.215 ( 2.842 -5.084 -1.340) 5.976 9.934 ( -1.319 1.861 0.470) 2.329 9.934 ( 1.319 1.861 0.470) 2.329 9.982 ( -1.278 -3.150 -0.039) 3.399 9.982 ( 1.278 -3.150 -0.039) 3.399 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 0.000 17.624) 17.624 1.203 ( 0.000 0.000 6.503) 6.503 1.247 ( 0.000 0.000 27.357) 27.357 1.498 ( 0.000 0.000 -9.394) 9.394 1.970 ( 0.000 0.000 0.395) 0.395 2.118 ( 0.000 0.000 46.825) 46.825 2.239 ( 0.000 0.000 -6.315) 6.315 2.351 ( 0.000 0.000 -5.564) 5.564 2.352 ( 0.000 0.000 -6.470) 6.470 2.506 ( 0.000 0.000 -3.659) 3.659 2.580 ( 0.000 0.000 -0.331) 0.331 2.675 ( 0.000 0.000 -1.350) 1.350 2.873 ( 0.000 0.000 3.583) 3.583 2.969 ( 0.000 0.000 4.305) 4.305 2.975 ( 0.000 0.000 4.543) 4.543 3.003 ( 0.000 0.000 0.610) 0.610 3.220 ( 0.000 0.000 1.605) 1.605 3.221 ( 0.000 0.000 2.690) 2.690 3.724 ( 0.000 0.000 -17.522) 17.522 4.102 ( 0.000 0.000 4.013) 4.013 4.344 ( 0.000 0.000 6.415) 6.415 4.793 ( 0.000 0.000 -5.804) 5.804 5.189 ( 0.000 0.000 -1.472) 1.472 5.302 ( 0.000 0.000 -4.527) 4.527 6.554 ( 0.000 0.000 -5.754) 5.754 6.609 ( 0.000 0.000 1.133) 1.133 6.749 ( 0.000 0.000 4.558) 4.558 6.847 ( 0.000 0.000 3.338) 3.338 6.968 ( 0.000 0.000 -1.922) 1.922 7.072 ( 0.000 0.000 -0.551) 0.551 7.163 ( 0.000 0.000 0.964) 0.964 7.232 ( 0.000 0.000 -3.398) 3.398 7.258 ( 0.000 0.000 -4.821) 4.821 7.311 ( 0.000 0.000 1.445) 1.445 7.319 ( 0.000 0.000 -3.953) 3.953 7.323 ( 0.000 0.000 0.493) 0.493 7.553 ( 0.000 0.000 1.978) 1.978 7.703 ( 0.000 0.000 -0.502) 0.502 7.778 ( 0.000 0.000 2.549) 2.549 7.790 ( 0.000 0.000 2.642) 2.642 7.975 ( 0.000 0.000 1.718) 1.718 8.544 ( 0.000 0.000 -14.551) 14.551 9.628 ( 0.000 0.000 1.541) 1.541 9.645 ( 0.000 0.000 1.769) 1.769 10.181 ( 0.000 0.000 5.062) 5.062 10.332 ( 0.000 0.000 -2.334) 2.334 10.532 ( 0.000 0.000 -4.473) 4.473 10.822 ( 0.000 0.000 -16.036) 16.036 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 6.135 0.000 15.362) 16.542 1.152 ( -5.177 0.000 7.724) 9.298 1.168 ( -4.213 0.000 26.959) 27.287 1.387 ( -10.313 0.000 0.268) 10.317 1.978 ( 1.932 0.000 -2.652) 3.281 2.162 ( -5.404 0.000 -7.061) 8.891 2.311 ( 14.545 0.000 35.927) 38.760 2.351 ( 0.020 0.000 -5.869) 5.869 2.353 ( -0.001 0.000 -6.206) 6.206 2.562 ( 2.952 0.000 2.187) 3.673 2.595 ( 1.513 0.000 -0.489) 1.590 2.662 ( -1.295 0.000 -1.207) 1.770 2.922 ( 5.928 0.000 2.212) 6.327 2.970 ( 0.087 0.000 4.329) 4.330 2.974 ( -0.072 0.000 4.497) 4.497 3.090 ( 5.533 0.000 2.149) 5.936 3.222 ( 0.826 0.000 0.852) 1.186 3.260 ( 5.546 0.000 -0.604) 5.579 3.579 ( -14.158 0.000 -10.801) 17.808 3.789 ( -19.555 0.000 3.404) 19.849 4.636 ( 17.988 0.000 2.109) 18.112 4.891 ( 8.656 0.000 -6.459) 10.800 5.132 ( -5.705 0.000 -0.915) 5.778 5.251 ( -5.335 0.000 -4.738) 7.135 6.555 ( 0.210 0.000 -4.843) 4.848 6.594 ( -1.374 0.000 -1.010) 1.705 6.761 ( 1.258 0.000 4.430) 4.605 6.830 ( -1.640 0.000 3.593) 3.949 6.985 ( 1.771 0.000 -1.571) 2.367 7.065 ( -0.964 0.000 -1.014) 1.399 7.176 ( 1.159 0.000 0.324) 1.204 7.222 ( -0.927 0.000 -2.654) 2.811 7.269 ( 0.968 0.000 -4.880) 4.975 7.304 ( 0.079 0.000 1.405) 1.407 7.311 ( -0.851 0.000 -4.124) 4.211 7.336 ( 0.174 0.000 1.979) 1.987 7.547 ( -0.545 0.000 1.913) 1.989 7.599 ( -5.850 0.000 2.165) 6.237 7.780 ( 0.182 0.000 2.563) 2.569 7.788 ( -0.154 0.000 2.628) 2.633 8.141 ( 12.160 0.000 -3.559) 12.670 8.493 ( -5.276 0.000 -12.428) 13.501 9.629 ( 0.286 0.000 1.949) 1.970 9.647 ( -0.086 0.000 1.930) 1.932 10.195 ( 1.613 0.000 5.303) 5.543 10.304 ( -2.846 0.000 3.217) 4.295 10.587 ( 5.306 0.000 -11.723) 12.867 10.790 ( -3.392 0.000 -16.458) 16.804 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -7.823 0.000 11.067) 13.552 1.024 ( 7.823 0.000 11.067) 13.552 1.196 ( -7.440 0.000 16.062) 17.702 1.196 ( 7.440 0.000 16.062) 17.702 2.052 ( -5.457 0.000 -7.001) 8.876 2.052 ( 5.457 0.000 -7.001) 8.876 2.352 ( -0.088 0.000 -6.056) 6.056 2.352 ( 0.088 0.000 -6.056) 6.056 2.534 ( -6.879 0.000 17.723) 19.011 2.534 ( 6.879 0.000 17.723) 19.011 2.630 ( -1.968 0.000 -0.856) 2.146 2.630 ( 1.968 0.000 -0.856) 2.146 2.972 ( -0.114 0.000 4.401) 4.403 2.972 ( 0.114 0.000 4.401) 4.403 3.081 ( -7.157 0.000 2.853) 7.705 3.081 ( 7.157 0.000 2.853) 7.705 3.301 ( -10.269 0.000 0.711) 10.294 3.301 ( 10.269 0.000 0.711) 10.294 3.467 ( -14.714 0.000 -4.073) 15.267 3.467 ( 14.714 0.000 -4.073) 15.267 4.920 ( -10.929 0.000 -1.936) 11.100 4.920 ( 10.929 0.000 -1.936) 11.100 5.114 ( -7.968 0.000 -4.045) 8.936 5.114 ( 7.968 0.000 -4.045) 8.936 6.568 ( -1.172 0.000 -3.544) 3.733 6.568 ( 1.172 0.000 -3.544) 3.733 6.793 ( -1.992 0.000 4.069) 4.530 6.793 ( 1.992 0.000 4.069) 4.530 7.030 ( -2.598 0.000 -1.432) 2.966 7.030 ( 2.598 0.000 -1.432) 2.966 7.201 ( -1.330 0.000 -1.160) 1.764 7.201 ( 1.330 0.000 -1.160) 1.764 7.290 ( -1.221 0.000 -4.565) 4.725 7.290 ( 1.221 0.000 -4.565) 4.725 7.319 ( -1.395 0.000 2.650) 2.995 7.319 ( 1.395 0.000 2.650) 2.995 7.543 ( -0.623 0.000 2.010) 2.104 7.543 ( 0.623 0.000 2.010) 2.104 7.784 ( -0.237 0.000 2.596) 2.606 7.784 ( 0.237 0.000 2.596) 2.606 8.351 ( -9.576 0.000 -8.356) 12.709 8.351 ( 9.576 0.000 -8.356) 12.709 9.639 ( -0.643 0.000 2.197) 2.289 9.639 ( 0.643 0.000 2.197) 2.289 10.242 ( -3.226 0.000 5.764) 6.605 10.242 ( 3.226 0.000 5.764) 6.605 10.700 ( -5.897 0.000 -16.395) 17.423 10.700 ( 5.897 0.000 -16.395) 17.423 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 0.000 25.420 13.722) 28.887 1.238 ( 0.000 3.102 22.952) 23.161 1.575 ( 0.000 7.879 -8.126) 11.319 1.581 ( 0.000 28.853 6.410) 29.557 1.945 ( 0.000 -1.746 0.079) 1.748 2.189 ( 0.000 9.291 36.923) 38.074 2.260 ( 0.000 2.399 -4.935) 5.487 2.358 ( 0.000 -4.374 -0.546) 4.408 2.430 ( 0.000 6.621 -6.528) 9.298 2.457 ( 0.000 5.391 -4.096) 6.771 2.731 ( 0.000 8.070 -0.238) 8.074 2.809 ( 0.000 12.044 -1.352) 12.120 2.839 ( 0.000 -2.331 4.070) 4.690 2.993 ( 0.000 1.339 3.967) 4.187 3.003 ( 0.000 0.986 0.592) 1.150 3.050 ( 0.000 6.823 4.761) 8.320 3.219 ( 0.000 0.004 1.221) 1.221 3.234 ( 0.000 2.109 2.561) 3.318 3.734 ( 0.000 1.440 -16.694) 16.756 4.074 ( 0.000 -2.620 4.348) 5.076 4.369 ( 0.000 3.042 6.082) 6.801 4.774 ( 0.000 -1.598 -4.571) 4.842 5.151 ( 0.000 -3.673 -1.052) 3.820 5.263 ( 0.000 -3.947 -5.180) 6.512 6.502 ( 0.000 -1.752 -2.658) 3.183 6.594 ( 0.000 -1.190 1.014) 1.564 6.895 ( 0.000 3.607 1.492) 3.903 6.936 ( 0.000 -1.142 -2.454) 2.707 7.028 ( 0.000 14.802 1.221) 14.853 7.056 ( 0.000 -0.504 -0.320) 0.597 7.148 ( 0.000 3.252 -0.827) 3.355 7.276 ( 0.000 4.127 -2.849) 5.015 7.309 ( 0.000 -0.138 0.067) 0.153 7.355 ( 0.000 2.146 1.327) 2.524 7.361 ( 0.000 10.001 -3.524) 10.604 7.447 ( 0.000 9.760 -2.042) 9.971 7.555 ( 0.000 0.978 2.319) 2.517 7.798 ( 0.000 0.173 0.528) 0.555 7.807 ( 0.000 4.540 1.883) 4.915 7.910 ( 0.000 16.573 -7.513) 18.196 8.034 ( 0.000 7.145 3.473) 7.944 8.560 ( 0.000 2.150 -13.745) 13.912 9.601 ( 0.000 -2.708 0.636) 2.782 9.602 ( 0.000 -4.221 0.876) 4.311 10.145 ( 0.000 -3.453 5.027) 6.098 10.311 ( 0.000 -2.146 -2.355) 3.186 10.406 ( 0.000 -10.754 -0.785) 10.783 10.746 ( 0.000 -7.322 -14.254) 16.025 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -0.819 8.528 19.236) 21.058 1.291 ( 4.594 21.893 15.319) 27.113 1.441 ( -11.038 9.350 0.476) 14.473 1.534 ( -5.395 27.596 6.894) 28.951 1.975 ( 3.252 -0.013 -3.871) 5.056 2.172 ( -5.991 1.011 -7.022) 9.286 2.297 ( 8.106 3.300 24.561) 26.074 2.405 ( 1.043 1.739 -0.688) 2.141 2.440 ( 1.354 6.050 -1.595) 6.401 2.479 ( 1.940 2.148 -0.131) 2.897 2.751 ( 1.731 8.227 0.741) 8.439 2.802 ( -0.634 9.146 0.324) 9.173 2.901 ( 6.953 0.461 2.078) 7.271 2.996 ( 0.172 2.278 4.438) 4.991 3.004 ( -0.114 1.798 2.969) 3.473 3.113 ( 3.536 3.392 4.252) 6.487 3.213 ( 1.759 -0.778 0.646) 2.029 3.287 ( 5.664 3.276 -0.836) 6.596 3.610 ( -12.078 3.837 -10.726) 16.602 3.792 ( -18.795 0.728 4.063) 19.243 4.627 ( 16.922 -0.496 2.544) 17.120 4.868 ( 8.536 -2.140 -5.386) 10.317 5.093 ( -5.981 -3.646 -0.604) 7.031 5.209 ( -5.578 -4.092 -5.034) 8.556 6.512 ( 1.018 -1.744 -2.524) 3.233 6.574 ( -1.774 -1.335 -0.013) 2.220 6.893 ( 0.075 3.958 1.322) 4.173 6.928 ( -1.062 0.832 -1.052) 1.710 7.036 ( 0.944 11.873 0.217) 11.912 7.059 ( 0.179 1.276 -0.405) 1.351 7.163 ( 1.510 2.122 -0.537) 2.659 7.258 ( -2.655 3.092 -0.883) 4.171 7.295 ( 0.713 2.067 -2.115) 3.042 7.347 ( -1.164 6.767 -3.163) 7.560 7.404 ( 3.291 4.604 1.164) 5.778 7.462 ( 1.199 11.405 -0.741) 11.491 7.546 ( -0.576 0.316 1.718) 1.840 7.694 ( -7.917 7.434 -0.127) 10.861 7.822 ( 0.624 3.621 1.622) 4.017 7.852 ( -1.541 7.912 0.343) 8.068 8.201 ( 10.949 6.860 -4.232) 13.596 8.513 ( -4.786 2.599 -11.794) 12.991 9.596 ( 0.060 -3.440 1.138) 3.624 9.608 ( 0.029 -3.655 0.977) 3.784 10.157 ( 1.374 -3.639 5.178) 6.476 10.261 ( -3.550 -4.382 3.804) 6.802 10.492 ( 6.806 -7.982 -9.201) 13.953 10.713 ( -3.398 -7.239 -14.456) 16.520 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -8.643 6.160 12.744) 16.584 1.224 ( 8.643 6.160 12.744) 16.584 1.413 ( -6.643 28.259 9.887) 30.667 1.413 ( 6.643 28.259 9.887) 30.667 2.061 ( -5.556 1.057 -6.950) 8.960 2.061 ( 5.556 1.057 -6.950) 8.960 2.395 ( -2.042 2.268 1.012) 3.215 2.395 ( 2.042 2.268 1.012) 3.215 2.481 ( -2.083 2.254 7.256) 7.878 2.481 ( 2.083 2.254 7.256) 7.878 2.783 ( -1.423 8.414 1.584) 8.679 2.783 ( 1.423 8.414 1.584) 8.679 2.998 ( -0.391 2.008 3.331) 3.909 2.998 ( 0.391 2.008 3.331) 3.909 3.069 ( -7.305 -0.546 2.854) 7.861 3.069 ( 7.305 -0.546 2.854) 7.861 3.342 ( -11.079 4.136 2.873) 12.170 3.342 ( 11.079 4.136 2.873) 12.170 3.486 ( -12.801 3.388 -4.217) 13.897 3.486 ( 12.801 3.388 -4.217) 13.897 4.903 ( -11.348 -1.651 -0.994) 11.511 4.903 ( 11.348 -1.651 -0.994) 11.511 5.066 ( -8.607 -4.376 -4.107) 10.493 5.066 ( 8.607 -4.376 -4.107) 10.493 6.539 ( -1.781 -1.609 -1.720) 2.953 6.539 ( 1.781 -1.609 -1.720) 2.953 6.904 ( -1.136 3.565 0.654) 3.798 6.904 ( 1.136 3.565 0.654) 3.798 7.055 ( -0.746 5.721 -0.531) 5.794 7.055 ( 0.746 5.721 -0.531) 5.794 7.204 ( -2.754 1.908 -0.435) 3.378 7.204 ( 2.754 1.908 -0.435) 3.378 7.320 ( -1.580 4.825 -2.963) 5.879 7.320 ( 1.580 4.825 -2.963) 5.879 7.459 ( -2.068 7.774 1.573) 8.197 7.459 ( 2.068 7.774 1.573) 8.197 7.573 ( -4.205 5.219 0.229) 6.706 7.573 ( 4.205 5.219 0.229) 6.706 7.834 ( -0.711 4.872 1.400) 5.118 7.834 ( 0.711 4.872 1.400) 5.118 8.387 ( -8.443 4.151 -8.196) 12.477 8.387 ( 8.443 4.151 -8.196) 12.477 9.602 ( -0.481 -3.619 1.327) 3.884 9.602 ( 0.481 -3.619 1.327) 3.884 10.198 ( -2.911 -4.196 5.510) 7.512 10.198 ( 2.911 -4.196 5.510) 7.512 10.621 ( -6.257 -7.215 -13.861) 16.832 10.621 ( 6.257 -7.215 -13.861) 16.832 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 9.583 16.989) 19.505 1.561 ( 0.000 13.262 14.396) 19.574 1.778 ( 0.000 11.030 -2.191) 11.246 1.910 ( 0.000 0.553 -0.834) 1.001 2.137 ( 0.000 18.922 1.644) 18.993 2.278 ( 0.000 -0.494 -0.258) 0.557 2.369 ( 0.000 10.338 0.260) 10.341 2.515 ( 0.000 13.930 4.500) 14.639 2.583 ( 0.000 9.408 -7.293) 11.903 2.585 ( 0.000 8.007 10.484) 13.192 2.786 ( 0.000 1.090 1.704) 2.023 2.891 ( 0.000 5.894 1.001) 5.978 2.986 ( 0.000 0.335 2.302) 2.326 3.015 ( 0.000 3.829 -1.212) 4.017 3.069 ( 0.000 4.687 3.048) 5.590 3.197 ( 0.000 1.681 2.080) 2.674 3.247 ( 0.000 9.554 4.335) 10.491 3.393 ( 0.000 15.908 0.296) 15.910 3.785 ( 0.000 3.272 -12.809) 13.221 4.005 ( 0.000 -4.525 4.153) 6.142 4.493 ( 0.000 10.144 4.115) 10.947 4.760 ( 0.000 1.322 -1.777) 2.215 5.051 ( 0.000 -6.157 -0.101) 6.158 5.153 ( 0.000 -6.918 -6.329) 9.376 6.497 ( 0.000 0.905 -1.191) 1.495 6.577 ( 0.000 -0.286 0.408) 0.498 6.879 ( 0.000 -1.604 1.538) 2.222 6.895 ( 0.000 -2.627 -3.518) 4.391 7.017 ( 0.000 -3.100 0.856) 3.216 7.246 ( 0.000 2.778 0.215) 2.787 7.261 ( 0.000 0.446 0.383) 0.588 7.325 ( 0.000 7.397 -4.129) 8.471 7.407 ( 0.000 4.428 -0.975) 4.534 7.444 ( 0.000 7.212 0.312) 7.218 7.571 ( 0.000 9.061 0.451) 9.072 7.603 ( 0.000 12.568 -1.489) 12.656 7.672 ( 0.000 6.256 1.858) 6.527 7.829 ( 0.000 6.078 1.545) 6.271 7.881 ( 0.000 2.750 -0.285) 2.764 8.275 ( 0.000 16.307 2.876) 16.558 8.275 ( 0.000 17.541 -11.751) 21.113 8.649 ( 0.000 6.851 -10.766) 12.761 9.493 ( 0.000 -6.361 -1.236) 6.480 9.528 ( 0.000 -4.312 -1.936) 4.726 10.057 ( 0.000 -5.029 4.654) 6.852 10.190 ( 0.000 -9.657 2.655) 10.015 10.250 ( 0.000 -3.921 -2.414) 4.605 10.561 ( 0.000 -10.561 -10.093) 14.608 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -0.541 11.435 15.303) 19.111 1.591 ( -8.626 11.068 2.098) 14.189 1.713 ( 6.452 11.673 13.722) 19.136 1.995 ( 4.680 4.266 -3.043) 7.025 2.066 ( -6.321 17.136 3.986) 18.695 2.198 ( -4.931 2.763 -5.026) 7.564 2.462 ( 5.429 9.921 5.355) 12.513 2.521 ( 0.514 11.586 3.015) 11.983 2.572 ( -0.304 6.709 -4.825) 8.270 2.597 ( 0.186 8.610 5.425) 10.179 2.821 ( 3.371 0.632 1.117) 3.607 2.897 ( 0.380 5.027 0.650) 5.083 2.988 ( 0.414 0.512 1.686) 1.810 3.035 ( 1.032 2.881 -0.026) 3.060 3.069 ( 0.305 4.801 3.653) 6.041 3.172 ( -3.719 -0.643 -0.223) 3.781 3.290 ( 6.481 11.016 6.152) 14.185 3.430 ( 3.040 12.422 -0.379) 12.794 3.732 ( -4.714 7.609 -9.764) 13.246 3.846 ( -12.616 4.986 4.558) 14.311 4.640 ( 11.728 2.527 2.935) 12.351 4.830 ( 6.635 -0.772 -2.923) 7.291 5.001 ( -5.309 -5.364 0.162) 7.548 5.103 ( -5.032 -6.044 -5.991) 9.886 6.503 ( 0.712 0.707 -1.066) 1.464 6.557 ( -1.752 -0.185 0.126) 1.767 6.890 ( 0.677 -1.492 -0.401) 1.687 6.897 ( 0.219 -2.280 -2.792) 3.611 7.037 ( 2.287 -2.619 1.731) 3.885 7.181 ( -4.126 0.227 1.039) 4.260 7.303 ( 1.764 5.198 -1.318) 5.645 7.348 ( 1.685 6.086 -2.637) 6.843 7.384 ( -1.150 5.417 -0.922) 5.614 7.446 ( -0.723 3.273 -0.304) 3.365 7.567 ( 0.640 11.047 -0.043) 11.066 7.615 ( -0.225 7.923 -0.492) 7.942 7.691 ( 2.373 9.118 1.732) 9.580 7.805 ( -2.283 6.745 1.544) 7.287 7.912 ( 3.067 5.848 -0.618) 6.632 8.125 ( -7.723 17.354 -3.016) 19.233 8.414 ( 6.823 13.434 -5.557) 16.059 8.616 ( -3.397 7.671 -9.389) 12.591 9.495 ( 0.336 -6.153 -1.055) 6.252 9.521 ( -0.696 -4.927 -1.412) 5.173 10.066 ( 0.995 -5.122 4.660) 6.996 10.142 ( -2.878 -6.740 4.145) 8.420 10.336 ( 6.366 -7.146 -5.843) 11.213 10.534 ( -2.884 -10.127 -10.051) 14.557 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -8.302 11.626 9.014) 16.893 1.398 ( 8.302 11.626 9.014) 16.893 1.890 ( -9.806 14.734 10.203) 20.430 1.890 ( 9.806 14.734 10.203) 20.430 2.105 ( -5.051 4.361 -6.232) 9.131 2.105 ( 5.051 4.361 -6.232) 9.131 2.523 ( -0.859 11.090 5.165) 12.264 2.523 ( 0.859 11.090 5.165) 12.264 2.582 ( -1.408 6.307 -0.894) 6.524 2.582 ( 1.408 6.307 -0.894) 6.524 2.883 ( -2.301 2.043 0.485) 3.115 2.883 ( 2.301 2.043 0.485) 3.115 3.017 ( -2.335 0.741 -0.086) 2.451 3.017 ( 2.335 0.741 -0.086) 2.451 3.100 ( -2.953 2.950 3.051) 5.170 3.100 ( 2.953 2.950 3.051) 5.170 3.436 ( -5.458 5.808 2.748) 8.430 3.436 ( 5.458 5.808 2.748) 8.430 3.673 ( -1.806 14.759 -1.674) 14.963 3.673 ( 1.806 14.759 -1.674) 14.963 4.852 ( -9.866 -3.743 1.632) 10.678 4.852 ( 9.867 -3.743 1.632) 10.678 4.977 ( -7.772 -3.269 -5.118) 9.863 4.977 ( 7.772 -3.269 -5.118) 9.863 6.524 ( -1.505 0.231 -0.572) 1.626 6.524 ( 1.505 0.231 -0.572) 1.626 6.898 ( -0.209 -1.771 -2.076) 2.736 6.898 ( 0.209 -1.771 -2.076) 2.736 7.101 ( -4.132 -1.180 1.983) 4.733 7.101 ( 4.132 -1.180 1.983) 4.733 7.334 ( -1.727 7.177 -1.936) 7.631 7.334 ( 1.727 7.177 -1.936) 7.631 7.412 ( -2.507 2.834 -0.879) 3.885 7.412 ( 2.507 2.834 -0.879) 3.885 7.593 ( -1.682 8.244 -0.014) 8.414 7.593 ( 1.682 8.244 -0.014) 8.414 7.750 ( -3.368 9.017 1.553) 9.750 7.750 ( 3.368 9.017 1.553) 9.750 7.996 ( -5.792 12.444 -1.567) 13.815 7.996 ( 5.792 12.444 -1.567) 13.815 8.530 ( -5.465 9.975 -7.086) 13.401 8.530 ( 5.465 9.975 -7.086) 13.401 9.506 ( -0.759 -5.725 -0.934) 5.850 9.506 ( 0.759 -5.725 -0.934) 5.850 10.095 ( -2.093 -5.600 4.727) 7.622 10.095 ( 2.093 -5.600 4.727) 7.622 10.453 ( -5.549 -8.950 -9.129) 13.937 10.453 ( 5.549 -8.950 -9.129) 13.937 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.000 14.087 9.367) 16.917 1.789 ( 0.000 10.760 13.563) 17.313 1.949 ( 0.000 3.764 -1.487) 4.047 1.988 ( 0.000 10.124 -2.009) 10.321 2.324 ( 0.000 5.025 -2.597) 5.657 2.337 ( 0.000 5.566 0.042) 5.566 2.557 ( 0.000 6.291 -1.795) 6.542 2.590 ( 0.000 -0.630 -1.470) 1.599 2.695 ( 0.000 1.833 6.377) 6.636 2.819 ( 0.000 11.152 -1.329) 11.231 2.897 ( 0.000 5.297 3.233) 6.206 2.979 ( 0.000 -0.763 4.850) 4.909 2.999 ( 0.000 4.505 -1.569) 4.771 3.030 ( 0.000 -0.520 -2.874) 2.920 3.178 ( 0.000 -1.381 -0.344) 1.423 3.180 ( 0.000 5.919 1.618) 6.136 3.515 ( 0.000 10.287 1.444) 10.388 3.767 ( 0.000 17.183 0.600) 17.194 3.884 ( 0.000 -6.394 -0.132) 6.396 3.885 ( 0.000 10.114 -1.607) 10.241 4.743 ( 0.000 11.174 0.857) 11.207 4.869 ( 0.000 9.465 0.239) 9.468 4.945 ( 0.000 -0.863 1.241) 1.511 5.015 ( 0.000 -5.239 -5.641) 7.699 6.528 ( 0.000 2.080 0.084) 2.082 6.587 ( 0.000 1.371 -0.528) 1.469 6.832 ( 0.000 -3.680 -3.625) 5.166 6.863 ( 0.000 -0.465 -1.432) 1.506 6.954 ( 0.000 -2.407 1.410) 2.790 7.237 ( 0.000 -1.346 -0.190) 1.359 7.250 ( 0.000 -1.369 2.643) 2.977 7.433 ( 0.000 -0.705 -2.908) 2.992 7.490 ( 0.000 5.158 -0.362) 5.171 7.523 ( 0.000 6.503 -3.510) 7.390 7.723 ( 0.000 3.270 -0.757) 3.356 7.824 ( 0.000 9.358 0.679) 9.383 7.850 ( 0.000 11.700 0.707) 11.722 7.921 ( 0.000 1.962 -2.163) 2.920 8.050 ( 0.000 13.270 5.300) 14.290 8.550 ( 0.000 9.509 -8.846) 12.987 8.619 ( 0.000 16.936 1.225) 16.980 8.798 ( 0.000 7.305 -5.335) 9.046 9.369 ( 0.000 -5.750 -3.267) 6.614 9.446 ( 0.000 -3.560 -4.831) 6.001 9.964 ( 0.000 -3.961 3.546) 5.316 10.045 ( 0.000 -5.144 3.307) 6.115 10.160 ( 0.000 -4.992 -2.415) 5.545 10.356 ( 0.000 -9.624 -5.696) 11.183 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 0.710 15.196 8.246) 17.304 1.809 ( -8.724 10.636 0.678) 13.772 1.880 ( 7.713 7.707 12.494) 16.582 2.074 ( 3.117 4.082 -1.326) 5.305 2.264 ( -4.043 7.590 0.357) 8.607 2.312 ( -2.948 6.927 -2.961) 8.090 2.582 ( 1.871 1.578 2.005) 3.164 2.638 ( 4.041 2.681 -5.177) 7.094 2.675 ( -1.423 1.624 6.208) 6.573 2.798 ( -2.223 8.512 -2.180) 9.063 2.903 ( 0.626 4.586 3.064) 5.551 2.955 ( -1.841 0.139 2.696) 3.267 3.016 ( 1.756 4.094 -1.048) 4.576 3.060 ( 1.952 0.038 -1.794) 2.651 3.155 ( -1.889 1.003 -0.679) 2.244 3.171 ( -1.008 3.393 1.382) 3.800 3.534 ( 2.421 10.198 2.340) 10.740 3.707 ( -4.993 12.696 1.311) 13.706 3.911 ( 2.680 4.188 -3.533) 6.100 3.928 ( 2.336 8.635 1.113) 9.014 4.749 ( 0.980 6.611 1.188) 6.787 4.848 ( -2.509 1.370 1.149) 3.081 4.950 ( 1.106 5.104 -0.576) 5.254 5.008 ( -0.837 -1.606 -4.666) 5.005 6.532 ( 0.456 2.049 -0.063) 2.100 6.571 ( -1.387 1.584 -0.391) 2.142 6.838 ( 0.593 -3.444 -3.439) 4.903 6.865 ( -0.235 -1.662 -2.522) 3.029 6.988 ( 3.552 -1.506 1.961) 4.328 7.164 ( -4.557 -1.074 1.109) 4.811 7.311 ( 3.313 -1.606 1.199) 3.872 7.419 ( -1.787 -2.019 -0.702) 2.786 7.491 ( 0.749 7.050 -2.560) 7.538 7.526 ( 0.003 6.356 -2.941) 7.004 7.716 ( -0.327 3.882 -0.881) 3.994 7.775 ( -3.741 6.625 -0.768) 7.647 7.868 ( 2.497 9.664 1.993) 10.179 7.945 ( -0.046 6.369 1.127) 6.468 8.115 ( 6.857 12.896 1.635) 14.696 8.445 ( -8.129 12.876 -4.231) 15.805 8.680 ( 3.686 12.775 -2.881) 13.605 8.783 ( -1.585 8.270 -4.938) 9.761 9.374 ( 0.629 -5.649 -3.240) 6.542 9.427 ( -1.761 -4.203 -4.136) 6.154 9.973 ( 0.913 -3.916 3.573) 5.379 10.027 ( -1.518 -4.498 3.586) 5.949 10.206 ( 4.041 -6.183 -3.743) 8.281 10.339 ( -1.882 -9.149 -5.711) 10.948 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -6.189 14.180 4.792) 16.197 1.660 ( 6.189 14.180 4.792) 16.197 2.034 ( -7.105 3.950 7.712) 11.205 2.034 ( 7.105 3.950 7.712) 11.205 2.250 ( -2.687 8.940 -3.379) 9.928 2.250 ( 2.687 8.940 -3.379) 9.928 2.623 ( -2.430 1.206 3.535) 4.456 2.623 ( 2.430 1.206 3.535) 4.456 2.735 ( -4.323 4.089 -3.919) 7.125 2.735 ( 4.323 4.089 -3.919) 7.125 2.922 ( -1.473 2.447 2.822) 4.015 2.922 ( 1.473 2.447 2.822) 4.015 3.058 ( -2.168 3.011 -1.864) 4.152 3.058 ( 2.168 3.011 -1.864) 4.152 3.147 ( -1.227 1.547 0.667) 2.084 3.147 ( 1.227 1.547 0.667) 2.084 3.608 ( -5.067 10.560 2.219) 11.921 3.608 ( 5.067 10.560 2.219) 11.921 3.947 ( -0.589 9.555 -1.353) 9.668 3.947 ( 0.589 9.555 -1.353) 9.668 4.788 ( -3.082 -0.346 1.614) 3.497 4.788 ( 3.082 -0.346 1.614) 3.497 4.982 ( -1.831 4.461 -2.851) 5.602 4.982 ( 1.831 4.461 -2.851) 5.602 6.546 ( -1.056 1.898 -0.259) 2.187 6.546 ( 1.056 1.898 -0.259) 2.187 6.853 ( -0.876 -2.832 -3.132) 4.312 6.853 ( 0.876 -2.832 -3.132) 4.312 7.073 ( -4.970 -0.980 1.603) 5.313 7.073 ( 4.970 -0.980 1.603) 5.313 7.371 ( -3.018 -1.764 0.610) 3.549 7.371 ( 3.018 -1.764 0.610) 3.549 7.514 ( -1.246 6.863 -2.949) 7.573 7.514 ( 1.246 6.863 -2.949) 7.573 7.724 ( -1.428 4.732 -0.946) 5.033 7.724 ( 1.428 4.732 -0.946) 5.033 7.918 ( -2.360 8.434 2.375) 9.074 7.918 ( 2.360 8.434 2.375) 9.074 8.275 ( -9.362 13.183 -1.672) 16.255 8.275 ( 9.362 13.183 -1.672) 16.255 8.741 ( -2.775 10.320 -4.113) 11.451 8.741 ( 2.775 10.320 -4.113) 11.451 9.394 ( -1.464 -5.186 -3.386) 6.364 9.394 ( 1.464 -5.186 -3.386) 6.364 9.997 ( -1.571 -4.006 3.672) 5.656 9.997 ( 1.571 -4.006 3.672) 5.656 10.285 ( -3.800 -7.882 -5.283) 10.222 10.285 ( 3.800 -7.882 -5.283) 10.222 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.000 13.495 3.444) 13.927 2.003 ( 0.000 11.065 6.852) 13.015 2.064 ( 0.000 7.968 -1.597) 8.126 2.172 ( 0.000 8.325 -0.370) 8.334 2.399 ( 0.000 0.924 0.878) 1.274 2.441 ( 0.000 5.092 -4.053) 6.508 2.569 ( 0.000 -0.164 -0.693) 0.712 2.673 ( 0.000 6.109 -3.379) 6.981 2.726 ( 0.000 1.790 4.180) 4.547 2.927 ( 0.000 -1.365 4.902) 5.088 2.943 ( 0.000 0.018 1.712) 1.712 2.981 ( 0.000 3.201 3.062) 4.429 3.029 ( 0.000 0.370 -4.026) 4.043 3.064 ( 0.000 2.695 -3.149) 4.145 3.156 ( 0.000 -0.943 1.465) 1.742 3.267 ( 0.000 2.284 0.193) 2.292 3.536 ( 0.000 -4.654 -5.004) 6.833 3.657 ( 0.000 -11.943 1.945) 12.101 4.060 ( 0.000 5.772 -4.694) 7.440 4.135 ( 0.000 7.465 5.716) 9.402 4.807 ( 0.000 5.059 -0.007) 5.059 4.950 ( 0.000 4.629 -4.024) 6.133 5.174 ( 0.000 15.959 1.436) 16.024 5.176 ( 0.000 16.823 1.066) 16.857 6.571 ( 0.000 2.089 0.619) 2.178 6.630 ( 0.000 2.839 -1.354) 3.146 6.755 ( 0.000 -3.939 -3.093) 5.008 6.830 ( 0.000 -2.501 -3.221) 4.078 6.963 ( 0.000 3.072 0.685) 3.147 7.213 ( 0.000 -2.053 2.806) 3.477 7.219 ( 0.000 -0.455 -0.986) 1.086 7.373 ( 0.000 -3.910 -0.079) 3.911 7.611 ( 0.000 5.730 -2.872) 6.410 7.649 ( 0.000 6.040 -4.672) 7.636 7.801 ( 0.000 4.486 -2.596) 5.183 7.919 ( 0.000 1.191 -4.220) 4.384 8.023 ( 0.000 7.499 2.320) 7.850 8.040 ( 0.000 7.925 1.789) 8.125 8.267 ( 0.000 7.797 5.283) 9.419 8.638 ( 0.000 -0.089 -4.008) 4.009 8.900 ( 0.000 10.845 -0.332) 10.850 8.919 ( 0.000 4.723 -2.012) 5.134 9.278 ( 0.000 -3.259 -3.696) 4.928 9.392 ( 0.000 -2.147 -5.413) 5.823 9.907 ( 0.000 -1.874 2.183) 2.877 9.980 ( 0.000 -1.695 2.649) 3.145 10.061 ( 0.000 -4.832 -2.005) 5.231 10.191 ( 0.000 -7.074 -2.527) 7.512 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 1.256 14.201 3.051) 14.579 2.018 ( -3.304 11.054 0.712) 11.559 2.045 ( 2.909 8.893 5.342) 10.774 2.163 ( -1.228 4.850 0.292) 5.012 2.391 ( -0.181 3.397 -0.416) 3.427 2.435 ( -1.069 5.010 -2.758) 5.818 2.591 ( 2.052 1.285 0.652) 2.507 2.690 ( -0.206 2.303 -0.856) 2.466 2.703 ( 0.017 2.839 0.854) 2.965 2.869 ( -5.217 -0.043 -2.893) 5.966 2.947 ( 0.420 0.626 3.739) 3.814 2.970 ( -0.575 1.404 4.499) 4.748 3.050 ( 2.255 -0.333 -2.961) 3.737 3.094 ( 1.451 2.946 -1.322) 3.541 3.158 ( 0.183 -0.285 0.865) 0.929 3.224 ( -3.497 1.027 -1.322) 3.877 3.607 ( 6.708 -1.740 -1.088) 7.015 3.721 ( 5.109 -8.728 2.132) 10.335 4.002 ( -4.626 3.389 -5.844) 8.187 4.092 ( -4.908 1.443 3.375) 6.129 4.827 ( 2.970 8.625 0.450) 9.133 4.979 ( 0.358 8.911 -2.098) 9.162 5.130 ( -1.087 14.387 1.198) 14.477 5.192 ( -0.549 14.765 0.295) 14.778 6.577 ( 0.581 2.252 0.325) 2.349 6.616 ( -1.215 2.845 -0.979) 3.245 6.765 ( 1.016 -3.733 -3.092) 4.953 6.818 ( -1.208 -2.711 -3.194) 4.360 6.999 ( 3.392 2.426 0.564) 4.208 7.151 ( -3.803 -0.226 0.748) 3.882 7.272 ( 2.751 -2.103 0.784) 3.550 7.358 ( -1.478 -3.647 0.177) 3.939 7.622 ( 1.161 5.964 -3.222) 6.877 7.653 ( 0.214 6.183 -4.336) 7.554 7.795 ( -0.404 4.107 -2.584) 4.869 7.858 ( -4.220 2.465 -2.797) 5.631 8.042 ( 1.851 7.820 2.745) 8.491 8.079 ( 1.552 6.945 1.587) 7.291 8.317 ( 5.482 6.693 3.141) 9.204 8.585 ( -5.386 1.659 -2.740) 6.267 8.905 ( 0.508 9.338 -0.940) 9.399 8.921 ( -0.012 5.519 -1.864) 5.826 9.283 ( 0.677 -3.536 -3.949) 5.344 9.361 ( -2.802 -2.623 -5.014) 6.315 9.917 ( 1.064 -1.700 2.304) 3.055 9.968 ( -1.097 -1.565 2.651) 3.268 10.092 ( 2.789 -5.269 -2.393) 6.424 10.181 ( -1.131 -6.812 -2.670) 7.404 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -3.686 13.938 1.892) 14.541 1.941 ( 3.686 13.938 1.892) 14.541 2.117 ( -3.634 4.807 3.513) 6.975 2.117 ( 3.634 4.807 3.513) 6.975 2.405 ( -1.575 5.261 -1.821) 5.786 2.405 ( 1.575 5.261 -1.821) 5.786 2.639 ( -2.944 1.939 3.371) 4.878 2.639 ( 2.944 1.939 3.371) 4.878 2.769 ( -4.849 0.705 -5.812) 7.602 2.769 ( 4.849 0.705 -5.812) 7.602 2.958 ( -0.706 1.185 4.560) 4.764 2.958 ( 0.706 1.185 4.560) 4.764 3.094 ( -1.610 0.148 -1.407) 2.143 3.094 ( 1.610 0.148 -1.407) 2.143 3.170 ( -1.617 1.155 -1.037) 2.241 3.170 ( 1.617 1.155 -1.037) 2.241 3.740 ( -5.146 0.792 2.463) 5.759 3.740 ( 5.146 0.792 2.463) 5.759 3.983 ( -4.512 -4.888 -3.338) 7.443 3.983 ( 4.512 -4.888 -3.338) 7.443 4.915 ( -5.503 12.883 0.887) 14.037 4.915 ( 5.503 12.883 0.887) 14.037 5.158 ( -2.642 12.315 -0.301) 12.599 5.158 ( 2.642 12.315 -0.301) 12.599 6.593 ( -1.104 2.618 -0.300) 2.857 6.593 ( 1.104 2.618 -0.300) 2.857 6.790 ( -1.564 -3.227 -3.132) 4.761 6.790 ( 1.564 -3.227 -3.132) 4.761 7.074 ( -4.228 1.096 0.509) 4.398 7.074 ( 4.228 1.096 0.509) 4.398 7.321 ( -2.388 -2.943 0.547) 3.829 7.321 ( 2.388 -2.943 0.547) 3.829 7.647 ( -1.073 6.325 -3.758) 7.435 7.647 ( 1.073 6.325 -3.758) 7.435 7.801 ( -1.474 3.188 -2.467) 4.293 7.801 ( 1.474 3.188 -2.467) 4.293 8.077 ( -1.425 7.498 2.692) 8.093 8.077 ( 1.425 7.498 2.692) 8.093 8.453 ( -7.986 4.435 -0.216) 9.137 8.453 ( 7.986 4.435 -0.216) 9.137 8.916 ( -0.518 7.166 -1.578) 7.356 8.916 ( 0.518 7.166 -1.578) 7.356 9.309 ( -2.218 -3.458 -4.437) 6.047 9.309 ( 2.218 -3.458 -4.437) 6.047 9.943 ( -1.487 -1.498 2.538) 3.301 9.943 ( 1.487 -1.498 2.538) 3.301 10.146 ( -2.554 -6.113 -2.769) 7.181 10.146 ( 2.554 -6.113 -2.769) 7.181 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 0.000 8.444 0.087) 8.445 2.224 ( 0.000 10.421 -0.731) 10.446 2.259 ( 0.000 10.079 -2.032) 10.282 2.296 ( 0.000 4.085 0.885) 4.180 2.408 ( 0.000 1.645 1.103) 1.980 2.487 ( 0.000 0.821 -1.252) 1.497 2.604 ( 0.000 2.929 0.443) 2.963 2.773 ( 0.000 1.963 0.674) 2.075 2.773 ( 0.000 2.829 -1.700) 3.300 2.874 ( 0.000 -3.149 4.575) 5.554 2.929 ( 0.000 -0.774 1.004) 1.268 3.011 ( 0.000 -1.933 -3.750) 4.219 3.057 ( 0.000 3.273 2.029) 3.851 3.109 ( 0.000 1.510 -1.421) 2.074 3.149 ( 0.000 1.031 0.109) 1.037 3.275 ( 0.000 -1.071 -0.274) 1.106 3.422 ( 0.000 -5.807 -4.121) 7.120 3.439 ( 0.000 -8.660 0.628) 8.682 4.021 ( 0.000 -6.801 -3.907) 7.843 4.095 ( 0.000 -7.970 4.389) 9.098 5.039 ( 0.000 14.590 0.561) 14.600 5.138 ( 0.000 11.403 -1.769) 11.539 5.472 ( 0.000 12.901 0.942) 12.936 5.477 ( 0.000 12.612 0.679) 12.631 6.605 ( 0.000 1.225 0.458) 1.307 6.682 ( 0.000 -1.828 -2.588) 3.168 6.697 ( 0.000 2.332 -1.279) 2.660 6.793 ( 0.000 -1.010 -3.026) 3.190 7.047 ( 0.000 4.892 -0.893) 4.973 7.179 ( 0.000 -1.114 1.952) 2.247 7.215 ( 0.000 -0.231 -1.813) 1.828 7.294 ( 0.000 -3.911 -0.140) 3.913 7.701 ( 0.000 3.312 -3.211) 4.612 7.747 ( 0.000 3.334 -5.059) 6.059 7.886 ( 0.000 3.780 -4.163) 5.623 7.933 ( 0.000 0.618 -5.252) 5.288 8.156 ( 0.000 5.566 2.136) 5.962 8.171 ( 0.000 5.226 1.592) 5.463 8.363 ( 0.000 2.681 4.418) 5.168 8.581 ( 0.000 -4.806 -0.961) 4.902 8.986 ( 0.000 2.307 -0.822) 2.449 9.037 ( 0.000 3.196 -2.575) 4.104 9.244 ( 0.000 -0.146 -1.542) 1.549 9.350 ( 0.000 -2.318 -3.713) 4.377 9.886 ( 0.000 -0.260 1.162) 1.191 9.966 ( 0.000 0.069 1.572) 1.574 9.977 ( 0.000 -3.506 -1.174) 3.697 10.076 ( 0.000 -4.603 -0.796) 4.671 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 1.700 8.107 0.667) 8.310 2.231 ( 0.694 9.632 -1.231) 9.735 2.252 ( -3.828 7.720 1.103) 8.688 2.258 ( -0.683 7.683 -1.703) 7.899 2.408 ( 1.020 1.004 0.892) 1.686 2.482 ( -1.167 0.438 0.297) 1.281 2.646 ( 3.790 3.469 -0.615) 5.175 2.747 ( -1.730 2.915 0.836) 3.491 2.768 ( -0.553 1.927 -1.088) 2.280 2.852 ( -3.646 -0.987 -1.676) 4.132 2.931 ( 1.503 -2.037 2.099) 3.289 2.991 ( -1.246 -0.769 0.947) 1.744 3.062 ( 0.881 2.277 -0.152) 2.446 3.129 ( -1.882 0.577 -0.428) 2.015 3.154 ( 2.636 0.769 -0.792) 2.858 3.228 ( -2.625 -0.111 -1.496) 3.023 3.514 ( 8.306 -6.986 2.693) 11.182 3.540 ( 8.828 -7.028 -2.877) 11.645 3.946 ( -7.087 -7.162 -4.369) 10.982 3.996 ( -9.483 -8.175 3.192) 12.921 5.096 ( 5.714 15.168 0.772) 16.227 5.202 ( 5.017 11.840 -1.582) 12.956 5.417 ( -4.022 12.822 1.362) 13.507 5.465 ( -2.415 11.586 0.367) 11.841 6.615 ( 1.085 1.550 0.212) 1.904 6.677 ( -1.425 2.984 -1.496) 3.629 6.700 ( 1.324 -2.522 -1.973) 3.465 6.776 ( -1.706 -1.341 -2.882) 3.608 7.067 ( 1.962 4.126 -0.879) 4.652 7.153 ( -2.069 0.476 0.489) 2.178 7.235 ( 1.514 -1.544 -0.648) 2.257 7.286 ( -0.856 -3.562 -0.169) 3.668 7.718 ( 1.782 3.673 -3.544) 5.406 7.758 ( 0.902 3.911 -5.014) 6.422 7.869 ( -1.584 3.078 -4.221) 5.458 7.889 ( -3.516 0.996 -4.094) 5.488 8.177 ( 1.923 5.784 2.297) 6.514 8.205 ( 2.054 5.548 1.450) 6.091 8.385 ( 2.803 0.952 3.270) 4.411 8.551 ( -3.183 -4.100 -0.535) 5.218 8.999 ( 1.298 2.940 -0.719) 3.293 9.039 ( 0.039 4.122 -1.788) 4.493 9.232 ( -0.692 -1.682 -2.401) 3.012 9.311 ( -3.539 -2.635 -3.724) 5.774 9.901 ( 1.425 -0.033 1.273) 1.911 9.957 ( -0.972 0.130 1.579) 1.858 10.002 ( 2.226 -3.698 -1.235) 4.490 10.069 ( -0.754 -4.490 -0.945) 4.649 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -3.922 7.257 1.580) 8.399 2.169 ( 3.922 7.257 1.580) 8.399 2.247 ( -0.796 9.015 -1.998) 9.268 2.247 ( 0.796 9.015 -1.998) 9.268 2.445 ( -2.379 0.749 1.105) 2.728 2.445 ( 2.379 0.749 1.105) 2.728 2.714 ( -2.485 4.245 0.663) 4.963 2.714 ( 2.485 4.245 0.663) 4.963 2.779 ( -2.656 0.055 -3.417) 4.328 2.779 ( 2.656 0.055 -3.417) 4.328 2.965 ( -1.658 -1.323 2.579) 3.339 2.965 ( 1.658 -1.323 2.579) 3.339 3.090 ( -1.991 0.837 -0.956) 2.362 3.090 ( 1.991 0.837 -0.956) 2.362 3.191 ( -1.624 0.823 -1.213) 2.188 3.191 ( 1.624 0.823 -1.213) 2.188 3.666 ( -1.452 -6.009 3.146) 6.936 3.666 ( 1.452 -6.009 3.146) 6.936 3.833 ( -1.272 -8.845 -3.502) 9.598 3.833 ( 1.272 -8.845 -3.502) 9.598 5.216 ( -5.089 15.270 0.133) 16.096 5.216 ( 5.089 15.270 0.133) 16.096 5.399 ( -3.327 10.418 0.525) 10.949 5.399 ( 3.327 10.418 0.525) 10.949 6.644 ( -1.803 2.377 -0.412) 3.012 6.644 ( 1.803 2.377 -0.412) 3.012 6.736 ( -2.254 -2.075 -2.524) 3.969 6.736 ( 2.254 -2.075 -2.524) 3.969 7.110 ( -2.393 2.399 -0.469) 3.421 7.110 ( 2.393 2.399 -0.469) 3.421 7.264 ( -1.409 -2.713 -0.281) 3.070 7.264 ( 1.409 -2.713 -0.281) 3.070 7.757 ( -1.597 4.685 -4.480) 6.677 7.757 ( 1.597 4.685 -4.480) 6.677 7.846 ( -0.196 1.318 -3.775) 4.003 7.846 ( 0.196 1.318 -3.775) 4.003 8.212 ( -1.223 6.076 2.300) 6.611 8.212 ( 1.223 6.076 2.300) 6.611 8.468 ( -5.172 -2.078 0.822) 5.635 8.468 ( 5.172 -2.078 0.822) 5.635 9.027 ( -1.375 4.407 -0.697) 4.669 9.027 ( 1.375 4.407 -0.697) 4.669 9.246 ( -2.509 -3.190 -3.621) 5.439 9.246 ( 2.509 -3.190 -3.621) 5.439 9.932 ( -1.597 0.201 1.481) 2.187 9.932 ( 1.597 0.201 1.481) 2.187 10.044 ( -1.908 -4.149 -1.185) 4.718 10.044 ( 1.908 -4.149 -1.185) 4.718 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 0.000 4.509 -2.479) 5.145 2.285 ( 0.000 -1.332 -3.749) 3.978 2.366 ( 0.000 2.889 1.061) 3.077 2.412 ( 0.000 0.953 1.125) 1.474 2.529 ( 0.000 7.529 0.816) 7.573 2.542 ( 0.000 9.139 -0.448) 9.150 2.676 ( 0.000 1.945 -0.260) 1.962 2.733 ( 0.000 -6.965 0.010) 6.965 2.760 ( 0.000 -1.331 0.144) 1.339 2.816 ( 0.000 -3.408 0.677) 3.475 2.918 ( 0.000 -0.256 1.113) 1.142 2.940 ( 0.000 -3.189 -0.638) 3.253 3.118 ( 0.000 2.227 0.371) 2.258 3.132 ( 0.000 0.706 -0.599) 0.926 3.203 ( 0.000 3.590 -1.640) 3.947 3.249 ( 0.000 -1.263 -0.495) 1.357 3.337 ( 0.000 -2.218 -2.675) 3.475 3.341 ( 0.000 -2.113 -1.261) 2.461 3.900 ( 0.000 -3.246 -0.919) 3.374 3.935 ( 0.000 -6.335 2.496) 6.809 5.270 ( 0.000 7.362 0.463) 7.377 5.304 ( 0.000 3.994 -0.315) 4.007 5.650 ( 0.000 4.649 0.430) 4.669 5.650 ( 0.000 4.567 0.391) 4.584 6.621 ( 0.000 0.648 -0.064) 0.651 6.640 ( 0.000 -1.470 -1.045) 1.804 6.756 ( 0.000 2.395 -1.770) 2.978 6.783 ( 0.000 -0.485 -2.366) 2.415 7.141 ( 0.000 4.302 -1.400) 4.524 7.177 ( 0.000 0.953 0.041) 0.954 7.201 ( 0.000 -1.365 -1.859) 2.307 7.220 ( 0.000 -3.517 -0.771) 3.600 7.748 ( 0.000 1.738 -3.545) 3.948 7.772 ( 0.000 -0.444 -4.301) 4.324 7.941 ( 0.000 1.570 -4.927) 5.171 7.948 ( 0.000 0.611 -5.414) 5.448 8.234 ( 0.000 2.215 1.083) 2.466 8.240 ( 0.000 1.654 0.851) 1.860 8.406 ( 0.000 2.502 2.573) 3.589 8.479 ( 0.000 -4.842 0.690) 4.890 9.024 ( 0.000 1.765 -1.196) 2.132 9.052 ( 0.000 -0.815 -2.769) 2.886 9.261 ( 0.000 1.562 -0.360) 1.603 9.301 ( 0.000 -2.404 -1.652) 2.917 9.894 ( 0.000 0.942 0.385) 1.017 9.923 ( 0.000 -2.054 -0.354) 2.085 9.976 ( 0.000 0.913 0.756) 1.185 10.007 ( 0.000 -2.400 0.121) 2.403 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 0.857 4.333 -1.671) 4.722 2.293 ( 0.842 -1.087 -2.985) 3.286 2.330 ( -2.964 2.576 0.671) 3.984 2.377 ( -2.891 0.032 0.300) 2.906 2.543 ( 1.104 8.896 0.657) 8.989 2.556 ( 0.899 9.906 -0.103) 9.947 2.708 ( 2.442 -0.987 -0.830) 2.761 2.729 ( -0.272 -6.234 -0.035) 6.240 2.756 ( 0.189 1.237 0.208) 1.268 2.834 ( 1.213 -2.796 0.580) 3.103 2.882 ( -2.616 -0.545 -0.729) 2.770 2.927 ( -1.540 -4.076 0.551) 4.392 3.125 ( 0.842 3.061 -0.307) 3.190 3.156 ( 1.392 0.451 -0.591) 1.579 3.181 ( -1.267 2.588 -1.481) 3.240 3.222 ( -1.612 -0.884 -1.204) 2.198 3.419 ( 7.922 -1.507 -0.437) 8.076 3.441 ( 8.728 -3.212 -0.980) 9.352 3.816 ( -8.198 -3.683 -0.900) 9.032 3.844 ( -8.827 -5.875 1.907) 10.774 5.334 ( 6.135 7.606 0.508) 9.785 5.371 ( 6.213 3.946 -0.287) 7.366 5.600 ( -4.677 5.273 0.571) 7.072 5.618 ( -3.799 3.523 0.264) 5.188 6.638 ( 1.738 0.909 -0.223) 1.974 6.659 ( 1.910 -1.383 -1.135) 2.617 6.733 ( -2.254 2.152 -1.362) 3.402 6.760 ( -2.318 -0.710 -2.078) 3.193 7.148 ( 0.681 3.741 -1.420) 4.059 7.173 ( -0.425 1.581 -0.419) 1.690 7.205 ( 0.371 -1.820 -1.599) 2.451 7.219 ( -0.152 -3.117 -0.908) 3.250 7.771 ( 2.343 1.869 -3.825) 4.860 7.794 ( 2.127 -0.132 -4.457) 4.940 7.908 ( -3.493 1.030 -5.093) 6.261 7.911 ( -2.873 0.926 -4.686) 5.574 8.265 ( 2.825 3.010 1.277) 4.321 8.284 ( 3.683 1.730 0.678) 4.125 8.394 ( -1.118 1.203 2.331) 2.851 8.457 ( -2.281 -4.655 0.703) 5.231 9.048 ( 2.477 2.184 -1.064) 3.470 9.076 ( 2.409 -0.165 -2.413) 3.414 9.220 ( -3.768 0.708 -0.662) 3.891 9.257 ( -4.183 -2.627 -1.812) 5.261 9.912 ( 1.705 1.085 0.458) 2.072 9.944 ( 1.888 -2.159 -0.287) 2.882 9.969 ( -0.766 0.996 0.700) 1.438 10.002 ( -0.650 -2.433 0.022) 2.519 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -2.562 3.893 -0.123) 4.662 2.269 ( 2.562 3.893 -0.123) 4.662 2.327 ( -2.168 -1.397 -1.560) 3.014 2.327 ( 2.168 -1.397 -1.560) 3.014 2.560 ( -0.510 10.138 0.335) 10.156 2.560 ( 0.510 10.138 0.335) 10.156 2.726 ( -0.191 -5.089 -0.217) 5.097 2.726 ( 0.191 -5.089 -0.217) 5.097 2.799 ( -3.581 3.641 -0.679) 5.152 2.799 ( 3.581 3.641 -0.679) 5.152 2.889 ( -2.155 -5.228 0.216) 5.659 2.889 ( 2.155 -5.228 0.216) 5.659 3.146 ( -1.272 3.615 -0.936) 3.946 3.146 ( 1.272 3.615 -0.936) 3.946 3.194 ( -1.436 -0.953 -1.088) 2.038 3.194 ( 1.436 -0.953 -1.088) 2.038 3.589 ( -3.667 -0.206 1.480) 3.959 3.589 ( 3.667 -0.206 1.480) 3.959 3.667 ( -3.432 -7.159 -1.126) 8.019 3.667 ( 3.432 -7.159 -1.126) 8.019 5.458 ( -3.950 8.363 0.102) 9.249 5.458 ( 3.950 8.363 0.102) 9.249 5.526 ( -3.389 1.721 0.462) 3.829 5.526 ( 3.389 1.721 0.462) 3.829 6.682 ( -2.772 1.533 -0.675) 3.239 6.682 ( 2.772 1.533 -0.675) 3.239 6.707 ( -2.954 -1.107 -1.514) 3.500 6.707 ( 2.954 -1.107 -1.514) 3.500 7.162 ( -0.701 2.684 -1.127) 2.994 7.162 ( 0.701 2.684 -1.127) 2.994 7.213 ( -0.462 -2.487 -1.212) 2.805 7.213 ( 0.462 -2.487 -1.212) 2.805 7.827 ( -2.387 2.379 -4.624) 5.722 7.827 ( 2.387 2.379 -4.624) 5.722 7.854 ( -1.832 -0.454 -4.424) 4.810 7.854 ( 1.832 -0.454 -4.424) 4.810 8.316 ( -1.613 4.631 1.446) 5.113 8.316 ( 1.613 4.631 1.446) 5.113 8.402 ( -2.894 -4.079 1.027) 5.106 8.402 ( 2.894 -4.079 1.027) 5.106 9.105 ( -2.089 3.732 -0.884) 4.367 9.105 ( 2.089 3.732 -0.884) 4.367 9.178 ( -2.350 -3.679 -2.078) 4.835 9.178 ( 2.350 -3.679 -2.078) 4.835 9.946 ( -1.593 1.184 0.614) 2.078 9.946 ( 1.593 1.184 0.614) 2.078 9.980 ( -1.614 -2.401 -0.176) 2.898 9.980 ( 1.614 -2.401 -0.176) 2.898 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.000 0.000 12.454) 12.454 1.312 ( 0.000 0.000 3.408) 3.408 1.421 ( 0.000 0.000 2.731) 2.731 1.744 ( 0.000 0.000 19.505) 19.505 1.869 ( 0.000 0.000 -9.639) 9.639 2.234 ( 0.000 0.000 -4.665) 4.665 2.242 ( 0.000 0.000 -4.624) 4.624 2.279 ( 0.000 0.000 12.112) 12.112 2.329 ( 0.000 0.000 -8.742) 8.742 2.588 ( 0.000 0.000 0.917) 0.917 2.645 ( 0.000 0.000 -1.599) 1.599 2.898 ( 0.000 0.000 6.557) 6.557 3.018 ( 0.000 0.000 0.446) 0.446 3.036 ( 0.000 0.000 17.078) 17.078 3.041 ( 0.000 0.000 2.597) 2.597 3.046 ( 0.000 0.000 2.417) 2.417 3.225 ( 0.000 0.000 3.881) 3.881 3.281 ( 0.000 0.000 2.720) 2.720 3.380 ( 0.000 0.000 -7.566) 7.566 4.093 ( 0.000 0.000 -6.522) 6.522 4.476 ( 0.000 0.000 5.758) 5.758 4.671 ( 0.000 0.000 -5.804) 5.804 5.156 ( 0.000 0.000 -1.427) 1.427 5.206 ( 0.000 0.000 -4.342) 4.342 6.486 ( 0.000 0.000 -0.737) 0.737 6.590 ( 0.000 0.000 -2.932) 2.932 6.857 ( 0.000 0.000 5.924) 5.924 6.926 ( 0.000 0.000 4.347) 4.347 6.960 ( 0.000 0.000 1.351) 1.351 7.056 ( 0.000 0.000 -1.288) 1.288 7.130 ( 0.000 0.000 -6.074) 6.074 7.142 ( 0.000 0.000 -4.736) 4.736 7.199 ( 0.000 0.000 0.852) 0.852 7.263 ( 0.000 0.000 -1.956) 1.956 7.326 ( 0.000 0.000 0.261) 0.261 7.335 ( 0.000 0.000 0.446) 0.446 7.601 ( 0.000 0.000 2.562) 2.562 7.685 ( 0.000 0.000 -1.282) 1.282 7.822 ( 0.000 0.000 1.652) 1.652 7.831 ( 0.000 0.000 1.326) 1.326 8.001 ( 0.000 0.000 1.624) 1.624 8.269 ( 0.000 0.000 -11.968) 11.968 9.663 ( 0.000 0.000 1.866) 1.866 9.686 ( 0.000 0.000 1.711) 1.711 10.254 ( 0.000 0.000 2.474) 2.474 10.294 ( 0.000 0.000 -1.124) 1.124 10.437 ( 0.000 0.000 -4.344) 4.344 10.535 ( 0.000 0.000 -11.180) 11.180 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 2.734 0.000 11.032) 11.365 1.287 ( -2.612 0.000 4.662) 5.343 1.439 ( 2.408 0.000 6.042) 6.504 1.675 ( -6.929 0.000 16.650) 18.034 1.881 ( 1.932 0.000 -4.952) 5.315 2.105 ( -9.457 0.000 3.277) 10.009 2.235 ( 0.126 0.000 -4.660) 4.661 2.241 ( -0.113 0.000 -4.635) 4.636 2.515 ( 10.921 0.000 -2.508) 11.205 2.597 ( 0.890 0.000 0.508) 1.024 2.637 ( -0.781 0.000 -1.265) 1.487 2.839 ( -5.413 0.000 5.286) 7.566 2.994 ( 2.515 0.000 3.893) 4.635 3.042 ( 0.070 0.000 2.563) 2.564 3.046 ( -0.090 0.000 2.436) 2.437 3.156 ( -1.671 0.000 -9.521) 9.667 3.262 ( 9.122 0.000 16.528) 18.878 3.295 ( 2.713 0.000 3.748) 4.627 3.356 ( -1.103 0.000 -0.698) 1.305 3.887 ( -16.124 0.000 1.406) 16.185 4.652 ( 12.624 0.000 -0.223) 12.626 4.755 ( 7.599 0.000 -6.514) 10.009 5.107 ( -4.783 0.000 -1.193) 4.930 5.156 ( -5.064 0.000 -4.130) 6.535 6.495 ( 1.027 0.000 -0.718) 1.253 6.568 ( -2.056 0.000 -2.078) 2.923 6.866 ( 0.942 0.000 5.756) 5.833 6.915 ( -1.098 0.000 4.670) 4.797 6.965 ( 0.729 0.000 0.002) 0.729 7.037 ( -1.981 0.000 -1.931) 2.766 7.130 ( 0.068 0.000 -5.668) 5.668 7.140 ( -0.263 0.000 -4.937) 4.944 7.211 ( 1.124 0.000 0.201) 1.141 7.256 ( -0.799 0.000 -1.663) 1.845 7.335 ( 2.025 0.000 1.957) 2.816 7.373 ( 2.190 0.000 1.353) 2.574 7.590 ( -1.056 0.000 2.107) 2.357 7.630 ( -4.163 0.000 0.822) 4.243 7.823 ( 0.139 0.000 1.603) 1.609 7.829 ( -0.114 0.000 1.372) 1.377 8.070 ( 5.828 0.000 -2.548) 6.361 8.247 ( -2.388 0.000 -10.925) 11.183 9.672 ( 0.853 0.000 2.148) 2.312 9.692 ( 0.283 0.000 1.949) 1.970 10.262 ( 1.434 0.000 1.438) 2.031 10.329 ( 2.429 0.000 -0.002) 2.429 10.409 ( -2.111 0.000 -5.890) 6.257 10.505 ( -3.004 0.000 -10.433) 10.857 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -3.764 0.000 7.763) 8.627 1.223 ( 3.764 0.000 7.763) 8.627 1.529 ( -7.093 0.000 12.037) 13.971 1.529 ( 7.093 0.000 12.037) 13.971 1.956 ( -6.112 0.000 0.246) 6.117 1.956 ( 6.112 0.000 0.246) 6.117 2.238 ( -0.170 0.000 -4.650) 4.653 2.238 ( 0.170 0.000 -4.650) 4.653 2.618 ( -1.178 0.000 -0.416) 1.249 2.618 ( 1.178 0.000 -0.416) 1.249 2.706 ( -8.874 0.000 -1.661) 9.029 2.706 ( 8.874 0.000 -1.661) 9.029 3.043 ( -0.115 0.000 2.492) 2.495 3.043 ( 0.115 0.000 2.492) 2.495 3.072 ( -5.091 0.000 -0.614) 5.128 3.072 ( 5.091 0.000 -0.614) 5.128 3.310 ( -1.508 0.000 0.976) 1.796 3.310 ( 1.508 0.000 0.976) 1.796 3.571 ( -16.742 0.000 10.078) 19.542 3.571 ( 16.742 0.000 10.078) 19.542 4.836 ( -3.952 0.000 -5.333) 6.637 4.836 ( 3.952 0.000 -5.333) 6.637 5.053 ( -2.981 0.000 -1.989) 3.583 5.053 ( 2.981 0.000 -1.989) 3.583 6.525 ( -2.134 0.000 -0.990) 2.353 6.525 ( 2.134 0.000 -0.990) 2.353 6.890 ( -1.430 0.000 5.286) 5.476 6.890 ( 1.430 0.000 5.286) 5.476 6.993 ( -2.226 0.000 -1.807) 2.867 6.993 ( 2.226 0.000 -1.807) 2.867 7.134 ( -0.308 0.000 -5.239) 5.248 7.134 ( 0.308 0.000 -5.239) 5.248 7.235 ( -1.285 0.000 -0.866) 1.550 7.235 ( 1.285 0.000 -0.866) 1.550 7.381 ( -1.734 0.000 3.189) 3.630 7.381 ( 1.734 0.000 3.189) 3.630 7.579 ( -0.774 0.000 1.374) 1.577 7.579 ( 0.774 0.000 1.374) 1.577 7.827 ( -0.179 0.000 1.486) 1.497 7.827 ( 0.179 0.000 1.486) 1.497 8.177 ( -4.922 0.000 -7.734) 9.168 8.177 ( 4.922 0.000 -7.734) 9.168 9.688 ( -0.678 0.000 2.331) 2.427 9.688 ( 0.678 0.000 2.331) 2.427 10.311 ( -3.308 0.000 1.027) 3.464 10.311 ( 3.308 0.000 1.027) 3.464 10.434 ( -3.986 0.000 -8.850) 9.706 10.434 ( 3.986 0.000 -8.850) 9.706 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 20.184 10.897) 22.938 1.506 ( 0.000 12.597 1.985) 12.753 1.575 ( 0.000 15.657 7.373) 17.306 1.781 ( 0.000 10.292 13.995) 17.372 1.863 ( 0.000 -0.148 -8.047) 8.048 2.246 ( 0.000 2.621 -0.237) 2.631 2.266 ( 0.000 -3.861 -7.279) 8.240 2.286 ( 0.000 4.364 -4.800) 6.487 2.356 ( 0.000 5.537 5.007) 7.466 2.701 ( 0.000 8.363 0.764) 8.398 2.782 ( 0.000 12.154 -1.224) 12.215 2.863 ( 0.000 -2.772 4.367) 5.173 3.007 ( 0.000 -0.638 0.168) 0.660 3.014 ( 0.000 -0.009 12.695) 12.695 3.070 ( 0.000 2.609 2.864) 3.874 3.147 ( 0.000 4.441 -3.079) 5.404 3.224 ( 0.000 2.853 13.502) 13.800 3.295 ( 0.000 2.052 2.957) 3.599 3.426 ( 0.000 4.875 -7.559) 8.994 4.071 ( 0.000 -2.206 -6.276) 6.652 4.494 ( 0.000 2.192 5.609) 6.022 4.675 ( 0.000 0.680 -4.786) 4.834 5.122 ( 0.000 -3.418 -1.562) 3.758 5.158 ( 0.000 -4.784 -4.416) 6.511 6.476 ( 0.000 -0.229 0.385) 0.448 6.580 ( 0.000 -0.805 -2.403) 2.535 6.902 ( 0.000 -3.235 -0.566) 3.284 6.916 ( 0.000 0.274 0.480) 0.552 7.062 ( 0.000 4.751 1.145) 4.887 7.069 ( 0.000 10.973 2.474) 11.249 7.151 ( 0.000 -0.559 0.537) 0.775 7.205 ( 0.000 6.537 -3.818) 7.571 7.295 ( 0.000 10.476 -2.206) 10.706 7.306 ( 0.000 1.386 -0.646) 1.529 7.388 ( 0.000 4.025 1.176) 4.193 7.416 ( 0.000 9.413 -0.964) 9.462 7.614 ( 0.000 2.448 3.378) 4.172 7.782 ( 0.000 10.546 -4.826) 11.598 7.804 ( 0.000 -1.634 0.333) 1.668 7.836 ( 0.000 0.955 -0.128) 0.963 8.094 ( 0.000 8.758 2.753) 9.181 8.315 ( 0.000 5.102 -9.926) 11.161 9.617 ( 0.000 -4.567 0.959) 4.667 9.626 ( 0.000 -5.851 1.119) 5.957 10.221 ( 0.000 -3.232 2.685) 4.202 10.270 ( 0.000 -2.436 -1.446) 2.833 10.363 ( 0.000 -6.706 -2.484) 7.151 10.489 ( 0.000 -4.428 -10.134) 11.059 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.604 12.036 10.568) 16.028 1.493 ( -0.156 19.265 5.495) 20.034 1.598 ( 1.093 15.251 6.625) 16.664 1.718 ( -5.666 12.522 12.974) 18.901 1.876 ( 1.930 0.080 -5.483) 5.813 2.091 ( -8.736 0.149 -0.444) 8.748 2.289 ( 0.317 3.743 -5.111) 6.343 2.297 ( 0.120 4.490 -5.201) 6.872 2.481 ( 8.727 0.392 2.102) 8.985 2.701 ( -1.169 6.633 1.720) 6.952 2.761 ( -0.621 9.708 -0.407) 9.737 2.843 ( -2.037 0.884 1.618) 2.747 2.988 ( 1.609 0.262 3.839) 4.171 3.057 ( 0.235 0.964 3.214) 3.363 3.077 ( 0.652 2.537 2.736) 3.788 3.146 ( -2.420 -1.075 -7.027) 7.510 3.308 ( 3.291 3.965 5.865) 7.807 3.319 ( 9.552 4.320 13.510) 17.101 3.397 ( -2.519 4.722 -3.660) 6.484 3.885 ( -15.009 -0.000 0.956) 15.039 4.653 ( 11.887 0.389 0.233) 11.896 4.751 ( 7.005 -0.183 -5.653) 9.003 5.071 ( -4.967 -3.509 -1.265) 6.212 5.111 ( -4.788 -4.409 -3.983) 7.631 6.487 ( 1.114 -0.265 0.207) 1.164 6.559 ( -1.980 -0.684 -1.604) 2.638 6.901 ( 0.010 -2.731 -0.723) 2.825 6.913 ( -0.343 -0.773 -0.076) 0.849 7.061 ( 0.031 8.445 1.677) 8.610 7.070 ( -0.035 8.396 1.916) 8.612 7.164 ( 1.240 0.196 0.163) 1.265 7.211 ( 0.263 7.280 -3.483) 8.074 7.264 ( -2.143 2.619 -1.039) 3.540 7.283 ( -1.512 6.598 -2.481) 7.210 7.441 ( 4.119 5.015 1.816) 6.738 7.458 ( 3.852 10.473 0.244) 11.161 7.594 ( -2.028 1.588 2.841) 3.835 7.686 ( -6.361 6.491 -0.708) 9.116 7.839 ( 0.701 1.849 -0.522) 2.045 7.840 ( 0.529 1.521 -0.893) 1.842 8.147 ( 4.636 7.695 -1.026) 9.042 8.295 ( -2.112 5.318 -8.946) 10.619 9.622 ( 0.580 -4.955 1.333) 5.163 9.633 ( 0.434 -5.634 1.216) 5.780 10.228 ( 1.124 -3.350 1.895) 4.010 10.298 ( 1.486 -3.111 0.323) 3.463 10.344 ( -0.757 -5.791 -4.839) 7.585 10.461 ( -2.839 -4.236 -9.489) 10.773 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -2.269 11.682 9.279) 15.090 1.476 ( 2.269 11.682 9.279) 15.090 1.625 ( -3.038 17.978 9.503) 20.561 1.625 ( 3.038 17.978 9.503) 20.561 1.950 ( -5.948 0.446 -2.308) 6.395 1.950 ( 5.948 0.446 -2.308) 6.395 2.295 ( -0.257 4.374 -5.067) 6.699 2.295 ( 0.257 4.374 -5.067) 6.699 2.626 ( -6.215 1.425 2.589) 6.882 2.626 ( 6.215 1.425 2.589) 6.882 2.793 ( -2.935 6.860 -2.233) 7.788 2.793 ( 2.935 6.860 -2.233) 7.788 3.037 ( -2.478 -0.576 1.774) 3.102 3.037 ( 2.478 -0.576 1.774) 3.102 3.095 ( -1.754 2.219 0.346) 2.849 3.095 ( 1.754 2.219 0.346) 2.849 3.346 ( -2.393 4.167 0.026) 4.805 3.346 ( 2.393 4.167 0.026) 4.805 3.588 ( -15.797 2.242 9.435) 18.536 3.588 ( 15.797 2.242 9.435) 18.536 4.831 ( -3.876 -0.358 -5.078) 6.398 4.831 ( 3.876 -0.358 -5.078) 6.398 5.010 ( -2.921 -4.143 -1.491) 5.284 5.010 ( 2.921 -4.143 -1.491) 5.284 6.518 ( -2.110 -0.425 -0.419) 2.192 6.518 ( 2.110 -0.425 -0.419) 2.192 6.905 ( -0.410 -2.003 -0.685) 2.156 6.905 ( 0.410 -2.003 -0.685) 2.156 7.065 ( -0.385 8.954 1.712) 9.124 7.065 ( 0.385 8.954 1.712) 9.124 7.194 ( -1.784 3.397 -0.987) 3.962 7.194 ( 1.784 3.397 -0.987) 3.962 7.256 ( -1.083 4.542 -2.632) 5.360 7.256 ( 1.083 4.542 -2.632) 5.360 7.510 ( -1.678 10.196 3.035) 10.769 7.510 ( 1.678 10.196 3.035) 10.769 7.578 ( -3.644 1.907 0.180) 4.116 7.578 ( 3.644 1.907 0.180) 4.116 7.845 ( -0.141 1.721 -0.471) 1.790 7.845 ( 0.141 1.721 -0.471) 1.790 8.235 ( -4.191 6.157 -5.954) 9.536 8.235 ( 4.191 6.157 -5.954) 9.536 9.633 ( -0.413 -5.375 1.526) 5.602 9.633 ( 0.413 -5.375 1.526) 5.602 10.267 ( -2.801 -4.190 1.319) 5.210 10.267 ( 2.801 -4.190 1.319) 5.210 10.392 ( -4.029 -3.904 -7.755) 9.571 10.392 ( 4.029 -3.904 -7.755) 9.571 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.000 11.552 1.715) 11.678 1.694 ( 0.000 4.023 14.762) 15.301 1.870 ( 0.000 1.593 -4.279) 4.565 1.918 ( 0.000 16.524 10.562) 19.611 2.166 ( 0.000 14.179 3.895) 14.704 2.197 ( 0.000 -2.456 -5.964) 6.450 2.411 ( 0.000 14.234 -8.217) 16.435 2.440 ( 0.000 10.075 -5.195) 11.335 2.464 ( 0.000 8.062 6.971) 10.658 2.796 ( 0.000 -3.392 0.796) 3.485 2.852 ( 0.000 6.174 0.678) 6.211 2.966 ( 0.000 1.927 -2.931) 3.508 3.026 ( 0.000 3.862 1.435) 4.120 3.035 ( 0.000 1.632 12.303) 12.411 3.135 ( 0.000 -1.755 -5.635) 5.902 3.135 ( 0.000 3.632 2.656) 4.500 3.413 ( 0.000 11.394 13.411) 17.598 3.429 ( 0.000 13.334 2.823) 13.629 3.580 ( 0.000 11.312 -6.291) 12.943 4.007 ( 0.000 -4.410 -5.224) 6.837 4.585 ( 0.000 7.582 4.524) 8.829 4.719 ( 0.000 4.472 -2.263) 5.012 5.027 ( 0.000 -5.825 -1.997) 6.158 5.031 ( 0.000 -7.509 -4.599) 8.806 6.489 ( 0.000 1.512 0.672) 1.655 6.566 ( 0.000 -0.353 -1.547) 1.587 6.839 ( 0.000 -3.132 -1.594) 3.514 6.869 ( 0.000 -3.041 -1.861) 3.565 7.081 ( 0.000 -2.614 4.688) 5.367 7.233 ( 0.000 5.889 -0.781) 5.941 7.249 ( 0.000 3.927 -3.367) 5.173 7.252 ( 0.000 1.595 -1.218) 2.007 7.421 ( 0.000 1.977 1.461) 2.458 7.452 ( 0.000 6.662 0.280) 6.667 7.574 ( 0.000 10.688 -0.064) 10.688 7.578 ( 0.000 14.574 -0.772) 14.594 7.718 ( 0.000 2.601 2.500) 3.607 7.844 ( 0.000 -0.109 -3.209) 3.211 7.865 ( 0.000 12.360 2.569) 12.625 8.080 ( 0.000 17.610 -7.736) 19.235 8.332 ( 0.000 14.844 2.695) 15.086 8.479 ( 0.000 11.039 -6.138) 12.630 9.476 ( 0.000 -8.650 -0.406) 8.660 9.493 ( 0.000 -7.402 -1.358) 7.526 10.133 ( 0.000 -5.342 2.810) 6.036 10.202 ( 0.000 -4.214 -2.081) 4.700 10.217 ( 0.000 -7.035 0.865) 7.088 10.376 ( 0.000 -6.515 -7.572) 9.989 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -2.270 8.553 9.774) 13.185 1.691 ( -3.446 6.439 8.732) 11.383 1.898 ( 3.904 3.299 -3.043) 5.949 1.971 ( 4.352 16.330 8.122) 18.751 2.092 ( -5.375 5.460 -1.911) 7.896 2.170 ( -3.633 11.644 3.628) 12.726 2.408 ( 0.006 11.638 -7.686) 13.947 2.422 ( -0.539 7.553 -6.577) 10.030 2.553 ( 6.482 7.428 3.431) 10.438 2.773 ( -3.163 -0.739 0.369) 3.269 2.862 ( 1.261 4.496 1.323) 4.854 2.928 ( -1.970 3.541 1.252) 4.241 3.025 ( 0.049 2.223 1.787) 2.852 3.062 ( -0.402 -0.318 4.802) 4.829 3.118 ( 0.641 0.555 -1.885) 2.067 3.146 ( 0.108 2.425 0.891) 2.586 3.442 ( 2.307 10.907 4.757) 12.121 3.472 ( 3.728 9.181 8.165) 12.840 3.582 ( 1.336 14.340 -3.357) 14.789 3.897 ( -9.763 1.130 -1.017) 9.880 4.684 ( 8.584 3.357 1.362) 9.317 4.767 ( 4.652 2.574 -3.148) 6.179 4.982 ( -4.419 -4.994 -2.093) 6.989 4.994 ( -3.982 -6.824 -3.444) 8.619 6.496 ( 0.771 1.266 0.540) 1.578 6.550 ( -1.538 -0.047 -0.903) 1.783 6.842 ( 0.324 -3.008 -1.883) 3.563 6.864 ( -0.549 -2.930 -2.073) 3.631 7.098 ( 1.669 -2.313 3.635) 4.620 7.184 ( -2.725 0.695 -0.589) 2.874 7.267 ( 1.690 7.232 -1.300) 7.540 7.306 ( 3.009 4.302 -1.914) 5.588 7.389 ( -2.378 5.100 1.030) 5.721 7.439 ( -1.854 4.572 -0.722) 4.986 7.569 ( 0.936 10.218 0.422) 10.269 7.602 ( 0.545 7.587 -0.834) 7.652 7.737 ( 2.156 6.130 2.755) 7.058 7.839 ( -1.761 7.740 1.627) 8.103 7.877 ( 2.496 7.915 -2.059) 8.550 8.034 ( -4.251 16.561 -5.328) 17.909 8.365 ( 2.900 13.771 -0.128) 14.073 8.464 ( -1.574 11.264 -5.492) 12.630 9.481 ( 0.518 -8.579 -0.328) 8.601 9.495 ( 0.053 -7.835 -1.016) 7.901 10.139 ( 0.751 -5.282 2.522) 5.901 10.199 ( -1.570 -6.302 1.816) 6.744 10.234 ( 2.773 -4.910 -3.819) 6.810 10.354 ( -2.301 -6.180 -7.148) 9.725 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -3.039 7.398 10.595) 13.275 1.615 ( 3.039 7.398 10.595) 13.275 1.985 ( -4.729 4.522 -4.663) 8.035 1.985 ( 4.729 4.522 -4.663) 8.035 2.077 ( -5.409 15.952 8.020) 18.656 2.077 ( 5.409 15.952 8.020) 18.656 2.413 ( -0.432 8.738 -7.646) 11.619 2.413 ( 0.432 8.738 -7.646) 11.619 2.678 ( -6.347 3.831 1.249) 7.518 2.678 ( 6.347 3.831 1.249) 7.518 2.895 ( -1.871 2.983 1.132) 3.699 2.895 ( 1.871 2.983 1.132) 3.699 3.035 ( -1.226 0.495 2.263) 2.621 3.035 ( 1.226 0.495 2.263) 2.621 3.140 ( -0.833 1.862 0.518) 2.105 3.140 ( 0.833 1.862 0.518) 2.105 3.485 ( -1.852 9.076 1.785) 9.434 3.485 ( 1.852 9.076 1.785) 9.434 3.700 ( -9.999 9.755 3.636) 14.435 3.700 ( 9.999 9.755 3.636) 14.435 4.834 ( -3.809 1.031 -3.962) 5.592 4.834 ( 3.809 1.031 -3.962) 5.592 4.906 ( -2.182 -5.555 -0.655) 6.004 4.906 ( 2.182 -5.555 -0.655) 6.004 6.519 ( -1.558 0.642 0.045) 1.686 6.519 ( 1.558 0.642 0.045) 1.686 6.851 ( -0.677 -2.863 -2.190) 3.667 6.851 ( 0.677 -2.863 -2.190) 3.667 7.137 ( -2.292 -1.227 1.309) 2.911 7.137 ( 2.292 -1.227 1.309) 2.911 7.310 ( -2.448 7.618 -0.177) 8.004 7.310 ( 2.448 7.618 -0.177) 8.004 7.391 ( -2.674 4.435 -1.356) 5.353 7.391 ( 2.674 4.435 -1.356) 5.353 7.594 ( -1.192 5.566 -0.035) 5.692 7.594 ( 1.192 5.566 -0.035) 5.692 7.790 ( -3.041 9.278 2.570) 10.096 7.790 ( 3.041 9.278 2.570) 10.096 7.946 ( -4.540 12.439 -3.159) 13.613 7.946 ( 4.540 12.439 -3.159) 13.613 8.421 ( -2.794 12.156 -3.515) 12.959 8.421 ( 2.794 12.156 -3.515) 12.959 9.491 ( -0.444 -8.386 -0.459) 8.411 9.491 ( 0.444 -8.386 -0.459) 8.411 10.164 ( -1.803 -5.666 2.104) 6.308 10.164 ( 1.803 -5.666 2.104) 6.308 10.296 ( -3.511 -5.456 -5.745) 8.666 10.296 ( 3.511 -5.456 -5.745) 8.666 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 0.000 7.652 10.605) 13.078 1.912 ( 0.000 12.745 -0.075) 12.746 1.932 ( 0.000 4.772 -0.540) 4.803 2.102 ( 0.000 2.713 10.682) 11.021 2.214 ( 0.000 5.582 -6.966) 8.926 2.340 ( 0.000 5.993 0.719) 6.036 2.512 ( 0.000 3.512 -2.504) 4.313 2.595 ( 0.000 4.078 -0.011) 4.078 2.731 ( 0.000 -2.300 -1.770) 2.902 2.789 ( 0.000 12.809 -1.890) 12.948 2.962 ( 0.000 4.693 0.328) 4.704 2.975 ( 0.000 0.720 -1.686) 1.833 3.037 ( 0.000 -1.513 6.695) 6.864 3.061 ( 0.000 0.028 2.473) 2.473 3.142 ( 0.000 2.071 -1.915) 2.820 3.204 ( 0.000 3.241 0.354) 3.260 3.539 ( 0.000 0.846 2.485) 2.625 3.736 ( 0.000 10.172 -3.545) 10.772 3.907 ( 0.000 19.798 2.123) 19.911 3.912 ( 0.000 -1.116 1.891) 2.195 4.769 ( 0.000 6.306 1.466) 6.474 4.844 ( 0.000 1.844 -2.895) 3.432 4.929 ( 0.000 4.947 -1.755) 5.249 4.942 ( 0.000 2.370 -1.112) 2.618 6.530 ( 0.000 2.436 0.329) 2.458 6.572 ( 0.000 0.946 -1.077) 1.433 6.775 ( 0.000 -3.377 -1.702) 3.782 6.814 ( 0.000 -2.643 -2.831) 3.873 7.027 ( 0.000 -2.201 5.038) 5.498 7.214 ( 0.000 -1.901 -2.498) 3.139 7.287 ( 0.000 -0.237 1.028) 1.055 7.348 ( 0.000 2.058 -3.666) 4.204 7.487 ( 0.000 4.819 -0.151) 4.822 7.506 ( 0.000 2.795 0.557) 2.850 7.717 ( 0.000 1.564 0.301) 1.593 7.807 ( 0.000 3.641 -2.853) 4.626 7.865 ( 0.000 12.365 0.631) 12.381 7.879 ( 0.000 8.229 -0.889) 8.277 8.160 ( 0.000 14.397 5.590) 15.444 8.399 ( 0.000 13.105 -6.399) 14.584 8.643 ( 0.000 15.265 1.120) 15.306 8.710 ( 0.000 11.167 -3.145) 11.601 9.312 ( 0.000 -7.179 -1.930) 7.434 9.354 ( 0.000 -5.903 -3.890) 7.069 10.028 ( 0.000 -4.791 2.619) 5.461 10.101 ( 0.000 -4.692 2.596) 5.362 10.111 ( 0.000 -4.770 -2.274) 5.284 10.247 ( 0.000 -6.245 -4.836) 7.899 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -1.349 9.518 9.733) 13.680 1.854 ( -3.981 9.157 3.465) 10.569 1.996 ( 4.292 6.845 -2.077) 8.342 2.121 ( 0.007 0.936 3.444) 3.569 2.206 ( 0.890 8.530 -0.590) 8.596 2.321 ( -2.013 5.462 1.942) 6.136 2.525 ( 1.478 3.565 -5.004) 6.319 2.600 ( -0.387 5.548 -3.341) 6.488 2.721 ( 0.014 -2.180 0.230) 2.193 2.784 ( -1.104 9.365 1.911) 9.622 2.952 ( -0.212 1.044 -2.015) 2.279 2.974 ( -0.222 4.218 0.278) 4.233 3.033 ( 0.100 0.142 4.132) 4.135 3.067 ( -0.242 0.381 1.845) 1.900 3.139 ( 0.370 1.681 0.014) 1.721 3.192 ( -1.240 1.611 0.319) 2.058 3.582 ( 4.102 3.448 3.141) 6.211 3.743 ( -1.079 13.926 -0.157) 13.969 3.860 ( -0.386 3.281 0.209) 3.310 3.940 ( -0.223 10.771 -0.658) 10.794 4.780 ( 1.364 2.577 1.671) 3.360 4.852 ( 0.022 2.347 -1.355) 2.710 4.911 ( -0.868 3.933 -1.819) 4.420 4.940 ( -0.601 6.133 -2.103) 6.512 6.533 ( 0.322 2.280 0.274) 2.319 6.561 ( -0.927 1.233 -0.617) 1.661 6.780 ( 0.566 -3.231 -1.936) 3.809 6.808 ( -0.572 -2.755 -2.749) 3.933 7.049 ( 2.149 -2.058 3.679) 4.732 7.165 ( -3.523 -1.463 -1.080) 3.964 7.327 ( 2.704 -0.894 0.351) 2.869 7.371 ( 1.871 0.318 -2.600) 3.219 7.471 ( -1.168 5.498 0.041) 5.621 7.501 ( -0.691 4.233 -0.321) 4.301 7.703 ( -0.854 2.680 -0.306) 2.829 7.747 ( -3.633 4.320 -1.886) 5.952 7.899 ( 2.900 10.492 1.047) 10.936 7.934 ( 2.782 7.537 -1.208) 8.125 8.179 ( 2.401 14.922 4.215) 15.690 8.357 ( -4.241 13.915 -4.247) 15.155 8.652 ( 0.993 14.123 -0.308) 14.161 8.701 ( -0.979 11.564 -2.981) 11.982 9.317 ( 0.509 -7.286 -2.036) 7.582 9.346 ( -0.717 -6.453 -3.371) 7.316 10.037 ( 0.912 -4.607 2.638) 5.387 10.089 ( -1.224 -4.575 2.630) 5.417 10.136 ( 2.357 -4.923 -2.927) 6.193 10.231 ( -1.691 -5.966 -4.696) 7.778 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -2.140 10.002 7.516) 12.693 1.790 ( 2.140 10.002 7.516) 12.693 2.075 ( -3.810 4.366 -3.392) 6.714 2.075 ( 3.810 4.366 -3.392) 6.714 2.264 ( -3.825 6.314 4.471) 8.630 2.264 ( 3.825 6.314 4.471) 8.630 2.566 ( -2.597 4.866 -7.291) 9.142 2.566 ( 2.597 4.866 -7.291) 9.142 2.747 ( -2.273 1.557 4.116) 4.953 2.747 ( 2.273 1.557 4.116) 4.953 2.963 ( -0.903 4.197 -1.337) 4.497 2.963 ( 0.903 4.197 -1.337) 4.497 3.047 ( -1.318 0.679 2.292) 2.730 3.047 ( 1.318 0.679 2.292) 2.730 3.162 ( -1.711 0.561 0.651) 1.915 3.162 ( 1.711 0.561 0.651) 1.915 3.673 ( -5.064 9.015 3.730) 10.992 3.673 ( 5.064 9.015 3.730) 10.992 3.903 ( -3.200 7.388 -2.640) 8.473 3.903 ( 3.200 7.388 -2.640) 8.473 4.821 ( -2.633 -0.320 1.374) 2.987 4.821 ( 2.633 -0.320 1.374) 2.987 4.920 ( -1.251 7.637 -2.851) 8.247 4.920 ( 1.251 7.637 -2.851) 8.247 6.544 ( -0.821 1.821 0.004) 1.998 6.544 ( 0.821 1.821 0.004) 1.998 6.794 ( -0.830 -2.973 -2.401) 3.911 6.794 ( 0.830 -2.973 -2.401) 3.911 7.101 ( -3.186 -1.716 1.024) 3.761 7.101 ( 3.186 -1.716 1.024) 3.761 7.374 ( -1.910 -1.711 -0.002) 2.565 7.374 ( 1.910 -1.711 -0.002) 2.565 7.476 ( -1.652 6.437 -1.159) 6.746 7.476 ( 1.652 6.437 -1.159) 6.746 7.702 ( -1.039 3.566 -1.071) 3.865 7.702 ( 1.039 3.566 -1.071) 3.865 7.946 ( -1.472 8.666 0.500) 8.804 7.946 ( 1.472 8.666 0.500) 8.804 8.258 ( -5.492 14.858 -0.041) 15.840 8.258 ( 5.492 14.858 -0.041) 15.840 8.677 ( -1.449 12.549 -2.178) 12.818 8.677 ( 1.449 12.549 -2.178) 12.818 9.331 ( -0.845 -7.189 -2.506) 7.660 9.331 ( 0.845 -7.189 -2.506) 7.660 10.061 ( -1.547 -4.451 2.662) 5.412 10.061 ( 1.547 -4.451 2.662) 5.412 10.187 ( -2.789 -5.376 -4.061) 7.292 10.187 ( 2.789 -5.376 -4.061) 7.292 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 0.000 8.389 5.474) 10.017 2.060 ( 0.000 8.276 1.273) 8.374 2.129 ( 0.000 4.774 3.065) 5.673 2.157 ( 0.000 8.203 -0.752) 8.237 2.344 ( 0.000 6.240 -3.664) 7.236 2.400 ( 0.000 0.716 -0.994) 1.225 2.611 ( 0.000 -0.500 4.569) 4.596 2.621 ( 0.000 7.189 -1.252) 7.297 2.730 ( 0.000 1.566 -3.905) 4.207 2.894 ( 0.000 -0.164 -6.989) 6.991 3.001 ( 0.000 -1.590 4.681) 4.943 3.006 ( 0.000 1.060 2.931) 3.117 3.041 ( 0.000 3.319 0.855) 3.427 3.071 ( 0.000 1.726 2.957) 3.424 3.172 ( 0.000 0.512 0.024) 0.512 3.251 ( 0.000 1.122 -2.134) 2.411 3.483 ( 0.000 -5.463 -0.209) 5.467 3.628 ( 0.000 -11.467 -4.737) 12.407 4.049 ( 0.000 3.584 3.760) 5.195 4.202 ( 0.000 5.418 0.419) 5.434 4.807 ( 0.000 6.534 0.214) 6.537 4.872 ( 0.000 7.373 -3.351) 8.099 5.194 ( 0.000 16.456 0.652) 16.469 5.195 ( 0.000 16.025 0.686) 16.040 6.578 ( 0.000 2.181 0.129) 2.185 6.604 ( 0.000 2.185 -1.185) 2.486 6.710 ( 0.000 -2.980 -1.095) 3.174 6.764 ( 0.000 -2.279 -3.117) 3.862 7.012 ( 0.000 0.778 3.922) 3.998 7.184 ( 0.000 -1.101 -2.766) 2.977 7.256 ( 0.000 -2.289 1.517) 2.746 7.334 ( 0.000 -2.537 -2.960) 3.899 7.586 ( 0.000 4.482 0.016) 4.482 7.587 ( 0.000 4.863 -1.373) 5.053 7.755 ( 0.000 2.408 -1.639) 2.913 7.823 ( 0.000 0.303 -4.584) 4.594 8.067 ( 0.000 8.468 1.734) 8.644 8.072 ( 0.000 8.515 1.278) 8.610 8.377 ( 0.000 7.014 5.376) 8.838 8.563 ( 0.000 3.349 -3.747) 5.026 8.887 ( 0.000 6.416 -1.019) 6.497 8.888 ( 0.000 8.820 -0.668) 8.845 9.216 ( 0.000 -2.197 -1.988) 2.963 9.281 ( 0.000 -1.540 -4.979) 5.212 9.953 ( 0.000 -2.869 2.136) 3.577 10.023 ( 0.000 -4.011 -1.710) 4.360 10.030 ( 0.000 -2.539 2.395) 3.490 10.136 ( 0.000 -4.964 -2.799) 5.698 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 0.267 9.412 5.046) 10.683 2.038 ( -2.112 9.740 1.960) 10.157 2.136 ( 0.523 4.588 0.785) 4.684 2.154 ( -0.253 4.578 -0.632) 4.628 2.352 ( 1.147 6.071 -1.634) 6.391 2.405 ( -0.098 3.090 -0.820) 3.198 2.604 ( 0.667 3.981 -1.823) 4.429 2.660 ( 2.720 2.041 3.598) 4.951 2.703 ( -2.098 1.511 -4.171) 4.907 2.872 ( -6.715 0.771 4.634) 8.195 2.941 ( 2.800 -1.582 -5.552) 6.416 3.020 ( 0.243 0.489 2.185) 2.252 3.067 ( -0.301 1.655 2.876) 3.332 3.087 ( 0.823 2.198 0.282) 2.364 3.169 ( -0.293 0.931 -0.022) 0.976 3.197 ( -3.225 -1.030 -0.761) 3.470 3.588 ( 9.009 -2.562 -0.093) 9.366 3.718 ( 8.707 -9.580 -4.053) 13.565 3.960 ( -8.289 2.790 3.008) 9.248 4.118 ( -8.490 0.998 -1.026) 8.610 4.847 ( 4.444 9.683 1.519) 10.762 4.931 ( 3.927 9.014 -2.455) 10.134 5.154 ( -2.514 15.630 1.176) 15.875 5.190 ( -1.637 15.230 -0.461) 15.325 6.580 ( 0.229 2.291 0.062) 2.303 6.597 ( -0.557 2.320 -0.817) 2.522 6.717 ( 0.774 -2.937 -1.358) 3.327 6.755 ( -0.827 -2.440 -2.781) 3.791 7.033 ( 2.075 0.529 2.659) 3.414 7.143 ( -3.172 -0.620 -1.472) 3.552 7.285 ( 2.067 -2.761 0.536) 3.490 7.335 ( -0.203 -3.061 -2.017) 3.671 7.583 ( 0.348 5.218 -0.784) 5.288 7.599 ( 0.465 4.922 -1.113) 5.067 7.748 ( -0.514 2.230 -1.797) 2.910 7.789 ( -2.749 1.062 -3.465) 4.549 8.087 ( 1.813 8.258 1.665) 8.617 8.100 ( 2.002 7.993 0.729) 8.272 8.397 ( 2.280 6.640 4.276) 8.220 8.536 ( -2.864 3.974 -2.437) 5.472 8.884 ( -0.030 8.280 -0.887) 8.328 8.890 ( -0.023 7.782 -1.045) 7.852 9.214 ( -0.023 -2.992 -2.440) 3.861 9.259 ( -1.948 -2.377 -4.473) 5.427 9.965 ( 1.220 -2.661 2.228) 3.678 10.020 ( -1.073 -2.460 2.404) 3.603 10.046 ( 2.149 -4.052 -2.067) 5.031 10.124 ( -1.230 -4.757 -2.801) 5.656 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -1.854 10.557 3.637) 11.319 1.996 ( 1.854 10.557 3.637) 11.319 2.147 ( -0.536 3.099 -1.008) 3.302 2.147 ( 0.536 3.099 -1.008) 3.302 2.384 ( -1.872 5.517 -0.067) 5.826 2.384 ( 1.872 5.517 -0.067) 5.826 2.640 ( -2.765 3.575 -5.036) 6.767 2.640 ( 2.765 3.575 -5.036) 6.767 2.750 ( -5.491 -0.151 6.231) 8.306 2.750 ( 5.491 -0.151 6.231) 8.306 3.004 ( -2.644 -0.503 -3.196) 4.178 3.004 ( 2.644 -0.503 -3.196) 4.178 3.068 ( -0.944 1.460 1.687) 2.422 3.068 ( 0.944 1.460 1.687) 2.422 3.169 ( -0.466 0.139 0.610) 0.780 3.169 ( 0.466 0.139 0.610) 0.780 3.776 ( -10.419 0.458 0.824) 10.462 3.776 ( 10.419 0.458 0.824) 10.462 3.918 ( -11.564 -5.109 -2.333) 12.856 3.918 ( 11.564 -5.109 -2.333) 12.856 4.939 ( -3.686 12.032 1.153) 12.637 4.939 ( 3.686 12.032 1.153) 12.637 5.146 ( -2.076 13.926 -0.720) 14.098 5.146 ( 2.076 13.926 -0.720) 14.098 6.587 ( -0.506 2.423 -0.249) 2.487 6.587 ( 0.506 2.423 -0.249) 2.487 6.736 ( -1.114 -2.744 -2.029) 3.590 6.736 ( 1.114 -2.744 -2.029) 3.590 7.083 ( -3.085 -0.003 0.325) 3.102 7.083 ( 3.085 -0.003 0.325) 3.102 7.319 ( -1.437 -3.294 -0.441) 3.621 7.319 ( 1.437 -3.294 -0.441) 3.621 7.597 ( -0.723 5.492 -1.283) 5.686 7.597 ( 0.723 5.492 -1.283) 5.686 7.750 ( -1.029 1.703 -2.267) 3.016 7.750 ( 1.029 1.703 -2.267) 3.016 8.115 ( -0.633 7.955 1.188) 8.068 8.115 ( 0.633 7.955 1.188) 8.068 8.463 ( -4.327 5.438 0.915) 7.010 8.463 ( 4.327 5.438 0.915) 7.010 8.887 ( -0.266 8.430 -1.113) 8.507 8.887 ( 0.266 8.430 -1.113) 8.507 9.225 ( -1.336 -3.507 -3.440) 5.091 9.225 ( 1.336 -3.507 -3.440) 5.091 9.993 ( -1.609 -2.423 2.373) 3.754 9.993 ( 1.609 -2.423 2.373) 3.754 10.090 ( -2.282 -4.330 -2.609) 5.546 10.090 ( 2.282 -4.330 -2.609) 5.546 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 0.000 5.065 1.086) 5.180 2.194 ( 0.000 2.566 -2.103) 3.318 2.250 ( 0.000 9.964 1.106) 10.025 2.316 ( 0.000 6.585 0.305) 6.593 2.421 ( 0.000 2.671 0.335) 2.692 2.451 ( 0.000 4.838 -1.716) 5.134 2.631 ( 0.000 2.569 2.500) 3.584 2.745 ( 0.000 3.844 -0.896) 3.947 2.763 ( 0.000 1.222 -1.382) 1.845 2.857 ( 0.000 -2.684 -6.153) 6.713 2.972 ( 0.000 -1.486 3.329) 3.645 2.996 ( 0.000 -2.273 2.515) 3.390 3.099 ( 0.000 2.545 0.780) 2.662 3.113 ( 0.000 2.172 2.392) 3.231 3.164 ( 0.000 -0.826 0.843) 1.180 3.249 ( 0.000 -0.972 -2.601) 2.777 3.365 ( 0.000 -5.360 -1.507) 5.568 3.411 ( 0.000 -9.007 -2.773) 9.425 3.996 ( 0.000 -6.209 1.732) 6.446 4.128 ( 0.000 -8.894 -1.125) 8.965 5.057 ( 0.000 14.679 1.143) 14.723 5.105 ( 0.000 13.131 -1.366) 13.202 5.488 ( 0.000 12.489 0.585) 12.503 5.490 ( 0.000 12.437 0.534) 12.448 6.609 ( 0.000 0.928 0.020) 0.929 6.636 ( 0.000 -0.237 -1.788) 1.804 6.681 ( 0.000 1.344 -0.167) 1.354 6.735 ( 0.000 -0.452 -2.589) 2.628 7.054 ( 0.000 3.186 1.675) 3.600 7.168 ( 0.000 -0.499 -2.721) 2.767 7.209 ( 0.000 -2.262 1.115) 2.522 7.271 ( 0.000 -3.555 -1.863) 4.013 7.660 ( 0.000 2.714 -0.877) 2.852 7.667 ( 0.000 2.951 -2.409) 3.810 7.804 ( 0.000 2.352 -3.459) 4.183 7.831 ( 0.000 0.563 -4.328) 4.364 8.199 ( 0.000 4.884 1.818) 5.211 8.203 ( 0.000 4.767 1.417) 4.974 8.447 ( 0.000 0.954 3.782) 3.901 8.557 ( 0.000 -2.872 -1.610) 3.293 8.972 ( 0.000 2.679 -0.403) 2.710 8.990 ( 0.000 2.295 -1.744) 2.882 9.218 ( 0.000 1.480 -0.899) 1.731 9.270 ( 0.000 -0.201 -3.679) 3.684 9.913 ( 0.000 -1.158 1.352) 1.780 9.957 ( 0.000 -2.638 -0.914) 2.792 9.997 ( 0.000 -0.971 1.427) 1.726 10.054 ( 0.000 -3.317 -1.314) 3.568 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 2.084 5.686 0.915) 6.124 2.198 ( 0.384 3.212 -1.947) 3.776 2.234 ( -1.414 8.844 0.108) 8.957 2.272 ( -3.982 6.216 -0.029) 7.382 2.433 ( 1.681 3.363 1.286) 3.973 2.474 ( 1.041 3.917 -0.889) 4.149 2.656 ( 2.491 2.709 1.821) 4.106 2.738 ( -0.159 3.048 -0.190) 3.058 2.749 ( -1.416 2.641 -2.045) 3.627 2.867 ( -6.622 -0.857 3.628) 7.599 2.891 ( 2.966 -3.353 -5.075) 6.767 3.006 ( -1.118 -2.549 0.077) 2.784 3.099 ( -0.189 1.899 2.403) 3.069 3.123 ( -1.408 1.274 0.197) 1.909 3.156 ( 0.480 -0.846 0.462) 1.077 3.192 ( -1.879 0.390 -1.770) 2.611 3.498 ( 9.896 -6.213 -1.222) 11.748 3.529 ( 11.413 -7.537 -1.278) 13.737 3.907 ( -8.646 -5.930 1.097) 10.541 4.017 ( -10.637 -8.346 -1.056) 13.561 5.120 ( 5.882 14.782 1.406) 15.971 5.173 ( 5.643 13.039 -1.274) 14.264 5.442 ( -3.722 12.346 1.118) 12.943 5.468 ( -2.879 11.737 -0.074) 12.085 6.617 ( 0.745 1.314 -0.022) 1.511 6.641 ( 0.268 1.143 -1.620) 2.001 6.679 ( 0.019 -0.085 -0.273) 0.287 6.722 ( -1.270 -0.759 -2.318) 2.750 7.067 ( 1.306 2.685 0.906) 3.120 7.141 ( -2.172 0.281 -1.589) 2.706 7.228 ( 1.361 -2.786 0.028) 3.101 7.267 ( -0.500 -3.585 -1.485) 3.913 7.667 ( 0.982 3.149 -1.461) 3.608 7.681 ( 1.082 3.193 -2.167) 4.008 7.788 ( -1.406 1.664 -3.302) 3.956 7.805 ( -2.296 0.670 -3.737) 4.437 8.221 ( 1.963 5.236 1.813) 5.879 8.232 ( 2.199 5.189 1.106) 5.743 8.453 ( 0.864 -0.043 3.174) 3.290 8.538 ( -1.997 -2.705 -0.957) 3.496 8.986 ( 1.398 3.298 -0.389) 3.603 9.004 ( 1.238 3.318 -1.450) 3.826 9.191 ( -2.178 0.158 -1.407) 2.598 9.233 ( -3.340 -0.800 -3.496) 4.901 9.930 ( 1.549 -0.976 1.409) 2.310 9.979 ( 2.024 -2.687 -1.095) 3.537 9.988 ( -0.952 -0.893 1.457) 1.956 10.045 ( -0.903 -3.191 -1.350) 3.581 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -3.742 7.513 0.299) 8.399 2.189 ( 3.742 7.513 0.299) 8.399 2.212 ( -1.237 4.417 -1.139) 4.726 2.212 ( 1.237 4.417 -1.139) 4.726 2.469 ( -1.502 3.479 0.857) 3.885 2.469 ( 1.502 3.479 0.857) 3.885 2.711 ( -2.691 3.356 -1.491) 4.553 2.711 ( 2.691 3.356 -1.491) 4.553 2.764 ( -3.517 1.122 3.026) 4.773 2.764 ( 3.517 1.122 3.026) 4.773 2.957 ( -3.596 -4.063 -3.606) 6.515 2.957 ( 3.596 -4.063 -3.606) 6.515 3.099 ( -0.416 1.789 1.879) 2.628 3.099 ( 0.416 1.789 1.879) 2.628 3.172 ( -0.798 0.330 -0.720) 1.124 3.172 ( 0.798 0.330 -0.720) 1.124 3.708 ( -11.510 -6.067 0.340) 13.016 3.708 ( 11.510 -6.067 0.340) 13.016 3.776 ( -13.775 -7.602 -1.261) 15.784 3.776 ( 13.775 -7.602 -1.261) 15.784 5.224 ( -2.782 14.806 0.551) 15.076 5.224 ( 2.782 14.806 0.551) 15.076 5.406 ( -1.929 10.858 0.152) 11.029 5.406 ( 1.929 10.858 0.152) 11.029 6.634 ( -0.897 2.202 -0.467) 2.423 6.634 ( 0.897 2.202 -0.467) 2.423 6.694 ( -1.437 -1.386 -1.511) 2.504 6.694 ( 1.437 -1.386 -1.511) 2.504 7.099 ( -2.070 1.557 -0.497) 2.637 7.099 ( 2.070 1.557 -0.497) 2.637 7.252 ( -1.073 -3.389 -0.740) 3.631 7.252 ( 1.073 -3.389 -0.740) 3.631 7.689 ( -0.728 3.819 -2.041) 4.391 7.689 ( 0.728 3.819 -2.041) 4.391 7.772 ( -0.439 0.551 -3.145) 3.223 7.772 ( 0.439 0.551 -3.145) 3.223 8.251 ( -0.577 5.729 1.485) 5.947 8.251 ( 0.577 5.729 1.485) 5.947 8.489 ( -2.743 -1.904 1.008) 3.488 8.489 ( 2.743 -1.904 1.008) 3.488 9.013 ( -0.824 4.704 -0.536) 4.806 9.013 ( 0.824 4.704 -0.536) 4.806 9.177 ( -1.559 -1.845 -2.855) 3.740 9.177 ( 1.559 -1.845 -2.855) 3.740 9.962 ( -1.686 -0.814 1.478) 2.385 9.962 ( 1.686 -0.814 1.478) 2.385 10.019 ( -1.914 -2.907 -1.325) 3.724 10.019 ( 1.914 -2.907 -1.325) 3.724 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.000 2.117 -1.982) 2.901 2.209 ( 0.000 -0.804 -3.303) 3.399 2.401 ( 0.000 4.698 2.011) 5.110 2.428 ( 0.000 2.973 0.516) 3.018 2.537 ( 0.000 8.173 -0.008) 8.173 2.546 ( 0.000 5.872 0.404) 5.886 2.681 ( 0.000 0.268 1.154) 1.184 2.715 ( 0.000 -6.048 -0.871) 6.110 2.753 ( 0.000 -0.962 -0.982) 1.375 2.807 ( 0.000 -3.534 -2.390) 4.266 2.940 ( 0.000 -1.448 0.916) 1.713 2.942 ( 0.000 -1.130 1.084) 1.566 3.139 ( 0.000 1.347 0.947) 1.646 3.146 ( 0.000 0.798 1.701) 1.879 3.173 ( 0.000 2.042 -0.784) 2.188 3.220 ( 0.000 -2.123 -2.529) 3.302 3.299 ( 0.000 -1.203 -1.055) 1.600 3.307 ( 0.000 -1.956 -1.312) 2.355 3.898 ( 0.000 -1.883 0.719) 2.016 3.955 ( 0.000 -7.059 -0.561) 7.081 5.283 ( 0.000 6.822 0.734) 6.861 5.300 ( 0.000 5.184 -0.123) 5.186 5.659 ( 0.000 4.446 0.409) 4.465 5.660 ( 0.000 4.372 0.426) 4.393 6.617 ( 0.000 0.093 -0.275) 0.290 6.621 ( 0.000 -0.478 -0.727) 0.870 6.725 ( 0.000 1.843 -1.139) 2.166 6.738 ( 0.000 0.283 -1.839) 1.860 7.124 ( 0.000 3.623 -0.145) 3.626 7.162 ( 0.000 -0.231 -1.804) 1.818 7.175 ( 0.000 -1.026 -0.127) 1.034 7.201 ( 0.000 -3.473 -1.123) 3.650 7.694 ( 0.000 0.887 -1.641) 1.865 7.699 ( 0.000 0.466 -2.474) 2.518 7.840 ( 0.000 1.067 -4.366) 4.494 7.844 ( 0.000 0.518 -4.322) 4.353 8.261 ( 0.000 1.442 1.235) 1.898 8.262 ( 0.000 1.313 1.062) 1.689 8.454 ( 0.000 0.612 2.001) 2.092 8.490 ( 0.000 -3.036 0.213) 3.044 9.006 ( 0.000 0.915 -0.572) 1.080 9.012 ( 0.000 0.301 -1.203) 1.240 9.245 ( 0.000 1.070 -0.954) 1.433 9.262 ( 0.000 -0.654 -1.953) 2.059 9.904 ( 0.000 0.159 0.557) 0.579 9.918 ( 0.000 -1.283 -0.172) 1.295 9.989 ( 0.000 0.141 0.501) 0.521 10.005 ( 0.000 -1.600 -0.287) 1.625 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 2.514 2.283 -1.262) 3.622 2.232 ( 2.404 -0.231 -2.687) 3.612 2.352 ( -4.209 4.027 1.235) 5.955 2.382 ( -4.161 2.176 -0.006) 4.695 2.550 ( 1.227 7.853 0.462) 7.961 2.569 ( 1.262 6.923 0.703) 7.072 2.704 ( 1.855 -1.313 0.864) 2.431 2.720 ( 0.334 -5.911 -0.348) 5.931 2.751 ( 0.298 0.632 -0.850) 1.100 2.820 ( 1.453 -3.781 -2.937) 5.003 2.870 ( -4.496 1.779 0.739) 4.891 2.926 ( -2.847 -3.974 -0.820) 4.957 3.139 ( 0.087 1.912 1.184) 2.251 3.156 ( -0.426 1.615 0.292) 1.695 3.162 ( 0.425 0.863 -0.058) 0.964 3.193 ( -1.130 -0.616 -1.504) 1.979 3.405 ( 9.303 -1.775 -0.403) 9.479 3.426 ( 10.330 -3.470 -0.847) 10.930 3.811 ( -8.522 -1.979 0.562) 8.766 3.860 ( -9.265 -6.332 -0.449) 11.231 5.348 ( 6.165 7.010 0.792) 9.368 5.367 ( 6.258 5.165 -0.149) 8.116 5.613 ( -4.441 4.639 0.665) 6.457 5.623 ( -3.973 3.675 0.203) 5.416 6.632 ( 1.489 0.366 -0.340) 1.571 6.638 ( 1.637 -0.377 -0.826) 1.872 6.708 ( -1.638 1.534 -0.908) 2.420 6.720 ( -1.804 0.141 -1.599) 2.415 7.128 ( 0.385 3.219 -0.479) 3.277 7.153 ( -0.724 1.030 -1.371) 1.861 7.180 ( 0.444 -2.083 -0.664) 2.230 7.198 ( -0.297 -3.282 -1.150) 3.490 7.708 ( 1.598 1.208 -2.081) 2.888 7.717 ( 1.743 0.460 -2.619) 3.180 7.812 ( -2.595 0.828 -3.874) 4.735 7.818 ( -2.471 0.351 -4.015) 4.727 8.294 ( 3.104 2.188 1.350) 4.031 8.302 ( 3.564 1.685 0.891) 4.042 8.439 ( -1.528 -0.275 1.912) 2.462 8.470 ( -2.089 -3.222 0.358) 3.856 9.030 ( 2.540 1.301 -0.634) 2.924 9.039 ( 2.743 0.513 -1.243) 3.055 9.201 ( -4.127 0.669 -0.980) 4.295 9.217 ( -4.244 -0.890 -1.876) 4.724 9.923 ( 1.746 0.257 0.547) 1.847 9.939 ( 1.880 -1.366 -0.248) 2.337 9.981 ( -0.812 0.214 0.513) 0.984 9.998 ( -0.757 -1.586 -0.314) 1.785 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -4.066 2.932 0.095) 5.014 2.269 ( 4.066 2.932 0.095) 5.014 2.297 ( -4.190 0.969 -1.282) 4.488 2.297 ( 4.190 0.969 -1.282) 4.488 2.573 ( -0.808 7.702 0.833) 7.789 2.573 ( 0.808 7.702 0.833) 7.789 2.722 ( -0.150 -5.195 -0.044) 5.197 2.722 ( 0.150 -5.195 -0.044) 5.197 2.790 ( -3.589 3.370 -0.116) 4.925 2.790 ( 3.589 3.370 -0.116) 4.925 2.865 ( -3.055 -4.308 -2.364) 5.786 2.865 ( 3.055 -4.308 -2.364) 5.786 3.144 ( -0.507 2.518 0.694) 2.661 3.144 ( 0.507 2.518 0.694) 2.661 3.176 ( -0.744 -0.399 -0.657) 1.070 3.176 ( 0.744 -0.399 -0.657) 1.070 3.611 ( -11.270 -2.031 0.623) 11.469 3.611 ( 11.270 -2.031 0.623) 11.469 3.647 ( -11.926 -4.981 -0.749) 12.946 3.647 ( 11.926 -4.981 -0.749) 12.946 5.464 ( -2.052 8.483 0.388) 8.736 5.464 ( 2.052 8.483 0.388) 8.736 5.535 ( -1.796 1.628 0.402) 2.457 5.535 ( 1.796 1.628 0.402) 2.457 6.668 ( -1.686 1.109 -0.658) 2.123 6.668 ( 1.686 1.109 -0.658) 2.123 6.679 ( -1.842 -0.318 -1.030) 2.134 6.679 ( 1.842 -0.318 -1.030) 2.134 7.139 ( -0.738 2.310 -1.019) 2.631 7.139 ( 0.738 2.310 -1.019) 2.631 7.190 ( -0.558 -2.867 -1.038) 3.100 7.190 ( 0.558 -2.867 -1.038) 3.100 7.746 ( -1.088 2.002 -2.895) 3.684 7.746 ( 1.088 2.002 -2.895) 3.684 7.771 ( -0.948 -0.618 -3.329) 3.516 7.771 ( 0.948 -0.618 -3.329) 3.516 8.346 ( -0.868 4.120 1.263) 4.396 8.346 ( 0.868 4.120 1.263) 4.396 8.424 ( -1.573 -3.919 1.028) 4.346 8.424 ( 1.573 -3.919 1.028) 4.346 9.087 ( -1.191 3.009 -0.730) 3.317 9.087 ( 1.191 3.009 -0.730) 3.317 9.138 ( -1.405 -2.226 -1.669) 3.116 9.138 ( 1.405 -2.226 -1.669) 3.116 9.958 ( -1.660 0.311 0.532) 1.771 9.958 ( 1.660 0.311 0.532) 1.771 9.975 ( -1.692 -1.507 -0.328) 2.289 9.975 ( 1.692 -1.507 -0.328) 2.289 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.000 0.000 -4.472) 4.472 1.307 ( 0.000 0.000 4.472) 4.472 1.591 ( 0.000 0.000 -12.525) 12.525 1.591 ( 0.000 0.000 12.525) 12.525 2.107 ( 0.000 0.000 -13.408) 13.408 2.107 ( 0.000 0.000 13.408) 13.408 2.186 ( 0.000 0.000 -0.341) 0.341 2.186 ( 0.000 0.000 0.341) 0.341 2.613 ( 0.000 0.000 -1.465) 1.465 2.613 ( 0.000 0.000 1.465) 1.465 2.654 ( 0.000 0.000 -22.247) 22.247 2.654 ( 0.000 0.000 22.247) 22.247 3.014 ( 0.000 0.000 -0.575) 0.575 3.014 ( 0.000 0.000 0.575) 0.575 3.070 ( 0.000 0.000 -0.157) 0.157 3.070 ( 0.000 0.000 0.157) 0.157 3.318 ( 0.000 0.000 -0.764) 0.764 3.318 ( 0.000 0.000 0.764) 0.764 3.779 ( 0.000 0.000 -24.582) 24.582 3.779 ( 0.000 0.000 24.582) 24.582 4.573 ( 0.000 0.000 -4.202) 4.202 4.573 ( 0.000 0.000 4.202) 4.202 5.149 ( 0.000 0.000 -1.095) 1.095 5.149 ( 0.000 0.000 1.095) 1.095 6.517 ( 0.000 0.000 -3.320) 3.320 6.517 ( 0.000 0.000 3.320) 3.320 6.975 ( 0.000 0.000 -4.046) 4.046 6.975 ( 0.000 0.000 4.046) 4.046 7.011 ( 0.000 0.000 -2.982) 2.982 7.011 ( 0.000 0.000 2.982) 2.982 7.048 ( 0.000 0.000 -2.632) 2.632 7.048 ( 0.000 0.000 2.632) 2.632 7.228 ( 0.000 0.000 -1.627) 1.627 7.228 ( 0.000 0.000 1.627) 1.627 7.333 ( 0.000 0.000 -0.471) 0.471 7.333 ( 0.000 0.000 0.471) 0.471 7.650 ( 0.000 0.000 -2.167) 2.167 7.650 ( 0.000 0.000 2.167) 2.167 7.842 ( 0.000 0.000 -0.236) 0.236 7.842 ( 0.000 0.000 0.236) 0.236 8.078 ( 0.000 0.000 -6.532) 6.532 8.078 ( 0.000 0.000 6.532) 6.532 9.695 ( 0.000 0.000 -0.914) 0.914 9.695 ( 0.000 0.000 0.914) 0.914 10.286 ( 0.000 0.000 -0.431) 0.431 10.286 ( 0.000 0.000 0.431) 0.431 10.397 ( 0.000 0.000 -1.977) 1.977 10.397 ( 0.000 0.000 1.977) 1.977 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.017 0.000 -3.162) 3.162 1.308 ( 0.017 0.000 3.162) 3.162 1.602 ( 1.115 0.000 -9.913) 9.975 1.602 ( 1.115 0.000 9.913) 9.975 2.069 ( -3.359 0.000 -10.063) 10.609 2.069 ( -3.359 0.000 10.063) 10.609 2.186 ( -0.004 0.000 -0.242) 0.242 2.186 ( -0.004 0.000 0.242) 0.242 2.613 ( 0.019 0.000 -1.036) 1.036 2.613 ( 0.019 0.000 1.036) 1.036 2.641 ( -1.033 0.000 -15.144) 15.180 2.641 ( -1.033 0.000 15.144) 15.180 3.047 ( 2.732 0.000 -2.310) 3.577 3.047 ( 2.732 0.000 2.310) 3.577 3.069 ( -0.016 0.000 -0.111) 0.113 3.069 ( -0.016 0.000 0.111) 0.113 3.320 ( 0.244 0.000 -0.625) 0.670 3.320 ( 0.244 0.000 0.625) 0.670 3.738 ( -3.294 0.000 -16.987) 17.304 3.738 ( -3.294 0.000 16.987) 17.304 4.661 ( 7.802 0.000 -2.175) 8.099 4.661 ( 7.802 0.000 2.175) 8.099 5.102 ( -4.540 0.000 -1.044) 4.658 5.102 ( -4.540 0.000 1.044) 4.658 6.517 ( -0.027 0.000 -2.397) 2.397 6.517 ( -0.027 0.000 2.397) 2.397 6.978 ( 0.308 0.000 -3.149) 3.165 6.978 ( 0.308 0.000 3.149) 3.165 6.990 ( -1.594 0.000 -2.262) 2.767 6.990 ( -1.594 0.000 2.262) 2.767 7.044 ( -0.362 0.000 -2.160) 2.190 7.044 ( -0.362 0.000 2.160) 2.190 7.228 ( 0.042 0.000 -1.140) 1.141 7.228 ( 0.042 0.000 1.140) 1.141 7.375 ( 3.565 0.000 -1.334) 3.806 7.375 ( 3.565 0.000 1.334) 3.806 7.626 ( -2.277 0.000 -1.243) 2.595 7.626 ( -2.277 0.000 1.243) 2.595 7.842 ( 0.011 0.000 -0.167) 0.167 7.842 ( 0.011 0.000 0.167) 0.167 8.083 ( 0.424 0.000 -4.496) 4.516 8.083 ( 0.424 0.000 4.496) 4.516 9.705 ( 0.867 0.000 -0.758) 1.152 9.705 ( 0.867 0.000 0.758) 1.152 10.290 ( 0.318 0.000 -2.540) 2.560 10.290 ( 0.318 0.000 2.540) 2.560 10.382 ( -1.299 0.000 -2.625) 2.928 10.382 ( -1.299 0.000 2.625) 2.928 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.000 0.000 0.000) 0.000 1.308 ( 0.000 0.000 0.000) 0.000 1.618 ( 0.000 0.000 0.000) 0.000 1.618 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 -0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 -0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 4.768 ( -0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 5.032 ( -0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 -0.000) 0.000 6.982 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 -0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 7.842 ( 0.000 0.000 0.000) 0.000 7.842 ( 0.000 0.000 0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 10.294 ( -0.000 0.000 0.000) 0.000 10.294 ( 0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 -0.000) 0.000 10.365 ( 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.000 19.024 -3.969) 19.433 1.599 ( 0.000 19.024 3.969) 19.433 1.641 ( 0.000 9.723 -10.212) 14.100 1.641 ( 0.000 9.723 10.212) 14.100 2.077 ( 0.000 -0.664 -11.751) 11.770 2.077 ( 0.000 -0.664 11.751) 11.770 2.218 ( 0.000 2.656 -0.850) 2.788 2.218 ( 0.000 2.656 0.850) 2.788 2.622 ( 0.000 0.888 -13.705) 13.733 2.622 ( 0.000 0.888 13.705) 13.733 2.779 ( 0.000 9.832 -3.219) 10.346 2.779 ( 0.000 9.832 3.219) 10.346 3.007 ( 0.000 0.068 -0.376) 0.382 3.007 ( 0.000 0.068 0.376) 0.382 3.105 ( 0.000 3.030 -0.431) 3.061 3.105 ( 0.000 3.030 0.431) 3.061 3.341 ( 0.000 3.113 -1.525) 3.467 3.341 ( 0.000 3.113 1.525) 3.467 3.771 ( 0.000 -0.603 -23.089) 23.097 3.771 ( 0.000 -0.603 23.089) 23.097 4.589 ( 0.000 1.898 -4.014) 4.440 4.589 ( 0.000 1.898 4.014) 4.440 5.106 ( 0.000 -4.195 -0.564) 4.233 5.106 ( 0.000 -4.195 0.564) 4.233 6.516 ( 0.000 -0.001 -3.170) 3.170 6.516 ( 0.000 -0.001 3.170) 3.170 6.909 ( 0.000 -3.990 -0.868) 4.083 6.909 ( 0.000 -3.990 0.868) 4.083 7.098 ( 0.000 6.391 -1.148) 6.493 7.098 ( 0.000 6.391 1.148) 6.493 7.150 ( 0.000 6.592 -0.253) 6.597 7.150 ( 0.000 6.592 0.253) 6.597 7.285 ( 0.000 5.792 -0.970) 5.873 7.285 ( 0.000 5.792 0.970) 5.873 7.403 ( 0.000 6.757 -0.528) 6.777 7.403 ( 0.000 6.757 0.528) 6.777 7.690 ( 0.000 5.440 -4.130) 6.831 7.690 ( 0.000 5.440 4.130) 6.831 7.820 ( 0.000 -1.418 -1.176) 1.842 7.820 ( 0.000 -1.418 1.176) 1.842 8.166 ( 0.000 8.379 -4.940) 9.727 8.166 ( 0.000 8.379 4.940) 9.727 9.634 ( 0.000 -6.022 -0.423) 6.036 9.634 ( 0.000 -6.022 0.423) 6.036 10.255 ( 0.000 -3.136 -0.537) 3.182 10.255 ( 0.000 -3.136 0.537) 3.182 10.354 ( 0.000 -3.936 -2.915) 4.898 10.354 ( 0.000 -3.936 2.915) 4.898 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -1.215 15.604 -2.203) 15.806 1.576 ( -1.215 15.604 2.203) 15.806 1.681 ( 2.919 13.796 -6.115) 15.370 1.681 ( 2.919 13.796 6.115) 15.370 2.022 ( -4.642 -1.693 -8.596) 9.915 2.022 ( -4.642 -1.693 8.596) 9.915 2.231 ( 0.787 3.039 -0.432) 3.169 2.231 ( 0.787 3.039 0.432) 3.169 2.626 ( 0.357 0.717 -10.386) 10.417 2.626 ( 0.357 0.717 10.386) 10.417 2.764 ( -1.236 10.408 -2.068) 10.683 2.764 ( -1.236 10.408 2.068) 10.683 3.037 ( 2.547 -0.277 -2.605) 3.654 3.037 ( 2.547 -0.277 2.605) 3.654 3.101 ( -0.420 2.553 -0.675) 2.674 3.101 ( -0.420 2.553 0.675) 2.674 3.346 ( 0.435 3.332 -1.267) 3.591 3.346 ( 0.435 3.332 1.267) 3.591 3.737 ( -2.709 0.202 -16.041) 16.269 3.737 ( -2.709 0.202 16.041) 16.269 4.668 ( 7.012 0.856 -2.130) 7.378 4.668 ( 7.012 0.856 2.130) 7.378 5.062 ( -4.302 -3.906 -0.805) 5.866 5.062 ( -4.302 -3.906 0.805) 5.866 6.515 ( -0.042 -0.016 -2.270) 2.271 6.515 ( -0.042 -0.016 2.270) 2.271 6.901 ( -0.666 -3.873 -0.726) 3.996 6.901 ( -0.666 -3.873 0.726) 3.996 7.098 ( 0.055 6.519 -0.889) 6.580 7.098 ( 0.055 6.519 0.889) 6.580 7.157 ( 0.640 8.252 -0.433) 8.288 7.157 ( 0.640 8.252 0.433) 8.288 7.255 ( -2.013 3.738 -0.523) 4.278 7.255 ( -2.013 3.738 0.523) 4.278 7.462 ( 4.984 7.152 -0.194) 8.719 7.462 ( 4.984 7.152 0.194) 8.719 7.653 ( -3.601 4.870 -2.649) 6.610 7.653 ( -3.601 4.870 2.649) 6.610 7.827 ( 0.457 -0.953 -0.508) 1.172 7.827 ( 0.457 -0.953 0.508) 1.172 8.169 ( 0.243 8.218 -3.451) 8.916 8.169 ( 0.243 8.218 3.451) 8.916 9.642 ( 0.753 -6.147 -0.412) 6.207 9.642 ( 0.753 -6.147 0.412) 6.207 10.258 ( 0.298 -3.112 -2.101) 3.767 10.258 ( 0.298 -3.112 2.101) 3.767 10.341 ( -1.118 -3.782 -2.902) 4.896 10.341 ( -1.118 -3.782 2.902) 4.896 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 0.000 14.944 0.000) 14.944 1.565 ( 0.000 14.944 0.000) 14.944 1.719 ( 0.000 16.034 0.000) 16.034 1.719 ( -0.000 16.034 0.000) 16.034 1.962 ( 0.000 -3.526 0.000) 3.526 1.962 ( 0.000 -3.526 0.000) 3.526 2.239 ( -0.000 3.327 -0.000) 3.327 2.239 ( 0.000 3.327 -0.000) 3.327 2.631 ( -0.000 0.424 0.000) 0.424 2.631 ( 0.000 0.424 0.000) 0.424 2.749 ( 0.000 11.042 0.000) 11.042 2.749 ( 0.000 11.042 0.000) 11.042 3.072 ( 0.000 -0.503 0.000) 0.503 3.072 ( 0.000 -0.503 0.000) 0.503 3.091 ( -0.000 1.950 0.000) 1.950 3.091 ( 0.000 1.950 0.000) 1.950 3.352 ( 0.000 3.561 0.000) 3.561 3.352 ( -0.000 3.561 0.000) 3.561 3.706 ( 0.000 0.898 -0.000) 0.898 3.706 ( 0.000 0.898 0.000) 0.898 4.766 ( 0.000 -0.083 0.000) 0.083 4.766 ( 0.000 -0.083 0.000) 0.083 4.995 ( 0.000 -3.583 0.000) 3.583 4.995 ( 0.000 -3.583 0.000) 3.583 6.515 ( 0.000 -0.034 0.000) 0.034 6.515 ( 0.000 -0.034 0.000) 0.034 6.893 ( 0.000 -3.742 0.000) 3.742 6.893 ( 0.000 -3.742 0.000) 3.742 7.099 ( -0.000 6.511 0.000) 6.511 7.099 ( 0.000 6.511 0.000) 6.511 7.166 ( -0.000 11.286 -0.000) 11.286 7.166 ( 0.000 11.286 -0.000) 11.286 7.233 ( -0.000 0.632 -0.000) 0.632 7.233 ( 0.000 0.632 -0.000) 0.632 7.552 ( -0.000 12.982 -0.000) 12.982 7.552 ( 0.000 12.982 0.000) 12.982 7.578 ( -0.000 -1.151 0.000) 1.151 7.578 ( 0.000 -1.151 0.000) 1.151 7.832 ( 0.000 -0.672 -0.000) 0.672 7.832 ( 0.000 -0.672 -0.000) 0.672 8.172 ( -0.000 8.060 0.000) 8.060 8.172 ( 0.000 8.060 0.000) 8.060 9.652 ( 0.000 -6.284 0.000) 6.284 9.652 ( 0.000 -6.284 0.000) 6.284 10.262 ( -0.000 -3.079 0.000) 3.079 10.262 ( 0.000 -3.079 0.000) 3.079 10.327 ( 0.000 -3.626 -0.000) 3.626 10.327 ( 0.000 -3.626 0.000) 3.626 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.000 7.632 -5.806) 9.590 1.746 ( 0.000 7.632 5.806) 9.590 1.948 ( 0.000 5.292 -8.894) 10.349 1.948 ( 0.000 5.292 8.894) 10.349 2.217 ( 0.000 10.807 -9.035) 14.086 2.217 ( 0.000 10.807 9.035) 14.086 2.306 ( 0.000 9.901 -7.815) 12.613 2.306 ( 0.000 9.901 7.815) 12.613 2.662 ( 0.000 3.561 -10.858) 11.427 2.662 ( 0.000 3.561 10.858) 11.427 2.900 ( 0.000 2.113 -3.401) 4.004 2.900 ( 0.000 2.113 3.401) 4.004 3.050 ( 0.000 3.320 -1.452) 3.623 3.050 ( 0.000 3.320 1.452) 3.623 3.161 ( 0.000 1.868 -0.748) 2.012 3.161 ( 0.000 1.868 0.748) 2.012 3.492 ( 0.000 12.171 -3.215) 12.588 3.492 ( 0.000 12.171 3.215) 12.588 3.770 ( 0.000 1.230 -17.255) 17.299 3.770 ( 0.000 1.230 17.255) 17.299 4.665 ( 0.000 6.283 -3.243) 7.070 4.665 ( 0.000 6.283 3.243) 7.070 4.993 ( 0.000 -6.824 -0.648) 6.855 4.993 ( 0.000 -6.824 0.648) 6.855 6.522 ( 0.000 0.738 -2.330) 2.444 6.522 ( 0.000 0.738 2.330) 2.444 6.835 ( 0.000 -3.506 -1.056) 3.662 6.835 ( 0.000 -3.506 1.056) 3.662 7.175 ( 0.000 -1.603 -4.209) 4.504 7.175 ( 0.000 -1.603 4.209) 4.504 7.230 ( 0.000 5.927 -0.611) 5.958 7.230 ( 0.000 5.927 0.611) 5.958 7.447 ( 0.000 3.730 -0.866) 3.829 7.447 ( 0.000 3.730 0.866) 3.829 7.572 ( 0.000 13.584 -0.038) 13.584 7.572 ( 0.000 13.584 0.038) 13.584 7.774 ( 0.000 -0.469 -3.191) 3.225 7.774 ( 0.000 -0.469 3.191) 3.225 7.947 ( 0.000 16.529 -5.485) 17.416 7.947 ( 0.000 16.529 5.485) 17.416 8.389 ( 0.000 13.557 -3.200) 13.929 8.389 ( 0.000 13.557 3.200) 13.929 9.476 ( 0.000 -9.250 -0.400) 9.259 9.476 ( 0.000 -9.250 0.400) 9.259 10.170 ( 0.000 -5.044 -1.217) 5.188 10.170 ( 0.000 -5.044 1.217) 5.188 10.261 ( 0.000 -5.086 -3.860) 6.385 10.261 ( 0.000 -5.086 3.860) 6.385 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -0.214 7.795 -5.133) 9.336 1.742 ( -0.214 7.795 5.133) 9.336 1.945 ( -0.400 3.264 -7.870) 8.530 1.945 ( -0.400 3.264 7.870) 8.530 2.203 ( -1.154 16.810 -8.390) 18.823 2.203 ( -1.154 16.810 8.390) 18.823 2.299 ( -0.437 5.584 -5.397) 7.779 2.299 ( -0.437 5.584 5.397) 7.779 2.666 ( 0.311 4.057 -7.481) 8.516 2.666 ( 0.311 4.057 7.481) 8.516 2.906 ( 0.484 2.762 -2.406) 3.694 2.906 ( 0.484 2.762 2.406) 3.694 3.060 ( 0.994 2.230 -1.912) 3.101 3.060 ( 0.994 2.230 1.912) 3.101 3.149 ( -1.101 1.809 -1.811) 2.787 3.149 ( -1.101 1.809 1.811) 2.787 3.498 ( 0.516 11.996 -2.402) 12.245 3.498 ( 0.516 11.996 2.402) 12.245 3.761 ( -0.730 2.768 -12.070) 12.405 3.761 ( -0.730 2.768 12.070) 12.405 4.712 ( 4.432 4.253 -1.980) 6.454 4.712 ( 4.432 4.253 1.980) 6.454 4.959 ( -3.337 -6.011 -0.616) 6.902 4.959 ( -3.337 -6.011 0.616) 6.902 6.522 ( -0.069 0.726 -1.663) 1.816 6.522 ( -0.069 0.726 1.663) 1.816 6.830 ( -0.383 -3.311 -0.796) 3.426 6.830 ( -0.383 -3.311 0.796) 3.426 7.159 ( -0.947 -1.112 -2.024) 2.496 7.159 ( -0.947 -1.112 2.024) 2.496 7.268 ( 3.113 5.898 -1.380) 6.811 7.268 ( 3.113 5.898 1.380) 6.811 7.416 ( -2.808 5.589 -1.409) 6.411 7.416 ( -2.808 5.589 1.409) 6.411 7.583 ( 0.823 8.230 -0.902) 8.320 7.583 ( 0.823 8.230 0.902) 8.320 7.799 ( 2.349 2.279 -3.253) 4.615 7.799 ( 2.349 2.279 3.253) 4.615 7.927 ( -1.991 16.869 -4.849) 17.664 7.927 ( -1.991 16.869 4.849) 17.664 8.388 ( -0.088 13.294 -2.273) 13.487 8.388 ( -0.088 13.294 2.273) 13.487 9.481 ( 0.477 -9.441 -0.333) 9.459 9.481 ( 0.477 -9.441 0.333) 9.459 10.176 ( 0.575 -4.783 -1.706) 5.111 10.176 ( 0.575 -4.783 1.706) 5.111 10.250 ( -1.014 -5.093 -3.349) 6.179 10.250 ( -1.014 -5.093 3.349) 6.179 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 7.919 0.000) 7.919 1.741 ( 0.000 7.919 0.000) 7.919 1.938 ( 0.000 1.248 -0.000) 1.248 1.938 ( 0.000 1.248 0.000) 1.248 2.189 ( 0.000 21.866 0.000) 21.866 2.189 ( -0.000 21.866 0.000) 21.866 2.295 ( -0.000 2.329 -0.000) 2.329 2.295 ( 0.000 2.329 -0.000) 2.329 2.669 ( -0.000 4.423 0.000) 4.423 2.669 ( 0.000 4.423 0.000) 4.423 2.912 ( 0.000 3.519 0.000) 3.519 2.912 ( 0.000 3.519 0.000) 3.519 3.075 ( 0.000 0.793 0.000) 0.793 3.075 ( 0.000 0.793 0.000) 0.793 3.133 ( -0.000 2.044 0.000) 2.044 3.133 ( 0.000 2.044 0.000) 2.044 3.504 ( 0.000 11.759 0.000) 11.759 3.504 ( 0.000 11.759 0.000) 11.759 3.752 ( 0.000 4.258 -0.000) 4.258 3.752 ( 0.000 4.258 0.000) 4.258 4.780 ( 0.000 2.145 0.000) 2.145 4.780 ( 0.000 2.145 0.000) 2.145 4.904 ( 0.000 -5.023 0.000) 5.023 4.904 ( 0.000 -5.023 0.000) 5.023 6.521 ( 0.000 0.715 0.000) 0.715 6.521 ( 0.000 0.715 0.000) 0.715 6.826 ( 0.000 -3.131 0.000) 3.131 6.826 ( 0.000 -3.131 0.000) 3.131 7.150 ( 0.000 -1.233 0.000) 1.233 7.150 ( 0.000 -1.233 0.000) 1.233 7.316 ( -0.000 7.321 -0.000) 7.321 7.316 ( 0.000 7.321 -0.000) 7.321 7.370 ( -0.000 5.470 0.000) 5.470 7.370 ( 0.000 5.470 0.000) 5.470 7.592 ( -0.000 4.426 -0.000) 4.426 7.592 ( 0.000 4.426 -0.000) 4.426 7.837 ( -0.000 2.051 -0.000) 2.051 7.837 ( 0.000 2.051 -0.000) 2.051 7.893 ( -0.000 19.786 0.000) 19.786 7.893 ( 0.000 19.786 0.000) 19.786 8.387 ( 0.000 13.034 -0.000) 13.034 8.387 ( 0.000 13.034 -0.000) 13.034 9.487 ( 0.000 -9.639 0.000) 9.639 9.487 ( 0.000 -9.639 0.000) 9.639 10.185 ( -0.000 -4.378 -0.000) 4.378 10.185 ( 0.000 -4.378 0.000) 4.378 10.236 ( 0.000 -5.237 -0.000) 5.237 10.236 ( -0.000 -5.237 0.000) 5.237 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.000 9.328 -0.681) 9.353 1.917 ( 0.000 9.328 0.681) 9.353 2.021 ( 0.000 3.778 -9.826) 10.528 2.021 ( 0.000 3.778 9.826) 10.528 2.307 ( 0.000 2.622 -6.272) 6.798 2.307 ( 0.000 2.622 6.272) 6.798 2.520 ( 0.000 7.192 -4.809) 8.651 2.520 ( 0.000 7.192 4.809) 8.651 2.741 ( 0.000 2.267 -2.458) 3.344 2.741 ( 0.000 2.267 2.458) 3.344 2.961 ( 0.000 5.127 -0.034) 5.128 2.961 ( 0.000 5.127 0.034) 5.128 3.088 ( 0.000 0.605 -0.534) 0.807 3.088 ( 0.000 0.605 0.534) 0.807 3.179 ( 0.000 0.450 -3.140) 3.172 3.179 ( 0.000 0.450 3.140) 3.172 3.632 ( 0.000 -1.458 -6.003) 6.178 3.632 ( 0.000 -1.458 6.003) 6.178 3.932 ( 0.000 15.466 -0.089) 15.466 3.932 ( 0.000 15.466 0.089) 15.466 4.796 ( 0.000 0.333 -1.435) 1.473 4.796 ( 0.000 0.333 1.435) 1.473 4.921 ( 0.000 7.403 -0.530) 7.422 4.921 ( 0.000 7.403 0.530) 7.422 6.546 ( 0.000 1.650 -1.205) 2.043 6.546 ( 0.000 1.650 1.205) 2.043 6.770 ( 0.000 -3.117 -1.161) 3.326 6.770 ( 0.000 -3.117 1.161) 3.326 7.133 ( 0.000 -2.084 -5.012) 5.428 7.133 ( 0.000 -2.084 5.012) 5.428 7.304 ( 0.000 0.973 -1.051) 1.432 7.304 ( 0.000 0.973 1.051) 1.432 7.500 ( 0.000 3.575 -0.936) 3.695 7.500 ( 0.000 3.575 0.936) 3.695 7.744 ( 0.000 0.695 -2.493) 2.588 7.744 ( 0.000 0.695 2.493) 2.588 7.873 ( 0.000 12.183 -0.188) 12.185 7.873 ( 0.000 12.183 0.188) 12.185 8.276 ( 0.000 14.628 -5.850) 15.754 8.276 ( 0.000 14.628 5.850) 15.754 8.667 ( 0.000 13.428 -1.422) 13.503 8.667 ( 0.000 13.428 1.422) 13.503 9.302 ( 0.000 -7.435 -1.036) 7.507 9.302 ( 0.000 -7.435 1.036) 7.507 10.071 ( 0.000 -4.718 -1.804) 5.051 10.071 ( 0.000 -4.718 1.804) 5.051 10.162 ( 0.000 -4.706 -3.559) 5.901 10.162 ( 0.000 -4.706 3.559) 5.901 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -0.348 9.054 -2.185) 9.321 1.912 ( -0.348 9.054 2.185) 9.321 2.011 ( -0.839 4.121 -7.410) 8.520 2.011 ( -0.839 4.121 7.410) 8.520 2.320 ( 1.150 2.439 -4.593) 5.326 2.320 ( 1.150 2.439 4.593) 5.326 2.489 ( -2.429 7.102 -3.701) 8.369 2.489 ( -2.429 7.102 3.701) 8.369 2.774 ( 2.641 4.107 -2.890) 5.674 2.774 ( 2.641 4.107 2.890) 5.674 2.945 ( -1.483 2.755 -1.511) 3.475 2.945 ( -1.483 2.755 1.511) 3.475 3.087 ( -0.068 0.444 -0.421) 0.615 3.087 ( -0.068 0.444 0.421) 0.615 3.173 ( -0.501 0.857 -2.206) 2.419 3.173 ( -0.501 0.857 2.206) 2.419 3.673 ( 3.673 1.976 -5.233) 6.692 3.673 ( 3.673 1.976 5.233) 6.692 3.905 ( -2.617 11.861 -2.573) 12.416 3.905 ( -2.617 11.861 2.573) 12.416 4.813 ( 1.563 0.717 -1.714) 2.428 4.813 ( 1.563 0.717 1.714) 2.428 4.908 ( -1.331 7.763 -0.880) 7.926 4.908 ( -1.331 7.763 0.880) 7.926 6.545 ( -0.074 1.657 -0.860) 1.869 6.545 ( -0.074 1.657 0.860) 1.869 6.769 ( -0.100 -2.977 -0.839) 3.094 6.769 ( -0.100 -2.977 0.839) 3.094 7.121 ( -0.901 -1.978 -3.107) 3.792 7.121 ( -0.901 -1.978 3.107) 3.792 7.336 ( 2.840 -0.001 -0.903) 2.980 7.336 ( 2.840 -0.001 0.903) 2.980 7.487 ( -1.434 4.467 -1.082) 4.815 7.487 ( -1.434 4.467 1.082) 4.815 7.712 ( -2.151 2.536 -1.252) 3.553 7.712 ( -2.151 2.536 1.252) 3.553 7.915 ( 3.020 9.907 -0.732) 10.383 7.915 ( 3.020 9.907 0.732) 10.383 8.269 ( -0.645 15.156 -4.450) 15.809 8.269 ( -0.645 15.156 4.450) 15.809 8.660 ( -0.525 13.265 -1.122) 13.322 8.660 ( -0.525 13.265 1.122) 13.322 9.303 ( 0.073 -7.782 -0.736) 7.817 9.303 ( 0.073 -7.782 0.736) 7.817 10.082 ( 1.133 -4.449 -2.091) 5.045 10.082 ( 1.133 -4.449 2.091) 5.045 10.151 ( -1.143 -4.712 -3.284) 5.857 10.151 ( -1.143 -4.712 3.284) 5.857 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 8.754 -0.000) 8.754 1.909 ( 0.000 8.754 0.000) 8.754 2.000 ( 0.000 4.504 0.000) 4.504 2.000 ( 0.000 4.504 0.000) 4.504 2.335 ( 0.000 2.048 -0.000) 2.048 2.335 ( 0.000 2.048 0.000) 2.048 2.460 ( 0.000 7.411 0.000) 7.411 2.460 ( 0.000 7.411 0.000) 7.411 2.806 ( 0.000 7.090 -0.000) 7.090 2.806 ( 0.000 7.090 0.000) 7.090 2.924 ( 0.000 -0.966 0.000) 0.966 2.924 ( 0.000 -0.966 0.000) 0.966 3.086 ( 0.000 0.325 -0.000) 0.325 3.086 ( 0.000 0.325 0.000) 0.325 3.167 ( 0.000 1.332 -0.000) 1.332 3.167 ( 0.000 1.332 0.000) 1.332 3.725 ( 0.000 7.885 0.000) 7.885 3.725 ( 0.000 7.885 0.000) 7.885 3.865 ( 0.000 5.694 0.000) 5.694 3.865 ( 0.000 5.694 0.000) 5.694 4.837 ( 0.000 -0.152 -0.000) 0.152 4.837 ( 0.000 -0.152 0.000) 0.152 4.886 ( -0.000 9.354 0.000) 9.354 4.886 ( 0.000 9.354 0.000) 9.354 6.544 ( 0.000 1.663 0.000) 1.663 6.544 ( 0.000 1.663 0.000) 1.663 6.767 ( 0.000 -2.837 0.000) 2.837 6.767 ( 0.000 -2.837 0.000) 2.837 7.111 ( 0.000 -1.959 0.000) 1.959 7.111 ( 0.000 -1.959 0.000) 1.959 7.375 ( 0.000 -2.486 -0.000) 2.486 7.375 ( -0.000 -2.486 0.000) 2.486 7.462 ( -0.000 7.024 0.000) 7.024 7.462 ( 0.000 7.024 0.000) 7.024 7.689 ( 0.000 3.035 -0.000) 3.035 7.689 ( 0.000 3.035 0.000) 3.035 7.949 ( 0.000 8.802 0.000) 8.802 7.949 ( 0.000 8.802 0.000) 8.802 8.261 ( 0.000 15.803 0.000) 15.803 8.261 ( 0.000 15.803 0.000) 15.803 8.654 ( 0.000 13.087 -0.000) 13.087 8.654 ( 0.000 13.087 0.000) 13.087 9.304 ( 0.000 -8.124 0.000) 8.124 9.304 ( 0.000 -8.124 0.000) 8.124 10.101 ( -0.000 -3.869 -0.000) 3.869 10.101 ( 0.000 -3.869 0.000) 3.869 10.132 ( 0.000 -5.031 -0.000) 5.031 10.132 ( 0.000 -5.031 0.000) 5.031 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 0.000 5.340 -4.627) 7.066 2.092 ( 0.000 5.340 4.627) 7.066 2.110 ( 0.000 7.707 -3.828) 8.606 2.110 ( 0.000 7.707 3.828) 8.606 2.356 ( 0.000 2.789 -2.996) 4.093 2.356 ( 0.000 2.789 2.996) 4.093 2.640 ( 0.000 5.795 -3.082) 6.564 2.640 ( 0.000 5.795 3.082) 6.564 2.743 ( 0.000 -1.085 -7.415) 7.494 2.743 ( 0.000 -1.085 7.415) 7.494 3.042 ( 0.000 1.398 -0.425) 1.462 3.042 ( 0.000 1.398 0.425) 1.462 3.097 ( 0.000 1.263 -1.303) 1.815 3.097 ( 0.000 1.263 1.303) 1.815 3.186 ( 0.000 0.168 -2.861) 2.865 3.186 ( 0.000 0.168 2.861) 2.865 3.524 ( 0.000 -7.990 -4.165) 9.010 3.524 ( 0.000 -7.990 4.165) 9.010 4.152 ( 0.000 2.581 -4.820) 5.467 4.152 ( 0.000 2.581 4.820) 5.467 4.823 ( 0.000 8.278 -1.468) 8.407 4.823 ( 0.000 8.278 1.468) 8.407 5.202 ( 0.000 16.255 -0.040) 16.255 5.202 ( 0.000 16.255 0.040) 16.255 6.584 ( 0.000 2.003 -0.641) 2.103 6.584 ( 0.000 2.003 0.641) 2.103 6.714 ( 0.000 -2.286 -1.498) 2.733 6.714 ( 0.000 -2.286 1.498) 2.733 7.105 ( 0.000 -0.683 -4.727) 4.777 7.105 ( 0.000 -0.683 4.727) 4.777 7.285 ( 0.000 -2.156 -1.695) 2.743 7.285 ( 0.000 -2.156 1.695) 2.743 7.583 ( 0.000 4.181 -0.459) 4.206 7.583 ( 0.000 4.181 0.459) 4.206 7.754 ( 0.000 0.749 -1.822) 1.970 7.754 ( 0.000 0.749 1.822) 1.970 8.086 ( 0.000 8.844 -0.067) 8.844 8.086 ( 0.000 8.844 0.067) 8.844 8.479 ( 0.000 5.520 -4.595) 7.183 8.479 ( 0.000 5.520 4.595) 7.183 8.879 ( 0.000 7.459 -0.152) 7.460 8.879 ( 0.000 7.459 0.152) 7.460 9.210 ( 0.000 -1.539 -1.646) 2.254 9.210 ( 0.000 -1.539 1.646) 2.254 9.990 ( 0.000 -3.390 -1.614) 3.755 9.990 ( 0.000 -3.390 1.614) 3.755 10.080 ( 0.000 -3.501 -2.611) 4.367 10.080 ( 0.000 -3.501 2.611) 4.367 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -0.861 6.752 -2.625) 7.295 2.081 ( -0.861 6.752 2.625) 7.295 2.103 ( -0.583 5.864 -1.941) 6.205 2.103 ( -0.583 5.864 1.941) 6.205 2.372 ( 1.374 3.285 -2.309) 4.244 2.372 ( 1.374 3.285 2.309) 4.244 2.606 ( -2.289 5.634 -2.624) 6.624 2.606 ( -2.289 5.634 2.624) 6.624 2.795 ( 4.403 -0.676 -7.234) 8.496 2.795 ( 4.403 -0.676 7.234) 8.496 2.989 ( -4.808 0.441 -4.594) 6.664 2.989 ( -4.808 0.441 4.594) 6.664 3.097 ( 0.024 1.095 -0.218) 1.117 3.097 ( 0.024 1.095 0.218) 1.117 3.181 ( -0.299 -0.266 -1.130) 1.198 3.181 ( -0.299 -0.266 1.130) 1.198 3.622 ( 9.004 -5.606 -3.721) 11.240 3.622 ( 9.004 -5.606 3.721) 11.240 4.055 ( -9.018 0.580 -4.718) 10.194 4.055 ( -9.018 0.580 4.718) 10.194 4.884 ( 5.198 9.906 -2.101) 11.383 4.884 ( 5.198 9.906 2.101) 11.383 5.176 ( -2.523 15.667 -0.894) 15.894 5.176 ( -2.523 15.667 0.894) 15.894 6.584 ( -0.005 2.126 -0.446) 2.173 6.584 ( -0.005 2.126 0.446) 2.173 6.714 ( -0.003 -2.357 -1.056) 2.583 6.714 ( -0.003 -2.357 1.056) 2.583 7.095 ( -0.768 -0.545 -3.087) 3.227 7.095 ( -0.768 -0.545 3.087) 3.227 7.300 ( 1.173 -2.828 -1.160) 3.274 7.300 ( 1.173 -2.828 1.160) 3.274 7.584 ( 0.075 4.690 -0.630) 4.733 7.584 ( 0.075 4.690 0.630) 4.733 7.739 ( -1.255 0.955 -1.131) 1.940 7.739 ( -1.255 0.955 1.131) 1.940 8.107 ( 1.719 8.576 -0.247) 8.750 8.107 ( 1.719 8.576 0.247) 8.750 8.477 ( -0.157 5.537 -3.462) 6.533 8.477 ( -0.157 5.537 3.462) 6.533 8.877 ( -0.160 8.164 -0.209) 8.169 8.877 ( -0.160 8.164 0.209) 8.169 9.199 ( -0.976 -2.546 -1.177) 2.970 9.199 ( -0.976 -2.546 1.177) 2.970 10.006 ( 1.531 -3.223 -1.885) 4.036 10.006 ( 1.531 -3.223 1.885) 4.036 10.070 ( -1.105 -3.399 -2.554) 4.393 10.070 ( -1.105 -3.399 2.554) 4.393 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -0.000 7.396 -0.000) 7.396 2.071 ( 0.000 7.396 -0.000) 7.396 2.096 ( 0.000 4.909 0.000) 4.909 2.096 ( 0.000 4.909 0.000) 4.909 2.389 ( 0.000 3.655 0.000) 3.655 2.389 ( 0.000 3.655 0.000) 3.655 2.581 ( 0.000 5.893 -0.000) 5.893 2.581 ( 0.000 5.893 0.000) 5.893 2.884 ( -0.000 0.931 0.000) 0.931 2.884 ( 0.000 0.931 0.000) 0.931 2.894 ( -0.000 -1.956 -0.000) 1.956 2.894 ( 0.000 -1.956 -0.000) 1.956 3.098 ( 0.000 1.051 -0.000) 1.051 3.098 ( 0.000 1.051 0.000) 1.051 3.178 ( -0.000 -0.409 0.000) 0.409 3.178 ( 0.000 -0.409 0.000) 0.409 3.779 ( -0.000 -1.746 -0.000) 1.746 3.779 ( 0.000 -1.746 -0.000) 1.746 3.898 ( -0.000 -3.251 0.000) 3.251 3.898 ( 0.000 -3.251 0.000) 3.251 4.952 ( -0.000 11.640 -0.000) 11.640 4.952 ( 0.000 11.640 0.000) 11.640 5.137 ( -0.000 14.745 0.000) 14.745 5.137 ( 0.000 14.745 0.000) 14.745 6.584 ( 0.000 2.243 0.000) 2.243 6.584 ( 0.000 2.243 0.000) 2.243 6.714 ( 0.000 -2.420 0.000) 2.420 6.714 ( 0.000 -2.420 0.000) 2.420 7.086 ( 0.000 -0.447 0.000) 0.447 7.086 ( 0.000 -0.447 0.000) 0.447 7.313 ( 0.000 -3.515 -0.000) 3.515 7.313 ( 0.000 -3.515 0.000) 3.515 7.585 ( 0.000 5.322 0.000) 5.322 7.585 ( 0.000 5.322 0.000) 5.322 7.724 ( 0.000 1.019 0.000) 1.019 7.724 ( 0.000 1.019 0.000) 1.019 8.127 ( -0.000 8.377 0.000) 8.377 8.127 ( 0.000 8.377 0.000) 8.377 8.475 ( -0.000 5.558 -0.000) 5.558 8.475 ( 0.000 5.558 0.000) 5.558 8.875 ( -0.000 8.919 0.000) 8.919 8.875 ( 0.000 8.919 0.000) 8.919 9.187 ( 0.000 -3.589 0.000) 3.589 9.187 ( 0.000 -3.589 0.000) 3.589 10.036 ( -0.000 -2.742 -0.000) 2.742 10.036 ( 0.000 -2.742 0.000) 2.742 10.045 ( 0.000 -3.625 -0.000) 3.625 10.045 ( 0.000 -3.625 0.000) 3.625 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 0.000 1.560 -2.254) 2.742 2.147 ( 0.000 1.560 2.254) 2.742 2.291 ( 0.000 9.204 -2.384) 9.508 2.291 ( 0.000 9.204 2.384) 9.508 2.428 ( 0.000 4.437 -0.549) 4.471 2.428 ( 0.000 4.437 0.549) 4.471 2.720 ( 0.000 -0.947 -5.792) 5.869 2.720 ( 0.000 -0.947 5.792) 5.869 2.742 ( 0.000 3.789 -0.098) 3.790 2.742 ( 0.000 3.789 0.098) 3.790 3.022 ( 0.000 -2.832 -0.557) 2.886 3.022 ( 0.000 -2.832 0.557) 2.886 3.134 ( 0.000 2.055 -1.186) 2.372 3.134 ( 0.000 2.055 1.186) 2.372 3.182 ( 0.000 -0.625 -2.215) 2.302 3.182 ( 0.000 -0.625 2.215) 2.302 3.363 ( 0.000 -6.893 -1.344) 7.023 3.363 ( 0.000 -6.893 1.344) 7.023 4.067 ( 0.000 -7.978 -4.187) 9.009 4.067 ( 0.000 -7.978 4.187) 9.009 5.081 ( 0.000 14.263 -1.125) 14.307 5.081 ( 0.000 14.263 1.125) 14.307 5.495 ( 0.000 12.408 -0.082) 12.409 5.495 ( 0.000 12.408 0.082) 12.409 6.612 ( 0.000 0.545 -0.507) 0.744 6.612 ( 0.000 0.545 0.507) 0.744 6.693 ( 0.000 0.452 -1.364) 1.436 6.693 ( 0.000 0.452 1.364) 1.436 7.107 ( 0.000 0.821 -3.174) 3.279 7.107 ( 0.000 0.821 3.174) 3.279 7.234 ( 0.000 -2.812 -1.540) 3.206 7.234 ( 0.000 -2.812 1.540) 3.206 7.650 ( 0.000 2.355 -0.296) 2.373 7.650 ( 0.000 2.355 0.296) 2.373 7.774 ( 0.000 1.135 -0.892) 1.443 7.774 ( 0.000 1.135 0.892) 1.443 8.219 ( 0.000 4.665 -0.025) 4.665 8.219 ( 0.000 4.665 0.025) 4.665 8.513 ( 0.000 -0.969 -2.690) 2.859 8.513 ( 0.000 -0.969 2.690) 2.859 8.970 ( 0.000 2.562 -0.285) 2.578 8.970 ( 0.000 2.562 0.285) 2.578 9.218 ( 0.000 1.255 -1.205) 1.739 9.218 ( 0.000 1.255 1.205) 1.739 9.938 ( 0.000 -1.913 -1.026) 2.171 9.938 ( 0.000 -1.913 1.026) 2.171 10.025 ( 0.000 -2.079 -1.409) 2.512 10.025 ( 0.000 -2.079 1.409) 2.512 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 1.237 2.664 -1.736) 3.412 2.158 ( 1.237 2.664 1.736) 3.412 2.253 ( -3.166 7.667 -1.419) 8.415 2.253 ( -3.166 7.667 1.419) 8.415 2.455 ( 1.936 4.877 -0.915) 5.326 2.455 ( 1.936 4.877 0.915) 5.326 2.706 ( -0.894 3.705 -2.152) 4.377 2.706 ( -0.894 3.705 2.152) 4.377 2.778 ( 3.178 -0.777 -4.551) 5.605 2.778 ( 3.178 -0.777 4.551) 5.605 2.959 ( -5.461 -3.158 -4.263) 7.614 2.959 ( -5.461 -3.158 4.263) 7.614 3.129 ( -0.211 1.942 -0.279) 1.973 3.129 ( -0.211 1.942 0.279) 1.973 3.166 ( -0.638 -0.782 -0.748) 1.256 3.166 ( -0.638 -0.782 0.748) 1.256 3.496 ( 11.205 -6.181 -1.086) 12.843 3.496 ( 11.205 -6.181 1.086) 12.843 3.965 ( -9.751 -7.384 -3.550) 12.736 3.965 ( -9.751 -7.384 3.550) 12.736 5.148 ( 5.942 14.060 -1.292) 15.319 5.148 ( 5.942 14.060 1.292) 15.319 5.461 ( -3.382 12.065 -0.647) 12.547 5.461 ( -3.382 12.065 0.647) 12.547 6.620 ( 0.648 1.117 -0.481) 1.378 6.620 ( 0.648 1.117 0.481) 1.378 6.687 ( -0.621 -0.124 -1.070) 1.243 6.687 ( -0.621 -0.124 1.070) 1.243 7.100 ( -0.536 0.998 -2.125) 2.408 7.100 ( -0.536 0.998 2.125) 2.408 7.239 ( 0.354 -3.196 -1.035) 3.378 7.239 ( 0.354 -3.196 1.035) 3.378 7.658 ( 0.837 2.674 -0.498) 2.846 7.658 ( 0.837 2.674 0.498) 2.846 7.756 ( -1.508 0.859 -0.572) 1.827 7.756 ( -1.508 0.859 0.572) 1.827 8.243 ( 1.981 5.136 -0.215) 5.509 8.243 ( 1.981 5.136 0.215) 5.509 8.507 ( -0.534 -1.400 -2.084) 2.566 8.507 ( -0.534 -1.400 2.084) 2.566 8.986 ( 1.482 3.311 -0.379) 3.648 8.986 ( 1.482 3.311 0.379) 3.648 9.185 ( -2.951 0.368 -1.030) 3.147 9.185 ( -2.951 0.368 1.030) 3.147 9.956 ( 1.717 -1.827 -1.182) 2.772 9.956 ( 1.717 -1.827 1.182) 2.772 10.017 ( -0.916 -1.981 -1.425) 2.606 10.017 ( -0.916 -1.981 1.425) 2.606 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -0.000 5.044 -0.000) 5.044 2.194 ( 0.000 5.044 -0.000) 5.044 2.196 ( -0.000 5.265 0.000) 5.265 2.196 ( 0.000 5.265 0.000) 5.265 2.476 ( 0.000 4.869 0.000) 4.869 2.476 ( -0.000 4.869 0.000) 4.869 2.696 ( 0.000 5.234 -0.000) 5.234 2.696 ( 0.000 5.234 -0.000) 5.234 2.855 ( -0.000 -1.772 0.001) 1.772 2.855 ( 0.000 -1.772 0.001) 1.772 2.857 ( -0.001 -3.578 -0.001) 3.578 2.857 ( 0.000 -3.578 -0.000) 3.578 3.128 ( 0.000 1.888 -0.000) 1.888 3.128 ( 0.000 1.888 0.000) 1.888 3.161 ( 0.000 -0.749 0.000) 0.749 3.161 ( -0.000 -0.749 0.000) 0.749 3.700 ( -0.000 -5.176 0.000) 5.176 3.700 ( 0.000 -5.176 0.000) 5.176 3.773 ( -0.000 -7.813 -0.000) 7.813 3.773 ( 0.000 -7.813 0.000) 7.813 5.231 ( -0.000 14.590 0.000) 14.590 5.231 ( 0.000 14.590 0.000) 14.590 5.407 ( -0.000 11.155 0.000) 11.155 5.407 ( 0.000 11.155 0.000) 11.155 6.628 ( -0.000 2.102 0.000) 2.102 6.628 ( 0.000 2.102 0.000) 2.102 6.678 ( 0.000 -1.114 0.000) 1.114 6.678 ( 0.000 -1.114 0.000) 1.114 7.094 ( 0.000 1.143 0.000) 1.143 7.094 ( 0.000 1.143 0.000) 1.143 7.242 ( 0.000 -3.543 -0.000) 3.543 7.242 ( 0.000 -3.543 0.000) 3.543 7.671 ( -0.000 3.316 0.000) 3.316 7.671 ( 0.000 3.316 0.000) 3.316 7.736 ( -0.000 0.258 0.000) 0.258 7.736 ( 0.000 0.258 0.000) 0.258 8.267 ( -0.000 5.736 0.000) 5.736 8.267 ( 0.000 5.736 0.000) 5.736 8.500 ( -0.000 -1.966 -0.000) 1.966 8.500 ( 0.000 -1.966 0.000) 1.966 9.008 ( -0.000 4.825 0.000) 4.825 9.008 ( 0.000 4.825 0.000) 4.825 9.145 ( -0.000 -1.263 0.000) 1.263 9.145 ( 0.000 -1.263 0.000) 1.263 9.991 ( -0.000 -1.913 0.000) 1.913 9.991 ( -0.000 -1.913 0.000) 1.913 9.992 ( 0.000 -1.728 -0.000) 1.728 9.992 ( 0.000 -1.728 0.000) 1.728 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 0.000 0.428 -0.759) 0.871 2.165 ( 0.000 0.428 0.759) 0.871 2.430 ( 0.000 3.376 -0.555) 3.421 2.430 ( 0.000 3.376 0.555) 3.421 2.543 ( 0.000 7.154 -0.474) 7.170 2.543 ( 0.000 7.154 0.474) 7.170 2.709 ( 0.000 -0.163 -0.239) 0.289 2.709 ( 0.000 -0.163 0.239) 0.289 2.748 ( 0.000 -3.674 -2.108) 4.235 2.748 ( 0.000 -3.674 2.108) 4.235 2.954 ( 0.000 -2.453 -0.066) 2.453 2.954 ( 0.000 -2.453 0.066) 2.453 3.165 ( 0.000 -0.718 -1.168) 1.371 3.165 ( 0.000 -0.718 1.168) 1.371 3.170 ( 0.000 1.148 -0.540) 1.269 3.170 ( 0.000 1.148 0.540) 1.269 3.292 ( 0.000 -0.738 -0.280) 0.789 3.292 ( 0.000 -0.738 0.280) 0.789 3.926 ( 0.000 -4.644 -1.790) 4.978 3.926 ( 0.000 -4.644 1.790) 4.978 5.296 ( 0.000 6.123 -0.389) 6.136 5.296 ( 0.000 6.123 0.389) 6.136 5.664 ( 0.000 4.350 -0.031) 4.350 5.664 ( 0.000 4.350 0.031) 4.350 6.614 ( 0.000 -0.069 -0.021) 0.072 6.614 ( 0.000 -0.069 0.021) 0.072 6.716 ( 0.000 1.014 -0.330) 1.066 6.716 ( 0.000 1.014 0.330) 1.066 7.133 ( 0.000 1.732 -0.952) 1.977 7.133 ( 0.000 1.732 0.952) 1.977 7.180 ( 0.000 -2.488 -0.737) 2.595 7.180 ( 0.000 -2.488 0.737) 2.595 7.677 ( 0.000 0.584 -0.095) 0.591 7.677 ( 0.000 0.584 0.095) 0.591 7.793 ( 0.000 0.622 -0.219) 0.659 7.793 ( 0.000 0.622 0.219) 0.659 8.274 ( 0.000 1.160 -0.003) 1.160 8.274 ( 0.000 1.160 0.003) 1.160 8.484 ( 0.000 -1.160 -0.882) 1.458 8.484 ( 0.000 -1.160 0.882) 1.458 9.001 ( 0.000 0.696 -0.049) 0.698 9.001 ( 0.000 0.696 0.049) 0.698 9.236 ( 0.000 0.439 -0.353) 0.564 9.236 ( 0.000 0.439 0.353) 0.564 9.914 ( 0.000 -0.574 -0.339) 0.667 9.914 ( 0.000 -0.574 0.339) 0.667 9.998 ( 0.000 -0.722 -0.412) 0.831 9.998 ( 0.000 -0.722 0.412) 0.831 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 3.150 1.066 -0.674) 3.394 2.196 ( 3.150 1.066 0.674) 3.394 2.374 ( -4.816 3.529 -0.795) 6.024 2.374 ( -4.816 3.529 0.795) 6.024 2.566 ( 1.614 6.378 -0.839) 6.632 2.566 ( 1.614 6.378 0.839) 6.632 2.727 ( 0.576 -3.153 -1.077) 3.381 2.727 ( 0.576 -3.153 1.077) 3.381 2.749 ( 1.356 -1.097 -3.316) 3.747 2.749 ( 1.356 -1.097 3.316) 3.747 2.897 ( -4.590 -1.651 -1.654) 5.151 2.897 ( -4.590 -1.651 1.654) 5.151 3.159 ( -0.080 0.508 -0.719) 0.885 3.159 ( -0.080 0.508 0.720) 0.885 3.168 ( -0.255 0.971 -0.764) 1.262 3.168 ( -0.255 0.971 0.764) 1.262 3.409 ( 10.239 -2.238 -0.705) 10.504 3.409 ( 10.239 -2.238 0.705) 10.504 3.835 ( -8.869 -4.282 -1.554) 9.970 3.835 ( -8.869 -4.282 1.554) 9.970 5.362 ( 6.221 6.197 -0.459) 8.793 5.362 ( 6.221 6.197 0.459) 8.793 5.623 ( -4.188 4.101 -0.263) 5.867 5.623 ( -4.188 4.101 0.263) 5.867 6.628 ( 1.478 0.100 -0.110) 1.486 6.628 ( 1.478 0.100 0.110) 1.486 6.701 ( -1.486 0.819 -0.269) 1.718 6.701 ( -1.486 0.819 0.269) 1.718 7.130 ( -0.252 1.954 -0.704) 2.092 7.130 ( -0.252 1.954 0.704) 2.092 7.179 ( -0.102 -2.741 -0.568) 2.801 7.179 ( -0.102 -2.741 0.568) 2.801 7.690 ( 1.305 0.665 -0.244) 1.485 7.690 ( 1.305 0.665 0.244) 1.485 7.771 ( -2.062 0.461 -0.201) 2.122 7.771 ( -2.062 0.461 0.201) 2.122 8.311 ( 3.325 1.782 -0.154) 3.776 8.311 ( 3.325 1.782 0.154) 3.776 8.466 ( -1.763 -1.713 -0.775) 2.577 8.466 ( -1.763 -1.713 0.775) 2.577 9.025 ( 2.555 0.907 -0.162) 2.716 9.025 ( 2.555 0.907 0.162) 2.716 9.192 ( -4.139 0.200 -0.353) 4.159 9.192 ( -4.139 0.200 0.353) 4.159 9.933 ( 1.762 -0.563 -0.386) 1.890 9.933 ( 1.762 -0.563 0.386) 1.890 9.990 ( -0.782 -0.682 -0.428) 1.122 9.990 ( -0.782 -0.682 0.428) 1.122 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -0.001 2.458 -0.000) 2.458 2.275 ( 0.001 2.458 -0.000) 2.458 2.277 ( -0.001 2.491 0.000) 2.491 2.277 ( 0.001 2.491 0.000) 2.491 2.584 ( -0.000 6.449 0.000) 6.449 2.584 ( 0.000 6.449 0.000) 6.449 2.723 ( 0.000 -5.982 -0.000) 5.982 2.723 ( 0.000 -5.982 0.000) 5.982 2.796 ( -0.000 1.291 0.000) 1.291 2.796 ( 0.000 1.291 0.000) 1.291 2.826 ( -0.000 -1.301 0.000) 1.301 2.826 ( 0.000 -1.301 0.000) 1.301 3.162 ( -0.000 1.112 -0.000) 1.112 3.162 ( 0.000 1.112 -0.000) 1.112 3.163 ( -0.000 0.677 0.000) 0.677 3.163 ( 0.000 0.677 0.000) 0.677 3.616 ( -0.000 -2.240 0.000) 2.240 3.616 ( 0.000 -2.240 0.000) 2.240 3.640 ( -0.000 -4.644 -0.000) 4.644 3.640 ( 0.000 -4.644 -0.000) 4.644 5.469 ( -0.000 8.474 0.000) 8.474 5.469 ( 0.000 8.474 0.000) 8.474 5.539 ( -0.000 1.683 0.000) 1.683 5.539 ( 0.000 1.683 0.000) 1.683 6.660 ( -0.000 0.991 0.000) 0.991 6.660 ( 0.000 0.991 0.000) 0.991 6.669 ( 0.000 -0.098 0.000) 0.098 6.669 ( 0.000 -0.098 0.000) 0.098 7.127 ( 0.000 2.141 0.000) 2.141 7.127 ( 0.000 2.141 0.000) 2.141 7.177 ( 0.000 -2.954 0.000) 2.954 7.177 ( 0.000 -2.954 0.000) 2.954 7.717 ( -0.000 1.478 0.000) 1.478 7.717 ( 0.000 1.478 0.000) 1.478 7.735 ( -0.000 -0.422 0.000) 0.422 7.735 ( 0.000 -0.422 0.000) 0.422 8.360 ( -0.000 3.970 0.000) 3.970 8.360 ( 0.000 3.970 0.000) 3.970 8.436 ( -0.000 -3.843 0.000) 3.843 8.436 ( 0.000 -3.843 0.000) 3.843 9.079 ( -0.000 2.647 0.000) 2.647 9.079 ( 0.000 2.647 0.000) 2.647 9.120 ( -0.000 -1.562 0.000) 1.562 9.120 ( 0.000 -1.562 0.000) 1.562 9.967 ( -0.000 -0.544 0.000) 0.544 9.967 ( -0.000 -0.544 0.000) 0.544 9.968 ( 0.000 -0.656 -0.000) 0.656 9.968 ( 0.000 -0.656 -0.000) 0.656 =================== 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 10.0 945.190 865.194 839.298 0.000 0.000 0.000 3/19968 20.0 125.411 164.917 129.781 0.000 0.000 -0.000 3/19968 30.0 43.162 74.314 49.350 0.000 0.000 -0.000 3/19968 40.0 24.239 45.404 28.472 0.000 0.000 -0.000 3/19968 50.0 16.434 31.499 19.383 0.000 0.000 -0.000 3/19968 60.0 12.235 23.544 14.394 0.000 0.000 -0.000 3/19968 70.0 9.649 18.537 11.303 0.000 0.000 -0.000 3/19968 80.0 7.921 15.173 9.237 0.000 0.000 -0.000 3/19968 90.0 6.698 12.798 7.778 0.000 0.000 -0.000 3/19968 100.0 5.796 11.051 6.705 0.000 0.000 -0.000 3/19968 110.0 5.105 9.722 5.888 0.000 0.000 -0.000 3/19968 120.0 4.563 8.682 5.248 0.000 0.000 -0.000 3/19968 130.0 4.125 7.847 4.734 0.000 0.000 -0.000 3/19968 140.0 3.766 7.163 4.314 0.000 0.000 -0.000 3/19968 150.0 3.466 6.593 3.964 0.000 0.000 -0.000 3/19968 160.0 3.211 6.109 3.668 0.000 0.000 -0.000 3/19968 170.0 2.992 5.695 3.414 0.000 0.000 -0.000 3/19968 180.0 2.802 5.335 3.194 0.000 0.000 -0.000 3/19968 190.0 2.635 5.020 3.002 0.000 0.000 -0.000 3/19968 200.0 2.488 4.742 2.832 0.000 0.000 -0.000 3/19968 210.0 2.357 4.493 2.681 0.000 0.000 -0.000 3/19968 220.0 2.239 4.271 2.546 0.000 0.000 -0.000 3/19968 230.0 2.133 4.070 2.425 0.000 0.000 -0.000 3/19968 240.0 2.037 3.888 2.314 0.000 0.000 -0.000 3/19968 250.0 1.949 3.721 2.214 0.000 0.000 -0.000 3/19968 260.0 1.869 3.569 2.122 0.000 0.000 -0.000 3/19968 270.0 1.795 3.430 2.038 0.000 0.000 -0.000 3/19968 280.0 1.727 3.300 1.960 0.000 0.000 -0.000 3/19968 290.0 1.664 3.181 1.889 0.000 0.000 -0.000 3/19968 300.0 1.606 3.070 1.822 0.000 0.000 -0.000 3/19968 310.0 1.551 2.967 1.760 0.000 0.000 -0.000 3/19968 320.0 1.500 2.871 1.702 0.000 0.000 -0.000 3/19968 330.0 1.453 2.780 1.648 0.000 0.000 -0.000 3/19968 340.0 1.409 2.696 1.598 0.000 0.000 -0.000 3/19968 350.0 1.367 2.616 1.550 0.000 0.000 -0.000 3/19968 360.0 1.327 2.541 1.505 0.000 0.000 -0.000 3/19968 370.0 1.290 2.471 1.463 0.000 0.000 -0.000 3/19968 380.0 1.255 2.404 1.423 0.000 0.000 -0.000 3/19968 390.0 1.222 2.341 1.385 0.000 0.000 -0.000 3/19968 400.0 1.191 2.281 1.350 0.000 0.000 -0.000 3/19968 410.0 1.161 2.224 1.316 0.000 0.000 -0.000 3/19968 420.0 1.132 2.170 1.284 0.000 0.000 -0.000 3/19968 430.0 1.105 2.118 1.253 0.000 0.000 -0.000 3/19968 440.0 1.080 2.069 1.224 0.000 0.000 -0.000 3/19968 450.0 1.055 2.022 1.196 0.000 0.000 -0.000 3/19968 460.0 1.032 1.978 1.169 0.000 0.000 -0.000 3/19968 470.0 1.009 1.935 1.144 0.000 0.000 -0.000 3/19968 480.0 0.988 1.894 1.119 0.000 0.000 -0.000 3/19968 490.0 0.967 1.855 1.096 0.000 0.000 -0.000 3/19968 500.0 0.948 1.817 1.074 0.000 0.000 -0.000 3/19968 510.0 0.929 1.781 1.052 0.000 0.000 -0.000 3/19968 520.0 0.910 1.746 1.032 0.000 0.000 -0.000 3/19968 530.0 0.893 1.713 1.012 0.000 0.000 -0.000 3/19968 540.0 0.876 1.681 0.993 0.000 0.000 -0.000 3/19968 550.0 0.860 1.650 0.975 0.000 0.000 -0.000 3/19968 560.0 0.844 1.620 0.957 0.000 0.000 -0.000 3/19968 570.0 0.829 1.591 0.940 0.000 0.000 -0.000 3/19968 580.0 0.815 1.564 0.923 0.000 0.000 -0.000 3/19968 590.0 0.801 1.537 0.908 0.000 0.000 -0.000 3/19968 600.0 0.787 1.511 0.892 0.000 0.000 -0.000 3/19968 610.0 0.774 1.486 0.877 0.000 0.000 -0.000 3/19968 620.0 0.762 1.462 0.863 0.000 0.000 -0.000 3/19968 630.0 0.750 1.438 0.849 0.000 0.000 -0.000 3/19968 640.0 0.738 1.416 0.836 0.000 0.000 -0.000 3/19968 650.0 0.726 1.394 0.823 0.000 0.000 -0.000 3/19968 660.0 0.715 1.373 0.810 0.000 0.000 -0.000 3/19968 670.0 0.704 1.352 0.798 0.000 0.000 -0.000 3/19968 680.0 0.694 1.332 0.786 0.000 0.000 -0.000 3/19968 690.0 0.684 1.313 0.775 0.000 0.000 -0.000 3/19968 700.0 0.674 1.294 0.763 0.000 0.000 -0.000 3/19968 710.0 0.664 1.275 0.753 0.000 0.000 -0.000 3/19968 720.0 0.655 1.257 0.742 0.000 0.000 -0.000 3/19968 730.0 0.646 1.240 0.732 0.000 0.000 -0.000 3/19968 740.0 0.637 1.223 0.722 0.000 0.000 -0.000 3/19968 750.0 0.629 1.207 0.712 0.000 0.000 -0.000 3/19968 760.0 0.620 1.191 0.703 0.000 0.000 -0.000 3/19968 770.0 0.612 1.175 0.693 0.000 0.000 -0.000 3/19968 780.0 0.604 1.160 0.685 0.000 0.000 -0.000 3/19968 790.0 0.597 1.146 0.676 0.000 0.000 -0.000 3/19968 800.0 0.589 1.131 0.667 0.000 0.000 -0.000 3/19968 810.0 0.582 1.117 0.659 0.000 0.000 -0.000 3/19968 820.0 0.575 1.103 0.651 0.000 0.000 -0.000 3/19968 830.0 0.568 1.090 0.643 0.000 0.000 -0.000 3/19968 840.0 0.561 1.077 0.635 0.000 0.000 -0.000 3/19968 850.0 0.554 1.064 0.628 0.000 0.000 -0.000 3/19968 860.0 0.548 1.052 0.620 0.000 0.000 -0.000 3/19968 870.0 0.541 1.040 0.613 0.000 0.000 -0.000 3/19968 880.0 0.535 1.028 0.606 0.000 0.000 -0.000 3/19968 890.0 0.529 1.016 0.599 0.000 0.000 -0.000 3/19968 900.0 0.523 1.005 0.593 0.000 0.000 -0.000 3/19968 910.0 0.517 0.994 0.586 0.000 0.000 -0.000 3/19968 920.0 0.512 0.983 0.580 0.000 0.000 -0.000 3/19968 930.0 0.506 0.972 0.574 0.000 0.000 -0.000 3/19968 940.0 0.501 0.962 0.567 0.000 0.000 -0.000 3/19968 950.0 0.496 0.952 0.561 0.000 0.000 -0.000 3/19968 960.0 0.490 0.942 0.556 0.000 0.000 -0.000 3/19968 970.0 0.485 0.932 0.550 0.000 0.000 -0.000 3/19968 980.0 0.480 0.923 0.544 0.000 0.000 -0.000 3/19968 990.0 0.475 0.913 0.539 0.000 0.000 -0.000 3/19968 1000.0 0.471 0.904 0.533 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 2026-01-07 23:45:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|