----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:42:48]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.597356235016589 -1.949554065000000 0.000000000000000 b 6.597356235016589 1.949554065000000 0.000000000000000 c -6.565868855318204 0.000000000000000 7.845791994407235 Atomic positions (fractional): *1 N 0.64908181681598 0.64908181681598 0.36133812010373 14.007 2 N 0.35091818318402 0.35091818318402 0.63866187989627 14.007 *3 Se 0.16607813119216 0.16607813119216 0.77221573182742 78.960 *4 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 5 Se 0.83392186880784 0.83392186880784 0.22778426817258 78.960 *6 Tb 0.55950524820731 0.55950524820731 0.85145113640974 158.925 7 Tb 0.44049475179269 0.44049475179269 0.14854886359026 158.925 *8 Tb 0.24447156697104 0.24447156697104 0.36008604215197 158.925 9 Tb 0.75552843302896 0.75552843302896 0.63991395784803 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.194712470033178 0.000000000000000 0.000000000000000 b 0.000000000000000 3.899108130000000 0.000000000000000 c -6.565868855318204 0.000000000000000 7.845791994407235 Atomic positions (fractional): *1 N 0.14908181681598 0.50000000000000 0.36133812010373 14.007 > 1 2 N 0.85091818318402 0.50000000000000 0.63866187989627 14.007 > 2 3 N 0.64908181681598 0.00000000000000 0.36133812010373 14.007 > 1 4 N 0.35091818318402 0.00000000000000 0.63866187989627 14.007 > 2 *5 Se 0.16607813119216 0.00000000000000 0.77221573182742 78.960 > 3 *6 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 4 7 Se 0.83392186880784 0.00000000000000 0.22778426817258 78.960 > 5 8 Se 0.66607813119216 0.50000000000000 0.77221573182742 78.960 > 3 9 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 4 10 Se 0.33392186880783 0.50000000000000 0.22778426817258 78.960 > 5 *11 Tb 0.05950524820731 0.50000000000000 0.85145113640974 158.925 > 6 12 Tb 0.94049475179269 0.50000000000000 0.14854886359026 158.925 > 7 *13 Tb 0.74447156697104 0.50000000000000 0.36008604215197 158.925 > 8 14 Tb 0.25552843302896 0.50000000000000 0.63991395784803 158.925 > 9 15 Tb 0.55950524820731 0.00000000000000 0.85145113640974 158.925 > 6 16 Tb 0.44049475179269 0.00000000000000 0.14854886359026 158.925 > 7 17 Tb 0.24447156697104 0.00000000000000 0.36008604215197 158.925 > 8 18 Tb 0.75552843302896 0.00000000000000 0.63991395784803 158.925 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.194712470033178 0.000000000000000 0.000000000000000 b 0.000000000000000 15.596432520000000 0.000000000000000 c -13.131737710636408 0.000000000000000 15.691583988814470 Atomic positions (fractional): *1 N 0.14908181681598 0.12500000000000 0.18066906005186 14.007 > 1 2 N 0.14908181681598 0.37500000000000 0.18066906005186 14.007 > 1 3 N 0.14908181681598 0.62500000000000 0.18066906005186 14.007 > 1 4 N 0.14908181681598 0.87500000000000 0.18066906005186 14.007 > 1 5 N 0.14908181681598 0.12500000000000 0.68066906005186 14.007 > 1 6 N 0.14908181681598 0.37500000000000 0.68066906005186 14.007 > 1 7 N 0.14908181681598 0.62500000000000 0.68066906005186 14.007 > 1 8 N 0.14908181681598 0.87500000000000 0.68066906005186 14.007 > 1 9 N 0.85091818318402 0.12500000000000 0.31933093994814 14.007 > 2 10 N 0.85091818318402 0.37500000000000 0.31933093994814 14.007 > 2 11 N 0.85091818318402 0.62500000000000 0.31933093994814 14.007 > 2 12 N 0.85091818318402 0.87500000000000 0.31933093994814 14.007 > 2 13 N 0.85091818318402 0.12500000000000 0.81933093994814 14.007 > 2 14 N 0.85091818318402 0.37500000000000 0.81933093994814 14.007 > 2 15 N 0.85091818318402 0.62500000000000 0.81933093994814 14.007 > 2 16 N 0.85091818318402 0.87500000000000 0.81933093994814 14.007 > 2 17 N 0.64908181681598 0.00000000000000 0.18066906005186 14.007 > 1 18 N 0.64908181681598 0.25000000000000 0.18066906005186 14.007 > 1 19 N 0.64908181681598 0.50000000000000 0.18066906005186 14.007 > 1 20 N 0.64908181681598 0.75000000000000 0.18066906005186 14.007 > 1 21 N 0.64908181681598 0.00000000000000 0.68066906005186 14.007 > 1 22 N 0.64908181681598 0.25000000000000 0.68066906005186 14.007 > 1 23 N 0.64908181681598 0.50000000000000 0.68066906005186 14.007 > 1 24 N 0.64908181681598 0.75000000000000 0.68066906005186 14.007 > 1 25 N 0.35091818318402 0.00000000000000 0.31933093994814 14.007 > 2 26 N 0.35091818318402 0.25000000000000 0.31933093994814 14.007 > 2 27 N 0.35091818318402 0.50000000000000 0.31933093994814 14.007 > 2 28 N 0.35091818318402 0.75000000000000 0.31933093994814 14.007 > 2 29 N 0.35091818318402 0.00000000000000 0.81933093994814 14.007 > 2 30 N 0.35091818318402 0.25000000000000 0.81933093994814 14.007 > 2 31 N 0.35091818318402 0.50000000000000 0.81933093994814 14.007 > 2 32 N 0.35091818318402 0.75000000000000 0.81933093994814 14.007 > 2 *33 Se 0.16607813119216 0.00000000000000 0.38610786591371 78.960 > 3 34 Se 0.16607813119216 0.25000000000000 0.38610786591371 78.960 > 3 35 Se 0.16607813119216 0.50000000000000 0.38610786591371 78.960 > 3 36 Se 0.16607813119216 0.75000000000000 0.38610786591371 78.960 > 3 37 Se 0.16607813119216 0.00000000000000 0.88610786591371 78.960 > 3 38 Se 0.16607813119216 0.25000000000000 0.88610786591371 78.960 > 3 39 Se 0.16607813119216 0.50000000000000 0.88610786591371 78.960 > 3 40 Se 0.16607813119216 0.75000000000000 0.88610786591371 78.960 > 3 *41 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 4 42 Se 0.00000000000000 0.25000000000000 0.00000000000000 78.960 > 4 43 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 4 44 Se 0.00000000000000 0.75000000000000 0.00000000000000 78.960 > 4 45 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 4 46 Se 0.00000000000000 0.25000000000000 0.50000000000000 78.960 > 4 47 Se 0.00000000000000 0.50000000000000 0.50000000000000 78.960 > 4 48 Se 0.00000000000000 0.75000000000000 0.50000000000000 78.960 > 4 49 Se 0.83392186880784 0.00000000000000 0.11389213408629 78.960 > 5 50 Se 0.83392186880784 0.25000000000000 0.11389213408629 78.960 > 5 51 Se 0.83392186880784 0.50000000000000 0.11389213408629 78.960 > 5 52 Se 0.83392186880784 0.75000000000000 0.11389213408629 78.960 > 5 53 Se 0.83392186880784 0.00000000000000 0.61389213408629 78.960 > 5 54 Se 0.83392186880784 0.25000000000000 0.61389213408629 78.960 > 5 55 Se 0.83392186880784 0.50000000000000 0.61389213408629 78.960 > 5 56 Se 0.83392186880784 0.75000000000000 0.61389213408629 78.960 > 5 57 Se 0.66607813119216 0.12500000000000 0.38610786591371 78.960 > 3 58 Se 0.66607813119216 0.37500000000000 0.38610786591371 78.960 > 3 59 Se 0.66607813119216 0.62500000000000 0.38610786591371 78.960 > 3 60 Se 0.66607813119216 0.87500000000000 0.38610786591371 78.960 > 3 61 Se 0.66607813119216 0.12500000000000 0.88610786591371 78.960 > 3 62 Se 0.66607813119216 0.37500000000000 0.88610786591371 78.960 > 3 63 Se 0.66607813119216 0.62500000000000 0.88610786591371 78.960 > 3 64 Se 0.66607813119216 0.87500000000000 0.88610786591371 78.960 > 3 65 Se 0.50000000000000 0.12500000000000 0.00000000000000 78.960 > 4 66 Se 0.50000000000000 0.37500000000000 0.00000000000000 78.960 > 4 67 Se 0.50000000000000 0.62500000000000 0.00000000000000 78.960 > 4 68 Se 0.50000000000000 0.87500000000000 0.00000000000000 78.960 > 4 69 Se 0.50000000000000 0.12500000000000 0.50000000000000 78.960 > 4 70 Se 0.50000000000000 0.37500000000000 0.50000000000000 78.960 > 4 71 Se 0.50000000000000 0.62500000000000 0.50000000000000 78.960 > 4 72 Se 0.50000000000000 0.87500000000000 0.50000000000000 78.960 > 4 73 Se 0.33392186880783 0.12500000000000 0.11389213408629 78.960 > 5 74 Se 0.33392186880783 0.37500000000000 0.11389213408629 78.960 > 5 75 Se 0.33392186880783 0.62500000000000 0.11389213408629 78.960 > 5 76 Se 0.33392186880783 0.87500000000000 0.11389213408629 78.960 > 5 77 Se 0.33392186880783 0.12500000000000 0.61389213408629 78.960 > 5 78 Se 0.33392186880783 0.37500000000000 0.61389213408629 78.960 > 5 79 Se 0.33392186880783 0.62500000000000 0.61389213408629 78.960 > 5 80 Se 0.33392186880783 0.87500000000000 0.61389213408629 78.960 > 5 *81 Tb 0.05950524820731 0.12500000000000 0.42572556820487 158.925 > 6 82 Tb 0.05950524820731 0.37500000000000 0.42572556820487 158.925 > 6 83 Tb 0.05950524820731 0.62500000000000 0.42572556820487 158.925 > 6 84 Tb 0.05950524820731 0.87500000000000 0.42572556820487 158.925 > 6 85 Tb 0.05950524820731 0.12500000000000 0.92572556820487 158.925 > 6 86 Tb 0.05950524820731 0.37500000000000 0.92572556820487 158.925 > 6 87 Tb 0.05950524820731 0.62500000000000 0.92572556820487 158.925 > 6 88 Tb 0.05950524820731 0.87500000000000 0.92572556820487 158.925 > 6 89 Tb 0.94049475179269 0.12500000000000 0.07427443179513 158.925 > 7 90 Tb 0.94049475179269 0.37500000000000 0.07427443179513 158.925 > 7 91 Tb 0.94049475179269 0.62500000000000 0.07427443179513 158.925 > 7 92 Tb 0.94049475179269 0.87500000000000 0.07427443179513 158.925 > 7 93 Tb 0.94049475179269 0.12500000000000 0.57427443179513 158.925 > 7 94 Tb 0.94049475179269 0.37500000000000 0.57427443179513 158.925 > 7 95 Tb 0.94049475179269 0.62500000000000 0.57427443179513 158.925 > 7 96 Tb 0.94049475179269 0.87500000000000 0.57427443179513 158.925 > 7 *97 Tb 0.74447156697104 0.12500000000000 0.18004302107599 158.925 > 8 98 Tb 0.74447156697104 0.37500000000000 0.18004302107599 158.925 > 8 99 Tb 0.74447156697104 0.62500000000000 0.18004302107599 158.925 > 8 100 Tb 0.74447156697104 0.87500000000000 0.18004302107599 158.925 > 8 101 Tb 0.74447156697104 0.12500000000000 0.68004302107599 158.925 > 8 102 Tb 0.74447156697104 0.37500000000000 0.68004302107599 158.925 > 8 103 Tb 0.74447156697104 0.62500000000000 0.68004302107599 158.925 > 8 104 Tb 0.74447156697104 0.87500000000000 0.68004302107599 158.925 > 8 105 Tb 0.25552843302896 0.12500000000000 0.31995697892401 158.925 > 9 106 Tb 0.25552843302896 0.37500000000000 0.31995697892401 158.925 > 9 107 Tb 0.25552843302896 0.62500000000000 0.31995697892401 158.925 > 9 108 Tb 0.25552843302896 0.87500000000000 0.31995697892401 158.925 > 9 109 Tb 0.25552843302896 0.12500000000000 0.81995697892401 158.925 > 9 110 Tb 0.25552843302896 0.37500000000000 0.81995697892401 158.925 > 9 111 Tb 0.25552843302896 0.62500000000000 0.81995697892401 158.925 > 9 112 Tb 0.25552843302896 0.87500000000000 0.81995697892401 158.925 > 9 113 Tb 0.55950524820731 0.00000000000000 0.42572556820487 158.925 > 6 114 Tb 0.55950524820731 0.25000000000000 0.42572556820487 158.925 > 6 115 Tb 0.55950524820731 0.50000000000000 0.42572556820487 158.925 > 6 116 Tb 0.55950524820731 0.75000000000000 0.42572556820487 158.925 > 6 117 Tb 0.55950524820731 0.00000000000000 0.92572556820487 158.925 > 6 118 Tb 0.55950524820731 0.25000000000000 0.92572556820487 158.925 > 6 119 Tb 0.55950524820731 0.50000000000000 0.92572556820487 158.925 > 6 120 Tb 0.55950524820731 0.75000000000000 0.92572556820487 158.925 > 6 121 Tb 0.44049475179269 0.00000000000000 0.07427443179513 158.925 > 7 122 Tb 0.44049475179269 0.25000000000000 0.07427443179513 158.925 > 7 123 Tb 0.44049475179269 0.50000000000000 0.07427443179513 158.925 > 7 124 Tb 0.44049475179269 0.75000000000000 0.07427443179513 158.925 > 7 125 Tb 0.44049475179269 0.00000000000000 0.57427443179513 158.925 > 7 126 Tb 0.44049475179269 0.25000000000000 0.57427443179513 158.925 > 7 127 Tb 0.44049475179269 0.50000000000000 0.57427443179513 158.925 > 7 128 Tb 0.44049475179269 0.75000000000000 0.57427443179513 158.925 > 7 129 Tb 0.24447156697104 0.00000000000000 0.18004302107599 158.925 > 8 130 Tb 0.24447156697104 0.25000000000000 0.18004302107599 158.925 > 8 131 Tb 0.24447156697104 0.50000000000000 0.18004302107599 158.925 > 8 132 Tb 0.24447156697104 0.75000000000000 0.18004302107599 158.925 > 8 133 Tb 0.24447156697104 0.00000000000000 0.68004302107599 158.925 > 8 134 Tb 0.24447156697104 0.25000000000000 0.68004302107599 158.925 > 8 135 Tb 0.24447156697104 0.50000000000000 0.68004302107599 158.925 > 8 136 Tb 0.24447156697104 0.75000000000000 0.68004302107599 158.925 > 8 137 Tb 0.75552843302896 0.00000000000000 0.31995697892401 158.925 > 9 138 Tb 0.75552843302896 0.25000000000000 0.31995697892401 158.925 > 9 139 Tb 0.75552843302896 0.50000000000000 0.31995697892401 158.925 > 9 140 Tb 0.75552843302896 0.75000000000000 0.31995697892401 158.925 > 9 141 Tb 0.75552843302896 0.00000000000000 0.81995697892401 158.925 > 9 142 Tb 0.75552843302896 0.25000000000000 0.81995697892401 158.925 > 9 143 Tb 0.75552843302896 0.50000000000000 0.81995697892401 158.925 > 9 144 Tb 0.75552843302896 0.75000000000000 0.81995697892401 158.925 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6672816 0.0000000 -0.2024315 0.0000000 8.3916845 0.0000000 -0.2024331 0.0000000 7.1121981 -------------------------- Born effective charges -------------------------- 1 N -3.0682666 0.0000000 -0.6903166 0.0000000 -3.6255734 0.0000000 -0.6216616 0.0000000 -4.5427200 2 N -3.0682666 0.0000000 -0.6903166 0.0000000 -3.6255734 0.0000000 -0.6216616 0.0000000 -4.5427200 3 Se -2.7916749 0.0000000 0.3209249 0.0000000 -3.0864634 0.0000000 0.3676482 0.0000000 -1.6341407 4 Se -2.5430247 0.0000000 0.8712871 0.0000000 -2.9051273 0.0000000 0.5124072 0.0000000 -2.2788939 5 Se -2.7916749 0.0000000 0.3209249 0.0000000 -3.0864634 0.0000000 0.3676482 0.0000000 -1.6341407 6 Tb 4.4420043 0.0000000 0.5444259 0.0000000 3.8738937 0.0000000 0.4967048 0.0000000 2.8801558 7 Tb 4.4420043 0.0000000 0.5444259 0.0000000 3.8738937 0.0000000 0.4967048 0.0000000 2.8801558 8 Tb 2.6894496 0.0000000 -0.6106778 0.0000000 4.2907068 0.0000000 -0.4988950 0.0000000 4.4361519 9 Tb 2.6894496 0.0000000 -0.6106778 0.0000000 4.2907068 0.0000000 -0.4988950 0.0000000 4.4361519 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 7146/7146 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1640 Number of blocks in projector: 1640 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: 410 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (1640, 1616), data: False |-- (240, 240), data: True |-- (240, 240), data: True |-- (250, 245), data: True |-- (250, 245), data: True |-- (250, 245), data: True |-- (410, 401), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 3.044 Solver_block: 200 / 320 - Time: 3.045 Solver_block: 300 / 320 - Time: 3.037 Solver_block: 320 / 320 - Time: 0.735 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.925 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 7146/7146 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1640 Number of blocks in projector: 1640 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: 410 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (1640, 1616), data: False |-- (240, 240), data: True |-- (240, 240), data: True |-- (250, 245), data: True |-- (250, 245), data: True |-- (250, 245), data: True |-- (410, 401), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:43:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:43:18]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.597356235016589 -1.949554065000000 0.000000000000000 b 6.597356235016589 1.949554065000000 0.000000000000000 c -6.565868855318204 0.000000000000000 7.845791994407235 Atomic positions (fractional): 1 N 0.64908181681598 0.64908181681598 0.36133812010373 14.007 2 N 0.35091818318402 0.35091818318402 0.63866187989627 14.007 3 Se 0.16607813119216 0.16607813119216 0.77221573182742 78.960 4 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 5 Se 0.83392186880784 0.83392186880784 0.22778426817258 78.960 6 Tb 0.55950524820731 0.55950524820731 0.85145113640974 158.925 7 Tb 0.44049475179269 0.44049475179269 0.14854886359026 158.925 8 Tb 0.24447156697104 0.24447156697104 0.36008604215197 158.925 9 Tb 0.75552843302896 0.75552843302896 0.63991395784803 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.194712470033178 0.000000000000000 0.000000000000000 b 0.000000000000000 15.596432520000000 0.000000000000000 c -13.131737710636408 0.000000000000000 15.691583988814470 Atomic positions (fractional): 1 N 0.14908181681598 0.12500000000000 0.18066906005186 14.007 > 1 2 N 0.14908181681598 0.37500000000000 0.18066906005186 14.007 > 1 3 N 0.14908181681598 0.62500000000000 0.18066906005186 14.007 > 1 4 N 0.14908181681598 0.87500000000000 0.18066906005186 14.007 > 1 5 N 0.14908181681598 0.12500000000000 0.68066906005186 14.007 > 1 6 N 0.14908181681598 0.37500000000000 0.68066906005186 14.007 > 1 7 N 0.14908181681598 0.62500000000000 0.68066906005186 14.007 > 1 8 N 0.14908181681598 0.87500000000000 0.68066906005186 14.007 > 1 9 N 0.85091818318402 0.12500000000000 0.31933093994814 14.007 > 9 10 N 0.85091818318402 0.37500000000000 0.31933093994814 14.007 > 9 11 N 0.85091818318402 0.62500000000000 0.31933093994814 14.007 > 9 12 N 0.85091818318402 0.87500000000000 0.31933093994814 14.007 > 9 13 N 0.85091818318402 0.12500000000000 0.81933093994814 14.007 > 9 14 N 0.85091818318402 0.37500000000000 0.81933093994814 14.007 > 9 15 N 0.85091818318402 0.62500000000000 0.81933093994814 14.007 > 9 16 N 0.85091818318402 0.87500000000000 0.81933093994814 14.007 > 9 17 N 0.64908181681598 0.00000000000000 0.18066906005186 14.007 > 1 18 N 0.64908181681598 0.25000000000000 0.18066906005186 14.007 > 1 19 N 0.64908181681598 0.50000000000000 0.18066906005186 14.007 > 1 20 N 0.64908181681598 0.75000000000000 0.18066906005186 14.007 > 1 21 N 0.64908181681598 0.00000000000000 0.68066906005186 14.007 > 1 22 N 0.64908181681598 0.25000000000000 0.68066906005186 14.007 > 1 23 N 0.64908181681598 0.50000000000000 0.68066906005186 14.007 > 1 24 N 0.64908181681598 0.75000000000000 0.68066906005186 14.007 > 1 25 N 0.35091818318402 0.00000000000000 0.31933093994814 14.007 > 9 26 N 0.35091818318402 0.25000000000000 0.31933093994814 14.007 > 9 27 N 0.35091818318402 0.50000000000000 0.31933093994814 14.007 > 9 28 N 0.35091818318402 0.75000000000000 0.31933093994814 14.007 > 9 29 N 0.35091818318402 0.00000000000000 0.81933093994814 14.007 > 9 30 N 0.35091818318402 0.25000000000000 0.81933093994814 14.007 > 9 31 N 0.35091818318402 0.50000000000000 0.81933093994814 14.007 > 9 32 N 0.35091818318402 0.75000000000000 0.81933093994814 14.007 > 9 33 Se 0.16607813119216 0.00000000000000 0.38610786591371 78.960 > 33 34 Se 0.16607813119216 0.25000000000000 0.38610786591371 78.960 > 33 35 Se 0.16607813119216 0.50000000000000 0.38610786591371 78.960 > 33 36 Se 0.16607813119216 0.75000000000000 0.38610786591371 78.960 > 33 37 Se 0.16607813119216 0.00000000000000 0.88610786591371 78.960 > 33 38 Se 0.16607813119216 0.25000000000000 0.88610786591371 78.960 > 33 39 Se 0.16607813119216 0.50000000000000 0.88610786591371 78.960 > 33 40 Se 0.16607813119216 0.75000000000000 0.88610786591371 78.960 > 33 41 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 41 42 Se 0.00000000000000 0.25000000000000 0.00000000000000 78.960 > 41 43 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 41 44 Se 0.00000000000000 0.75000000000000 0.00000000000000 78.960 > 41 45 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 41 46 Se 0.00000000000000 0.25000000000000 0.50000000000000 78.960 > 41 47 Se 0.00000000000000 0.50000000000000 0.50000000000000 78.960 > 41 48 Se 0.00000000000000 0.75000000000000 0.50000000000000 78.960 > 41 49 Se 0.83392186880784 0.00000000000000 0.11389213408629 78.960 > 49 50 Se 0.83392186880784 0.25000000000000 0.11389213408629 78.960 > 49 51 Se 0.83392186880784 0.50000000000000 0.11389213408629 78.960 > 49 52 Se 0.83392186880784 0.75000000000000 0.11389213408629 78.960 > 49 53 Se 0.83392186880784 0.00000000000000 0.61389213408629 78.960 > 49 54 Se 0.83392186880784 0.25000000000000 0.61389213408629 78.960 > 49 55 Se 0.83392186880784 0.50000000000000 0.61389213408629 78.960 > 49 56 Se 0.83392186880784 0.75000000000000 0.61389213408629 78.960 > 49 57 Se 0.66607813119216 0.12500000000000 0.38610786591371 78.960 > 33 58 Se 0.66607813119216 0.37500000000000 0.38610786591371 78.960 > 33 59 Se 0.66607813119216 0.62500000000000 0.38610786591371 78.960 > 33 60 Se 0.66607813119216 0.87500000000000 0.38610786591371 78.960 > 33 61 Se 0.66607813119216 0.12500000000000 0.88610786591371 78.960 > 33 62 Se 0.66607813119216 0.37500000000000 0.88610786591371 78.960 > 33 63 Se 0.66607813119216 0.62500000000000 0.88610786591371 78.960 > 33 64 Se 0.66607813119216 0.87500000000000 0.88610786591371 78.960 > 33 65 Se 0.50000000000000 0.12500000000000 0.00000000000000 78.960 > 41 66 Se 0.50000000000000 0.37500000000000 0.00000000000000 78.960 > 41 67 Se 0.50000000000000 0.62500000000000 0.00000000000000 78.960 > 41 68 Se 0.50000000000000 0.87500000000000 0.00000000000000 78.960 > 41 69 Se 0.50000000000000 0.12500000000000 0.50000000000000 78.960 > 41 70 Se 0.50000000000000 0.37500000000000 0.50000000000000 78.960 > 41 71 Se 0.50000000000000 0.62500000000000 0.50000000000000 78.960 > 41 72 Se 0.50000000000000 0.87500000000000 0.50000000000000 78.960 > 41 73 Se 0.33392186880783 0.12500000000000 0.11389213408629 78.960 > 49 74 Se 0.33392186880783 0.37500000000000 0.11389213408629 78.960 > 49 75 Se 0.33392186880783 0.62500000000000 0.11389213408629 78.960 > 49 76 Se 0.33392186880783 0.87500000000000 0.11389213408629 78.960 > 49 77 Se 0.33392186880783 0.12500000000000 0.61389213408629 78.960 > 49 78 Se 0.33392186880783 0.37500000000000 0.61389213408629 78.960 > 49 79 Se 0.33392186880783 0.62500000000000 0.61389213408629 78.960 > 49 80 Se 0.33392186880783 0.87500000000000 0.61389213408629 78.960 > 49 81 Tb 0.05950524820731 0.12500000000000 0.42572556820487 158.925 > 81 82 Tb 0.05950524820731 0.37500000000000 0.42572556820487 158.925 > 81 83 Tb 0.05950524820731 0.62500000000000 0.42572556820487 158.925 > 81 84 Tb 0.05950524820731 0.87500000000000 0.42572556820487 158.925 > 81 85 Tb 0.05950524820731 0.12500000000000 0.92572556820487 158.925 > 81 86 Tb 0.05950524820731 0.37500000000000 0.92572556820487 158.925 > 81 87 Tb 0.05950524820731 0.62500000000000 0.92572556820487 158.925 > 81 88 Tb 0.05950524820731 0.87500000000000 0.92572556820487 158.925 > 81 89 Tb 0.94049475179269 0.12500000000000 0.07427443179513 158.925 > 89 90 Tb 0.94049475179269 0.37500000000000 0.07427443179513 158.925 > 89 91 Tb 0.94049475179269 0.62500000000000 0.07427443179513 158.925 > 89 92 Tb 0.94049475179269 0.87500000000000 0.07427443179513 158.925 > 89 93 Tb 0.94049475179269 0.12500000000000 0.57427443179513 158.925 > 89 94 Tb 0.94049475179269 0.37500000000000 0.57427443179513 158.925 > 89 95 Tb 0.94049475179269 0.62500000000000 0.57427443179513 158.925 > 89 96 Tb 0.94049475179269 0.87500000000000 0.57427443179513 158.925 > 89 97 Tb 0.74447156697104 0.12500000000000 0.18004302107599 158.925 > 97 98 Tb 0.74447156697104 0.37500000000000 0.18004302107599 158.925 > 97 99 Tb 0.74447156697104 0.62500000000000 0.18004302107599 158.925 > 97 100 Tb 0.74447156697104 0.87500000000000 0.18004302107599 158.925 > 97 101 Tb 0.74447156697104 0.12500000000000 0.68004302107599 158.925 > 97 102 Tb 0.74447156697104 0.37500000000000 0.68004302107599 158.925 > 97 103 Tb 0.74447156697104 0.62500000000000 0.68004302107599 158.925 > 97 104 Tb 0.74447156697104 0.87500000000000 0.68004302107599 158.925 > 97 105 Tb 0.25552843302896 0.12500000000000 0.31995697892401 158.925 > 105 106 Tb 0.25552843302896 0.37500000000000 0.31995697892401 158.925 > 105 107 Tb 0.25552843302896 0.62500000000000 0.31995697892401 158.925 > 105 108 Tb 0.25552843302896 0.87500000000000 0.31995697892401 158.925 > 105 109 Tb 0.25552843302896 0.12500000000000 0.81995697892401 158.925 > 105 110 Tb 0.25552843302896 0.37500000000000 0.81995697892401 158.925 > 105 111 Tb 0.25552843302896 0.62500000000000 0.81995697892401 158.925 > 105 112 Tb 0.25552843302896 0.87500000000000 0.81995697892401 158.925 > 105 113 Tb 0.55950524820731 0.00000000000000 0.42572556820487 158.925 > 81 114 Tb 0.55950524820731 0.25000000000000 0.42572556820487 158.925 > 81 115 Tb 0.55950524820731 0.50000000000000 0.42572556820487 158.925 > 81 116 Tb 0.55950524820731 0.75000000000000 0.42572556820487 158.925 > 81 117 Tb 0.55950524820731 0.00000000000000 0.92572556820487 158.925 > 81 118 Tb 0.55950524820731 0.25000000000000 0.92572556820487 158.925 > 81 119 Tb 0.55950524820731 0.50000000000000 0.92572556820487 158.925 > 81 120 Tb 0.55950524820731 0.75000000000000 0.92572556820487 158.925 > 81 121 Tb 0.44049475179269 0.00000000000000 0.07427443179513 158.925 > 89 122 Tb 0.44049475179269 0.25000000000000 0.07427443179513 158.925 > 89 123 Tb 0.44049475179269 0.50000000000000 0.07427443179513 158.925 > 89 124 Tb 0.44049475179269 0.75000000000000 0.07427443179513 158.925 > 89 125 Tb 0.44049475179269 0.00000000000000 0.57427443179513 158.925 > 89 126 Tb 0.44049475179269 0.25000000000000 0.57427443179513 158.925 > 89 127 Tb 0.44049475179269 0.50000000000000 0.57427443179513 158.925 > 89 128 Tb 0.44049475179269 0.75000000000000 0.57427443179513 158.925 > 89 129 Tb 0.24447156697104 0.00000000000000 0.18004302107599 158.925 > 97 130 Tb 0.24447156697104 0.25000000000000 0.18004302107599 158.925 > 97 131 Tb 0.24447156697104 0.50000000000000 0.18004302107599 158.925 > 97 132 Tb 0.24447156697104 0.75000000000000 0.18004302107599 158.925 > 97 133 Tb 0.24447156697104 0.00000000000000 0.68004302107599 158.925 > 97 134 Tb 0.24447156697104 0.25000000000000 0.68004302107599 158.925 > 97 135 Tb 0.24447156697104 0.50000000000000 0.68004302107599 158.925 > 97 136 Tb 0.24447156697104 0.75000000000000 0.68004302107599 158.925 > 97 137 Tb 0.75552843302896 0.00000000000000 0.31995697892401 158.925 > 105 138 Tb 0.75552843302896 0.25000000000000 0.31995697892401 158.925 > 105 139 Tb 0.75552843302896 0.50000000000000 0.31995697892401 158.925 > 105 140 Tb 0.75552843302896 0.75000000000000 0.31995697892401 158.925 > 105 141 Tb 0.75552843302896 0.00000000000000 0.81995697892401 158.925 > 105 142 Tb 0.75552843302896 0.25000000000000 0.81995697892401 158.925 > 105 143 Tb 0.75552843302896 0.50000000000000 0.81995697892401 158.925 > 105 144 Tb 0.75552843302896 0.75000000000000 0.81995697892401 158.925 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6672816 0.0000000 -0.2024315 0.0000000 8.3916845 0.0000000 -0.2024331 0.0000000 7.1121981 -------------------------- Born effective charges -------------------------- 1 N -3.0682666 0.0000000 -0.6903166 0.0000000 -3.6255734 0.0000000 -0.6216616 0.0000000 -4.5427200 2 N -3.0682666 0.0000000 -0.6903166 0.0000000 -3.6255734 0.0000000 -0.6216616 0.0000000 -4.5427200 3 Se -2.7916749 0.0000000 0.3209249 0.0000000 -3.0864634 0.0000000 0.3676482 0.0000000 -1.6341407 4 Se -2.5430247 0.0000000 0.8712871 0.0000000 -2.9051273 0.0000000 0.5124072 0.0000000 -2.2788939 5 Se -2.7916749 0.0000000 0.3209249 0.0000000 -3.0864634 0.0000000 0.3676482 0.0000000 -1.6341407 6 Tb 4.4420043 0.0000000 0.5444259 0.0000000 3.8738937 0.0000000 0.4967048 0.0000000 2.8801558 7 Tb 4.4420043 0.0000000 0.5444259 0.0000000 3.8738937 0.0000000 0.4967048 0.0000000 2.8801558 8 Tb 2.6894496 0.0000000 -0.6106778 0.0000000 4.2907068 0.0000000 -0.4988950 0.0000000 4.4361519 9 Tb 2.6894496 0.0000000 -0.6106778 0.0000000 4.2907068 0.0000000 -0.4988950 0.0000000 4.4361519 ---------------------------------------------------------------------------- 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 41, 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 81, 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:43:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:43:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 4 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.597356235016589 -1.949554065000000 0.000000000000000 b 6.597356235016589 1.949554065000000 0.000000000000000 c -6.565868855318204 0.000000000000000 7.845791994407235 Atomic positions (fractional): 1 N 0.64908181681598 0.64908181681598 0.36133812010373 14.007 2 N 0.35091818318402 0.35091818318402 0.63866187989627 14.007 3 Se 0.16607813119216 0.16607813119216 0.77221573182742 78.960 4 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 5 Se 0.83392186880784 0.83392186880784 0.22778426817258 78.960 6 Tb 0.55950524820731 0.55950524820731 0.85145113640974 158.925 7 Tb 0.44049475179269 0.44049475179269 0.14854886359026 158.925 8 Tb 0.24447156697104 0.24447156697104 0.36008604215197 158.925 9 Tb 0.75552843302896 0.75552843302896 0.63991395784803 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.194712470033178 0.000000000000000 0.000000000000000 b 0.000000000000000 15.596432520000000 0.000000000000000 c -13.131737710636408 0.000000000000000 15.691583988814470 Atomic positions (fractional): 1 N 0.14908181681598 0.12500000000000 0.18066906005186 14.007 > 1 2 N 0.14908181681598 0.37500000000000 0.18066906005186 14.007 > 1 3 N 0.14908181681598 0.62500000000000 0.18066906005186 14.007 > 1 4 N 0.14908181681598 0.87500000000000 0.18066906005186 14.007 > 1 5 N 0.14908181681598 0.12500000000000 0.68066906005186 14.007 > 1 6 N 0.14908181681598 0.37500000000000 0.68066906005186 14.007 > 1 7 N 0.14908181681598 0.62500000000000 0.68066906005186 14.007 > 1 8 N 0.14908181681598 0.87500000000000 0.68066906005186 14.007 > 1 9 N 0.85091818318402 0.12500000000000 0.31933093994814 14.007 > 9 10 N 0.85091818318402 0.37500000000000 0.31933093994814 14.007 > 9 11 N 0.85091818318402 0.62500000000000 0.31933093994814 14.007 > 9 12 N 0.85091818318402 0.87500000000000 0.31933093994814 14.007 > 9 13 N 0.85091818318402 0.12500000000000 0.81933093994814 14.007 > 9 14 N 0.85091818318402 0.37500000000000 0.81933093994814 14.007 > 9 15 N 0.85091818318402 0.62500000000000 0.81933093994814 14.007 > 9 16 N 0.85091818318402 0.87500000000000 0.81933093994814 14.007 > 9 17 N 0.64908181681598 0.00000000000000 0.18066906005186 14.007 > 1 18 N 0.64908181681598 0.25000000000000 0.18066906005186 14.007 > 1 19 N 0.64908181681598 0.50000000000000 0.18066906005186 14.007 > 1 20 N 0.64908181681598 0.75000000000000 0.18066906005186 14.007 > 1 21 N 0.64908181681598 0.00000000000000 0.68066906005186 14.007 > 1 22 N 0.64908181681598 0.25000000000000 0.68066906005186 14.007 > 1 23 N 0.64908181681598 0.50000000000000 0.68066906005186 14.007 > 1 24 N 0.64908181681598 0.75000000000000 0.68066906005186 14.007 > 1 25 N 0.35091818318402 0.00000000000000 0.31933093994814 14.007 > 9 26 N 0.35091818318402 0.25000000000000 0.31933093994814 14.007 > 9 27 N 0.35091818318402 0.50000000000000 0.31933093994814 14.007 > 9 28 N 0.35091818318402 0.75000000000000 0.31933093994814 14.007 > 9 29 N 0.35091818318402 0.00000000000000 0.81933093994814 14.007 > 9 30 N 0.35091818318402 0.25000000000000 0.81933093994814 14.007 > 9 31 N 0.35091818318402 0.50000000000000 0.81933093994814 14.007 > 9 32 N 0.35091818318402 0.75000000000000 0.81933093994814 14.007 > 9 33 Se 0.16607813119216 0.00000000000000 0.38610786591371 78.960 > 33 34 Se 0.16607813119216 0.25000000000000 0.38610786591371 78.960 > 33 35 Se 0.16607813119216 0.50000000000000 0.38610786591371 78.960 > 33 36 Se 0.16607813119216 0.75000000000000 0.38610786591371 78.960 > 33 37 Se 0.16607813119216 0.00000000000000 0.88610786591371 78.960 > 33 38 Se 0.16607813119216 0.25000000000000 0.88610786591371 78.960 > 33 39 Se 0.16607813119216 0.50000000000000 0.88610786591371 78.960 > 33 40 Se 0.16607813119216 0.75000000000000 0.88610786591371 78.960 > 33 41 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 41 42 Se 0.00000000000000 0.25000000000000 0.00000000000000 78.960 > 41 43 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 41 44 Se 0.00000000000000 0.75000000000000 0.00000000000000 78.960 > 41 45 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 41 46 Se 0.00000000000000 0.25000000000000 0.50000000000000 78.960 > 41 47 Se 0.00000000000000 0.50000000000000 0.50000000000000 78.960 > 41 48 Se 0.00000000000000 0.75000000000000 0.50000000000000 78.960 > 41 49 Se 0.83392186880784 0.00000000000000 0.11389213408629 78.960 > 49 50 Se 0.83392186880784 0.25000000000000 0.11389213408629 78.960 > 49 51 Se 0.83392186880784 0.50000000000000 0.11389213408629 78.960 > 49 52 Se 0.83392186880784 0.75000000000000 0.11389213408629 78.960 > 49 53 Se 0.83392186880784 0.00000000000000 0.61389213408629 78.960 > 49 54 Se 0.83392186880784 0.25000000000000 0.61389213408629 78.960 > 49 55 Se 0.83392186880784 0.50000000000000 0.61389213408629 78.960 > 49 56 Se 0.83392186880784 0.75000000000000 0.61389213408629 78.960 > 49 57 Se 0.66607813119216 0.12500000000000 0.38610786591371 78.960 > 33 58 Se 0.66607813119216 0.37500000000000 0.38610786591371 78.960 > 33 59 Se 0.66607813119216 0.62500000000000 0.38610786591371 78.960 > 33 60 Se 0.66607813119216 0.87500000000000 0.38610786591371 78.960 > 33 61 Se 0.66607813119216 0.12500000000000 0.88610786591371 78.960 > 33 62 Se 0.66607813119216 0.37500000000000 0.88610786591371 78.960 > 33 63 Se 0.66607813119216 0.62500000000000 0.88610786591371 78.960 > 33 64 Se 0.66607813119216 0.87500000000000 0.88610786591371 78.960 > 33 65 Se 0.50000000000000 0.12500000000000 0.00000000000000 78.960 > 41 66 Se 0.50000000000000 0.37500000000000 0.00000000000000 78.960 > 41 67 Se 0.50000000000000 0.62500000000000 0.00000000000000 78.960 > 41 68 Se 0.50000000000000 0.87500000000000 0.00000000000000 78.960 > 41 69 Se 0.50000000000000 0.12500000000000 0.50000000000000 78.960 > 41 70 Se 0.50000000000000 0.37500000000000 0.50000000000000 78.960 > 41 71 Se 0.50000000000000 0.62500000000000 0.50000000000000 78.960 > 41 72 Se 0.50000000000000 0.87500000000000 0.50000000000000 78.960 > 41 73 Se 0.33392186880783 0.12500000000000 0.11389213408629 78.960 > 49 74 Se 0.33392186880783 0.37500000000000 0.11389213408629 78.960 > 49 75 Se 0.33392186880783 0.62500000000000 0.11389213408629 78.960 > 49 76 Se 0.33392186880783 0.87500000000000 0.11389213408629 78.960 > 49 77 Se 0.33392186880783 0.12500000000000 0.61389213408629 78.960 > 49 78 Se 0.33392186880783 0.37500000000000 0.61389213408629 78.960 > 49 79 Se 0.33392186880783 0.62500000000000 0.61389213408629 78.960 > 49 80 Se 0.33392186880783 0.87500000000000 0.61389213408629 78.960 > 49 81 Tb 0.05950524820731 0.12500000000000 0.42572556820487 158.925 > 81 82 Tb 0.05950524820731 0.37500000000000 0.42572556820487 158.925 > 81 83 Tb 0.05950524820731 0.62500000000000 0.42572556820487 158.925 > 81 84 Tb 0.05950524820731 0.87500000000000 0.42572556820487 158.925 > 81 85 Tb 0.05950524820731 0.12500000000000 0.92572556820487 158.925 > 81 86 Tb 0.05950524820731 0.37500000000000 0.92572556820487 158.925 > 81 87 Tb 0.05950524820731 0.62500000000000 0.92572556820487 158.925 > 81 88 Tb 0.05950524820731 0.87500000000000 0.92572556820487 158.925 > 81 89 Tb 0.94049475179269 0.12500000000000 0.07427443179513 158.925 > 89 90 Tb 0.94049475179269 0.37500000000000 0.07427443179513 158.925 > 89 91 Tb 0.94049475179269 0.62500000000000 0.07427443179513 158.925 > 89 92 Tb 0.94049475179269 0.87500000000000 0.07427443179513 158.925 > 89 93 Tb 0.94049475179269 0.12500000000000 0.57427443179513 158.925 > 89 94 Tb 0.94049475179269 0.37500000000000 0.57427443179513 158.925 > 89 95 Tb 0.94049475179269 0.62500000000000 0.57427443179513 158.925 > 89 96 Tb 0.94049475179269 0.87500000000000 0.57427443179513 158.925 > 89 97 Tb 0.74447156697104 0.12500000000000 0.18004302107599 158.925 > 97 98 Tb 0.74447156697104 0.37500000000000 0.18004302107599 158.925 > 97 99 Tb 0.74447156697104 0.62500000000000 0.18004302107599 158.925 > 97 100 Tb 0.74447156697104 0.87500000000000 0.18004302107599 158.925 > 97 101 Tb 0.74447156697104 0.12500000000000 0.68004302107599 158.925 > 97 102 Tb 0.74447156697104 0.37500000000000 0.68004302107599 158.925 > 97 103 Tb 0.74447156697104 0.62500000000000 0.68004302107599 158.925 > 97 104 Tb 0.74447156697104 0.87500000000000 0.68004302107599 158.925 > 97 105 Tb 0.25552843302896 0.12500000000000 0.31995697892401 158.925 > 105 106 Tb 0.25552843302896 0.37500000000000 0.31995697892401 158.925 > 105 107 Tb 0.25552843302896 0.62500000000000 0.31995697892401 158.925 > 105 108 Tb 0.25552843302896 0.87500000000000 0.31995697892401 158.925 > 105 109 Tb 0.25552843302896 0.12500000000000 0.81995697892401 158.925 > 105 110 Tb 0.25552843302896 0.37500000000000 0.81995697892401 158.925 > 105 111 Tb 0.25552843302896 0.62500000000000 0.81995697892401 158.925 > 105 112 Tb 0.25552843302896 0.87500000000000 0.81995697892401 158.925 > 105 113 Tb 0.55950524820731 0.00000000000000 0.42572556820487 158.925 > 81 114 Tb 0.55950524820731 0.25000000000000 0.42572556820487 158.925 > 81 115 Tb 0.55950524820731 0.50000000000000 0.42572556820487 158.925 > 81 116 Tb 0.55950524820731 0.75000000000000 0.42572556820487 158.925 > 81 117 Tb 0.55950524820731 0.00000000000000 0.92572556820487 158.925 > 81 118 Tb 0.55950524820731 0.25000000000000 0.92572556820487 158.925 > 81 119 Tb 0.55950524820731 0.50000000000000 0.92572556820487 158.925 > 81 120 Tb 0.55950524820731 0.75000000000000 0.92572556820487 158.925 > 81 121 Tb 0.44049475179269 0.00000000000000 0.07427443179513 158.925 > 89 122 Tb 0.44049475179269 0.25000000000000 0.07427443179513 158.925 > 89 123 Tb 0.44049475179269 0.50000000000000 0.07427443179513 158.925 > 89 124 Tb 0.44049475179269 0.75000000000000 0.07427443179513 158.925 > 89 125 Tb 0.44049475179269 0.00000000000000 0.57427443179513 158.925 > 89 126 Tb 0.44049475179269 0.25000000000000 0.57427443179513 158.925 > 89 127 Tb 0.44049475179269 0.50000000000000 0.57427443179513 158.925 > 89 128 Tb 0.44049475179269 0.75000000000000 0.57427443179513 158.925 > 89 129 Tb 0.24447156697104 0.00000000000000 0.18004302107599 158.925 > 97 130 Tb 0.24447156697104 0.25000000000000 0.18004302107599 158.925 > 97 131 Tb 0.24447156697104 0.50000000000000 0.18004302107599 158.925 > 97 132 Tb 0.24447156697104 0.75000000000000 0.18004302107599 158.925 > 97 133 Tb 0.24447156697104 0.00000000000000 0.68004302107599 158.925 > 97 134 Tb 0.24447156697104 0.25000000000000 0.68004302107599 158.925 > 97 135 Tb 0.24447156697104 0.50000000000000 0.68004302107599 158.925 > 97 136 Tb 0.24447156697104 0.75000000000000 0.68004302107599 158.925 > 97 137 Tb 0.75552843302896 0.00000000000000 0.31995697892401 158.925 > 105 138 Tb 0.75552843302896 0.25000000000000 0.31995697892401 158.925 > 105 139 Tb 0.75552843302896 0.50000000000000 0.31995697892401 158.925 > 105 140 Tb 0.75552843302896 0.75000000000000 0.31995697892401 158.925 > 105 141 Tb 0.75552843302896 0.00000000000000 0.81995697892401 158.925 > 105 142 Tb 0.75552843302896 0.25000000000000 0.81995697892401 158.925 > 105 143 Tb 0.75552843302896 0.50000000000000 0.81995697892401 158.925 > 105 144 Tb 0.75552843302896 0.75000000000000 0.81995697892401 158.925 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6672816 0.0000000 -0.2024315 0.0000000 8.3916845 0.0000000 -0.2024331 0.0000000 7.1121981 -------------------------- Born effective charges -------------------------- 1 N -3.0682666 0.0000000 -0.6903166 0.0000000 -3.6255734 0.0000000 -0.6216616 0.0000000 -4.5427200 2 N -3.0682666 0.0000000 -0.6903166 0.0000000 -3.6255734 0.0000000 -0.6216616 0.0000000 -4.5427200 3 Se -2.7916749 0.0000000 0.3209249 0.0000000 -3.0864634 0.0000000 0.3676482 0.0000000 -1.6341407 4 Se -2.5430247 0.0000000 0.8712871 0.0000000 -2.9051273 0.0000000 0.5124072 0.0000000 -2.2788939 5 Se -2.7916749 0.0000000 0.3209249 0.0000000 -3.0864634 0.0000000 0.3676482 0.0000000 -1.6341407 6 Tb 4.4420043 0.0000000 0.5444259 0.0000000 3.8738937 0.0000000 0.4967048 0.0000000 2.8801558 7 Tb 4.4420043 0.0000000 0.5444259 0.0000000 3.8738937 0.0000000 0.4967048 0.0000000 2.8801558 8 Tb 2.6894496 0.0000000 -0.6106778 0.0000000 4.2907068 0.0000000 -0.4988950 0.0000000 4.4361519 9 Tb 2.6894496 0.0000000 -0.6106778 0.0000000 4.2907068 0.0000000 -0.4988950 0.0000000 4.4361519 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 14 14 6 ] 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: 0.71, Number of G-points: 293, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/324) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 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 2.145 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.674 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 10.470 ( 0.000 0.000 0.000) 0.000 11.974 ( 0.000 0.000 0.000) 0.000 12.347 ( 0.000 0.000 0.000) 0.000 14.074 ( 0.000 0.000 0.000) 0.000 17.038 ( 0.000 0.000 0.000) 0.000 19.307 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/324) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 5.393 -20.646 8.062) 22.811 0.578 ( 3.032 -28.217 7.111) 29.257 0.894 ( 11.525 -43.607 3.110) 45.211 2.141 ( 3.365 4.463 3.865) 6.796 2.234 ( 0.951 -3.315 0.862) 3.555 2.384 ( 1.224 -3.911 -3.071) 5.121 2.581 ( -2.425 -2.984 2.680) 4.687 2.839 ( -0.652 -0.119 -1.277) 1.439 3.106 ( -3.744 -3.167 0.810) 4.971 3.317 ( 2.683 1.737 1.984) 3.762 3.619 ( -0.531 -6.894 -0.066) 6.914 4.234 ( 0.781 4.476 -8.567) 9.697 4.357 ( -0.979 3.109 7.351) 8.041 4.656 ( -0.252 -4.956 -0.194) 4.966 4.720 ( -0.119 -5.435 -0.384) 5.450 5.069 ( -1.856 -2.480 -2.210) 3.805 5.288 ( -15.722 -2.237 7.922) 17.747 5.538 ( 8.175 -3.732 -23.749) 25.392 5.626 ( -3.964 4.154 4.327) 7.190 5.664 ( 3.311 2.544 -2.490) 4.861 5.787 ( 6.223 3.508 3.072) 7.776 11.935 ( -0.410 3.741 -1.492) 4.048 12.338 ( -6.926 -1.376 -0.724) 7.099 12.619 ( -69.852 -43.753 -60.132) 102.027 14.140 ( 35.758 8.715 -17.354) 40.691 17.431 ( 28.010 30.407 97.344) 105.759 19.275 ( 0.568 3.477 -0.736) 3.600 ======================= Grid point 2 (3/324) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 4.122 -19.419 6.882) 21.011 1.119 ( 0.977 -26.207 5.891) 26.878 1.731 ( 10.133 -39.428 1.558) 40.740 2.106 ( 0.973 1.194 0.293) 1.568 2.324 ( 1.566 -5.693 -1.886) 6.198 2.460 ( 0.501 -4.630 -0.732) 4.714 2.625 ( -3.502 -2.050 1.803) 4.440 2.835 ( -1.608 -1.602 -3.506) 4.177 3.184 ( -2.887 -6.590 1.254) 7.303 3.310 ( 0.934 1.596 4.720) 5.070 3.783 ( -1.681 -10.833 0.847) 10.995 4.084 ( -1.141 6.619 -10.740) 12.667 4.321 ( 0.986 4.540 7.962) 9.218 4.768 ( 0.076 -7.195 -0.765) 7.235 4.818 ( 0.180 -4.663 -0.909) 4.754 5.122 ( -2.354 -5.999 -3.200) 7.195 5.270 ( -2.378 1.226 1.789) 3.218 5.520 ( -1.221 2.250 -2.123) 3.325 5.538 ( -3.513 3.852 0.667) 5.256 5.630 ( 1.621 -0.323 -6.785) 6.984 5.760 ( 4.674 3.734 2.820) 6.614 11.825 ( -1.149 6.424 -2.552) 7.008 12.319 ( -4.768 -0.314 -0.692) 4.829 12.809 ( -28.443 -27.148 -29.270) 49.018 14.074 ( 17.210 8.535 -5.269) 19.920 17.487 ( 10.658 10.093 45.012) 47.345 19.182 ( 0.710 6.452 -1.021) 6.571 ======================= Grid point 3 (4/324) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 3.113 -17.398 5.881) 18.627 1.585 ( -1.622 -21.587 3.996) 22.013 2.107 ( -0.329 -2.770 -1.353) 3.100 2.373 ( 1.344 -15.147 -7.387) 16.905 2.503 ( 2.449 -21.886 4.180) 22.416 2.536 ( 2.086 -3.597 -2.080) 4.649 2.644 ( -2.668 -1.510 3.156) 4.400 2.865 ( -2.237 -5.033 -2.404) 6.010 3.270 ( -6.012 -1.893 5.026) 8.062 3.349 ( 4.871 -4.221 1.258) 6.567 3.898 ( -2.211 5.666 -10.995) 12.565 3.983 ( -1.301 -8.850 3.730) 9.692 4.276 ( 3.616 4.975 6.210) 8.740 4.873 ( 0.260 -2.476 -1.845) 3.098 4.904 ( 0.509 -7.313 -0.934) 7.390 5.210 ( -1.433 -4.229 -2.757) 5.248 5.243 ( 0.205 0.395 -2.295) 2.338 5.444 ( -0.090 3.711 2.755) 4.623 5.473 ( -2.748 1.039 -2.279) 3.719 5.606 ( -0.099 2.586 0.595) 2.656 5.750 ( -0.349 -0.819 0.331) 0.950 11.679 ( -1.603 6.859 -2.623) 7.517 12.284 ( -0.983 2.269 -0.654) 2.558 13.006 ( -15.971 -18.965 -20.645) 32.264 13.972 ( 9.925 8.728 -1.649) 13.319 17.585 ( 4.516 1.402 26.395) 26.815 19.041 ( 0.354 8.664 -0.704) 8.700 ======================= Grid point 4 (5/324) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 3.108 -13.942 6.031) 15.505 1.878 ( -4.673 -10.449 -0.915) 11.482 2.204 ( -3.439 -9.120 1.929) 9.936 2.498 ( -1.854 -7.620 -8.728) 11.734 2.542 ( 2.143 0.284 -3.614) 4.211 2.713 ( 1.293 -3.858 6.990) 8.089 2.786 ( -12.774 -5.423 -4.423) 14.565 3.059 ( 0.927 -11.481 5.020) 12.564 3.321 ( -3.956 -6.908 2.318) 8.291 3.485 ( 8.954 -6.890 0.178) 11.299 3.769 ( 2.225 2.208 -8.940) 9.474 4.080 ( 1.049 2.616 7.745) 8.242 4.282 ( 2.805 -2.828 2.358) 4.629 4.905 ( 0.140 -2.276 -2.398) 3.309 5.028 ( 0.955 -5.739 -0.160) 5.820 5.205 ( 0.362 2.774 -2.841) 3.987 5.222 ( 1.801 0.355 -2.404) 3.024 5.450 ( -2.545 -1.630 -1.964) 3.605 5.459 ( -2.110 -3.104 2.041) 4.273 5.556 ( -1.422 2.417 2.214) 3.573 5.769 ( -2.423 -1.097 0.928) 2.817 11.554 ( -1.202 4.279 -1.751) 4.777 12.213 ( 2.156 5.645 -0.488) 6.063 13.125 ( -10.624 -11.536 -18.445) 24.211 13.851 ( 5.013 8.500 0.321) 9.873 17.721 ( 1.848 -3.716 16.313) 16.833 18.867 ( -0.272 10.112 -0.024) 10.116 ======================= Grid point 5 (6/324) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 1.943 -5.618 5.706) 8.240 1.976 ( -4.606 -7.562 -2.655) 9.244 2.338 ( -4.960 -4.863 1.492) 7.105 2.483 ( -2.015 3.138 -3.907) 5.401 2.620 ( -1.820 -7.864 -3.664) 8.864 2.700 ( -12.176 -0.142 -1.882) 12.321 2.899 ( 3.803 -10.152 3.004) 11.249 3.189 ( -0.055 -3.547 0.610) 3.600 3.411 ( -4.562 -3.954 -0.633) 6.070 3.660 ( 9.624 -3.355 -3.827) 10.886 3.771 ( 0.409 -0.377 2.750) 2.805 4.073 ( 6.794 -0.500 5.415) 8.703 4.365 ( 0.647 -2.719 1.623) 3.232 4.934 ( 1.064 -1.278 -2.470) 2.977 5.102 ( 2.532 -0.324 1.629) 3.028 5.168 ( -0.996 -2.869 -2.334) 3.830 5.240 ( 2.362 -1.705 -1.822) 3.436 5.461 ( -0.613 -1.567 -1.708) 2.398 5.515 ( -5.257 -3.273 1.907) 6.480 5.532 ( -0.831 0.201 -0.437) 0.960 5.758 ( -3.096 1.546 2.095) 4.045 11.511 ( -0.232 -0.792 -0.336) 0.890 12.096 ( 3.461 8.508 -0.627) 9.206 13.164 ( -6.495 -7.250 -16.675) 19.308 13.712 ( 0.739 9.256 2.035) 9.506 17.885 ( 0.921 -6.866 9.591) 11.831 18.672 ( -0.861 10.814 0.508) 10.860 ======================= Grid point 6 (7/324) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -2.178 -0.404 0.219) 2.226 2.110 ( 1.610 -5.204 3.938) 6.721 2.337 ( -8.034 2.201 0.678) 8.357 2.375 ( -2.420 1.381 -4.702) 5.466 2.684 ( -2.930 -2.134 -1.197) 3.817 2.732 ( -1.316 -6.154 -2.459) 6.757 3.122 ( 3.010 -8.788 3.312) 9.862 3.230 ( 0.851 -1.373 -1.756) 2.386 3.434 ( -3.699 -2.364 -1.844) 4.762 3.702 ( -0.415 6.896 3.790) 7.880 3.731 ( 5.685 -1.898 -2.122) 6.358 4.185 ( 3.274 -2.517 4.007) 5.754 4.397 ( 0.175 -0.326 0.630) 0.731 4.945 ( 1.730 -0.732 -1.438) 2.366 5.130 ( 1.463 -1.400 0.369) 2.059 5.249 ( 1.026 -4.850 0.128) 4.959 5.283 ( 1.549 -2.594 -0.942) 3.165 5.474 ( 0.064 -0.546 -2.992) 3.042 5.521 ( -0.369 0.378 -0.711) 0.885 5.541 ( -4.185 -1.772 1.104) 4.677 5.701 ( -3.164 3.445 2.529) 5.317 11.576 ( 0.136 -5.716 0.926) 5.792 11.940 ( 2.706 9.508 -1.155) 9.953 13.200 ( -1.985 -6.899 -12.107) 14.076 13.541 ( -1.980 9.840 3.588) 10.659 18.066 ( 0.884 -8.709 4.697) 9.934 18.470 ( -1.160 10.652 0.253) 10.718 ======================= Grid point 7 (8/324) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.000 -0.000 0.000) 0.000 2.176 ( 0.000 -0.000 -0.000) 0.000 2.276 ( 0.000 -0.000 0.000) 0.000 2.354 ( 0.000 -0.000 0.000) 0.000 2.697 ( 0.000 -0.000 0.000) 0.000 2.784 ( 0.000 -0.000 -0.000) 0.000 3.222 ( 0.000 -0.000 0.000) 0.000 3.242 ( 0.000 -0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 -0.000 0.000) 0.000 3.768 ( 0.000 -0.000 -0.000) 0.000 4.217 ( 0.000 -0.000 0.000) 0.000 4.400 ( 0.000 -0.000 0.000) 0.000 4.959 ( -0.000 -0.000 0.000) 0.000 5.153 ( 0.000 -0.000 0.000) 0.000 5.290 ( -0.000 0.000 -0.000) 0.000 5.346 ( 0.000 -0.000 -0.000) 0.000 5.451 ( 0.000 -0.000 0.000) 0.000 5.517 ( 0.000 -0.000 0.000) 0.000 5.548 ( 0.000 -0.000 0.000) 0.000 5.657 ( 0.000 -0.000 0.000) 0.000 11.674 ( -0.000 -0.000 0.000) 0.000 11.816 ( 0.000 -0.000 0.000) 0.000 13.259 ( 0.000 -0.000 0.000) 0.000 13.420 ( 0.000 -0.000 -0.000) 0.000 18.224 ( -0.000 0.000 -0.000) 0.000 18.304 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/324) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 22.264 -0.000 10.764) 24.730 0.400 ( 19.543 -0.000 19.698) 27.748 0.513 ( 29.432 -0.000 20.324) 35.767 2.201 ( 4.493 -0.000 -4.358) 6.259 2.327 ( 3.264 -0.000 -7.704) 8.367 2.435 ( -18.888 0.000 14.444) 23.778 2.503 ( -4.194 0.000 6.343) 7.605 2.842 ( 2.028 -0.000 -2.869) 3.513 3.084 ( -13.125 0.000 0.116) 13.126 3.429 ( 10.020 -0.000 3.770) 10.706 3.545 ( -1.561 0.000 -0.159) 1.569 4.294 ( -1.522 0.000 -10.401) 10.512 4.445 ( -4.655 0.000 9.779) 10.830 4.579 ( 0.420 -0.000 -0.183) 0.458 4.640 ( -2.923 0.000 0.077) 2.924 4.724 ( 3.129 -0.000 0.176) 3.133 5.073 ( -3.869 0.000 -0.029) 3.869 5.473 ( 24.298 -0.000 -28.493) 37.447 5.647 ( -8.045 0.000 -2.971) 8.576 5.703 ( 7.083 -0.000 -6.869) 9.867 5.937 ( 12.632 -0.000 1.168) 12.686 10.479 ( 0.073 -0.000 1.951) 1.952 11.961 ( 0.316 -0.000 -3.030) 3.047 12.340 ( -0.419 0.000 -1.171) 1.244 14.322 ( 34.395 -0.000 -32.683) 47.447 19.191 ( -45.732 0.000 35.296) 57.769 19.481 ( -56.562 0.000 78.044) 96.386 ======================= Grid point 17 (10/324) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 12.294 -14.346 11.074) 21.899 0.768 ( 9.564 -17.103 17.256) 26.110 1.141 ( 22.229 -33.396 7.459) 40.805 2.189 ( 5.444 4.324 -4.784) 8.440 2.262 ( -3.480 1.991 4.646) 6.137 2.366 ( 3.330 -5.174 -5.681) 8.374 2.562 ( -7.121 -2.698 4.251) 8.721 2.816 ( 0.098 1.280 -2.465) 2.780 3.047 ( -10.132 -5.020 3.761) 11.917 3.403 ( 5.367 4.748 5.687) 9.148 3.607 ( -0.917 -6.966 -0.376) 7.037 4.145 ( 0.187 5.756 -11.545) 12.902 4.416 ( -1.820 2.411 8.027) 8.576 4.647 ( -0.851 -5.186 -0.422) 5.272 4.711 ( -0.263 -5.667 -1.030) 5.766 4.995 ( -4.830 -6.837 -4.867) 9.684 5.156 ( -13.665 -12.254 3.387) 18.664 5.473 ( 9.731 -0.463 -13.969) 17.031 5.559 ( -6.607 2.281 -3.917) 8.012 5.681 ( 5.944 3.804 -3.050) 7.688 5.921 ( 9.500 6.885 4.478) 12.558 11.482 ( -38.286 -66.021 -31.049) 82.393 11.917 ( 0.983 2.458 -4.590) 5.299 12.350 ( 0.407 -2.424 -2.382) 3.423 14.297 ( 21.955 7.009 -12.353) 26.148 18.397 ( -11.208 53.707 71.705) 90.286 19.301 ( 3.994 6.804 3.825) 8.768 ======================= Grid point 18 (11/324) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 7.014 -15.363 10.569) 19.923 1.219 ( 3.874 -20.389 10.061) 23.064 1.886 ( 13.993 -32.695 2.166) 35.629 2.119 ( 1.586 2.915 -0.276) 3.330 2.285 ( -1.681 -5.305 -6.940) 8.896 2.473 ( 2.941 -5.592 -2.099) 6.658 2.589 ( -6.032 -3.234 3.063) 7.498 2.787 ( -1.521 -0.459 -2.839) 3.253 3.159 ( -5.102 -8.314 2.592) 10.094 3.380 ( 1.198 2.681 8.117) 8.632 3.758 ( -3.546 -9.776 -0.333) 10.404 3.985 ( 0.842 5.545 -9.970) 11.440 4.394 ( -0.194 3.206 6.960) 7.666 4.760 ( 0.044 -7.355 -1.283) 7.466 4.809 ( 0.440 -4.641 -1.736) 4.974 5.055 ( -2.902 -6.451 -4.467) 8.366 5.255 ( -3.970 -2.141 2.577) 5.195 5.460 ( -5.270 1.090 -2.025) 5.750 5.495 ( -0.446 -1.428 -5.806) 5.995 5.615 ( 3.631 3.827 -2.644) 5.901 5.846 ( 5.483 7.396 3.524) 9.859 11.769 ( -4.585 3.638 -4.399) 7.322 12.103 ( -18.573 -26.000 -16.788) 36.094 12.444 ( -2.374 -12.903 -9.517) 16.207 14.202 ( 14.434 9.914 -4.017) 17.965 17.960 ( -1.813 22.356 40.971) 46.709 19.200 ( 3.408 8.007 1.275) 8.795 ======================= Grid point 19 (12/324) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 4.339 -15.045 9.211) 18.166 1.617 ( -0.066 -16.964 5.413) 17.807 2.103 ( -1.037 -1.196 1.797) 2.395 2.287 ( -1.629 -8.808 -10.542) 13.834 2.491 ( -3.444 -15.768 -3.583) 16.533 2.546 ( 4.219 -2.810 -4.272) 6.629 2.675 ( -0.824 -5.700 5.523) 7.979 2.852 ( 0.795 -10.580 1.818) 10.765 3.236 ( -6.891 -2.111 2.813) 7.737 3.434 ( 5.002 -3.668 5.484) 8.279 3.782 ( -1.036 2.237 -10.011) 10.310 4.010 ( -0.324 -8.751 3.844) 9.563 4.358 ( 1.964 4.160 5.350) 7.056 4.855 ( 0.558 -2.277 -3.025) 3.827 4.900 ( 0.880 -7.644 -1.600) 7.859 5.155 ( -1.955 -6.473 -3.519) 7.622 5.247 ( 1.640 1.793 -0.361) 2.457 5.408 ( -3.721 0.011 -3.223) 4.923 5.462 ( -0.826 3.168 1.265) 3.510 5.597 ( -1.867 -0.444 0.110) 1.922 5.764 ( 0.757 3.746 1.997) 4.312 11.638 ( -1.375 6.056 -2.337) 6.636 12.244 ( -3.221 -4.055 -4.174) 6.651 12.674 ( -10.268 -19.602 -18.155) 28.623 14.063 ( 9.153 10.635 -1.354) 14.096 17.837 ( -2.201 7.110 23.608) 24.754 19.057 ( 2.409 9.948 1.442) 10.336 ======================= Grid point 20 (13/324) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 2.893 -13.956 8.397) 16.542 1.830 ( -2.917 -5.385 0.710) 6.166 2.196 ( -3.707 -7.999 3.948) 9.660 2.384 ( -1.975 -8.973 -10.445) 13.911 2.516 ( 1.100 0.100 -5.598) 5.705 2.615 ( -12.884 -2.075 -1.838) 13.179 2.786 ( 1.276 -5.974 4.714) 7.716 3.092 ( -1.661 -7.683 2.929) 8.388 3.290 ( -3.528 -6.478 0.237) 7.380 3.597 ( 9.083 -7.522 1.213) 11.855 3.728 ( 3.765 -1.322 -6.006) 7.211 4.159 ( 0.911 -2.208 7.212) 7.597 4.336 ( 2.545 0.214 2.852) 3.829 4.885 ( 1.080 -2.557 -3.117) 4.173 5.034 ( 1.245 -6.848 -1.105) 7.048 5.178 ( 0.442 1.934 -2.714) 3.361 5.236 ( 2.589 0.240 -1.034) 2.798 5.396 ( -3.710 -2.338 -2.224) 4.917 5.441 ( -3.185 -1.760 0.451) 3.667 5.562 ( -1.492 2.892 2.497) 4.102 5.751 ( -3.042 -0.918 1.646) 3.579 11.536 ( 0.005 3.520 -0.569) 3.566 12.230 ( 2.297 3.723 -1.293) 4.562 12.843 ( -9.326 -14.094 -18.719) 25.219 13.905 ( 4.452 10.230 -0.152) 11.158 17.859 ( -2.340 -1.053 13.510) 13.752 18.878 ( 1.118 11.267 1.826) 11.469 ======================= Grid point 21 (14/324) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -3.219 -1.138 0.648) 3.475 1.989 ( 2.401 -11.144 8.281) 14.090 2.277 ( -5.411 -2.047 -2.272) 6.216 2.422 ( -5.000 4.087 -1.723) 6.684 2.537 ( -3.919 -8.779 -6.752) 11.749 2.596 ( -5.182 -5.357 0.580) 7.476 2.970 ( 3.230 -10.262 2.911) 11.145 3.185 ( -0.672 -3.852 -0.622) 3.960 3.348 ( -4.957 -2.743 -1.049) 5.762 3.668 ( 4.019 -1.050 -8.319) 9.298 3.848 ( 3.963 -1.369 6.201) 7.486 4.203 ( 6.993 -0.227 6.125) 9.299 4.387 ( 0.502 -1.769 1.576) 2.422 4.931 ( 2.171 -2.105 -1.957) 3.602 5.132 ( 0.684 0.929 -1.346) 1.773 5.153 ( 1.868 -5.527 0.483) 5.854 5.251 ( 2.308 -1.258 -1.467) 3.010 5.420 ( -3.121 -2.952 -2.175) 4.815 5.465 ( -4.533 -2.629 -1.014) 5.337 5.532 ( -0.398 0.604 1.416) 1.590 5.741 ( -4.110 1.301 2.767) 5.123 11.517 ( 0.944 -1.242 0.928) 1.815 12.124 ( 3.107 8.619 -1.414) 9.270 12.952 ( -4.998 -11.372 -15.307) 19.713 13.732 ( 0.252 10.307 1.037) 10.362 17.958 ( -1.637 -5.615 7.131) 9.223 18.676 ( -0.163 11.850 1.599) 11.958 ======================= Grid point 22 (15/324) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -1.159 -0.882 2.567) 2.952 2.173 ( 2.045 -1.768 1.956) 3.337 2.261 ( -5.515 -2.510 1.754) 6.308 2.322 ( -2.369 0.383 -0.884) 2.557 2.654 ( -2.394 -6.344 -1.817) 7.020 2.689 ( -1.197 -6.072 -1.701) 6.419 3.181 ( 2.409 -8.036 2.690) 8.810 3.222 ( 1.443 -0.723 -2.327) 2.832 3.354 ( -5.964 -2.814 -3.041) 7.262 3.664 ( -1.087 -0.764 -5.525) 5.682 3.820 ( 4.192 6.172 4.615) 8.773 4.266 ( 3.741 1.612 4.898) 6.371 4.403 ( 0.234 0.194 0.228) 0.380 4.962 ( 2.761 -0.579 -0.318) 2.839 5.141 ( 0.815 -1.148 -0.578) 1.521 5.270 ( 2.043 -3.820 0.420) 4.353 5.296 ( 1.670 -3.956 -0.002) 4.294 5.434 ( -1.095 -0.868 -3.607) 3.868 5.474 ( -4.985 -2.094 -1.126) 5.523 5.545 ( 1.127 -0.984 0.700) 1.652 5.688 ( -3.951 2.894 3.100) 5.796 11.592 ( 0.765 -5.295 1.561) 5.574 11.950 ( 1.691 10.238 -2.118) 10.591 13.089 ( -0.401 -11.370 -9.205) 14.634 13.552 ( -1.479 9.244 2.856) 9.788 18.103 ( -0.542 -8.066 3.078) 8.650 18.461 ( -1.116 11.603 0.279) 11.660 ======================= Grid point 23 (16/324) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 1.559 -0.249 3.116) 3.493 2.142 ( -1.224 1.825 -3.734) 4.333 2.290 ( 2.372 -3.297 -0.346) 4.076 2.403 ( 1.796 -2.921 6.501) 7.350 2.710 ( 0.044 -0.969 2.585) 2.761 2.769 ( -0.345 -3.045 -2.499) 3.955 3.202 ( 0.596 2.721 -3.477) 4.455 3.259 ( -0.125 0.688 1.998) 2.117 3.389 ( -6.542 -5.806 -4.191) 9.699 3.627 ( 1.561 1.694 -2.225) 3.202 3.777 ( 0.020 2.030 2.189) 2.985 4.230 ( 1.203 4.354 1.223) 4.680 4.398 ( 0.023 0.235 -0.292) 0.376 4.969 ( 1.170 1.266 0.850) 1.922 5.147 ( -0.615 0.837 -0.566) 1.183 5.295 ( 0.461 0.775 0.424) 0.996 5.332 ( -1.240 2.449 -0.732) 2.841 5.462 ( -1.287 -2.715 1.514) 3.365 5.490 ( -0.709 -2.962 -1.267) 3.298 5.572 ( 2.863 -0.402 -0.297) 2.907 5.657 ( -0.506 -0.758 0.588) 1.085 11.677 ( 0.557 1.582 0.000) 1.677 11.807 ( -1.105 -0.093 -0.515) 1.222 13.263 ( 0.900 -8.355 -0.218) 8.406 13.438 ( 1.121 2.778 2.312) 3.784 18.212 ( -1.241 6.644 -0.963) 6.827 18.303 ( 0.059 -5.221 -0.352) 5.233 ======================= Grid point 24 (17/324) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 1.242 3.170 -1.691) 3.802 2.099 ( 0.793 1.959 3.105) 3.756 2.400 ( 7.242 -3.636 -3.769) 8.938 2.447 ( 1.916 0.402 4.646) 5.041 2.731 ( 1.288 1.956 -0.666) 2.435 2.779 ( 4.470 0.518 5.828) 7.363 3.065 ( -2.121 9.887 -2.643) 10.452 3.232 ( -1.084 2.093 0.911) 2.527 3.437 ( -3.707 -4.350 -2.861) 6.392 3.623 ( -0.814 -1.090 -5.489) 5.655 3.744 ( -1.667 1.297 4.131) 4.640 4.130 ( -1.703 7.014 -2.012) 7.493 4.389 ( -0.176 0.832 -0.726) 1.118 4.950 ( -0.457 0.985 2.147) 2.406 5.101 ( -2.367 2.090 -1.478) 3.487 5.248 ( 0.452 3.897 0.423) 3.946 5.280 ( -1.056 2.366 1.541) 3.015 5.469 ( -2.204 -0.327 -0.263) 2.243 5.542 ( 1.323 -0.629 1.844) 2.355 5.581 ( 3.811 1.296 -0.709) 4.087 5.711 ( 2.136 -3.795 -1.688) 4.670 11.571 ( 0.223 5.453 -0.431) 5.475 11.918 ( -2.602 -8.743 0.546) 9.138 13.338 ( 2.118 2.014 12.425) 12.764 13.531 ( 2.477 -9.237 -4.023) 10.376 18.003 ( -1.895 10.345 -5.213) 11.738 18.481 ( 1.024 -10.543 -0.082) 10.593 ======================= Grid point 25 (18/324) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -1.511 8.598 -4.140) 9.662 2.079 ( 5.415 6.301 6.786) 10.728 2.360 ( 3.297 4.842 -3.346) 6.746 2.537 ( 0.850 -2.768 4.192) 5.095 2.628 ( -0.927 6.328 -3.641) 7.360 2.801 ( 1.657 8.651 -0.453) 8.820 2.926 ( 10.813 0.885 5.111) 11.993 3.176 ( -0.468 3.959 -1.319) 4.199 3.449 ( 1.975 2.969 -1.247) 3.778 3.547 ( -10.934 3.996 -1.143) 11.697 3.776 ( 0.254 -1.130 1.938) 2.258 3.968 ( -4.716 2.887 -3.622) 6.610 4.345 ( -0.595 3.568 -1.253) 3.828 4.950 ( -0.088 1.009 2.438) 2.640 5.061 ( -2.182 -0.160 -1.819) 2.845 5.199 ( 1.324 1.775 1.084) 2.466 5.237 ( -1.654 2.206 2.746) 3.891 5.463 ( -0.694 -0.188 -0.597) 0.935 5.546 ( 4.651 2.054 -2.790) 5.800 5.554 ( 0.141 2.517 2.381) 3.467 5.770 ( 1.919 -1.817 -1.265) 2.930 11.523 ( 0.748 -0.099 0.822) 1.115 12.065 ( -2.644 -8.488 0.188) 8.892 13.372 ( 5.645 3.369 13.504) 15.019 13.684 ( -0.739 -7.998 -2.049) 8.290 17.779 ( -2.212 9.391 -8.788) 13.050 18.682 ( 1.018 -10.600 0.157) 10.650 ======================= Grid point 26 (19/324) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -1.623 14.327 -2.941) 14.716 1.933 ( 3.356 15.045 0.834) 15.437 2.245 ( 3.664 9.478 2.381) 10.437 2.491 ( -4.091 2.144 -4.510) 6.455 2.594 ( -0.765 1.372 7.633) 7.793 2.663 ( 1.977 4.324 -3.838) 6.110 2.950 ( 8.876 13.859 3.447) 16.815 2.997 ( -1.514 11.669 -3.511) 12.280 3.332 ( 4.132 5.454 -4.937) 8.438 3.406 ( -7.972 4.375 2.811) 9.518 3.834 ( -1.001 -5.056 8.981) 10.355 4.000 ( -0.679 -6.626 -7.794) 10.253 4.238 ( -1.947 6.223 -1.506) 6.692 4.922 ( 0.142 2.424 1.312) 2.760 5.019 ( -0.598 4.414 -0.224) 4.460 5.202 ( -1.115 -0.611 0.411) 1.336 5.256 ( 0.286 -3.698 4.291) 5.672 5.450 ( 0.481 3.399 -2.614) 4.316 5.486 ( 1.601 1.625 0.827) 2.427 5.553 ( 0.852 -1.032 -1.083) 1.722 5.784 ( 1.379 0.782 -0.351) 1.624 11.584 ( 1.146 -4.972 1.475) 5.312 12.196 ( -1.360 -6.706 -0.007) 6.842 13.375 ( 8.376 7.090 11.917) 16.200 13.799 ( -4.181 -6.664 0.088) 7.868 17.557 ( -2.875 8.228 -11.847) 14.708 18.876 ( 0.599 -9.821 0.510) 9.853 ======================= Grid point 27 (20/324) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -1.101 18.919 -1.978) 19.053 1.575 ( 0.932 24.008 -1.502) 24.073 2.131 ( 0.332 4.620 2.173) 5.116 2.392 ( -1.796 30.679 1.159) 30.753 2.420 ( -2.009 8.279 -3.659) 9.272 2.551 ( -0.007 5.248 2.262) 5.715 2.647 ( 1.429 0.300 -1.901) 2.397 2.914 ( 1.415 4.217 2.214) 4.969 3.282 ( 5.136 2.786 -5.036) 7.714 3.303 ( -4.801 3.714 2.451) 6.546 3.956 ( -1.028 2.693 0.718) 2.970 4.039 ( 6.010 -1.393 6.880) 9.241 4.168 ( -4.983 -5.422 -7.122) 10.245 4.882 ( -0.086 2.580 0.627) 2.656 4.905 ( -0.159 7.153 0.278) 7.160 5.219 ( -0.184 -1.070 0.064) 1.088 5.291 ( 1.351 6.314 3.645) 7.414 5.410 ( -0.629 -5.767 -2.950) 6.508 5.515 ( 1.376 -2.100 1.320) 2.836 5.593 ( -0.629 -3.621 -0.863) 3.775 5.758 ( 0.446 2.512 0.332) 2.573 11.711 ( 0.704 -7.105 1.169) 7.235 12.291 ( 0.153 -3.943 -0.106) 3.948 13.314 ( 10.374 10.184 9.952) 17.618 13.888 ( -6.530 -6.060 0.844) 8.949 17.341 ( -3.508 7.252 -12.618) 14.970 19.048 ( 0.130 -8.384 0.521) 8.401 ======================= Grid point 28 (21/324) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 21.618 -0.000) 21.618 1.089 ( 0.000 28.208 -0.000) 28.208 1.665 ( 0.000 42.268 -0.000) 42.268 2.098 ( 0.000 0.012 -0.000) 0.012 2.317 ( 0.000 5.581 -0.000) 5.581 2.466 ( 0.000 4.604 -0.000) 4.604 2.633 ( 0.000 1.920 -0.000) 1.920 2.864 ( 0.000 2.212 -0.000) 2.212 3.197 ( 0.000 5.226 -0.000) 5.226 3.280 ( -0.000 -0.776 0.000) 0.776 3.787 ( 0.000 10.609 -0.000) 10.609 4.167 ( -0.000 -5.309 0.000) 5.309 4.254 ( -0.000 -6.080 0.000) 6.080 4.771 ( 0.000 7.145 -0.000) 7.145 4.821 ( 0.000 4.613 -0.000) 4.613 5.151 ( 0.000 5.886 -0.000) 5.886 5.275 ( -0.000 -2.202 0.000) 2.202 5.524 ( -0.000 -6.213 0.000) 6.213 5.569 ( -0.000 -2.585 0.000) 2.585 5.658 ( -0.000 -1.977 0.000) 1.977 5.716 ( 0.000 0.421 -0.000) 0.421 11.844 ( -0.000 -6.419 0.000) 6.419 12.339 ( -0.000 -1.306 0.000) 1.306 13.203 ( 0.000 9.157 -0.000) 9.157 13.966 ( -0.000 -5.022 0.000) 5.022 17.161 ( 0.000 6.453 -0.000) 6.453 19.185 ( -0.000 -6.277 0.000) 6.277 ======================= Grid point 31 (22/324) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 21.437 -0.000 10.233) 23.754 0.772 ( 18.123 -0.000 16.953) 24.816 0.997 ( 27.141 -0.000 18.414) 32.798 2.207 ( 6.175 -0.000 -8.903) 10.835 2.285 ( 4.627 -0.000 -10.543) 11.513 2.340 ( -12.590 0.000 4.488) 13.366 2.510 ( -6.614 0.000 7.864) 10.276 2.832 ( 1.523 -0.000 -3.817) 4.110 2.947 ( -17.671 0.000 6.568) 18.852 3.520 ( -2.803 0.000 -0.235) 2.813 3.566 ( 7.980 -0.000 4.344) 9.086 4.168 ( -2.506 0.000 -12.082) 12.339 4.474 ( -3.900 0.000 7.215) 8.201 4.579 ( -0.720 0.000 -0.134) 0.733 4.615 ( -1.243 0.000 0.036) 1.244 4.760 ( 3.062 -0.000 0.245) 3.072 5.020 ( -3.296 0.000 -2.569) 4.179 5.476 ( 5.741 -0.000 -7.414) 9.376 5.523 ( -5.068 0.000 -7.130) 8.748 5.742 ( 7.172 -0.000 -2.970) 7.762 6.084 ( 10.820 -0.000 3.036) 11.238 10.504 ( -0.018 0.000 3.392) 3.392 11.935 ( 1.311 -0.000 -4.040) 4.247 12.319 ( -0.623 0.000 -2.007) 2.102 14.424 ( 19.564 -0.000 -10.067) 22.002 18.980 ( -37.281 0.000 17.390) 41.137 19.574 ( -17.925 0.000 31.557) 36.292 ======================= Grid point 32 (23/324) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 15.670 -8.610 10.405) 20.687 1.047 ( 11.719 -9.711 17.404) 23.120 1.465 ( 22.512 -23.866 8.759) 33.957 2.179 ( 3.572 -0.585 -12.588) 13.098 2.220 ( -5.480 5.314 2.676) 8.089 2.351 ( 4.582 -6.237 -6.943) 10.397 2.524 ( -7.919 -1.586 6.194) 10.178 2.791 ( -1.374 2.188 -2.143) 3.357 2.968 ( -12.080 -8.522 5.461) 15.760 3.493 ( -1.013 3.350 5.900) 6.860 3.612 ( 3.588 -3.417 0.361) 4.968 4.036 ( -1.004 5.010 -11.223) 12.331 4.460 ( -2.235 1.706 6.706) 7.272 4.630 ( -1.524 -5.555 -0.428) 5.776 4.698 ( 0.023 -6.115 -1.257) 6.243 4.912 ( -2.251 -7.373 -4.208) 8.783 5.071 ( -5.966 -10.620 0.483) 12.191 5.440 ( -8.178 1.133 -1.683) 8.426 5.468 ( 5.566 1.364 -8.867) 10.557 5.726 ( 6.466 4.423 -2.119) 8.115 6.059 ( 8.824 8.641 4.024) 12.989 11.048 ( -14.231 -46.025 -10.460) 49.297 11.895 ( 2.169 3.003 -3.674) 5.217 12.331 ( -0.049 -2.667 -2.292) 3.517 14.423 ( 15.609 6.649 -4.854) 17.646 18.578 ( -27.611 26.791 26.150) 46.519 19.435 ( 3.624 13.017 13.602) 19.173 ======================= Grid point 33 (24/324) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 8.477 -11.879 10.827) 18.171 1.381 ( 7.197 -13.290 12.204) 19.426 2.025 ( 8.901 -19.367 -2.128) 21.420 2.128 ( -7.431 1.677 1.257) 7.721 2.198 ( 7.522 -7.232 -8.095) 13.206 2.471 ( 4.246 -6.764 -5.369) 9.623 2.570 ( -4.922 -5.296 4.374) 8.450 2.749 ( -2.076 -0.785 -1.329) 2.587 3.114 ( -7.102 -8.784 1.717) 11.426 3.469 ( -1.593 1.569 10.135) 10.379 3.708 ( -1.110 -4.754 -3.276) 5.879 3.928 ( 1.543 0.112 -5.840) 6.042 4.445 ( -1.040 2.274 5.874) 6.384 4.747 ( -0.058 -7.641 -1.542) 7.795 4.796 ( 0.633 -4.262 -2.353) 4.909 4.989 ( -2.094 -7.126 -3.752) 8.321 5.235 ( -3.451 -6.317 2.014) 7.475 5.371 ( -6.061 0.487 -3.575) 7.053 5.449 ( 0.641 -1.544 -4.616) 4.909 5.641 ( 3.571 6.492 -0.637) 7.436 5.936 ( 5.059 10.192 3.425) 11.883 11.603 ( -12.283 -20.489 -9.694) 25.780 11.880 ( -1.273 -9.515 -7.307) 12.064 12.392 ( 0.195 -5.149 -3.620) 6.297 14.314 ( 11.589 10.989 -2.456) 16.158 18.147 ( -14.843 18.146 21.832) 32.034 19.289 ( 5.873 11.543 6.593) 14.533 ======================= Grid point 34 (25/324) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 2.897 -12.322 9.509) 15.831 1.693 ( 4.296 -11.280 7.244) 14.077 2.097 ( -6.233 -2.488 1.981) 6.997 2.173 ( 1.708 -6.935 -10.698) 12.863 2.418 ( -3.941 -8.267 -1.975) 9.369 2.541 ( 3.120 -0.603 -5.751) 6.570 2.689 ( -2.813 -6.391 1.851) 7.224 2.897 ( 2.083 -14.160 3.225) 14.671 3.175 ( -6.668 -3.301 0.331) 7.448 3.539 ( 3.013 -4.479 5.499) 7.706 3.709 ( 3.093 -0.006 -6.374) 7.085 4.041 ( -0.607 -9.843 3.908) 10.608 4.417 ( 0.578 3.217 4.610) 5.650 4.834 ( 1.324 -2.362 -3.654) 4.548 4.895 ( 1.221 -8.047 -1.969) 8.374 5.110 ( -1.757 -7.166 -2.099) 7.671 5.264 ( 1.628 1.439 -0.194) 2.181 5.334 ( -3.955 -1.329 -3.649) 5.543 5.455 ( -1.201 2.328 -0.195) 2.627 5.577 ( -2.394 -0.649 1.152) 2.735 5.795 ( 1.053 7.504 2.412) 7.952 11.616 ( -0.065 4.139 -0.677) 4.194 12.135 ( -4.903 -15.997 -8.909) 18.956 12.478 ( -3.640 -8.465 -9.521) 13.250 14.140 ( 7.526 12.245 -1.885) 14.497 17.943 ( -9.343 6.518 14.021) 18.065 19.123 ( 4.331 12.454 4.697) 13.997 ======================= Grid point 35 (26/324) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -4.291 -9.064 3.537) 10.634 1.893 ( 5.856 -6.296 8.761) 12.276 2.169 ( -4.999 -6.406 -1.167) 8.209 2.290 ( 0.089 -8.857 -6.584) 11.036 2.472 ( -5.120 -4.398 -0.570) 6.774 2.490 ( -4.451 3.737 -2.667) 6.394 2.816 ( -0.436 -8.579 0.959) 8.644 3.074 ( -4.496 -5.910 0.352) 7.434 3.264 ( -1.396 -5.730 0.892) 5.964 3.634 ( 4.005 -1.915 -7.989) 9.139 3.793 ( 7.909 -7.383 4.327) 11.653 4.228 ( 0.562 -6.446 5.960) 8.797 4.386 ( 1.528 1.918 3.090) 3.945 4.877 ( 2.759 -3.201 -2.923) 5.138 5.036 ( 1.699 -7.100 -1.859) 7.533 5.165 ( 0.377 0.044 -1.530) 1.576 5.250 ( 0.654 0.132 -0.392) 0.773 5.336 ( -2.522 -2.276 -2.705) 4.342 5.403 ( -4.060 -0.049 -0.036) 4.060 5.569 ( -0.856 2.292 2.111) 3.231 5.733 ( -3.396 0.054 2.106) 3.996 11.549 ( 1.804 3.051 1.474) 3.838 12.238 ( 1.895 1.260 -1.898) 2.963 12.599 ( -6.776 -14.578 -15.387) 22.253 13.940 ( 3.181 11.788 -1.482) 12.299 17.909 ( -5.996 -1.271 8.072) 10.135 18.923 ( 2.219 13.322 3.575) 13.971 ======================= Grid point 36 (27/324) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -2.805 -3.577 3.100) 5.502 2.111 ( 2.876 -8.877 9.878) 13.588 2.194 ( -3.740 -0.199 -3.665) 5.240 2.350 ( -5.842 3.804 -0.275) 6.977 2.428 ( -3.521 -9.713 -8.062) 13.105 2.583 ( -0.671 -6.936 2.418) 7.376 3.012 ( 0.887 -11.502 1.474) 11.630 3.154 ( -2.315 -5.557 -3.164) 6.800 3.306 ( -2.279 -0.069 1.604) 2.788 3.620 ( 1.926 0.111 -8.856) 9.064 3.939 ( 3.381 0.167 4.710) 5.800 4.325 ( 5.324 -0.711 5.375) 7.599 4.404 ( 0.486 -0.992 1.126) 1.577 4.948 ( 3.422 -2.927 -0.734) 4.563 5.120 ( 0.851 -1.434 -1.953) 2.568 5.188 ( 2.183 -4.483 1.027) 5.091 5.260 ( 1.047 -1.357 -0.771) 1.879 5.365 ( -3.275 -3.439 -1.831) 5.090 5.402 ( -4.374 -2.011 -2.105) 5.254 5.545 ( 0.793 0.575 0.909) 1.337 5.719 ( -4.809 1.094 3.050) 5.799 11.549 ( 2.097 -0.968 2.317) 3.271 12.132 ( 1.541 9.008 -2.580) 9.496 12.792 ( -2.273 -15.273 -10.920) 18.912 13.734 ( -0.322 10.726 -0.281) 10.734 17.980 ( -3.339 -5.852 4.038) 7.855 18.695 ( 0.292 13.615 2.101) 13.779 ======================= Grid point 37 (28/324) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 0.642 -2.172 5.976) 6.390 2.146 ( -0.940 1.327 -4.808) 5.076 2.254 ( -2.687 -0.954 1.758) 3.350 2.335 ( -0.157 -6.697 5.834) 8.883 2.587 ( -2.007 -11.429 -5.147) 12.694 2.691 ( -0.187 -3.690 2.026) 4.214 3.192 ( -0.214 -4.535 -4.436) 6.348 3.233 ( 1.297 -5.643 1.068) 5.888 3.281 ( -3.350 1.063 0.800) 3.604 3.590 ( -1.880 -1.391 -7.100) 7.476 3.892 ( 2.362 6.610 3.381) 7.791 4.344 ( 2.561 4.090 4.338) 6.489 4.406 ( 0.550 0.768 -0.436) 1.040 4.998 ( 3.407 -0.259 0.936) 3.543 5.141 ( 0.600 -1.024 -1.031) 1.572 5.295 ( 1.785 -1.816 0.327) 2.567 5.315 ( 0.903 -4.880 0.687) 5.010 5.394 ( -0.422 -2.222 -3.105) 3.841 5.408 ( -4.624 -3.287 -1.462) 5.859 5.563 ( 1.520 -1.304 0.030) 2.003 5.672 ( -4.156 2.149 3.072) 5.597 11.620 ( 1.339 -4.325 2.071) 4.979 11.937 ( 0.177 10.609 -2.934) 11.009 13.027 ( 1.073 -14.573 -5.294) 15.542 13.560 ( -0.950 7.676 1.834) 7.949 18.113 ( -1.260 -8.373 1.653) 8.627 18.451 ( -1.016 13.205 0.011) 13.244 ======================= Grid point 38 (29/324) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 1.993 1.624 3.032) 3.975 2.108 ( -0.991 -0.383 -0.338) 1.115 2.321 ( 4.485 -5.695 -0.815) 7.295 2.466 ( -0.651 -3.683 3.702) 5.262 2.735 ( -0.190 -0.741 0.643) 0.999 2.757 ( 1.420 -7.783 2.259) 8.228 3.180 ( 1.643 4.151 -4.284) 6.187 3.245 ( -3.168 -2.445 -5.356) 6.686 3.293 ( -5.389 0.312 2.685) 6.029 3.604 ( 0.254 -2.536 -4.065) 4.798 3.804 ( 0.379 4.656 2.597) 5.344 4.257 ( 1.317 7.145 1.373) 7.394 4.395 ( 0.038 0.406 -0.387) 0.562 4.998 ( 2.195 2.296 1.474) 3.502 5.127 ( -1.718 2.191 -1.222) 3.040 5.305 ( 0.596 1.639 0.480) 1.808 5.318 ( -0.408 1.644 -0.128) 1.699 5.428 ( -3.605 -2.231 -0.613) 4.284 5.503 ( 1.804 -5.692 0.337) 5.980 5.595 ( 1.930 -0.991 -0.376) 2.201 5.657 ( -0.612 -1.471 0.688) 1.735 11.686 ( 1.027 4.031 0.113) 4.161 11.786 ( -1.692 -1.525 -0.740) 2.395 13.274 ( 1.132 -12.425 -0.032) 12.476 13.477 ( 1.383 2.459 2.640) 3.863 18.186 ( -1.405 11.247 -1.119) 11.389 18.299 ( -0.081 -8.586 -0.533) 8.603 ======================= Grid point 39 (30/324) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 0.303 6.028 -1.897) 6.326 2.166 ( 1.682 -2.926 6.851) 7.637 2.421 ( 4.355 1.616 -5.609) 7.282 2.492 ( 0.456 -2.392 2.640) 3.592 2.715 ( -0.308 3.330 -2.028) 3.911 2.921 ( 7.207 -3.710 9.085) 12.176 3.034 ( 0.451 8.365 -1.808) 8.570 3.224 ( -1.368 2.969 0.569) 3.319 3.312 ( -8.977 -8.831 -7.171) 14.492 3.595 ( 0.944 3.190 -2.322) 4.057 3.761 ( -0.776 0.675 2.348) 2.564 4.109 ( -0.485 10.106 -0.554) 10.133 4.381 ( -0.127 1.223 -0.482) 1.320 4.973 ( 0.811 1.408 2.386) 2.887 5.057 ( -2.440 2.284 -2.039) 3.915 5.259 ( 0.589 3.334 0.222) 3.393 5.288 ( -0.180 2.149 1.636) 2.707 5.440 ( -1.698 -1.195 -1.052) 2.328 5.568 ( 0.723 -0.483 1.321) 1.582 5.607 ( 2.086 0.924 -0.569) 2.352 5.717 ( 1.057 -3.983 -0.827) 4.203 11.571 ( 0.229 4.894 -0.144) 4.901 11.898 ( -1.543 -8.190 0.219) 8.337 13.454 ( -0.144 -2.665 9.976) 10.327 13.522 ( 3.237 -7.426 -4.673) 9.352 17.942 ( -1.548 12.172 -3.525) 12.766 18.490 ( 0.600 -10.867 0.001) 10.884 ======================= Grid point 40 (31/324) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -0.492 9.425 -1.397) 9.541 2.196 ( 3.525 9.852 6.067) 12.095 2.347 ( 0.360 -2.139 -3.593) 4.196 2.562 ( -2.108 9.405 -0.930) 9.683 2.576 ( 0.825 -1.358 -1.050) 1.905 2.811 ( 0.195 9.629 0.748) 9.660 3.089 ( 6.773 2.511 1.936) 7.478 3.190 ( 6.327 0.867 3.130) 7.112 3.354 ( -11.555 -1.743 -5.255) 12.813 3.493 ( -0.195 6.049 0.347) 6.062 3.795 ( 0.129 -3.134 1.238) 3.372 3.910 ( -1.656 6.500 -1.386) 6.849 4.332 ( -0.247 4.091 -0.479) 4.126 4.973 ( 0.477 1.916 1.646) 2.570 5.025 ( -1.248 -1.594 -1.418) 2.472 5.210 ( 0.179 1.901 -0.001) 1.909 5.252 ( -0.112 1.871 1.760) 2.571 5.448 ( -0.379 -0.828 -0.753) 1.182 5.564 ( 1.750 1.356 -1.019) 2.437 5.570 ( -0.086 3.753 0.976) 3.878 5.777 ( 0.650 -2.006 -0.418) 2.150 11.536 ( 0.389 -0.816 0.410) 0.993 12.046 ( -0.992 -8.432 0.019) 8.490 13.506 ( 2.229 0.823 5.359) 5.862 13.664 ( -0.256 -7.204 -0.926) 7.268 17.700 ( -1.142 11.554 -3.634) 12.166 18.692 ( 0.439 -10.703 0.143) 10.713 ======================= Grid point 41 (32/324) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 14.492 -0.000) 14.492 1.956 ( 0.000 17.064 -0.000) 17.064 2.298 ( 0.000 12.763 -0.000) 12.763 2.420 ( -0.000 -2.317 0.000) 2.317 2.620 ( -0.000 -1.552 0.000) 1.552 2.667 ( 0.000 6.794 -0.000) 6.794 2.956 ( 0.000 20.220 -0.000) 20.220 3.035 ( 0.000 11.105 -0.000) 11.105 3.326 ( -0.000 -0.177 0.000) 0.177 3.374 ( 0.000 6.186 -0.000) 6.186 3.891 ( -0.000 -5.925 0.000) 5.925 3.940 ( -0.000 -8.731 0.000) 8.731 4.219 ( 0.000 7.856 -0.000) 7.856 4.929 ( 0.000 2.611 -0.000) 2.611 5.014 ( 0.000 3.808 -0.000) 3.808 5.197 ( -0.000 -0.483 0.000) 0.483 5.281 ( -0.000 -4.974 0.000) 4.974 5.437 ( 0.000 4.374 -0.000) 4.374 5.498 ( 0.000 1.260 -0.000) 1.260 5.553 ( -0.000 -0.287 0.000) 0.287 5.790 ( 0.000 0.579 -0.000) 0.579 11.598 ( -0.000 -5.256 0.000) 5.256 12.188 ( -0.000 -7.021 0.000) 7.021 13.483 ( 0.000 4.280 -0.000) 4.280 13.773 ( -0.000 -5.454 0.000) 5.454 17.482 ( 0.000 10.623 -0.000) 10.623 18.883 ( -0.000 -9.809 0.000) 9.809 ======================= Grid point 46 (33/324) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 20.120 -0.000 9.417) 22.215 1.096 ( 16.823 -0.000 12.710) 21.085 1.428 ( 23.059 -0.000 16.386) 28.288 2.119 ( -4.284 0.000 -10.807) 11.625 2.240 ( 4.966 -0.000 -10.783) 11.872 2.312 ( 2.522 -0.000 0.412) 2.555 2.497 ( -8.240 0.000 6.921) 10.761 2.792 ( -10.714 0.000 3.291) 11.208 2.826 ( -9.092 0.000 0.906) 9.137 3.483 ( -3.492 0.000 -0.182) 3.497 3.676 ( 5.719 -0.000 3.317) 6.611 4.029 ( -3.411 0.000 -11.001) 11.518 4.497 ( -3.003 0.000 6.206) 6.895 4.559 ( -2.440 0.000 0.160) 2.445 4.616 ( 1.098 -0.000 -0.198) 1.116 4.793 ( 2.662 -0.000 0.258) 2.675 4.963 ( -2.510 0.000 -2.526) 3.561 5.392 ( -8.637 0.000 -3.051) 9.159 5.479 ( 3.474 -0.000 -5.289) 6.328 5.798 ( 7.476 -0.000 -2.379) 7.846 6.222 ( 9.204 -0.000 3.217) 9.750 10.537 ( -0.311 0.000 3.982) 3.994 11.925 ( 2.922 -0.000 -2.724) 3.995 12.293 ( -0.521 0.000 -2.292) 2.351 14.549 ( 14.303 -0.000 -3.466) 14.717 18.703 ( -33.973 0.000 7.139) 34.715 19.667 ( -6.440 0.000 17.935) 19.056 ======================= Grid point 47 (34/324) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 15.798 -4.449 8.959) 18.699 1.325 ( 13.106 -7.033 14.093) 20.489 1.761 ( 16.580 -14.870 8.338) 23.781 2.043 ( -5.090 -0.062 -10.713) 11.861 2.227 ( 6.707 0.855 -4.563) 8.157 2.344 ( 2.075 -4.129 -2.797) 5.402 2.494 ( -6.845 -1.706 4.056) 8.137 2.742 ( -5.301 1.261 -0.702) 5.494 2.882 ( -10.584 -10.527 2.626) 15.157 3.483 ( -5.669 -1.407 2.171) 6.232 3.688 ( 5.577 1.466 2.832) 6.424 3.927 ( -1.822 2.726 -8.836) 9.425 4.493 ( -1.931 1.259 5.593) 6.049 4.609 ( -1.758 -5.900 -0.345) 6.166 4.692 ( 0.589 -5.888 -0.908) 5.987 4.867 ( -0.301 -4.048 -3.120) 5.119 5.029 ( -2.688 -10.176 0.475) 10.536 5.328 ( -7.268 0.452 -3.618) 8.131 5.455 ( 1.397 1.701 -3.386) 4.039 5.779 ( 6.354 5.068 -1.558) 8.276 6.181 ( 7.325 9.822 3.397) 12.715 10.889 ( -6.207 -32.047 -2.977) 32.778 11.902 ( 3.588 3.148 -1.497) 5.003 12.309 ( -0.156 -2.952 -2.329) 3.763 14.540 ( 11.896 7.162 -2.509) 14.110 18.413 ( -28.352 13.406 8.268) 32.433 19.587 ( 2.164 11.663 12.454) 17.199 ======================= Grid point 48 (35/324) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 7.890 -8.139 8.172) 13.974 1.593 ( 10.407 -8.316 13.260) 18.796 1.982 ( -6.713 -2.177 -8.882) 11.344 2.056 ( 2.289 -7.735 -2.493) 8.443 2.293 ( 6.634 -3.903 3.039) 8.275 2.487 ( 7.476 -7.761 -5.138) 11.938 2.535 ( -5.163 -6.605 -0.373) 8.392 2.722 ( -2.270 -4.375 1.062) 5.042 3.037 ( -8.140 -8.783 -0.211) 11.976 3.484 ( -7.417 -2.330 3.574) 8.556 3.721 ( 5.393 0.281 1.245) 5.542 3.902 ( 0.458 -4.946 -2.545) 5.581 4.480 ( -1.187 1.812 4.802) 5.268 4.732 ( -0.021 -7.990 -1.588) 8.146 4.783 ( 1.002 -3.682 -2.126) 4.368 4.943 ( -1.333 -7.537 -2.419) 8.027 5.220 ( -1.784 -9.097 1.015) 9.326 5.273 ( -5.758 -0.222 -3.315) 6.648 5.419 ( -0.248 0.064 -2.720) 2.732 5.676 ( 3.326 8.120 -0.018) 8.775 6.015 ( 4.049 12.385 2.840) 13.336 11.414 ( -7.565 -28.122 -6.893) 29.926 11.858 ( 2.689 1.112 -1.605) 3.323 12.362 ( -0.286 -3.682 -3.056) 4.794 14.403 ( 8.926 12.137 -2.673) 15.301 18.088 ( -18.975 10.643 8.569) 23.382 19.422 ( 5.267 13.566 8.183) 16.696 ======================= Grid point 49 (36/324) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -0.247 -8.085 5.620) 9.849 1.847 ( 8.470 -7.216 9.605) 14.699 1.991 ( -4.597 -6.602 -6.513) 10.350 2.160 ( 1.833 -5.530 -0.325) 5.835 2.379 ( -3.399 -2.900 1.727) 4.790 2.515 ( 2.036 1.428 -5.481) 6.019 2.650 ( -3.857 -7.938 -2.216) 9.099 2.923 ( -3.836 -9.491 2.004) 10.431 3.123 ( -1.219 -8.060 0.150) 8.153 3.544 ( -1.362 -5.667 -4.426) 7.318 3.768 ( 7.410 -1.943 3.477) 8.413 4.066 ( -1.132 -11.059 3.630) 11.695 4.456 ( -0.231 2.569 3.636) 4.458 4.824 ( 2.646 -2.958 -2.951) 4.945 4.891 ( 1.442 -8.471 -1.927) 8.806 5.075 ( -2.045 -7.449 -1.231) 7.822 5.239 ( -5.052 -0.483 -2.230) 5.543 5.298 ( 2.558 -0.559 -1.330) 2.937 5.436 ( -1.427 0.596 -0.718) 1.704 5.569 ( -1.826 1.474 2.048) 3.115 5.826 ( 0.799 10.006 1.998) 10.235 11.627 ( 1.538 0.582 1.282) 2.085 12.011 ( -3.040 -19.439 -7.765) 21.152 12.388 ( -1.834 -1.450 -5.401) 5.886 14.188 ( 5.433 13.706 -2.978) 15.041 17.914 ( -11.671 3.108 6.390) 13.664 19.220 ( 4.168 14.710 5.603) 16.283 ======================= Grid point 50 (37/324) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -3.550 -6.857 3.922) 8.660 2.014 ( 0.135 -6.818 0.254) 6.824 2.114 ( 2.669 -6.953 2.696) 7.921 2.254 ( 0.036 -3.145 -3.055) 4.385 2.401 ( -9.403 1.857 4.940) 10.783 2.472 ( 3.900 -3.488 -3.459) 6.272 2.800 ( -2.025 -11.210 -0.921) 11.428 3.001 ( -6.306 -6.279 -2.853) 9.345 3.285 ( 0.922 -4.579 4.072) 6.197 3.586 ( 2.031 -1.657 -9.189) 9.556 3.913 ( 6.341 -6.147 3.914) 9.660 4.278 ( 0.309 -9.396 4.179) 10.288 4.422 ( 0.391 2.310 2.533) 3.450 4.896 ( 4.473 -4.012 -1.573) 6.211 5.040 ( 2.187 -6.979 -1.931) 7.564 5.153 ( -0.484 -2.281 -1.389) 2.714 5.225 ( -4.722 -1.985 0.126) 5.124 5.312 ( 2.019 -0.437 -2.326) 3.111 5.358 ( -3.912 2.431 0.033) 4.606 5.584 ( 0.493 1.043 1.620) 1.989 5.714 ( -3.568 1.656 1.967) 4.398 11.598 ( 3.012 3.072 3.105) 5.306 12.237 ( 1.062 -0.328 -1.927) 2.225 12.421 ( -4.158 -14.918 -10.750) 18.852 13.948 ( 1.758 12.988 -2.516) 13.346 17.891 ( -6.560 -2.928 3.874) 8.162 18.981 ( 2.064 15.390 3.563) 15.932 ======================= Grid point 51 (38/324) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -0.650 -6.114 6.098) 8.660 2.106 ( -4.601 -4.094 -2.308) 6.577 2.219 ( 1.709 -1.993 -0.035) 2.626 2.298 ( -3.975 2.734 0.829) 4.895 2.346 ( 0.048 -9.922 -1.233) 9.999 2.606 ( 0.719 -6.538 1.680) 6.789 3.022 ( -0.982 -12.219 1.086) 12.306 3.086 ( -2.917 -7.774 -4.121) 9.269 3.327 ( 0.462 1.692 4.262) 4.609 3.552 ( 0.501 1.127 -9.005) 9.089 4.002 ( 1.970 1.552 2.779) 3.743 4.402 ( 0.828 0.356 2.985) 3.118 4.424 ( 2.465 -1.939 0.933) 3.272 4.992 ( 4.405 -3.327 0.828) 5.582 5.115 ( 1.082 -1.571 -1.663) 2.531 5.213 ( 1.362 -5.493 0.189) 5.663 5.254 ( -2.063 -3.005 0.600) 3.694 5.318 ( -3.189 -2.495 -1.759) 4.414 5.346 ( -1.192 -1.648 -2.084) 2.912 5.565 ( 2.032 1.014 0.197) 2.280 5.693 ( -4.819 0.802 2.694) 5.579 11.599 ( 2.367 -0.211 2.796) 3.670 12.111 ( -0.154 9.306 -3.192) 9.840 12.705 ( -0.077 -18.179 -5.701) 19.052 13.723 ( -0.553 10.554 -0.978) 10.614 17.969 ( -3.095 -6.738 1.853) 7.643 18.716 ( 0.269 15.388 1.606) 15.474 ======================= Grid point 52 (39/324) ======================= q-point: ( 0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 1.790 -2.370 7.536) 8.100 2.101 ( -0.478 0.986 -3.392) 3.565 2.239 ( -0.828 -4.235 -0.425) 4.336 2.345 ( -3.203 -7.024 -0.734) 7.755 2.560 ( 1.126 -12.461 0.794) 12.537 2.707 ( 0.009 -3.398 1.353) 3.658 3.125 ( -2.012 -3.593 -4.979) 6.462 3.261 ( -0.470 -5.406 4.207) 6.866 3.288 ( 1.483 2.965 0.578) 3.365 3.503 ( -2.089 -2.123 -6.674) 7.308 3.933 ( 1.011 6.656 1.722) 6.949 4.394 ( -0.248 3.311 3.320) 4.695 4.409 ( 1.844 2.965 -1.361) 3.748 5.049 ( 3.320 0.415 1.760) 3.781 5.133 ( -0.215 -0.527 -1.385) 1.498 5.308 ( -0.312 -2.298 0.531) 2.379 5.323 ( -0.083 -2.012 -0.721) 2.139 5.353 ( -2.383 -3.343 0.030) 4.106 5.379 ( 1.057 -6.240 -2.046) 6.651 5.577 ( 1.357 -1.119 -0.317) 1.787 5.656 ( -3.126 1.288 2.137) 4.000 11.654 ( 1.274 -3.460 1.826) 4.115 11.907 ( -0.638 10.708 -2.502) 11.015 13.008 ( 1.170 -16.246 -2.103) 16.423 13.565 ( -0.453 6.012 0.820) 6.084 18.111 ( -0.948 -9.054 0.727) 9.132 18.440 ( -0.670 14.761 -0.170) 14.777 ======================= Grid point 53 (40/324) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 0.795 4.921 0.362) 4.998 2.112 ( -0.381 -3.920 1.733) 4.303 2.375 ( 6.053 -6.522 0.081) 8.898 2.444 ( -4.982 -5.383 -0.648) 7.363 2.736 ( 0.574 0.279 -0.338) 0.722 2.816 ( 1.461 -13.174 4.174) 13.897 3.128 ( -1.374 -0.412 -5.774) 5.949 3.188 ( -1.097 5.733 0.234) 5.841 3.283 ( -1.245 3.080 1.139) 3.512 3.575 ( -0.025 -5.147 -1.886) 5.482 3.824 ( 0.163 5.468 0.994) 5.560 4.277 ( 0.532 8.362 0.574) 8.399 4.393 ( 0.022 0.480 -0.183) 0.514 5.040 ( 2.672 2.664 1.674) 4.127 5.090 ( -2.535 3.497 -1.589) 4.603 5.315 ( 0.568 1.598 0.261) 1.716 5.319 ( 0.045 1.113 0.169) 1.126 5.391 ( -1.733 -2.674 -0.536) 3.231 5.520 ( 0.683 -6.149 0.156) 6.189 5.607 ( 0.646 -1.279 -0.132) 1.439 5.656 ( -0.260 -1.932 0.282) 1.970 11.699 ( 0.789 7.990 0.159) 8.030 11.763 ( -1.079 -5.029 -0.433) 5.162 13.284 ( 0.506 -13.546 0.046) 13.556 13.507 ( 0.612 1.186 1.114) 1.739 18.167 ( -0.595 13.805 -0.480) 13.826 18.294 ( -0.071 -10.388 -0.260) 10.391 ======================= Grid point 54 (41/324) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.000 6.768 -0.000) 6.768 2.218 ( -0.000 -6.476 0.000) 6.476 2.410 ( 0.000 6.619 -0.000) 6.619 2.506 ( -0.000 -4.718 0.000) 4.718 2.703 ( 0.000 4.030 -0.000) 4.030 3.003 ( 0.000 10.239 -0.000) 10.239 3.086 ( -0.000 -11.460 0.000) 11.460 3.169 ( -0.000 -4.485 0.000) 4.485 3.219 ( 0.000 2.573 -0.000) 2.573 3.590 ( 0.000 3.267 -0.000) 3.267 3.768 ( 0.000 0.642 -0.000) 0.642 4.104 ( 0.000 11.126 -0.000) 11.126 4.378 ( 0.000 1.373 -0.000) 1.373 5.002 ( 0.000 1.787 -0.000) 1.787 5.021 ( 0.000 2.080 -0.000) 2.080 5.263 ( 0.000 3.379 -0.000) 3.379 5.297 ( 0.000 1.928 -0.000) 1.928 5.424 ( -0.000 -1.551 0.000) 1.551 5.579 ( -0.000 -0.441 0.000) 0.441 5.616 ( 0.000 0.802 -0.000) 0.802 5.719 ( -0.000 -4.045 0.000) 4.045 11.572 ( 0.000 4.615 -0.000) 4.615 11.890 ( -0.000 -7.985 0.000) 7.985 13.504 ( -0.000 -10.199 0.000) 10.199 13.515 ( -0.000 -0.919 0.000) 0.919 17.916 ( 0.000 12.982 -0.000) 12.982 18.493 ( -0.000 -11.057 0.000) 11.057 ======================= Grid point 61 (42/324) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 18.373 -0.000 8.391) 20.198 1.366 ( 16.394 -0.000 7.333) 17.959 1.772 ( 10.221 -0.000 15.052) 18.194 1.992 ( 3.708 -0.000 -10.417) 11.057 2.198 ( 4.388 -0.000 -9.776) 10.715 2.355 ( 4.082 -0.000 -0.308) 4.094 2.457 ( -9.235 0.000 5.025) 10.514 2.661 ( -20.236 0.000 7.639) 21.630 2.764 ( -0.070 0.000 -5.939) 5.939 3.443 ( -3.512 0.000 -0.037) 3.512 3.741 ( 2.641 -0.000 -0.265) 2.655 3.907 ( -3.397 0.000 -6.405) 7.250 4.523 ( -1.841 0.000 5.278) 5.590 4.535 ( -2.310 0.000 0.223) 2.321 4.628 ( 1.463 -0.000 -0.197) 1.476 4.822 ( 2.115 -0.000 0.230) 2.128 4.925 ( -1.531 0.000 -0.933) 1.792 5.275 ( -6.996 0.000 -3.814) 7.968 5.463 ( -0.095 0.000 -2.209) 2.211 5.858 ( 6.802 -0.000 -1.523) 6.970 6.338 ( 7.163 -0.000 2.685) 7.649 10.567 ( -0.652 0.000 3.670) 3.727 11.951 ( 4.352 -0.000 -0.257) 4.359 12.269 ( -0.216 0.000 -2.022) 2.033 14.660 ( 10.704 -0.000 -2.328) 10.954 18.387 ( -30.606 0.000 1.108) 30.626 19.758 ( -1.364 0.000 11.401) 11.483 ======================= Grid point 62 (43/324) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 13.879 -0.966 6.121) 15.200 1.585 ( 14.568 -7.318 10.132) 19.195 1.863 ( -7.563 -3.382 -0.651) 8.310 1.997 ( 11.907 0.870 -3.333) 12.396 2.289 ( 10.326 -9.819 -4.080) 14.822 2.335 ( -3.794 0.467 4.097) 5.604 2.451 ( -2.542 -1.658 -1.551) 3.408 2.664 ( -10.208 -2.693 1.826) 10.714 2.793 ( -5.742 -9.235 -1.762) 11.017 3.430 ( -6.016 -0.334 0.308) 6.033 3.747 ( 2.310 -1.422 -1.678) 3.190 3.854 ( -0.910 1.256 -1.852) 2.415 4.520 ( -1.227 1.103 4.247) 4.556 4.588 ( -1.511 -6.026 -0.284) 6.220 4.696 ( 1.001 -5.384 -0.139) 5.478 4.843 ( 0.166 -1.690 -1.973) 2.603 5.017 ( -0.982 -9.878 1.142) 9.992 5.223 ( -5.757 -0.064 -3.744) 6.868 5.435 ( -0.678 1.648 -1.663) 2.437 5.833 ( 5.346 5.702 -0.757) 7.853 6.277 ( 5.375 10.668 2.494) 12.203 10.829 ( -3.045 -24.738 -0.283) 24.926 11.944 ( 4.395 3.473 0.855) 5.666 12.287 ( -0.127 -2.802 -1.998) 3.444 14.628 ( 8.675 7.793 -2.777) 11.987 18.159 ( -25.085 6.923 1.424) 26.062 19.706 ( 2.055 9.593 8.813) 13.188 ======================= Grid point 63 (44/324) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 4.700 -3.728 3.922) 7.167 1.835 ( 12.052 -5.943 12.381) 18.272 1.858 ( -2.103 -2.422 -6.076) 6.871 2.059 ( 1.290 -5.330 -0.887) 5.556 2.357 ( -0.618 -0.902 4.166) 4.307 2.453 ( -4.856 -6.279 -4.887) 9.321 2.525 ( 7.637 -3.086 -5.979) 10.179 2.719 ( -3.643 -10.075 3.405) 11.241 2.952 ( -4.566 -9.989 -0.957) 11.025 3.406 ( -7.439 -3.331 -1.702) 8.326 3.806 ( 5.575 -0.654 2.394) 6.103 3.889 ( -0.974 -7.626 0.227) 7.691 4.506 ( -0.889 1.710 3.375) 3.887 4.719 ( 0.111 -8.524 -1.284) 8.621 4.784 ( 1.832 -3.136 -0.813) 3.722 4.912 ( -1.287 -7.430 -1.537) 7.696 5.177 ( -4.451 -2.007 -3.288) 5.886 5.226 ( -1.004 -9.031 1.221) 9.169 5.393 ( -0.774 1.003 -1.624) 2.059 5.711 ( 2.630 9.334 0.391) 9.705 6.073 ( 2.754 13.950 1.961) 14.354 11.311 ( -3.422 -28.181 -3.349) 28.585 11.891 ( 3.392 4.310 1.043) 5.583 12.330 ( -0.722 -2.595 -2.677) 3.798 14.457 ( 6.090 13.153 -3.335) 14.873 17.937 ( -16.564 4.966 2.561) 17.481 19.538 ( 3.641 13.880 6.316) 15.678 ======================= Grid point 64 (45/324) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -1.828 -5.611 3.193) 6.710 1.873 ( -0.166 -3.957 -7.673) 8.635 2.065 ( 8.591 -6.266 11.050) 15.336 2.183 ( 0.758 -5.893 1.963) 6.257 2.370 ( -2.483 -0.774 3.303) 4.204 2.494 ( 2.228 2.665 -4.133) 5.399 2.578 ( -3.437 -9.723 -4.219) 11.142 2.839 ( -9.780 -5.685 -2.177) 11.520 3.165 ( 4.177 -11.593 3.749) 12.880 3.471 ( -2.434 -6.851 -6.636) 9.843 3.875 ( 5.808 -2.982 3.077) 7.218 4.082 ( -1.471 -12.033 2.867) 12.457 4.478 ( -0.438 2.347 2.229) 3.266 4.840 ( 3.720 -3.850 -1.239) 5.495 4.891 ( 1.321 -8.886 -1.454) 9.100 5.042 ( -2.321 -7.321 -0.896) 7.732 5.163 ( -4.843 -1.469 -1.975) 5.433 5.319 ( 2.464 0.301 -0.702) 2.580 5.414 ( -1.365 -1.173 -0.472) 1.861 5.573 ( -0.951 3.362 1.912) 3.982 5.847 ( 0.435 11.681 1.254) 11.757 11.664 ( 2.036 -5.076 1.929) 5.800 11.937 ( -0.894 -15.293 -3.926) 15.814 12.329 ( -1.541 0.860 -3.673) 4.074 14.206 ( 3.161 14.848 -3.164) 15.507 17.835 ( -9.169 -0.147 2.415) 9.483 19.303 ( 2.730 16.008 4.063) 16.740 ======================= Grid point 65 (46/324) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -1.495 -7.810 5.256) 9.531 1.933 ( -2.628 -7.199 -7.550) 10.758 2.224 ( 1.205 0.754 -1.306) 1.930 2.247 ( 4.157 -4.665 6.683) 9.149 2.363 ( -5.280 4.930 4.229) 8.371 2.491 ( 3.466 -6.294 -2.157) 7.502 2.768 ( -2.118 -13.797 -0.472) 13.967 2.904 ( -5.188 -7.777 -3.752) 10.074 3.348 ( 1.446 -3.460 6.504) 7.508 3.515 ( 0.408 -1.999 -9.090) 9.316 3.992 ( 3.275 -4.387 1.865) 5.784 4.310 ( 0.157 -11.089 2.151) 11.297 4.440 ( -0.122 2.241 1.270) 2.579 4.940 ( 4.455 -4.853 -0.105) 6.589 5.050 ( 2.481 -7.052 -1.235) 7.577 5.125 ( -2.299 -3.800 -1.566) 4.709 5.176 ( -3.944 -3.473 0.357) 5.267 5.318 ( 1.525 0.815 -1.238) 2.127 5.324 ( -2.304 4.454 0.243) 5.020 5.608 ( 1.722 -1.012 0.914) 2.196 5.691 ( -3.218 4.030 1.209) 5.297 11.658 ( 2.466 3.432 2.772) 5.055 12.227 ( -0.005 2.259 -1.426) 2.672 12.316 ( -1.647 -18.749 -5.480) 19.603 13.938 ( 0.666 13.691 -2.035) 13.858 17.854 ( -4.131 -4.475 1.470) 6.265 19.025 ( 1.143 16.784 2.083) 16.951 ======================= Grid point 66 (47/324) ======================= q-point: ( 0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 1.476 -8.128 6.677) 10.622 2.033 ( -3.221 -7.945 -4.300) 9.591 2.177 ( -0.778 1.987 -3.814) 4.370 2.276 ( -1.232 1.589 0.310) 2.034 2.394 ( 1.607 -7.077 3.342) 7.989 2.621 ( 0.454 -6.207 0.248) 6.229 3.004 ( -1.602 -7.289 -0.943) 7.523 3.048 ( -0.414 -14.893 -0.403) 14.904 3.381 ( 0.910 2.948 5.280) 6.116 3.475 ( -0.450 1.499 -7.160) 7.329 4.033 ( 0.625 2.230 0.900) 2.484 4.415 ( -0.134 0.936 0.540) 1.089 4.457 ( 1.129 -2.486 0.682) 2.815 5.049 ( 3.375 -3.831 1.388) 5.291 5.108 ( -0.267 -0.592 -1.299) 1.452 5.218 ( 0.085 -6.673 -0.442) 6.688 5.236 ( -1.842 -4.304 0.636) 4.725 5.274 ( -1.531 -2.040 -0.794) 2.671 5.334 ( 0.456 -1.223 -0.723) 1.492 5.588 ( 1.782 1.870 -0.243) 2.595 5.668 ( -2.767 0.224 1.316) 3.072 11.639 ( 1.108 0.399 1.366) 1.804 12.083 ( -0.400 9.295 -1.580) 9.437 12.676 ( 0.291 -19.533 -1.631) 19.603 13.710 ( -0.269 10.240 -0.527) 10.257 17.955 ( -1.234 -7.412 0.519) 7.532 18.728 ( 0.090 16.467 0.576) 16.478 ======================= Grid point 67 (48/324) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -0.000 -3.126 0.000) 3.126 2.072 ( 0.000 3.680 -0.000) 3.680 2.231 ( -0.000 -10.891 0.000) 10.891 2.309 ( -0.000 -4.677 0.000) 4.677 2.580 ( -0.000 -12.143 0.000) 12.143 2.713 ( -0.000 -3.310 0.000) 3.310 3.087 ( -0.000 -2.937 0.000) 2.937 3.281 ( -0.000 -6.800 0.000) 6.800 3.306 ( 0.000 6.200 -0.000) 6.200 3.451 ( -0.000 -3.480 0.000) 3.480 3.946 ( 0.000 6.660 -0.000) 6.660 4.402 ( 0.000 0.613 -0.000) 0.613 4.418 ( 0.000 6.022 -0.000) 6.022 5.087 ( 0.000 1.332 -0.000) 1.332 5.116 ( -0.000 -0.560 0.000) 0.560 5.307 ( -0.000 -2.233 0.000) 2.233 5.310 ( -0.000 -3.778 0.000) 3.778 5.350 ( -0.000 -0.370 0.000) 0.370 5.376 ( -0.000 -8.532 0.000) 8.532 5.584 ( -0.000 -0.827 0.000) 0.827 5.648 ( 0.000 0.782 -0.000) 0.782 11.671 ( -0.000 -3.233 0.000) 3.233 11.890 ( 0.000 10.822 -0.000) 10.822 13.006 ( -0.000 -16.728 0.000) 16.728 13.566 ( 0.000 5.301 -0.000) 5.301 18.109 ( -0.000 -9.400 0.000) 9.400 18.435 ( 0.000 15.422 -0.000) 15.422 ======================= Grid point 76 (49/324) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 16.173 -0.000 7.221) 17.712 1.578 ( 15.464 -0.000 -0.049) 15.464 1.807 ( -6.408 0.000 3.168) 7.149 2.140 ( 16.349 -0.000 4.183) 16.875 2.154 ( 2.068 -0.000 -8.014) 8.276 2.381 ( -0.347 0.000 1.910) 1.941 2.393 ( -8.715 0.000 2.840) 9.166 2.512 ( -14.320 0.000 2.324) 14.508 2.715 ( 0.099 -0.000 -4.571) 4.572 3.409 ( -2.855 0.000 0.088) 2.856 3.696 ( -3.479 0.000 -7.213) 8.008 3.873 ( 0.139 -0.000 1.615) 1.621 4.515 ( -1.710 0.000 0.181) 1.720 4.549 ( -0.867 0.000 3.571) 3.674 4.642 ( 1.222 -0.000 -0.124) 1.228 4.843 ( 1.468 -0.000 0.171) 1.478 4.915 ( -0.738 0.000 1.297) 1.492 5.176 ( -4.769 0.000 -3.869) 6.141 5.439 ( -1.419 0.000 -1.077) 1.781 5.914 ( 5.139 -0.000 -0.593) 5.173 6.424 ( 4.846 -0.000 1.827) 5.179 10.588 ( -0.782 0.000 2.691) 2.802 12.009 ( 4.566 -0.000 1.660) 4.859 12.252 ( 0.060 -0.000 -1.399) 1.401 14.734 ( 7.325 -0.000 -2.855) 7.862 18.082 ( -24.164 0.000 -1.504) 24.211 19.839 ( 0.609 -0.000 7.118) 7.144 ======================= Grid point 77 (50/324) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 8.034 2.773 0.534) 8.516 1.796 ( 4.880 -5.993 0.489) 7.744 1.826 ( 8.885 -4.391 7.207) 12.254 2.065 ( 4.097 5.020 -0.729) 6.521 2.241 ( -8.612 -6.480 -1.603) 10.896 2.397 ( 0.856 0.374 -1.350) 1.642 2.467 ( 10.551 -6.654 1.206) 12.532 2.553 ( -12.829 -7.453 1.694) 14.933 2.740 ( -1.080 -6.870 -1.670) 7.152 3.361 ( -5.746 2.571 -1.273) 6.422 3.709 ( -1.159 -6.720 -4.754) 8.313 3.874 ( 1.117 0.904 2.814) 3.160 4.541 ( -0.612 0.845 2.501) 2.710 4.571 ( -0.987 -5.816 -0.292) 5.907 4.709 ( 0.998 -5.590 0.401) 5.692 4.834 ( 0.241 -0.058 -0.680) 0.724 5.024 ( -0.408 -9.224 1.689) 9.386 5.139 ( -3.552 -0.389 -3.490) 4.995 5.413 ( -1.166 1.435 -0.845) 2.033 5.878 ( 3.552 6.202 -0.119) 7.148 6.342 ( 3.242 11.227 1.474) 11.778 10.807 ( -1.471 -21.368 0.436) 21.423 12.004 ( 3.819 3.795 1.967) 5.732 12.270 ( -0.130 -2.270 -1.386) 2.663 14.677 ( 5.344 8.297 -2.996) 10.313 17.924 ( -17.639 3.141 -0.731) 17.932 19.790 ( 1.645 8.482 5.235) 10.102 ======================= Grid point 78 (51/324) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -0.032 -1.244 0.029) 1.245 1.833 ( 3.980 0.670 -2.873) 4.954 2.057 ( 8.000 -6.168 9.631) 13.957 2.074 ( 0.658 -5.516 2.602) 6.135 2.354 ( -2.981 -9.286 -1.754) 9.910 2.377 ( 0.362 0.378 -2.344) 2.402 2.541 ( 3.870 0.987 -3.888) 5.574 2.655 ( -10.575 -7.563 0.105) 13.002 2.961 ( 4.082 -14.407 2.155) 15.128 3.306 ( -6.297 -3.349 -3.221) 7.826 3.860 ( 3.454 -8.535 -2.203) 9.467 3.895 ( -1.153 -2.881 4.128) 5.164 4.522 ( -0.460 1.747 1.636) 2.437 4.711 ( 0.115 -9.163 -0.693) 9.190 4.808 ( 2.490 -2.723 0.565) 3.733 4.885 ( -1.664 -7.136 -1.100) 7.409 5.109 ( -3.024 -0.891 -2.107) 3.792 5.231 ( -0.091 -10.873 0.742) 10.899 5.374 ( -0.614 1.548 -0.803) 1.848 5.737 ( 1.459 10.088 0.405) 10.201 6.109 ( 1.376 14.872 0.979) 14.968 11.267 ( -1.196 -27.768 -1.207) 27.819 11.939 ( 2.505 5.600 1.615) 6.344 12.301 ( -0.725 -1.598 -1.758) 2.484 14.479 ( 3.065 13.847 -2.587) 14.416 17.804 ( -9.612 1.419 0.470) 9.728 19.611 ( 1.864 13.810 3.309) 14.323 ======================= Grid point 79 (52/324) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -1.195 -6.408 1.226) 6.633 1.825 ( 0.583 -0.974 -3.348) 3.535 2.204 ( 0.565 -4.037 0.961) 4.188 2.224 ( 4.064 -4.678 5.652) 8.387 2.387 ( -0.763 -2.610 3.787) 4.662 2.486 ( 2.788 5.568 -3.920) 7.358 2.519 ( -1.515 -10.975 -1.621) 11.197 2.714 ( -6.940 -7.735 -2.505) 10.690 3.255 ( 3.961 -11.419 5.047) 13.098 3.379 ( -3.093 -7.610 -5.974) 10.157 3.938 ( 2.315 -3.156 0.889) 4.014 4.087 ( -0.826 -12.672 1.196) 12.755 4.488 ( -0.199 2.334 0.716) 2.449 4.872 ( 2.459 -4.724 -0.024) 5.326 4.892 ( 0.576 -9.084 -0.549) 9.119 5.012 ( -1.638 -6.907 -0.546) 7.120 5.110 ( -2.106 -1.728 -0.728) 2.819 5.335 ( 1.066 1.199 -0.304) 1.634 5.400 ( -0.666 -2.602 -0.105) 2.688 5.579 ( -0.265 4.197 0.781) 4.277 5.858 ( 0.129 12.569 0.419) 12.577 11.694 ( 0.857 -10.983 0.763) 11.042 11.913 ( 0.065 -9.584 -0.823) 9.619 12.291 ( -0.719 1.645 -1.469) 2.319 14.206 ( 1.012 15.469 -1.409) 15.566 17.777 ( -3.443 -2.025 0.590) 4.038 19.348 ( 0.931 16.574 1.444) 16.663 ======================= Grid point 80 (53/324) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.000 -10.080 0.000) 10.080 1.870 ( -0.000 -5.282 0.000) 5.282 2.215 ( 0.000 1.817 -0.000) 1.817 2.313 ( -0.000 -2.604 0.000) 2.604 2.360 ( 0.000 5.529 -0.000) 5.529 2.499 ( -0.000 -6.923 0.000) 6.923 2.754 ( -0.000 -15.291 0.000) 15.291 2.851 ( -0.000 -8.817 0.000) 8.817 3.417 ( -0.000 -2.585 0.000) 2.585 3.445 ( -0.000 -2.574 0.000) 2.574 4.018 ( -0.000 -3.693 0.000) 3.693 4.320 ( -0.000 -11.664 0.000) 11.664 4.445 ( 0.000 2.226 -0.000) 2.226 4.969 ( -0.000 -5.346 0.000) 5.346 5.069 ( -0.000 -9.155 0.000) 9.155 5.089 ( -0.000 -2.101 0.000) 2.101 5.156 ( -0.000 -3.965 0.000) 3.965 5.312 ( 0.000 6.291 -0.000) 6.291 5.322 ( 0.000 0.091 -0.000) 0.091 5.627 ( -0.000 -4.037 0.000) 4.037 5.675 ( 0.000 7.191 -0.000) 7.191 11.687 ( 0.000 3.651 -0.000) 3.651 12.218 ( 0.000 5.753 -0.000) 5.753 12.284 ( -0.000 -22.705 0.000) 22.705 13.932 ( 0.000 13.910 -0.000) 13.910 17.837 ( -0.000 -5.076 0.000) 5.076 19.041 ( 0.000 17.266 -0.000) 17.266 ======================= Grid point 92 (54/324) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 2.967 -0.000 -4.426) 5.329 1.756 ( 13.015 -0.000 5.873) 14.279 1.866 ( 9.889 -0.000 4.938) 11.053 2.088 ( -2.953 0.000 -5.910) 6.607 2.198 ( -12.010 0.000 2.234) 12.216 2.332 ( -5.119 0.000 0.913) 5.200 2.407 ( -0.228 0.000 -1.950) 1.964 2.478 ( 7.503 -0.000 5.716) 9.432 2.679 ( -1.166 0.000 -3.013) 3.231 3.385 ( -1.609 0.000 0.097) 1.612 3.587 ( -4.210 0.000 -5.635) 7.034 3.897 ( 0.497 -0.000 1.694) 1.765 4.502 ( -0.905 0.000 0.097) 0.911 4.567 ( -0.292 0.000 1.594) 1.620 4.652 ( 0.683 -0.000 -0.054) 0.685 4.856 ( 0.753 -0.000 0.091) 0.758 4.928 ( -0.264 0.000 2.280) 2.295 5.106 ( -2.268 0.000 -3.062) 3.811 5.417 ( -1.203 0.000 -0.477) 1.295 5.955 ( 2.757 -0.000 -0.067) 2.758 6.476 ( 2.434 -0.000 0.902) 2.596 10.599 ( -0.536 0.000 1.389) 1.489 12.068 ( 2.974 -0.000 1.715) 3.433 12.244 ( 0.125 -0.000 -0.684) 0.695 14.769 ( 3.754 -0.000 -2.352) 4.430 17.860 ( -13.557 0.000 -1.434) 13.633 19.896 ( 0.745 -0.000 3.494) 3.572 ======================= Grid point 93 (55/324) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.902 3.967 -1.266) 4.261 1.879 ( 7.264 -0.687 2.601) 7.747 1.978 ( 7.187 -3.795 1.189) 8.214 2.069 ( -8.246 1.200 3.377) 8.991 2.155 ( 2.030 -10.040 -3.890) 10.957 2.376 ( -1.768 -0.775 -0.674) 2.045 2.437 ( -6.735 -6.351 -0.546) 9.274 2.580 ( 5.023 -1.246 1.141) 5.300 2.734 ( 0.377 -10.429 0.321) 10.441 3.296 ( -3.013 5.252 -1.229) 6.178 3.667 ( -0.631 -9.772 -1.732) 9.944 3.902 ( 0.468 0.139 1.165) 1.263 4.553 ( -0.197 0.497 1.035) 1.165 4.561 ( -0.324 -5.472 -0.384) 5.495 4.720 ( 0.423 -6.237 0.211) 6.255 4.834 ( 0.133 1.012 0.010) 1.020 5.036 ( -0.169 -8.766 1.536) 8.901 5.086 ( -1.156 -0.343 -2.233) 2.537 5.398 ( -0.537 1.244 -0.267) 1.381 5.904 ( 1.244 6.476 0.046) 6.595 6.374 ( 1.079 11.512 0.481) 11.572 10.800 ( -0.446 -20.142 0.238) 20.148 12.050 ( 1.568 3.892 1.042) 4.324 12.260 ( -0.092 -1.724 -0.531) 1.806 14.695 ( 1.806 8.568 -1.386) 8.865 17.785 ( -6.396 1.276 -0.485) 6.540 19.835 ( 0.632 8.048 1.742) 8.259 ======================= Grid point 94 (56/324) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -0.000 -0.943 0.000) 0.943 1.849 ( 0.000 3.407 -0.000) 3.407 2.098 ( -0.000 -7.284 0.000) 7.284 2.140 ( -0.000 -6.417 0.000) 6.417 2.347 ( -0.000 -8.786 0.000) 8.786 2.372 ( 0.000 0.017 -0.000) 0.017 2.536 ( -0.000 -7.472 0.000) 7.472 2.575 ( 0.000 2.677 -0.000) 2.677 3.011 ( -0.000 -16.489 0.000) 16.489 3.244 ( -0.000 -2.412 0.000) 2.412 3.864 ( -0.000 -11.672 0.000) 11.672 3.912 ( -0.000 -0.852 0.000) 0.852 4.527 ( 0.000 1.775 -0.000) 1.775 4.709 ( -0.000 -9.435 0.000) 9.435 4.834 ( -0.000 -1.268 0.000) 1.268 4.862 ( -0.000 -8.343 0.000) 8.343 5.082 ( -0.000 -0.614 0.000) 0.614 5.234 ( -0.000 -11.339 0.000) 11.339 5.367 ( 0.000 1.765 -0.000) 1.765 5.747 ( 0.000 10.341 -0.000) 10.341 6.121 ( 0.000 15.175 -0.000) 15.175 11.256 ( -0.000 -27.623 0.000) 27.623 11.962 ( 0.000 5.927 -0.000) 5.927 12.288 ( -0.000 -1.161 0.000) 1.161 14.482 ( 0.000 14.091 -0.000) 14.091 17.752 ( 0.000 0.194 -0.000) 0.194 19.637 ( 0.000 13.770 -0.000) 13.770 ======================= Grid point 109 (57/324) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.000 -0.000 0.000) 0.000 1.888 ( 0.000 -0.000 0.000) 0.000 2.011 ( -0.000 0.000 -0.000) 0.000 2.025 ( 0.000 -0.000 0.000) 0.000 2.054 ( -0.000 0.000 -0.000) 0.000 2.307 ( -0.000 0.000 0.000) 0.000 2.392 ( 0.000 -0.000 0.000) 0.000 2.600 ( 0.000 -0.000 0.000) 0.000 2.624 ( -0.000 0.000 0.000) 0.000 3.376 ( 0.000 -0.000 0.000) 0.000 3.533 ( -0.000 0.000 0.000) 0.000 3.907 ( 0.000 -0.000 0.000) 0.000 4.497 ( 0.000 -0.000 0.000) 0.000 4.572 ( 0.000 -0.000 0.000) 0.000 4.655 ( 0.000 -0.000 0.000) 0.000 4.861 ( 0.000 -0.000 0.000) 0.000 4.939 ( 0.000 -0.000 -0.000) 0.000 5.078 ( 0.000 -0.000 0.000) 0.000 5.408 ( 0.000 -0.000 0.000) 0.000 5.970 ( 0.000 -0.000 0.000) 0.000 6.493 ( 0.000 -0.000 0.000) 0.000 10.602 ( 0.000 -0.000 0.000) 0.000 12.093 ( 0.000 -0.000 0.000) 0.000 12.242 ( 0.000 -0.000 0.000) 0.000 14.778 ( 0.000 -0.000 0.000) 0.000 17.778 ( 0.000 -0.000 0.000) 0.000 19.916 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 203 (58/324) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 7.552 -0.000 16.831) 18.447 0.512 ( -6.193 0.000 23.548) 24.349 0.842 ( 0.362 -0.000 37.890) 37.892 2.057 ( 3.218 -0.000 -11.766) 12.198 2.132 ( 5.284 -0.000 -13.789) 14.767 2.462 ( 14.437 -0.000 0.504) 14.446 2.650 ( -3.392 0.000 8.251) 8.921 2.708 ( 6.108 -0.000 -7.728) 9.850 3.256 ( -3.293 0.000 9.542) 10.094 3.351 ( 1.726 -0.000 3.836) 4.207 3.546 ( 0.319 -0.000 -0.737) 0.803 4.084 ( 4.139 -0.000 -13.308) 13.937 4.535 ( -0.391 0.000 5.010) 5.026 4.576 ( -0.195 0.000 -0.171) 0.260 4.662 ( 0.074 -0.000 -0.057) 0.093 4.701 ( 0.215 -0.000 0.244) 0.326 5.040 ( -1.149 0.000 -1.900) 2.220 5.433 ( -10.235 0.000 -1.406) 10.331 5.695 ( -0.660 0.000 0.210) 0.693 5.717 ( -5.700 0.000 -3.979) 6.952 6.080 ( -20.181 0.000 4.725) 20.727 10.513 ( 0.247 -0.000 3.773) 3.782 11.935 ( -2.212 0.000 -3.264) 3.942 12.324 ( -0.377 0.000 -2.046) 2.080 14.164 ( -11.609 0.000 3.058) 12.005 19.317 ( -5.504 0.000 0.916) 5.579 19.704 ( 72.566 -0.000 -1.929) 72.592 ======================= Grid point 204 (59/324) ======================= q-point: ( 0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 9.021 -19.127 12.033) 24.331 0.818 ( 7.201 -17.030 16.140) 24.543 1.262 ( -0.449 -25.596 25.691) 36.268 1.995 ( 5.098 1.102 -13.502) 14.474 2.206 ( 5.015 -8.994 -11.479) 15.421 2.359 ( 0.273 6.545 5.121) 8.315 2.693 ( -1.719 -1.290 -1.423) 2.578 2.725 ( 1.215 -1.823 0.817) 2.338 3.244 ( -8.656 1.069 7.762) 11.676 3.375 ( 8.860 1.539 3.203) 9.546 3.630 ( -1.859 -8.423 1.565) 8.767 3.985 ( 0.404 4.141 -12.652) 13.318 4.509 ( 0.127 3.301 4.367) 5.475 4.652 ( -0.940 -5.358 -0.400) 5.455 4.708 ( -1.262 -4.826 -0.662) 5.032 4.954 ( -0.351 -9.693 -7.966) 12.551 5.116 ( 6.158 -13.844 -7.832) 17.056 5.374 ( -8.462 0.678 0.891) 8.536 5.615 ( -7.031 3.785 -3.835) 8.858 5.671 ( -0.140 3.524 1.745) 3.935 5.935 ( 0.923 8.687 7.521) 11.527 11.308 ( -9.485 -60.275 -31.379) 68.613 11.873 ( -1.960 3.690 -3.661) 5.556 12.322 ( 0.005 -0.866 -2.008) 2.187 14.129 ( 4.062 4.104 4.332) 7.219 19.034 ( 6.548 52.163 29.299) 60.186 19.306 ( 10.893 12.873 6.435) 18.049 ======================= Grid point 205 (60/324) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 3.493 -15.836 14.817) 21.966 1.264 ( 7.471 -20.426 7.379) 22.968 1.876 ( 3.659 -27.117 10.229) 29.212 1.984 ( 3.542 -4.325 -10.954) 12.298 2.303 ( -3.838 -5.080 -4.449) 7.767 2.381 ( 1.760 -6.411 -1.569) 6.831 2.704 ( -1.388 -3.143 -2.325) 4.148 2.765 ( -3.370 -1.806 4.708) 6.065 3.240 ( -2.646 -1.967 2.189) 3.957 3.420 ( 6.015 0.265 5.102) 7.892 3.824 ( 0.824 -10.700 1.642) 10.857 3.834 ( -4.604 4.238 -10.254) 12.012 4.465 ( 1.051 4.143 4.648) 6.315 4.757 ( -1.648 -7.016 -0.364) 7.216 4.782 ( -0.126 -3.387 -2.029) 3.950 5.027 ( -2.121 -6.055 -5.103) 8.198 5.290 ( 2.508 2.852 0.704) 3.862 5.396 ( -2.304 -11.255 -7.654) 13.805 5.494 ( -4.570 3.409 -2.059) 6.062 5.605 ( -0.031 3.509 1.815) 3.951 5.841 ( 3.787 6.422 4.002) 8.461 11.752 ( -2.820 5.191 -4.491) 7.420 11.995 ( -12.210 -35.408 -27.964) 46.742 12.347 ( 2.830 -3.454 -3.658) 5.772 14.076 ( 7.465 6.993 2.555) 10.543 18.418 ( 2.175 31.547 31.764) 44.821 19.193 ( 2.466 7.857 2.352) 8.565 ======================= Grid point 206 (61/324) ======================= q-point: ( 0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 3.231 -13.791 13.429) 19.519 1.668 ( 0.943 -16.953 3.229) 17.283 2.064 ( 4.416 -7.639 -3.899) 9.646 2.211 ( -2.666 -7.809 -6.517) 10.514 2.439 ( 1.656 -1.702 -6.519) 6.938 2.511 ( -5.541 -16.878 -1.848) 17.861 2.789 ( -4.610 -3.633 7.237) 9.318 2.874 ( 1.010 -13.628 4.419) 14.362 3.294 ( 0.214 -3.755 -1.594) 4.085 3.466 ( 2.366 0.587 7.209) 7.610 3.667 ( -0.593 4.992 -10.023) 11.213 4.060 ( -0.833 -11.761 3.790) 12.385 4.407 ( 1.822 5.518 5.358) 7.904 4.808 ( 0.006 -1.584 -3.966) 4.271 4.882 ( -1.175 -7.666 -1.065) 7.829 5.108 ( 1.059 -4.295 -5.047) 6.712 5.227 ( 1.125 3.760 -0.370) 3.942 5.417 ( -3.646 -0.163 -2.013) 4.168 5.471 ( -0.100 1.298 -0.282) 1.332 5.628 ( -1.713 -4.017 1.697) 4.685 5.777 ( 1.036 2.643 1.698) 3.307 11.619 ( -1.027 5.736 -2.793) 6.462 12.215 ( -3.825 -4.755 -6.854) 9.177 12.503 ( -2.441 -17.056 -19.424) 25.964 13.983 ( 5.639 7.648 1.476) 9.616 18.135 ( -1.617 13.849 20.365) 24.680 19.057 ( 1.885 9.331 2.262) 9.785 ======================= Grid point 207 (62/324) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 4.130 -11.857 11.482) 17.015 1.874 ( -4.141 -6.516 0.455) 7.734 2.258 ( -1.743 -7.135 0.365) 7.354 2.298 ( -3.131 -11.768 -7.412) 14.256 2.426 ( 1.290 -1.916 -7.139) 7.504 2.687 ( -6.399 -7.525 -2.255) 10.132 2.850 ( -2.142 -2.578 3.707) 4.998 3.140 ( -1.612 -5.847 2.713) 6.644 3.362 ( -5.684 -6.184 0.989) 8.457 3.491 ( 6.412 -0.468 -3.293) 7.223 3.656 ( 4.064 -7.423 1.556) 8.605 4.218 ( 1.967 -0.344 4.731) 5.135 4.362 ( 1.587 0.831 4.933) 5.248 4.828 ( 0.774 -3.058 -4.613) 5.588 5.012 ( -0.315 -7.496 -1.635) 7.679 5.124 ( 3.560 1.279 -3.123) 4.906 5.180 ( 2.381 1.726 -1.926) 3.515 5.412 ( -2.798 -1.402 -1.123) 3.325 5.468 ( -1.848 -2.078 -0.323) 2.800 5.634 ( -3.594 2.197 3.743) 5.635 5.794 ( -1.656 -2.392 1.281) 3.179 11.525 ( 0.308 2.965 -0.874) 3.107 12.185 ( 2.387 4.629 -1.559) 5.437 12.677 ( -4.912 -13.888 -19.917) 24.773 13.876 ( 2.302 7.139 1.243) 7.603 18.040 ( -2.564 3.693 11.202) 12.070 18.892 ( 1.148 10.732 2.236) 11.023 ======================= Grid point 208 (63/324) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -2.810 -1.312 2.402) 3.923 2.062 ( 3.134 -8.720 8.156) 12.345 2.266 ( -3.304 -1.340 -5.099) 6.222 2.471 ( -4.737 -9.194 -3.937) 11.066 2.485 ( -3.298 -3.131 -3.450) 5.708 2.692 ( -7.704 -0.549 1.757) 7.921 2.969 ( 3.584 -9.190 2.428) 10.159 3.165 ( 0.126 -0.671 -2.367) 2.464 3.416 ( -6.889 -2.211 1.627) 7.415 3.530 ( 3.697 -3.714 -6.560) 8.396 3.874 ( 3.354 -5.149 4.254) 7.474 4.199 ( 7.123 2.753 5.333) 9.314 4.401 ( 0.331 -0.724 1.521) 1.716 4.884 ( 2.061 -3.166 -1.632) 4.115 5.103 ( 0.980 -1.416 -2.325) 2.894 5.145 ( 1.496 -5.107 1.020) 5.419 5.178 ( 3.699 -1.498 -3.445) 5.272 5.419 ( -1.793 -1.151 -1.807) 2.794 5.497 ( -2.157 -1.989 -0.542) 2.984 5.590 ( -5.237 1.094 2.507) 5.908 5.808 ( -2.347 0.965 2.305) 3.428 11.519 ( 1.040 -1.929 0.960) 2.392 12.068 ( 3.223 8.661 -1.827) 9.421 12.810 ( -2.597 -12.052 -13.754) 18.471 13.751 ( -0.898 7.699 1.406) 7.877 18.055 ( -1.924 -2.227 5.155) 5.936 18.697 ( 0.032 11.830 1.581) 11.935 ======================= Grid point 209 (64/324) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -0.599 0.486 4.348) 4.416 2.140 ( 0.235 0.496 -3.936) 3.974 2.349 ( 0.447 -6.283 6.079) 8.754 2.376 ( -7.560 5.350 1.142) 9.331 2.616 ( -2.438 -9.811 -6.766) 12.165 2.715 ( -0.443 -1.174 2.847) 3.111 3.155 ( 1.783 -0.365 -4.893) 5.221 3.190 ( 2.525 -8.866 2.711) 9.609 3.405 ( -7.050 -1.324 -0.259) 7.178 3.603 ( -1.218 -5.488 -5.465) 7.840 3.846 ( 2.710 8.078 4.708) 9.735 4.246 ( 6.962 1.710 1.057) 7.246 4.403 ( 0.153 0.499 -0.174) 0.550 4.950 ( 1.114 -2.838 2.160) 3.736 5.129 ( 0.311 -1.776 -0.417) 1.851 5.233 ( 3.231 -3.688 -2.178) 5.365 5.272 ( 2.500 -6.254 0.410) 6.748 5.407 ( -1.348 0.400 -2.729) 3.070 5.513 ( -1.761 -1.086 -0.041) 2.069 5.558 ( -3.818 0.535 0.373) 3.874 5.756 ( -2.234 4.095 2.332) 5.215 11.607 ( 0.400 -6.017 1.769) 6.284 11.904 ( 1.885 9.093 -2.049) 9.510 12.985 ( 0.902 -12.824 -6.770) 14.529 13.603 ( -2.086 8.013 2.265) 8.584 18.140 ( -0.635 -5.912 1.725) 6.191 18.475 ( -1.054 12.454 0.037) 12.498 ======================= Grid point 210 (65/324) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 1.865 2.714 2.598) 4.195 2.120 ( -0.300 -0.367 -0.797) 0.928 2.278 ( -0.886 1.780 -0.500) 2.050 2.465 ( 1.989 -0.798 6.564) 6.905 2.721 ( 0.198 -2.584 -3.982) 4.751 2.738 ( 1.974 -1.784 2.757) 3.832 3.119 ( 1.514 1.764 -6.484) 6.888 3.310 ( -2.530 -0.078 4.621) 5.269 3.434 ( -6.218 -7.614 -3.163) 10.327 3.585 ( -0.111 5.558 -2.225) 5.988 3.799 ( 1.076 -1.423 2.131) 2.779 4.197 ( 3.394 5.285 -1.637) 6.491 4.394 ( 0.164 0.353 -0.509) 0.640 4.993 ( -1.033 -0.375 2.851) 3.056 5.152 ( -0.838 -0.155 -0.031) 0.853 5.288 ( 1.080 -0.681 -0.300) 1.312 5.334 ( -0.892 1.896 -0.841) 2.258 5.446 ( 3.250 -6.671 -0.723) 7.456 5.510 ( -3.668 -0.213 -0.635) 3.728 5.537 ( 2.262 0.957 -0.535) 2.513 5.678 ( -0.500 3.772 1.516) 4.096 11.679 ( -0.290 3.745 0.546) 3.796 11.812 ( -0.779 -4.212 -0.486) 4.311 13.223 ( 2.662 -13.835 -2.074) 14.240 13.476 ( -0.003 6.347 3.775) 7.384 18.218 ( -1.561 10.224 -0.578) 10.359 18.291 ( 0.451 -6.154 -1.108) 6.269 ======================= Grid point 211 (66/324) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.862 4.424 -1.404) 4.721 2.137 ( 3.403 1.671 6.510) 7.534 2.286 ( 4.973 -0.858 -3.505) 6.144 2.469 ( 2.645 1.786 2.633) 4.138 2.695 ( 1.396 3.895 -2.402) 4.784 2.801 ( 4.773 0.173 6.392) 7.979 3.035 ( -0.354 5.876 -4.896) 7.657 3.244 ( -1.787 5.249 -0.694) 5.588 3.458 ( -1.916 1.916 -0.251) 2.721 3.571 ( -2.003 -6.637 -3.965) 7.986 3.841 ( -3.849 -1.143 4.934) 6.361 4.104 ( -0.745 4.495 -3.238) 5.590 4.383 ( -0.113 0.903 -0.504) 1.040 4.992 ( -1.586 0.546 2.586) 3.082 5.116 ( -3.036 2.298 -0.862) 3.904 5.245 ( 0.005 3.969 -0.446) 3.994 5.296 ( 0.304 1.897 0.431) 1.969 5.467 ( -1.375 1.349 -3.432) 3.935 5.517 ( 2.576 1.586 0.313) 3.042 5.590 ( 1.518 -2.359 3.940) 4.836 5.656 ( 3.752 -1.448 -1.643) 4.344 11.574 ( -0.386 4.926 0.808) 5.007 11.946 ( -2.688 -9.029 -0.775) 9.452 13.403 ( 4.330 3.193 0.244) 5.385 13.487 ( 1.357 -11.883 4.078) 12.637 17.971 ( -1.929 12.514 -3.445) 13.123 18.468 ( 1.315 -10.549 0.005) 10.631 ======================= Grid point 212 (67/324) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -0.967 8.035 -2.301) 8.414 2.101 ( 6.748 10.114 6.661) 13.864 2.282 ( 4.442 2.032 -1.416) 5.086 2.518 ( 4.822 -1.653 -4.976) 7.124 2.589 ( -0.657 3.351 -0.946) 3.544 2.809 ( 2.494 7.589 6.268) 10.154 2.892 ( 4.223 4.819 2.153) 6.760 3.126 ( 2.107 7.073 -4.663) 8.730 3.420 ( 1.244 2.877 -1.539) 3.492 3.619 ( -6.566 -0.454 -1.806) 6.825 3.860 ( -4.408 -1.725 6.052) 7.683 3.993 ( -6.178 3.122 -1.595) 7.103 4.343 ( -0.919 3.148 -0.292) 3.292 4.980 ( -0.563 1.960 1.942) 2.816 5.061 ( -2.490 0.238 -2.312) 3.406 5.193 ( 0.157 0.806 -0.752) 1.114 5.264 ( 0.719 1.976 1.061) 2.355 5.415 ( 1.783 2.272 -4.624) 5.452 5.495 ( 2.454 2.210 0.562) 3.350 5.602 ( -0.022 1.873 4.145) 4.548 5.725 ( 3.782 -2.353 -0.873) 4.539 11.533 ( 0.227 -0.116 1.636) 1.656 12.084 ( -2.654 -8.128 -1.866) 8.752 13.366 ( 8.858 5.119 -0.733) 10.257 13.716 ( -2.176 -10.897 3.637) 11.692 17.719 ( -1.703 11.760 -4.246) 12.619 18.678 ( 0.975 -11.245 0.952) 11.327 ======================= Grid point 213 (68/324) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -1.607 13.870 -0.751) 13.983 1.894 ( 4.911 17.514 0.138) 18.190 2.220 ( 5.728 8.539 2.782) 10.652 2.454 ( -2.490 -0.177 -6.902) 7.339 2.600 ( 1.082 3.146 -3.392) 4.752 2.716 ( -2.316 1.476 8.330) 8.771 2.883 ( 11.130 9.323 3.682) 14.979 2.959 ( 1.318 7.690 -3.101) 8.396 3.269 ( -1.802 11.501 -3.238) 12.083 3.520 ( -5.653 5.824 3.471) 8.827 3.898 ( -1.291 -2.269 -6.507) 7.011 3.982 ( -2.409 -3.994 8.050) 9.304 4.259 ( -3.499 4.193 0.137) 5.463 4.934 ( -0.476 2.655 0.482) 2.740 5.025 ( -0.966 3.389 -0.487) 3.557 5.209 ( -1.162 -1.908 -1.281) 2.575 5.274 ( 0.749 -3.919 -0.529) 4.025 5.361 ( 4.647 3.926 -3.891) 7.221 5.479 ( 1.600 0.419 0.192) 1.665 5.583 ( -0.952 1.386 3.721) 4.083 5.758 ( 2.911 0.289 -0.083) 2.927 11.593 ( 0.784 -4.888 1.619) 5.209 12.195 ( -1.074 -6.022 -2.128) 6.477 13.283 ( 13.300 9.481 -5.198) 17.141 13.895 ( -6.847 -9.812 3.313) 12.415 17.489 ( -1.051 10.667 -2.484) 11.003 18.890 ( -0.317 -10.757 1.914) 10.930 ======================= Grid point 214 (69/324) ======================= q-point: (-0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -1.819 18.425 1.692) 18.592 1.524 ( 3.897 24.422 -1.272) 24.763 2.105 ( 0.914 5.626 -2.752) 6.329 2.407 ( -0.922 3.525 -2.679) 4.523 2.495 ( -2.101 15.824 -2.258) 16.122 2.521 ( -3.336 18.456 6.294) 19.783 2.726 ( -2.954 1.199 7.661) 8.298 2.884 ( 2.972 4.973 -2.024) 6.137 3.148 ( 6.131 0.004 -5.151) 8.008 3.383 ( -2.030 8.174 3.551) 9.140 3.872 ( 4.498 2.935 -7.015) 8.835 4.117 ( 0.652 -3.528 8.324) 9.064 4.183 ( -5.787 -1.672 -1.081) 6.120 4.885 ( -0.498 2.673 -0.619) 2.788 4.923 ( -1.277 6.645 0.822) 6.817 5.225 ( -0.405 -0.794 -0.552) 1.048 5.264 ( 2.548 6.361 -3.374) 7.638 5.389 ( 1.444 -6.413 0.140) 6.575 5.511 ( 1.331 -2.464 0.399) 2.829 5.591 ( -0.288 -2.011 0.040) 2.032 5.758 ( 0.431 0.308 0.577) 0.783 11.716 ( 0.295 -7.078 0.494) 7.101 12.271 ( 1.579 -2.934 -1.381) 3.607 13.102 ( 18.778 15.705 -12.823) 27.635 14.041 ( -13.255 -11.095 1.682) 17.367 17.311 ( 1.535 8.800 5.665) 10.578 19.078 ( -2.145 -9.268 2.476) 9.829 ======================= Grid point 215 (70/324) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -1.290 20.177 6.622) 21.275 1.058 ( 2.606 27.460 0.886) 27.597 1.806 ( -12.882 33.723 6.643) 36.706 2.069 ( 0.705 5.638 -2.442) 6.184 2.319 ( -0.830 4.583 0.213) 4.663 2.409 ( 2.232 6.345 -4.288) 7.976 2.712 ( -0.762 2.276 5.497) 5.998 2.792 ( 2.615 4.806 -4.788) 7.270 3.202 ( 2.302 -3.827 -1.617) 4.749 3.272 ( 2.714 5.249 4.254) 7.282 3.770 ( 2.952 8.007 -1.052) 8.599 4.110 ( -4.048 -1.800 -7.461) 8.677 4.315 ( 1.886 -6.416 7.190) 9.820 4.786 ( -0.896 7.203 0.613) 7.285 4.820 ( -0.930 4.336 -0.509) 4.464 5.142 ( 0.827 5.527 -3.447) 6.566 5.210 ( 4.432 4.201 -1.293) 6.242 5.497 ( 1.967 -3.261 -2.010) 4.307 5.562 ( 2.270 -2.364 1.608) 3.651 5.659 ( -2.871 -6.841 -4.236) 8.543 5.784 ( -6.365 -4.649 3.833) 8.764 11.839 ( -0.885 -6.265 -1.384) 6.477 12.300 ( 6.394 1.900 -2.177) 7.017 12.752 ( 21.735 26.058 -30.942) 45.922 14.173 ( -23.530 -13.678 -2.208) 27.306 17.317 ( 13.512 -0.259 32.839) 35.511 19.222 ( -3.970 -6.881 2.478) 8.322 ======================= Grid point 216 (71/324) ======================= q-point: (-0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 1.699 21.992 9.316) 23.944 0.624 ( 0.077 18.753 15.875) 24.570 1.119 ( -14.004 35.252 20.695) 43.210 2.042 ( 5.484 -2.207 -8.198) 10.107 2.251 ( 3.913 6.781 -8.566) 11.604 2.281 ( 1.786 0.578 3.852) 4.285 2.685 ( -1.579 3.348 7.248) 8.139 2.721 ( 5.639 1.599 -7.814) 9.768 3.236 ( -1.868 1.149 8.159) 8.449 3.295 ( 1.987 -3.618 0.133) 4.130 3.628 ( 0.130 7.546 0.853) 7.595 4.095 ( -0.697 -2.344 -11.212) 11.476 4.455 ( 0.860 -4.566 6.131) 7.693 4.662 ( -0.729 5.747 0.260) 5.799 4.723 ( -0.813 4.922 -0.112) 4.990 5.011 ( 7.945 13.645 -11.536) 19.555 5.091 ( 3.830 7.009 -1.491) 8.125 5.490 ( -4.500 -0.029 -5.076) 6.784 5.652 ( 1.423 -3.736 1.373) 4.227 5.727 ( -4.587 -4.202 -4.676) 7.782 5.936 ( -17.081 -16.183 8.063) 24.873 11.735 ( 15.737 63.652 -55.137) 85.670 11.939 ( 0.348 2.998 -7.045) 7.664 12.349 ( -1.839 1.796 -3.182) 4.090 14.221 ( -30.322 -8.576 -5.300) 31.954 18.114 ( 57.900 -50.411 76.251) 108.203 19.306 ( -5.539 -3.852 2.018) 7.042 ======================= Grid point 218 (72/324) ======================= q-point: ( 0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 21.202 -0.000 12.928) 24.832 0.719 ( 5.699 -0.000 20.455) 21.234 1.204 ( 5.781 -0.000 32.548) 33.058 1.985 ( 5.635 -0.000 -14.827) 15.862 2.068 ( 6.491 -0.000 -14.355) 15.755 2.469 ( -6.207 0.000 -1.906) 6.493 2.674 ( -5.399 0.000 7.380) 9.144 2.707 ( 5.987 -0.000 -7.497) 9.594 3.243 ( -14.060 0.000 9.776) 17.125 3.481 ( 11.954 -0.000 3.606) 12.486 3.535 ( -1.100 0.000 -0.734) 1.322 3.991 ( 2.671 -0.000 -15.086) 15.321 4.561 ( -0.711 0.000 2.083) 2.202 4.574 ( 0.261 -0.000 -0.258) 0.367 4.642 ( -2.662 0.000 0.113) 2.665 4.728 ( 3.143 -0.000 0.182) 3.148 5.003 ( -1.859 0.000 -2.656) 3.242 5.370 ( -2.028 0.000 2.387) 3.132 5.593 ( -8.188 0.000 -2.895) 8.685 5.712 ( 0.751 -0.000 1.012) 1.260 6.080 ( 2.379 -0.000 7.004) 7.397 10.553 ( 0.068 -0.000 4.419) 4.420 11.885 ( -0.673 0.000 -3.397) 3.463 12.298 ( -0.574 0.000 -2.465) 2.531 14.230 ( 10.316 -0.000 3.662) 10.946 19.213 ( -13.108 0.000 -1.423) 13.185 19.957 ( 2.193 -0.000 -4.416) 4.931 ======================= Grid point 219 (73/324) ======================= q-point: ( 0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 9.773 -12.643 13.812) 21.121 1.059 ( 12.635 -15.442 12.474) 23.530 1.522 ( 5.879 -16.648 22.565) 28.651 1.928 ( 7.193 0.061 -15.093) 16.719 2.142 ( 4.106 -7.960 -14.181) 16.772 2.364 ( -4.679 3.749 3.757) 7.075 2.663 ( -2.248 0.114 -0.732) 2.367 2.732 ( -0.869 -1.917 0.251) 2.120 3.195 ( -12.222 -0.260 5.985) 13.611 3.519 ( 10.218 2.659 3.875) 11.247 3.613 ( -4.756 -8.490 2.602) 10.073 3.879 ( 1.783 4.607 -12.585) 13.520 4.536 ( -0.415 1.982 2.050) 2.882 4.637 ( -0.910 -4.830 -0.695) 4.964 4.689 ( -0.901 -5.295 -0.486) 5.393 4.886 ( -1.793 -7.467 -3.897) 8.611 5.078 ( -0.331 -13.303 -5.217) 14.293 5.359 ( 1.242 2.097 1.593) 2.912 5.511 ( -7.467 2.631 -1.780) 8.115 5.689 ( 1.358 3.459 0.730) 3.787 6.037 ( 5.976 8.483 5.378) 11.687 11.033 ( -7.733 -41.491 -10.505) 43.493 11.838 ( 0.996 3.326 -2.537) 4.300 12.302 ( 0.047 -1.844 -2.351) 2.988 14.256 ( 11.636 5.193 1.975) 12.894 18.991 ( -20.757 16.927 2.860) 26.937 19.567 ( 8.352 27.678 11.304) 31.042 ======================= Grid point 220 (74/324) ======================= q-point: ( 0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 4.013 -15.104 12.653) 20.108 1.428 ( 8.370 -13.353 10.053) 18.693 1.905 ( 2.001 -9.112 -10.681) 14.182 2.048 ( 11.724 -15.156 5.560) 19.952 2.180 ( -5.979 -5.830 -8.347) 11.807 2.393 ( 0.964 -4.104 0.387) 4.234 2.678 ( -2.897 -5.087 0.837) 5.913 2.761 ( -3.749 -2.507 2.997) 5.415 3.202 ( -6.099 -4.061 0.170) 7.329 3.548 ( 7.301 1.871 5.846) 9.538 3.694 ( -5.834 1.850 -7.408) 9.609 3.850 ( 1.788 -9.627 0.701) 9.817 4.504 ( 0.355 2.636 2.263) 3.492 4.735 ( -1.271 -6.841 -0.968) 7.025 4.766 ( 0.010 -2.435 -1.212) 2.720 4.967 ( -1.571 -7.098 -3.384) 8.019 5.284 ( -3.825 -3.697 -1.120) 5.436 5.345 ( 2.549 -3.623 -3.397) 5.582 5.432 ( -4.466 -0.155 -0.697) 4.523 5.622 ( 0.974 4.147 0.941) 4.362 5.922 ( 4.869 8.924 3.064) 10.618 11.585 ( -9.955 -22.051 -12.780) 27.362 11.805 ( 0.886 -6.906 -4.623) 8.358 12.339 ( 1.440 -2.821 -3.175) 4.484 14.186 ( 9.535 8.978 0.486) 13.106 18.519 ( -15.954 21.706 11.079) 29.128 19.306 ( 8.165 14.083 7.368) 17.869 ======================= Grid point 221 (75/324) ======================= q-point: ( 0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.417 -13.285 10.442) 16.903 1.727 ( 4.622 -10.492 6.404) 13.133 2.028 ( -1.010 -10.658 -10.730) 15.158 2.144 ( -0.173 -3.606 -1.862) 4.062 2.397 ( 0.793 -1.719 -4.558) 4.936 2.468 ( -0.402 -11.554 -1.151) 11.618 2.776 ( -6.637 -4.599 3.336) 8.736 2.935 ( 1.128 -15.541 6.253) 16.790 3.243 ( -5.669 -3.626 -1.996) 7.020 3.534 ( 0.960 3.631 -3.773) 5.324 3.628 ( 5.406 -0.312 1.650) 5.661 4.090 ( -0.203 -12.491 3.868) 13.078 4.461 ( 0.867 3.788 3.312) 5.106 4.777 ( 0.778 -0.797 -3.354) 3.534 4.860 ( -0.300 -7.820 -1.855) 8.043 5.086 ( 1.079 -5.906 -2.740) 6.600 5.239 ( 1.820 3.592 -0.476) 4.054 5.356 ( -4.923 -1.295 -1.258) 5.244 5.460 ( -0.935 0.743 -0.720) 1.395 5.622 ( -2.250 -3.955 1.849) 4.912 5.806 ( 1.430 5.847 1.549) 6.215 11.599 ( 0.829 3.994 -1.192) 4.250 12.081 ( -5.353 -17.958 -8.719) 20.668 12.380 ( 0.580 -3.968 -8.420) 9.326 14.054 ( 5.905 9.657 -0.165) 11.320 18.191 ( -10.649 11.065 8.106) 17.365 19.133 ( 5.187 12.450 4.926) 14.358 ======================= Grid point 222 (76/324) ======================= q-point: ( 0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -4.410 -6.882 1.742) 8.357 1.950 ( 5.325 -9.153 11.075) 15.323 2.144 ( -4.914 -8.963 -9.599) 14.022 2.269 ( -1.567 -5.752 -0.382) 5.974 2.393 ( 2.366 -3.893 -4.458) 6.374 2.612 ( -7.101 -4.894 2.261) 8.915 2.850 ( -2.419 -6.112 1.336) 6.708 3.124 ( -4.481 -2.296 -0.047) 5.035 3.319 ( -4.006 -7.123 3.268) 8.802 3.490 ( 4.197 -0.207 -8.010) 9.045 3.757 ( 7.476 -8.529 4.025) 12.035 4.276 ( 1.706 -3.881 3.572) 5.543 4.417 ( 0.909 2.437 3.908) 4.694 4.809 ( 2.669 -3.999 -3.210) 5.781 4.995 ( 0.673 -7.440 -2.464) 7.866 5.138 ( 1.973 -0.382 -1.042) 2.264 5.195 ( 4.015 2.190 -2.127) 5.043 5.364 ( -4.397 -2.449 -0.777) 5.092 5.440 ( -2.925 -1.108 -0.146) 3.132 5.625 ( -3.386 3.169 2.795) 5.415 5.785 ( -2.270 -2.092 1.314) 3.355 11.542 ( 2.500 2.581 1.197) 3.788 12.197 ( 2.047 2.597 -1.300) 3.553 12.476 ( -4.065 -14.356 -13.337) 20.012 13.904 ( 1.769 8.871 -0.069) 9.046 18.054 ( -6.794 2.293 3.788) 8.110 18.940 ( 2.586 12.988 3.350) 13.660 ======================= Grid point 223 (77/324) ======================= q-point: ( 0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -2.214 -3.496 3.726) 5.569 2.148 ( 1.786 0.598 -1.279) 2.277 2.216 ( -2.405 -10.054 4.255) 11.179 2.361 ( -2.499 -9.979 -7.154) 12.530 2.422 ( -6.362 2.042 -0.194) 6.685 2.664 ( -4.472 -4.542 5.532) 8.440 3.017 ( 2.301 -10.965 0.947) 11.244 3.126 ( -1.914 -1.844 -4.397) 5.138 3.377 ( -4.576 -0.207 4.650) 6.527 3.493 ( 2.134 -2.320 -8.217) 8.801 3.944 ( 3.729 -2.682 2.315) 5.144 4.314 ( 6.570 0.964 3.130) 7.342 4.414 ( 0.042 0.552 0.808) 0.979 4.908 ( 3.377 -4.477 0.530) 5.633 5.090 ( 0.688 -3.031 -1.986) 3.688 5.179 ( 1.826 -4.439 1.110) 4.926 5.191 ( 4.781 -1.042 -3.357) 5.935 5.378 ( -2.718 -1.490 -1.737) 3.553 5.455 ( -5.377 -2.327 0.274) 5.866 5.565 ( -2.535 1.796 1.277) 3.359 5.796 ( -3.461 0.620 2.068) 4.079 11.553 ( 2.406 -1.477 2.198) 3.578 12.076 ( 2.203 9.001 -3.057) 9.758 12.698 ( -0.944 -15.442 -6.504) 16.783 13.747 ( -1.465 8.375 0.558) 8.520 18.050 ( -3.647 -3.347 0.859) 5.024 18.715 ( 0.334 13.665 1.645) 13.768 ======================= Grid point 224 (78/324) ======================= q-point: ( 0.50 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 0.990 -0.692 6.527) 6.638 2.097 ( -0.345 0.765 -4.094) 4.179 2.308 ( -5.251 3.148 -0.667) 6.159 2.415 ( -1.630 -8.140 5.560) 9.991 2.536 ( -0.715 -11.120 -4.349) 11.962 2.740 ( -1.113 -2.377 4.157) 4.916 3.117 ( 0.825 0.043 -6.185) 6.240 3.235 ( 2.130 -9.603 0.634) 9.857 3.346 ( -5.129 2.118 3.227) 6.420 3.530 ( -2.262 -4.984 -6.046) 8.155 3.905 ( 2.198 7.088 2.311) 7.773 4.320 ( 5.753 4.425 -0.298) 7.264 4.403 ( 0.325 0.685 -0.053) 0.760 4.992 ( 2.092 -1.718 3.123) 4.133 5.127 ( 0.272 -1.978 -0.601) 2.085 5.254 ( 3.926 -3.483 -1.887) 5.577 5.304 ( 2.215 -6.176 0.669) 6.595 5.368 ( -1.284 -0.546 -2.462) 2.830 5.462 ( -6.194 -1.772 0.055) 6.442 5.549 ( 0.556 -0.101 -0.178) 0.593 5.746 ( -3.324 3.406 1.943) 5.141 11.633 ( 1.100 -4.747 1.990) 5.264 11.898 ( 0.802 9.331 -2.513) 9.697 12.963 ( 2.065 -15.068 -1.939) 15.332 13.599 ( -2.026 6.761 1.730) 7.267 18.134 ( -1.139 -7.022 -0.445) 7.127 18.462 ( -1.202 13.966 -0.177) 14.019 ======================= Grid point 225 (79/324) ======================= q-point: (-0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 1.756 4.757 1.165) 5.202 2.131 ( -0.364 -3.622 2.118) 4.211 2.277 ( 2.265 -1.227 -0.194) 2.583 2.522 ( -1.052 -1.250 3.956) 4.280 2.686 ( 1.439 -4.998 -3.957) 6.536 2.803 ( 2.208 -3.847 4.851) 6.573 3.076 ( 1.839 1.978 -6.702) 7.226 3.286 ( -6.438 1.874 0.432) 6.720 3.366 ( -3.761 -4.327 1.043) 5.827 3.557 ( 0.128 0.036 -2.608) 2.611 3.826 ( 0.484 1.496 1.470) 2.153 4.221 ( 3.663 7.768 -1.914) 8.799 4.393 ( 0.230 0.532 -0.192) 0.611 5.014 ( 0.090 0.945 3.007) 3.153 5.137 ( -1.745 1.243 -0.337) 2.168 5.297 ( 1.120 0.856 -0.345) 1.452 5.320 ( -0.415 0.802 -0.208) 0.926 5.442 ( -2.249 -1.612 -2.671) 3.845 5.491 ( 1.310 -6.450 1.091) 6.672 5.560 ( 2.485 -0.489 -0.816) 2.661 5.682 ( -1.049 2.231 1.390) 2.830 11.686 ( 0.293 5.120 0.950) 5.215 11.793 ( -1.444 -4.093 -0.980) 4.449 13.239 ( 2.865 -13.585 -1.276) 13.943 13.510 ( 0.039 3.168 3.343) 4.606 18.192 ( -1.731 13.627 -0.847) 13.763 18.287 ( 0.504 -9.428 -1.039) 9.499 ======================= Grid point 226 (80/324) ======================= q-point: (-0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.859 6.185 0.051) 6.245 2.215 ( 0.428 -4.912 1.437) 5.136 2.322 ( 6.593 2.757 0.779) 7.189 2.509 ( 1.224 1.132 1.445) 2.206 2.684 ( 1.144 3.957 -1.954) 4.559 2.933 ( 7.649 -2.283 6.707) 10.426 2.993 ( 0.385 5.593 -4.671) 7.297 3.211 ( -1.524 2.675 -2.655) 4.065 3.372 ( -8.729 -2.173 -2.469) 9.328 3.560 ( 1.199 -0.903 0.406) 1.554 3.839 ( -4.182 -1.190 3.988) 5.900 4.079 ( 0.966 7.897 -2.748) 8.417 4.379 ( -0.053 1.215 -0.040) 1.217 5.004 ( -0.622 0.970 2.621) 2.863 5.070 ( -3.476 3.070 -1.199) 4.790 5.244 ( 0.807 4.013 -1.090) 4.236 5.306 ( 0.119 1.404 0.965) 1.708 5.424 ( -0.644 0.388 -3.417) 3.498 5.542 ( 2.085 1.008 -0.462) 2.362 5.635 ( 0.165 -2.081 3.939) 4.458 5.680 ( 3.099 -2.420 -1.251) 4.126 11.579 ( -0.465 4.540 1.202) 4.719 11.910 ( -1.906 -8.154 -1.313) 8.476 13.411 ( 4.028 -3.075 -6.460) 8.210 13.558 ( 0.315 -6.912 6.667) 9.609 17.930 ( -1.349 13.156 -0.965) 13.260 18.481 ( 1.050 -11.097 0.061) 11.147 ======================= Grid point 227 (81/324) ======================= q-point: (-0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 0.015 9.129 0.650) 9.153 2.193 ( 3.052 11.787 -1.144) 12.230 2.329 ( 2.861 -4.471 3.905) 6.590 2.498 ( 3.092 9.009 -4.655) 10.601 2.587 ( -0.020 0.106 -0.087) 0.139 2.831 ( -1.563 8.166 1.108) 8.387 3.021 ( 9.171 1.011 2.804) 9.643 3.135 ( 6.102 7.098 -0.670) 9.384 3.360 ( -4.903 -0.873 -7.564) 9.056 3.564 ( -5.416 1.163 4.149) 6.921 3.851 ( -4.020 0.694 1.865) 4.485 3.939 ( -4.158 2.093 2.304) 5.194 4.335 ( -0.505 3.754 0.432) 3.813 4.990 ( -0.959 3.148 0.782) 3.382 5.019 ( -0.905 -1.650 -1.612) 2.477 5.184 ( 1.036 1.561 -2.437) 3.074 5.270 ( -0.950 2.253 -0.215) 2.455 5.403 ( 2.841 0.725 -2.822) 4.069 5.522 ( 1.978 2.069 -0.192) 2.869 5.633 ( -1.222 2.186 4.098) 4.802 5.756 ( 2.518 -2.434 0.047) 3.502 11.547 ( -0.374 -0.657 1.226) 1.440 12.044 ( -1.150 -8.102 -2.131) 8.456 13.405 ( 6.872 2.238 -9.237) 11.728 13.726 ( -2.931 -7.965 3.992) 9.379 17.696 ( -0.056 11.891 1.947) 12.049 18.694 ( 0.356 -11.269 0.894) 11.310 ======================= Grid point 228 (82/324) ======================= q-point: (-0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.174 14.026 2.328) 14.219 1.940 ( 3.008 17.730 0.003) 17.983 2.259 ( 1.020 12.253 -4.055) 12.946 2.424 ( 2.287 -1.764 2.335) 3.714 2.567 ( 0.191 3.271 -5.520) 6.419 2.739 ( -3.710 1.352 4.729) 6.161 2.958 ( 3.018 11.619 1.112) 12.056 3.023 ( 4.410 12.152 2.258) 13.123 3.222 ( 2.209 6.540 -4.886) 8.457 3.498 ( -6.328 4.575 5.486) 9.544 3.816 ( -1.358 -3.105 -8.022) 8.708 4.035 ( -1.907 -7.876 8.253) 11.566 4.237 ( -1.637 6.703 1.521) 7.066 4.927 ( -0.634 2.907 -0.967) 3.128 5.016 ( -0.127 2.961 -0.052) 2.964 5.187 ( -0.136 -2.202 -2.084) 3.035 5.243 ( -0.124 -1.916 -5.624) 5.943 5.398 ( 4.233 1.472 0.042) 4.482 5.492 ( 0.859 1.376 -0.273) 1.645 5.605 ( -1.785 1.504 4.348) 4.935 5.784 ( 1.553 0.615 0.254) 1.689 11.602 ( -0.622 -4.937 0.064) 4.976 12.172 ( 0.405 -6.962 -2.010) 7.258 13.310 ( 8.758 7.107 -15.833) 19.440 13.844 ( -6.451 -6.406 1.976) 9.303 17.528 ( 2.601 9.323 9.427) 13.511 18.897 ( -1.132 -10.380 1.328) 10.526 ======================= Grid point 229 (83/324) ======================= q-point: (-0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.267 17.720 6.016) 18.715 1.569 ( 4.208 24.505 1.022) 24.885 2.070 ( 0.607 7.139 -4.892) 8.676 2.365 ( -1.884 11.396 -4.712) 12.475 2.479 ( 1.790 4.246 -2.278) 5.140 2.551 ( -4.438 23.716 11.093) 26.556 2.762 ( -4.460 1.119 7.908) 9.148 2.859 ( 0.869 5.428 -6.417) 8.450 3.189 ( 8.174 0.844 -3.209) 8.822 3.399 ( -2.816 5.494 5.369) 8.182 3.844 ( 3.442 -2.329 -9.309) 10.195 4.086 ( -6.479 6.356 0.299) 9.081 4.231 ( 2.229 -7.445 8.305) 11.374 4.869 ( -0.475 2.551 -1.852) 3.188 4.915 ( -1.314 6.905 0.519) 7.048 5.215 ( 1.383 0.598 -4.447) 4.695 5.227 ( -1.146 0.554 -3.138) 3.386 5.428 ( 2.386 -3.325 2.187) 4.640 5.506 ( -0.624 -3.408 -1.981) 3.991 5.602 ( 0.381 0.612 1.935) 2.064 5.761 ( -0.411 1.618 0.105) 1.673 11.704 ( -1.302 -6.672 -1.724) 7.013 12.276 ( 1.369 -4.420 -1.176) 4.774 13.060 ( 6.810 15.484 -28.343) 33.007 13.925 ( -7.841 -6.286 1.470) 10.157 17.516 ( 8.556 1.540 24.848) 26.325 19.069 ( -2.704 -8.690 1.247) 9.186 ======================= Grid point 230 (84/324) ======================= q-point: (-0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 2.009 17.660 12.538) 21.751 1.134 ( 6.288 26.096 4.434) 27.207 1.785 ( -4.095 31.396 9.194) 32.970 2.040 ( 1.282 5.522 -6.474) 8.605 2.328 ( -0.956 5.030 2.551) 5.720 2.391 ( 2.551 7.352 -5.041) 9.272 2.745 ( 2.578 2.416 -2.030) 4.075 2.756 ( -5.023 2.717 2.031) 6.062 3.224 ( 1.869 -1.477 1.110) 2.628 3.336 ( 2.237 2.946 4.345) 5.706 3.795 ( 2.931 8.275 -0.424) 8.788 3.980 ( -5.707 -2.195 -8.825) 10.736 4.399 ( 1.820 -5.538 6.384) 8.646 4.776 ( -1.587 7.139 0.210) 7.316 4.802 ( -0.560 3.844 -1.567) 4.188 5.096 ( -1.261 5.540 -5.490) 7.901 5.250 ( 4.371 1.045 -0.570) 4.530 5.480 ( -0.820 3.015 -4.763) 5.696 5.573 ( -4.437 -5.782 -3.995) 8.311 5.589 ( -0.022 -2.332 0.946) 2.517 5.780 ( -0.467 -4.017 4.445) 6.009 11.803 ( -1.482 -5.904 -3.065) 6.816 12.328 ( 0.693 -1.113 -1.163) 1.752 12.469 ( -3.327 35.060 -45.240) 57.332 14.015 ( -4.053 -6.164 2.981) 7.957 17.916 ( 19.532 -23.564 47.134) 56.200 19.194 ( -3.363 -6.310 0.802) 7.195 ======================= Grid point 233 (85/324) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 10.672 -0.000 16.696) 19.815 0.992 ( 20.236 -0.000 9.565) 22.383 1.537 ( 8.476 -0.000 22.942) 24.458 1.908 ( 5.599 -0.000 -15.077) 16.084 2.015 ( 7.842 -0.000 -14.244) 16.260 2.388 ( -6.560 0.000 1.762) 6.793 2.665 ( -7.538 0.000 6.000) 9.634 2.690 ( 4.425 -0.000 -8.714) 9.774 3.140 ( -18.969 0.000 7.056) 20.238 3.511 ( -2.252 0.000 -0.506) 2.308 3.625 ( 7.857 -0.000 2.743) 8.323 3.888 ( 2.297 -0.000 -12.135) 12.351 4.563 ( -0.528 0.000 0.168) 0.554 4.573 ( -0.317 0.000 -0.316) 0.448 4.619 ( -1.562 0.000 0.250) 1.582 4.764 ( 3.132 -0.000 0.097) 3.134 4.963 ( -2.227 0.000 -0.647) 2.319 5.389 ( 0.377 -0.000 0.621) 0.726 5.490 ( -6.978 0.000 -0.363) 6.988 5.735 ( 2.819 -0.000 -0.081) 2.820 6.190 ( 6.547 -0.000 5.132) 8.319 10.591 ( -0.352 0.000 3.979) 3.994 11.869 ( 2.241 -0.000 -1.673) 2.796 12.270 ( -0.486 0.000 -2.168) 2.222 14.383 ( 12.991 -0.000 0.918) 13.023 18.996 ( -22.793 0.000 -3.833) 23.114 19.904 ( -5.975 0.000 1.554) 6.174 ======================= Grid point 234 (86/324) ======================= q-point: ( 0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 10.392 -7.785 12.363) 17.930 1.304 ( 13.321 -12.744 10.150) 21.044 1.727 ( 7.553 -6.447 -0.611) 9.949 1.916 ( 5.901 -5.505 1.508) 8.209 2.056 ( 5.924 -4.773 -13.330) 15.348 2.361 ( -2.122 -0.136 4.156) 4.668 2.620 ( -4.480 0.493 -1.111) 4.642 2.712 ( -1.835 -2.094 -1.119) 3.000 3.086 ( -14.975 -3.022 2.755) 15.523 3.563 ( -4.454 -6.532 -0.428) 7.918 3.643 ( 4.735 1.915 1.063) 5.217 3.816 ( 3.435 2.663 -5.389) 6.923 4.541 ( 0.085 1.185 -0.253) 1.215 4.618 ( -1.386 -4.526 -0.797) 4.800 4.684 ( -0.073 -5.789 0.431) 5.805 4.847 ( -1.056 -4.263 -1.361) 4.598 5.041 ( -0.703 -10.895 -1.366) 11.003 5.368 ( -3.842 1.111 -0.246) 4.007 5.440 ( -2.565 2.519 0.731) 3.669 5.716 ( 3.526 3.738 -0.219) 5.143 6.149 ( 6.754 9.368 3.781) 12.152 10.912 ( -4.762 -29.476 -2.818) 29.991 11.850 ( 3.627 3.044 -0.423) 4.754 12.282 ( 0.013 -2.327 -2.005) 3.072 14.393 ( 11.691 6.406 -0.274) 13.334 18.734 ( -26.108 11.514 -2.554) 28.648 19.697 ( 2.780 17.167 6.466) 18.554 ======================= Grid point 235 (87/324) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 4.458 -11.352 8.355) 14.783 1.622 ( 9.465 -9.817 10.274) 17.073 1.816 ( 2.282 -6.824 -13.142) 14.984 2.061 ( -1.882 -5.015 -6.616) 8.513 2.229 ( 11.067 -11.607 5.753) 17.038 2.400 ( 0.640 -1.298 -1.322) 1.960 2.638 ( -8.308 -6.318 2.408) 10.712 2.754 ( -0.933 -6.015 2.573) 6.609 3.117 ( -7.988 -5.643 -1.950) 9.973 3.559 ( -6.257 2.244 -5.151) 8.410 3.676 ( 7.264 -0.807 0.963) 7.372 3.882 ( 0.735 -9.384 3.831) 10.163 4.517 ( 0.448 1.555 -0.216) 1.633 4.714 ( -0.632 -6.892 -1.390) 7.059 4.762 ( -0.083 -1.270 0.689) 1.448 4.932 ( -0.856 -8.059 -1.761) 8.293 5.238 ( -1.937 -8.041 -1.492) 8.404 5.321 ( -4.912 1.013 0.183) 5.019 5.401 ( -0.544 -0.880 -0.191) 1.052 5.646 ( 2.479 5.109 0.392) 5.692 5.997 ( 4.641 11.200 1.948) 12.279 11.409 ( -6.573 -26.832 -5.826) 28.233 11.813 ( 3.443 1.424 -0.239) 3.734 12.322 ( 0.628 -2.424 -2.899) 3.831 14.283 ( 8.770 10.737 -1.048) 13.903 18.356 ( -20.789 12.773 -0.158) 24.400 19.454 ( 6.562 15.552 6.459) 18.073 ======================= Grid point 236 (88/324) ======================= q-point: ( 0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -1.090 -9.561 3.687) 10.305 1.840 ( 1.023 -8.726 -4.875) 10.048 1.938 ( 3.994 -8.124 3.655) 9.763 2.152 ( 2.005 -7.083 -0.023) 7.362 2.368 ( 0.945 1.141 -4.397) 4.640 2.475 ( 0.607 -8.052 1.997) 8.318 2.709 ( -8.201 -6.413 0.138) 10.411 2.999 ( -1.786 -11.702 5.862) 13.210 3.158 ( -4.891 -6.346 -1.265) 8.112 3.475 ( -0.210 0.774 -7.331) 7.375 3.735 ( 7.156 -1.241 3.130) 7.908 4.123 ( -0.603 -12.770 4.068) 13.415 4.485 ( 0.310 2.272 0.630) 2.378 4.772 ( 2.032 -0.590 -0.814) 2.267 4.844 ( 0.785 -7.981 -2.245) 8.328 5.074 ( -0.075 -6.864 -1.330) 6.992 5.259 ( 2.577 2.789 -0.276) 3.808 5.289 ( -5.968 -1.743 -0.319) 6.226 5.441 ( -1.285 0.271 -0.715) 1.495 5.615 ( -2.134 -2.283 1.966) 3.692 5.832 ( 1.266 8.349 0.773) 8.480 11.618 ( 2.520 0.788 1.311) 2.948 11.973 ( -3.592 -19.470 -4.040) 20.207 12.326 ( 0.433 0.633 -5.376) 5.431 14.107 ( 5.006 11.558 -0.972) 12.633 18.087 ( -13.236 5.972 -0.543) 14.531 19.235 ( 4.914 14.861 4.559) 16.303 ======================= Grid point 237 (89/324) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -2.867 -6.786 2.055) 7.648 1.974 ( -3.984 -11.358 -8.992) 15.025 2.135 ( 5.477 -5.583 7.829) 11.066 2.247 ( -1.357 -1.418 0.424) 2.008 2.379 ( 1.362 -3.466 -4.050) 5.502 2.580 ( -6.435 -4.178 7.209) 10.528 2.823 ( -2.948 -10.058 -0.578) 10.497 3.038 ( -7.621 -2.309 -3.226) 8.592 3.347 ( 0.046 -6.297 6.857) 9.310 3.453 ( 2.652 -0.551 -8.121) 8.561 3.862 ( 7.361 -7.215 0.862) 10.343 4.319 ( 0.898 -5.937 2.572) 6.533 4.446 ( 0.032 2.285 1.284) 2.621 4.833 ( 4.572 -4.762 -0.167) 6.604 4.985 ( 1.791 -7.375 -2.604) 8.024 5.142 ( 0.183 -1.716 -0.602) 1.828 5.225 ( 4.050 2.228 -1.428) 4.838 5.308 ( -4.522 -3.114 -0.259) 5.497 5.404 ( -3.786 0.367 0.304) 3.815 5.614 ( -2.311 3.467 1.791) 4.535 5.767 ( -2.902 -1.303 0.797) 3.279 11.596 ( 3.750 2.756 2.635) 5.348 12.203 ( 1.529 3.021 -1.751) 3.812 12.351 ( -2.949 -16.741 -5.720) 17.935 13.916 ( 1.027 10.584 -0.248) 10.637 17.982 ( -7.378 -0.697 -1.592) 7.580 18.996 ( 2.269 15.171 2.611) 15.561 ======================= Grid point 238 (90/324) ======================= q-point: ( 0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -0.268 -6.171 3.447) 7.073 2.101 ( -3.273 -4.478 -4.378) 7.067 2.190 ( -2.357 -4.746 -3.862) 6.557 2.351 ( -3.225 1.644 -0.566) 3.664 2.369 ( -0.054 -7.291 5.507) 9.137 2.677 ( -3.961 -5.070 6.697) 9.287 3.036 ( 1.323 -12.913 -1.307) 13.046 3.053 ( -3.176 -3.922 -4.278) 6.615 3.404 ( -1.646 2.357 7.999) 8.500 3.434 ( 1.540 -1.075 -8.533) 8.737 3.992 ( 3.080 -0.954 -0.014) 3.225 4.389 ( 4.515 -0.058 -0.357) 4.530 4.420 ( 0.343 0.829 0.817) 1.213 4.964 ( 4.185 -4.954 2.483) 6.944 5.085 ( 1.249 -3.097 -1.428) 3.632 5.192 ( 1.810 -4.406 -1.731) 5.068 5.226 ( 3.894 -1.864 -0.373) 4.334 5.335 ( -2.242 -1.667 -1.441) 3.143 5.392 ( -7.087 -1.637 1.159) 7.366 5.556 ( -0.383 1.494 0.106) 1.546 5.769 ( -4.380 0.398 1.316) 4.590 11.603 ( 2.619 -0.543 2.270) 3.509 12.064 ( 1.352 9.006 -3.332) 9.697 12.667 ( 0.146 -17.687 0.025) 17.688 13.734 ( -1.657 8.932 0.683) 9.110 18.003 ( -3.303 -5.344 -2.115) 6.629 18.729 ( 0.073 15.388 0.871) 15.413 ======================= Grid point 239 (91/324) ======================= q-point: ( 0.57 0.14 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 1.095 -2.249 4.448) 5.103 2.064 ( 0.127 1.683 -2.922) 3.374 2.257 ( -2.738 -2.350 0.266) 3.618 2.377 ( -5.517 -9.880 -1.410) 11.403 2.548 ( 2.021 -8.731 1.298) 9.055 2.759 ( -2.345 -3.276 3.731) 5.491 3.073 ( 0.766 -0.978 -4.309) 4.485 3.243 ( 1.397 -6.655 -2.299) 7.178 3.352 ( -2.389 3.290 4.325) 5.936 3.463 ( -1.534 -5.065 -2.009) 5.660 3.935 ( 1.268 6.690 0.118) 6.810 4.357 ( 3.308 4.576 -2.428) 6.146 4.414 ( 1.104 1.712 0.567) 2.115 5.047 ( 2.507 -0.080 3.340) 4.177 5.124 ( -0.000 -1.916 -0.446) 1.967 5.278 ( 3.297 -3.624 -2.037) 5.306 5.318 ( -0.241 -0.827 -0.482) 0.987 5.349 ( 1.143 -6.017 -0.787) 6.175 5.401 ( -5.066 -2.679 0.955) 5.810 5.553 ( 0.931 -0.697 -0.893) 1.467 5.720 ( -3.967 2.429 1.135) 4.788 11.661 ( 1.019 -3.715 1.289) 4.062 11.883 ( 0.429 9.656 -1.496) 9.781 12.984 ( 1.913 -15.731 1.259) 15.897 13.591 ( -1.908 5.671 1.275) 6.117 18.113 ( -0.658 -8.539 -1.874) 8.767 18.447 ( -1.032 15.074 -0.166) 15.110 ======================= Grid point 240 (92/324) ======================= q-point: (-0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 1.047 5.343 1.210) 5.578 2.116 ( -1.450 -4.016 -2.845) 5.131 2.336 ( 4.867 -3.998 3.172) 7.052 2.511 ( -5.321 -5.508 2.350) 8.011 2.686 ( 3.312 -3.342 -2.694) 5.422 2.843 ( -0.218 -7.719 -0.415) 7.734 3.056 ( 3.541 2.032 -2.127) 4.603 3.224 ( -4.214 3.792 0.293) 5.677 3.340 ( -4.240 -0.015 2.174) 4.765 3.557 ( 1.609 -3.081 0.623) 3.531 3.832 ( -0.412 2.970 -0.266) 3.010 4.237 ( 3.082 8.545 -2.807) 9.508 4.395 ( 0.214 0.760 0.147) 0.803 5.048 ( 1.073 1.853 2.782) 3.510 5.107 ( -2.860 3.015 -0.463) 4.181 5.306 ( 1.164 1.649 -0.378) 2.054 5.320 ( 0.038 -0.078 0.122) 0.150 5.394 ( -2.046 -1.273 -2.066) 3.174 5.517 ( 1.126 -6.448 0.878) 6.604 5.574 ( 2.199 -2.124 -1.461) 3.388 5.681 ( -1.347 0.391 1.195) 1.842 11.702 ( 0.550 7.576 1.475) 7.737 11.767 ( -1.322 -5.303 -1.107) 5.576 13.256 ( 2.350 -11.776 -1.347) 12.084 13.530 ( -0.997 0.556 1.759) 2.097 18.172 ( -0.924 13.905 -0.185) 13.937 18.285 ( 0.657 -10.429 -0.646) 10.469 ======================= Grid point 241 (93/324) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.754 6.753 2.225) 7.150 2.176 ( -1.171 -4.885 -6.420) 8.152 2.421 ( 4.531 1.696 4.224) 6.423 2.521 ( -1.018 0.588 1.534) 1.933 2.693 ( 1.898 3.636 0.297) 4.113 2.949 ( 0.666 1.054 -6.688) 6.803 3.069 ( 7.542 -2.165 3.055) 8.421 3.145 ( -5.047 -1.505 -3.934) 6.574 3.299 ( -3.497 3.003 4.145) 6.199 3.583 ( 1.106 0.733 1.649) 2.117 3.822 ( -4.645 -1.534 2.729) 5.601 4.071 ( 2.097 9.632 -2.863) 10.265 4.381 ( 0.056 1.303 0.393) 1.362 5.010 ( -2.402 3.073 -0.565) 3.941 5.037 ( -0.536 1.764 1.827) 2.596 5.241 ( 1.183 4.302 -1.974) 4.879 5.305 ( -1.240 1.888 -0.343) 2.285 5.403 ( 1.459 -0.927 -1.662) 2.398 5.552 ( 1.105 0.446 -1.138) 1.648 5.664 ( -1.525 -1.344 3.810) 4.318 5.701 ( 2.475 -3.706 -0.687) 4.509 11.584 ( -0.728 4.640 1.285) 4.869 11.884 ( -0.520 -7.665 -1.451) 7.819 13.381 ( 3.173 -2.740 -9.042) 9.967 13.598 ( -1.777 -6.629 3.908) 7.897 17.931 ( 0.263 12.410 2.633) 12.689 18.490 ( 0.554 -11.428 0.038) 11.442 ======================= Grid point 242 (94/324) ======================= q-point: (-0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.914 9.525 3.438) 10.167 2.150 ( -2.539 4.982 -6.096) 8.272 2.392 ( 1.249 2.999 3.521) 4.791 2.514 ( 2.763 4.752 -2.592) 6.078 2.593 ( 1.873 4.958 1.283) 5.452 2.817 ( -1.400 7.502 0.225) 7.635 3.086 ( 2.672 4.210 -1.499) 5.206 3.199 ( -5.922 -4.910 -7.032) 10.422 3.270 ( 9.963 3.807 2.648) 10.989 3.555 ( -4.881 3.062 4.991) 7.623 3.818 ( -2.915 5.381 -0.139) 6.122 3.939 ( -1.668 -1.828 4.222) 4.894 4.341 ( 0.077 3.781 1.214) 3.972 4.959 ( -1.670 1.150 -2.662) 3.346 5.028 ( 1.282 0.048 1.248) 1.790 5.174 ( 1.999 2.174 -3.333) 4.453 5.240 ( -1.945 2.984 -2.320) 4.251 5.421 ( 2.902 -0.231 -0.774) 3.013 5.534 ( 1.039 1.647 -0.755) 2.088 5.649 ( -2.689 2.146 4.002) 5.277 5.780 ( 1.200 -2.320 0.870) 2.753 11.545 ( -1.212 -0.434 0.221) 1.306 12.023 ( 0.772 -8.186 -1.886) 8.436 13.347 ( 3.217 2.034 -15.688) 16.143 13.723 ( -2.942 -5.975 2.907) 7.267 17.756 ( 2.198 9.687 8.220) 12.894 18.700 ( -0.506 -11.082 0.529) 11.106 ======================= Grid point 243 (95/324) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 1.374 13.729 5.549) 14.872 1.949 ( -1.114 13.785 -0.389) 13.835 2.229 ( 0.963 12.392 -2.371) 12.654 2.477 ( 2.852 0.706 -0.518) 2.983 2.504 ( -0.929 6.135 -6.807) 9.210 2.746 ( -2.630 0.151 5.202) 5.831 2.958 ( -2.744 8.419 -5.636) 10.496 3.057 ( -0.874 17.986 7.142) 19.372 3.265 ( 10.049 2.889 -2.262) 10.698 3.477 ( -7.284 3.504 6.035) 10.087 3.729 ( -0.939 -2.018 -8.025) 8.328 4.090 ( -0.537 -7.743 6.929) 10.404 4.254 ( 0.473 6.049 3.293) 6.904 4.903 ( -0.667 2.634 -2.640) 3.788 5.020 ( 0.230 4.014 0.481) 4.049 5.164 ( 1.622 -2.549 -5.364) 6.156 5.193 ( -0.222 -0.539 -3.672) 3.718 5.435 ( 2.373 -0.155 -0.235) 2.389 5.493 ( -0.112 2.611 -0.297) 2.630 5.622 ( -2.590 0.680 4.689) 5.400 5.796 ( 0.167 1.318 0.538) 1.433 11.581 ( -1.700 -4.452 -1.548) 5.011 12.167 ( 1.692 -7.259 -1.734) 7.653 13.179 ( 0.806 8.729 -23.801) 25.364 13.814 ( -2.115 -4.736 2.473) 5.746 17.698 ( 4.885 4.049 17.287) 18.415 18.890 ( -1.700 -9.912 0.599) 10.074 ======================= Grid point 244 (96/324) ======================= q-point: (-0.07 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 2.141 15.774 10.259) 18.938 1.624 ( 2.362 21.836 2.800) 22.141 2.051 ( 3.299 6.652 -3.734) 8.312 2.293 ( -1.933 12.531 -6.162) 14.098 2.468 ( 1.907 1.744 -4.443) 5.140 2.585 ( -6.108 23.406 4.311) 24.571 2.764 ( -5.249 0.137 7.184) 8.898 2.839 ( 1.722 8.675 -0.272) 8.849 3.258 ( 7.760 2.033 -1.564) 8.173 3.415 ( -3.384 2.894 6.156) 7.598 3.770 ( 0.368 -6.117 -11.178) 12.748 4.048 ( -3.296 10.387 3.141) 11.341 4.327 ( 2.479 -6.707 6.896) 9.934 4.842 ( -0.270 2.262 -3.099) 3.846 4.902 ( -1.436 7.350 -0.106) 7.490 5.156 ( 0.368 3.012 -7.203) 7.816 5.221 ( 0.440 -3.255 -0.161) 3.289 5.463 ( 0.680 -1.721 0.861) 2.041 5.470 ( -1.716 -2.032 -2.305) 3.520 5.623 ( -0.286 2.155 2.007) 2.959 5.759 ( -0.106 0.799 0.792) 1.130 11.663 ( -1.835 -6.335 -2.954) 7.226 12.271 ( -0.053 -3.795 -2.253) 4.414 12.782 ( -4.012 20.898 -30.892) 37.512 13.918 ( 1.970 -5.836 2.605) 6.688 17.868 ( 7.590 -9.182 28.851) 31.214 19.049 ( -1.840 -8.281 0.543) 8.500 ======================= Grid point 248 (97/324) ======================= q-point: ( 0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 12.341 -0.000 13.568) 18.342 1.262 ( 15.476 -0.000 7.158) 17.051 1.718 ( 10.872 -0.000 -13.121) 17.041 1.923 ( 4.529 -0.000 14.408) 15.103 1.981 ( 8.994 -0.000 -13.451) 16.180 2.370 ( -1.433 0.000 3.123) 3.436 2.619 ( -9.532 0.000 4.371) 10.486 2.650 ( 3.885 -0.000 -9.612) 10.367 2.968 ( -21.268 0.000 3.614) 21.573 3.479 ( -2.982 0.000 -0.128) 2.985 3.662 ( 1.833 -0.000 -7.153) 7.384 3.858 ( 3.113 -0.000 -0.170) 3.118 4.557 ( -1.858 0.000 -0.311) 1.884 4.558 ( 0.528 -0.000 -1.293) 1.397 4.617 ( 0.598 -0.000 0.290) 0.665 4.796 ( 2.760 -0.000 -0.000) 2.760 4.948 ( -1.716 0.000 2.063) 2.683 5.340 ( -8.164 0.000 -0.142) 8.166 5.465 ( -0.881 0.000 1.808) 2.011 5.776 ( 5.511 -0.000 -0.816) 5.571 6.303 ( 6.658 -0.000 3.692) 7.613 10.615 ( -0.805 0.000 2.614) 2.735 11.903 ( 4.738 -0.000 0.633) 4.780 12.250 ( -0.239 0.000 -1.274) 1.296 14.517 ( 11.676 -0.000 -0.772) 11.702 18.662 ( -28.661 0.000 -7.027) 29.510 19.879 ( -2.050 0.000 2.446) 3.191 ======================= Grid point 249 (98/324) ======================= q-point: ( 0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 8.983 -3.981 9.186) 13.451 1.529 ( 12.759 -11.521 8.265) 19.075 1.700 ( 8.454 -1.146 -16.566) 18.633 1.956 ( 2.548 -1.308 -4.583) 5.404 2.150 ( 12.557 -9.078 7.219) 17.094 2.383 ( -0.529 -0.583 3.031) 3.131 2.541 ( -8.447 0.780 -0.810) 8.522 2.682 ( -0.354 -2.744 -2.059) 3.449 2.930 ( -15.572 -6.663 0.179) 16.939 3.498 ( -6.500 -2.474 -0.699) 6.990 3.638 ( 3.573 -2.350 -9.241) 10.183 3.862 ( 2.295 1.103 5.391) 5.962 4.537 ( 1.001 1.049 -1.708) 2.240 4.594 ( -1.451 -4.713 -0.817) 4.998 4.693 ( 0.475 -6.091 0.908) 6.176 4.835 ( -0.347 -1.844 0.054) 1.877 5.036 ( -0.170 -9.299 0.958) 9.349 5.290 ( -8.652 0.320 0.624) 8.681 5.443 ( -0.906 2.516 1.585) 3.109 5.763 ( 5.627 4.338 -0.666) 7.136 6.246 ( 5.873 10.366 2.465) 12.167 10.859 ( -3.165 -23.633 -0.200) 23.845 11.904 ( 5.222 3.259 1.383) 6.309 12.268 ( 0.015 -2.260 -1.177) 2.548 14.503 ( 9.917 7.402 -0.992) 12.414 18.398 ( -26.455 7.341 -7.361) 28.424 19.768 ( 2.344 11.543 3.590) 12.313 ======================= Grid point 250 (99/324) ======================= q-point: ( 0.36 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 2.255 -6.827 5.045) 8.783 1.686 ( 6.289 -3.396 -13.248) 15.053 1.864 ( 9.743 -9.521 10.306) 17.082 2.020 ( 2.712 -7.125 -4.180) 8.695 2.375 ( 2.764 -1.956 3.284) 4.717 2.386 ( 5.678 -2.633 -3.354) 7.100 2.538 ( -11.616 -5.823 0.444) 13.001 2.796 ( 0.321 -10.875 6.328) 12.586 3.002 ( -7.969 -7.222 -3.233) 11.230 3.443 ( -6.443 0.952 -4.984) 8.201 3.735 ( 6.172 -5.381 -3.632) 8.958 3.935 ( -0.554 -6.704 6.827) 9.584 4.514 ( 0.965 1.230 -1.970) 2.515 4.697 ( 0.056 -7.214 -1.501) 7.368 4.778 ( 0.337 -0.859 2.461) 2.628 4.912 ( -0.861 -8.299 -0.837) 8.385 5.211 ( -2.542 -5.575 0.237) 6.132 5.265 ( -5.153 -3.702 0.624) 6.375 5.397 ( -1.004 1.287 0.648) 1.757 5.681 ( 3.293 6.534 0.138) 7.318 6.055 ( 3.766 13.094 0.815) 13.649 11.326 ( -4.252 -27.234 -0.465) 27.568 11.863 ( 4.411 4.087 1.261) 6.144 12.302 ( 0.095 -1.641 -2.272) 2.804 14.360 ( 7.169 12.221 -0.719) 14.187 18.105 ( -18.705 6.560 -6.394) 20.828 19.558 ( 4.392 14.714 3.572) 15.765 ======================= Grid point 251 (100/324) ======================= q-point: ( 0.43 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -3.050 -7.216 -0.105) 7.834 1.751 ( 3.258 -6.446 -8.664) 11.280 2.096 ( 7.447 -6.718 7.504) 12.526 2.182 ( 2.244 -6.874 2.195) 7.557 2.340 ( 1.547 0.691 -4.449) 4.760 2.505 ( -0.923 -4.645 4.239) 6.356 2.615 ( -7.350 -8.791 -1.239) 11.526 2.937 ( -11.460 -2.537 -0.993) 11.780 3.184 ( 3.636 -14.574 5.997) 16.174 3.404 ( -0.984 -1.678 -6.983) 7.249 3.822 ( 6.518 -2.425 -0.420) 6.967 4.147 ( -1.830 -12.335 4.017) 13.101 4.483 ( 0.467 1.647 -1.577) 2.327 4.805 ( 2.935 -1.346 1.798) 3.696 4.838 ( 1.866 -8.204 -2.356) 8.737 5.057 ( -1.454 -7.110 -0.626) 7.284 5.223 ( -6.358 -1.884 0.737) 6.672 5.289 ( 2.802 1.883 0.241) 3.385 5.421 ( -1.276 -0.407 -0.547) 1.447 5.610 ( -1.945 0.007 1.463) 2.434 5.847 ( 0.951 10.367 -0.164) 10.412 11.667 ( 2.331 -3.583 2.864) 5.146 11.927 ( -1.886 -16.396 0.088) 16.505 12.288 ( 0.261 2.013 -3.703) 4.223 14.150 ( 3.850 13.329 0.195) 13.876 17.925 ( -10.629 1.347 -5.495) 12.041 19.311 ( 3.194 15.973 2.276) 16.448 ======================= Grid point 252 (101/324) ======================= q-point: ( 0.50 0.21 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -1.819 -8.842 -2.685) 9.418 1.870 ( -1.067 -8.827 -3.832) 9.682 2.205 ( 0.939 0.870 0.142) 1.288 2.290 ( 2.113 -4.607 5.975) 7.835 2.344 ( -0.289 -0.625 -4.651) 4.702 2.602 ( -5.132 -4.217 10.791) 12.671 2.778 ( -2.585 -13.156 -2.527) 13.644 2.925 ( -6.803 -4.687 -3.032) 8.800 3.397 ( 2.422 -1.046 -7.855) 8.286 3.435 ( 0.287 -4.742 9.214) 10.367 3.928 ( 6.253 -5.926 -2.453) 8.957 4.341 ( -0.256 -7.368 1.547) 7.532 4.446 ( -0.121 1.778 -0.829) 1.966 4.896 ( 4.975 -5.233 1.923) 7.472 4.988 ( 3.086 -7.506 -2.413) 8.467 5.131 ( -1.343 -2.723 -0.531) 3.082 5.233 ( -2.605 -1.048 0.158) 2.812 5.286 ( 1.618 -0.639 -0.064) 1.741 5.366 ( -3.926 2.454 0.710) 4.684 5.608 ( -0.692 2.912 0.565) 3.046 5.736 ( -3.380 -0.047 -0.120) 3.382 11.655 ( 2.909 3.240 1.691) 4.671 12.196 ( 1.406 5.766 -2.654) 6.501 12.310 ( -2.050 -21.175 2.217) 21.390 13.928 ( 0.578 12.269 1.290) 12.350 17.884 ( -4.875 -3.618 -4.656) 7.651 19.031 ( 1.140 16.552 0.776) 16.610 ======================= Grid point 253 (102/324) ======================= q-point: ( 0.57 0.21 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.361 -8.130 -4.957) 9.529 2.023 ( -2.478 -9.544 -1.387) 9.958 2.175 ( 0.190 1.796 3.006) 3.507 2.303 ( -3.309 0.926 -0.327) 3.451 2.413 ( -0.532 -6.680 1.450) 6.856 2.691 ( -4.569 -4.033 6.052) 8.589 2.991 ( -0.439 -7.115 -2.892) 7.693 3.037 ( 0.136 -13.182 -0.659) 13.199 3.371 ( 0.946 0.524 -7.711) 7.786 3.482 ( 0.106 2.983 9.954) 10.392 4.011 ( 2.147 0.084 -2.005) 2.939 4.402 ( 1.198 1.284 -2.056) 2.704 4.442 ( 1.831 -1.303 -0.088) 2.249 5.034 ( 3.642 -5.160 2.593) 6.827 5.091 ( 1.569 -1.822 -0.359) 2.431 5.188 ( 0.661 -5.449 -2.248) 5.931 5.257 ( 1.305 -3.403 0.558) 3.687 5.311 ( 0.140 -0.270 -1.286) 1.321 5.333 ( -5.941 -2.022 2.334) 6.695 5.556 ( 1.162 1.554 -1.022) 2.193 5.726 ( -4.813 0.214 0.256) 4.825 11.638 ( 1.130 0.129 0.337) 1.186 12.058 ( 1.812 8.824 -1.081) 9.073 12.688 ( -0.132 -18.632 3.955) 19.047 13.728 ( -1.376 9.805 1.668) 10.041 17.950 ( -1.363 -7.224 -3.653) 8.209 18.731 ( -0.289 16.303 -0.217) 16.307 ======================= Grid point 254 (103/324) ======================= q-point: ( 0.64 0.21 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -1.804 -2.711 -6.901) 7.631 2.094 ( 1.042 1.407 2.604) 3.138 2.266 ( -1.345 -9.808 3.616) 10.539 2.319 ( -2.198 -4.705 -0.184) 5.196 2.560 ( 0.123 -9.358 -0.999) 9.412 2.751 ( -3.187 -2.968 0.986) 4.465 3.076 ( 2.959 -2.103 0.939) 3.750 3.233 ( 0.924 -5.345 -2.447) 5.950 3.329 ( -2.257 0.736 -2.352) 3.341 3.491 ( 0.676 -1.796 7.347) 7.594 3.937 ( 0.417 6.624 -1.650) 6.839 4.357 ( 1.806 3.778 -3.195) 5.267 4.428 ( 0.707 2.696 -0.060) 2.788 5.091 ( 0.205 1.146 0.828) 1.429 5.125 ( 0.444 -1.092 1.751) 2.110 5.280 ( 0.879 -3.839 -1.770) 4.318 5.316 ( 1.710 -1.318 -1.708) 2.753 5.347 ( -1.936 -2.655 1.258) 3.519 5.390 ( 0.232 -6.503 1.785) 6.747 5.553 ( 1.351 -0.698 -1.813) 2.367 5.683 ( -3.887 1.091 0.194) 4.042 11.669 ( -0.302 -3.368 -0.713) 3.456 11.890 ( 1.296 10.209 1.234) 10.365 13.019 ( 0.797 -15.331 2.930) 15.629 13.580 ( -1.774 5.662 0.588) 5.963 18.091 ( 0.388 -9.681 -2.469) 9.998 18.438 ( -0.485 15.074 0.025) 15.082 ======================= Grid point 255 (104/324) ======================= q-point: (-0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -1.467 1.582 -1.957) 2.913 2.086 ( 0.795 -0.297 -0.432) 0.952 2.392 ( 1.835 -4.321 -1.115) 4.826 2.477 ( -5.308 -9.803 3.811) 11.781 2.691 ( 2.554 -3.364 -3.598) 5.548 2.798 ( -2.183 -5.438 -3.577) 6.865 3.117 ( 6.635 0.138 1.264) 6.755 3.204 ( -1.318 5.730 1.555) 6.082 3.322 ( -3.854 -0.885 4.075) 5.678 3.598 ( 1.977 -3.136 3.540) 5.126 3.813 ( -1.036 4.041 -2.213) 4.723 4.235 ( 2.110 8.167 -3.639) 9.187 4.399 ( 0.114 0.819 0.204) 0.851 5.061 ( -2.967 2.375 -0.227) 3.807 5.094 ( 1.090 3.929 2.415) 4.739 5.310 ( 0.293 2.725 -0.964) 2.905 5.318 ( -0.271 0.346 -0.118) 0.455 5.372 ( 0.869 -2.319 -0.852) 2.618 5.526 ( -0.376 -4.385 0.052) 4.402 5.585 ( 2.112 -4.435 -1.033) 5.019 5.675 ( -1.556 -1.274 0.898) 2.202 11.715 ( -1.040 7.197 1.075) 7.351 11.755 ( 0.820 -4.002 -0.127) 4.087 13.262 ( 1.554 -8.998 -2.054) 9.360 13.519 ( -2.379 -0.832 0.041) 2.521 18.171 ( 0.226 11.678 0.867) 11.712 18.289 ( 0.821 -9.712 -0.180) 9.748 ======================= Grid point 256 (105/324) ======================= q-point: (-0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.028 5.451 3.355) 6.400 2.104 ( -1.055 -2.157 -5.313) 5.831 2.451 ( 0.458 -1.545 -3.377) 3.742 2.533 ( -2.774 1.978 5.112) 6.143 2.723 ( 1.762 2.361 1.211) 3.185 2.864 ( -3.423 -7.050 -9.093) 12.005 3.064 ( -2.810 7.584 0.108) 8.089 3.156 ( 5.567 0.836 -1.641) 5.864 3.363 ( 2.942 -1.128 8.238) 8.820 3.612 ( 0.952 2.902 2.111) 3.713 3.789 ( -4.891 -2.721 1.709) 5.852 4.074 ( 3.238 9.423 -2.626) 10.304 4.387 ( 0.186 1.051 0.620) 1.235 4.969 ( -2.666 3.540 -1.124) 4.572 5.065 ( 1.202 1.812 2.382) 3.225 5.234 ( 1.549 4.265 -2.634) 5.246 5.278 ( -1.594 2.775 -1.548) 3.555 5.419 ( 2.460 -1.459 -0.287) 2.874 5.545 ( 0.065 -0.123 -1.635) 1.641 5.670 ( -3.151 -0.635 3.118) 4.478 5.721 ( 1.535 -4.651 0.362) 4.911 11.587 ( -0.920 5.391 1.212) 5.601 11.874 ( 0.986 -7.668 -1.325) 7.844 13.308 ( 1.109 0.070 -12.275) 12.325 13.602 ( -2.616 -7.166 2.933) 8.173 17.980 ( 1.637 10.254 5.372) 11.691 18.493 ( -0.030 -11.343 0.022) 11.343 ======================= Grid point 257 (106/324) ======================= q-point: (-0.14 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 1.795 8.931 5.885) 10.845 2.063 ( -4.049 3.270 -4.102) 6.627 2.408 ( -1.271 4.114 -0.773) 4.374 2.496 ( 0.042 3.521 -2.035) 4.067 2.624 ( 1.211 7.489 -1.760) 7.788 2.829 ( 1.362 7.303 3.466) 8.197 2.981 ( -10.956 -1.652 -6.890) 13.047 3.157 ( 2.562 -0.666 -0.735) 2.747 3.411 ( 10.738 3.478 0.492) 11.298 3.539 ( -5.637 4.611 3.979) 8.299 3.795 ( -1.623 7.442 0.989) 7.681 3.982 ( 2.123 -4.054 5.046) 6.812 4.358 ( 0.493 3.177 1.758) 3.664 4.919 ( -0.654 0.859 -3.149) 3.329 5.057 ( 2.002 0.635 1.176) 2.407 5.167 ( 2.773 2.919 -4.028) 5.695 5.196 ( -1.917 3.168 -2.307) 4.363 5.442 ( 1.810 -0.059 -0.656) 1.926 5.531 ( 0.054 1.134 -1.075) 1.563 5.647 ( -4.291 1.641 3.772) 5.944 5.797 ( -0.049 -1.963 1.551) 2.502 11.528 ( -1.385 0.494 -0.473) 1.545 12.026 ( 2.406 -8.329 -1.487) 8.796 13.194 ( -1.112 4.603 -19.603) 20.166 13.725 ( -1.384 -5.817 2.934) 6.660 17.876 ( 2.786 6.085 11.002) 12.877 18.695 ( -1.021 -10.747 0.379) 10.802 ======================= Grid point 258 (107/324) ======================= q-point: (-0.07 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 2.973 12.877 8.789) 15.871 1.917 ( -3.755 9.262 -0.154) 9.995 2.240 ( 1.126 12.657 1.366) 12.780 2.410 ( -2.362 5.482 -8.536) 10.417 2.476 ( 0.929 3.653 -5.189) 6.413 2.760 ( -2.606 4.074 0.812) 4.904 2.861 ( -5.473 5.777 -0.916) 8.011 3.115 ( -0.352 10.716 5.364) 11.989 3.362 ( 8.462 6.316 -0.901) 10.597 3.451 ( -5.639 1.827 5.275) 7.935 3.660 ( 0.486 1.671 -6.013) 6.260 4.152 ( 1.212 -4.228 5.864) 7.330 4.301 ( 1.474 2.612 4.482) 5.393 4.867 ( -0.275 2.514 -4.076) 4.797 5.024 ( -0.296 6.251 0.095) 6.259 5.130 ( 3.017 -1.977 -6.342) 7.296 5.177 ( 1.035 -1.312 -1.601) 2.314 5.440 ( -0.329 0.002 -1.085) 1.133 5.485 ( -0.913 2.914 -0.203) 3.061 5.633 ( -3.200 -0.749 4.499) 5.572 5.798 ( -0.924 2.069 0.914) 2.443 11.546 ( -1.395 -3.702 -1.987) 4.427 12.174 ( 2.332 -6.483 -1.662) 7.087 12.932 ( -4.113 12.126 -24.511) 27.654 13.837 ( 1.462 -5.535 2.427) 6.218 17.906 ( 2.766 -1.437 17.263) 17.542 18.879 ( -0.982 -9.727 0.743) 9.805 ======================= Grid point 263 (108/324) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 9.629 -0.000 2.510) 9.950 1.488 ( 12.352 -0.000 10.795) 16.404 1.680 ( 11.372 -0.000 -14.971) 18.800 1.966 ( 9.362 -0.000 -11.972) 15.198 2.148 ( 7.990 -0.000 15.117) 17.098 2.392 ( 0.270 -0.000 2.161) 2.178 2.540 ( -10.917 0.000 2.825) 11.276 2.611 ( 4.765 -0.000 -8.942) 10.133 2.763 ( -20.410 0.000 2.605) 20.575 3.446 ( -3.228 0.000 0.248) 3.238 3.576 ( 0.052 -0.000 -11.939) 11.939 3.908 ( 0.573 -0.000 4.855) 4.888 4.533 ( -1.916 0.000 -0.361) 1.950 4.552 ( 1.405 -0.000 -2.248) 2.651 4.630 ( 1.134 -0.000 0.337) 1.183 4.823 ( 2.236 -0.000 -0.105) 2.239 4.958 ( -1.416 0.000 3.241) 3.537 5.251 ( -9.086 0.000 2.093) 9.324 5.466 ( -2.456 0.000 2.138) 3.256 5.836 ( 6.914 -0.000 -1.056) 6.994 6.396 ( 5.218 -0.000 2.606) 5.833 10.620 ( -0.996 0.000 0.829) 1.296 11.974 ( 5.610 -0.000 1.869) 5.913 12.242 ( -0.070 0.000 -0.169) 0.183 14.625 ( 9.276 -0.000 -0.145) 9.277 18.276 ( -26.312 0.000 -10.859) 28.465 19.892 ( 0.628 -0.000 1.376) 1.512 ======================= Grid point 264 (109/324) ======================= q-point: ( 0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 4.120 -1.432 0.191) 4.366 1.670 ( 12.928 -0.595 -7.138) 14.780 1.753 ( 12.036 -11.066 5.833) 17.359 1.955 ( 7.657 -0.277 -7.280) 10.569 2.316 ( 1.924 -6.099 4.762) 7.974 2.391 ( -1.722 1.359 -0.744) 2.316 2.446 ( -3.711 0.553 1.843) 4.180 2.682 ( 0.433 -4.322 1.975) 4.771 2.766 ( -12.704 -10.432 -1.361) 16.494 3.409 ( -6.867 1.724 -2.848) 7.632 3.594 ( 3.737 -7.341 -8.312) 11.702 3.925 ( -0.609 0.108 5.796) 5.829 4.532 ( 1.611 1.220 -2.684) 3.360 4.573 ( -1.122 -5.101 -0.772) 5.280 4.708 ( 0.684 -6.443 0.810) 6.530 4.838 ( -0.061 -0.420 0.889) 0.985 5.046 ( -0.290 -8.504 1.313) 8.610 5.211 ( -8.366 0.354 2.998) 8.894 5.440 ( -2.559 2.191 1.995) 3.916 5.820 ( 5.830 5.106 -0.884) 7.800 6.319 ( 4.194 11.251 1.388) 12.087 10.831 ( -2.307 -21.527 0.362) 21.653 11.977 ( 5.045 3.624 1.637) 6.424 12.261 ( -0.068 -1.798 -0.230) 1.814 14.595 ( 7.434 8.211 0.915) 11.114 18.054 ( -20.258 3.680 -11.236) 23.456 19.814 ( 2.083 9.126 1.091) 9.424 ======================= Grid point 265 (110/324) ======================= q-point: ( 0.43 0.29 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -0.296 -3.951 -4.187) 5.764 1.713 ( 10.813 -0.217 -2.944) 11.209 2.024 ( 6.064 -6.261 -4.285) 9.712 2.070 ( 8.731 -10.295 9.007) 16.228 2.339 ( -3.541 -0.942 -3.499) 5.066 2.391 ( -5.219 -4.628 -3.611) 7.855 2.496 ( 2.691 -2.162 3.476) 4.899 2.795 ( -11.410 -6.360 2.587) 13.317 2.958 ( 3.388 -14.004 2.595) 14.640 3.331 ( -6.251 -0.423 -4.259) 7.576 3.758 ( 5.843 -8.623 -5.169) 11.628 3.978 ( -2.588 -5.055 5.926) 8.208 4.503 ( 1.412 1.316 -3.207) 3.743 4.688 ( 0.709 -7.763 -1.446) 7.929 4.812 ( 0.886 -1.351 3.329) 3.700 4.895 ( -1.391 -7.881 -0.373) 8.011 5.176 ( -6.183 -0.284 3.081) 6.914 5.236 ( -0.643 -9.942 -0.472) 9.974 5.391 ( -1.714 2.098 1.481) 3.087 5.714 ( 2.814 8.102 -0.335) 8.583 6.092 ( 2.581 14.491 -0.211) 14.720 11.295 ( -3.284 -27.873 2.183) 28.150 11.920 ( 3.687 5.305 0.879) 6.520 12.286 ( 0.034 -0.826 -1.105) 1.380 14.431 ( 5.066 13.463 1.929) 14.513 17.861 ( -11.636 1.996 -9.718) 15.291 19.614 ( 2.427 13.994 0.538) 14.213 ======================= Grid point 266 (111/324) ======================= q-point: ( 0.50 0.29 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -0.814 -6.750 -5.583) 8.797 1.775 ( 5.322 -2.852 0.383) 6.050 2.164 ( 3.326 -5.945 -3.033) 7.457 2.247 ( 0.632 -4.319 2.857) 5.217 2.323 ( 1.803 0.621 -3.459) 3.950 2.513 ( -1.467 -11.052 0.621) 11.166 2.574 ( -2.157 -3.644 6.092) 7.419 2.795 ( -11.574 -2.941 -0.676) 11.960 3.289 ( 2.639 -14.785 6.273) 16.276 3.331 ( -0.262 -3.559 -4.974) 6.122 3.870 ( 5.505 -3.249 -3.156) 7.130 4.151 ( -3.643 -11.756 3.110) 12.694 4.470 ( 0.905 1.474 -2.894) 3.372 4.842 ( 2.797 -8.530 -2.303) 9.268 4.860 ( 2.741 -2.550 2.924) 4.750 5.033 ( -2.231 -6.916 -0.094) 7.268 5.171 ( -5.360 -1.725 2.217) 6.051 5.322 ( 2.275 1.360 0.958) 2.818 5.404 ( -1.056 -1.475 -0.458) 1.871 5.597 ( -1.849 2.253 0.209) 2.922 5.850 ( 0.662 11.830 -1.019) 11.892 11.705 ( 0.164 -7.143 1.852) 7.381 11.926 ( -0.942 -13.570 2.641) 13.857 12.271 ( 1.039 2.318 -1.328) 2.867 14.198 ( 2.437 14.851 2.978) 15.342 17.778 ( -4.735 -1.949 -7.710) 9.256 19.343 ( 1.230 16.373 -0.467) 16.426 ======================= Grid point 267 (112/324) ======================= q-point: ( 0.57 0.29 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -0.844 -9.006 -7.221) 11.575 1.889 ( 2.871 -6.283 2.761) 7.439 2.214 ( 0.921 -0.375 -0.063) 0.996 2.298 ( -1.210 0.736 -3.175) 3.477 2.316 ( -1.935 -3.473 -1.323) 4.191 2.635 ( -6.662 -2.377 7.297) 10.162 2.745 ( 0.080 -13.862 1.235) 13.918 2.864 ( -1.612 -8.278 0.420) 8.444 3.341 ( 0.780 -1.270 -7.418) 7.566 3.536 ( 0.772 -4.243 10.713) 11.548 3.954 ( 4.672 -4.951 -4.939) 8.410 4.339 ( -1.639 -8.779 0.146) 8.932 4.433 ( 0.116 1.531 -1.771) 2.344 4.958 ( 2.863 -5.341 1.303) 6.198 5.012 ( 4.618 -8.097 -1.428) 9.430 5.107 ( -2.180 -2.841 0.178) 3.586 5.204 ( -3.197 -3.136 1.470) 4.714 5.313 ( 1.804 0.828 0.820) 2.147 5.335 ( -2.685 4.317 0.772) 5.142 5.608 ( 0.716 0.860 -0.934) 1.458 5.694 ( -3.217 2.244 -0.997) 4.048 11.676 ( 0.307 3.486 -1.402) 3.770 12.202 ( 2.316 5.677 -0.091) 6.132 12.331 ( -1.567 -22.247 6.304) 23.176 13.954 ( 0.139 13.825 3.500) 14.262 17.804 ( -0.699 -5.601 -5.863) 8.138 19.034 ( -0.112 17.004 -1.280) 17.053 ======================= Grid point 268 (113/324) ======================= q-point: ( 0.64 0.29 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -1.617 -8.736 -7.962) 11.930 2.029 ( 2.172 -5.952 0.237) 6.341 2.223 ( 1.380 1.041 3.847) 4.218 2.276 ( -1.929 -1.022 -0.215) 2.193 2.386 ( -2.997 -7.623 -0.529) 8.208 2.676 ( -5.096 -3.366 1.968) 6.416 2.995 ( 1.352 -10.338 1.737) 10.570 3.042 ( 1.337 -10.937 0.868) 11.053 3.316 ( 0.906 0.708 -6.710) 6.808 3.578 ( 0.243 3.366 10.483) 11.013 4.003 ( 1.030 0.542 -3.599) 3.783 4.391 ( 0.721 1.378 -2.544) 2.982 4.447 ( 0.331 -2.067 -1.474) 2.560 5.062 ( -0.668 -3.763 -0.392) 3.842 5.120 ( 1.479 -0.920 2.258) 2.851 5.174 ( 1.375 -6.837 -2.184) 7.308 5.275 ( 0.714 -4.724 1.989) 5.175 5.283 ( -3.668 -0.642 1.130) 3.891 5.335 ( 1.422 -1.555 1.048) 2.354 5.563 ( 2.500 2.014 -2.003) 3.784 5.673 ( -4.311 -0.015 -0.851) 4.394 11.629 ( -0.990 0.123 -2.140) 2.361 12.087 ( 2.614 8.795 1.863) 9.362 12.730 ( -0.674 -18.566 6.323) 19.625 13.734 ( -1.012 11.195 2.371) 11.488 17.913 ( 1.110 -8.416 -4.098) 9.426 18.720 ( -0.535 16.145 -1.276) 16.204 ======================= Grid point 269 (114/324) ======================= q-point: (-0.29 -0.71 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -1.876 -3.435 -6.887) 7.921 2.135 ( 1.246 -1.309 3.702) 4.120 2.250 ( -2.409 -6.433 -0.114) 6.870 2.315 ( 0.052 -4.292 -2.823) 5.137 2.564 ( 0.757 -9.957 2.582) 10.314 2.716 ( -2.617 -3.041 -1.301) 4.218 3.143 ( 4.848 -2.913 3.522) 6.663 3.224 ( 0.053 -5.623 -0.476) 5.643 3.285 ( -1.610 -0.949 -2.435) 3.070 3.575 ( 1.310 0.287 7.910) 8.023 3.916 ( -0.467 6.606 -2.797) 7.189 4.339 ( 0.767 3.940 -3.971) 5.646 4.426 ( -0.310 2.183 -0.629) 2.292 5.070 ( -2.831 0.293 -0.582) 2.905 5.155 ( 0.100 0.436 2.516) 2.555 5.282 ( 1.631 -4.555 -0.920) 4.925 5.317 ( 1.280 -2.166 -1.854) 3.125 5.350 ( -0.059 -1.372 2.177) 2.574 5.413 ( 0.121 -5.696 2.388) 6.178 5.552 ( 2.365 -0.323 -2.508) 3.462 5.642 ( -2.976 -0.432 -0.735) 3.096 11.646 ( -1.375 -3.599 -1.870) 4.283 11.928 ( 1.682 10.697 3.006) 11.238 13.055 ( -0.050 -14.229 4.482) 14.918 13.562 ( -1.518 6.999 -0.721) 7.198 18.078 ( 1.314 -10.183 -2.440) 10.554 18.437 ( 0.140 13.946 0.011) 13.947 ======================= Grid point 270 (115/324) ======================= q-point: (-0.21 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -2.099 -2.123 -4.030) 5.015 2.122 ( 1.644 3.407 3.972) 5.485 2.368 ( -2.060 -5.043 -1.764) 5.726 2.436 ( -4.633 -10.731 -2.549) 11.964 2.682 ( 1.505 -2.096 -2.660) 3.706 2.768 ( -0.006 -2.910 -0.448) 2.944 3.183 ( 5.220 0.591 -2.257) 5.718 3.218 ( 0.694 5.523 1.614) 5.796 3.350 ( -1.302 -4.645 9.256) 10.438 3.651 ( 0.821 -2.712 3.932) 4.846 3.773 ( -0.886 5.463 -3.585) 6.594 4.218 ( 1.252 6.714 -4.067) 7.949 4.401 ( 0.055 0.562 0.017) 0.565 5.024 ( -3.450 3.065 0.298) 4.624 5.130 ( 1.275 2.996 2.003) 3.823 5.299 ( -0.105 2.300 -1.322) 2.655 5.314 ( 0.126 2.647 -0.187) 2.657 5.391 ( 2.966 -2.812 -0.332) 4.100 5.512 ( -1.117 -2.938 -0.966) 3.288 5.600 ( 1.053 -5.146 0.216) 5.257 5.663 ( -1.545 -2.578 0.413) 3.034 11.703 ( -1.641 0.516 0.266) 1.741 11.777 ( 1.757 3.077 1.035) 3.692 13.253 ( 1.088 -4.127 -2.922) 5.172 13.485 ( -3.083 -2.454 -0.467) 3.968 18.190 ( 0.993 7.862 1.583) 8.081 18.297 ( 0.714 -7.818 -0.080) 7.851 ======================= Grid point 271 (116/324) ======================= q-point: (-0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -1.897 0.511 1.073) 2.238 2.084 ( 1.377 3.249 1.097) 3.695 2.402 ( -1.542 -0.792 -5.243) 5.522 2.524 ( -6.687 -2.209 3.465) 7.848 2.736 ( 0.242 3.022 -1.287) 3.293 2.746 ( -3.555 -5.213 -6.111) 8.784 3.074 ( 1.620 11.101 2.455) 11.484 3.182 ( 3.227 0.992 -2.752) 4.356 3.464 ( 2.106 -1.685 5.442) 6.074 3.638 ( 1.273 5.665 0.866) 5.870 3.756 ( -3.830 -5.942 2.472) 7.489 4.099 ( 5.003 6.872 -1.216) 8.586 4.395 ( 0.239 0.524 0.551) 0.797 4.939 ( -1.568 3.509 -0.376) 3.862 5.100 ( 1.482 1.990 1.726) 3.023 5.228 ( 1.915 3.938 -2.854) 5.227 5.252 ( -0.533 3.976 -1.316) 4.222 5.440 ( 2.005 -1.089 -0.729) 2.395 5.527 ( -0.524 -0.602 -1.510) 1.708 5.652 ( -4.605 -0.339 2.115) 5.078 5.740 ( 0.328 -4.818 1.431) 5.036 11.588 ( -0.825 6.314 1.207) 6.481 11.880 ( 2.147 -8.058 -1.184) 8.423 13.190 ( -0.621 4.413 -13.572) 14.285 13.601 ( -2.347 -8.089 2.967) 8.930 18.052 ( 1.752 7.709 5.851) 9.835 18.491 ( -0.532 -11.130 0.065) 11.143 ======================= Grid point 272 (117/324) ======================= q-point: (-0.07 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 1.319 5.345 5.999) 8.142 2.006 ( -2.557 5.743 1.105) 6.383 2.351 ( -2.724 1.245 -5.662) 6.405 2.493 ( -1.681 5.607 2.196) 6.252 2.578 ( -1.985 8.799 -6.437) 11.081 2.806 ( -11.270 -3.469 -3.382) 12.268 2.899 ( 3.888 8.655 3.756) 10.205 3.172 ( 1.524 0.288 -1.262) 2.000 3.470 ( -2.532 1.990 0.094) 3.222 3.526 ( 3.094 5.660 -1.582) 6.642 3.810 ( 0.869 7.341 3.698) 8.266 4.075 ( 5.675 -4.201 5.846) 9.167 4.381 ( 0.560 2.095 1.884) 2.873 4.891 ( 0.643 1.686 -2.883) 3.401 5.090 ( 2.569 0.418 0.341) 2.625 5.150 ( -0.307 5.772 -2.539) 6.314 5.173 ( 2.288 1.348 -2.915) 3.944 5.444 ( 0.042 0.662 -1.311) 1.469 5.518 ( -0.668 1.044 -0.981) 1.580 5.625 ( -5.581 0.525 3.293) 6.501 5.807 ( -1.207 -1.450 2.069) 2.800 11.513 ( -0.507 1.510 -0.201) 1.605 12.045 ( 3.306 -8.440 -1.326) 9.161 12.992 ( -3.081 8.296 -18.737) 20.722 13.741 ( -0.604 -6.724 2.467) 7.188 17.993 ( 0.962 3.109 9.414) 9.960 18.690 ( -0.736 -10.789 0.831) 10.846 ======================= Grid point 278 (118/324) ======================= q-point: ( 0.36 0.36 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 7.232 -0.000 -6.881) 9.982 1.702 ( 11.287 -0.000 7.778) 13.707 1.738 ( 13.691 -0.000 -4.023) 14.270 1.963 ( 7.902 -0.000 -9.577) 12.416 2.303 ( -0.538 0.000 4.254) 4.288 2.410 ( 0.319 -0.000 0.964) 1.016 2.440 ( -10.754 0.000 1.613) 10.874 2.560 ( -4.561 0.000 -0.171) 4.564 2.652 ( -1.757 0.000 2.002) 2.663 3.415 ( -2.935 0.000 0.496) 2.977 3.469 ( 1.220 -0.000 -12.008) 12.070 3.944 ( -1.975 0.000 4.401) 4.824 4.511 ( -1.356 0.000 -0.457) 1.431 4.546 ( 1.789 -0.000 -3.163) 3.634 4.645 ( 0.917 -0.000 0.386) 0.995 4.842 ( 1.606 -0.000 -0.206) 1.619 4.965 ( -1.918 0.000 1.789) 2.623 5.194 ( -7.777 0.000 5.870) 9.744 5.453 ( -3.557 0.000 2.396) 4.289 5.898 ( 6.027 -0.000 -1.326) 6.171 6.461 ( 3.091 -0.000 1.717) 3.536 10.610 ( -0.772 0.000 -0.837) 1.139 12.044 ( 4.328 -0.000 1.069) 4.458 12.244 ( -0.115 0.000 0.753) 0.762 14.721 ( 6.048 -0.000 3.100) 6.797 17.928 ( -16.291 0.000 -13.369) 21.074 19.907 ( 1.058 -0.000 -0.650) 1.242 ======================= Grid point 279 (119/324) ======================= q-point: ( 0.43 0.36 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 5.350 0.496 -5.889) 7.972 1.783 ( 12.627 0.459 -0.761) 12.658 1.902 ( 7.343 -7.941 -0.382) 10.823 2.011 ( 12.025 -5.466 -1.682) 13.316 2.212 ( -14.200 0.824 -2.503) 14.442 2.369 ( -0.550 0.693 -1.815) 2.019 2.502 ( 1.240 -2.083 1.697) 2.959 2.628 ( -9.214 -6.395 3.913) 11.879 2.746 ( 2.723 -10.332 3.125) 11.132 3.313 ( -4.451 3.961 -3.310) 6.816 3.574 ( 4.760 -10.076 -6.192) 12.748 3.950 ( -2.955 -0.409 3.903) 4.912 4.521 ( 1.839 1.445 -3.855) 4.509 4.557 ( -0.452 -5.537 -0.767) 5.608 4.720 ( 0.411 -6.668 0.543) 6.703 4.846 ( -0.381 0.125 1.268) 1.330 5.043 ( -1.096 -8.455 -0.468) 8.538 5.175 ( -6.418 0.989 6.840) 9.432 5.428 ( -2.958 1.710 2.356) 4.151 5.866 ( 4.371 5.790 -1.309) 7.371 6.361 ( 2.167 11.908 0.441) 12.112 10.812 ( -1.636 -21.296 0.053) 21.359 12.031 ( 2.996 3.824 0.065) 4.858 12.262 ( -0.104 -1.355 0.718) 1.537 14.683 ( 4.026 8.803 4.481) 10.666 17.784 ( -8.571 1.183 -12.502) 15.204 19.829 ( 1.022 8.155 -1.594) 8.372 ======================= Grid point 280 (120/324) ======================= q-point: ( 0.50 0.36 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 2.885 -2.039 -3.973) 5.317 1.817 ( 8.832 2.146 1.396) 9.196 2.037 ( 4.369 -7.169 -5.599) 10.091 2.132 ( -6.774 -5.349 -4.541) 9.753 2.311 ( 4.846 -8.212 1.901) 9.723 2.350 ( 2.039 -2.536 -1.709) 3.676 2.542 ( 0.092 -2.360 2.549) 3.475 2.685 ( -10.047 -3.149 3.466) 11.084 3.029 ( 0.955 -16.129 3.121) 16.456 3.251 ( -2.121 -1.425 -1.135) 2.796 3.775 ( 6.048 -9.603 -5.039) 12.417 3.980 ( -4.893 -4.419 3.335) 7.389 4.486 ( 1.736 1.370 -4.406) 4.930 4.687 ( 1.371 -8.428 -1.391) 8.651 4.852 ( 0.410 -1.373 3.259) 3.560 4.874 ( -1.786 -8.233 -0.013) 8.424 5.151 ( -4.809 0.284 5.184) 7.077 5.229 ( -0.005 -10.670 -0.783) 10.699 5.389 ( -1.627 2.112 2.246) 3.486 5.732 ( 1.663 9.439 -1.027) 9.640 6.107 ( 1.257 15.315 -1.134) 15.408 11.288 ( -2.602 -28.666 2.972) 28.937 11.948 ( 1.332 5.651 -0.895) 5.874 12.288 ( 0.698 -0.618 0.660) 1.142 14.503 ( 2.099 14.274 4.966) 15.258 17.697 ( -1.583 -0.441 -10.106) 10.239 19.621 ( 0.399 13.583 -2.431) 13.804 ======================= Grid point 281 (121/324) ======================= q-point: ( 0.57 0.36 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 1.728 -4.854 -3.853) 6.434 1.851 ( 5.143 -1.521 3.410) 6.355 2.143 ( 1.065 -5.300 -6.473) 8.433 2.192 ( -5.375 -6.654 -7.783) 11.564 2.312 ( 0.893 0.963 -1.916) 2.323 2.516 ( 0.157 -6.685 1.075) 6.772 2.654 ( 0.107 -3.130 11.259) 11.686 2.708 ( -4.161 -6.800 1.970) 8.211 3.243 ( -3.436 -6.509 -4.225) 8.487 3.412 ( 4.526 -13.098 6.179) 15.173 3.886 ( 3.650 -2.914 -4.284) 6.338 4.122 ( -5.125 -11.693 1.042) 12.810 4.451 ( 1.222 1.266 -3.729) 4.123 4.855 ( 3.272 -8.984 -2.110) 9.791 4.901 ( -0.196 -3.632 2.197) 4.250 5.018 ( -0.598 -6.776 1.202) 6.908 5.155 ( -2.788 -0.884 4.092) 5.029 5.353 ( 0.798 1.691 2.028) 2.759 5.391 ( -0.229 -3.358 -0.744) 3.447 5.573 ( -1.544 4.281 -1.296) 4.732 5.843 ( 0.391 12.511 -1.732) 12.637 11.699 ( -1.761 -6.112 -1.168) 6.467 11.951 ( -0.851 -15.222 5.162) 16.096 12.290 ( 2.409 1.904 1.296) 3.333 14.252 ( 0.321 15.780 5.140) 16.599 17.693 ( 2.228 -3.286 -7.869) 8.814 19.330 ( -0.702 16.259 -3.043) 16.556 ======================= Grid point 282 (122/324) ======================= q-point: (-0.36 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 1.229 -6.980 -4.922) 8.629 1.958 ( 4.923 -4.628 2.279) 7.131 2.188 ( -2.158 -4.302 -8.605) 9.860 2.239 ( -1.218 -3.323 -3.524) 4.995 2.298 ( -1.070 -0.417 3.679) 3.854 2.595 ( -5.540 -2.973 1.318) 6.424 2.792 ( -1.068 -10.139 7.260) 12.516 2.895 ( 3.906 -9.220 2.627) 10.352 3.285 ( 0.274 -1.920 -5.797) 6.112 3.637 ( -0.134 -3.915 10.556) 11.259 3.940 ( 2.346 -4.327 -6.603) 8.235 4.307 ( -2.849 -10.094 -1.964) 10.671 4.418 ( 0.142 1.326 -2.062) 2.456 4.977 ( -0.827 -4.731 0.554) 4.834 5.035 ( 2.165 -8.382 -2.110) 8.911 5.117 ( 2.127 -2.302 2.513) 4.017 5.194 ( -1.873 -3.535 2.385) 4.657 5.317 ( -0.944 4.611 0.788) 4.772 5.342 ( 0.570 1.269 1.635) 2.147 5.601 ( 0.254 -3.515 -2.238) 4.175 5.657 ( -0.859 6.390 -1.541) 6.629 11.642 ( -1.811 3.251 -3.627) 5.197 12.239 ( 2.028 4.259 2.174) 5.194 12.392 ( 0.363 -21.113 8.922) 22.924 13.989 ( -0.820 14.908 4.478) 15.587 17.765 ( 3.331 -6.259 -6.041) 9.315 19.007 ( -1.220 16.544 -2.994) 16.857 ======================= Grid point 283 (123/324) ======================= q-point: (-0.29 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.672 -6.843 -4.830) 8.402 2.055 ( 3.631 -4.228 -2.282) 6.023 2.211 ( -3.605 -3.663 -6.312) 8.140 2.260 ( 2.128 0.615 1.068) 2.459 2.410 ( 0.357 -8.720 8.235) 11.999 2.626 ( -4.314 -3.746 -0.763) 5.764 3.023 ( -0.578 -11.931 2.751) 12.258 3.091 ( 3.729 -8.379 3.001) 9.650 3.271 ( 1.308 0.856 -5.400) 5.622 3.670 ( -0.301 3.335 9.533) 10.104 3.968 ( -0.443 0.311 -4.727) 4.757 4.367 ( -0.321 1.030 -3.738) 3.891 4.425 ( -1.197 -2.358 -1.893) 3.252 5.031 ( -3.574 -2.276 -0.253) 4.244 5.144 ( -0.115 -1.878 1.601) 2.470 5.183 ( 2.964 -6.126 -1.807) 7.041 5.257 ( -2.864 -2.047 1.176) 3.711 5.320 ( 2.726 -3.586 3.068) 5.450 5.362 ( 1.075 -2.122 1.809) 2.989 5.571 ( 1.631 2.182 -1.849) 3.293 5.626 ( -1.012 0.007 -2.303) 2.515 11.587 ( -1.999 -0.453 -2.890) 3.543 12.136 ( 1.937 8.862 2.854) 9.509 12.793 ( 0.182 -17.477 8.662) 19.507 13.744 ( -0.895 12.741 1.880) 12.910 17.898 ( 2.825 -8.808 -4.250) 10.179 18.698 ( -0.619 15.044 -2.028) 15.193 ======================= Grid point 284 (124/324) ======================= q-point: (-0.21 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -0.435 -2.972 -3.771) 4.821 2.179 ( 1.545 -6.630 1.236) 6.919 2.211 ( -2.175 -1.659 -4.309) 5.104 2.287 ( 0.924 -2.894 -0.026) 3.038 2.616 ( 1.550 -6.981 3.902) 8.147 2.682 ( -0.664 -5.172 -0.924) 5.296 3.201 ( 1.430 -3.331 -3.377) 4.954 3.239 ( 1.741 -1.546 1.935) 3.027 3.267 ( 0.220 -7.036 4.203) 8.199 3.651 ( 1.321 1.747 5.163) 5.609 3.879 ( -1.705 6.141 -2.491) 6.842 4.298 ( -1.001 4.115 -4.958) 6.521 4.414 ( -0.599 0.958 -0.802) 1.385 5.033 ( -3.333 -0.063 0.231) 3.342 5.167 ( -1.223 -0.072 1.628) 2.038 5.290 ( 1.090 -3.224 -0.840) 3.506 5.307 ( -0.317 -3.998 -1.425) 4.256 5.388 ( 3.029 -1.014 2.255) 3.910 5.435 ( -0.250 -3.008 3.033) 4.279 5.559 ( 2.327 -0.406 -1.963) 3.071 5.608 ( -0.713 -1.285 -2.032) 2.508 11.613 ( -1.483 -4.367 -1.643) 4.896 11.970 ( 0.664 11.050 2.862) 11.434 13.106 ( 0.322 -12.419 6.773) 14.149 13.535 ( -0.854 9.133 -2.382) 9.477 18.072 ( 1.436 -10.330 -2.467) 10.717 18.440 ( 0.592 12.309 -0.258) 12.326 ======================= Grid point 285 (125/324) ======================= q-point: (-0.14 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -0.982 -2.441 -1.609) 3.084 2.170 ( 0.774 2.712 1.871) 3.385 2.335 ( -3.639 -6.051 0.699) 7.095 2.358 ( -1.876 -6.183 -2.907) 7.085 2.678 ( 1.250 -1.340 -1.184) 2.182 2.772 ( 0.899 -1.112 -0.819) 1.648 3.189 ( 2.591 0.225 -5.134) 5.755 3.245 ( 0.140 4.414 3.605) 5.701 3.444 ( 1.411 -5.926 9.329) 11.142 3.655 ( -2.624 -1.248 -1.983) 3.518 3.754 ( 1.140 5.448 -0.181) 5.569 4.194 ( 1.199 3.619 -3.696) 5.310 4.400 ( 0.063 0.171 -0.275) 0.330 4.996 ( -2.895 2.638 1.333) 4.137 5.153 ( 0.233 1.840 1.063) 2.138 5.287 ( 0.143 2.243 -1.183) 2.539 5.324 ( 1.482 3.277 0.339) 3.612 5.417 ( 2.717 -1.518 -1.302) 3.374 5.494 ( -0.276 -2.248 -0.553) 2.331 5.601 ( -1.832 -3.166 0.272) 3.668 5.656 ( -0.186 -4.399 0.540) 4.436 11.690 ( -1.258 -1.871 0.282) 2.272 11.803 ( 1.233 5.077 0.875) 5.297 13.236 ( 1.242 3.516 -3.500) 5.114 13.454 ( -2.519 -5.556 0.819) 6.156 18.215 ( 0.868 3.165 1.482) 3.601 18.301 ( 0.354 -4.963 -0.473) 4.998 ======================= Grid point 286 (126/324) ======================= q-point: (-0.07 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -1.966 -1.353 1.461) 2.798 2.131 ( 2.408 3.707 2.546) 5.101 2.340 ( -1.995 2.057 -2.530) 3.823 2.456 ( -8.961 -6.637 1.478) 11.249 2.687 ( -1.137 4.754 -3.805) 6.194 2.711 ( -0.988 1.401 -1.325) 2.167 3.127 ( 3.016 10.227 2.963) 11.066 3.180 ( 1.840 0.277 -3.503) 3.966 3.475 ( -4.735 1.621 0.615) 5.042 3.646 ( 1.135 6.625 -3.216) 7.451 3.774 ( 0.520 -9.239 5.800) 10.921 4.161 ( 6.676 2.514 0.626) 7.161 4.401 ( 0.192 -0.073 0.209) 0.293 4.931 ( -0.189 3.355 0.828) 3.461 5.123 ( 0.879 1.761 0.503) 2.031 5.225 ( 2.210 3.809 -2.502) 5.065 5.249 ( 1.519 5.332 -0.473) 5.564 5.439 ( 0.051 -0.597 -2.248) 2.326 5.515 ( 0.173 -0.455 -0.371) 0.612 5.610 ( -5.658 -0.185 1.099) 5.767 5.753 ( -0.960 -4.571 2.145) 5.140 11.593 ( -0.358 6.652 1.405) 6.808 11.895 ( 2.516 -8.617 -1.382) 9.083 13.067 ( -0.500 9.022 -11.397) 14.545 13.603 ( -2.136 -8.540 2.763) 9.227 18.113 ( 0.661 6.044 4.214) 7.397 18.484 ( -0.841 -11.384 0.132) 11.415 ======================= Grid point 293 (127/324) ======================= q-point: ( 0.43 0.43 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 9.297 -0.000 -7.998) 12.263 1.851 ( 6.220 -0.000 0.247) 6.225 1.858 ( 13.263 -0.000 -3.405) 13.693 1.970 ( 5.780 -0.000 -2.260) 6.206 2.198 ( -14.644 0.000 -2.182) 14.806 2.350 ( -7.157 0.000 0.755) 7.196 2.416 ( -0.121 0.000 2.409) 2.412 2.591 ( 3.094 -0.000 0.752) 3.184 2.676 ( -1.967 0.000 5.623) 5.957 3.393 ( -2.055 0.000 0.583) 2.136 3.413 ( 7.565 -0.000 -9.166) 11.884 3.944 ( -3.601 0.000 2.460) 4.361 4.496 ( -0.551 0.000 -0.546) 0.776 4.531 ( 1.897 -0.000 -4.620) 4.995 4.656 ( 0.378 -0.000 0.413) 0.560 4.854 ( 0.898 -0.000 -0.293) 0.945 4.947 ( -2.473 0.000 0.093) 2.475 5.189 ( -6.161 0.000 9.269) 11.130 5.438 ( -3.119 0.000 2.558) 4.034 5.938 ( 3.946 -0.000 -1.744) 4.314 6.493 ( 0.725 -0.000 0.797) 1.078 10.591 ( -0.259 0.000 -2.101) 2.117 12.078 ( 1.627 -0.000 -0.894) 1.856 12.252 ( -0.291 0.000 1.348) 1.379 14.808 ( 1.650 -0.000 6.239) 6.454 17.708 ( -1.741 0.000 -12.485) 12.606 19.897 ( 0.122 -0.000 -3.245) 3.248 ======================= Grid point 294 (128/324) ======================= q-point: ( 0.50 0.43 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 7.795 1.520 -5.183) 9.483 1.898 ( 6.243 -2.103 -2.158) 6.932 1.910 ( 2.673 -3.903 -6.882) 8.351 2.034 ( -10.260 4.703 -2.214) 11.502 2.153 ( 8.934 -12.133 2.916) 15.347 2.328 ( -0.792 -0.492 -4.260) 4.361 2.492 ( -4.048 -3.472 5.355) 7.557 2.625 ( -1.172 -2.425 2.510) 3.682 2.774 ( -3.482 -10.318 3.073) 11.315 3.280 ( 1.753 4.833 -0.408) 5.157 3.588 ( 7.271 -10.781 -4.684) 13.822 3.933 ( -4.434 -0.292 1.318) 4.635 4.500 ( 1.901 1.429 -5.321) 5.828 4.550 ( 0.475 -5.867 -0.850) 5.947 4.725 ( -0.306 -6.472 0.315) 6.487 4.852 ( -0.873 -0.031 1.727) 1.935 5.022 ( -0.966 -8.473 -1.309) 8.628 5.189 ( -4.845 1.168 9.079) 10.357 5.423 ( -2.117 1.267 2.636) 3.610 5.889 ( 2.383 6.251 -1.646) 6.890 6.373 ( 0.033 12.262 -0.506) 12.272 10.797 ( -0.802 -21.948 -0.442) 21.967 12.039 ( 0.160 3.947 -1.732) 4.313 12.272 ( 0.044 -1.475 1.555) 2.144 14.754 ( -0.359 8.948 6.248) 10.919 17.659 ( 4.987 0.530 -10.383) 11.530 19.804 ( -0.597 7.792 -4.417) 8.977 ======================= Grid point 295 (129/324) ======================= q-point: (-0.43 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 4.134 -0.533 -2.111) 4.672 1.903 ( -2.138 1.841 3.896) 4.811 1.974 ( -3.271 -6.951 -10.891) 13.328 2.011 ( 1.973 -5.602 -6.992) 9.173 2.296 ( 0.210 -1.963 -4.633) 5.036 2.444 ( 4.981 -6.048 5.320) 9.471 2.568 ( 2.027 -6.729 2.369) 7.416 2.667 ( -3.551 -1.341 6.852) 7.833 3.006 ( -5.827 -14.512 0.105) 15.639 3.279 ( 4.453 -4.117 1.971) 6.377 3.800 ( 6.238 -8.665 -3.840) 11.347 3.933 ( -6.699 -3.900 0.244) 7.755 4.461 ( 1.930 1.186 -5.442) 5.894 4.693 ( 1.987 -8.987 -1.291) 9.294 4.843 ( -2.979 -4.452 0.832) 5.421 4.893 ( 0.907 -5.561 2.735) 6.263 5.168 ( -1.881 -1.205 6.200) 6.591 5.220 ( -0.485 -9.204 -0.466) 9.229 5.398 ( -0.998 1.748 2.831) 3.473 5.732 ( 0.504 10.382 -1.415) 10.490 6.099 ( -0.143 15.513 -1.992) 15.642 11.294 ( -1.151 -29.252 3.031) 29.432 11.937 ( -0.912 5.170 -1.508) 5.462 12.312 ( 1.389 -1.258 1.990) 2.733 14.556 ( -1.582 14.301 5.607) 15.442 17.649 ( 8.059 -0.203 -8.528) 11.735 19.579 ( -1.672 13.252 -5.077) 14.290 ======================= Grid point 296 (130/324) ======================= q-point: (-0.36 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 1.746 -3.423 -2.146) 4.401 1.932 ( 2.286 -2.617 4.013) 5.309 2.013 ( -8.268 -6.891 -12.059) 16.163 2.111 ( 4.589 -6.541 -6.321) 10.188 2.308 ( 0.793 -0.250 -0.892) 1.219 2.540 ( 0.868 -2.571 3.108) 4.126 2.689 ( -5.181 -4.328 7.540) 10.120 2.785 ( 6.242 -7.229 4.670) 10.632 3.175 ( -3.458 -7.627 -2.015) 8.614 3.502 ( 3.509 -13.391 3.431) 14.262 3.870 ( -0.465 -1.440 -2.932) 3.300 4.065 ( -4.124 -11.756 -2.056) 12.627 4.429 ( 1.192 0.936 -4.086) 4.358 4.872 ( 3.018 -9.469 -1.744) 10.090 4.898 ( -2.750 -3.651 1.791) 4.909 5.041 ( 1.319 -7.248 2.036) 7.643 5.185 ( 0.189 0.334 5.453) 5.467 5.361 ( -2.487 -0.625 1.675) 3.063 5.400 ( 2.233 -2.287 0.337) 3.214 5.544 ( -0.548 5.792 -2.342) 6.271 5.827 ( 0.059 12.291 -2.308) 12.506 11.656 ( -1.963 -2.566 -3.004) 4.411 12.005 ( -0.162 -18.952 7.984) 20.565 12.341 ( 3.329 0.739 2.747) 4.379 14.289 ( -2.383 15.796 5.030) 16.748 17.679 ( 7.578 -2.546 -7.605) 11.033 19.276 ( -2.430 15.595 -4.875) 16.519 ======================= Grid point 297 (131/324) ======================= q-point: (-0.29 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 2.813 -6.294 -2.272) 7.258 1.986 ( -2.693 -3.199 -6.011) 7.323 2.085 ( 1.437 -6.470 -3.861) 7.671 2.228 ( 6.494 -5.183 -5.454) 9.939 2.339 ( -1.043 -3.298 7.269) 8.050 2.564 ( -3.514 -0.253 3.228) 4.778 2.833 ( -2.103 -9.472 5.104) 10.963 2.968 ( 4.867 -8.087 1.781) 9.606 3.249 ( 0.710 -2.568 -2.961) 3.983 3.720 ( -1.583 -4.484 9.357) 10.495 3.885 ( -0.913 -3.722 -6.894) 7.887 4.244 ( -3.144 -10.596 -4.489) 11.930 4.399 ( -0.326 1.054 -1.897) 2.194 4.958 ( -3.415 -3.523 1.198) 5.051 5.043 ( 2.394 -8.099 -1.475) 8.574 5.164 ( 1.474 -2.027 2.089) 3.263 5.207 ( 0.338 -1.412 2.538) 2.924 5.328 ( 1.726 2.777 0.583) 3.321 5.358 ( -0.863 0.730 2.275) 2.540 5.574 ( -0.955 -3.211 -1.968) 3.885 5.651 ( 2.518 5.666 -2.324) 6.621 11.585 ( -2.079 2.901 -3.386) 4.919 12.272 ( -0.124 2.192 2.410) 3.260 12.508 ( 4.406 -18.426 11.238) 22.028 14.010 ( -2.290 15.169 3.670) 15.774 17.758 ( 5.383 -5.820 -6.640) 10.341 18.957 ( -1.927 15.300 -3.727) 15.865 ======================= Grid point 298 (132/324) ======================= q-point: (-0.21 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 3.186 -4.707 -0.784) 5.738 2.018 ( -1.627 -6.625 -9.202) 11.455 2.166 ( 3.131 -2.382 -1.097) 4.084 2.302 ( 4.565 -0.835 0.295) 4.650 2.500 ( 1.422 -8.710 8.546) 12.285 2.585 ( -2.421 -3.494 0.444) 4.274 3.025 ( -2.557 -10.831 0.769) 11.155 3.147 ( 2.698 -8.043 0.254) 8.487 3.264 ( 3.509 0.260 -0.716) 3.591 3.741 ( -0.875 3.481 7.429) 8.250 3.909 ( -2.524 -0.890 -4.620) 5.339 4.306 ( -3.456 -0.150 -5.254) 6.291 4.397 ( -1.016 -1.818 -1.343) 2.478 4.995 ( -3.285 -2.167 0.773) 4.010 5.153 ( -0.743 -0.719 1.519) 1.838 5.189 ( 0.504 -5.912 -1.678) 6.166 5.246 ( -0.088 -1.585 0.141) 1.593 5.371 ( 1.539 -2.494 2.318) 3.736 5.402 ( 2.531 -3.966 2.977) 5.567 5.553 ( -1.995 0.815 -0.774) 2.290 5.625 ( 4.885 1.539 -3.371) 6.132 11.543 ( -1.727 -1.067 -1.986) 2.840 12.169 ( -0.235 8.705 1.915) 8.916 12.899 ( 3.054 -15.196 11.005) 19.009 13.745 ( -1.039 13.783 0.596) 13.835 17.889 ( 2.793 -8.793 -5.076) 10.530 18.673 ( -0.399 13.466 -2.025) 13.624 ======================= Grid point 299 (133/324) ======================= q-point: (-0.14 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 1.279 -1.705 -0.352) 2.160 2.121 ( -0.978 -7.073 -7.361) 10.255 2.219 ( 2.321 -2.492 1.001) 3.550 2.335 ( 2.657 -0.415 4.497) 5.239 2.640 ( 0.835 -3.330 0.497) 3.469 2.703 ( 1.858 -6.945 2.221) 7.525 3.154 ( -0.614 -3.634 -6.020) 7.059 3.255 ( -1.413 -3.995 2.914) 5.143 3.351 ( 4.314 -6.600 4.865) 9.265 3.685 ( 0.685 4.645 -0.825) 4.767 3.843 ( -3.242 3.990 1.264) 5.294 4.231 ( -2.596 2.819 -5.274) 6.520 4.401 ( -0.358 0.039 -0.870) 0.942 5.005 ( -3.002 -0.265 1.309) 3.286 5.163 ( -1.618 -0.520 0.908) 1.927 5.280 ( -1.389 -3.196 -0.976) 3.619 5.296 ( 0.421 -4.078 -0.935) 4.205 5.440 ( 3.043 -2.849 1.249) 4.352 5.473 ( 1.651 1.235 3.938) 4.444 5.550 ( -1.572 -1.894 -1.225) 2.749 5.604 ( 4.091 -0.012 -2.929) 5.032 11.588 ( -1.083 -5.071 -0.825) 5.250 11.989 ( -1.081 10.840 1.632) 11.015 13.190 ( 1.834 -9.850 9.122) 13.549 13.503 ( 0.237 11.190 -3.606) 11.759 18.058 ( 0.454 -10.608 -3.119) 11.067 18.445 ( 0.943 10.930 -0.389) 10.978 ======================= Grid point 300 (134/324) ======================= q-point: (-0.07 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 0.683 -2.059 1.533) 2.656 2.153 ( -0.966 -0.815 -3.762) 3.969 2.298 ( -2.896 -5.194 0.535) 5.971 2.383 ( 1.793 0.424 5.643) 5.936 2.693 ( 1.791 -1.384 0.922) 2.444 2.761 ( 0.333 1.788 -3.222) 3.700 3.159 ( 1.528 -0.988 -5.926) 6.199 3.282 ( -0.576 2.897 4.678) 5.532 3.506 ( -3.286 1.818 2.993) 4.802 3.599 ( -0.442 -5.606 -3.093) 6.418 3.773 ( 0.896 4.407 1.294) 4.680 4.184 ( 2.247 -1.011 -2.491) 3.504 4.397 ( 0.100 -0.151 -0.517) 0.548 4.986 ( -2.043 1.674 2.280) 3.489 5.157 ( -0.420 0.953 0.341) 1.096 5.282 ( 0.643 1.673 -0.730) 1.935 5.342 ( 0.731 0.781 -0.029) 1.070 5.425 ( 2.140 2.834 -1.627) 3.906 5.504 ( 1.938 -1.527 0.345) 2.491 5.567 ( -3.517 -1.526 -0.861) 3.929 5.666 ( 0.123 -4.753 1.316) 4.934 11.681 ( -0.816 -2.917 0.363) 3.050 11.816 ( 0.254 4.945 0.232) 4.957 13.222 ( 1.914 10.670 -3.167) 11.294 13.450 ( -1.118 -7.669 2.751) 8.224 18.229 ( -0.273 -3.296 0.551) 3.353 18.297 ( 0.249 0.072 -0.955) 0.989 ======================= Grid point 308 (135/324) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 11.645 -0.000 -8.406) 14.362 1.805 ( -6.924 0.000 -5.542) 8.869 1.887 ( -3.636 0.000 -8.587) 9.325 2.069 ( 8.242 -0.000 3.454) 8.937 2.083 ( 0.863 -0.000 1.514) 1.743 2.310 ( -1.134 0.000 0.216) 1.155 2.446 ( -1.409 0.000 3.281) 3.571 2.564 ( -8.037 0.000 0.866) 8.083 2.710 ( -0.141 0.000 4.565) 4.567 3.383 ( -0.656 0.000 0.558) 0.862 3.477 ( 14.961 -0.000 -4.649) 15.667 3.914 ( -3.991 0.000 0.219) 3.997 4.490 ( 0.352 -0.000 -0.608) 0.703 4.502 ( 1.938 -0.000 -6.361) 6.649 4.660 ( -0.282 0.000 0.433) 0.517 4.857 ( 0.145 -0.000 -0.357) 0.385 4.923 ( -1.904 0.000 0.278) 1.924 5.218 ( -5.303 0.000 10.424) 11.695 5.436 ( -1.480 0.000 2.697) 3.076 5.952 ( 1.709 -0.000 -1.727) 2.429 6.491 ( -1.640 0.000 -0.133) 1.646 10.568 ( 0.243 -0.000 -2.935) 2.945 12.066 ( -1.029 0.000 -1.971) 2.224 12.262 ( -0.385 0.000 1.699) 1.742 14.857 ( -3.037 0.000 5.845) 6.587 17.671 ( 12.292 -0.000 -8.551) 14.973 19.848 ( -1.351 0.000 -6.029) 6.179 ======================= Grid point 309 (136/324) ======================= q-point: (-0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 7.178 2.169 -5.846) 9.508 1.754 ( -11.934 -3.255 -9.544) 15.624 1.853 ( -5.273 -4.355 -4.982) 8.461 2.051 ( 5.895 4.519 2.754) 7.922 2.215 ( 0.736 -4.599 -0.083) 4.658 2.348 ( 9.974 -8.185 -2.666) 13.175 2.521 ( -2.433 -1.697 6.889) 7.501 2.590 ( -9.298 -8.297 1.685) 12.575 2.764 ( -1.208 -5.627 2.898) 6.444 3.322 ( 4.251 3.898 0.840) 5.829 3.649 ( 10.154 -8.882 -3.035) 13.827 3.884 ( -4.498 0.619 -0.826) 4.615 4.467 ( 2.029 1.199 -6.537) 6.949 4.552 ( 1.361 -6.242 -0.856) 6.445 4.720 ( -0.974 -5.920 0.404) 6.013 4.861 ( -0.783 -0.926 2.408) 2.696 5.003 ( -0.164 -8.699 -1.427) 8.817 5.227 ( -3.772 1.083 9.545) 10.320 5.432 ( -0.676 1.107 2.903) 3.179 5.890 ( 0.483 6.490 -1.297) 6.636 6.353 ( -2.136 12.329 -1.359) 12.586 10.789 ( 0.430 -23.463 -0.598) 23.474 12.011 ( -1.891 3.933 -1.789) 4.716 12.290 ( 0.159 -2.107 1.968) 2.888 14.779 ( -4.371 8.504 4.656) 10.635 17.697 ( 15.784 2.006 -7.305) 17.508 19.736 ( -2.365 7.670 -7.011) 10.657 ======================= Grid point 310 (137/324) ======================= q-point: (-0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -1.846 0.034 -2.664) 3.241 1.751 ( -8.597 -8.258 -13.834) 18.262 1.895 ( -2.892 -3.273 -0.580) 4.406 2.059 ( 6.467 -1.253 2.166) 6.934 2.271 ( 2.996 -3.242 -4.746) 6.481 2.529 ( -0.067 -1.790 7.265) 7.482 2.613 ( 4.598 -6.860 -1.064) 8.327 2.693 ( -4.481 -7.378 6.335) 10.707 2.957 ( -2.864 -12.841 1.465) 13.238 3.341 ( 4.937 -4.485 -0.816) 6.720 3.842 ( 2.949 -2.391 -0.260) 3.805 3.848 ( -3.982 -6.905 -3.101) 8.553 4.430 ( 1.925 0.836 -5.870) 6.234 4.706 ( 2.395 -9.251 -1.050) 9.614 4.825 ( -2.286 -4.669 1.622) 5.446 4.927 ( 0.850 -5.684 2.774) 6.382 5.195 ( 0.557 -11.479 -1.086) 11.544 5.232 ( -0.868 0.900 6.935) 7.047 5.419 ( -0.175 1.384 3.192) 3.483 5.721 ( -0.444 10.898 -1.088) 10.962 6.068 ( -1.595 15.059 -2.695) 15.381 11.324 ( 1.877 -29.379 3.406) 29.635 11.913 ( -1.818 3.386 0.170) 3.847 12.349 ( 1.538 -2.370 2.332) 3.664 14.564 ( -4.872 13.588 4.029) 14.986 17.699 ( 13.914 2.485 -8.273) 16.378 19.496 ( -3.596 12.732 -6.749) 14.852 ======================= Grid point 311 (138/324) ======================= q-point: (-0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -1.955 -5.198 -3.044) 6.333 1.812 ( -8.468 -8.725 -10.887) 16.320 1.964 ( 2.993 -5.192 -1.463) 6.169 2.165 ( 8.568 -4.482 1.111) 9.733 2.320 ( 1.902 -1.924 0.939) 2.864 2.584 ( 0.596 -0.229 4.147) 4.196 2.698 ( -3.177 -5.405 3.677) 7.268 2.873 ( 3.549 -7.132 2.348) 8.305 3.138 ( -2.271 -8.246 0.838) 8.594 3.537 ( 1.530 -13.427 -2.563) 13.755 3.832 ( -5.098 -1.131 2.332) 5.719 4.009 ( -0.187 -9.636 -4.571) 10.666 4.403 ( 0.701 0.620 -3.947) 4.056 4.881 ( -0.585 -6.233 0.537) 6.283 4.896 ( 0.656 -6.289 0.803) 6.374 5.075 ( 1.537 -7.319 1.924) 7.722 5.245 ( 1.603 0.865 4.682) 5.024 5.347 ( -2.470 -3.133 1.786) 4.371 5.428 ( 1.485 0.947 0.834) 1.949 5.526 ( 1.399 5.174 -2.079) 5.749 5.803 ( -0.345 11.205 -2.657) 11.521 11.617 ( -0.523 0.705 -2.126) 2.300 12.091 ( 1.426 -20.262 9.181) 22.290 12.411 ( 4.339 -2.359 3.768) 6.212 14.288 ( -4.941 15.083 3.627) 16.281 17.698 ( 9.106 -0.541 -9.474) 13.151 19.196 ( -3.568 14.302 -5.039) 15.578 ======================= Grid point 312 (139/324) ======================= q-point: (-0.21 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 2.648 -9.314 -1.429) 9.788 1.855 ( -5.253 -4.518 -7.579) 10.268 2.095 ( 3.681 -7.685 -4.120) 9.465 2.299 ( 13.041 -2.607 -2.332) 13.501 2.406 ( 0.022 -5.787 8.858) 10.581 2.574 ( -2.187 1.896 5.212) 5.962 2.829 ( -3.340 -8.901 0.406) 9.516 3.019 ( 3.591 -7.130 -0.895) 8.033 3.252 ( 1.608 -3.895 0.690) 4.270 3.745 ( -4.338 -10.136 -0.660) 11.046 3.828 ( -2.866 1.259 3.289) 4.540 4.163 ( -2.399 -9.482 -6.496) 11.742 4.375 ( -1.312 0.674 -1.444) 2.064 4.937 ( -2.794 -2.659 1.799) 4.255 5.054 ( 1.110 -7.752 -0.476) 7.845 5.184 ( -0.027 -0.734 1.430) 1.607 5.239 ( 1.459 1.400 1.286) 2.397 5.354 ( 1.903 0.757 -0.558) 2.123 5.374 ( 0.741 -1.357 2.802) 3.200 5.553 ( -0.567 -0.447 -0.697) 1.003 5.664 ( 3.878 2.675 -2.416) 5.295 11.545 ( -0.936 2.932 -1.496) 3.422 12.279 ( -1.702 2.095 1.370) 3.027 12.688 ( 8.543 -16.868 12.498) 22.666 14.004 ( -3.847 14.641 2.319) 15.314 17.745 ( 4.400 -5.242 -8.859) 11.195 18.905 ( -1.828 13.607 -2.788) 14.010 ======================= Grid point 313 (140/324) ======================= q-point: (-0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 3.116 -1.434 1.213) 3.638 1.915 ( -0.699 -11.144 -6.576) 12.958 2.210 ( 5.545 -2.941 -1.536) 6.462 2.368 ( 7.856 0.200 -0.176) 7.861 2.586 ( -0.138 -2.978 2.462) 3.867 2.590 ( 1.574 -7.733 7.799) 11.095 2.978 ( -4.082 -9.864 -2.673) 11.004 3.159 ( 1.772 -6.530 -2.195) 7.114 3.323 ( 4.422 -2.329 2.540) 5.606 3.776 ( -0.389 4.273 -0.155) 4.294 3.843 ( -5.735 -2.922 2.152) 6.787 4.205 ( -6.012 -0.869 -5.193) 7.992 4.377 ( -0.858 -1.776 -1.074) 2.246 4.976 ( -2.209 -2.094 1.530) 3.406 5.148 ( -1.680 0.253 -0.851) 1.900 5.177 ( -0.989 -4.651 1.434) 4.966 5.249 ( 1.254 -1.406 -1.246) 2.259 5.407 ( 2.313 -3.109 1.280) 4.081 5.450 ( 1.875 -4.240 1.106) 4.765 5.535 ( -0.686 0.585 1.108) 1.429 5.655 ( 5.472 2.018 -2.726) 6.438 11.518 ( -0.796 -1.192 -0.378) 1.483 12.164 ( -2.342 8.387 0.335) 8.714 13.056 ( 6.567 -12.062 11.528) 17.931 13.733 ( -1.360 13.885 -0.216) 13.953 17.857 ( 0.992 -9.121 -6.640) 11.326 18.657 ( 0.255 12.069 -1.028) 12.115 ======================= Grid point 314 (141/324) ======================= q-point: (-0.07 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 1.539 -1.788 -0.047) 2.360 2.079 ( 1.468 -5.810 -1.046) 6.084 2.256 ( 4.144 -0.358 -0.886) 4.253 2.407 ( 3.020 -1.237 4.080) 5.224 2.671 ( 2.743 -3.287 1.788) 4.640 2.736 ( 1.535 -3.877 1.404) 4.400 3.091 ( -0.850 -5.023 -5.832) 7.744 3.260 ( -1.913 -5.135 1.740) 5.750 3.429 ( 3.236 -5.578 2.872) 7.059 3.647 ( -1.825 7.951 -5.552) 9.868 3.836 ( -3.688 1.538 4.909) 6.330 4.156 ( -2.459 -0.339 -4.460) 5.105 4.390 ( -0.182 -0.498 -0.806) 0.965 4.992 ( -2.402 -0.357 2.138) 3.235 5.147 ( -2.104 -1.136 0.041) 2.392 5.256 ( -1.204 -4.307 -0.648) 4.519 5.293 ( 0.210 -2.553 -0.356) 2.586 5.480 ( 3.104 -2.498 0.317) 3.997 5.514 ( -2.109 -2.044 -1.892) 3.494 5.533 ( 2.344 2.494 3.922) 5.206 5.629 ( 4.369 0.713 -2.161) 4.926 11.575 ( -0.620 -5.251 0.087) 5.289 11.977 ( -2.432 10.042 0.238) 10.335 13.305 ( 3.440 -7.182 9.316) 12.256 13.479 ( 1.270 12.817 -3.357) 13.310 18.023 ( -1.073 -11.387 -3.912) 12.088 18.454 ( 1.251 10.335 -0.202) 10.412 ======================= Grid point 323 (142/324) ======================= q-point: (-0.43 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 3.862 -0.000 -19.733) 20.108 1.638 ( -14.556 0.000 -4.710) 15.299 1.758 ( -5.807 0.000 3.998) 7.050 2.177 ( 12.730 -0.000 -1.495) 12.817 2.183 ( 7.584 -0.000 2.528) 7.994 2.318 ( 1.794 -0.000 -0.073) 1.795 2.344 ( -16.230 0.000 -2.549) 16.429 2.538 ( -4.519 0.000 6.577) 7.980 2.754 ( 1.478 -0.000 3.769) 4.048 3.389 ( 0.976 -0.000 0.492) 1.093 3.619 ( 15.565 -0.000 -2.800) 15.815 3.873 ( -2.259 0.000 -0.536) 2.322 4.460 ( 2.074 -0.000 -7.318) 7.606 4.493 ( 1.246 -0.000 -0.634) 1.397 4.658 ( -0.919 0.000 0.464) 1.029 4.851 ( -0.615 0.000 -0.391) 0.729 4.916 ( -0.621 0.000 1.203) 1.354 5.261 ( -3.883 0.000 9.954) 10.685 5.455 ( 0.214 -0.000 2.961) 2.969 5.947 ( -0.348 0.000 -0.780) 0.855 6.456 ( -4.011 0.000 -0.708) 4.073 10.543 ( 0.480 -0.000 -3.372) 3.406 12.030 ( -2.578 0.000 -1.163) 2.828 12.275 ( -0.238 0.000 1.914) 1.929 14.846 ( -6.200 0.000 3.162) 6.959 17.797 ( 21.644 -0.000 -6.253) 22.529 19.759 ( -2.808 0.000 -8.509) 8.960 ======================= Grid point 324 (143/324) ======================= q-point: (-0.36 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -4.820 -1.012 -15.790) 16.540 1.519 ( -15.906 -1.918 -7.159) 17.548 1.824 ( 2.707 -4.360 3.284) 6.093 2.123 ( -0.546 4.448 3.870) 5.922 2.214 ( 3.967 -1.552 -4.956) 6.535 2.410 ( 0.600 -12.861 -0.168) 12.876 2.519 ( -0.572 -11.357 0.711) 11.394 2.538 ( -4.847 -0.893 4.702) 6.812 2.801 ( 1.823 -3.519 3.713) 5.431 3.370 ( 4.130 2.652 -0.463) 4.930 3.719 ( 5.360 -4.226 -4.598) 8.230 3.855 ( 1.886 1.037 1.895) 2.868 4.429 ( 2.163 0.858 -6.841) 7.226 4.564 ( 2.116 -6.608 -0.710) 6.974 4.714 ( -1.089 -5.761 0.772) 5.913 4.879 ( -0.340 -2.402 2.947) 3.817 4.992 ( 0.544 -8.459 -1.472) 8.603 5.279 ( -1.910 0.715 8.741) 8.976 5.459 ( 0.491 1.254 3.181) 3.454 5.879 ( -1.248 6.568 0.003) 6.685 6.303 ( -4.392 12.216 -1.793) 13.104 10.800 ( 2.393 -26.672 0.010) 26.780 11.976 ( -2.628 3.653 -0.146) 4.502 12.310 ( 0.267 -2.741 2.042) 3.428 14.749 ( -6.833 7.836 2.713) 10.745 17.835 ( 21.240 5.321 -8.742) 23.577 19.630 ( -4.006 7.544 -8.582) 12.109 ======================= Grid point 325 (144/324) ======================= q-point: (-0.29 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -10.620 -3.177 -6.723) 12.965 1.524 ( -9.822 -10.135 -12.705) 18.990 1.927 ( 6.892 -2.276 0.874) 7.310 2.143 ( 2.281 -3.543 5.161) 6.663 2.270 ( 2.941 -4.293 -2.564) 5.801 2.553 ( -3.417 -3.110 2.082) 5.068 2.657 ( -0.117 -2.219 2.534) 3.370 2.669 ( -4.410 -14.783 2.838) 15.686 2.979 ( 3.357 -10.416 1.626) 11.064 3.361 ( 3.869 -2.422 -5.433) 7.096 3.763 ( -4.573 -3.593 -1.853) 6.103 3.905 ( 4.883 -2.254 2.273) 5.838 4.397 ( 1.674 0.554 -5.777) 6.040 4.725 ( 2.467 -9.153 -0.622) 9.500 4.823 ( -1.282 -5.016 2.122) 5.595 4.964 ( 1.245 -5.658 3.064) 6.554 5.184 ( 0.744 -10.832 -2.287) 11.095 5.300 ( 1.032 0.336 6.962) 7.046 5.450 ( 0.568 1.227 3.108) 3.389 5.706 ( -1.231 10.948 0.144) 11.018 6.016 ( -3.067 13.959 -3.031) 14.610 11.406 ( 6.847 -28.439 4.555) 29.604 11.908 ( -1.373 -0.303 2.866) 3.192 12.385 ( 1.436 -3.621 2.132) 4.441 14.529 ( -7.144 12.816 3.156) 15.008 17.763 ( 14.175 6.483 -13.412) 20.563 19.388 ( -4.949 11.662 -6.152) 14.084 ======================= Grid point 326 (145/324) ======================= q-point: (-0.21 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -5.719 -10.211 -5.785) 13.055 1.651 ( -5.435 -12.292 -7.477) 15.380 1.994 ( 6.071 -2.397 -2.824) 7.112 2.281 ( 5.479 -5.906 6.538) 10.375 2.378 ( 5.915 -4.065 2.607) 7.636 2.614 ( -1.197 -2.209 1.818) 3.101 2.685 ( -1.939 -2.559 0.872) 3.327 2.896 ( -1.713 -9.693 0.402) 9.851 3.137 ( 0.097 -7.074 1.004) 7.146 3.489 ( -1.651 -11.718 -6.297) 13.405 3.825 ( -3.146 -3.876 6.062) 7.853 3.979 ( 1.510 -4.704 -3.762) 6.209 4.371 ( -0.343 0.493 -3.593) 3.643 4.882 ( -0.683 -4.290 1.286) 4.531 4.913 ( 0.696 -7.156 1.022) 7.262 5.111 ( 2.157 -6.934 1.927) 7.513 5.277 ( -0.650 -0.397 0.560) 0.946 5.363 ( 0.615 -2.274 4.518) 5.095 5.438 ( 0.685 4.873 -1.213) 5.068 5.543 ( 2.995 2.303 0.237) 3.786 5.773 ( -0.655 9.214 -2.569) 9.588 11.612 ( 1.384 3.527 0.118) 3.790 12.188 ( 2.527 -14.966 6.506) 16.513 12.516 ( 7.591 -10.496 6.353) 14.427 14.252 ( -6.953 14.287 3.082) 16.185 17.677 ( 6.017 0.902 -14.670) 15.881 19.119 ( -3.505 12.500 -2.732) 13.267 ======================= Grid point 327 (146/324) ======================= q-point: (-0.14 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -2.454 -13.749 -5.179) 14.896 1.796 ( 1.736 -6.099 -0.537) 6.364 2.099 ( 4.635 -8.056 -3.820) 10.049 2.449 ( 15.669 -0.785 -0.129) 15.689 2.491 ( 1.387 -6.177 7.124) 9.530 2.604 ( -1.977 2.481 6.267) 7.024 2.773 ( -4.185 -8.404 -2.940) 9.838 3.028 ( 1.841 -7.026 -3.576) 8.096 3.283 ( 1.173 -6.396 1.907) 6.777 3.651 ( -6.381 -10.392 -3.652) 12.730 3.863 ( -3.133 1.977 8.984) 9.718 4.078 ( -1.553 -6.993 -7.476) 10.354 4.343 ( -2.622 -0.039 -0.943) 2.787 4.930 ( -1.631 -2.206 1.828) 3.297 5.055 ( -0.549 -6.598 -0.072) 6.621 5.203 ( 1.164 0.850 1.750) 2.267 5.250 ( -0.563 1.912 -0.031) 1.993 5.364 ( 2.808 -1.203 -2.491) 3.942 5.416 ( 2.219 -1.521 2.054) 3.385 5.549 ( -0.393 0.899 0.910) 1.338 5.690 ( 4.267 0.615 -1.668) 4.623 11.540 ( 0.528 3.478 0.652) 3.577 12.262 ( -2.294 3.342 -0.172) 4.057 12.910 ( 12.127 -15.596 11.052) 22.637 13.973 ( -5.150 13.642 1.999) 14.718 17.682 ( 1.070 -5.914 -11.548) 13.019 18.875 ( -0.907 12.077 -0.479) 12.120 ======================= Grid point 328 (147/324) ======================= q-point: (-0.07 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -1.968 -5.744 -4.922) 7.817 1.968 ( 6.533 -8.842 5.512) 12.298 2.248 ( 5.267 -4.728 -2.640) 7.554 2.461 ( 8.665 4.028 -0.360) 9.562 2.604 ( 0.882 -4.385 -0.740) 4.534 2.689 ( 3.101 -5.442 9.115) 11.059 2.907 ( -3.485 -9.707 -2.482) 10.608 3.149 ( 1.556 -6.461 -3.965) 7.739 3.388 ( 3.423 -3.276 1.953) 5.125 3.714 ( -3.880 0.658 -5.504) 6.766 3.845 ( -4.823 0.488 7.991) 9.347 4.092 ( -6.947 -1.603 -3.889) 8.121 4.359 ( -0.977 -2.343 -0.781) 2.656 4.973 ( -1.269 -1.926 1.872) 2.970 5.108 ( -2.617 -0.900 -1.966) 3.395 5.189 ( -0.368 -1.279 1.818) 2.253 5.251 ( 1.171 -1.893 -0.856) 2.385 5.432 ( 2.443 -3.858 -2.923) 5.422 5.465 ( 1.392 -2.038 0.649) 2.552 5.562 ( 0.609 -0.993 3.810) 3.984 5.690 ( 4.841 2.196 -1.821) 5.619 11.518 ( 0.046 -0.695 1.037) 1.249 12.130 ( -3.171 8.206 -1.011) 8.855 13.233 ( 8.860 -8.672 7.848) 14.673 13.717 ( -1.763 12.987 0.810) 13.131 17.792 ( -1.159 -10.306 -7.128) 12.584 18.661 ( 0.924 11.354 0.275) 11.395 ======================= Grid point 338 (148/324) ======================= q-point: (-0.36 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -8.789 0.000 -22.015) 23.704 1.416 ( -19.273 0.000 -3.650) 19.616 1.803 ( -1.707 0.000 5.997) 6.235 2.122 ( -16.911 0.000 -2.794) 17.141 2.279 ( 7.179 -0.000 0.971) 7.244 2.316 ( 16.904 -0.000 -3.791) 17.323 2.337 ( 1.369 -0.000 0.279) 1.397 2.522 ( -7.516 0.000 3.791) 8.417 2.812 ( 2.189 -0.000 4.240) 4.771 3.412 ( 2.416 -0.000 0.410) 2.450 3.698 ( 4.833 -0.000 -6.922) 8.443 3.909 ( 7.483 -0.000 4.512) 8.738 4.418 ( 2.351 -0.000 -7.082) 7.462 4.505 ( 2.045 -0.000 -0.612) 2.134 4.649 ( -1.417 0.000 0.499) 1.503 4.836 ( -1.342 0.000 -0.393) 1.399 4.932 ( 0.854 -0.000 2.064) 2.234 5.315 ( -1.336 0.000 8.278) 8.385 5.492 ( 1.261 -0.000 3.240) 3.477 5.934 ( -2.198 0.000 1.170) 2.490 6.394 ( -6.482 0.000 -0.250) 6.487 10.517 ( 0.405 -0.000 -3.344) 3.368 11.998 ( -2.780 0.000 0.868) 2.912 12.292 ( 0.118 -0.000 1.969) 1.973 14.793 ( -7.677 0.000 2.773) 8.162 17.984 ( 25.977 -0.000 -11.874) 28.562 19.638 ( -4.054 0.000 -9.670) 10.485 ======================= Grid point 339 (149/324) ======================= q-point: (-0.29 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -9.946 -5.639 -20.811) 23.745 1.289 ( -19.917 -1.309 -2.745) 20.148 1.892 ( -3.546 -8.637 4.919) 10.553 2.058 ( -7.263 -2.324 -1.821) 7.840 2.248 ( 7.489 1.881 -2.556) 8.134 2.413 ( -1.132 -8.185 4.912) 9.613 2.499 ( -6.596 -1.378 0.738) 6.778 2.575 ( 9.876 -10.892 -3.253) 15.059 2.860 ( 2.202 -3.299 3.951) 5.598 3.402 ( 4.025 3.324 -2.455) 5.768 3.675 ( -1.369 -1.304 -6.020) 6.310 3.963 ( 8.108 1.616 6.331) 10.413 4.391 ( 2.150 0.723 -6.635) 7.012 4.585 ( 2.614 -6.874 -0.392) 7.365 4.712 ( -0.821 -6.215 0.995) 6.347 4.905 ( 0.022 -5.375 2.901) 6.108 4.991 ( 1.742 -6.739 -1.123) 7.050 5.343 ( 0.496 0.353 6.903) 6.930 5.498 ( 1.284 1.617 3.140) 3.758 5.867 ( -2.767 6.564 2.261) 7.473 6.228 ( -6.780 12.145 -1.193) 13.960 10.851 ( 6.002 -32.987 1.711) 33.572 11.957 ( -2.324 3.281 1.880) 4.439 12.332 ( 0.409 -3.064 1.860) 3.608 14.695 ( -8.113 7.620 4.494) 12.003 17.949 ( 21.222 10.214 -19.925) 30.849 19.503 ( -5.322 6.990 -7.368) 11.466 ======================= Grid point 340 (150/324) ======================= q-point: (-0.21 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -11.760 -8.387 -9.751) 17.428 1.324 ( -9.758 -13.569 -8.136) 18.588 2.014 ( 7.850 0.098 -1.247) 7.949 2.174 ( -6.518 -13.827 4.699) 15.992 2.297 ( 3.052 -4.688 2.104) 5.976 2.512 ( -3.447 -4.183 -2.362) 5.913 2.610 ( -8.077 -11.649 5.644) 15.258 2.712 ( 4.923 -2.165 -0.925) 5.457 3.037 ( 4.891 -9.578 0.943) 10.796 3.329 ( 2.104 0.783 -8.176) 8.479 3.724 ( -0.281 -5.908 -0.908) 5.984 3.989 ( 3.406 2.141 6.081) 7.291 4.360 ( 1.025 0.520 -5.694) 5.809 4.747 ( 2.145 -8.716 -0.057) 8.977 4.831 ( -0.920 -5.458 1.925) 5.860 5.013 ( 2.198 -5.362 3.613) 6.829 5.174 ( 1.794 -9.683 -2.795) 10.237 5.374 ( 2.302 -0.087 5.331) 5.807 5.483 ( 1.158 1.731 1.663) 2.665 5.701 ( -1.780 10.309 2.486) 10.752 5.949 ( -4.468 12.279 -2.672) 13.337 11.559 ( 12.594 -22.864 5.581) 26.693 11.941 ( 1.422 -7.782 4.880) 9.294 12.420 ( 1.777 -5.521 2.076) 6.160 14.479 ( -8.794 12.968 5.439) 16.586 17.720 ( 8.224 9.486 -24.767) 27.767 19.292 ( -4.982 9.883 -2.289) 11.302 ======================= Grid point 341 (151/324) ======================= q-point: (-0.14 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -5.756 -14.474 -5.309) 16.456 1.556 ( -1.901 -17.194 -5.130) 18.043 2.039 ( 5.402 -0.933 -1.176) 5.606 2.391 ( 2.656 -7.680 7.748) 11.228 2.480 ( 6.880 -7.754 2.215) 10.600 2.572 ( -3.074 -6.870 -4.505) 8.771 2.694 ( -1.663 1.205 4.355) 4.815 2.852 ( -4.228 -11.420 -1.086) 12.226 3.147 ( 2.028 -4.341 -1.850) 5.136 3.420 ( -2.242 -10.554 -3.318) 11.288 3.858 ( 1.869 -7.119 1.643) 7.541 3.977 ( -0.006 1.882 2.239) 2.925 4.328 ( -2.062 0.585 -3.337) 3.966 4.887 ( -0.291 -3.622 0.948) 3.756 4.926 ( -0.429 -6.748 1.342) 6.894 5.160 ( 3.325 -6.388 2.298) 7.560 5.262 ( -1.257 -1.161 -0.742) 1.865 5.420 ( 1.895 0.079 3.559) 4.033 5.426 ( 0.858 5.000 -2.445) 5.632 5.581 ( 2.341 2.648 0.915) 3.651 5.747 ( -0.352 5.896 -1.490) 6.092 11.644 ( 2.429 5.751 1.977) 6.549 12.249 ( 1.962 -5.625 1.515) 6.147 12.700 ( 14.118 -19.488 7.730) 25.275 14.200 ( -8.633 13.963 4.303) 16.971 17.554 ( 0.143 -0.743 -19.196) 19.211 19.078 ( -2.423 10.845 0.766) 11.139 ======================= Grid point 342 (152/324) ======================= q-point: (-0.07 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -2.882 -13.597 -3.718) 14.387 1.838 ( 4.525 -13.155 0.684) 13.928 2.138 ( 5.779 -7.161 0.179) 9.203 2.528 ( 0.807 -1.428 -3.709) 4.056 2.591 ( 7.582 -4.189 -1.394) 8.774 2.653 ( -1.648 1.892 8.779) 9.131 2.741 ( 4.203 -8.096 2.495) 9.457 2.997 ( 0.313 -8.269 -5.342) 9.850 3.298 ( -0.597 -9.784 0.149) 9.804 3.565 ( -5.985 -8.362 0.027) 10.283 3.911 ( -2.932 3.951 8.412) 9.746 3.997 ( -1.239 -3.974 -6.616) 7.816 4.302 ( -3.669 -1.556 -0.510) 4.018 4.932 ( -0.775 -2.244 1.358) 2.735 5.042 ( -1.323 -4.809 -0.338) 4.999 5.233 ( -1.548 1.922 -0.688) 2.562 5.241 ( 2.125 2.014 2.450) 3.818 5.364 ( 3.704 -2.680 -5.262) 6.970 5.454 ( 1.994 -0.452 1.075) 2.310 5.561 ( -0.472 -0.145 2.593) 2.640 5.724 ( 3.898 -0.140 -0.719) 3.966 11.563 ( 1.279 4.282 1.896) 4.854 12.229 ( -2.063 4.779 -1.508) 5.420 13.131 ( 14.159 -13.111 4.933) 19.918 13.934 ( -6.074 12.235 3.073) 14.001 17.572 ( -1.728 -8.376 -10.501) 13.543 18.875 ( -0.144 11.184 1.444) 11.277 ======================= Grid point 353 (153/324) ======================= q-point: (-0.29 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -12.129 0.000 -22.774) 25.802 1.161 ( -22.843 0.000 -1.975) 22.928 1.671 ( -29.992 0.000 3.080) 30.150 2.048 ( 7.575 -0.000 -3.681) 8.423 2.327 ( 5.769 -0.000 -7.045) 9.106 2.378 ( 1.085 -0.000 7.069) 7.151 2.451 ( -4.871 0.000 -2.824) 5.631 2.477 ( 14.403 -0.000 0.398) 14.409 2.871 ( 1.557 -0.000 4.420) 4.686 3.447 ( 3.290 -0.000 0.277) 3.301 3.637 ( -0.788 0.000 -9.053) 9.087 4.071 ( 10.014 -0.000 7.818) 12.705 4.383 ( 2.492 -0.000 -6.748) 7.194 4.526 ( 2.676 -0.000 -0.532) 2.728 4.637 ( -1.676 0.000 0.506) 1.750 4.815 ( -2.000 0.000 -0.360) 2.033 4.970 ( 2.064 -0.000 2.605) 3.324 5.380 ( 1.372 -0.000 5.907) 6.064 5.539 ( 2.196 -0.000 2.901) 3.638 5.925 ( -3.489 0.000 3.800) 5.159 6.320 ( -8.918 0.000 3.016) 9.414 10.492 ( 0.181 -0.000 -2.712) 2.718 11.988 ( -2.123 0.000 2.525) 3.299 12.312 ( 0.477 -0.000 1.725) 1.790 14.753 ( -8.110 0.000 8.873) 12.022 18.090 ( 26.479 -0.000 -31.200) 40.922 19.508 ( -5.188 0.000 -7.147) 8.832 ======================= Grid point 354 (154/324) ======================= q-point: (-0.21 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -11.972 -8.873 -19.058) 24.193 1.041 ( -21.452 -4.310 -2.027) 21.975 1.725 ( -27.425 -20.653 3.113) 34.473 2.067 ( 8.272 0.991 -4.578) 9.506 2.301 ( 5.123 0.671 -1.504) 5.382 2.418 ( -5.810 -1.690 -2.706) 6.628 2.471 ( 1.133 -5.415 6.651) 8.651 2.653 ( 10.934 -7.206 -5.086) 14.048 2.923 ( 2.534 -3.850 4.965) 6.775 3.404 ( 2.353 6.466 -5.362) 8.724 3.616 ( -0.887 -4.220 -3.283) 5.419 4.114 ( 6.661 4.115 8.359) 11.453 4.352 ( 1.766 0.877 -6.782) 7.063 4.612 ( 2.666 -6.934 0.080) 7.429 4.714 ( -0.368 -6.707 0.916) 6.779 4.928 ( 1.006 -10.707 0.929) 10.794 5.014 ( 3.031 -3.295 0.392) 4.494 5.413 ( 2.547 0.198 4.672) 5.325 5.541 ( 2.169 2.313 1.826) 3.658 5.864 ( -3.507 6.505 4.687) 8.751 6.142 ( -9.331 12.911 2.073) 16.064 10.980 ( 13.976 -44.025 4.498) 46.409 11.958 ( -1.567 2.974 2.607) 4.254 12.352 ( 0.538 -3.168 1.489) 3.541 14.677 ( -8.623 9.124 13.046) 18.105 17.872 ( 14.030 15.618 -42.636) 47.525 19.398 ( -5.698 5.602 -1.845) 8.201 ======================= Grid point 355 (155/324) ======================= q-point: (-0.14 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -9.647 -14.338 -7.344) 18.777 1.166 ( -7.665 -18.686 -5.480) 20.927 2.061 ( 3.016 -1.202 -2.457) 4.071 2.085 ( -15.031 -25.287 4.205) 29.716 2.362 ( 4.262 -4.055 2.058) 6.233 2.435 ( -4.195 -4.663 -4.843) 7.924 2.617 ( -1.392 -6.273 6.324) 9.016 2.752 ( 5.160 -2.473 -2.131) 6.106 3.101 ( 4.489 -8.015 2.121) 9.428 3.273 ( 1.489 2.100 -7.656) 8.077 3.730 ( 2.366 -7.556 -1.032) 7.984 4.085 ( 2.275 5.284 8.129) 9.959 4.313 ( -0.166 0.870 -5.770) 5.838 4.769 ( 1.395 -8.067 0.464) 8.200 4.835 ( -1.090 -5.497 1.325) 5.759 5.076 ( 2.959 -5.181 3.697) 7.020 5.173 ( 3.242 -8.380 -3.483) 9.637 5.444 ( 3.092 -0.002 3.589) 4.737 5.500 ( 1.377 3.446 -0.949) 3.831 5.713 ( -1.755 9.082 3.821) 10.008 5.876 ( -5.686 10.124 -0.805) 11.639 11.745 ( 10.541 -4.395 4.365) 12.227 12.047 ( 12.016 -20.763 3.429) 24.233 12.476 ( 5.642 -11.409 2.847) 13.042 14.445 ( -10.904 15.442 10.283) 21.520 17.484 ( -1.922 6.456 -32.960) 33.641 19.245 ( -3.948 8.244 2.177) 9.397 ======================= Grid point 356 (156/324) ======================= q-point: (-0.07 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -3.927 -17.303 -2.250) 17.885 1.515 ( 1.435 -21.719 -3.386) 22.028 2.086 ( 3.619 -2.448 0.415) 4.389 2.470 ( -3.034 -3.525 -1.096) 4.779 2.477 ( 2.312 -8.707 -0.489) 9.022 2.540 ( -1.769 -20.100 0.722) 20.191 2.704 ( -5.010 -1.949 6.438) 8.387 2.842 ( 3.778 -5.030 0.289) 6.297 3.145 ( 3.416 -1.653 -4.753) 6.082 3.385 ( -1.988 -10.040 0.540) 10.249 3.878 ( 4.623 -6.792 -5.081) 9.660 4.028 ( -0.413 5.487 9.112) 10.645 4.264 ( -4.330 0.650 -3.131) 5.383 4.891 ( -0.299 -3.053 0.349) 3.087 4.928 ( -1.189 -6.557 1.102) 6.755 5.219 ( 2.769 -4.924 2.273) 6.089 5.245 ( 0.689 -2.081 -1.428) 2.616 5.401 ( 0.320 6.390 -3.314) 7.205 5.475 ( 2.209 0.294 2.656) 3.467 5.598 ( 0.362 4.143 -0.560) 4.196 5.745 ( 0.668 1.876 0.443) 2.041 11.690 ( 1.944 6.964 2.177) 7.551 12.267 ( 1.503 0.004 -1.087) 1.855 12.934 ( 19.688 -20.072 1.225) 28.142 14.140 ( -10.765 13.759 4.994) 18.170 17.372 ( -3.058 -6.080 -13.870) 15.450 19.074 ( -1.774 9.863 2.692) 10.376 ======================= Grid point 368 (157/324) ======================= q-point: (-0.21 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -14.962 0.000 -21.056) 25.830 0.892 ( -25.803 0.000 1.222) 25.832 1.313 ( -38.036 0.000 1.766) 38.077 2.102 ( 9.509 -0.000 -8.034) 12.448 2.307 ( 4.127 -0.000 -8.739) 9.665 2.364 ( -6.634 0.000 -0.909) 6.696 2.458 ( 1.080 -0.000 7.455) 7.533 2.634 ( 16.008 -0.000 -4.628) 16.664 2.935 ( 2.179 -0.000 6.356) 6.719 3.486 ( 3.428 -0.000 0.052) 3.428 3.534 ( -2.792 0.000 -8.854) 9.283 4.244 ( 7.224 -0.000 8.664) 11.280 4.345 ( 2.174 -0.000 -7.247) 7.566 4.553 ( 2.960 -0.000 -0.402) 2.987 4.624 ( -1.493 0.000 0.446) 1.559 4.787 ( -2.550 0.000 -0.287) 2.566 5.019 ( 2.414 -0.000 2.454) 3.442 5.449 ( 3.401 -0.000 3.504) 4.883 5.588 ( 3.351 -0.000 0.909) 3.472 5.925 ( -3.438 0.000 3.511) 4.913 6.287 ( -9.248 0.000 14.703) 17.370 10.474 ( 0.031 -0.000 -1.421) 1.422 11.992 ( -1.426 0.000 2.171) 2.597 12.331 ( 0.611 -0.000 1.074) 1.236 14.822 ( -5.781 0.000 26.308) 26.936 17.912 ( 19.115 -0.000 -67.537) 70.190 19.414 ( -5.726 0.000 0.085) 5.726 ======================= Grid point 369 (158/324) ======================= q-point: (-0.14 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -12.072 -14.637 -12.013) 22.456 0.798 ( -20.803 -9.445 -0.238) 22.848 1.441 ( -30.038 -28.492 4.837) 41.683 2.084 ( 5.038 1.372 -8.173) 9.699 2.317 ( -1.170 -2.958 -1.892) 3.701 2.340 ( 0.290 -1.601 -5.309) 5.553 2.550 ( 1.375 -4.869 7.130) 8.743 2.707 ( 8.668 -2.771 -6.938) 11.443 3.018 ( 4.848 -4.073 7.303) 9.665 3.358 ( -0.510 7.503 -5.767) 9.477 3.602 ( 0.971 -6.751 -0.497) 6.839 4.237 ( 2.624 5.244 4.101) 7.155 4.314 ( 2.055 1.692 -3.281) 4.225 4.641 ( 1.906 -6.678 0.554) 6.967 4.720 ( 0.122 -6.547 0.677) 6.583 4.949 ( 4.495 -14.901 -2.411) 15.750 5.055 ( 2.632 -1.810 1.204) 3.413 5.480 ( 3.900 0.249 2.262) 4.515 5.575 ( 2.862 3.364 -0.268) 4.425 5.863 ( -3.251 5.760 1.422) 6.765 6.084 ( -11.656 17.485 11.214) 23.820 11.267 ( 32.646 -58.912 4.551) 67.507 11.961 ( -0.982 2.711 0.726) 2.973 12.371 ( 0.892 -3.748 0.931) 3.964 14.768 ( -8.215 17.230 26.645) 32.777 17.449 ( -4.081 12.798 -59.533) 61.029 19.350 ( -5.049 4.370 3.498) 7.538 ======================= Grid point 370 (159/324) ======================= q-point: (-0.07 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -5.810 -19.295 -1.199) 20.186 1.069 ( -3.067 -24.255 -2.594) 24.586 1.928 ( -17.870 -32.482 4.523) 37.349 2.075 ( 1.529 -2.862 -1.683) 3.655 2.354 ( -2.911 -4.328 -3.483) 6.272 2.408 ( 3.467 -4.959 -1.695) 6.284 2.667 ( -0.711 -3.415 6.248) 7.156 2.785 ( 5.353 -4.552 -3.632) 7.909 3.173 ( 3.104 -2.879 3.764) 5.665 3.234 ( 2.631 -0.277 -4.885) 5.555 3.749 ( 2.963 -7.990 -1.280) 8.617 4.167 ( 0.386 4.707 3.326) 5.776 4.263 ( -0.516 3.228 -1.522) 3.606 4.783 ( 0.267 -7.482 0.718) 7.521 4.831 ( -1.141 -5.005 0.534) 5.162 5.133 ( 2.365 -5.285 1.641) 6.018 5.182 ( 4.444 -6.731 -3.422) 8.762 5.492 ( 2.317 2.914 -1.576) 4.043 5.514 ( 2.704 2.539 1.903) 4.169 5.711 ( -2.080 8.244 -0.698) 8.531 5.821 ( -6.512 7.634 3.299) 10.563 11.835 ( 1.941 6.188 1.705) 6.706 12.216 ( 14.344 -11.428 -2.474) 18.506 12.626 ( 21.911 -24.204 -3.533) 32.839 14.393 ( -17.253 19.926 7.880) 27.510 17.190 ( -4.279 -4.582 -14.084) 15.417 19.234 ( -3.552 7.412 3.606) 8.976 ======================= Grid point 383 (160/324) ======================= q-point: (-0.14 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( -16.610 0.000 -6.339) 17.779 0.638 ( -27.417 0.000 7.598) 28.451 0.909 ( -40.773 0.000 5.349) 41.122 2.083 ( 4.639 -0.000 -12.117) 12.975 2.262 ( 3.990 -0.000 -10.816) 11.528 2.296 ( -4.867 0.000 -1.195) 5.011 2.534 ( -0.138 0.000 8.158) 8.159 2.708 ( 9.675 -0.000 -9.497) 13.557 3.054 ( 6.527 -0.000 8.718) 10.891 3.428 ( -4.682 0.000 -5.037) 6.877 3.519 ( 2.858 -0.000 -0.248) 2.868 4.271 ( 0.604 -0.000 -10.055) 10.073 4.393 ( 3.193 -0.000 8.654) 9.224 4.578 ( 1.691 -0.000 -0.208) 1.703 4.618 ( 0.323 -0.000 0.259) 0.414 4.755 ( -2.935 0.000 -0.168) 2.940 5.058 ( 1.319 -0.000 1.169) 1.763 5.512 ( 4.435 -0.000 0.227) 4.441 5.627 ( 3.857 -0.000 -0.423) 3.880 5.889 ( -4.571 0.000 -2.186) 5.067 6.442 ( 2.304 -0.000 26.019) 26.120 10.470 ( 0.059 -0.000 0.367) 0.372 11.988 ( -1.200 0.000 -0.108) 1.205 12.343 ( 0.430 -0.000 0.060) 0.434 15.172 ( 9.548 -0.000 41.856) 42.932 17.236 ( -11.306 0.000 -76.881) 77.708 19.381 ( -5.389 0.000 4.897) 7.281 ======================= Grid point 384 (161/324) ======================= q-point: (-0.07 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -6.792 -19.119 4.884) 20.869 0.614 ( -14.133 -18.126 3.724) 23.284 1.199 ( -26.052 -35.226 11.080) 45.192 2.049 ( 3.494 0.180 -7.182) 7.989 2.268 ( -2.953 -2.363 -0.796) 3.865 2.307 ( 2.929 -5.310 -8.310) 10.287 2.625 ( 0.075 -4.233 7.539) 8.646 2.722 ( 7.035 -2.127 -7.774) 10.698 3.144 ( 4.642 -2.479 7.732) 9.353 3.308 ( -1.473 5.735 -2.257) 6.337 3.615 ( 1.137 -7.136 0.308) 7.232 4.197 ( -0.801 1.996 -9.052) 9.304 4.379 ( 2.004 5.188 7.125) 9.039 4.660 ( 0.429 -6.215 0.693) 6.268 4.726 ( -0.021 -5.647 0.387) 5.661 4.986 ( 10.113 -17.193 -7.186) 21.202 5.081 ( 0.449 -1.937 0.560) 2.066 5.524 ( 3.255 0.594 -2.201) 3.974 5.609 ( 3.581 3.872 0.754) 5.328 5.808 ( -4.416 4.426 -3.198) 7.023 6.060 ( -16.074 24.518 11.849) 31.621 11.715 ( 54.211 -65.516 -21.573) 87.730 11.944 ( -1.130 3.562 -1.364) 3.978 12.385 ( 1.930 -5.849 -2.147) 6.522 14.777 ( -29.338 33.076 -5.741) 44.584 17.090 ( 8.326 -2.580 20.876) 22.623 19.334 ( -5.038 4.112 4.164) 7.722 ======================= Grid point 398 (162/324) ======================= q-point: (-0.07 -0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( -10.328 0.000 14.413) 17.732 0.473 ( -22.491 0.000 18.290) 28.989 0.628 ( -27.156 0.000 27.027) 38.313 2.076 ( 9.686 -0.000 -2.999) 10.139 2.200 ( 4.415 -0.000 -12.580) 13.332 2.248 ( 0.647 -0.000 4.370) 4.417 2.601 ( -1.637 0.000 8.499) 8.655 2.709 ( 7.095 -0.000 -8.617) 11.162 3.187 ( 3.230 -0.000 6.531) 7.286 3.355 ( -5.346 0.000 1.773) 5.632 3.541 ( 1.738 -0.000 -0.545) 1.821 4.168 ( -0.240 0.000 -11.277) 11.280 4.482 ( -0.242 0.000 7.664) 7.667 4.581 ( -0.390 0.000 -0.076) 0.398 4.639 ( 2.828 -0.000 0.040) 2.828 4.722 ( -2.946 0.000 0.004) 2.946 5.063 ( -0.748 0.000 -0.536) 0.920 5.528 ( 0.846 -0.000 -4.638) 4.714 5.671 ( 3.412 -0.000 0.783) 3.501 5.806 ( -5.030 0.000 -3.391) 6.066 6.500 ( -19.052 0.000 -18.270) 26.396 10.483 ( 0.191 -0.000 2.268) 2.276 11.971 ( -0.744 0.000 -1.050) 1.286 12.341 ( 0.028 -0.000 -1.092) 1.093 14.768 ( -61.779 0.000 -55.917) 83.327 17.900 ( 126.224 -0.000 110.001) 167.430 19.367 ( -5.541 0.000 4.542) 7.165 ======================= Grid point 399 (163/324) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 4.051 -0.000 16.759) 17.241 0.991 ( -6.208 0.000 21.373) 22.256 1.567 ( 0.351 -0.000 28.479) 28.481 1.755 ( -0.023 0.000 -14.419) 14.419 1.810 ( 5.886 -0.000 -16.384) 17.410 2.452 ( 4.598 -0.000 -2.407) 5.190 2.550 ( 3.991 -0.000 -6.788) 7.874 2.791 ( -1.980 0.000 4.747) 5.143 3.349 ( 5.469 -0.000 1.424) 5.651 3.528 ( 0.357 -0.000 -0.825) 0.899 3.530 ( -1.043 0.000 9.472) 9.529 3.826 ( -3.732 0.000 -9.857) 10.540 4.543 ( 1.299 -0.000 -3.605) 3.832 4.572 ( -0.189 0.000 -0.181) 0.262 4.661 ( 0.113 -0.000 -0.055) 0.126 4.707 ( 0.171 -0.000 0.253) 0.305 5.033 ( -3.265 0.000 1.510) 3.598 5.403 ( -1.285 0.000 -1.319) 1.841 5.608 ( -2.518 0.000 -3.678) 4.457 5.731 ( -0.874 0.000 0.931) 1.277 6.167 ( -5.076 0.000 3.053) 5.923 10.604 ( 0.275 -0.000 4.005) 4.015 11.861 ( -2.013 0.000 -3.023) 3.632 12.274 ( -0.404 0.000 -2.280) 2.315 14.232 ( -1.279 0.000 2.769) 3.050 19.344 ( -7.303 0.000 1.509) 7.458 19.653 ( 28.765 -0.000 -2.482) 28.872 ======================= Grid point 400 (164/324) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 9.034 -14.393 11.151) 20.325 1.210 ( -1.289 -12.859 18.811) 22.823 1.682 ( 4.205 -1.495 -13.643) 14.355 1.786 ( -3.040 -10.822 19.361) 22.387 1.907 ( 4.929 -11.104 -14.569) 18.970 2.432 ( -0.659 0.980 2.183) 2.482 2.544 ( 4.442 -1.333 -8.313) 9.519 2.832 ( -3.763 -3.350 4.103) 6.497 3.342 ( -7.055 2.783 1.168) 7.674 3.436 ( 9.620 3.585 1.648) 10.398 3.692 ( 4.670 -3.277 0.401) 5.719 3.759 ( -8.113 -3.473 -3.595) 9.529 4.517 ( 1.393 1.265 -2.903) 3.459 4.632 ( -0.211 -5.325 -0.881) 5.402 4.710 ( -1.779 -5.167 0.796) 5.522 4.840 ( 1.778 -9.588 -2.851) 10.160 5.060 ( -2.095 -6.250 0.499) 6.611 5.377 ( -0.129 2.214 -0.328) 2.242 5.548 ( -3.690 2.877 -1.982) 5.082 5.699 ( -0.856 3.160 0.831) 3.378 6.056 ( 1.171 10.006 3.740) 10.746 10.984 ( -2.138 -33.896 -5.599) 34.422 11.810 ( -0.463 3.340 -1.796) 3.821 12.275 ( -0.013 -1.257 -1.862) 2.246 14.205 ( 3.514 4.828 2.347) 6.416 19.216 ( -18.575 10.734 1.498) 21.506 19.469 ( 22.831 24.054 2.924) 33.292 ======================= Grid point 401 (165/324) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 5.292 -18.602 4.347) 19.823 1.522 ( 2.013 -11.614 15.298) 19.312 1.753 ( 3.263 -9.115 -6.427) 11.620 1.972 ( 1.236 -6.572 -12.581) 14.248 2.158 ( -0.196 -16.980 4.875) 17.667 2.425 ( -2.000 1.305 -0.182) 2.395 2.666 ( 2.479 -13.885 1.089) 14.147 2.891 ( -6.686 -3.332 4.925) 8.947 3.243 ( -3.611 2.698 -1.894) 4.889 3.486 ( 8.194 -1.862 -0.492) 8.417 3.616 ( -0.024 4.583 -6.445) 7.908 3.928 ( -3.333 -11.327 5.707) 13.114 4.492 ( 1.289 1.167 -1.643) 2.392 4.727 ( -0.425 -4.889 -1.447) 5.116 4.798 ( -2.442 -3.177 3.126) 5.083 4.932 ( 0.322 -4.776 -3.641) 6.014 5.276 ( -1.658 -13.156 -2.989) 13.592 5.315 ( 2.115 3.969 1.138) 4.639 5.470 ( -3.061 2.103 -0.391) 3.734 5.633 ( -0.724 2.983 0.735) 3.156 5.907 ( 3.247 8.424 1.890) 9.224 11.525 ( -5.143 -24.017 -9.357) 26.284 11.759 ( 1.178 -2.884 -1.156) 3.323 12.292 ( 1.137 -0.752 -1.918) 2.353 14.119 ( 4.871 7.567 1.109) 9.068 18.767 ( -13.375 23.542 3.737) 27.333 19.273 ( 10.206 11.872 3.841) 16.120 ======================= Grid point 402 (166/324) ======================= q-point: ( 0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -0.652 -15.208 -0.915) 15.249 1.794 ( 2.620 -10.042 11.732) 15.663 1.956 ( -3.912 -11.799 -5.777) 13.707 2.048 ( 6.390 -9.645 -6.015) 13.041 2.355 ( -0.229 3.063 -1.388) 3.370 2.481 ( -1.289 -14.665 0.482) 14.730 2.905 ( -8.627 -0.772 4.045) 9.559 3.020 ( -0.052 -18.118 7.319) 19.540 3.221 ( 1.563 -3.229 -5.260) 6.367 3.456 ( -0.471 5.325 -6.634) 8.520 3.614 ( 4.041 -3.669 3.031) 6.243 4.141 ( -0.507 -10.045 3.441) 10.630 4.470 ( 0.932 1.552 0.055) 1.811 4.742 ( 0.529 1.498 -1.110) 1.938 4.869 ( -3.001 -5.989 0.406) 6.711 5.025 ( 3.598 -4.383 -2.536) 6.212 5.218 ( 1.042 4.954 -0.326) 5.073 5.397 ( -3.788 -1.636 0.022) 4.127 5.460 ( -0.364 -0.000 -0.518) 0.633 5.664 ( -1.571 -6.716 1.358) 7.030 5.802 ( 1.365 4.786 0.402) 4.993 11.577 ( 1.149 3.823 -0.271) 4.001 12.051 ( -4.082 -20.517 -4.016) 21.301 12.282 ( 1.951 1.161 -4.619) 5.147 14.006 ( 3.570 7.397 0.465) 8.226 18.359 ( -10.085 14.333 0.756) 17.542 19.123 ( 5.673 11.238 3.124) 12.970 ======================= Grid point 403 (167/324) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -2.262 -6.877 -1.549) 7.404 2.043 ( -0.941 -12.566 6.201) 14.044 2.081 ( -2.044 -8.817 -6.062) 10.893 2.277 ( -0.931 0.474 -0.271) 1.080 2.335 ( 2.592 -12.148 0.059) 12.421 2.697 ( -2.849 -8.482 3.243) 9.517 2.892 ( -3.222 -1.505 0.491) 3.590 3.163 ( -3.155 1.151 -1.151) 3.550 3.358 ( 1.265 0.088 -7.271) 7.380 3.413 ( -1.970 -11.375 5.266) 12.689 3.740 ( 3.417 -7.322 2.744) 8.533 4.275 ( 3.115 -1.382 0.637) 3.467 4.445 ( 0.348 1.781 0.889) 2.020 4.754 ( 2.498 -3.888 -0.375) 4.637 4.964 ( -0.144 -5.203 -2.087) 5.608 5.090 ( 4.300 -1.636 -0.433) 4.621 5.152 ( 1.004 2.397 -0.568) 2.660 5.396 ( -3.060 -0.619 -0.598) 3.178 5.464 ( -1.707 -1.946 -0.017) 2.589 5.695 ( -3.555 2.722 1.931) 4.876 5.813 ( -1.143 -4.114 0.156) 4.273 11.529 ( 2.655 2.157 1.554) 3.758 12.161 ( 1.583 6.128 -1.602) 6.529 12.399 ( -2.574 -16.533 -3.545) 17.104 13.894 ( 0.981 6.574 0.467) 6.663 18.139 ( -6.841 4.750 -2.213) 8.617 18.944 ( 2.927 12.226 2.099) 12.745 ======================= Grid point 404 (168/324) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -1.804 -5.407 -0.082) 5.701 2.110 ( 0.897 3.132 -1.765) 3.706 2.285 ( -6.313 -13.773 -3.019) 15.449 2.328 ( 1.931 -5.746 4.334) 7.452 2.488 ( -5.502 -3.343 0.242) 6.443 2.788 ( -3.307 -1.385 7.004) 7.869 2.976 ( 3.281 -7.655 -2.026) 8.571 3.105 ( -2.210 0.110 -2.631) 3.438 3.382 ( 0.540 -4.734 -6.970) 8.443 3.517 ( -6.636 -1.041 7.458) 10.036 3.910 ( 4.237 -4.779 -1.136) 6.487 4.256 ( 7.142 4.231 -0.341) 8.308 4.417 ( 0.188 1.552 -0.376) 1.608 4.894 ( 2.821 -7.457 2.757) 8.436 5.039 ( 3.090 -4.340 -3.161) 6.195 5.119 ( 1.631 0.018 -1.570) 2.264 5.176 ( 1.649 -4.392 1.513) 4.930 5.387 ( -2.499 -0.334 -1.299) 2.836 5.495 ( -1.752 -2.059 0.191) 2.710 5.629 ( -5.510 2.285 1.268) 6.099 5.841 ( -1.771 0.552 0.412) 1.900 11.550 ( 2.550 -2.094 1.916) 3.816 12.017 ( 1.663 8.431 -2.799) 9.037 12.674 ( -0.473 -14.597 2.029) 14.745 13.772 ( -1.389 6.906 0.743) 7.083 18.075 ( -3.778 -1.882 -3.389) 5.413 18.725 ( 0.554 13.356 0.833) 13.393 ======================= Grid point 405 (169/324) ======================= q-point: ( 0.43 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 1.819 4.514 2.436) 5.443 2.063 ( -0.741 -5.028 -1.639) 5.340 2.335 ( -3.734 2.253 -2.657) 5.106 2.501 ( -5.097 -10.082 1.787) 11.437 2.533 ( -0.645 -4.292 3.858) 5.807 2.796 ( 0.575 1.648 3.641) 4.037 3.043 ( 0.011 -0.139 -4.475) 4.477 3.204 ( 2.133 -9.645 -1.529) 9.996 3.436 ( -3.939 -2.045 -0.659) 4.487 3.526 ( -5.430 -3.244 2.187) 6.692 3.888 ( 2.843 6.663 -1.000) 7.313 4.228 ( 7.965 3.807 -2.427) 9.155 4.392 ( 0.486 0.920 -0.549) 1.176 5.028 ( 0.166 -3.233 4.572) 5.602 5.116 ( 0.484 -2.961 -0.901) 3.132 5.177 ( 4.585 -6.434 -2.493) 8.285 5.287 ( 2.562 -5.404 0.902) 6.048 5.362 ( -2.091 0.854 -1.579) 2.755 5.517 ( -1.669 -1.152 0.399) 2.067 5.563 ( -4.625 2.300 0.253) 5.172 5.786 ( -1.556 4.090 0.157) 4.379 11.641 ( 1.053 -5.540 1.190) 5.763 11.862 ( 0.967 7.858 -1.526) 8.063 12.949 ( 1.736 -13.528 3.350) 14.044 13.640 ( -1.823 6.678 1.200) 7.025 18.125 ( -1.175 -6.450 -3.094) 7.249 18.472 ( -1.168 14.080 -0.138) 14.129 ======================= Grid point 406 (170/324) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 2.061 5.229 1.522) 5.823 2.148 ( -1.644 -4.210 -1.683) 4.823 2.273 ( 1.327 1.727 2.814) 3.558 2.571 ( 2.019 3.397 3.366) 5.191 2.643 ( -1.438 -6.278 -1.080) 6.530 2.806 ( 3.352 -1.489 0.208) 3.674 3.005 ( 0.118 2.088 -2.536) 3.287 3.326 ( -3.675 -1.063 -4.540) 5.937 3.429 ( -3.083 -2.741 4.006) 5.751 3.553 ( -2.169 1.335 0.353) 2.572 3.815 ( 2.084 -0.906 -1.358) 2.648 4.162 ( 2.514 5.071 -1.249) 5.797 4.384 ( 0.564 0.235 -0.327) 0.693 5.058 ( -0.944 0.382 2.754) 2.936 5.153 ( -1.289 -0.098 0.164) 1.303 5.273 ( 1.491 -0.857 -0.994) 1.987 5.322 ( -0.364 0.835 -0.169) 0.927 5.417 ( 1.382 -4.153 -1.715) 4.701 5.500 ( -1.491 -1.019 -0.155) 1.812 5.533 ( 1.353 0.461 0.039) 1.430 5.705 ( -0.397 3.425 0.802) 3.540 11.701 ( -0.126 5.016 1.513) 5.241 11.791 ( -0.922 -5.600 -1.581) 5.891 13.198 ( 2.295 -10.445 -0.252) 10.697 13.545 ( 0.360 2.930 2.387) 3.797 18.201 ( -1.678 13.020 -0.960) 13.162 18.267 ( 0.553 -8.832 -0.914) 8.897 ======================= Grid point 407 (171/324) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 1.467 6.157 2.281) 6.727 2.178 ( -0.725 -2.218 -5.344) 5.831 2.313 ( 6.216 0.584 6.842) 9.263 2.492 ( 4.027 6.087 0.183) 7.301 2.659 ( 0.805 4.400 0.022) 4.473 2.883 ( 4.508 -3.576 -4.587) 7.359 2.965 ( 1.362 2.008 2.966) 3.832 3.199 ( -1.593 7.940 -2.143) 8.377 3.404 ( -3.842 4.309 -3.715) 6.865 3.597 ( -1.174 -5.545 4.763) 7.403 3.884 ( 0.223 -3.939 -2.100) 4.469 4.082 ( -4.812 2.556 2.108) 5.842 4.380 ( 0.119 0.604 0.159) 0.636 5.045 ( -1.310 1.660 2.281) 3.110 5.101 ( -3.895 3.198 -0.299) 5.048 5.218 ( 0.025 5.217 -2.169) 5.650 5.309 ( 1.292 1.205 0.792) 1.937 5.386 ( -1.134 2.040 -3.665) 4.345 5.523 ( 1.415 1.305 0.215) 1.936 5.608 ( 5.244 -4.379 -1.595) 7.016 5.688 ( 0.609 -0.668 3.812) 3.918 11.607 ( -0.697 4.277 1.989) 4.768 11.908 ( -2.156 -7.827 -2.492) 8.492 13.281 ( 3.150 0.852 -8.056) 8.692 13.614 ( 1.416 -7.500 4.018) 8.625 17.948 ( -1.136 12.921 1.612) 13.071 18.469 ( 1.270 -11.933 0.107) 12.001 ======================= Grid point 408 (172/324) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 0.559 8.725 2.978) 9.236 2.128 ( 3.415 8.289 -2.626) 9.342 2.348 ( 3.149 -0.322 2.569) 4.077 2.409 ( 5.586 8.343 -0.937) 10.084 2.566 ( 1.022 2.674 -2.287) 3.664 2.855 ( -0.971 4.033 -0.502) 4.178 2.981 ( 4.017 1.919 2.612) 5.162 3.076 ( 5.269 7.100 2.993) 9.335 3.290 ( -1.150 2.365 -9.181) 9.550 3.676 ( -3.678 -0.777 5.390) 6.571 3.872 ( -2.904 3.559 -3.927) 6.043 4.068 ( -7.172 -2.958 6.629) 10.204 4.355 ( -1.100 2.394 1.310) 2.942 5.005 ( -3.043 2.111 -2.674) 4.568 5.014 ( -0.087 3.503 1.026) 3.651 5.144 ( -0.575 0.445 -2.997) 3.084 5.268 ( -0.929 3.622 -1.728) 4.119 5.348 ( 3.193 1.074 -0.653) 3.432 5.502 ( 1.819 1.990 0.083) 2.697 5.659 ( 3.025 -0.108 0.405) 3.054 5.745 ( 1.868 -1.384 3.187) 3.945 11.571 ( -0.832 -0.128 1.599) 1.807 12.025 ( -1.703 -7.520 -3.142) 8.326 13.186 ( 6.487 6.545 -13.727) 16.533 13.786 ( -1.752 -8.888 1.455) 9.175 17.744 ( 0.833 10.786 6.273) 12.506 18.705 ( 0.340 -12.596 1.372) 12.675 ======================= Grid point 409 (173/324) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -0.100 12.613 5.149) 13.624 1.896 ( 5.076 18.425 0.499) 19.118 2.210 ( -0.666 9.703 -3.042) 10.190 2.417 ( 3.149 -1.206 1.042) 3.529 2.494 ( 0.271 5.383 -5.887) 7.982 2.819 ( -0.442 -0.697 2.218) 2.367 2.914 ( 3.272 8.134 -1.594) 8.911 3.002 ( 6.375 6.606 6.645) 11.333 3.183 ( -2.018 7.268 -3.679) 8.392 3.617 ( -3.880 7.348 4.784) 9.588 3.745 ( -2.346 3.294 -6.766) 7.883 4.157 ( -3.183 -5.792 6.778) 9.467 4.289 ( -2.683 4.625 2.829) 6.049 4.920 ( -1.659 3.166 -2.243) 4.220 4.998 ( 1.519 0.871 -2.292) 2.885 5.150 ( -2.047 -2.223 -4.247) 5.212 5.190 ( -0.254 1.347 -2.873) 3.183 5.362 ( 4.099 -0.209 1.229) 4.285 5.475 ( 1.549 1.549 -0.370) 2.222 5.669 ( -0.329 0.854 3.711) 3.822 5.764 ( 2.894 1.464 0.703) 3.319 11.612 ( -1.198 -4.250 -0.039) 4.416 12.139 ( -0.049 -6.818 -2.512) 7.266 12.979 ( 9.298 12.707 -20.449) 25.808 13.921 ( -5.911 -8.072 -0.597) 10.023 17.638 ( 4.650 6.769 14.231) 16.431 18.936 ( -1.861 -11.926 2.062) 12.246 ======================= Grid point 410 (174/324) ======================= q-point: (-0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.021 15.154 10.231) 18.284 1.540 ( 3.758 22.905 2.640) 23.361 2.024 ( -1.894 8.531 -3.734) 9.503 2.331 ( -2.203 7.986 -4.338) 9.351 2.420 ( 1.304 2.939 -4.196) 5.286 2.724 ( -2.418 14.394 -4.450) 15.259 2.770 ( 3.797 14.043 9.745) 17.510 2.926 ( -5.625 0.768 7.628) 9.509 3.067 ( 5.283 1.120 -2.625) 6.005 3.462 ( 1.453 8.536 2.552) 9.027 3.700 ( 1.616 -1.076 -7.824) 8.061 4.163 ( -5.429 5.908 1.014) 8.087 4.305 ( 1.369 -5.331 6.825) 8.768 4.847 ( -0.825 3.062 -3.003) 4.368 4.936 ( -0.888 5.218 0.304) 5.301 5.106 ( 1.416 2.612 -7.577) 8.139 5.231 ( -1.296 -3.688 -0.612) 3.957 5.410 ( 3.756 -2.152 0.515) 4.359 5.483 ( 0.336 -2.921 -1.920) 3.511 5.632 ( 0.021 5.130 2.877) 5.882 5.770 ( -0.473 -2.316 0.702) 2.466 11.700 ( -2.026 -6.304 -1.925) 6.896 12.241 ( 1.996 -4.024 -1.218) 4.654 12.609 ( 9.389 22.054 -27.857) 36.750 14.024 ( -9.478 -8.478 -1.479) 12.802 17.718 ( 12.322 -2.370 25.724) 28.621 19.132 ( -4.760 -10.281 2.269) 11.554 ======================= Grid point 411 (175/324) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 2.889 21.276 10.045) 23.705 1.197 ( -1.117 15.065 14.563) 20.983 1.840 ( -0.150 8.593 -6.035) 10.502 2.078 ( -9.682 18.467 5.439) 21.549 2.255 ( 1.991 11.336 -9.765) 15.094 2.434 ( -3.169 9.737 7.229) 12.534 2.619 ( 4.752 5.598 -5.047) 8.909 2.885 ( -1.655 4.719 5.793) 7.653 3.163 ( 6.965 -6.591 -0.808) 9.623 3.371 ( 1.563 3.923 3.441) 5.447 3.696 ( 4.321 0.555 -5.909) 7.342 4.015 ( -7.778 5.664 -0.737) 9.650 4.432 ( 2.793 -4.262 3.355) 6.101 4.759 ( 0.679 5.235 -2.885) 6.015 4.829 ( -2.909 5.364 1.390) 6.259 5.009 ( 2.150 5.342 -6.590) 8.752 5.223 ( 1.579 6.455 0.936) 6.711 5.436 ( -0.987 0.888 -3.793) 4.019 5.541 ( -0.802 -4.957 -4.729) 6.898 5.608 ( 0.981 -3.640 1.898) 4.221 5.862 ( -4.716 -8.420 3.337) 10.212 11.790 ( -2.599 -5.444 -2.549) 6.549 11.961 ( 8.206 37.869 -28.924) 48.353 12.306 ( -0.484 -1.280 -3.024) 3.319 14.120 ( -10.677 -8.421 -0.883) 13.627 18.162 ( 26.524 -21.042 34.632) 48.432 19.277 ( -7.944 -7.967 2.380) 11.500 ======================= Grid point 412 (176/324) ======================= q-point: (-0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 1.420 16.352 13.348) 21.156 1.059 ( -4.414 10.297 21.408) 24.162 1.606 ( -3.723 15.941 18.078) 24.388 1.806 ( -2.162 3.517 -7.862) 8.880 1.998 ( 3.584 11.462 -14.237) 18.626 2.391 ( 3.230 -1.089 3.905) 5.184 2.563 ( 4.817 1.029 -7.057) 8.606 2.819 ( -1.104 3.900 4.721) 6.222 3.302 ( 9.583 -1.151 1.445) 9.760 3.380 ( -3.255 -5.369 3.856) 7.368 3.648 ( 3.166 5.868 0.125) 6.669 3.892 ( -7.385 1.036 -6.210) 9.704 4.514 ( 2.210 -2.614 -0.527) 3.463 4.646 ( -0.040 5.609 -1.783) 5.885 4.723 ( -1.311 5.111 0.295) 5.285 4.847 ( 2.655 11.834 -3.936) 12.751 5.078 ( -1.505 5.158 0.076) 5.373 5.411 ( -3.154 -1.114 -2.674) 4.282 5.603 ( -0.607 -3.462 -4.434) 5.658 5.696 ( -0.344 -3.649 1.006) 3.801 6.050 ( -7.114 -12.417 3.599) 14.756 11.075 ( 1.269 43.698 -12.842) 45.564 11.854 ( -2.750 -3.721 -3.503) 5.803 12.296 ( -0.178 0.730 -2.356) 2.473 14.198 ( -7.490 -5.136 1.198) 9.161 19.026 ( 42.577 -31.982 19.196) 56.605 19.361 ( -12.502 -6.569 3.456) 14.539 ======================= Grid point 414 (177/324) ======================= q-point: ( 0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 13.407 -0.000 11.361) 17.574 1.147 ( 0.412 -0.000 19.373) 19.378 1.612 ( -2.522 0.000 -12.644) 12.893 1.736 ( 8.262 -0.000 -16.770) 18.695 1.828 ( 6.012 -0.000 19.993) 20.878 2.437 ( -0.491 0.000 -4.131) 4.160 2.521 ( 2.777 -0.000 -7.722) 8.206 2.793 ( -4.701 0.000 3.641) 5.946 3.334 ( -8.521 0.000 -0.980) 8.577 3.519 ( -0.746 0.000 -0.624) 0.973 3.635 ( -0.157 0.000 6.374) 6.376 3.729 ( 4.929 -0.000 -5.658) 7.504 4.522 ( 1.497 -0.000 -4.130) 4.393 4.570 ( 0.118 -0.000 -0.082) 0.143 4.643 ( -2.342 0.000 0.019) 2.342 4.730 ( 2.964 -0.000 0.031) 2.964 5.014 ( -3.624 0.000 2.747) 4.547 5.404 ( 1.645 -0.000 0.705) 1.790 5.544 ( -4.965 0.000 -1.120) 5.090 5.728 ( -0.764 0.000 0.510) 0.918 6.194 ( 3.119 -0.000 3.633) 4.788 10.635 ( -0.237 0.000 2.501) 2.512 11.837 ( 0.999 -0.000 -0.808) 1.285 12.253 ( -0.303 0.000 -1.327) 1.361 14.291 ( 6.980 -0.000 1.532) 7.146 19.195 ( -20.292 0.000 -0.568) 20.300 19.810 ( 11.677 -0.000 -7.827) 14.057 ======================= Grid point 415 (178/324) ======================= q-point: ( 0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 12.148 -9.428 5.080) 16.195 1.374 ( 3.466 -11.892 14.341) 18.950 1.586 ( -1.458 -5.767 -8.530) 10.399 1.795 ( 7.213 -7.550 -16.778) 19.761 1.998 ( 5.182 -5.995 15.023) 16.985 2.432 ( -2.223 -0.996 2.134) 3.238 2.508 ( 4.145 -3.118 -9.762) 11.054 2.811 ( -6.239 -3.091 3.138) 7.638 3.238 ( -11.773 2.411 -1.248) 12.081 3.512 ( 5.214 0.005 -3.006) 6.019 3.634 ( -4.625 0.279 -5.958) 7.547 3.797 ( 4.377 -4.181 8.672) 10.576 4.501 ( 1.225 0.701 -3.253) 3.546 4.621 ( -0.878 -4.539 -0.581) 4.659 4.702 ( -1.173 -6.621 1.091) 6.812 4.835 ( 0.843 -6.422 -1.431) 6.633 5.048 ( -1.449 -6.362 1.441) 6.683 5.396 ( 1.800 2.428 1.451) 3.353 5.491 ( -5.070 2.297 0.239) 5.571 5.697 ( -0.061 3.064 0.162) 3.069 6.124 ( 5.339 10.106 2.597) 11.720 10.928 ( -2.835 -27.503 -1.196) 27.674 11.816 ( 2.656 3.046 0.428) 4.064 12.263 ( 0.082 -1.552 -0.917) 1.805 14.286 ( 8.305 5.590 0.501) 10.023 18.965 ( -26.014 10.777 -4.111) 28.456 19.645 ( 11.331 16.563 -1.784) 20.147 ======================= Grid point 416 (179/324) ======================= q-point: ( 0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 6.114 -13.024 -3.393) 14.783 1.620 ( 0.315 -10.509 -1.052) 10.567 1.766 ( 0.753 -10.837 6.983) 12.913 1.899 ( 6.944 -8.035 -9.806) 14.455 2.236 ( 4.043 -11.676 5.776) 13.640 2.401 ( -1.443 2.593 -0.439) 3.000 2.706 ( 1.492 -16.232 1.866) 16.406 2.845 ( -8.184 -3.340 3.484) 9.501 3.157 ( -6.485 -0.915 -3.771) 7.557 3.501 ( 0.827 2.814 -7.640) 8.183 3.604 ( 3.717 -1.591 -0.471) 4.071 3.969 ( -0.513 -9.031 7.270) 11.605 4.483 ( 0.860 0.532 -2.657) 2.843 4.706 ( -1.060 -5.334 -1.114) 5.551 4.810 ( -1.860 -1.616 4.261) 4.922 4.911 ( 0.559 -6.439 -2.074) 6.788 5.234 ( -1.332 -9.137 -1.404) 9.340 5.356 ( 1.022 2.483 1.935) 3.310 5.432 ( -3.600 0.391 0.917) 3.735 5.633 ( 0.409 3.072 0.101) 3.101 5.962 ( 4.556 10.315 0.567) 11.290 11.431 ( -4.809 -25.902 0.102) 26.345 11.779 ( 3.062 1.018 0.476) 3.262 12.286 ( 0.680 -0.720 -1.580) 1.865 14.191 ( 7.285 9.041 0.064) 11.611 18.542 ( -22.277 15.262 -7.146) 27.933 19.419 ( 9.825 14.545 2.212) 17.691 ======================= Grid point 417 (180/324) ======================= q-point: ( 0.29 0.07 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.651 -13.906 -3.979) 14.478 1.756 ( -4.566 -8.993 -10.664) 14.678 1.979 ( 5.162 -8.929 5.761) 11.814 2.118 ( 4.752 -11.354 5.027) 13.296 2.330 ( -1.059 2.602 -1.693) 3.280 2.507 ( 0.999 -12.092 4.337) 12.885 2.819 ( -10.911 -2.913 0.754) 11.318 3.094 ( 0.484 -12.781 6.496) 14.345 3.163 ( -1.916 -7.584 -5.005) 9.286 3.394 ( -0.893 3.844 -5.300) 6.608 3.685 ( 5.657 -3.266 0.345) 6.541 4.171 ( 0.293 -9.766 3.151) 10.266 4.464 ( 0.475 0.687 -2.771) 2.894 4.758 ( 1.770 0.358 1.509) 2.353 4.847 ( -2.504 -4.988 1.377) 5.749 5.044 ( 2.552 -5.937 -1.213) 6.575 5.233 ( 1.970 4.486 0.045) 4.900 5.352 ( -5.014 -1.220 0.531) 5.188 5.448 ( -1.079 0.115 -0.287) 1.123 5.658 ( -1.765 -5.791 1.179) 6.168 5.817 ( 1.496 6.843 -0.567) 7.028 11.615 ( 2.983 2.760 3.338) 5.259 12.000 ( -4.125 -21.554 2.314) 22.067 12.261 ( 1.005 2.916 -3.464) 4.638 14.053 ( 4.650 9.226 0.444) 10.341 18.183 ( -14.311 8.360 -8.363) 18.564 19.217 ( 6.130 13.754 2.150) 15.211 ======================= Grid point 418 (181/324) ======================= q-point: ( 0.36 0.07 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -1.617 -6.977 -4.909) 8.683 1.921 ( -5.291 -15.539 -6.658) 17.714 2.162 ( 3.139 -3.836 3.958) 6.343 2.287 ( 0.051 -0.681 3.773) 3.834 2.353 ( -0.497 -8.791 1.538) 8.938 2.716 ( -2.425 -7.972 7.088) 10.939 2.847 ( -4.195 -5.849 -1.568) 7.367 3.087 ( -7.268 1.343 -2.446) 7.785 3.305 ( 2.596 -0.843 -8.163) 8.607 3.468 ( -0.381 -8.580 8.915) 12.380 3.794 ( 4.762 -6.790 -0.918) 8.344 4.310 ( 3.106 -2.495 -0.386) 4.002 4.439 ( 0.359 0.866 -2.491) 2.662 4.805 ( 3.830 -4.194 3.340) 6.589 4.949 ( 0.216 -5.905 -1.319) 6.055 5.129 ( 2.442 -2.822 0.094) 3.732 5.166 ( 3.020 3.772 -0.524) 4.861 5.351 ( -4.015 -1.161 -0.587) 4.221 5.442 ( -2.514 -1.592 0.298) 2.990 5.670 ( -3.769 4.018 1.418) 5.689 5.794 ( -1.928 -3.787 -0.767) 4.318 11.586 ( 3.716 2.649 2.686) 5.295 12.153 ( 1.413 6.653 -3.212) 7.521 12.381 ( -3.132 -18.680 5.775) 19.802 13.912 ( 1.293 8.431 1.099) 8.600 18.007 ( -7.901 0.563 -7.871) 11.167 18.992 ( 2.738 14.298 1.057) 14.596 ======================= Grid point 419 (182/324) ======================= q-point: ( 0.43 0.07 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -0.580 -7.306 -4.470) 8.584 2.087 ( -2.189 -3.613 -2.593) 4.957 2.214 ( -3.927 -6.708 2.415) 8.139 2.367 ( -1.272 -2.516 0.455) 2.856 2.454 ( -3.346 -5.101 4.185) 7.398 2.818 ( -4.200 -1.122 7.309) 8.504 2.976 ( 1.441 -7.141 -3.427) 8.051 3.058 ( -2.356 -4.821 -0.843) 5.432 3.315 ( 0.609 -3.822 -8.553) 9.388 3.548 ( -3.122 1.799 10.280) 10.893 3.935 ( 3.914 -3.521 -2.979) 6.049 4.314 ( 5.977 2.323 -2.707) 6.961 4.415 ( 0.681 1.222 -0.771) 1.597 4.961 ( 3.680 -7.021 3.855) 8.815 5.044 ( 2.463 -4.953 -2.142) 5.932 5.131 ( 3.018 0.797 -1.547) 3.484 5.210 ( 1.867 -4.661 1.652) 5.286 5.345 ( -2.852 -0.554 -1.418) 3.233 5.469 ( -3.907 -2.396 0.773) 4.648 5.585 ( -4.216 2.845 0.721) 5.137 5.814 ( -2.954 0.153 -0.654) 3.030 11.597 ( 2.642 -0.975 1.543) 3.212 12.010 ( 1.780 8.052 -2.174) 8.528 12.714 ( -0.774 -15.516 7.489) 17.246 13.766 ( -1.384 7.949 1.416) 8.192 17.988 ( -3.461 -4.923 -6.280) 8.698 18.734 ( 0.132 14.833 0.037) 14.834 ======================= Grid point 420 (183/324) ======================= q-point: ( 0.50 0.07 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -0.953 -3.518 -5.249) 6.390 2.073 ( 1.423 1.443 1.845) 2.741 2.303 ( -1.893 -0.300 2.818) 3.408 2.434 ( -6.650 -10.961 -0.255) 12.823 2.572 ( -0.926 -5.202 3.707) 6.454 2.810 ( -1.517 0.913 0.187) 1.780 3.020 ( 1.489 -0.253 -1.448) 2.092 3.206 ( 1.245 -7.538 -1.367) 7.762 3.377 ( -2.995 -5.538 -3.426) 7.168 3.531 ( -2.604 1.037 7.813) 8.301 3.899 ( 2.395 6.167 -2.852) 7.205 4.276 ( 5.653 4.585 -3.216) 7.958 4.396 ( 1.150 0.989 -0.623) 1.639 5.073 ( 0.939 -0.403 3.580) 3.723 5.117 ( 0.861 -3.654 -0.216) 3.760 5.207 ( 4.416 -6.279 -2.010) 7.935 5.318 ( 0.120 -2.095 0.072) 2.100 5.331 ( 0.455 -3.168 -0.296) 3.214 5.477 ( -5.836 -0.581 1.275) 6.002 5.541 ( -0.469 0.417 -0.523) 0.817 5.759 ( -2.727 3.074 -0.768) 4.180 11.660 ( 0.933 -4.209 0.168) 4.315 11.865 ( 1.171 8.114 -0.022) 8.198 13.007 ( 1.171 -12.799 5.427) 13.951 13.629 ( -2.067 6.112 1.003) 6.529 18.081 ( -0.509 -8.672 -4.171) 9.637 18.458 ( -1.218 14.621 -0.076) 14.671 ======================= Grid point 421 (184/324) ======================= q-point: (-0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 1.230 4.056 1.893) 4.642 2.088 ( -1.866 -2.652 -4.044) 5.184 2.334 ( 2.713 -1.937 2.681) 4.278 2.610 ( -4.204 -4.685 4.951) 8.009 2.623 ( 2.375 -2.826 -2.009) 4.203 2.802 ( 0.738 -1.821 -5.216) 5.574 3.014 ( 2.712 1.305 0.576) 3.064 3.263 ( -3.116 1.331 -0.958) 3.521 3.416 ( -3.478 -1.439 2.510) 4.524 3.567 ( 0.830 -0.580 3.577) 3.718 3.812 ( 0.866 -0.141 -2.936) 3.065 4.173 ( 2.173 7.143 -1.972) 7.722 4.388 ( 0.666 0.282 -0.338) 0.798 5.076 ( -0.018 0.920 2.196) 2.381 5.136 ( -2.282 2.158 0.440) 3.172 5.280 ( 1.611 0.192 -1.161) 1.995 5.321 ( -0.018 -0.485 0.094) 0.494 5.393 ( -1.972 1.133 -1.566) 2.762 5.511 ( 2.044 -6.443 0.701) 6.796 5.541 ( 0.749 -0.355 -0.871) 1.202 5.704 ( -0.788 0.949 0.597) 1.370 11.719 ( 0.508 6.036 2.043) 6.393 11.764 ( -1.175 -4.802 -1.599) 5.196 13.216 ( 1.823 -6.567 -1.043) 6.895 13.559 ( -0.854 -0.085 1.099) 1.394 18.181 ( -0.911 10.575 0.039) 10.614 18.268 ( 0.867 -8.414 -0.632) 8.482 ======================= Grid point 422 (185/324) ======================= q-point: (-0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 1.342 6.572 4.329) 7.983 2.115 ( -1.439 -3.385 -5.358) 6.499 2.402 ( 3.426 -1.930 0.099) 3.933 2.541 ( 3.107 6.802 2.152) 7.781 2.680 ( 1.996 4.738 1.144) 5.267 2.853 ( 1.160 -5.378 -6.400) 8.439 3.028 ( 4.328 -0.134 1.297) 4.521 3.159 ( -3.359 4.651 -1.636) 5.966 3.358 ( -0.894 6.982 1.656) 7.231 3.628 ( -1.086 -4.157 4.768) 6.418 3.866 ( 0.151 -3.473 -2.443) 4.249 4.049 ( -3.986 4.462 1.074) 6.079 4.384 ( 0.231 0.624 0.273) 0.720 5.042 ( -3.216 4.608 0.671) 5.659 5.070 ( -1.429 1.493 1.626) 2.629 5.198 ( 0.634 6.241 -3.213) 7.048 5.311 ( -1.525 2.314 -1.119) 2.989 5.365 ( 2.025 -0.340 -1.034) 2.299 5.534 ( 0.680 0.648 -0.386) 1.015 5.650 ( 4.733 -4.063 -1.114) 6.336 5.723 ( -0.587 -2.226 3.626) 4.295 11.614 ( -1.073 4.672 1.733) 5.097 11.870 ( -1.017 -7.090 -2.094) 7.463 13.230 ( 2.422 2.309 -10.272) 10.804 13.644 ( -0.373 -7.063 1.894) 7.322 17.972 ( 0.419 11.026 4.551) 11.935 18.482 ( 0.984 -12.394 0.046) 12.433 ======================= Grid point 423 (186/324) ======================= q-point: (-0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 1.170 9.197 5.530) 10.796 2.110 ( -0.873 2.562 -3.375) 4.326 2.386 ( 3.235 6.914 -0.925) 7.690 2.450 ( 3.042 4.963 -2.301) 6.260 2.573 ( 2.442 5.513 -0.385) 6.042 2.843 ( -1.352 3.750 1.508) 4.262 3.029 ( 3.519 3.507 -1.671) 5.241 3.151 ( -0.024 -4.767 -4.490) 6.549 3.222 ( 4.526 8.390 1.564) 9.660 3.686 ( -4.733 0.246 6.440) 7.996 3.811 ( -0.998 6.974 -4.231) 8.218 4.052 ( -6.248 -5.675 6.071) 10.397 4.361 ( -0.407 2.539 1.795) 3.136 4.947 ( -2.854 2.733 -2.821) 4.855 5.025 ( 0.992 3.475 -0.028) 3.614 5.117 ( 0.473 0.900 -2.802) 2.981 5.229 ( -1.734 3.960 -2.686) 5.090 5.385 ( 3.199 -0.075 0.442) 3.231 5.517 ( 1.085 1.608 -0.315) 1.965 5.691 ( 1.656 0.197 0.953) 1.921 5.788 ( 0.857 -1.662 2.953) 3.495 11.564 ( -1.862 0.278 0.096) 1.885 11.992 ( 0.054 -7.637 -2.071) 7.913 13.099 ( 3.790 6.805 -17.515) 19.169 13.774 ( -1.965 -6.504 0.989) 6.866 17.843 ( 3.009 7.327 10.195) 12.910 18.714 ( -0.476 -12.226 0.813) 12.263 ======================= Grid point 424 (187/324) ======================= q-point: (-0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 1.106 11.886 8.404) 14.599 1.947 ( 2.347 15.289 0.974) 15.499 2.186 ( 1.363 12.070 -1.726) 12.269 2.410 ( 0.153 0.469 -6.402) 6.421 2.458 ( -0.046 7.384 -3.206) 8.051 2.831 ( -2.413 -1.946 2.779) 4.163 2.902 ( 0.474 8.390 -4.406) 9.489 3.137 ( 8.179 8.942 5.335) 13.241 3.160 ( -0.078 4.221 0.922) 4.322 3.603 ( -4.475 6.143 0.442) 7.613 3.670 ( -2.535 3.646 -2.096) 4.911 4.176 ( -2.344 -5.350 4.539) 7.397 4.307 ( -0.737 3.345 5.037) 6.091 4.871 ( -1.460 2.564 -4.457) 5.345 5.003 ( 2.711 0.795 -1.930) 3.421 5.088 ( -2.029 1.109 -4.222) 4.814 5.167 ( -0.218 -0.521 -1.706) 1.797 5.409 ( 2.865 -0.678 0.468) 2.981 5.484 ( 0.846 2.092 -0.370) 2.287 5.695 ( -0.974 0.489 3.482) 3.648 5.795 ( 1.471 2.557 0.839) 3.067 11.582 ( -2.355 -3.742 -2.026) 4.863 12.128 ( 1.196 -7.397 -1.525) 7.647 12.850 ( 4.205 13.236 -23.502) 27.299 13.869 ( -3.469 -5.332 0.912) 6.426 17.851 ( 6.746 0.659 17.315) 18.595 18.924 ( -2.639 -10.995 0.937) 11.346 ======================= Grid point 425 (188/324) ======================= q-point: (-0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 1.384 12.703 14.394) 19.248 1.615 ( 4.755 22.449 3.012) 23.144 1.979 ( 0.377 10.072 -3.924) 10.816 2.257 ( -3.382 8.187 -5.499) 10.426 2.389 ( 1.264 2.933 -5.255) 6.150 2.632 ( -3.889 13.240 -7.136) 15.535 2.892 ( -0.844 18.522 11.829) 21.993 2.928 ( -5.956 -1.137 7.651) 9.763 3.130 ( 10.098 0.416 -2.720) 10.467 3.495 ( 0.402 5.977 2.188) 6.377 3.635 ( 0.126 -3.032 -8.194) 8.738 4.128 ( -4.057 7.865 2.692) 9.251 4.379 ( 1.927 -4.975 5.422) 7.607 4.806 ( -0.851 1.835 -3.817) 4.320 4.927 ( -1.885 6.261 0.583) 6.564 5.051 ( 1.488 1.426 -7.248) 7.536 5.217 ( -0.326 -4.538 -0.493) 4.576 5.445 ( 2.236 -1.004 -0.509) 2.503 5.465 ( -0.746 -0.679 -1.103) 1.495 5.655 ( -0.275 5.988 2.344) 6.436 5.772 ( -0.296 -1.747 0.953) 2.012 11.648 ( -2.502 -5.993 -3.415) 7.337 12.240 ( -0.074 -4.154 -2.503) 4.850 12.426 ( 3.671 23.245 -24.906) 34.265 13.957 ( -3.133 -5.999 1.566) 6.947 18.088 ( 11.708 -12.188 23.756) 29.154 19.092 ( -4.600 -9.068 0.756) 10.196 ======================= Grid point 426 (189/324) ======================= q-point: (-0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 5.856 22.464 8.132) 24.597 1.349 ( 0.932 11.483 18.040) 21.404 1.790 ( 3.565 7.604 -9.360) 12.576 2.037 ( -6.629 14.301 4.317) 16.343 2.180 ( 1.231 14.433 -9.617) 17.387 2.443 ( -3.075 3.244 2.612) 5.177 2.635 ( 3.302 10.001 -1.206) 10.601 2.903 ( -4.541 3.777 5.753) 8.245 3.242 ( 5.287 -6.670 0.611) 8.533 3.410 ( 2.626 4.518 2.032) 5.607 3.672 ( 2.910 -3.389 -8.260) 9.390 3.943 ( -6.757 9.748 2.988) 12.231 4.478 ( 2.126 -2.782 0.814) 3.594 4.741 ( 0.481 4.680 -2.192) 5.190 4.809 ( -3.310 4.885 1.813) 6.173 4.968 ( 0.755 4.360 -5.451) 7.021 5.257 ( 3.161 6.639 0.757) 7.393 5.363 ( -3.867 2.968 -4.782) 6.829 5.503 ( -1.313 -4.012 -1.855) 4.611 5.629 ( -0.103 -3.135 1.396) 3.433 5.865 ( -0.161 -7.409 3.150) 8.053 11.702 ( -4.171 10.196 -14.729) 18.393 11.784 ( 0.261 19.973 -9.175) 21.981 12.295 ( 1.266 -0.183 -1.732) 2.153 14.075 ( -0.478 -6.801 2.289) 7.192 18.658 ( 13.782 -30.003 21.502) 39.402 19.214 ( -4.133 -6.586 0.830) 7.820 ======================= Grid point 429 (190/324) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 17.720 -0.000 3.536) 18.070 1.340 ( 4.547 -0.000 16.626) 17.236 1.478 ( -1.697 0.000 -10.900) 11.031 1.688 ( 10.784 -0.000 -16.399) 19.627 2.057 ( 6.448 -0.000 15.265) 16.571 2.390 ( 2.307 -0.000 -7.645) 7.986 2.473 ( 0.368 -0.000 -6.348) 6.359 2.755 ( -7.329 0.000 2.380) 7.706 3.181 ( -15.740 0.000 -1.696) 15.831 3.502 ( -1.691 0.000 -0.276) 1.714 3.576 ( -3.101 0.000 -6.610) 7.301 3.850 ( 7.164 -0.000 7.342) 10.258 4.504 ( 1.656 -0.000 -3.376) 3.760 4.568 ( -0.720 0.000 -0.139) 0.734 4.623 ( -1.124 0.000 0.162) 1.136 4.763 ( 3.076 -0.000 -0.140) 3.079 5.008 ( -2.578 0.000 3.220) 4.125 5.425 ( -2.586 0.000 2.211) 3.402 5.498 ( -1.657 0.000 1.324) 2.121 5.729 ( 1.104 -0.000 -0.260) 1.134 6.279 ( 6.049 -0.000 3.271) 6.877 10.642 ( -0.768 0.000 0.387) 0.860 11.868 ( 3.978 -0.000 1.489) 4.248 12.244 ( -0.113 0.000 0.039) 0.120 14.394 ( 10.480 -0.000 0.385) 10.487 18.884 ( -30.486 0.000 -7.422) 31.377 19.831 ( 5.931 -0.000 -6.289) 8.644 ======================= Grid point 430 (191/324) ======================= q-point: ( 0.21 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 15.936 -3.266 -7.082) 17.742 1.469 ( -0.585 -4.831 -1.417) 5.068 1.586 ( 4.182 -13.024 11.666) 17.978 1.741 ( 8.978 -6.371 -13.884) 17.719 2.183 ( 7.545 -3.032 9.740) 12.688 2.426 ( -2.148 0.736 0.910) 2.446 2.467 ( 5.357 -9.278 -9.594) 14.381 2.752 ( -8.502 -2.871 1.811) 9.154 3.081 ( -13.840 -0.053 -1.496) 13.921 3.502 ( 0.816 0.615 -7.485) 7.555 3.548 ( -4.258 -3.333 -0.709) 5.453 3.923 ( 3.626 -1.448 8.185) 9.068 4.487 ( 1.179 0.807 -2.912) 3.243 4.603 ( -1.545 -4.086 -0.342) 4.382 4.704 ( -0.312 -7.782 1.005) 7.853 4.834 ( 0.631 -3.882 -0.320) 3.946 5.055 ( -0.404 -6.213 1.893) 6.507 5.396 ( -6.027 1.409 2.366) 6.627 5.477 ( 0.479 3.107 2.878) 4.262 5.706 ( 2.446 3.184 -0.709) 4.077 6.208 ( 6.219 11.217 1.829) 12.956 10.895 ( -3.117 -25.194 0.830) 25.400 11.869 ( 4.771 3.276 1.896) 6.091 12.261 ( 0.079 -1.417 0.227) 1.437 14.393 ( 10.494 6.716 0.953) 12.495 18.580 ( -30.653 8.926 -12.379) 34.242 19.720 ( 7.286 11.325 -2.878) 13.770 ======================= Grid point 431 (192/324) ======================= q-point: ( 0.29 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 9.016 -8.678 -11.854) 17.237 1.564 ( -1.189 -6.556 -3.793) 7.668 1.845 ( 8.040 -9.066 -3.172) 12.526 1.964 ( 3.821 -14.014 9.852) 17.551 2.312 ( 4.305 -3.321 -1.208) 5.570 2.406 ( 0.288 -1.355 4.250) 4.470 2.664 ( -10.313 -7.875 -1.534) 13.067 2.844 ( 3.066 -13.503 3.942) 14.396 3.046 ( -8.181 -3.088 -2.895) 9.211 3.421 ( -2.913 2.905 -6.542) 7.728 3.634 ( 3.656 -5.514 -2.207) 6.974 4.034 ( -0.143 -6.077 6.985) 9.259 4.464 ( 0.749 0.710 -3.426) 3.578 4.689 ( -0.915 -5.921 -0.257) 5.996 4.832 ( -1.465 -1.136 4.551) 4.915 4.903 ( 0.439 -7.891 -1.099) 7.979 5.222 ( -0.016 -8.151 -0.055) 8.152 5.343 ( -5.555 1.636 1.467) 5.974 5.430 ( -0.829 2.052 3.042) 3.761 5.647 ( 2.363 3.642 -0.555) 4.376 6.012 ( 4.513 12.431 -0.429) 13.232 11.407 ( -5.478 -28.244 5.841) 29.358 11.829 ( 4.400 3.566 1.213) 5.792 12.280 ( 0.265 -0.074 -0.814) 0.859 14.283 ( 8.527 10.970 1.823) 14.013 18.193 ( -22.103 8.732 -14.942) 28.072 19.517 ( 6.960 13.876 -0.378) 15.528 ======================= Grid point 432 (193/324) ======================= q-point: ( 0.36 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -0.395 -11.527 -11.372) 16.197 1.674 ( 2.160 -8.050 -3.258) 8.949 2.061 ( 5.237 -10.240 -0.237) 11.503 2.227 ( 2.627 -7.367 8.838) 11.802 2.312 ( -0.907 1.058 0.101) 1.397 2.561 ( 0.254 -10.082 4.635) 11.099 2.695 ( -10.243 -5.623 -1.209) 11.747 3.035 ( -8.675 -1.248 -2.838) 9.212 3.208 ( 5.594 -15.581 3.995) 17.030 3.340 ( -1.607 -0.570 -3.315) 3.728 3.737 ( 5.504 -3.581 -2.143) 6.907 4.201 ( 0.007 -8.981 2.723) 9.384 4.438 ( 0.788 0.691 -4.246) 4.374 4.796 ( 1.747 -4.330 1.440) 4.886 4.845 ( -1.235 -1.902 3.501) 4.171 5.053 ( 0.660 -6.741 -0.555) 6.796 5.262 ( 2.917 3.591 0.555) 4.660 5.300 ( -5.600 -0.792 0.948) 5.735 5.433 ( -1.449 0.311 0.101) 1.485 5.645 ( -2.054 -3.872 0.494) 4.411 5.824 ( 1.325 8.920 -1.417) 9.128 11.684 ( 2.617 2.423 3.941) 5.315 11.997 ( -4.463 -22.514 6.846) 23.951 12.245 ( 0.779 3.536 -1.994) 4.133 14.120 ( 5.320 11.597 2.693) 13.041 17.932 ( -12.279 2.260 -13.542) 18.419 19.284 ( 4.357 14.914 -0.171) 15.539 ======================= Grid point 433 (194/324) ======================= q-point: ( 0.43 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -2.184 -10.108 -8.618) 13.462 1.857 ( -0.648 -11.463 -1.413) 11.568 2.202 ( 1.125 -2.007 0.743) 2.418 2.320 ( -0.259 -2.136 2.169) 3.056 2.360 ( -2.463 -4.895 3.150) 6.320 2.766 ( -3.198 -5.746 5.871) 8.816 2.777 ( -3.055 -11.510 -0.501) 11.919 2.986 ( -8.178 -0.646 -0.014) 8.204 3.263 ( 3.418 0.465 -8.485) 9.159 3.559 ( 0.451 -8.020 10.687) 13.369 3.825 ( 4.976 -5.977 -3.918) 8.709 4.332 ( 2.267 -2.846 -1.503) 3.937 4.418 ( 0.823 -0.317 -3.195) 3.315 4.885 ( 4.120 -4.516 4.259) 7.451 4.945 ( 0.846 -6.383 -0.815) 6.490 5.140 ( -0.368 -3.028 0.447) 3.083 5.208 ( 4.350 3.471 -0.168) 5.567 5.304 ( -3.372 -1.425 -0.364) 3.679 5.415 ( -3.190 -0.793 0.668) 3.354 5.641 ( -3.425 4.767 0.747) 5.917 5.757 ( -2.624 -3.041 -1.835) 4.416 11.641 ( 2.584 3.210 0.994) 4.239 12.147 ( 2.087 6.387 -1.617) 6.912 12.420 ( -4.028 -20.135 10.442) 23.036 13.946 ( 1.664 10.876 3.115) 11.435 17.847 ( -5.512 -3.740 -10.332) 12.293 19.017 ( 1.511 15.619 -0.728) 15.709 ======================= Grid point 434 (195/324) ======================= q-point: ( 0.50 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -1.241 -8.341 -7.544) 11.315 2.037 ( -2.829 -8.711 -0.889) 9.202 2.229 ( -1.040 -1.982 4.288) 4.837 2.338 ( -3.230 -0.064 0.403) 3.255 2.454 ( -3.051 -6.619 1.910) 7.534 2.805 ( -5.466 -0.460 1.078) 5.590 2.975 ( 0.975 -6.526 1.587) 6.787 3.049 ( -1.309 -9.417 2.944) 9.953 3.249 ( 1.940 -2.335 -8.888) 9.392 3.623 ( -1.214 3.505 10.744) 11.367 3.942 ( 3.267 -2.728 -4.114) 5.920 4.336 ( 3.953 1.272 -4.008) 5.771 4.419 ( 1.365 0.437 -1.014) 1.755 5.031 ( 2.632 -5.888 2.234) 6.825 5.061 ( 3.551 -5.427 -0.182) 6.488 5.150 ( 2.195 0.370 -0.912) 2.406 5.247 ( 2.296 -4.758 1.747) 5.565 5.304 ( -2.006 -0.505 -1.385) 2.490 5.428 ( -5.537 -1.878 1.786) 6.113 5.552 ( -2.322 2.398 -0.344) 3.356 5.766 ( -3.878 -0.084 -1.647) 4.214 11.624 ( 1.095 -0.302 -0.624) 1.296 12.026 ( 2.873 7.852 0.434) 8.373 12.780 ( -1.788 -15.930 9.520) 18.643 13.770 ( -1.224 9.748 2.335) 10.099 17.899 ( -1.456 -7.868 -6.887) 10.557 18.728 ( -0.440 15.547 -0.937) 15.582 ======================= Grid point 435 (196/324) ======================= q-point: ( 0.57 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -2.110 -4.607 -6.798) 8.479 2.111 ( 1.821 0.330 2.931) 3.466 2.313 ( -1.500 -2.739 0.605) 3.181 2.361 ( -6.084 -9.556 -0.052) 11.329 2.584 ( -1.675 -6.796 3.521) 7.835 2.773 ( -2.773 0.394 -2.473) 3.737 3.047 ( 3.862 -0.061 0.300) 3.874 3.212 ( 0.992 -5.653 -0.160) 5.742 3.326 ( -2.539 -7.736 -0.591) 8.163 3.589 ( -0.451 2.596 7.710) 8.147 3.890 ( 1.756 6.351 -3.693) 7.553 4.293 ( 3.206 4.429 -3.344) 6.410 4.403 ( 1.522 1.282 -1.174) 2.311 5.097 ( 0.126 0.193 0.025) 0.232 5.143 ( 1.723 -2.021 2.866) 3.907 5.232 ( 3.271 -5.325 -1.799) 6.503 5.294 ( -1.071 -1.046 -1.240) 1.944 5.365 ( 1.983 -4.459 1.807) 5.204 5.434 ( -4.305 -1.741 1.907) 5.020 5.528 ( -0.412 -0.443 -1.330) 1.461 5.716 ( -3.339 1.631 -1.478) 3.999 11.659 ( -0.150 -3.687 -1.396) 3.946 11.893 ( 2.113 8.901 2.239) 9.418 13.066 ( 0.241 -11.549 5.844) 12.945 13.610 ( -2.532 6.563 0.048) 7.035 18.045 ( 0.706 -10.553 -3.771) 11.229 18.446 ( -0.924 14.202 -0.028) 14.232 ======================= Grid point 436 (197/324) ======================= q-point: (-0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -2.471 -2.714 -3.856) 5.324 2.095 ( 2.057 3.752 4.042) 5.887 2.354 ( 1.042 -3.192 -2.568) 4.227 2.566 ( -5.106 -14.655 -1.601) 15.602 2.652 ( 0.182 1.807 2.700) 3.254 2.760 ( 0.412 -0.927 -4.101) 4.224 3.056 ( 4.527 0.502 -0.739) 4.615 3.243 ( -1.630 3.635 2.036) 4.473 3.420 ( -2.175 -2.705 5.351) 6.378 3.621 ( 2.336 -0.355 3.980) 4.629 3.782 ( -0.415 0.492 -4.137) 4.187 4.172 ( 1.515 8.178 -2.703) 8.745 4.391 ( 0.649 0.273 -0.571) 0.907 5.087 ( -1.062 0.770 0.444) 1.385 5.124 ( -1.109 4.321 2.174) 4.962 5.284 ( 1.208 1.725 -1.738) 2.731 5.321 ( -0.203 -0.966 0.083) 0.991 5.363 ( -1.120 1.763 -0.583) 2.169 5.528 ( -0.602 -1.363 -0.630) 1.617 5.550 ( 3.092 -7.350 0.075) 7.975 5.698 ( -1.166 -1.400 0.437) 1.874 11.738 ( -1.127 -4.983 -1.195) 5.246 11.747 ( 0.942 7.874 2.275) 8.250 13.217 ( 1.171 -1.948 -2.374) 3.287 13.546 ( -2.226 -2.539 -0.150) 3.381 18.183 ( 0.057 7.104 1.333) 7.228 18.274 ( 1.163 -7.467 -0.364) 7.566 ======================= Grid point 437 (198/324) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -0.227 3.491 3.577) 5.003 2.067 ( -0.171 -0.551 -1.736) 1.830 2.399 ( 0.545 -1.916 -3.999) 4.468 2.588 ( 1.563 5.509 2.247) 6.151 2.704 ( 1.962 5.433 -2.119) 6.153 2.801 ( -2.058 -12.216 -4.264) 13.102 3.062 ( 2.406 3.331 -1.775) 4.476 3.119 ( -1.372 5.491 0.798) 5.716 3.411 ( 3.243 6.434 5.130) 8.845 3.660 ( -1.094 -2.739 4.739) 5.581 3.843 ( -1.018 -4.984 -1.550) 5.318 4.018 ( -1.415 6.149 -0.821) 6.363 4.389 ( 0.365 0.314 0.204) 0.523 5.005 ( -4.033 5.726 0.870) 7.058 5.086 ( 0.319 1.532 2.086) 2.608 5.175 ( 1.434 6.530 -4.105) 7.846 5.275 ( -1.795 3.045 -1.888) 4.008 5.390 ( 2.486 -1.394 0.245) 2.861 5.530 ( -0.129 -0.096 -0.932) 0.946 5.690 ( 3.701 -3.144 -0.331) 4.868 5.740 ( -1.863 -3.867 3.042) 5.261 11.615 ( -1.214 5.943 1.206) 6.185 11.850 ( 0.209 -7.055 -1.273) 7.172 13.145 ( 0.824 4.987 -12.134) 13.145 13.649 ( -1.163 -7.195 1.448) 7.431 18.033 ( 1.554 8.197 6.012) 10.283 18.491 ( 0.520 -12.327 0.008) 12.338 ======================= Grid point 438 (199/324) ======================= q-point: (-0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 1.813 8.560 7.086) 11.260 2.068 ( -2.506 0.678 -1.071) 2.808 2.370 ( -0.493 2.256 -5.503) 5.968 2.476 ( 3.795 10.749 0.012) 11.399 2.579 ( 0.608 6.646 -2.968) 7.304 2.860 ( 0.242 5.212 3.399) 6.227 2.973 ( -4.551 0.289 -8.023) 9.228 3.124 ( 1.889 -3.945 -0.332) 4.386 3.328 ( 7.248 6.685 2.584) 10.193 3.678 ( -7.659 2.630 5.800) 9.960 3.787 ( 2.575 8.740 -2.522) 9.454 4.051 ( -2.902 -8.094 5.301) 10.101 4.378 ( 0.163 1.845 2.047) 2.761 4.895 ( -2.018 3.661 -2.673) 4.962 5.033 ( 2.088 3.764 -2.041) 4.764 5.107 ( 1.156 1.151 -1.206) 2.028 5.187 ( -1.736 3.871 -2.284) 4.819 5.418 ( 2.087 -0.203 0.171) 2.103 5.520 ( 0.267 1.072 -0.607) 1.261 5.709 ( -0.453 0.443 1.513) 1.640 5.818 ( 0.197 -1.918 2.353) 3.042 11.538 ( -1.910 1.396 -0.933) 2.543 11.988 ( 1.447 -7.898 -0.901) 8.080 12.958 ( 0.722 8.445 -18.180) 20.059 13.769 ( -1.152 -5.575 1.653) 5.928 17.976 ( 3.325 3.236 10.395) 11.384 18.711 ( -0.953 -11.527 0.413) 11.573 ======================= Grid point 439 (200/324) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 2.535 10.371 10.555) 15.013 1.958 ( -2.183 10.727 1.660) 11.072 2.213 ( 4.632 14.720 -0.372) 15.436 2.344 ( -1.626 3.328 -5.985) 7.038 2.400 ( -1.614 6.686 -7.424) 10.121 2.784 ( -3.926 7.227 -3.581) 8.970 2.896 ( -0.563 -0.212 2.479) 2.551 3.176 ( 0.129 2.379 1.533) 2.833 3.266 ( 7.705 7.942 3.493) 11.604 3.531 ( -3.897 5.145 -4.439) 7.834 3.655 ( -2.928 5.956 4.204) 7.856 4.198 ( 0.097 -2.969 3.162) 4.339 4.356 ( 0.364 0.542 5.793) 5.830 4.812 ( -0.781 2.466 -5.595) 6.164 5.018 ( 3.973 -1.194 -3.873) 5.675 5.036 ( -2.064 5.695 -1.161) 6.167 5.154 ( 0.169 -1.576 -1.119) 1.940 5.431 ( 0.856 -0.600 -0.154) 1.057 5.486 ( 0.026 2.245 -0.343) 2.271 5.710 ( -1.821 -0.241 3.058) 3.568 5.812 ( 0.308 3.480 0.815) 3.587 11.536 ( -1.793 -2.982 -2.509) 4.289 12.134 ( 1.721 -6.936 -0.697) 7.180 12.667 ( 0.128 14.294 -20.565) 25.045 13.862 ( -0.636 -4.653 1.815) 5.035 18.062 ( 4.400 -4.870 14.040) 15.498 18.903 ( -1.911 -10.043 0.512) 10.236 ======================= Grid point 440 (201/324) ======================= q-point: (-0.07 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 2.308 10.445 16.094) 19.325 1.678 ( 1.850 19.091 2.103) 19.295 1.968 ( 3.878 13.448 -3.441) 14.412 2.148 ( -3.547 6.943 -10.532) 13.104 2.364 ( 1.007 0.914 -2.592) 2.927 2.532 ( -4.099 13.226 -4.384) 14.524 2.932 ( -5.595 0.535 6.546) 8.628 2.964 ( -2.538 18.426 8.746) 20.553 3.209 ( 8.030 0.748 -3.434) 8.766 3.507 ( 0.904 -0.203 -2.713) 2.866 3.575 ( -0.370 0.427 -1.816) 1.902 4.123 ( -2.052 9.373 3.438) 10.192 4.440 ( 1.762 -3.578 3.273) 5.159 4.764 ( -0.451 -0.019 -3.422) 3.452 4.902 ( -3.215 6.572 0.214) 7.319 5.020 ( 3.151 2.324 -4.907) 6.278 5.214 ( 0.426 -4.951 -0.425) 4.988 5.433 ( -2.174 1.057 -0.793) 2.544 5.463 ( 0.616 -0.175 -0.458) 0.788 5.666 ( -1.044 6.649 1.593) 6.916 5.783 ( 0.682 -2.920 1.063) 3.181 11.595 ( -1.252 -5.234 -3.165) 6.243 12.160 ( -3.875 13.591 -9.252) 16.891 12.309 ( 3.359 6.429 -9.082) 11.623 13.967 ( 1.479 -6.140 1.649) 6.527 18.344 ( 1.911 -17.139 13.711) 22.031 19.068 ( -0.136 -8.621 1.211) 8.706 ======================= Grid point 444 (202/324) ======================= q-point: ( 0.21 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 14.542 -0.000 -18.357) 23.419 1.447 ( 4.029 -0.000 8.855) 9.728 1.539 ( 6.259 -0.000 13.939) 15.280 1.674 ( 13.234 -0.000 -15.329) 20.251 2.239 ( 5.233 -0.000 10.221) 11.483 2.353 ( 10.964 -0.000 -16.177) 19.542 2.427 ( -2.002 0.000 -0.698) 2.120 2.680 ( -9.524 0.000 1.296) 9.612 2.991 ( -17.424 0.000 0.688) 17.437 3.477 ( -4.150 0.000 -6.693) 7.876 3.478 ( -2.385 0.000 0.059) 2.386 3.970 ( 2.697 -0.000 6.916) 7.424 4.494 ( 1.429 -0.000 -3.011) 3.333 4.550 ( -2.032 0.000 -0.360) 2.064 4.625 ( 0.720 -0.000 0.384) 0.816 4.793 ( 2.757 -0.000 -0.269) 2.770 5.013 ( -1.761 0.000 2.696) 3.220 5.385 ( -7.697 0.000 3.903) 8.630 5.526 ( 0.010 -0.000 4.017) 4.017 5.752 ( 4.590 -0.000 -1.432) 4.809 6.374 ( 5.687 -0.000 3.297) 6.574 10.627 ( -1.003 0.000 -1.596) 1.885 11.939 ( 5.225 -0.000 2.224) 5.679 12.250 ( -0.065 0.000 1.248) 1.249 14.530 ( 11.890 -0.000 3.287) 12.336 18.419 ( -33.190 0.000 -16.990) 37.286 19.840 ( 5.078 -0.000 -4.930) 7.078 ======================= Grid point 445 (203/324) ======================= q-point: ( 0.29 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 10.752 -2.799 -16.383) 19.795 1.513 ( 8.269 -0.022 2.327) 8.590 1.733 ( 10.100 -5.358 -9.429) 14.820 1.764 ( 6.070 -13.018 11.551) 18.432 2.318 ( 6.576 -0.182 1.002) 6.655 2.399 ( -1.061 -2.510 -2.094) 3.437 2.452 ( 2.923 -6.983 -4.364) 8.738 2.682 ( -4.778 -5.912 0.643) 7.628 2.929 ( -13.716 -2.513 1.777) 14.057 3.410 ( -4.341 1.388 -6.643) 8.056 3.520 ( -1.323 -5.548 -0.584) 5.733 4.012 ( 0.202 -0.823 6.735) 6.788 4.470 ( 1.042 1.174 -3.676) 3.997 4.583 ( -1.851 -4.438 -0.085) 4.809 4.712 ( 0.277 -7.884 0.820) 7.931 4.843 ( 0.852 -2.588 0.526) 2.774 5.066 ( -0.601 -6.288 1.172) 6.425 5.348 ( -7.305 1.626 4.269) 8.616 5.510 ( -1.749 3.296 4.884) 6.146 5.738 ( 5.390 3.620 -1.879) 6.759 6.286 ( 5.119 12.583 1.412) 13.658 10.871 ( -3.443 -25.349 1.322) 25.616 11.941 ( 4.922 3.625 1.593) 6.317 12.268 ( -0.080 -1.013 1.184) 1.560 14.536 ( 10.802 8.212 5.429) 14.615 18.109 ( -26.693 4.991 -20.462) 34.002 19.758 ( 5.321 8.852 -3.711) 10.975 ======================= Grid point 446 (204/324) ======================= q-point: ( 0.36 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 6.449 -6.369 -12.192) 15.192 1.577 ( 9.367 -2.926 -4.120) 10.643 1.892 ( 6.167 -9.799 -2.741) 11.898 2.111 ( 5.020 -13.501 10.333) 17.727 2.319 ( 1.182 0.764 -1.891) 2.357 2.432 ( -6.341 -3.905 -0.373) 7.456 2.539 ( -4.412 -5.397 0.543) 6.992 2.905 ( -0.895 -10.050 -5.052) 11.284 2.963 ( -2.202 -10.830 7.731) 13.487 3.327 ( -3.995 1.679 -5.461) 6.971 3.647 ( 3.330 -7.722 -3.104) 8.964 4.081 ( -2.127 -4.631 5.695) 7.642 4.436 ( 0.981 0.932 -4.816) 5.003 4.679 ( -0.974 -6.636 0.216) 6.711 4.862 ( -0.657 -1.927 4.725) 5.145 4.898 ( -0.070 -7.942 -0.595) 7.965 5.224 ( 0.286 -8.783 -0.441) 8.799 5.293 ( -6.322 1.744 2.919) 7.179 5.448 ( -2.198 3.714 4.276) 6.075 5.669 ( 3.273 5.035 -1.513) 6.192 6.050 ( 3.635 14.339 -1.165) 14.839 11.404 ( -6.652 -30.410 7.411) 31.999 11.885 ( 3.957 4.767 0.541) 6.219 12.280 ( 0.181 0.528 0.500) 0.749 14.410 ( 8.088 13.309 5.971) 16.679 17.828 ( -15.124 2.399 -19.159) 24.527 19.564 ( 4.401 13.211 -2.707) 14.185 ======================= Grid point 447 (205/324) ======================= q-point: ( 0.43 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 1.919 -8.556 -8.248) 12.038 1.695 ( 6.874 -6.895 -3.362) 10.301 2.097 ( 2.836 -9.240 -1.287) 9.751 2.291 ( -2.863 -3.020 1.866) 4.561 2.311 ( -0.823 -0.265 1.852) 2.044 2.543 ( -4.680 -10.999 -0.453) 11.962 2.652 ( -0.605 -7.274 4.541) 8.596 2.920 ( -9.363 -1.959 0.681) 9.590 3.260 ( 1.905 0.384 -5.294) 5.640 3.340 ( 2.131 -17.811 5.928) 18.892 3.768 ( 5.067 -3.905 -3.418) 7.253 4.214 ( -1.833 -8.450 2.042) 8.885 4.406 ( 1.394 0.423 -5.123) 5.326 4.809 ( 0.170 -7.520 0.183) 7.524 4.888 ( 1.067 -0.556 4.860) 5.006 5.049 ( -0.837 -6.918 0.115) 6.969 5.252 ( -4.692 0.291 1.409) 4.907 5.304 ( 2.996 1.342 1.027) 3.440 5.419 ( -1.633 0.718 0.711) 1.920 5.620 ( -2.520 -1.375 -0.656) 2.945 5.821 ( 1.048 10.690 -2.044) 10.934 11.723 ( -0.001 1.910 0.753) 2.053 12.022 ( -4.335 -23.207 9.100) 25.301 12.249 ( 1.310 3.385 0.722) 3.701 14.215 ( 4.753 14.193 5.611) 15.985 17.699 ( -6.168 -2.779 -14.515) 16.014 19.307 ( 2.220 15.376 -2.533) 15.741 ======================= Grid point 448 (206/324) ======================= q-point: ( 0.50 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -0.882 -9.527 -6.146) 11.372 1.858 ( 3.010 -8.608 -1.490) 9.240 2.202 ( -1.238 -3.137 -1.229) 3.589 2.310 ( -3.797 -2.130 -2.796) 5.174 2.351 ( -2.511 -2.936 4.716) 6.097 2.690 ( -4.416 -8.294 -3.079) 9.888 2.835 ( 0.904 -9.234 5.446) 10.758 2.934 ( -6.709 -3.526 7.138) 10.412 3.224 ( 3.142 1.002 -7.996) 8.649 3.664 ( 0.805 -8.265 10.570) 13.442 3.832 ( 4.553 -4.740 -5.826) 8.783 4.327 ( 0.854 -3.015 -3.360) 4.595 4.402 ( 0.898 -1.505 -2.291) 2.884 4.946 ( 1.382 -6.339 0.356) 6.498 4.969 ( 3.713 -5.321 2.399) 6.918 5.136 ( -1.516 -3.241 1.222) 3.781 5.231 ( -0.394 0.676 -0.131) 0.793 5.295 ( 2.353 0.906 0.555) 2.582 5.386 ( -3.539 0.328 1.140) 3.733 5.610 ( -2.688 4.277 -0.243) 5.057 5.706 ( -2.864 -1.563 -2.549) 4.140 11.651 ( 0.120 3.324 -2.084) 3.925 12.175 ( 3.463 5.810 1.152) 6.861 12.474 ( -4.668 -21.086 11.731) 24.577 14.000 ( 1.341 13.552 4.640) 14.387 17.717 ( -1.278 -6.968 -9.697) 12.009 19.011 ( 0.145 16.095 -2.450) 16.281 ======================= Grid point 449 (207/324) ======================= q-point: ( 0.57 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -1.516 -8.257 -5.811) 10.210 2.012 ( -0.628 -8.213 -0.952) 8.292 2.242 ( -1.254 -2.668 0.689) 3.028 2.292 ( -3.984 -0.147 -3.236) 5.134 2.452 ( -1.849 -7.127 5.810) 9.379 2.738 ( -5.728 -1.465 -1.391) 6.073 3.020 ( 2.985 -6.982 3.160) 8.225 3.076 ( -2.280 -9.681 6.557) 11.913 3.196 ( 2.979 -1.351 -8.487) 9.096 3.705 ( -0.308 4.685 8.601) 9.799 3.934 ( 2.086 -2.329 -3.753) 4.885 4.333 ( 2.558 0.540 -4.398) 5.116 4.421 ( 0.923 -0.218 -1.551) 1.818 5.053 ( 1.227 -4.348 -0.524) 4.547 5.114 ( 3.801 -6.010 0.939) 7.173 5.156 ( -0.553 -1.177 0.346) 1.345 5.287 ( 0.963 1.025 -0.606) 1.531 5.289 ( 2.027 -5.547 2.114) 6.273 5.389 ( -5.001 -1.627 2.673) 5.900 5.527 ( -0.670 2.050 -1.502) 2.629 5.703 ( -4.269 -0.177 -2.254) 4.831 11.610 ( -0.712 -0.411 -2.516) 2.647 12.078 ( 3.737 7.944 2.619) 9.162 12.844 ( -2.358 -16.062 9.733) 18.928 13.778 ( -1.302 12.242 2.147) 12.497 17.839 ( 1.009 -9.947 -5.693) 11.506 18.708 ( -0.834 15.335 -1.761) 15.458 ======================= Grid point 450 (208/324) ======================= q-point: ( 0.64 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -1.666 -4.430 -4.617) 6.612 2.159 ( 1.525 -5.460 2.529) 6.208 2.257 ( -3.441 -2.725 -5.273) 6.861 2.311 ( -3.672 -5.941 0.704) 7.019 2.618 ( -0.214 -6.917 5.948) 9.125 2.715 ( -2.947 -0.714 -2.932) 4.218 3.094 ( 5.277 1.376 -2.100) 5.844 3.223 ( 1.105 -6.157 0.894) 6.319 3.316 ( -2.562 -9.402 4.259) 10.635 3.646 ( 0.500 3.480 3.995) 5.322 3.876 ( 1.004 6.718 -2.381) 7.198 4.287 ( 1.226 4.276 -3.282) 5.528 4.405 ( 1.077 1.232 -1.641) 2.318 5.087 ( -1.204 -0.335 -0.514) 1.352 5.187 ( 0.735 0.285 2.978) 3.081 5.250 ( 2.740 -5.006 -1.079) 5.808 5.279 ( 0.448 -1.648 -1.458) 2.246 5.389 ( -1.525 -0.718 2.357) 2.897 5.433 ( 0.962 -5.295 2.328) 5.863 5.509 ( -0.149 -0.434 -2.141) 2.190 5.664 ( -3.314 -0.291 -1.856) 3.810 11.637 ( -0.965 -3.975 -1.840) 4.486 11.944 ( 2.370 9.939 3.133) 10.688 13.121 ( -0.012 -10.236 6.261) 11.999 13.572 ( -2.895 8.092 -1.903) 8.802 18.030 ( 1.632 -11.727 -2.607) 12.124 18.438 ( -0.471 12.986 -0.159) 12.995 ======================= Grid point 451 (209/324) ======================= q-point: (-0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -1.997 -3.853 -2.513) 5.014 2.156 ( 1.339 4.644 3.471) 5.950 2.331 ( 0.927 -4.378 -2.933) 5.350 2.482 ( -6.380 -15.127 -2.254) 16.571 2.662 ( -0.619 1.618 0.322) 1.762 2.745 ( 1.174 -1.044 -1.762) 2.360 3.091 ( 4.524 -0.135 -2.695) 5.267 3.262 ( -0.521 5.328 4.486) 6.985 3.464 ( -0.390 -4.868 7.142) 8.651 3.673 ( 1.504 -3.937 0.671) 4.267 3.737 ( -0.584 4.762 -2.512) 5.415 4.158 ( 0.878 8.107 -3.109) 8.727 4.391 ( 0.558 0.108 -0.821) 0.998 5.067 ( -2.697 1.830 0.750) 3.344 5.146 ( 0.654 3.931 2.187) 4.546 5.274 ( 0.547 2.834 -2.144) 3.596 5.314 ( -0.752 3.010 -0.270) 3.114 5.365 ( 1.437 -1.775 0.119) 2.287 5.507 ( -1.016 -1.313 -1.419) 2.184 5.588 ( 2.607 -8.227 1.053) 8.694 5.685 ( -1.692 -2.810 0.067) 3.281 11.719 ( -1.068 -5.289 -0.507) 5.420 11.778 ( 1.128 9.324 1.902) 9.582 13.200 ( 0.784 4.120 -3.368) 5.379 13.515 ( -2.686 -5.658 -0.304) 6.271 18.204 ( 0.628 3.402 2.087) 4.040 18.284 ( 1.068 -6.171 -0.476) 6.281 ======================= Grid point 452 (210/324) ======================= q-point: (-0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -2.061 -2.806 0.844) 3.583 2.089 ( 2.068 4.579 2.233) 5.498 2.364 ( -0.791 0.090 -2.452) 2.578 2.609 ( -2.025 2.023 1.627) 3.292 2.675 ( 0.758 3.118 -5.894) 6.711 2.737 ( -3.272 -10.495 -2.484) 11.270 3.082 ( 2.389 9.948 1.369) 10.322 3.126 ( 1.086 2.435 -0.783) 2.779 3.490 ( 3.068 5.657 3.383) 7.270 3.680 ( -3.068 -0.212 3.864) 4.939 3.819 ( -1.932 -7.950 0.481) 8.196 4.016 ( 3.841 5.682 -1.995) 7.143 4.394 ( 0.402 -0.238 -0.047) 0.470 4.977 ( -3.384 6.230 2.094) 7.393 5.108 ( 0.645 2.128 1.486) 2.675 5.157 ( 2.509 6.123 -4.429) 7.963 5.245 ( -0.986 3.689 -1.323) 4.041 5.415 ( 1.701 -1.428 -0.037) 2.221 5.517 ( -0.472 -0.714 -0.995) 1.312 5.711 ( -1.166 -0.726 0.677) 1.531 5.748 ( 0.233 -6.548 1.870) 6.814 11.612 ( -0.955 7.384 0.902) 7.500 11.849 ( 1.142 -7.518 -0.713) 7.637 13.038 ( -0.210 8.285 -11.294) 14.008 13.650 ( -1.275 -7.757 1.643) 8.031 18.103 ( 1.475 5.542 5.165) 7.718 18.494 ( 0.011 -12.049 0.001) 12.049 ======================= Grid point 453 (211/324) ======================= q-point: (-0.14 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 0.703 5.208 5.543) 7.638 2.052 ( -0.822 2.097 2.824) 3.612 2.306 ( -1.889 2.176 -4.534) 5.372 2.491 ( 1.074 9.858 -5.871) 11.523 2.550 ( -1.696 9.059 0.773) 9.249 2.849 ( -5.862 -0.367 -4.237) 7.242 2.904 ( 2.065 4.403 2.225) 5.348 3.141 ( 1.462 -2.572 -0.757) 3.054 3.403 ( 4.847 5.598 -0.840) 7.453 3.627 ( -9.396 4.523 3.826) 11.108 3.815 ( 3.900 8.336 0.358) 9.210 4.092 ( 2.449 -8.721 4.268) 10.013 4.398 ( 0.348 0.517 1.754) 1.862 4.860 ( -0.589 5.237 -1.663) 5.526 5.034 ( 3.076 3.667 -3.702) 6.051 5.119 ( 1.514 1.286 0.316) 2.011 5.152 ( -1.342 3.973 -1.626) 4.497 5.431 ( 0.445 0.052 -0.411) 0.608 5.514 ( -0.247 0.759 -0.523) 0.955 5.705 ( -3.030 0.061 1.693) 3.472 5.837 ( -0.114 -1.719 1.757) 2.460 11.515 ( -0.712 2.503 -0.608) 2.673 12.002 ( 2.134 -8.225 -0.559) 8.516 12.806 ( -0.908 10.672 -14.117) 17.720 13.775 ( -0.732 -5.728 1.647) 6.005 18.083 ( 1.243 0.307 6.894) 7.012 18.706 ( -0.589 -11.108 0.552) 11.138 ======================= Grid point 454 (212/324) ======================= q-point: (-0.07 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 2.726 7.357 6.459) 10.162 1.950 ( -3.118 10.459 6.296) 12.600 2.220 ( -2.465 7.765 -8.453) 11.740 2.286 ( 0.217 16.915 0.213) 16.917 2.324 ( 1.168 0.526 -5.970) 6.106 2.720 ( -3.428 9.052 -0.909) 9.722 2.907 ( -1.883 -1.148 2.234) 3.139 3.183 ( -0.801 0.827 0.701) 1.348 3.352 ( 4.940 4.492 -0.014) 6.677 3.451 ( -4.239 7.564 -3.331) 9.288 3.682 ( 0.032 7.054 5.140) 8.728 4.234 ( 2.168 -0.529 1.876) 2.915 4.412 ( 0.705 -1.405 4.705) 4.961 4.762 ( 0.536 3.131 -4.539) 5.540 4.990 ( -0.250 3.749 -3.276) 4.985 5.051 ( 3.481 2.226 -0.498) 4.161 5.150 ( 0.588 -2.052 -0.768) 2.269 5.425 ( -1.296 -0.020 -0.471) 1.379 5.479 ( -0.847 2.104 -0.251) 2.282 5.710 ( -2.800 -1.354 2.489) 3.984 5.817 ( -0.465 4.024 0.647) 4.102 11.510 ( 0.291 -2.289 -0.947) 2.495 12.149 ( 1.771 -6.041 -0.344) 6.305 12.501 ( -1.785 14.986 -13.282) 20.104 13.878 ( 0.655 -5.279 1.191) 5.451 18.172 ( -1.690 -6.925 6.154) 9.417 18.904 ( 0.848 -10.279 1.467) 10.418 ======================= Grid point 459 (213/324) ======================= q-point: ( 0.29 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 10.355 -0.000 -16.113) 19.153 1.605 ( 9.014 -0.000 6.003) 10.830 1.678 ( 10.338 -0.000 -7.462) 12.750 1.739 ( 10.636 -0.000 5.243) 11.858 2.314 ( 6.327 -0.000 -7.190) 9.577 2.354 ( 7.175 -0.000 -7.155) 10.133 2.442 ( 4.324 -0.000 2.070) 4.795 2.577 ( -10.909 0.000 0.606) 10.926 2.842 ( -14.064 0.000 5.708) 15.178 3.368 ( -4.868 0.000 -6.196) 7.879 3.452 ( -2.727 0.000 0.285) 2.742 4.033 ( -1.745 0.000 5.832) 6.087 4.475 ( 1.123 -0.000 -4.366) 4.508 4.523 ( -2.004 0.000 -0.502) 2.066 4.640 ( 1.119 -0.000 0.470) 1.214 4.818 ( 2.259 -0.000 -0.358) 2.288 5.011 ( -2.445 0.000 1.555) 2.898 5.352 ( -6.418 0.000 6.108) 8.860 5.550 ( -4.034 0.000 6.099) 7.312 5.798 ( 7.004 -0.000 -2.909) 7.584 6.454 ( 3.469 -0.000 3.066) 4.630 10.595 ( -0.825 0.000 -2.905) 3.019 12.007 ( 4.341 -0.000 0.894) 4.432 12.263 ( -0.230 0.000 1.918) 1.932 14.711 ( 10.151 -0.000 9.503) 13.904 17.910 ( -23.705 0.000 -24.001) 33.734 19.845 ( 4.000 -0.000 -5.138) 6.512 ======================= Grid point 460 (214/324) ======================= q-point: ( 0.36 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 9.901 -3.046 -13.706) 17.181 1.637 ( 14.489 2.670 -3.606) 15.168 1.764 ( 6.788 -6.096 -3.535) 9.784 1.936 ( 8.179 -11.820 8.556) 16.728 2.312 ( -9.089 -1.089 -4.983) 10.422 2.336 ( 1.673 1.237 -3.581) 4.142 2.494 ( 4.862 -1.608 2.179) 5.566 2.665 ( 1.358 -12.710 -3.189) 13.174 2.843 ( -8.214 -3.890 7.175) 11.579 3.304 ( -4.694 1.089 -5.045) 6.976 3.502 ( -0.530 -6.540 -1.076) 6.649 4.047 ( -3.771 -0.796 5.130) 6.416 4.441 ( 1.280 1.402 -5.600) 5.913 4.562 ( -1.738 -5.004 -0.188) 5.300 4.723 ( 0.421 -7.490 0.626) 7.528 4.861 ( 0.745 -2.376 1.238) 2.781 5.056 ( -1.970 -6.423 -0.285) 6.724 5.327 ( -5.230 2.316 6.408) 8.589 5.525 ( -4.784 3.039 6.358) 8.517 5.780 ( 6.191 4.329 -3.199) 8.203 6.340 ( 3.025 13.648 0.708) 13.997 10.843 ( -3.481 -26.139 0.850) 26.384 11.994 ( 3.355 3.818 -0.166) 5.085 12.280 ( -0.226 -0.768 1.873) 2.037 14.713 ( 7.327 9.811 10.330) 16.020 17.683 ( -13.367 0.905 -22.829) 26.470 19.766 ( 3.297 7.831 -5.102) 9.911 ======================= Grid point 461 (215/324) ======================= q-point: ( 0.43 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 7.477 -5.492 -8.977) 12.910 1.669 ( 14.916 -0.122 -5.318) 15.836 1.929 ( 3.639 -9.419 -1.204) 10.169 2.198 ( -7.615 -4.409 0.749) 8.831 2.309 ( -0.358 -0.175 -2.284) 2.319 2.321 ( -0.984 -11.583 2.630) 11.919 2.569 ( 1.504 -3.488 2.922) 4.792 2.814 ( -6.827 -5.038 0.271) 8.489 3.051 ( 3.033 -16.273 4.372) 17.121 3.249 ( -1.984 0.380 -3.291) 3.861 3.655 ( 4.126 -9.078 -3.657) 10.621 4.084 ( -5.589 -4.323 3.807) 8.027 4.400 ( 1.638 0.819 -6.215) 6.479 4.671 ( -0.682 -7.333 -0.012) 7.364 4.889 ( -0.794 -8.990 -0.023) 9.025 4.900 ( -0.465 -1.386 4.261) 4.505 5.207 ( -0.930 -9.727 -2.097) 9.993 5.279 ( -3.650 2.576 5.710) 7.251 5.461 ( -3.263 3.862 5.138) 7.209 5.685 ( 2.984 6.826 -2.554) 7.875 6.068 ( 2.341 15.691 -1.892) 15.977 11.391 ( -6.887 -31.425 5.953) 32.717 11.918 ( 2.166 4.680 -0.514) 5.182 12.295 ( 0.548 0.411 1.977) 2.092 14.549 ( 4.633 15.190 8.171) 17.860 17.554 ( -3.677 -1.956 -17.255) 17.750 19.564 ( 1.947 12.829 -4.807) 13.837 ======================= Grid point 462 (216/324) ======================= q-point: ( 0.50 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 4.238 -6.463 -4.462) 8.924 1.759 ( 10.587 -4.239 -3.466) 11.919 2.089 ( -1.473 -6.855 -3.450) 7.815 2.188 ( -10.127 -4.303 -4.894) 12.043 2.321 ( -1.292 -2.585 2.391) 3.751 2.532 ( 0.168 -6.233 1.709) 6.465 2.692 ( 1.370 -8.519 2.350) 8.942 2.872 ( -6.320 -3.938 7.901) 10.857 3.215 ( -0.890 -0.458 -4.276) 4.391 3.426 ( 4.174 -17.989 3.475) 18.791 3.791 ( 4.825 -3.780 -2.982) 6.816 4.189 ( -5.071 -8.554 0.113) 9.945 4.378 ( 2.050 -0.363 -5.034) 5.447 4.814 ( 0.792 -8.089 -0.232) 8.131 4.934 ( -0.024 -2.038 2.920) 3.560 5.045 ( -0.934 -6.852 1.676) 7.116 5.232 ( -2.430 1.270 3.184) 4.201 5.342 ( 2.840 -1.530 0.111) 3.228 5.412 ( -1.766 1.923 1.980) 3.276 5.579 ( -2.829 1.436 -1.790) 3.643 5.810 ( 0.764 11.778 -2.502) 12.065 11.698 ( -2.471 0.777 -2.690) 3.734 12.067 ( -3.194 -23.217 9.872) 25.431 12.284 ( 1.931 2.680 2.691) 4.261 14.310 ( 2.301 16.004 6.071) 17.271 17.552 ( 1.114 -5.371 -11.508) 12.749 19.288 ( 0.194 15.365 -4.390) 15.981 ======================= Grid point 463 (217/324) ======================= q-point: ( 0.57 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 1.098 -7.158 -2.493) 7.659 1.890 ( 5.769 -5.745 -2.151) 8.420 2.136 ( -5.078 -4.529 -6.599) 9.479 2.214 ( -4.757 -4.872 -4.736) 8.295 2.391 ( -1.506 -2.960 7.596) 8.290 2.633 ( -2.810 -5.685 -0.388) 6.353 2.879 ( 2.396 -9.738 0.402) 10.036 2.963 ( -5.437 -4.802 12.005) 14.026 3.190 ( 3.213 0.933 -6.513) 7.322 3.758 ( 0.878 -11.687 6.804) 13.552 3.823 ( 3.139 -0.358 -4.080) 5.160 4.289 ( -0.852 -4.626 -5.145) 6.971 4.393 ( 0.360 -1.727 -1.479) 2.302 4.963 ( 2.009 -6.854 -0.267) 7.148 5.011 ( 0.714 -5.427 0.413) 5.490 5.143 ( -0.160 -2.392 3.189) 3.989 5.224 ( -0.520 -1.258 0.425) 1.426 5.338 ( 3.110 2.492 0.837) 4.072 5.363 ( -3.005 1.046 2.022) 3.770 5.577 ( -1.783 1.449 -1.605) 2.803 5.654 ( -2.230 1.503 -2.462) 3.645 11.614 ( -1.528 2.911 -3.651) 4.913 12.235 ( 3.865 5.393 2.634) 7.139 12.532 ( -3.645 -21.611 11.251) 24.636 14.049 ( 0.070 15.644 4.107) 16.174 17.648 ( 2.551 -8.440 -7.247) 11.413 18.978 ( -0.943 15.803 -3.534) 16.221 ======================= Grid point 464 (218/324) ======================= q-point: ( 0.64 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.236 -7.061 -1.901) 7.316 1.994 ( 0.305 -6.102 -3.763) 7.176 2.178 ( -4.101 -5.275 -5.165) 8.446 2.254 ( -0.101 -2.294 -0.585) 2.370 2.509 ( 0.181 -6.833 7.292) 9.995 2.674 ( -5.047 -1.240 1.113) 5.315 3.077 ( 1.663 -9.918 -0.559) 10.072 3.103 ( -1.012 -6.134 5.097) 8.039 3.172 ( 3.429 -1.734 -2.986) 4.866 3.761 ( 0.497 5.430 2.994) 6.221 3.926 ( -0.003 -2.087 -0.116) 2.090 4.312 ( 1.238 -0.312 -4.834) 5.000 4.410 ( -0.147 -0.582 -1.595) 1.704 5.051 ( -0.677 -2.614 -0.517) 2.749 5.140 ( 1.293 -7.340 -0.978) 7.517 5.161 ( 0.307 -1.679 1.235) 2.107 5.298 ( -0.382 1.653 0.301) 1.723 5.333 ( 1.945 -5.577 3.266) 6.749 5.379 ( -0.918 -2.193 2.750) 3.636 5.512 ( 1.455 2.192 -2.450) 3.595 5.637 ( -3.936 -0.044 -2.337) 4.578 11.572 ( -1.453 -1.024 -2.654) 3.195 12.143 ( 3.069 8.224 2.844) 9.227 12.909 ( -1.332 -15.979 9.314) 18.544 13.776 ( -1.451 14.812 0.841) 14.907 17.815 ( 2.447 -10.929 -4.111) 11.930 18.681 ( -0.893 14.412 -2.090) 14.590 ======================= Grid point 465 (219/324) ======================= q-point: (-0.29 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -0.259 -3.528 -1.147) 3.718 2.130 ( -2.445 -10.927 -7.422) 13.434 2.215 ( -0.417 -2.389 0.917) 2.593 2.306 ( -0.019 -2.891 2.921) 4.110 2.665 ( -2.777 -0.104 1.151) 3.008 2.673 ( 1.362 -6.608 2.305) 7.129 3.101 ( 3.284 0.697 -6.593) 7.399 3.271 ( 2.638 -6.249 4.978) 8.414 3.333 ( -2.543 -10.723 4.863) 12.046 3.663 ( 0.920 5.063 -1.873) 5.476 3.876 ( 0.108 6.386 1.128) 6.486 4.260 ( -0.809 4.234 -3.119) 5.321 4.398 ( 0.469 0.732 -1.612) 1.831 5.067 ( -2.006 -0.499 0.151) 2.072 5.205 ( -1.433 0.198 2.013) 2.479 5.268 ( 1.256 -5.713 -0.395) 5.863 5.278 ( 1.988 -0.715 -1.677) 2.697 5.397 ( 0.079 -0.211 2.130) 2.142 5.470 ( 0.079 -1.998 2.458) 3.169 5.497 ( 2.804 -1.863 -1.930) 3.880 5.612 ( -2.886 -2.461 -2.084) 4.327 11.610 ( -1.105 -4.654 -1.256) 4.945 11.991 ( 1.366 10.767 2.455) 11.127 13.185 ( 0.808 -9.330 7.183) 11.802 13.516 ( -2.417 10.465 -3.866) 11.415 18.028 ( 1.521 -12.297 -1.819) 12.524 18.433 ( 0.004 11.556 -0.338) 11.561 ======================= Grid point 466 (220/324) ======================= q-point: (-0.21 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -0.651 -3.713 0.050) 3.770 2.159 ( -0.574 1.007 -3.070) 3.281 2.355 ( 2.398 -2.350 4.115) 5.311 2.401 ( -5.827 -12.327 -0.659) 13.651 2.660 ( 0.634 0.105 0.102) 0.650 2.736 ( 0.893 0.807 -3.043) 3.272 3.100 ( 2.566 -1.468 -3.686) 4.725 3.305 ( -0.231 6.930 5.572) 8.895 3.532 ( 1.209 -5.539 6.099) 8.327 3.630 ( -2.488 -6.458 -5.660) 8.940 3.753 ( 1.235 6.868 1.795) 7.205 4.139 ( 0.866 6.289 -2.718) 6.906 4.388 ( 0.457 -0.119 -0.946) 1.057 5.050 ( -2.627 1.858 1.779) 3.677 5.167 ( -0.025 3.170 1.313) 3.431 5.262 ( 0.780 3.609 -1.886) 4.147 5.311 ( 0.896 4.475 -0.130) 4.566 5.382 ( 1.540 -2.141 -0.457) 2.676 5.487 ( -0.376 -1.663 -0.894) 1.925 5.617 ( 0.239 -7.496 0.753) 7.538 5.668 ( -0.976 -3.786 0.145) 3.913 11.706 ( -1.038 -5.544 0.067) 5.640 11.803 ( 0.904 9.865 1.066) 9.963 13.178 ( 0.940 10.455 -3.253) 10.989 13.490 ( -1.870 -8.766 0.732) 8.994 18.229 ( 0.466 -0.414 1.920) 2.019 18.286 ( 0.575 -4.125 -1.053) 4.296 ======================= Grid point 467 (221/324) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -1.234 -3.549 2.419) 4.468 2.114 ( 1.229 2.445 -1.625) 3.183 2.359 ( -0.142 3.715 3.093) 4.836 2.549 ( -6.765 -4.348 -1.774) 8.235 2.642 ( -1.395 5.599 -3.397) 6.696 2.709 ( 1.127 -4.793 0.344) 4.936 3.117 ( 0.165 4.519 -2.208) 5.032 3.132 ( 3.467 7.530 1.359) 8.401 3.519 ( -1.049 4.741 0.310) 4.865 3.654 ( -5.783 3.448 1.217) 6.842 3.822 ( 0.434 -9.466 2.105) 9.707 4.068 ( 8.190 2.043 -1.474) 8.568 4.396 ( 0.303 -0.751 -0.400) 0.903 4.972 ( -2.220 6.205 3.462) 7.445 5.121 ( 0.493 3.113 -0.155) 3.155 5.151 ( 3.206 5.126 -3.733) 7.105 5.235 ( 0.655 4.567 -0.210) 4.618 5.420 ( -0.123 -1.242 -0.997) 1.597 5.509 ( 0.239 -0.818 -0.248) 0.888 5.681 ( -4.927 -1.547 0.667) 5.207 5.773 ( 1.107 -5.635 1.348) 5.898 11.613 ( -0.400 7.932 0.966) 8.001 11.858 ( 1.583 -7.963 -0.857) 8.163 12.951 ( 0.145 11.281 -7.089) 13.324 13.650 ( -1.405 -8.041 1.582) 8.314 18.149 ( 0.360 4.197 2.516) 4.906 18.491 ( -0.423 -12.170 -0.002) 12.177 ======================= Grid point 468 (222/324) ======================= q-point: (-0.07 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -2.320 2.859 2.393) 4.391 2.097 ( 2.419 0.775 1.822) 3.126 2.271 ( -1.351 5.513 2.439) 6.178 2.405 ( -3.230 10.783 -8.309) 13.991 2.538 ( -3.572 6.987 0.699) 7.878 2.782 ( -4.224 -0.816 2.219) 4.841 2.947 ( 3.328 6.781 0.270) 7.559 3.138 ( -0.044 -1.935 -1.743) 2.605 3.418 ( 2.155 4.896 -3.958) 6.655 3.556 ( -9.450 3.886 4.059) 10.995 3.866 ( 4.246 6.626 0.525) 7.887 4.172 ( 6.261 -6.803 2.275) 9.521 4.413 ( 0.215 -0.904 0.744) 1.190 4.857 ( 1.223 6.841 0.458) 6.964 5.035 ( 3.523 3.724 -3.890) 6.435 5.125 ( 0.094 0.447 -1.562) 1.628 5.147 ( 1.287 4.668 1.242) 4.999 5.419 ( -1.343 0.219 -1.013) 1.696 5.506 ( -0.613 1.174 -0.133) 1.331 5.675 ( -5.007 -1.025 1.508) 5.329 5.846 ( -0.710 -1.124 1.218) 1.803 11.517 ( 1.106 2.807 0.745) 3.108 12.017 ( 2.094 -8.517 -1.533) 8.903 12.700 ( -0.935 12.907 -6.349) 14.415 13.778 ( -1.020 -6.253 1.013) 6.416 18.118 ( -1.900 -0.091 1.464) 2.400 18.711 ( 0.282 -11.778 0.987) 11.822 ======================= Grid point 474 (223/324) ======================= q-point: ( 0.36 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 12.414 -0.000 -15.075) 19.529 1.716 ( 11.018 -0.000 -9.364) 14.460 1.730 ( 6.860 -0.000 2.212) 7.208 1.901 ( 8.089 -0.000 6.837) 10.592 2.271 ( -6.089 0.000 -4.449) 7.541 2.381 ( 11.486 -0.000 -5.184) 12.601 2.461 ( -10.760 0.000 0.328) 10.765 2.521 ( 6.742 -0.000 0.701) 6.779 2.803 ( -5.879 0.000 7.820) 9.783 3.274 ( -2.029 0.000 -5.082) 5.472 3.426 ( -2.588 0.000 0.409) 2.620 4.037 ( -5.732 0.000 4.003) 6.991 4.438 ( 1.429 -0.000 -6.631) 6.783 4.499 ( -1.408 0.000 -0.580) 1.523 4.655 ( 0.861 -0.000 0.474) 0.983 4.835 ( 1.638 -0.000 -0.404) 1.687 4.989 ( -3.381 0.000 0.849) 3.487 5.358 ( -4.070 0.000 7.405) 8.450 5.553 ( -6.784 0.000 7.528) 10.134 5.842 ( 6.906 -0.000 -4.230) 8.099 6.500 ( 0.864 -0.000 1.860) 2.051 10.560 ( -0.386 0.000 -3.425) 3.447 12.044 ( 2.377 -0.000 -0.850) 2.524 12.278 ( -0.467 0.000 2.051) 2.103 14.892 ( 3.380 -0.000 11.932) 12.402 17.532 ( -5.427 0.000 -21.815) 22.480 19.827 ( 2.126 -0.000 -6.354) 6.701 ======================= Grid point 475 (224/324) ======================= q-point: ( 0.43 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 11.955 -3.230 -12.840) 17.839 1.741 ( 13.259 -0.110 -7.641) 15.304 1.809 ( 3.843 -4.859 -0.245) 6.200 2.090 ( 7.344 -10.101 5.771) 13.757 2.159 ( -10.856 1.900 -1.556) 11.131 2.303 ( -2.641 1.967 -3.536) 4.832 2.557 ( 2.274 -1.213 3.046) 3.990 2.655 ( 1.859 -10.879 -0.262) 11.040 2.857 ( -2.820 -6.491 5.101) 8.724 3.239 ( 0.205 0.856 -2.646) 2.788 3.492 ( 1.170 -7.744 -1.671) 8.008 4.022 ( -7.259 -0.780 2.562) 7.737 4.399 ( 1.931 1.266 -7.097) 7.463 4.544 ( -1.003 -5.391 -0.421) 5.499 4.731 ( 0.118 -6.979 0.463) 6.996 4.879 ( 0.174 -2.674 1.738) 3.194 5.024 ( -2.268 -6.324 -1.144) 6.815 5.347 ( -3.209 2.640 7.499) 8.573 5.525 ( -6.307 2.490 7.152) 9.855 5.810 ( 5.569 5.002 -4.095) 8.533 6.363 ( 0.911 14.135 -0.398) 14.170 10.812 ( -2.814 -26.632 0.043) 26.780 12.011 ( 1.323 3.920 -1.291) 4.333 12.296 ( -0.206 -1.048 2.141) 2.392 14.849 ( 0.345 10.327 8.909) 13.644 17.447 ( 3.150 -0.876 -16.146) 16.474 19.736 ( 1.002 7.389 -6.649) 9.991 ======================= Grid point 476 (225/324) ======================= q-point: ( 0.50 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 9.065 -5.540 -7.282) 12.880 1.792 ( 16.027 0.158 -5.397) 16.912 1.922 ( -2.930 -6.813 -4.698) 8.779 2.046 ( -12.802 -1.387 1.257) 12.938 2.264 ( -3.285 -1.842 -3.434) 5.097 2.414 ( 6.873 -12.063 3.796) 14.393 2.602 ( 0.288 -2.212 2.809) 3.587 2.791 ( -2.966 -5.162 5.794) 8.308 3.066 ( -3.591 -13.355 0.500) 13.839 3.250 ( 3.775 -3.159 0.048) 4.923 3.677 ( 6.202 -9.978 -3.525) 12.266 4.025 ( -8.902 -4.221 0.757) 9.881 4.364 ( 2.310 0.340 -6.271) 6.691 4.666 ( 0.229 -7.980 -0.439) 7.996 4.875 ( -1.570 -6.956 0.158) 7.133 4.931 ( -0.511 -3.438 3.632) 5.027 5.182 ( 0.051 -10.985 -2.016) 11.168 5.304 ( -2.471 3.401 6.824) 8.015 5.471 ( -3.517 3.226 5.406) 7.211 5.689 ( 2.502 8.560 -3.080) 9.435 6.066 ( 0.980 16.346 -2.531) 16.570 11.367 ( -5.163 -30.932 3.429) 31.546 11.929 ( 0.471 3.248 0.201) 3.289 12.325 ( 0.990 -0.399 2.459) 2.681 14.637 ( -0.277 15.239 5.539) 16.217 17.445 ( 6.495 -2.528 -10.735) 12.799 19.522 ( -0.357 12.479 -6.218) 13.947 ======================= Grid point 477 (226/324) ======================= q-point: ( 0.57 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 4.735 -5.217 -1.601) 7.225 1.860 ( 13.006 -1.297 -2.708) 13.348 1.967 ( -8.234 -6.241 -9.885) 14.299 2.056 ( -8.228 -5.069 -2.391) 9.955 2.330 ( -1.219 -5.985 3.266) 6.927 2.564 ( 1.833 -2.155 2.987) 4.114 2.719 ( 1.653 -8.498 -0.488) 8.671 2.908 ( -3.954 -4.888 10.753) 12.456 3.176 ( -0.779 -2.035 -1.925) 2.908 3.477 ( 3.108 -16.985 -1.200) 17.309 3.826 ( 4.581 -3.256 -0.086) 5.621 4.106 ( -7.594 -9.415 -2.729) 12.400 4.360 ( 2.002 -1.222 -3.948) 4.592 4.823 ( 1.834 -8.691 -0.776) 8.917 4.939 ( -1.630 -2.993 1.034) 3.562 5.061 ( 0.044 -7.078 2.462) 7.494 5.258 ( -0.331 2.793 5.311) 6.010 5.362 ( 1.936 -5.507 -1.338) 5.989 5.422 ( -1.094 3.352 3.528) 4.988 5.529 ( -2.440 4.659 -2.709) 5.916 5.793 ( 0.466 12.033 -2.687) 12.338 11.638 ( -2.483 0.172 -3.574) 4.355 12.130 ( -2.001 -23.685 9.987) 25.782 12.333 ( 2.794 1.948 2.399) 4.166 14.364 ( -0.770 16.270 3.897) 16.748 17.508 ( 5.810 -5.174 -7.570) 10.855 19.236 ( -1.413 14.892 -5.055) 15.790 ======================= Grid point 478 (227/324) ======================= q-point: (-0.36 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 2.320 -5.624 0.944) 6.157 1.921 ( 1.986 -1.221 -5.726) 6.182 2.016 ( -1.242 -7.518 -5.426) 9.355 2.136 ( -1.562 -7.778 -4.732) 9.237 2.447 ( -1.024 -4.538 7.570) 8.885 2.626 ( -1.296 -2.640 3.487) 4.562 2.889 ( 0.599 -10.029 -2.495) 10.352 3.008 ( -4.270 -4.278 8.892) 10.752 3.186 ( 4.315 0.047 -2.891) 5.194 3.762 ( 1.495 -10.987 -6.448) 12.827 3.869 ( -0.041 0.019 8.192) 8.192 4.217 ( -2.747 -7.298 -6.175) 9.947 4.383 ( -0.027 -1.362 -1.048) 1.719 4.984 ( 2.026 -6.018 -0.049) 6.350 5.001 ( -1.080 -5.896 -0.802) 6.047 5.180 ( 0.895 -0.978 2.959) 3.242 5.230 ( 0.538 -1.448 0.832) 1.754 5.346 ( -1.675 1.569 1.623) 2.811 5.383 ( 1.026 2.020 1.955) 2.993 5.546 ( -0.056 -2.839 -2.498) 3.782 5.619 ( -0.728 5.167 -1.800) 5.520 11.565 ( -1.488 2.408 -2.981) 4.111 12.291 ( 1.815 4.924 2.221) 5.698 12.608 ( 0.501 -21.310 9.759) 23.443 14.072 ( -1.455 16.605 2.473) 16.851 17.630 ( 3.902 -8.463 -5.436) 10.788 18.933 ( -1.429 14.947 -3.332) 15.380 ======================= Grid point 479 (228/324) ======================= q-point: (-0.29 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 2.819 -5.556 2.250) 6.624 1.929 ( -1.903 -5.158 -8.223) 9.892 2.131 ( 0.636 -5.643 -0.813) 5.737 2.252 ( 2.096 -5.835 -2.115) 6.551 2.569 ( 0.986 -5.762 3.601) 6.866 2.663 ( -3.654 -0.674 7.258) 8.154 3.033 ( -0.858 -6.434 -6.650) 9.293 3.140 ( -1.200 -9.145 2.893) 9.666 3.222 ( 5.228 -2.525 2.339) 6.260 3.765 ( 0.819 4.547 -3.169) 5.603 3.937 ( -2.149 -0.712 4.929) 5.424 4.269 ( -1.018 -1.489 -5.019) 5.334 4.393 ( -0.687 -0.553 -0.927) 1.279 5.033 ( -2.210 -1.953 0.300) 2.964 5.148 ( 2.043 -7.585 -1.073) 7.928 5.170 ( -0.182 -1.306 0.495) 1.408 5.282 ( -3.089 0.567 1.067) 3.317 5.379 ( 1.487 -2.744 1.899) 3.653 5.411 ( 1.690 -5.146 2.583) 6.001 5.518 ( 3.948 2.545 -2.702) 5.419 5.583 ( -2.351 0.662 -1.458) 2.845 11.538 ( -1.148 -1.563 -1.435) 2.412 12.185 ( 0.839 8.364 1.421) 8.525 12.989 ( 1.690 -15.362 8.031) 17.417 13.763 ( -1.375 16.639 -0.072) 16.696 17.807 ( 1.975 -11.236 -3.551) 11.948 18.656 ( -0.476 13.276 -1.525) 13.372 ======================= Grid point 480 (229/324) ======================= q-point: (-0.21 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 0.904 -2.052 0.912) 2.421 2.050 ( -0.364 -9.411 -4.907) 10.619 2.220 ( -0.112 -4.818 0.885) 4.900 2.348 ( 2.684 -3.473 2.161) 4.892 2.653 ( -0.397 -1.855 1.071) 2.179 2.713 ( 0.809 -2.339 2.752) 3.702 3.062 ( 1.419 -1.659 -6.926) 7.261 3.329 ( -3.354 -8.544 3.762) 9.920 3.361 ( 3.590 -8.785 3.840) 10.238 3.640 ( 0.734 6.951 -4.627) 8.382 3.892 ( -0.609 5.783 2.557) 6.352 4.215 ( -2.948 3.610 -2.238) 5.170 4.388 ( 0.182 0.208 -1.198) 1.230 5.050 ( -2.091 -0.769 1.107) 2.488 5.198 ( -2.388 -0.157 1.335) 2.740 5.271 ( 0.569 -2.567 -1.077) 2.841 5.278 ( 0.343 -4.315 -1.088) 4.463 5.429 ( 2.020 -1.334 1.567) 2.884 5.480 ( 2.173 4.020 -0.659) 4.617 5.532 ( 2.026 -1.817 0.740) 2.821 5.567 ( -1.438 -5.716 -1.316) 6.039 11.593 ( -0.844 -5.123 -0.212) 5.197 12.012 ( -0.444 10.880 0.830) 10.920 13.267 ( 2.147 -9.847 6.993) 12.267 13.459 ( -0.766 14.036 -3.929) 14.595 18.022 ( 0.275 -12.675 -1.932) 12.824 18.433 ( 0.539 10.590 -0.267) 10.607 ======================= Grid point 481 (230/324) ======================= q-point: (-0.14 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.871 -3.671 1.432) 4.036 2.124 ( -0.474 -0.700 -1.772) 1.964 2.341 ( -4.527 -7.960 -0.490) 9.170 2.433 ( 2.789 -2.049 5.734) 6.697 2.684 ( 2.256 -1.062 1.483) 2.901 2.710 ( 0.501 3.143 -3.799) 4.956 3.081 ( 0.585 -2.290 -4.105) 4.737 3.354 ( -0.082 8.036 5.426) 9.697 3.527 ( -3.770 -0.476 -5.841) 6.968 3.599 ( -0.185 -11.017 2.796) 11.368 3.773 ( 1.092 6.713 0.484) 6.819 4.133 ( 1.657 2.454 -1.596) 3.364 4.385 ( 0.394 -0.245 -0.862) 0.979 5.043 ( -2.225 1.316 2.556) 3.636 5.169 ( -0.797 2.304 0.498) 2.488 5.258 ( 1.244 3.657 -1.332) 4.086 5.328 ( 1.763 2.860 -0.001) 3.360 5.386 ( 1.082 0.952 -1.408) 2.015 5.490 ( 1.285 -1.821 0.250) 2.243 5.594 ( -3.351 -4.580 -0.980) 5.759 5.678 ( 0.855 -5.748 1.304) 5.956 11.697 ( -0.976 -5.287 0.484) 5.398 11.815 ( 0.338 8.947 -0.019) 8.953 13.167 ( 1.583 13.985 -1.992) 14.215 13.491 ( -0.448 -9.306 2.065) 9.543 18.243 ( -0.573 -7.259 0.867) 7.333 18.278 ( 0.333 1.842 -1.553) 2.432 ======================= Grid point 482 (231/324) ======================= q-point: (-0.07 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.359 -3.233 3.936) 5.106 2.092 ( -0.285 1.658 -3.267) 3.675 2.390 ( -0.494 1.194 -0.052) 1.293 2.480 ( -4.817 0.397 4.112) 6.345 2.582 ( -3.674 7.022 -3.024) 8.483 2.748 ( 1.842 -2.767 3.342) 4.714 3.085 ( -0.100 1.005 -4.280) 4.397 3.179 ( 3.174 10.059 0.518) 10.561 3.484 ( -4.742 2.081 0.146) 5.181 3.589 ( -6.029 5.291 -0.816) 8.062 3.857 ( 2.553 -8.049 1.143) 8.521 4.151 ( 9.120 -1.586 -1.511) 9.379 4.394 ( 0.239 -0.968 -0.606) 1.167 4.991 ( -0.942 5.231 4.438) 6.924 5.120 ( 0.402 3.016 -0.931) 3.182 5.157 ( 3.797 5.681 -3.179) 7.537 5.253 ( 2.112 5.146 0.632) 5.599 5.397 ( -1.619 -1.187 -1.569) 2.548 5.516 ( 0.606 -0.083 0.277) 0.671 5.624 ( -6.151 -2.006 0.343) 6.479 5.790 ( -0.125 -4.858 0.949) 4.951 11.622 ( 0.365 7.129 1.209) 7.240 11.864 ( 1.399 -8.010 -1.467) 8.262 12.921 ( 1.217 13.142 -1.293) 13.261 13.647 ( -1.629 -7.589 1.340) 7.877 18.155 ( -0.825 4.653 -0.637) 4.768 18.484 ( -0.827 -13.002 -0.074) 13.029 ======================= Grid point 489 (232/324) ======================= q-point: ( 0.43 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 13.728 -0.000 -15.735) 20.882 1.737 ( 5.847 -0.000 -7.126) 9.217 1.793 ( 4.182 -0.000 -1.137) 4.334 2.033 ( 6.595 -0.000 4.647) 8.068 2.143 ( -8.948 0.000 -3.181) 9.497 2.361 ( -7.514 0.000 0.244) 7.518 2.489 ( 7.442 -0.000 3.825) 8.367 2.590 ( 4.132 -0.000 1.135) 4.285 2.807 ( -5.186 0.000 4.869) 7.114 3.259 ( 8.024 -0.000 -4.318) 9.112 3.405 ( -1.875 0.000 0.488) 1.938 3.985 ( -7.689 0.000 0.994) 7.753 4.391 ( 1.991 -0.000 -7.523) 7.782 4.483 ( -0.582 0.000 -0.602) 0.837 4.666 ( 0.338 -0.000 0.447) 0.560 4.846 ( 0.925 -0.000 -0.411) 1.012 4.960 ( -2.969 0.000 0.764) 3.065 5.391 ( -2.653 0.000 7.544) 7.997 5.544 ( -7.780 0.000 8.056) 11.200 5.871 ( 6.037 -0.000 -4.732) 7.670 6.508 ( -1.074 0.000 0.447) 1.163 10.527 ( 0.033 -0.000 -3.325) 3.325 12.048 ( 0.486 -0.000 -1.250) 1.342 12.290 ( -0.555 0.000 1.868) 1.949 14.971 ( -4.065 0.000 6.022) 7.265 17.417 ( 10.780 -0.000 -11.010) 15.409 19.775 ( -0.119 0.000 -7.575) 7.576 ======================= Grid point 490 (233/324) ======================= q-point: ( 0.50 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 11.635 -4.203 -14.043) 18.714 1.764 ( 0.179 -3.395 -5.958) 6.860 1.820 ( 1.067 -2.504 -1.391) 3.057 2.069 ( -3.247 3.313 2.497) 5.269 2.216 ( -1.185 -4.517 0.486) 4.695 2.228 ( 4.658 -3.976 -2.021) 6.450 2.612 ( 1.319 0.153 4.373) 4.570 2.688 ( -0.980 -9.334 4.250) 10.303 2.842 ( -5.373 -6.344 2.822) 8.780 3.263 ( 6.275 1.684 -1.361) 6.638 3.505 ( 5.262 -9.413 -2.677) 11.111 3.945 ( -7.916 -0.257 -0.377) 7.930 4.358 ( 2.271 0.829 -6.777) 7.195 4.534 ( 0.075 -5.666 -0.571) 5.696 4.734 ( -0.369 -6.464 0.440) 6.490 4.896 ( -0.232 -3.145 2.018) 3.744 4.993 ( -1.229 -6.302 -1.409) 6.574 5.386 ( -2.444 2.654 7.523) 8.344 5.521 ( -6.193 1.807 7.042) 9.550 5.829 ( 4.798 5.546 -4.100) 8.401 6.355 ( -0.865 14.254 -1.117) 14.324 10.787 ( -1.337 -27.078 -0.409) 27.114 12.006 ( -0.216 3.834 -0.800) 3.923 12.313 ( -0.054 -1.689 1.922) 2.559 14.875 ( -4.456 9.128 2.819) 10.541 17.442 ( 13.131 0.521 -7.071) 14.923 19.669 ( -1.277 7.083 -7.391) 10.317 ======================= Grid point 491 (234/324) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 6.810 -6.958 -8.531) 12.945 1.771 ( -11.474 -4.119 -4.764) 13.089 1.897 ( 4.925 -4.493 -2.783) 7.224 1.994 ( 1.374 5.399 1.986) 5.915 2.210 ( -0.372 -6.200 -2.224) 6.597 2.510 ( 6.667 -10.506 0.605) 12.457 2.625 ( -1.036 -0.572 2.767) 3.009 2.830 ( -2.499 -6.211 7.995) 10.428 3.023 ( -4.557 -12.780 0.997) 13.605 3.286 ( 2.860 -3.349 -1.421) 4.627 3.728 ( 8.025 -10.759 -2.899) 13.732 3.920 ( -8.770 -3.018 -0.891) 9.317 4.336 ( 2.218 -0.257 -5.250) 5.705 4.669 ( 1.407 -8.477 -0.784) 8.629 4.861 ( -1.562 -6.111 0.723) 6.349 4.957 ( 0.023 -4.106 2.675) 4.900 5.168 ( 0.419 -12.150 -1.941) 12.311 5.346 ( -1.703 3.709 7.085) 8.176 5.483 ( -3.018 2.444 4.922) 6.270 5.687 ( 2.302 10.091 -2.867) 10.740 6.045 ( -0.383 16.387 -2.661) 16.606 11.353 ( -1.317 -29.506 1.859) 29.594 11.938 ( -0.466 0.661 1.859) 2.028 12.357 ( 1.292 -1.406 1.880) 2.680 14.648 ( -3.263 13.812 1.974) 14.329 17.469 ( 10.196 -0.148 -6.597) 12.145 19.451 ( -2.213 11.925 -5.955) 13.512 ======================= Grid point 492 (235/324) ======================= q-point: (-0.36 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.586 -6.182 -1.344) 6.353 1.791 ( -8.942 -7.195 -6.782) 13.332 1.932 ( -2.372 -1.350 -3.247) 4.242 2.014 ( 13.307 -3.004 -2.152) 13.810 2.358 ( -0.274 -7.939 4.514) 9.136 2.616 ( 1.872 -0.527 3.338) 3.863 2.711 ( -0.119 -7.933 -3.203) 8.556 2.959 ( -3.844 -4.085 8.968) 10.578 3.165 ( -0.168 -3.897 0.495) 3.932 3.471 ( 1.261 -15.965 -4.859) 16.735 3.889 ( 3.719 -2.368 3.849) 5.852 3.988 ( -7.527 -10.497 -4.464) 13.667 4.347 ( 1.396 -1.789 -3.023) 3.780 4.838 ( 2.612 -9.052 -1.278) 9.508 4.931 ( -1.270 -3.016 1.192) 3.483 5.085 ( 0.718 -7.253 1.679) 7.479 5.302 ( -0.935 2.292 4.382) 5.033 5.371 ( 1.377 -6.283 0.421) 6.446 5.441 ( -1.350 3.109 2.003) 3.936 5.489 ( 0.619 7.442 -2.195) 7.784 5.772 ( 0.058 11.539 -2.423) 11.791 11.594 ( -0.468 0.672 -2.136) 2.288 12.198 ( -1.202 -22.441 8.136) 23.901 12.390 ( 4.749 -0.991 1.444) 5.061 14.369 ( -2.931 15.624 2.136) 16.040 17.513 ( 5.721 -3.744 -6.727) 9.592 19.175 ( -2.210 14.016 -3.676) 14.657 ======================= Grid point 493 (236/324) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.760 -7.779 1.328) 7.928 1.822 ( -3.910 -2.623 -5.972) 7.605 2.012 ( 2.079 -8.196 -3.617) 9.197 2.142 ( 9.754 -4.848 -1.690) 11.023 2.502 ( -0.133 -5.033 5.576) 7.513 2.660 ( -1.089 -1.648 6.422) 6.719 2.845 ( -1.736 -9.105 -5.386) 10.720 3.025 ( -3.519 -3.690 3.989) 6.474 3.227 ( 4.715 -1.779 0.209) 5.044 3.708 ( -0.473 -9.631 -5.950) 11.331 3.939 ( -1.257 -0.020 8.565) 8.657 4.124 ( -3.793 -9.602 -6.096) 11.990 4.373 ( -0.462 -1.150 -0.577) 1.367 4.977 ( -2.021 -3.217 0.324) 3.813 5.013 ( 3.147 -7.776 -0.939) 8.441 5.203 ( -0.279 -0.054 1.404) 1.432 5.247 ( 1.168 0.584 0.657) 1.462 5.342 ( -1.542 -0.133 0.392) 1.596 5.400 ( -0.071 1.283 1.327) 1.847 5.544 ( 2.227 -4.151 -0.483) 4.735 5.606 ( 1.256 6.052 -1.499) 6.361 11.536 ( -0.284 2.341 -0.963) 2.547 12.307 ( -1.278 3.996 0.515) 4.227 12.722 ( 6.392 -19.759 6.831) 21.862 14.067 ( -2.672 16.616 1.691) 16.914 17.617 ( 2.255 -8.290 -5.654) 10.285 18.895 ( -1.097 13.914 -1.475) 14.035 ======================= Grid point 494 (237/324) ======================= q-point: (-0.21 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -0.441 -1.007 -1.948) 2.237 1.851 ( 3.616 -10.767 0.135) 11.359 2.150 ( 2.869 -5.244 -0.429) 5.992 2.276 ( 5.955 -5.752 -1.518) 8.417 2.593 ( 0.517 -3.724 0.410) 3.782 2.718 ( -1.777 -1.102 10.237) 10.448 2.958 ( -1.327 -6.842 -6.709) 9.674 3.130 ( -1.828 -8.543 -0.928) 8.786 3.302 ( 5.183 -3.656 1.988) 6.647 3.733 ( -0.229 3.098 -4.027) 5.086 3.959 ( -3.059 0.941 5.740) 6.571 4.202 ( -3.622 -2.517 -3.679) 5.744 4.380 ( -0.903 -0.475 -0.172) 1.035 5.015 ( -2.082 -2.221 1.037) 3.216 5.147 ( -0.718 -4.503 -1.627) 4.841 5.181 ( 1.964 -3.042 0.567) 3.665 5.255 ( -3.322 0.797 0.589) 3.467 5.399 ( 0.721 -3.550 0.020) 3.623 5.440 ( 0.981 -5.205 0.034) 5.297 5.541 ( 3.532 1.987 -1.259) 4.244 5.579 ( 2.487 1.721 0.932) 3.165 11.525 ( -0.361 -1.590 0.314) 1.660 12.183 ( -1.700 8.152 -0.659) 8.353 13.087 ( 5.413 -13.745 4.481) 15.437 13.752 ( -1.105 17.008 0.749) 17.060 17.786 ( 0.058 -11.598 -3.827) 12.214 18.647 ( 0.331 12.498 -0.144) 12.503 ======================= Grid point 495 (238/324) ======================= q-point: (-0.14 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.564 -2.817 -0.850) 2.996 2.060 ( 3.965 -7.160 3.182) 8.782 2.227 ( 0.475 -2.902 -0.188) 2.946 2.397 ( 3.994 -5.044 0.663) 6.468 2.663 ( 0.639 -3.308 -0.249) 3.379 2.752 ( 1.722 1.350 3.737) 4.330 3.015 ( 0.404 -3.089 -5.428) 6.259 3.300 ( -3.373 -11.131 -1.222) 11.695 3.435 ( 2.660 -6.381 3.557) 7.774 3.603 ( -0.534 8.113 -3.611) 8.896 3.903 ( -0.852 5.661 1.350) 5.882 4.162 ( -4.437 1.887 -0.313) 4.832 4.381 ( 0.099 -0.123 -0.657) 0.676 5.042 ( -1.949 -0.986 1.868) 2.873 5.178 ( -2.940 -0.847 0.592) 3.117 5.257 ( -0.811 -2.605 -1.232) 2.993 5.278 ( 0.986 -4.321 -0.648) 4.479 5.456 ( 1.270 -2.442 -0.056) 2.753 5.507 ( -0.237 0.971 -1.891) 2.139 5.517 ( 3.829 2.396 -1.218) 4.679 5.594 ( 2.074 -3.920 2.871) 5.283 11.589 ( -0.535 -5.066 0.877) 5.169 11.997 ( -2.045 10.180 -0.912) 10.423 13.328 ( 2.227 -8.229 -1.052) 8.590 13.457 ( 2.165 14.642 3.496) 15.209 17.998 ( -1.271 -13.151 -2.128) 13.383 18.440 ( 1.050 10.486 -0.002) 10.538 ======================= Grid point 496 (239/324) ======================= q-point: (-0.07 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 1.742 -4.605 0.938) 5.012 2.132 ( 0.718 1.962 2.882) 3.559 2.289 ( -3.143 -4.981 -1.714) 6.134 2.510 ( 2.753 -2.852 4.445) 5.956 2.672 ( -0.521 3.879 -2.968) 4.912 2.746 ( 3.781 0.279 3.005) 4.837 3.043 ( -0.430 -2.255 -4.288) 4.864 3.395 ( 0.728 10.770 0.642) 10.813 3.430 ( -5.934 -4.552 -1.319) 7.594 3.591 ( -3.094 -5.367 -0.482) 6.214 3.795 ( 2.401 3.393 -0.017) 4.157 4.144 ( 2.367 -1.804 -0.957) 3.126 4.382 ( 0.432 -0.244 -0.581) 0.765 5.047 ( -1.701 0.482 2.872) 3.373 5.163 ( -0.871 1.524 0.178) 1.764 5.264 ( 1.587 2.634 -0.867) 3.195 5.332 ( -0.428 -1.630 -0.620) 1.795 5.398 ( 3.209 6.501 -1.031) 7.323 5.512 ( 1.847 -1.532 0.378) 2.430 5.542 ( -3.922 -2.812 -1.146) 4.960 5.697 ( 0.260 -5.181 1.169) 5.318 11.694 ( -0.683 -4.874 0.932) 5.009 11.810 ( -0.364 7.175 -1.007) 7.254 13.177 ( 2.206 13.490 -0.625) 13.683 13.515 ( 0.526 -6.687 2.773) 7.258 18.229 ( -1.724 -13.633 -0.806) 13.766 18.271 ( 0.522 8.323 -1.097) 8.411 ======================= Grid point 504 (240/324) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 8.886 -0.000 -17.888) 19.974 1.697 ( -4.208 0.000 -4.099) 5.875 1.812 ( 0.637 -0.000 0.897) 1.100 2.060 ( 0.356 -0.000 -3.787) 3.804 2.128 ( 5.588 -0.000 1.917) 5.908 2.315 ( -1.230 0.000 0.217) 1.249 2.532 ( -9.698 0.000 4.716) 10.784 2.644 ( 0.536 -0.000 5.756) 5.781 2.796 ( -2.151 0.000 3.161) 3.823 3.356 ( 17.141 -0.000 -6.376) 18.288 3.396 ( -0.649 0.000 0.556) 0.855 3.908 ( -5.434 0.000 -0.692) 5.478 4.349 ( 2.066 -0.000 -6.559) 6.877 4.476 ( 0.331 -0.000 -0.576) 0.664 4.670 ( -0.270 0.000 0.420) 0.499 4.848 ( 0.159 -0.000 -0.381) 0.413 4.943 ( -1.460 0.000 0.963) 1.749 5.431 ( -2.367 0.000 7.073) 7.459 5.534 ( -6.770 0.000 7.506) 10.108 5.890 ( 5.197 -0.000 -4.369) 6.790 6.490 ( -2.506 0.000 0.091) 2.507 10.500 ( 0.224 -0.000 -2.804) 2.813 12.038 ( -0.729 0.000 -0.368) 0.817 12.300 ( -0.366 0.000 1.568) 1.611 14.936 ( -5.914 0.000 0.312) 5.922 17.512 ( 16.309 -0.000 -4.571) 16.937 19.692 ( -2.279 0.000 -7.453) 7.794 ======================= Grid point 505 (241/324) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 3.031 -5.994 -16.325) 17.653 1.657 ( -11.494 -1.023 -1.386) 11.622 1.834 ( 1.482 -1.963 1.722) 3.002 2.086 ( 3.658 -3.442 -1.832) 5.346 2.177 ( 0.876 8.359 -0.190) 8.407 2.309 ( 6.821 -12.846 -1.425) 14.615 2.626 ( -5.880 -4.394 1.992) 7.606 2.688 ( -7.928 -7.278 7.143) 12.917 2.834 ( -0.281 -4.086 3.095) 5.134 3.314 ( 4.989 3.784 -2.062) 6.593 3.554 ( 8.979 -9.572 -5.147) 14.097 3.877 ( -2.501 0.507 0.732) 2.655 4.326 ( 2.017 0.421 -5.552) 5.922 4.535 ( 1.225 -5.974 -0.628) 6.131 4.732 ( -0.647 -6.201 0.554) 6.259 4.913 ( -0.009 -4.355 2.084) 4.828 4.972 ( -0.210 -5.648 -1.370) 5.816 5.426 ( -2.392 2.461 6.918) 7.722 5.521 ( -4.612 1.275 6.011) 7.683 5.842 ( 4.185 5.933 -3.568) 8.090 6.327 ( -2.547 14.407 -0.701) 14.647 10.781 ( 0.881 -28.505 -0.180) 28.519 11.997 ( -0.941 3.548 0.390) 3.691 12.329 ( 0.198 -2.286 1.419) 2.698 14.833 ( -4.702 7.753 0.533) 9.083 17.540 ( 13.545 3.215 -6.624) 15.417 19.582 ( -3.126 6.670 -5.890) 9.431 ======================= Grid point 506 (242/324) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -2.842 -10.147 -10.797) 15.086 1.612 ( -14.797 -3.157 0.401) 15.136 1.883 ( 1.178 -1.283 -0.822) 1.926 2.100 ( 11.738 2.466 0.650) 12.012 2.216 ( 2.680 -8.416 -0.061) 8.833 2.550 ( 2.437 -9.368 -3.756) 10.383 2.636 ( -0.574 -0.022 2.577) 2.640 2.853 ( -7.499 -9.807 7.004) 14.194 3.000 ( -1.402 -12.164 1.947) 12.398 3.281 ( 0.663 -1.397 -3.561) 3.882 3.740 ( -0.177 -9.896 -5.765) 11.454 3.896 ( 3.557 -1.393 4.491) 5.896 4.314 ( 1.597 -0.723 -4.346) 4.686 4.682 ( 2.541 -8.738 -0.994) 9.154 4.857 ( -0.944 -6.013 1.206) 6.205 4.983 ( 1.096 -4.123 1.951) 4.691 5.154 ( 0.038 -12.140 -1.748) 12.265 5.392 ( -0.871 2.886 5.994) 6.709 5.493 ( -2.293 2.181 3.486) 4.708 5.690 ( 2.476 10.966 -2.026) 11.423 6.012 ( -1.837 16.006 -1.894) 16.222 11.382 ( 4.120 -28.002 1.793) 28.361 11.953 ( -0.526 -2.371 2.499) 3.485 12.385 ( 1.561 -2.345 0.758) 2.917 14.623 ( -3.867 12.881 2.008) 13.598 17.499 ( 7.046 2.279 -9.563) 12.095 19.378 ( -3.183 11.088 -3.004) 11.921 ======================= Grid point 507 (243/324) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -6.405 -9.923 -3.861) 12.425 1.659 ( -8.492 -9.381 -2.231) 12.849 1.910 ( 4.289 -1.905 -1.532) 4.937 2.175 ( 16.020 -0.778 0.298) 16.042 2.401 ( 0.987 -8.737 3.622) 9.509 2.636 ( -2.622 -3.789 -1.499) 4.845 2.684 ( 1.774 -3.813 -0.796) 4.280 2.976 ( -5.428 -3.043 5.290) 8.167 3.169 ( -1.098 -6.587 1.055) 6.761 3.432 ( -0.134 -15.176 -4.144) 15.732 3.877 ( -4.586 -10.307 -4.974) 12.330 3.971 ( 2.309 -0.760 6.816) 7.236 4.334 ( 0.508 -2.212 -2.384) 3.291 4.855 ( 2.801 -8.626 -1.538) 9.199 4.936 ( -0.352 -3.125 1.630) 3.542 5.109 ( 1.666 -6.994 0.909) 7.247 5.302 ( -2.612 -2.740 0.505) 3.819 5.401 ( 1.211 1.256 0.172) 1.753 5.423 ( -1.196 4.507 0.933) 4.755 5.516 ( 3.534 4.169 0.951) 5.547 5.752 ( -0.363 10.413 -1.557) 10.535 11.594 ( 2.033 2.235 0.255) 3.032 12.240 ( -0.887 -15.655 3.495) 16.064 12.470 ( 8.330 -9.349 0.698) 12.541 14.350 ( -4.131 15.342 2.561) 16.094 17.485 ( 1.721 -3.469 -9.031) 9.826 19.132 ( -2.053 13.013 -0.293) 13.177 ======================= Grid point 508 (244/324) ======================= q-point: (-0.21 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -3.151 -11.077 -3.657) 12.083 1.787 ( 0.068 -6.549 1.146) 6.649 2.019 ( 4.515 -7.987 -0.634) 9.197 2.272 ( 14.076 -0.452 -0.660) 14.099 2.538 ( 0.512 -3.851 1.714) 4.246 2.712 ( -1.426 -4.296 7.255) 8.551 2.771 ( -2.109 -7.382 -4.379) 8.838 3.004 ( -3.461 -3.421 -0.080) 4.867 3.275 ( 3.593 -3.802 -0.337) 5.242 3.653 ( -2.219 -9.288 -2.574) 9.890 3.983 ( -2.334 -0.476 1.943) 3.074 4.044 ( -3.502 -8.559 0.839) 9.286 4.360 ( -1.441 -1.231 -0.062) 1.896 4.962 ( -1.427 -2.940 0.431) 3.296 5.034 ( 2.223 -6.539 -1.058) 6.987 5.210 ( 0.026 1.048 0.933) 1.403 5.260 ( 0.564 2.301 -0.227) 2.380 5.313 ( -1.593 -2.117 -2.429) 3.594 5.417 ( 1.332 0.349 0.749) 1.567 5.573 ( 0.842 -2.091 2.437) 3.319 5.622 ( 4.287 3.443 -1.362) 5.664 11.542 ( 1.040 2.860 1.175) 3.262 12.278 ( -2.803 3.782 -1.450) 4.926 12.857 ( 10.860 -17.980 1.478) 21.057 14.050 ( -3.535 16.031 2.224) 16.566 17.571 ( -0.681 -9.094 -5.922) 10.874 18.886 ( -0.352 13.154 1.134) 13.208 ======================= Grid point 509 (245/324) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -1.181 -6.001 -3.652) 7.123 1.963 ( 6.993 -9.021 5.704) 12.760 2.184 ( 3.844 -5.054 0.610) 6.379 2.343 ( 8.097 -2.328 -1.978) 8.655 2.591 ( -0.006 -3.078 -1.330) 3.353 2.797 ( 0.088 -0.677 9.068) 9.094 2.895 ( -1.287 -8.002 -3.323) 8.759 3.090 ( -1.177 -8.185 -3.867) 9.129 3.358 ( 4.117 -4.102 -1.265) 5.948 3.696 ( -1.816 2.209 -1.396) 3.183 3.966 ( -3.246 1.641 2.902) 4.653 4.133 ( -5.754 -2.567 0.148) 6.303 4.369 ( -1.269 -0.803 0.400) 1.554 5.007 ( -1.430 -2.564 1.346) 3.229 5.112 ( -2.502 -3.120 -1.919) 4.436 5.214 ( 2.658 -2.318 -0.920) 3.645 5.223 ( -2.511 0.218 1.158) 2.774 5.387 ( -0.271 -5.061 -3.085) 5.934 5.452 ( 1.692 -2.363 0.273) 2.919 5.577 ( 3.895 0.641 -0.058) 3.947 5.631 ( 3.654 1.601 2.252) 4.581 11.534 ( 0.228 -1.053 1.774) 2.076 12.142 ( -3.088 7.823 -2.398) 8.746 13.173 ( 7.657 -11.035 -1.928) 13.568 13.758 ( -0.746 15.375 2.801) 15.646 17.744 ( -1.565 -12.242 -2.886) 12.674 18.659 ( 0.964 12.338 1.150) 12.429 ======================= Grid point 510 (246/324) ======================= q-point: (-0.07 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 0.966 -4.905 -0.169) 5.002 2.172 ( 6.606 -4.279 7.204) 10.670 2.219 ( -0.056 0.473 -2.263) 2.313 2.446 ( 4.494 -5.616 -0.122) 7.194 2.659 ( 0.392 -3.797 -1.212) 4.005 2.822 ( 4.542 2.539 3.655) 6.359 2.974 ( -0.389 -3.109 -3.465) 4.672 3.245 ( -2.470 -10.414 -3.131) 11.152 3.462 ( -0.444 -6.006 -1.728) 6.266 3.577 ( -1.533 8.396 1.684) 8.699 3.898 ( -0.430 5.166 -0.666) 5.226 4.117 ( -4.940 -0.460 1.615) 5.218 4.379 ( 0.080 -0.383 -0.162) 0.423 5.041 ( -1.708 -1.183 2.268) 3.076 5.145 ( -3.529 -2.206 -0.180) 4.165 5.237 ( -0.572 -3.827 -1.407) 4.117 5.288 ( 1.423 -2.619 0.130) 2.983 5.435 ( -1.376 -2.425 -3.500) 4.475 5.503 ( 1.350 -1.819 0.408) 2.302 5.564 ( 5.542 4.781 -1.460) 7.463 5.643 ( 1.461 -1.390 3.556) 4.088 11.595 ( -0.456 -4.611 1.685) 4.931 11.957 ( -2.640 9.006 -2.105) 9.618 13.314 ( 2.722 -1.580 -6.283) 7.027 13.541 ( 2.918 8.875 6.386) 11.316 17.964 ( -1.905 -13.474 -1.037) 13.647 18.454 ( 1.310 11.117 0.134) 11.194 ======================= Grid point 519 (247/324) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -2.669 0.000 -17.688) 17.889 1.575 ( -13.563 0.000 -0.869) 13.591 1.848 ( 2.784 -0.000 2.971) 4.072 2.075 ( 8.874 -0.000 -5.253) 10.313 2.186 ( 4.783 -0.000 -1.832) 5.122 2.335 ( 3.424 -0.000 1.336) 3.676 2.397 ( -21.579 0.000 5.252) 22.209 2.659 ( -6.510 0.000 3.874) 7.575 2.828 ( 2.573 -0.000 2.897) 3.875 3.402 ( 0.802 -0.000 0.585) 0.993 3.467 ( 14.963 -0.000 -10.569) 18.319 3.895 ( 3.184 -0.000 2.859) 4.279 4.317 ( 1.811 -0.000 -5.149) 5.458 4.480 ( 1.233 -0.000 -0.507) 1.333 4.668 ( -0.852 0.000 0.396) 0.940 4.842 ( -0.617 0.000 -0.321) 0.696 4.948 ( 0.414 -0.000 1.335) 1.398 5.466 ( -2.717 0.000 6.575) 7.114 5.535 ( -4.207 0.000 5.838) 7.196 5.905 ( 4.522 -0.000 -3.935) 5.994 6.462 ( -3.694 0.000 1.454) 3.970 10.481 ( 0.176 -0.000 -1.946) 1.954 12.029 ( -1.107 0.000 0.727) 1.324 12.311 ( 0.037 -0.000 1.194) 1.195 14.885 ( -3.807 0.000 1.762) 4.195 17.618 ( 13.236 -0.000 -10.724) 17.035 19.601 ( -3.902 0.000 -4.335) 5.832 ======================= Grid point 520 (248/324) ======================= q-point: (-0.36 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -7.219 -7.803 -13.932) 17.524 1.497 ( -18.117 -0.625 1.432) 18.184 1.887 ( 5.268 -0.774 0.690) 5.369 2.113 ( 4.588 -3.596 -2.306) 6.269 2.197 ( -2.209 3.639 2.820) 5.106 2.347 ( 5.801 -11.588 -5.042) 13.905 2.550 ( -8.984 -12.149 2.431) 15.304 2.647 ( -8.065 -2.458 3.239) 9.033 2.880 ( 2.654 -3.174 3.259) 5.267 3.331 ( 3.101 5.607 -3.662) 7.380 3.570 ( 4.386 -6.868 -6.899) 10.677 3.941 ( 8.242 0.237 5.466) 9.893 4.299 ( 1.360 0.314 -4.641) 4.846 4.549 ( 2.339 -6.351 -0.606) 6.795 4.731 ( -0.693 -6.415 0.618) 6.482 4.929 ( -0.152 -8.518 0.778) 8.555 4.969 ( 1.254 -1.943 0.077) 2.314 5.459 ( -2.050 2.107 5.837) 6.536 5.528 ( -2.783 1.251 4.287) 5.262 5.854 ( 3.778 6.047 -3.388) 7.894 6.292 ( -4.061 15.012 1.274) 15.604 10.808 ( 4.064 -32.033 0.502) 32.293 11.993 ( -1.043 3.298 1.015) 3.604 12.343 ( 0.509 -2.584 0.750) 2.739 14.811 ( -2.566 7.760 4.557) 9.358 17.560 ( 7.249 5.130 -16.274) 18.539 19.508 ( -4.129 6.098 -1.211) 7.463 ======================= Grid point 521 (249/324) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -8.570 -12.887 -7.454) 17.178 1.446 ( -17.103 -5.222 1.406) 17.938 1.926 ( 6.386 -0.275 -0.436) 6.407 2.225 ( 7.332 -3.078 2.592) 8.364 2.254 ( 4.169 -8.433 -0.370) 9.415 2.507 ( -2.357 -6.226 -4.468) 8.017 2.655 ( 1.824 -2.978 -0.615) 3.546 2.787 ( -11.917 -14.118 3.766) 18.855 3.033 ( 2.263 -9.165 3.551) 10.086 3.242 ( -0.779 0.038 -4.399) 4.468 3.687 ( 0.380 -7.217 -4.343) 8.431 4.014 ( 6.674 -0.089 6.982) 9.659 4.290 ( 0.665 -1.108 -3.931) 4.138 4.705 ( 3.399 -8.687 -1.068) 9.389 4.860 ( -0.672 -6.348 1.340) 6.522 5.017 ( 2.624 -3.770 1.142) 4.733 5.139 ( -0.179 -11.563 -1.239) 11.631 5.432 ( 0.322 2.089 3.331) 3.945 5.495 ( -1.980 2.784 2.226) 4.077 5.703 ( 2.685 10.542 -1.763) 11.021 5.975 ( -3.226 15.483 0.087) 15.816 11.479 ( 10.300 -26.053 2.238) 28.104 11.968 ( 0.167 -5.522 0.989) 5.613 12.405 ( 2.127 -3.368 -0.628) 4.033 14.615 ( -3.467 14.050 5.215) 15.383 17.423 ( -0.112 1.930 -15.526) 15.646 19.336 ( -3.300 10.222 1.748) 10.883 ======================= Grid point 522 (250/324) ======================= q-point: (-0.21 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -6.988 -12.919 -2.407) 14.884 1.561 ( -6.728 -13.656 -0.988) 15.255 1.979 ( 6.451 -1.779 2.258) 7.063 2.341 ( 13.124 -1.862 -0.851) 13.283 2.439 ( 2.714 -8.244 0.380) 8.687 2.571 ( -3.506 -6.383 -2.482) 7.693 2.713 ( 2.473 -2.222 0.768) 3.412 2.939 ( -7.583 -4.248 2.898) 9.162 3.153 ( -2.748 -7.479 0.162) 7.970 3.406 ( -0.400 -14.717 -0.886) 14.749 3.803 ( -0.469 -8.118 -5.234) 9.670 4.059 ( 0.829 1.316 8.597) 8.736 4.313 ( -0.898 -2.544 -1.987) 3.350 4.870 ( 2.378 -7.261 -1.482) 7.783 4.948 ( -0.237 -3.745 1.530) 4.052 5.139 ( 3.197 -6.489 -0.055) 7.234 5.269 ( -2.631 -2.782 -0.868) 3.926 5.382 ( 0.404 6.923 -3.193) 7.634 5.453 ( 0.699 1.218 3.175) 3.472 5.561 ( 3.064 2.456 0.422) 3.950 5.741 ( -0.244 8.633 0.101) 8.637 11.636 ( 3.377 4.433 2.111) 5.959 12.245 ( -0.331 -8.373 -0.540) 8.396 12.575 ( 12.562 -17.020 -3.155) 21.388 14.328 ( -5.276 15.987 3.446) 17.184 17.394 ( -2.461 -5.730 -8.648) 10.662 19.125 ( -1.722 12.253 3.054) 12.745 ======================= Grid point 523 (251/324) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -2.356 -11.894 -1.802) 12.258 1.806 ( 1.939 -13.753 0.381) 13.895 2.101 ( 6.214 -6.246 4.633) 9.955 2.386 ( 9.185 1.790 -4.944) 10.584 2.549 ( 1.672 -2.756 -1.310) 3.480 2.714 ( 1.559 -9.077 -0.880) 9.252 2.792 ( -0.348 -4.153 7.980) 9.002 2.957 ( -3.376 -3.257 -1.531) 4.934 3.287 ( 1.306 -6.220 -3.231) 7.130 3.620 ( -2.985 -8.324 1.624) 8.991 3.917 ( -2.733 -6.487 -6.134) 9.337 4.073 ( -2.970 0.080 8.899) 9.381 4.339 ( -2.849 -1.743 0.394) 3.363 4.953 ( -0.933 -2.883 0.355) 3.051 5.035 ( 0.275 -4.096 -1.798) 4.482 5.223 ( 0.634 1.426 -0.001) 1.560 5.253 ( -0.020 3.843 -1.495) 4.123 5.279 ( 0.481 -4.160 -2.607) 4.933 5.438 ( 1.953 -0.072 -0.018) 1.955 5.603 ( 0.051 -0.695 3.411) 3.482 5.668 ( 5.139 0.667 -0.338) 5.193 11.574 ( 1.490 3.679 2.342) 4.609 12.227 ( -2.748 4.440 -2.823) 5.936 12.968 ( 12.889 -15.951 -6.072) 21.387 14.029 ( -4.369 14.650 2.315) 15.461 17.513 ( -1.868 -10.547 -2.344) 10.965 18.903 ( -0.118 12.780 2.807) 13.085 ======================= Grid point 524 (252/324) ======================= q-point: (-0.07 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.125 -7.621 -0.184) 7.624 2.077 ( 6.712 -11.644 1.760) 13.555 2.256 ( 4.682 -1.011 5.187) 7.060 2.388 ( 5.779 -2.987 -5.124) 8.281 2.577 ( 0.377 -2.329 -1.738) 2.930 2.861 ( 2.437 -5.372 -1.982) 6.223 2.897 ( -0.393 -2.331 9.135) 9.436 3.050 ( 1.007 -8.517 -3.598) 9.300 3.358 ( 1.986 -3.678 -6.285) 7.548 3.675 ( -3.071 1.589 2.732) 4.406 3.935 ( -3.287 -0.212 -1.908) 3.806 4.089 ( -6.961 -0.218 5.194) 8.688 4.360 ( -1.453 -1.596 0.842) 2.317 5.007 ( -0.688 -2.769 1.273) 3.124 5.061 ( -3.163 -2.765 -2.217) 4.750 5.181 ( -1.655 0.216 -2.324) 2.861 5.259 ( 2.296 -2.205 1.401) 3.478 5.352 ( 0.206 -3.943 -3.783) 5.468 5.478 ( 2.135 -2.121 0.390) 3.035 5.619 ( 3.787 0.272 0.087) 3.798 5.691 ( 2.904 1.349 2.958) 4.359 11.556 ( 0.096 -0.289 2.302) 2.322 12.081 ( -2.978 7.595 -3.295) 8.798 13.209 ( 7.787 -8.102 -8.627) 14.167 13.779 ( -0.851 12.180 3.130) 12.604 17.715 ( -1.288 -12.366 0.863) 12.462 18.684 ( 0.948 12.533 1.628) 12.674 ======================= Grid point 534 (253/324) ======================= q-point: (-0.36 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -11.463 0.000 -12.630) 17.056 1.401 ( -19.415 0.000 2.494) 19.575 1.904 ( 5.532 -0.000 -1.645) 5.772 2.068 ( -18.963 0.000 3.468) 19.277 2.194 ( 3.260 -0.000 -5.799) 6.652 2.247 ( 1.004 -0.000 -2.457) 2.654 2.406 ( 5.412 -0.000 3.158) 6.266 2.598 ( -7.684 0.000 1.526) 7.834 2.889 ( 3.519 -0.000 2.873) 4.543 3.423 ( 2.053 -0.000 0.497) 2.112 3.473 ( 6.562 -0.000 -12.082) 13.749 4.030 ( 12.118 -0.000 6.308) 13.662 4.291 ( 1.054 -0.000 -4.414) 4.539 4.493 ( 2.053 -0.000 -0.404) 2.093 4.659 ( -1.328 0.000 0.358) 1.376 4.829 ( -1.357 0.000 -0.236) 1.378 4.975 ( 2.037 -0.000 1.688) 2.645 5.493 ( -2.434 0.000 5.626) 6.130 5.546 ( -1.949 0.000 3.747) 4.224 5.914 ( 3.903 -0.000 -4.372) 5.861 6.446 ( -3.684 0.000 4.686) 5.961 10.470 ( 0.052 -0.000 -0.744) 0.745 12.026 ( -1.090 0.000 0.910) 1.420 12.322 ( 0.436 -0.000 0.661) 0.792 14.912 ( 0.420 -0.000 9.526) 9.536 17.557 ( 4.509 -0.000 -25.329) 25.727 19.541 ( -4.728 0.000 1.672) 5.015 ======================= Grid point 535 (254/324) ======================= q-point: (-0.29 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -12.325 -10.354 -6.807) 17.477 1.300 ( -22.214 -0.387 3.816) 22.542 1.935 ( 5.915 -1.328 -4.162) 7.354 2.063 ( -20.247 -11.283 5.999) 23.942 2.200 ( 4.566 -1.883 -2.001) 5.329 2.343 ( 4.298 -7.524 -8.179) 11.915 2.527 ( 0.926 -7.735 2.990) 8.345 2.596 ( -3.597 -3.331 0.563) 4.935 2.945 ( 3.806 -3.239 3.461) 6.079 3.317 ( 2.013 7.296 -5.009) 9.076 3.555 ( 2.940 -6.369 -4.072) 8.111 4.110 ( 10.946 1.623 6.935) 13.059 4.267 ( 0.146 0.388 -4.505) 4.524 4.575 ( 3.300 -6.752 -0.524) 7.533 4.728 ( -0.625 -6.957 0.502) 7.003 4.920 ( -0.535 -10.043 -1.208) 10.130 5.003 ( 2.686 -0.956 1.944) 3.451 5.486 ( -0.734 1.856 3.248) 3.812 5.537 ( -1.892 1.632 3.392) 4.213 5.858 ( 3.119 5.848 -4.500) 8.011 6.270 ( -4.533 16.730 4.491) 17.905 10.882 ( 8.916 -38.282 0.650) 39.312 11.989 ( -1.135 3.297 0.369) 3.506 12.353 ( 0.802 -2.609 -0.090) 2.731 14.874 ( 1.007 10.588 11.226) 15.464 17.387 ( -3.006 4.075 -25.671) 26.166 19.476 ( -4.562 5.632 4.320) 8.438 ======================= Grid point 536 (255/324) ======================= q-point: (-0.21 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -9.405 -15.339 -1.194) 18.032 1.281 ( -15.744 -9.399 2.326) 18.483 1.985 ( 4.826 -2.217 -1.170) 5.438 2.277 ( -4.816 -14.497 4.097) 15.816 2.288 ( 4.625 -5.538 -2.122) 7.521 2.435 ( -3.141 -5.691 -4.197) 7.738 2.659 ( 2.197 -5.330 -3.608) 6.801 2.721 ( -4.624 -10.822 4.262) 12.516 3.104 ( 3.931 -6.921 4.664) 9.225 3.191 ( -1.001 0.805 -4.535) 4.713 3.672 ( 2.818 -6.022 -3.147) 7.356 4.147 ( 4.654 2.677 8.009) 9.642 4.255 ( -0.311 -1.524 -4.088) 4.374 4.734 ( 3.654 -8.221 -1.092) 9.063 4.863 ( -1.029 -6.519 1.190) 6.706 5.053 ( 3.606 -4.402 -1.743) 5.951 5.136 ( 0.479 -10.056 1.023) 10.119 5.448 ( 1.382 2.922 -2.027) 3.816 5.504 ( -1.448 2.318 4.496) 5.261 5.705 ( 1.992 9.480 -3.755) 10.389 5.948 ( -4.070 14.999 2.762) 15.785 11.639 ( 15.182 -20.953 1.746) 25.934 11.970 ( 1.820 -9.976 -2.855) 10.535 12.420 ( 3.326 -4.831 -2.765) 6.484 14.630 ( -4.327 18.098 5.677) 19.455 17.251 ( -5.256 -2.765 -11.776) 13.189 19.333 ( -3.602 9.651 5.141) 11.512 ======================= Grid point 537 (256/324) ======================= q-point: (-0.14 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -4.796 -15.254 1.100) 16.028 1.502 ( -3.348 -17.834 0.290) 18.148 2.063 ( 3.569 -3.840 2.369) 5.753 2.392 ( 2.958 -3.898 -5.212) 7.149 2.460 ( 2.020 -4.445 -2.982) 5.721 2.571 ( 3.238 -11.342 3.113) 12.199 2.751 ( 3.883 -3.804 -0.129) 5.437 2.888 ( -6.504 -5.681 4.400) 9.691 3.116 ( -3.672 -4.983 -0.522) 6.212 3.404 ( 0.068 -14.299 0.898) 14.327 3.766 ( 2.188 -4.892 -5.526) 7.698 4.144 ( 0.034 3.001 9.024) 9.510 4.276 ( -2.792 -2.774 -1.711) 4.291 4.878 ( 1.526 -5.653 -1.435) 6.028 4.953 ( -1.053 -4.244 0.853) 4.455 5.166 ( 3.862 -6.014 -3.623) 8.013 5.244 ( -0.982 -0.865 0.723) 1.495 5.362 ( 0.697 5.932 -2.391) 6.434 5.483 ( 1.188 3.394 0.773) 3.678 5.587 ( 1.259 -0.266 0.527) 1.390 5.749 ( 0.366 6.435 1.349) 6.585 11.692 ( 2.515 6.251 2.211) 7.091 12.233 ( 0.793 -3.380 -2.083) 4.049 12.668 ( 15.673 -20.141 -10.986) 27.785 14.282 ( -7.856 16.322 1.042) 18.144 17.322 ( -1.726 -8.616 0.925) 8.836 19.141 ( -2.185 11.733 4.419) 12.726 ======================= Grid point 538 (257/324) ======================= q-point: (-0.07 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -1.146 -12.557 1.624) 12.713 1.841 ( 4.267 -17.638 0.073) 18.147 2.204 ( 3.845 -8.242 3.161) 9.629 2.388 ( 2.274 2.384 -3.730) 4.977 2.538 ( 1.195 -3.866 -5.015) 6.444 2.777 ( 6.396 -3.879 1.339) 7.599 2.866 ( 2.253 -8.331 5.735) 10.362 2.922 ( -1.464 -2.175 1.760) 3.158 3.247 ( -1.149 -7.892 -5.248) 9.547 3.614 ( -3.335 -7.523 4.198) 9.238 3.831 ( -2.358 -5.248 -6.656) 8.798 4.120 ( -3.028 3.185 8.516) 9.583 4.309 ( -3.692 -3.032 1.093) 4.901 4.945 ( -1.027 -3.208 -0.219) 3.375 5.014 ( -0.021 -1.786 -2.629) 3.178 5.201 ( -1.989 3.801 -2.078) 4.767 5.225 ( 0.408 -2.064 -4.816) 5.255 5.304 ( 3.809 -0.626 1.497) 4.140 5.458 ( 1.977 -0.790 -0.300) 2.151 5.636 ( 0.033 -0.845 3.704) 3.799 5.720 ( 4.239 -0.460 0.363) 4.280 11.607 ( 0.580 4.267 1.874) 4.696 12.175 ( -1.644 5.593 -3.157) 6.630 13.016 ( 12.398 -13.824 -13.877) 23.182 13.989 ( -5.620 11.867 0.436) 13.138 17.516 ( 0.481 -10.421 5.915) 11.992 18.926 ( -0.751 12.485 2.948) 12.850 ======================= Grid point 549 (258/324) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -15.750 0.000 -1.568) 15.828 1.211 ( -22.736 0.000 6.582) 23.669 1.780 ( -36.878 0.000 6.667) 37.476 1.927 ( 5.888 -0.000 -6.951) 9.110 2.157 ( 2.267 -0.000 -8.879) 9.164 2.299 ( 7.712 -0.000 -4.088) 8.729 2.500 ( 5.389 -0.000 4.366) 6.936 2.550 ( -1.757 0.000 0.022) 1.757 2.958 ( 4.568 -0.000 3.106) 5.524 3.424 ( 3.158 -0.000 -8.855) 9.401 3.453 ( 2.773 -0.000 0.248) 2.784 4.228 ( 13.015 -0.000 4.588) 13.800 4.255 ( -0.761 0.000 -2.998) 3.093 4.516 ( 2.709 -0.000 -0.291) 2.725 4.646 ( -1.609 0.000 0.287) 1.635 4.809 ( -2.016 0.000 -0.130) 2.020 5.017 ( 2.689 -0.000 1.568) 3.113 5.513 ( -1.157 0.000 2.837) 3.064 5.561 ( -0.772 0.000 2.944) 3.044 5.904 ( 2.442 -0.000 -5.840) 6.330 6.478 ( -0.625 0.000 7.341) 7.368 10.470 ( 0.041 -0.000 0.772) 0.773 12.018 ( -1.352 0.000 -0.022) 1.352 12.331 ( 0.606 -0.000 -0.110) 0.616 15.074 ( 7.299 -0.000 15.316) 16.966 17.269 ( -7.558 0.000 -30.021) 30.958 19.526 ( -5.376 0.000 6.600) 8.513 ======================= Grid point 550 (259/324) ======================= q-point: (-0.21 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -12.638 -12.727 4.660) 18.531 1.095 ( -23.978 -0.757 6.762) 24.924 1.845 ( -28.253 -21.183 7.798) 36.163 1.941 ( 4.315 -2.224 -6.858) 8.403 2.210 ( 2.560 -7.225 -5.954) 9.706 2.312 ( 1.449 -1.219 -4.217) 4.623 2.574 ( 2.994 -2.876 -3.329) 5.321 2.602 ( 3.327 -5.365 4.719) 7.882 3.027 ( 6.029 -3.433 2.967) 7.546 3.298 ( 1.636 7.652 -2.835) 8.323 3.563 ( 3.307 -6.408 -1.880) 7.452 4.216 ( -2.107 0.456 -4.582) 5.064 4.280 ( 9.025 3.537 5.786) 11.289 4.609 ( 3.790 -6.937 -0.452) 7.918 4.727 ( -0.308 -7.527 0.279) 7.539 4.900 ( -0.313 -10.161 -2.133) 10.387 5.051 ( 2.601 -1.805 1.859) 3.672 5.498 ( 0.716 2.069 -0.476) 2.240 5.553 ( -1.084 1.736 3.817) 4.331 5.834 ( 1.327 5.524 -6.154) 8.375 6.273 ( -4.162 20.008 5.499) 21.163 11.010 ( 15.506 -46.454 -2.443) 49.034 11.972 ( -1.606 3.603 -0.731) 4.012 12.357 ( 0.925 -2.498 -1.235) 2.936 14.990 ( 1.029 17.951 4.889) 18.633 17.125 ( -6.825 -1.846 -9.056) 11.489 19.477 ( -5.476 5.494 7.052) 10.484 ======================= Grid point 551 (260/324) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -7.223 -16.555 5.600) 18.911 1.161 ( -11.568 -15.013 4.509) 19.482 1.985 ( -0.170 -5.135 -5.142) 7.269 2.217 ( -11.931 -22.847 5.663) 26.390 2.321 ( 2.293 -4.084 1.176) 4.829 2.373 ( -1.282 -8.493 -3.625) 9.323 2.642 ( 3.057 -5.433 -5.829) 8.535 2.760 ( 2.227 -7.080 5.026) 8.964 3.145 ( 0.190 2.738 -4.136) 4.964 3.200 ( 5.135 -5.248 5.376) 9.100 3.682 ( 3.762 -4.999 -3.038) 6.955 4.189 ( -4.046 -1.353 -1.896) 4.668 4.272 ( 4.455 3.861 5.095) 7.792 4.761 ( 3.006 -7.338 -1.349) 8.043 4.859 ( -1.680 -6.111 1.014) 6.419 5.056 ( 3.294 -6.509 -5.197) 8.957 5.169 ( 1.439 -7.602 2.754) 8.212 5.442 ( 2.253 3.876 -2.880) 5.328 5.536 ( -0.335 1.282 4.008) 4.221 5.674 ( 0.422 8.581 -5.793) 10.361 5.931 ( -4.964 14.028 3.473) 15.280 11.805 ( 10.526 -4.564 0.672) 11.493 11.967 ( 9.632 -23.483 -9.420) 27.073 12.420 ( 4.216 -6.220 -6.886) 10.193 14.567 ( -11.422 20.948 -3.813) 24.163 17.209 ( 2.347 -5.969 12.218) 13.799 19.339 ( -4.813 9.272 5.761) 11.930 ======================= Grid point 552 (261/324) ======================= q-point: (-0.07 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -2.137 -16.219 5.437) 17.239 1.495 ( 0.488 -21.132 1.681) 21.204 2.074 ( -1.168 -6.982 -2.315) 7.448 2.375 ( 0.430 -4.992 -2.791) 5.736 2.440 ( 1.061 -3.358 -3.871) 5.233 2.650 ( 3.240 -15.254 6.578) 16.925 2.769 ( 1.267 -8.794 -3.042) 9.391 2.897 ( -1.633 -3.330 6.374) 7.374 3.072 ( -2.324 -1.880 -1.226) 3.231 3.425 ( 1.262 -11.903 1.991) 12.134 3.740 ( 2.614 -1.792 -6.397) 7.139 4.213 ( -3.721 -2.761 3.850) 6.024 4.233 ( -0.615 3.347 3.545) 4.914 4.873 ( 0.172 -4.225 -1.913) 4.641 4.944 ( -1.126 -4.561 0.240) 4.704 5.150 ( 2.456 -4.228 -6.643) 8.248 5.248 ( -0.846 1.231 0.351) 1.535 5.367 ( 2.918 4.107 -0.125) 5.040 5.491 ( 1.115 4.414 -1.529) 4.802 5.606 ( 0.242 -3.497 2.255) 4.168 5.764 ( 0.131 4.250 1.070) 4.384 11.719 ( 0.033 6.688 0.378) 6.699 12.231 ( 1.978 0.757 -1.722) 2.729 12.697 ( 15.150 -20.728 -20.632) 32.938 14.167 ( -11.223 13.438 -2.946) 17.754 17.418 ( 5.456 -6.471 16.556) 18.594 19.149 ( -3.448 11.156 3.847) 12.294 ======================= Grid point 564 (262/324) ======================= q-point: (-0.21 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -13.735 0.000 13.705) 19.403 1.040 ( -23.617 0.000 11.734) 26.371 1.445 ( -37.826 0.000 11.197) 39.449 1.916 ( 5.429 -0.000 -7.934) 9.614 2.087 ( 2.064 -0.000 -11.457) 11.642 2.306 ( -0.744 0.000 -1.713) 1.868 2.549 ( 3.713 -0.000 -3.821) 5.328 2.597 ( 4.332 -0.000 5.167) 6.743 3.051 ( 7.637 -0.000 2.775) 8.126 3.399 ( 2.349 -0.000 -2.698) 3.577 3.485 ( 2.855 -0.000 -0.123) 2.857 4.186 ( -2.820 0.000 -6.021) 6.648 4.404 ( 9.373 -0.000 4.791) 10.527 4.546 ( 2.999 -0.000 -0.217) 3.007 4.631 ( -1.478 0.000 0.204) 1.492 4.783 ( -2.546 0.000 -0.011) 2.546 5.054 ( 1.808 -0.000 0.635) 1.916 5.517 ( -0.773 0.000 0.307) 0.831 5.586 ( 1.318 -0.000 1.938) 2.343 5.860 ( 0.039 -0.000 -6.546) 6.546 6.539 ( 1.800 -0.000 1.611) 2.416 10.486 ( 0.205 -0.000 2.404) 2.413 11.996 ( -1.738 0.000 -0.743) 1.890 12.332 ( 0.462 -0.000 -1.063) 1.159 15.188 ( -1.229 0.000 -14.350) 14.402 17.099 ( 5.342 -0.000 19.032) 19.768 19.531 ( -6.635 0.000 8.005) 10.397 ======================= Grid point 565 (263/324) ======================= q-point: (-0.14 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -9.350 -12.683 13.148) 20.522 0.927 ( -21.159 -2.949 12.748) 24.878 1.635 ( -25.262 -26.087 12.049) 38.261 1.920 ( 3.122 -2.700 -6.304) 7.535 2.157 ( 1.844 -10.256 -9.862) 14.347 2.297 ( -1.096 -0.744 0.575) 1.444 2.571 ( 4.328 -2.130 -5.505) 7.319 2.690 ( 3.685 -4.657 5.199) 7.893 3.121 ( 7.960 -1.731 0.403) 8.156 3.312 ( 1.564 6.692 2.241) 7.229 3.587 ( 3.383 -6.229 -1.074) 7.169 4.135 ( -4.379 0.010 -5.493) 7.025 4.404 ( 5.614 4.635 4.016) 8.315 4.643 ( 3.083 -6.481 -0.688) 7.209 4.728 ( 0.179 -7.647 0.068) 7.650 4.877 ( 0.480 -10.753 -3.120) 11.207 5.084 ( 1.052 -2.811 0.803) 3.107 5.496 ( 0.212 1.787 -1.431) 2.300 5.582 ( 1.587 1.990 1.845) 3.144 5.779 ( -0.721 5.223 -6.257) 8.182 6.250 ( -7.390 22.209 1.599) 23.461 11.141 ( 18.415 -52.711 -11.675) 57.042 11.946 ( -1.672 3.930 -0.920) 4.369 12.348 ( 0.459 -1.985 -2.583) 3.290 14.826 ( -18.924 18.584 -20.324) 33.415 17.332 ( 23.858 2.088 40.284) 46.865 19.473 ( -7.229 5.625 6.893) 11.463 ======================= Grid point 566 (264/324) ======================= q-point: (-0.07 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -2.666 -17.508 9.891) 20.285 1.126 ( -5.655 -18.418 8.802) 21.182 1.910 ( -2.927 -8.372 -5.607) 10.493 2.143 ( -10.593 -21.071 4.910) 24.090 2.313 ( 0.523 -8.397 -5.956) 10.309 2.385 ( -0.852 -10.643 7.252) 12.907 2.624 ( 4.537 -4.500 -7.008) 9.485 2.832 ( 1.763 -5.984 5.337) 8.210 3.127 ( 2.994 4.990 -3.099) 6.593 3.301 ( 4.220 -3.866 4.971) 7.581 3.694 ( 4.064 -3.438 -3.901) 6.600 4.109 ( -6.216 -3.017 -2.714) 7.424 4.361 ( 3.253 4.880 5.004) 7.709 4.771 ( 1.685 -6.237 -2.155) 6.810 4.846 ( -2.316 -5.538 1.056) 6.096 5.038 ( 3.275 -6.532 -6.459) 9.752 5.201 ( 0.793 -6.877 1.633) 7.113 5.448 ( 2.556 2.921 -2.091) 4.409 5.566 ( 0.629 0.412 1.956) 2.096 5.617 ( -0.838 8.225 -5.706) 10.045 5.897 ( -6.261 11.508 2.889) 13.416 11.835 ( -1.770 6.202 -1.365) 6.593 12.021 ( 19.327 -34.014 -18.398) 43.232 12.373 ( 1.089 -4.194 -9.848) 10.759 14.329 ( -18.143 14.991 -8.238) 24.935 17.561 ( 20.154 4.606 35.124) 40.756 19.325 ( -6.615 8.815 4.490) 11.900 ======================= Grid point 579 (265/324) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -12.422 0.000 16.374) 20.553 0.926 ( -20.981 0.000 17.272) 27.176 1.236 ( -26.410 0.000 24.137) 35.778 1.913 ( 6.303 -0.000 -7.848) 10.066 1.998 ( 2.641 -0.000 -13.619) 13.873 2.288 ( -0.569 0.000 2.403) 2.470 2.554 ( 4.980 -0.000 -5.348) 7.308 2.684 ( 2.671 -0.000 5.550) 6.159 3.160 ( 8.641 -0.000 0.986) 8.697 3.425 ( 1.501 -0.000 3.222) 3.554 3.511 ( 2.366 -0.000 -0.509) 2.420 4.083 ( -5.248 0.000 -6.796) 8.586 4.512 ( 5.132 -0.000 1.701) 5.407 4.572 ( 1.893 -0.000 -0.262) 1.911 4.623 ( 0.094 -0.000 0.186) 0.208 4.754 ( -2.885 0.000 0.106) 2.887 5.065 ( 0.002 -0.000 -0.272) 0.272 5.498 ( -2.078 0.000 -1.290) 2.446 5.624 ( 4.167 -0.000 -0.382) 4.184 5.794 ( -1.901 0.000 -5.288) 5.619 6.480 ( -7.903 0.000 -8.754) 11.793 10.517 ( 0.430 -0.000 3.776) 3.800 11.968 ( -1.840 0.000 -1.493) 2.370 12.321 ( 0.103 -0.000 -1.965) 1.968 14.750 ( -29.000 0.000 -27.578) 40.020 17.876 ( 61.953 -0.000 53.800) 82.053 19.520 ( -8.298 0.000 7.321) 11.066 ======================= Grid point 580 (266/324) ======================= q-point: (-0.07 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -8.793 -13.922 11.728) 20.216 0.926 ( -8.920 -6.515 21.877) 24.508 1.544 ( -16.045 -24.724 17.881) 34.474 1.885 ( 1.427 -2.060 -7.868) 8.257 2.082 ( 2.569 -11.031 -11.773) 16.336 2.318 ( 1.533 -1.357 4.310) 4.772 2.569 ( 5.035 -1.448 -6.261) 8.164 2.769 ( 1.907 -4.405 5.198) 7.075 3.205 ( 8.163 0.920 -0.658) 8.241 3.358 ( -0.022 5.145 4.718) 6.981 3.616 ( 3.279 -6.045 -0.563) 6.900 4.023 ( -6.382 -0.543 -6.039) 8.804 4.478 ( 3.370 4.048 1.901) 5.599 4.657 ( 1.186 -5.802 -1.491) 6.107 4.729 ( -0.103 -6.510 0.003) 6.510 4.857 ( 1.935 -11.844 -3.966) 12.639 5.089 ( -0.575 -3.833 0.079) 3.876 5.469 ( -2.146 0.852 -2.518) 3.417 5.616 ( 3.644 2.654 -1.641) 4.797 5.716 ( -1.948 4.877 -3.516) 6.320 6.144 ( -12.044 18.325 0.480) 21.934 11.162 ( 10.388 -51.828 -17.978) 55.832 11.913 ( -2.075 3.696 -2.611) 4.979 12.322 ( -0.296 -0.906 -2.864) 3.018 14.403 ( -23.275 9.236 -11.186) 27.425 18.200 ( 52.163 22.424 43.875) 71.756 19.439 ( -9.556 6.046 5.447) 12.552 ======================= Grid point 594 (267/324) ======================= q-point: (-0.07 -0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -10.473 0.000 16.703) 19.715 0.908 ( -14.364 0.000 21.011) 25.452 1.323 ( -7.594 0.000 31.479) 32.382 1.870 ( 1.771 -0.000 -11.923) 12.054 1.901 ( 3.949 -0.000 -15.297) 15.798 2.369 ( 8.403 -0.000 3.257) 9.012 2.559 ( 5.116 -0.000 -6.064) 7.934 2.752 ( 0.537 -0.000 5.420) 5.447 3.254 ( 7.615 -0.000 1.182) 7.706 3.476 ( -0.730 0.000 6.473) 6.514 3.526 ( 1.464 -0.000 -0.779) 1.658 3.957 ( -5.488 0.000 -7.846) 9.574 4.550 ( 2.085 -0.000 -1.422) 2.524 4.577 ( -0.207 0.000 -0.266) 0.338 4.641 ( 2.480 -0.000 0.096) 2.482 4.724 ( -2.779 0.000 0.208) 2.787 5.054 ( -1.723 0.000 0.169) 1.731 5.449 ( -3.100 0.000 -2.667) 4.090 5.649 ( 2.730 -0.000 -4.082) 4.911 5.739 ( -1.926 0.000 -0.913) 2.132 6.275 ( -14.511 0.000 -3.445) 14.914 10.561 ( 0.507 -0.000 4.428) 4.456 11.921 ( -2.811 0.000 -3.332) 4.359 12.299 ( -0.253 0.000 -2.474) 2.487 14.328 ( -18.220 0.000 -4.839) 18.852 18.982 ( 66.087 -0.000 18.172) 68.540 19.488 ( -8.053 0.000 6.796) 10.537 ======================= Grid point 595 (268/324) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.000 0.000 -0.000) 0.000 1.369 ( 0.000 -0.000 -0.000) 0.000 1.486 ( -0.000 0.000 0.000) 0.000 1.524 ( 0.000 -0.000 0.000) 0.000 1.982 ( 0.000 -0.000 -0.000) 0.000 2.325 ( -0.000 0.000 0.000) 0.000 2.500 ( -0.000 0.000 0.000) 0.000 2.843 ( 0.000 -0.000 0.000) 0.000 3.359 ( 0.000 -0.000 0.000) 0.000 3.518 ( -0.000 0.000 0.000) 0.000 3.662 ( 0.000 -0.000 0.000) 0.000 3.701 ( -0.000 0.000 -0.000) 0.000 4.480 ( 0.000 -0.000 0.000) 0.000 4.569 ( 0.000 -0.000 0.000) 0.000 4.660 ( -0.000 0.000 0.000) 0.000 4.710 ( 0.000 -0.000 0.000) 0.000 5.062 ( -0.000 0.000 0.000) 0.000 5.385 ( -0.000 0.000 0.000) 0.000 5.567 ( 0.000 -0.000 0.000) 0.000 5.740 ( -0.000 0.000 0.000) 0.000 6.200 ( -0.000 0.000 0.000) 0.000 10.652 ( 0.000 -0.000 0.000) 0.000 11.827 ( -0.000 0.000 0.000) 0.000 12.246 ( -0.000 0.000 0.000) 0.000 14.263 ( -0.000 0.000 0.000) 0.000 19.365 ( -0.000 0.000 0.000) 0.000 19.621 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 597 (269/324) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 2.925 -11.046 -7.345) 13.584 1.455 ( 5.457 -8.874 -4.220) 11.240 1.541 ( -2.857 -5.739 -7.343) 9.748 1.665 ( -1.909 -11.565 15.120) 19.131 2.033 ( 5.911 -5.974 -5.419) 10.000 2.396 ( -1.458 -8.613 1.044) 8.797 2.472 ( -1.074 2.131 0.180) 2.393 2.874 ( -1.416 -3.733 -0.298) 4.004 3.333 ( -9.207 1.301 -1.199) 9.375 3.431 ( 4.310 5.522 -1.550) 7.174 3.628 ( -2.839 1.122 -0.234) 3.062 3.830 ( 5.235 -7.350 2.643) 9.403 4.476 ( -0.393 0.465 0.747) 0.964 4.625 ( -0.381 -4.908 0.144) 4.925 4.724 ( -0.422 -6.583 0.358) 6.606 4.811 ( 0.421 -8.187 -0.048) 8.198 5.080 ( -0.356 -3.797 0.471) 3.843 5.375 ( 2.254 1.958 0.626) 3.051 5.540 ( -1.557 2.656 1.283) 3.336 5.707 ( -0.643 3.218 -0.029) 3.281 6.093 ( 3.057 10.698 -0.251) 11.129 10.949 ( -0.820 -28.647 1.484) 28.697 11.803 ( 1.525 3.178 1.122) 3.699 12.260 ( 0.065 -1.108 0.616) 1.269 14.223 ( 3.226 5.006 -0.533) 5.980 19.214 ( -26.926 13.429 -2.371) 30.183 19.448 ( 16.876 14.348 -3.682) 22.455 ======================= Grid point 598 (270/324) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -0.119 -18.520 -8.564) 20.404 1.583 ( -1.826 -7.132 -17.774) 19.238 1.685 ( 4.064 -12.051 4.810) 13.597 1.957 ( 1.633 -10.635 15.976) 19.262 2.215 ( 3.521 -11.958 -3.597) 12.974 2.433 ( -0.730 1.242 3.864) 4.124 2.664 ( 2.555 -20.219 -3.917) 20.753 2.949 ( -3.914 -5.573 0.110) 6.811 3.185 ( -6.861 6.688 -2.643) 9.940 3.421 ( 0.838 -1.673 -2.456) 3.087 3.593 ( 0.312 1.803 2.434) 3.045 4.014 ( 3.091 -8.842 1.352) 9.463 4.462 ( -1.017 0.896 -0.472) 1.435 4.714 ( -1.103 -4.478 0.592) 4.650 4.865 ( 2.428 -7.013 -1.361) 7.546 4.891 ( -2.037 -1.428 3.932) 4.653 5.239 ( -2.093 -8.505 -0.832) 8.798 5.357 ( 3.608 0.072 2.959) 4.667 5.479 ( -1.893 2.925 1.408) 3.758 5.635 ( -0.871 2.827 -0.547) 3.008 5.914 ( 3.392 9.168 -1.257) 9.856 11.530 ( -2.168 -26.375 10.133) 28.338 11.760 ( 1.840 -0.293 0.884) 2.062 12.275 ( -0.067 0.389 0.375) 0.545 14.123 ( 4.882 7.623 -0.480) 9.065 18.663 ( -22.273 21.517 -13.365) 33.730 19.310 ( 10.914 10.303 -0.334) 15.012 ======================= Grid point 599 (271/324) ======================= q-point: ( 0.21 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -4.215 -20.593 -6.797) 22.092 1.640 ( -0.980 -8.220 -12.917) 15.342 1.958 ( 3.781 -12.470 2.447) 13.259 2.196 ( 3.386 -8.148 10.873) 14.003 2.336 ( -1.067 -0.545 0.889) 1.492 2.563 ( 0.872 -12.168 6.540) 13.842 2.955 ( -12.554 -1.428 -0.836) 12.662 3.072 ( 6.486 -12.261 -3.622) 14.336 3.079 ( 2.235 -5.569 -7.113) 9.307 3.422 ( -4.983 -0.360 4.212) 6.535 3.629 ( 4.026 -3.944 -0.500) 5.658 4.181 ( 2.077 -6.885 0.054) 7.191 4.421 ( -0.694 1.827 -4.091) 4.534 4.771 ( 1.187 -1.200 3.315) 3.720 4.913 ( -3.116 -2.271 2.932) 4.844 5.003 ( 3.369 -4.829 0.999) 5.973 5.219 ( 1.096 4.878 0.391) 5.015 5.406 ( -3.676 -0.231 0.575) 3.728 5.457 ( -0.448 0.309 0.430) 0.694 5.675 ( -0.546 -7.824 -0.679) 7.872 5.791 ( 1.003 5.156 -1.148) 5.377 11.632 ( 2.998 5.235 4.261) 7.386 12.138 ( -4.081 -23.933 13.406) 27.734 12.231 ( -0.448 4.261 -0.624) 4.329 14.009 ( 4.498 7.293 0.103) 8.569 18.190 ( -14.245 10.897 -16.174) 24.150 19.159 ( 6.425 11.324 0.060) 13.020 ======================= Grid point 600 (272/324) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -1.251 -9.258 -9.606) 13.400 1.926 ( -5.089 -17.019 -2.713) 17.969 2.168 ( 1.405 -7.506 1.559) 7.794 2.336 ( -0.142 -0.586 5.032) 5.068 2.408 ( -0.110 -8.326 5.009) 9.717 2.809 ( -0.029 -10.117 6.216) 11.874 2.875 ( -4.032 0.768 -1.771) 4.470 3.113 ( -3.000 -2.610 -2.869) 4.903 3.206 ( -1.806 -0.545 -6.268) 6.546 3.566 ( 1.724 -10.812 7.819) 13.454 3.732 ( 2.807 -5.406 -3.014) 6.796 4.252 ( 3.681 1.255 -2.562) 4.657 4.382 ( 0.987 -0.915 -5.122) 5.296 4.829 ( 2.420 -2.552 5.545) 6.567 4.952 ( -1.359 -2.386 1.127) 2.968 5.095 ( 3.804 -2.443 1.015) 4.634 5.155 ( 0.422 1.695 0.798) 1.920 5.383 ( -3.377 0.186 -0.717) 3.457 5.467 ( -1.574 -2.026 0.302) 2.583 5.713 ( -2.147 2.924 -0.333) 3.643 5.794 ( -1.463 -4.961 -1.744) 5.458 11.582 ( 3.067 3.099 2.650) 5.102 12.116 ( 0.178 7.150 -0.888) 7.207 12.556 ( -4.136 -16.830 16.181) 23.710 13.904 ( 2.536 6.685 0.661) 7.181 17.962 ( -7.819 0.751 -13.553) 15.665 18.964 ( 3.019 12.706 -0.335) 13.064 ======================= Grid point 601 (273/324) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -1.126 -8.394 -6.851) 10.893 2.088 ( -0.801 -2.300 0.223) 2.446 2.307 ( -4.516 -8.449 4.155) 10.442 2.398 ( -2.131 -3.832 1.577) 4.660 2.529 ( -3.022 -5.399 2.191) 6.563 2.877 ( -0.719 -1.037 -2.581) 2.873 2.972 ( -0.434 -4.356 3.999) 5.929 3.094 ( -1.244 0.509 3.555) 3.801 3.229 ( -2.957 -7.936 -6.893) 10.920 3.696 ( -2.918 0.657 7.252) 7.845 3.839 ( 5.107 -4.230 -4.178) 7.837 4.195 ( 7.179 4.383 -4.864) 9.716 4.390 ( 0.786 -0.240 -1.757) 1.940 4.960 ( 4.261 -7.510 2.030) 8.870 5.009 ( 0.688 -4.165 0.936) 4.323 5.103 ( 1.095 1.180 0.268) 1.632 5.216 ( 1.555 -4.556 2.314) 5.341 5.362 ( -3.096 -0.076 -1.131) 3.297 5.500 ( -1.540 -2.061 0.214) 2.582 5.650 ( -4.994 2.224 0.756) 5.519 5.816 ( -1.301 0.373 -2.634) 2.961 11.584 ( 2.341 -0.888 0.695) 2.599 11.982 ( 1.058 7.445 0.235) 7.524 12.866 ( -2.529 -11.765 14.202) 18.615 13.788 ( 0.160 7.234 0.655) 7.265 17.929 ( -3.422 -5.586 -9.330) 11.400 18.728 ( 0.326 13.665 -0.598) 13.682 ======================= Grid point 602 (274/324) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -1.490 -5.733 -5.792) 8.285 2.081 ( 1.634 2.329 2.874) 4.044 2.357 ( -2.063 1.584 2.380) 3.525 2.503 ( -6.011 -9.125 -0.337) 10.932 2.645 ( -2.500 -6.280 3.731) 7.720 2.807 ( -0.742 5.996 -0.854) 6.102 3.009 ( -0.707 -0.213 -0.111) 0.746 3.179 ( 2.230 -6.649 0.038) 7.013 3.371 ( -1.794 -9.137 -1.843) 9.492 3.647 ( -2.648 4.254 3.576) 6.156 3.836 ( 1.539 4.316 -1.328) 4.771 4.157 ( 7.581 2.155 -3.908) 8.797 4.385 ( 0.044 0.348 -0.249) 0.431 5.086 ( 1.097 -2.802 -1.563) 3.391 5.100 ( 2.501 -1.545 0.689) 3.020 5.163 ( 1.872 -8.793 2.057) 9.222 5.314 ( 1.944 -3.388 1.377) 4.142 5.338 ( -2.024 0.064 -0.296) 2.047 5.524 ( -0.924 -1.172 0.132) 1.498 5.577 ( -5.575 3.270 1.136) 6.563 5.759 ( -1.022 3.101 -2.539) 4.136 11.644 ( 1.035 -4.576 -1.092) 4.817 11.860 ( 1.338 7.092 1.467) 7.365 13.093 ( -0.668 -7.978 8.949) 12.008 13.653 ( -1.095 6.785 -0.190) 6.875 18.028 ( -0.467 -9.567 -5.160) 10.880 18.471 ( -1.211 13.596 -0.039) 13.649 ======================= Grid point 603 (275/324) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -0.000 -0.000 -0.000) 0.000 2.071 ( -0.000 0.000 0.000) 0.000 2.336 ( -0.000 0.000 0.000) 0.000 2.596 ( -0.000 -0.000 0.000) 0.000 2.706 ( 0.000 0.000 -0.000) 0.000 2.723 ( -0.000 0.000 0.000) 0.000 3.004 ( -0.000 0.000 0.000) 0.000 3.272 ( -0.000 0.000 0.000) 0.000 3.452 ( -0.000 0.000 0.000) 0.000 3.603 ( -0.000 0.000 0.000) 0.000 3.771 ( -0.000 0.000 0.000) 0.000 4.150 ( -0.000 0.000 0.000) 0.000 4.380 ( -0.000 0.000 0.000) 0.000 5.090 ( -0.000 0.000 0.000) 0.000 5.156 ( 0.000 -0.000 0.000) 0.000 5.259 ( -0.000 0.000 0.000) 0.000 5.322 ( -0.000 0.000 0.000) 0.000 5.395 ( -0.000 0.000 0.000) 0.000 5.500 ( -0.000 0.000 0.000) 0.000 5.534 ( -0.000 0.000 0.000) 0.000 5.712 ( -0.000 0.000 0.000) 0.000 11.732 ( -0.000 -0.000 -0.000) 0.000 11.758 ( -0.000 0.000 0.000) 0.000 13.199 ( -0.000 0.000 0.000) 0.000 13.571 ( -0.000 0.000 0.000) 0.000 18.188 ( 0.000 -0.000 -0.000) 0.000 18.257 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 612 (276/324) ======================= q-point: ( 0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 10.424 -0.000 -13.259) 16.866 1.332 ( 10.742 -0.000 -17.522) 20.553 1.527 ( -5.676 0.000 7.509) 9.413 1.560 ( -2.402 0.000 15.691) 15.874 1.976 ( 11.936 -0.000 -15.694) 19.717 2.323 ( -4.760 0.000 5.288) 7.115 2.486 ( -2.625 0.000 0.425) 2.659 2.822 ( -2.968 0.000 -1.009) 3.135 3.287 ( -9.527 0.000 -2.167) 9.770 3.514 ( -0.931 0.000 0.193) 0.951 3.567 ( -5.066 0.000 -3.367) 6.083 3.839 ( 10.047 -0.000 5.112) 11.273 4.486 ( -0.701 0.000 1.978) 2.099 4.572 ( 0.093 -0.000 0.181) 0.203 4.643 ( -2.255 0.000 -0.073) 2.256 4.729 ( 2.785 -0.000 -0.177) 2.790 5.058 ( -1.031 0.000 0.631) 1.209 5.413 ( 4.186 -0.000 0.764) 4.255 5.562 ( -3.228 0.000 2.871) 4.320 5.735 ( -0.869 0.000 0.163) 0.884 6.241 ( 6.276 -0.000 1.160) 6.382 10.639 ( -0.552 0.000 -2.175) 2.244 11.855 ( 2.897 -0.000 2.354) 3.733 12.253 ( 0.138 -0.000 1.396) 1.403 14.299 ( 7.396 -0.000 -0.202) 7.399 19.165 ( -33.117 0.000 -3.114) 33.263 19.644 ( 9.621 -0.000 -7.644) 12.288 ======================= Grid point 613 (277/324) ======================= q-point: ( 0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 9.583 -8.428 -14.573) 19.371 1.382 ( 6.014 -5.652 -19.970) 21.608 1.569 ( 1.066 -5.691 9.413) 11.051 1.775 ( -2.227 -13.693 14.226) 19.871 2.057 ( 13.316 -8.345 -12.800) 20.269 2.382 ( -2.227 -8.082 -0.003) 8.383 2.461 ( -2.420 0.994 2.148) 3.385 2.835 ( -4.657 -3.849 -0.982) 6.121 3.202 ( -11.390 2.178 -0.955) 11.636 3.435 ( 0.474 3.538 -3.225) 4.811 3.591 ( -4.064 -2.521 0.876) 4.862 3.939 ( 7.708 -3.213 3.782) 9.168 4.475 ( -1.552 1.215 0.950) 2.188 4.621 ( -1.141 -4.495 0.897) 4.724 4.722 ( -0.798 -8.148 0.729) 8.220 4.819 ( 1.009 -6.702 0.101) 6.778 5.082 ( -0.483 -4.091 1.000) 4.239 5.425 ( 3.948 1.823 1.583) 4.627 5.534 ( -3.238 2.579 3.833) 5.642 5.697 ( -0.805 3.507 -0.137) 3.601 6.149 ( 7.174 12.466 0.109) 14.384 10.955 ( -2.895 -31.429 4.099) 31.827 11.851 ( 3.655 3.550 2.651) 5.744 12.272 ( 0.101 -0.833 1.652) 1.853 14.295 ( 10.281 5.964 1.272) 11.953 18.783 ( -38.091 14.964 -15.010) 43.591 19.558 ( 11.914 9.637 -5.443) 16.262 ======================= Grid point 614 (278/324) ======================= q-point: ( 0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 3.428 -16.317 -10.930) 19.936 1.428 ( 2.541 -7.504 -16.326) 18.147 1.778 ( 4.066 -10.559 5.245) 12.471 2.099 ( 0.269 -12.953 13.201) 18.496 2.231 ( 5.840 -7.611 -3.859) 10.340 2.470 ( -0.394 -2.198 5.459) 5.899 2.633 ( 1.614 -19.327 -9.408) 21.556 2.890 ( -6.127 -5.932 0.167) 8.530 3.101 ( -4.899 2.529 -0.675) 5.555 3.383 ( -2.683 0.068 -3.577) 4.472 3.617 ( -0.226 -1.290 2.304) 2.650 4.071 ( 4.162 -6.042 2.196) 7.658 4.435 ( -1.822 1.887 -2.214) 3.433 4.714 ( -1.376 -5.354 2.142) 5.929 4.874 ( 1.763 -5.469 -1.491) 5.937 4.912 ( -2.087 -4.666 5.250) 7.327 5.221 ( -0.503 -7.569 -0.399) 7.596 5.403 ( -1.175 2.115 2.240) 3.297 5.484 ( -0.639 2.968 4.347) 5.302 5.621 ( 0.040 2.707 -1.437) 3.065 5.947 ( 5.070 11.327 -1.740) 12.531 11.604 ( -7.260 -31.772 15.739) 36.192 11.801 ( 3.569 3.080 1.494) 4.945 12.281 ( 0.004 1.115 1.262) 1.684 14.211 ( 10.182 9.765 2.630) 14.351 18.222 ( -26.092 13.570 -23.536) 37.668 19.407 ( 9.143 11.221 -2.736) 14.730 ======================= Grid point 615 (279/324) ======================= q-point: ( 0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -1.807 -14.529 -11.083) 18.362 1.581 ( 1.856 -14.419 -5.959) 15.712 2.020 ( 3.847 -10.741 1.972) 11.578 2.298 ( 1.661 -5.215 5.323) 7.634 2.351 ( -0.934 -2.902 4.523) 5.454 2.628 ( -0.697 -11.172 6.599) 12.994 2.795 ( -11.710 -5.287 -3.672) 13.363 3.026 ( -0.809 -5.190 -5.913) 7.909 3.118 ( 8.103 -6.189 -4.284) 11.059 3.402 ( -5.343 -7.728 4.229) 10.303 3.668 ( 3.505 -2.762 -0.167) 4.466 4.210 ( 2.452 -5.761 0.744) 6.305 4.372 ( -0.083 2.024 -5.648) 6.000 4.815 ( 0.688 -4.317 3.286) 5.468 4.914 ( -1.890 -0.944 3.553) 4.133 5.043 ( 1.357 -5.658 1.973) 6.144 5.241 ( 2.178 4.222 0.642) 4.794 5.364 ( -4.682 0.716 0.413) 4.755 5.455 ( -1.178 1.537 1.134) 2.244 5.657 ( -0.928 -6.680 -1.510) 6.911 5.791 ( 1.022 6.889 -1.490) 7.122 11.697 ( 2.537 5.848 2.723) 6.931 12.190 ( -6.331 -14.327 7.509) 17.370 12.255 ( -1.791 -6.609 10.960) 12.924 14.088 ( 7.600 10.036 3.061) 12.956 17.863 ( -13.373 2.954 -20.649) 24.778 19.216 ( 5.301 12.732 -1.977) 13.932 ======================= Grid point 616 (280/324) ======================= q-point: ( 0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -0.789 -10.935 -7.672) 13.381 1.858 ( -3.629 -16.161 -1.558) 16.636 2.198 ( 1.512 -6.146 1.287) 6.459 2.373 ( -1.793 -0.037 3.581) 4.005 2.425 ( -2.463 -5.657 3.004) 6.862 2.799 ( -5.765 -4.783 -1.897) 7.728 2.856 ( -1.465 -8.796 3.870) 9.721 3.058 ( -1.535 -3.541 -2.690) 4.705 3.153 ( -0.585 1.437 -2.119) 2.626 3.657 ( 2.352 -12.729 6.559) 14.511 3.735 ( 3.055 -2.889 -2.763) 5.031 4.262 ( 3.507 1.824 -4.342) 5.872 4.357 ( 2.139 -2.804 -3.748) 5.146 4.904 ( 2.830 -2.943 4.434) 6.028 4.950 ( -1.083 -2.981 1.632) 3.567 5.146 ( 2.410 -3.863 1.770) 4.885 5.172 ( 1.830 3.754 1.104) 4.320 5.334 ( -3.819 -0.053 -1.082) 3.970 5.450 ( -2.162 -1.682 0.419) 2.771 5.683 ( -2.781 4.084 -0.360) 4.954 5.753 ( -2.392 -4.691 -2.592) 5.869 11.626 ( 1.833 3.603 0.456) 4.068 12.123 ( 1.288 6.641 0.938) 6.829 12.652 ( -7.002 -17.428 17.545) 25.702 13.954 ( 3.834 9.530 2.623) 10.602 17.757 ( -5.613 -4.761 -14.014) 15.829 18.982 ( 1.933 13.919 -1.841) 14.172 ======================= Grid point 617 (281/324) ======================= q-point: ( 0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -1.041 -8.339 -5.605) 10.102 2.069 ( -3.521 -8.056 0.683) 8.819 2.296 ( -3.248 -5.169 3.000) 6.802 2.374 ( -3.977 -1.027 -1.411) 4.343 2.515 ( -2.553 -5.786 2.667) 6.864 2.840 ( -3.170 -1.584 -1.061) 3.699 2.981 ( 0.460 -3.696 0.328) 3.739 3.111 ( -0.453 -1.158 -4.541) 4.708 3.175 ( -1.846 -9.046 5.830) 10.919 3.730 ( -0.115 3.057 3.053) 4.322 3.864 ( 3.605 -3.544 -0.287) 5.064 4.220 ( 6.288 2.064 -5.785) 8.790 4.387 ( 1.418 -0.299 -1.555) 2.126 5.017 ( 2.653 -4.131 -0.028) 4.910 5.029 ( 2.741 -6.868 1.455) 7.537 5.130 ( 2.137 1.996 1.644) 3.355 5.254 ( 1.306 -4.953 2.271) 5.603 5.317 ( -2.944 -0.632 -0.918) 3.148 5.480 ( -2.427 -2.422 0.201) 3.435 5.602 ( -5.261 2.692 0.967) 5.989 5.769 ( -2.372 -0.024 -3.351) 4.106 11.600 ( 1.011 -0.324 -1.330) 1.702 12.013 ( 2.564 7.315 2.343) 8.097 12.955 ( -4.380 -11.697 13.444) 18.351 13.798 ( 0.125 9.555 1.023) 9.611 17.822 ( -1.339 -9.181 -7.975) 12.234 18.718 ( -0.404 14.204 -1.378) 14.276 ======================= Grid point 618 (282/324) ======================= q-point: ( 0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -1.937 -5.774 -4.748) 7.722 2.133 ( 1.630 0.243 3.985) 4.312 2.323 ( -4.008 0.097 -3.615) 5.398 2.433 ( -6.271 -9.193 0.241) 11.131 2.648 ( -1.105 -7.093 2.060) 7.468 2.787 ( -3.526 4.280 1.548) 5.758 3.002 ( 1.745 0.159 -2.311) 2.900 3.198 ( 1.256 -7.297 0.370) 7.414 3.371 ( -0.473 -9.066 3.971) 9.909 3.651 ( -0.064 5.375 -0.232) 5.380 3.845 ( 0.708 5.284 0.886) 5.405 4.194 ( 6.188 2.718 -4.332) 8.028 4.383 ( 0.262 0.353 -0.494) 0.661 5.082 ( 0.921 -1.439 -1.496) 2.271 5.140 ( 3.562 -1.955 0.628) 4.111 5.198 ( 1.493 -6.679 1.609) 7.030 5.300 ( -1.969 -0.977 -0.873) 2.365 5.366 ( 2.315 -3.530 2.687) 5.004 5.505 ( -3.275 -1.143 0.785) 3.557 5.535 ( -3.582 2.047 0.470) 4.152 5.717 ( -1.997 1.666 -2.996) 3.967 11.637 ( 0.362 -4.015 -1.945) 4.476 11.900 ( 2.307 7.939 2.783) 8.724 13.157 ( -1.447 -6.293 7.858) 10.171 13.628 ( -2.257 7.379 -1.668) 7.895 17.991 ( 0.938 -11.826 -3.412) 12.344 18.457 ( -1.217 13.073 -0.095) 13.130 ======================= Grid point 619 (283/324) ======================= q-point: (-0.43 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -2.513 -4.469 -2.869) 5.875 2.127 ( 2.554 4.267 4.923) 6.997 2.309 ( -0.441 -2.588 -4.125) 4.890 2.567 ( -2.720 -7.353 -2.252) 8.157 2.687 ( 1.079 3.232 -3.364) 4.788 2.742 ( -2.534 -0.961 4.057) 4.879 3.009 ( 1.969 -0.768 -0.826) 2.269 3.288 ( -0.175 2.424 3.700) 4.426 3.473 ( 1.430 -0.257 1.994) 2.467 3.611 ( 3.284 -1.315 -2.155) 4.142 3.764 ( -2.119 0.662 1.115) 2.485 4.145 ( -0.325 2.815 -0.781) 2.939 4.380 ( 0.099 -0.138 -0.277) 0.325 5.089 ( 0.394 -0.094 -0.868) 0.958 5.157 ( -0.514 2.589 0.961) 2.809 5.258 ( 0.081 1.266 -0.530) 1.375 5.323 ( 0.181 -1.432 0.204) 1.458 5.381 ( -2.364 4.884 0.350) 5.438 5.518 ( 1.745 -3.904 -0.107) 4.278 5.529 ( 0.447 -1.662 -0.003) 1.721 5.710 ( -0.440 -2.670 -0.092) 2.708 11.722 ( 0.147 -4.866 -1.578) 5.117 11.774 ( 0.267 6.854 2.200) 7.203 13.189 ( -0.554 4.952 -1.338) 5.159 13.558 ( -1.289 -2.973 -1.145) 3.437 18.199 ( 0.616 -2.663 1.499) 3.117 18.261 ( 0.567 -0.048 -0.011) 0.569 ======================= Grid point 620 (284/324) ======================= q-point: (-0.36 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -1.208 -1.289 1.955) 2.635 2.062 ( 0.625 3.336 0.794) 3.486 2.352 ( 1.403 -1.534 -1.585) 2.614 2.563 ( 4.749 6.509 0.080) 8.058 2.622 ( 1.989 4.308 -6.449) 8.006 2.806 ( -2.066 -7.506 -0.684) 7.816 3.023 ( 2.053 1.664 0.463) 2.683 3.158 ( -2.575 8.365 1.458) 8.873 3.431 ( 3.143 7.955 4.173) 9.517 3.656 ( 5.928 -2.890 -4.132) 7.782 3.830 ( -2.371 -4.441 1.874) 5.372 4.102 ( -8.274 -1.165 2.922) 8.852 4.387 ( 0.168 -0.573 0.095) 0.605 5.067 ( -3.156 4.280 1.070) 5.424 5.093 ( 0.823 2.307 -0.958) 2.630 5.126 ( -1.631 8.616 -1.256) 8.859 5.275 ( -2.151 3.882 -1.498) 4.684 5.371 ( 2.353 -1.238 0.928) 2.816 5.524 ( -0.251 0.224 -0.481) 0.587 5.632 ( 5.746 -3.215 -0.551) 6.607 5.782 ( -0.378 -4.203 1.707) 4.553 11.636 ( -1.153 6.112 0.107) 6.220 11.844 ( -0.580 -7.024 0.015) 7.048 13.012 ( -0.415 9.935 -8.803) 13.280 13.661 ( 0.536 -6.988 -0.015) 7.009 18.087 ( 1.353 6.806 5.204) 8.674 18.483 ( 0.937 -13.407 0.032) 13.440 ======================= Grid point 621 (285/324) ======================= q-point: (-0.29 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 1.679 7.470 6.000) 9.728 2.087 ( -1.184 -1.910 0.620) 2.331 2.311 ( 1.514 5.704 -2.418) 6.378 2.404 ( 3.520 11.112 -4.153) 12.374 2.541 ( 2.615 5.588 -1.121) 6.270 2.891 ( 0.696 -0.924 -4.090) 4.251 2.918 ( -2.770 6.653 -0.483) 7.223 3.107 ( 1.872 -2.643 0.837) 3.345 3.320 ( 3.050 7.112 5.129) 9.284 3.679 ( 6.131 3.607 -6.642) 9.732 3.820 ( -6.051 3.762 4.510) 8.433 4.158 ( -6.333 -6.733 3.356) 9.834 4.401 ( -0.172 -0.482 1.648) 1.726 4.899 ( -3.116 8.919 -2.207) 9.702 4.993 ( -0.607 3.124 -0.947) 3.320 5.101 ( 0.159 0.147 0.709) 0.741 5.180 ( -1.573 4.219 -1.885) 4.882 5.400 ( 2.304 -0.121 0.804) 2.443 5.509 ( 0.638 1.389 -0.320) 1.561 5.694 ( 3.902 -1.338 -0.359) 4.140 5.844 ( 0.244 -0.987 1.588) 1.885 11.545 ( -2.330 2.091 -1.599) 3.515 11.981 ( -0.161 -7.832 1.146) 7.917 12.764 ( 0.796 12.156 -11.467) 16.730 13.786 ( 0.174 -6.039 0.187) 6.044 18.048 ( 3.683 1.776 7.524) 8.563 18.723 ( -0.797 -12.553 -0.047) 12.578 ======================= Grid point 622 (286/324) ======================= q-point: (-0.21 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 1.922 7.617 7.447) 10.825 2.008 ( 1.677 13.371 6.411) 14.923 2.142 ( 2.259 11.281 -4.813) 12.471 2.297 ( -0.127 -1.227 -3.105) 3.341 2.342 ( -2.786 13.250 -5.518) 14.621 2.756 ( -0.373 10.044 -4.211) 10.897 2.921 ( 1.835 -4.244 1.250) 4.789 3.160 ( 1.643 2.452 1.609) 3.361 3.289 ( 2.320 0.142 5.695) 6.151 3.488 ( -1.001 13.190 -5.848) 14.463 3.727 ( -1.806 5.994 1.483) 6.434 4.237 ( -2.292 -1.273 1.438) 2.990 4.420 ( -0.172 -0.636 4.198) 4.249 4.759 ( -1.592 2.701 -4.530) 5.509 4.958 ( 1.187 0.977 -0.723) 1.699 5.053 ( -2.617 4.345 -0.398) 5.088 5.146 ( -0.263 -1.881 -0.364) 1.934 5.417 ( 1.933 -0.427 0.342) 2.009 5.478 ( 0.823 2.100 -0.179) 2.263 5.735 ( 1.226 -1.956 0.225) 2.320 5.816 ( 0.584 5.120 0.813) 5.217 11.526 ( -2.285 -2.363 -2.448) 4.098 12.129 ( 0.122 -7.171 1.572) 7.342 12.464 ( 1.698 16.289 -10.155) 19.270 13.885 ( -0.989 -5.138 0.387) 5.247 18.144 ( 6.008 -5.819 8.522) 11.941 18.929 ( -2.738 -11.030 -0.565) 11.379 ======================= Grid point 623 (287/324) ======================= q-point: (-0.14 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 1.568 16.887 2.120) 17.091 1.823 ( 3.542 9.690 16.805) 19.719 1.903 ( -0.456 13.901 -3.492) 14.340 2.037 ( -4.952 10.530 -13.275) 17.653 2.350 ( 0.743 -2.932 0.792) 3.126 2.506 ( -0.748 14.445 -3.204) 14.815 3.039 ( 0.531 4.182 -0.718) 4.276 3.069 ( 5.691 9.704 -1.425) 11.339 3.105 ( -4.534 6.125 6.628) 10.100 3.431 ( 1.877 -4.029 -1.960) 4.858 3.598 ( -1.940 6.083 0.368) 6.395 4.165 ( -0.784 7.657 0.078) 7.698 4.455 ( 0.464 -0.902 1.641) 1.929 4.739 ( -0.517 -1.524 -1.460) 2.173 4.926 ( 3.330 3.831 -1.939) 5.434 4.960 ( -3.683 3.771 0.437) 5.289 5.209 ( -0.283 -5.108 -0.095) 5.117 5.431 ( 1.656 1.328 -0.400) 2.160 5.456 ( -0.212 0.192 0.015) 0.287 5.682 ( 0.207 8.084 0.148) 8.088 5.791 ( -0.427 -4.103 0.466) 4.152 11.574 ( -1.322 -4.395 -2.155) 5.070 12.081 ( 1.027 22.482 -4.519) 22.954 12.240 ( 0.346 -3.737 0.183) 3.758 13.981 ( -1.356 -6.123 0.395) 6.284 18.419 ( 6.958 -16.898 6.499) 19.395 19.093 ( -3.795 -9.181 -0.769) 9.964 ======================= Grid point 624 (288/324) ======================= q-point: (-0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.000 18.728 0.000) 18.728 1.632 ( -0.000 12.807 0.000) 12.807 1.758 ( 0.000 7.813 0.000) 7.813 1.793 ( -0.000 9.152 -0.000) 9.152 2.213 ( -0.000 14.123 0.000) 14.123 2.419 ( -0.000 -3.231 0.000) 3.231 2.666 ( -0.000 19.600 0.000) 19.600 2.969 ( -0.000 5.884 0.000) 5.884 3.249 ( -0.000 -9.527 0.000) 9.527 3.420 ( -0.000 4.157 0.000) 4.157 3.578 ( -0.000 -3.441 0.000) 3.441 3.989 ( -0.000 10.336 0.000) 10.336 4.469 ( -0.000 -0.330 0.000) 0.330 4.720 ( -0.000 4.198 0.000) 4.198 4.854 ( 0.000 6.923 -0.000) 6.923 4.886 ( -0.000 0.616 0.000) 0.616 5.270 ( -0.000 14.401 0.000) 14.401 5.306 ( -0.000 -4.703 0.000) 4.703 5.484 ( -0.000 -2.981 0.000) 2.981 5.644 ( -0.000 -2.916 0.000) 2.916 5.900 ( -0.000 -8.322 0.000) 8.322 11.492 ( -0.000 24.009 0.000) 24.009 11.746 ( -0.000 1.773 0.000) 1.773 12.274 ( 0.000 -0.015 0.000) 0.015 14.101 ( 0.000 -7.057 0.000) 7.057 18.876 ( -0.000 -27.282 0.000) 27.282 19.223 ( 0.000 -6.890 0.000) 6.890 ======================= Grid point 628 (289/324) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 14.996 -0.000 -17.439) 23.000 1.310 ( 15.459 -0.000 -18.062) 23.775 1.545 ( -0.883 0.000 5.529) 5.599 1.689 ( -0.144 0.000 15.281) 15.282 1.952 ( 13.272 -0.000 -19.626) 23.692 2.319 ( -2.465 0.000 2.732) 3.680 2.463 ( -2.975 0.000 2.164) 3.679 2.763 ( -5.609 0.000 -1.711) 5.864 3.155 ( -12.052 0.000 0.051) 12.052 3.486 ( -5.697 0.000 -2.432) 6.194 3.501 ( -1.750 0.000 0.260) 1.770 3.981 ( 8.036 -0.000 4.120) 9.031 4.490 ( -2.418 0.000 1.925) 3.091 4.568 ( -1.402 0.000 0.119) 1.407 4.625 ( -0.501 0.000 -0.003) 0.501 4.759 ( 2.957 -0.000 -0.264) 2.968 5.054 ( -1.128 0.000 0.996) 1.505 5.467 ( 1.910 -0.000 1.587) 2.483 5.564 ( -1.256 0.000 4.578) 4.747 5.730 ( -0.626 0.000 0.628) 0.886 6.346 ( 8.070 -0.000 3.845) 8.939 10.604 ( -0.803 0.000 -3.615) 3.703 11.919 ( 3.961 -0.000 2.836) 4.872 12.272 ( 0.073 -0.000 2.231) 2.233 14.441 ( 15.153 -0.000 5.653) 16.173 18.617 ( -46.699 0.000 -20.119) 50.848 19.679 ( 9.245 -0.000 -7.540) 11.929 ======================= Grid point 629 (290/324) ======================= q-point: ( 0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 13.060 -6.619 -14.847) 20.852 1.294 ( 11.427 -0.705 -18.340) 21.620 1.670 ( 3.233 -6.996 7.272) 10.596 1.882 ( 0.774 -13.053 11.241) 17.244 2.083 ( 14.156 -13.009 -14.056) 23.816 2.353 ( -0.097 -5.268 -3.093) 6.110 2.466 ( -1.915 -0.695 4.284) 4.744 2.759 ( -6.972 -3.889 -1.353) 8.098 3.086 ( -10.688 0.556 1.950) 10.879 3.387 ( -3.110 3.375 -3.876) 6.007 3.558 ( -3.812 -4.357 1.305) 5.935 4.047 ( 5.652 -1.403 3.734) 6.918 4.451 ( -3.050 2.163 -1.012) 3.874 4.614 ( -2.365 -4.900 1.439) 5.628 4.722 ( -0.373 -8.789 0.625) 8.819 4.836 ( 1.412 -5.594 0.737) 5.816 5.085 ( -0.614 -4.367 0.697) 4.465 5.451 ( -2.825 2.436 2.455) 4.466 5.567 ( 2.242 2.254 4.696) 5.671 5.691 ( -0.278 3.996 0.126) 4.008 6.237 ( 7.195 15.184 1.232) 16.847 10.953 ( -5.572 -34.742 5.244) 35.575 11.916 ( 3.693 3.794 2.071) 5.685 12.291 ( -0.061 -0.609 2.355) 2.433 14.485 ( 15.865 8.531 9.251) 20.250 18.151 ( -37.825 9.568 -29.596) 48.972 19.617 ( 8.820 7.706 -6.228) 13.265 ======================= Grid point 630 (291/324) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 6.730 -12.268 -10.801) 17.676 1.358 ( 9.522 -8.275 -12.899) 18.043 1.864 ( 3.105 -9.398 5.042) 11.108 2.207 ( 0.882 -13.833 9.437) 16.768 2.268 ( 4.863 -3.728 -1.125) 6.230 2.505 ( -6.376 -6.165 -0.838) 8.908 2.535 ( 2.186 -11.833 -4.617) 12.889 2.840 ( -1.397 -9.409 -2.550) 9.848 3.071 ( -2.744 -2.842 3.250) 5.115 3.305 ( -4.351 0.573 -4.561) 6.329 3.627 ( -1.084 -3.814 1.500) 4.239 4.134 ( 2.769 -4.027 2.958) 5.712 4.383 ( -2.108 2.186 -4.473) 5.407 4.716 ( -2.407 -6.408 2.393) 7.251 4.880 ( 1.417 -6.200 -0.989) 6.436 4.938 ( -1.931 -5.207 5.368) 7.723 5.213 ( -0.195 -7.837 -1.165) 7.925 5.384 ( -4.419 3.331 2.387) 6.027 5.533 ( -0.726 5.333 6.430) 8.386 5.612 ( 1.890 2.600 -2.778) 4.248 5.986 ( 4.780 13.881 -1.897) 14.803 11.635 ( -12.463 -34.337 14.037) 39.133 11.854 ( 3.482 3.993 1.110) 5.413 12.301 ( -0.101 1.072 3.186) 3.363 14.389 ( 12.450 13.861 8.348) 20.416 17.728 ( -19.136 3.605 -27.658) 33.825 19.457 ( 6.503 11.295 -4.729) 13.865 ======================= Grid point 631 (292/324) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 2.071 -12.880 -7.390) 14.993 1.566 ( 5.055 -13.541 -5.293) 15.392 2.072 ( 2.369 -8.918 1.346) 9.325 2.335 ( -1.569 -3.775 1.940) 4.525 2.374 ( -2.438 -1.533 3.881) 4.833 2.608 ( -7.770 -9.839 -0.445) 12.545 2.712 ( -2.329 -8.081 2.947) 8.912 2.969 ( -1.169 -5.596 -2.956) 6.436 3.157 ( 5.904 -0.564 -4.395) 7.382 3.394 ( -1.942 -15.666 3.113) 16.090 3.699 ( 2.482 -3.376 0.023) 4.190 4.240 ( 0.809 -4.406 1.315) 4.668 4.320 ( 1.133 0.850 -6.780) 6.927 4.836 ( -1.360 -6.428 2.292) 6.959 4.938 ( 0.282 -0.793 3.192) 3.301 5.068 ( -0.636 -6.086 2.999) 6.815 5.267 ( 1.495 2.092 -0.517) 2.622 5.324 ( -3.069 1.817 1.357) 3.816 5.454 ( -1.495 3.269 1.926) 4.078 5.627 ( -1.577 -4.733 -2.121) 5.421 5.785 ( 0.690 8.763 -1.886) 8.990 11.724 ( 0.022 5.799 -0.339) 5.809 12.181 ( -3.478 -10.381 3.776) 11.581 12.337 ( -6.395 -12.274 15.335) 20.657 14.217 ( 7.960 13.848 5.525) 16.902 17.568 ( -6.873 -4.211 -18.212) 19.916 19.236 ( 3.326 13.471 -3.900) 14.413 ======================= Grid point 632 (293/324) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -0.002 -10.900 -4.067) 11.634 1.821 ( -0.574 -13.784 -1.470) 13.874 2.205 ( -1.770 -6.067 -1.527) 6.501 2.329 ( -5.600 0.538 -1.707) 5.879 2.450 ( -1.741 -3.720 6.673) 7.835 2.718 ( -5.877 -7.171 -1.322) 9.366 2.859 ( -0.843 -8.718 0.503) 8.773 3.038 ( 3.300 -2.537 -4.416) 6.069 3.153 ( -2.789 0.373 5.326) 6.023 3.701 ( 3.247 -11.920 -3.792) 12.924 3.780 ( 2.379 -3.851 6.259) 7.724 4.245 ( 2.575 1.111 -6.619) 7.188 4.359 ( 2.451 -3.244 -1.719) 4.414 4.946 ( 0.275 -4.869 0.822) 4.945 4.978 ( 1.708 -2.165 3.589) 4.525 5.172 ( -0.699 -4.289 2.923) 5.237 5.215 ( 3.087 3.439 0.638) 4.665 5.290 ( -1.763 0.447 -0.954) 2.054 5.429 ( -2.458 -1.051 0.623) 2.745 5.648 ( -3.292 5.120 -0.180) 6.090 5.697 ( -2.849 -4.336 -3.226) 6.109 11.626 ( -0.314 3.599 -2.109) 4.183 12.163 ( 2.879 5.607 2.598) 6.817 12.715 ( -8.870 -18.174 15.315) 25.368 14.023 ( 3.506 12.987 2.932) 13.768 17.608 ( -1.320 -8.771 -10.039) 13.397 18.972 ( 0.599 14.474 -3.131) 14.821 ======================= Grid point 633 (294/324) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -0.871 -7.636 -2.606) 8.115 2.027 ( -4.102 -10.370 -0.664) 11.171 2.279 ( -5.958 -3.506 -5.963) 9.129 2.289 ( -2.914 -1.616 2.061) 3.918 2.534 ( -0.721 -4.969 4.602) 6.811 2.792 ( -5.101 -2.461 1.255) 5.801 3.012 ( 4.292 -2.016 0.309) 4.752 3.047 ( 0.861 -6.293 -7.619) 9.920 3.229 ( -3.309 -6.892 9.388) 12.107 3.740 ( 1.475 3.034 -2.286) 4.076 3.913 ( 1.828 -1.045 4.190) 4.689 4.228 ( 4.989 -0.235 -5.998) 7.805 4.390 ( 1.396 0.053 -1.396) 1.975 5.029 ( 1.347 -3.872 -0.728) 4.164 5.081 ( 3.756 -5.884 0.867) 7.034 5.171 ( 1.349 1.167 2.216) 2.845 5.261 ( -0.275 -1.481 -1.497) 2.123 5.313 ( 0.680 -4.640 3.148) 5.648 5.454 ( -2.829 -2.420 0.466) 3.752 5.554 ( -4.974 2.807 0.844) 5.773 5.707 ( -3.073 -0.164 -3.614) 4.747 11.584 ( -0.343 -0.604 -2.570) 2.662 12.075 ( 3.600 7.457 3.414) 8.957 13.014 ( -5.197 -12.305 11.013) 17.312 13.801 ( -0.473 12.695 -0.187) 12.705 17.763 ( 1.040 -11.497 -4.561) 12.412 18.695 ( -0.936 14.049 -1.913) 14.209 ======================= Grid point 634 (295/324) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -1.328 -4.965 -1.936) 5.492 2.168 ( -1.402 -7.735 -0.596) 7.884 2.229 ( -2.490 1.573 -4.304) 5.215 2.379 ( -5.174 -7.484 1.613) 9.241 2.657 ( 0.433 -5.448 0.140) 5.467 2.760 ( -4.954 2.530 3.187) 6.411 3.004 ( 3.315 -0.102 -3.746) 5.003 3.230 ( 2.117 -9.282 3.042) 9.995 3.408 ( -1.718 -9.140 5.564) 10.837 3.635 ( 0.883 6.521 -4.018) 7.710 3.869 ( 0.491 6.611 2.782) 7.190 4.214 ( 4.447 3.033 -3.959) 6.682 4.381 ( 0.316 0.458 -0.648) 0.854 5.078 ( 0.715 -1.189 -1.433) 1.994 5.186 ( 3.965 -1.062 0.221) 4.111 5.224 ( 0.717 -4.181 1.463) 4.487 5.275 ( -1.336 -2.659 -0.458) 3.011 5.417 ( 1.979 -2.679 2.823) 4.366 5.477 ( -3.721 -0.820 1.977) 4.293 5.502 ( -2.159 0.255 -0.866) 2.340 5.665 ( -2.435 -0.287 -3.102) 3.954 11.620 ( -0.150 -4.338 -1.907) 4.741 11.954 ( 2.598 9.224 2.906) 10.014 13.209 ( -1.170 -5.446 7.102) 9.026 13.571 ( -3.329 8.728 -4.108) 10.205 17.986 ( 1.822 -13.066 -1.255) 13.253 18.443 ( -1.002 12.007 -0.208) 12.050 ======================= Grid point 635 (296/324) ======================= q-point: (-0.36 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -1.825 -4.647 -0.962) 5.085 2.161 ( -0.257 3.474 -1.883) 3.960 2.301 ( 2.954 -5.463 1.449) 6.378 2.509 ( -4.077 -9.176 -2.176) 10.274 2.671 ( -0.149 2.507 -1.137) 2.757 2.729 ( -2.260 0.259 -0.650) 2.366 3.033 ( 2.688 -1.805 0.085) 3.239 3.331 ( -0.377 6.325 5.831) 8.611 3.503 ( 2.532 -2.032 -0.096) 3.248 3.627 ( 2.477 -7.230 -2.100) 7.926 3.754 ( -1.797 4.556 2.030) 5.302 4.130 ( -0.560 5.406 -1.137) 5.553 4.378 ( 0.131 -0.292 -0.342) 0.468 5.083 ( 0.096 0.116 -0.934) 0.946 5.165 ( 0.240 3.712 1.228) 3.918 5.249 ( -0.339 3.202 -0.901) 3.343 5.325 ( -0.934 0.757 0.247) 1.227 5.364 ( -0.790 2.638 0.561) 2.810 5.504 ( -1.246 -1.433 -1.040) 2.165 5.569 ( 3.511 -6.454 1.195) 7.443 5.699 ( -1.132 -4.311 -0.468) 4.482 11.712 ( 0.290 -5.888 -0.990) 5.977 11.795 ( 0.243 9.485 1.791) 9.656 13.167 ( -0.717 10.111 -1.733) 10.283 13.529 ( -1.585 -6.644 -1.370) 6.967 18.224 ( 0.757 -4.799 2.214) 5.340 18.267 ( 0.706 0.001 -0.377) 0.800 ======================= Grid point 636 (297/324) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -1.617 -5.384 0.315) 5.630 2.083 ( 1.310 4.820 0.132) 4.996 2.368 ( 0.400 1.217 2.601) 2.899 2.579 ( 1.556 4.449 -6.307) 7.873 2.612 ( 3.928 1.510 0.316) 4.220 2.751 ( -4.159 -7.790 -2.657) 9.222 3.063 ( 2.739 3.067 1.897) 4.528 3.143 ( -2.519 9.405 0.784) 9.768 3.495 ( 2.453 7.168 2.633) 8.020 3.700 ( 6.842 -2.455 -2.297) 7.624 3.819 ( -2.396 -5.039 1.346) 5.739 4.037 ( -6.864 0.194 1.583) 7.047 4.390 ( 0.192 -0.907 0.035) 0.928 5.049 ( -2.325 4.013 1.589) 4.902 5.077 ( 0.456 10.096 -3.147) 10.585 5.120 ( -0.016 2.242 0.988) 2.450 5.243 ( -1.485 3.966 -0.981) 4.347 5.402 ( 1.659 -1.446 0.729) 2.319 5.514 ( -0.636 -0.600 -0.589) 1.054 5.686 ( 4.611 -2.561 -0.064) 5.275 5.782 ( -1.677 -5.369 0.764) 5.676 11.626 ( -0.648 7.849 -0.174) 7.877 11.842 ( -0.249 -7.496 0.464) 7.515 12.936 ( -0.686 11.573 -5.684) 12.912 13.666 ( 0.284 -7.616 0.091) 7.622 18.141 ( 1.129 4.482 3.247) 5.648 18.491 ( 0.479 -12.831 0.016) 12.840 ======================= Grid point 637 (298/324) ======================= q-point: (-0.21 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 1.312 5.848 2.570) 6.521 2.079 ( -0.917 -3.415 0.532) 3.576 2.299 ( -1.142 4.655 -0.058) 4.794 2.399 ( 2.692 12.257 -3.791) 13.109 2.566 ( 1.325 9.295 0.757) 9.420 2.837 ( -0.676 -0.972 -3.557) 3.749 2.915 ( -0.827 5.158 1.219) 5.364 3.128 ( 0.605 -3.437 0.443) 3.518 3.376 ( 1.221 6.720 1.803) 7.063 3.704 ( 5.945 8.878 -3.486) 11.239 3.789 ( -5.277 1.469 2.881) 6.189 4.128 ( -2.651 -8.611 1.236) 9.095 4.412 ( 0.030 -1.296 0.730) 1.488 4.859 ( -1.175 9.962 -1.003) 10.081 4.982 ( -0.240 2.682 -0.373) 2.718 5.115 ( 0.785 0.328 0.953) 1.277 5.149 ( -1.216 4.585 -1.286) 4.915 5.423 ( 0.897 -0.079 0.319) 0.955 5.510 ( 0.101 0.789 -0.188) 0.817 5.723 ( 1.585 -0.482 -0.075) 1.658 5.853 ( -0.139 -1.603 0.506) 1.687 11.515 ( -0.950 3.096 -0.780) 3.330 11.991 ( 0.038 -8.258 0.732) 8.290 12.693 ( 0.072 12.530 -4.503) 13.315 13.791 ( 0.151 -5.655 0.230) 5.661 18.128 ( 1.623 -0.808 2.915) 3.433 18.714 ( -0.462 -11.513 -0.154) 11.523 ======================= Grid point 638 (299/324) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.000 7.475 0.000) 7.475 2.049 ( -0.000 6.317 0.000) 6.317 2.139 ( 0.000 15.470 0.000) 15.470 2.281 ( -0.000 4.845 0.000) 4.845 2.287 ( -0.000 10.473 0.000) 10.473 2.734 ( -0.000 10.050 0.000) 10.050 2.937 ( -0.000 -5.338 0.000) 5.338 3.176 ( -0.000 2.261 0.000) 2.261 3.334 ( -0.000 -3.377 0.000) 3.377 3.451 ( -0.000 17.798 0.000) 17.798 3.723 ( -0.000 6.014 0.000) 6.014 4.231 ( -0.000 -1.418 0.000) 1.418 4.441 ( 0.000 -1.387 0.000) 1.387 4.726 ( -0.000 2.975 0.000) 2.975 4.962 ( -0.000 -0.186 0.000) 0.186 5.036 ( 0.000 5.876 0.000) 5.876 5.143 ( -0.000 -2.060 0.000) 2.060 5.429 ( -0.000 -0.503 0.000) 0.503 5.482 ( -0.000 2.074 0.000) 2.074 5.742 ( -0.000 -1.560 0.000) 1.560 5.823 ( -0.000 5.161 0.000) 5.161 11.501 ( -0.000 -1.987 0.000) 1.987 12.139 ( -0.000 -7.217 0.000) 7.217 12.424 ( -0.000 16.130 0.000) 16.130 13.883 ( 0.000 -4.688 0.000) 4.688 18.220 ( -0.000 -8.069 0.000) 8.069 18.908 ( 0.000 -10.044 0.000) 10.044 ======================= Grid point 644 (300/324) ======================= q-point: ( 0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 13.450 -0.000 -17.816) 22.323 1.341 ( 18.195 -0.000 -15.610) 23.973 1.631 ( 8.448 -0.000 4.692) 9.664 1.826 ( 1.545 -0.000 12.994) 13.085 1.921 ( 13.590 -0.000 -17.615) 22.249 2.320 ( 0.966 -0.000 -1.373) 1.678 2.469 ( -0.930 0.000 3.723) 3.838 2.673 ( -7.688 0.000 -1.953) 7.932 3.038 ( -11.755 0.000 2.833) 12.092 3.398 ( -6.959 0.000 -1.629) 7.147 3.481 ( -2.322 0.000 0.180) 2.329 4.085 ( 4.239 -0.000 4.150) 5.932 4.457 ( -4.791 0.000 -1.010) 4.897 4.544 ( -2.601 0.000 -0.108) 2.604 4.631 ( 1.152 -0.000 0.175) 1.165 4.787 ( 2.655 -0.000 -0.288) 2.671 5.049 ( -1.604 0.000 0.915) 1.846 5.470 ( -4.081 0.000 3.409) 5.318 5.624 ( 4.824 -0.000 2.472) 5.420 5.733 ( -1.207 0.000 2.008) 2.342 6.461 ( 4.496 -0.000 5.148) 6.835 10.560 ( -0.679 0.000 -4.018) 4.075 11.978 ( 3.242 -0.000 1.255) 3.476 12.292 ( -0.201 0.000 2.330) 2.338 14.727 ( 16.884 -0.000 16.831) 23.840 17.878 ( -37.564 0.000 -35.055) 51.380 19.702 ( 7.388 -0.000 -7.629) 10.620 ======================= Grid point 645 (301/324) ======================= q-point: ( 0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 11.639 -7.107 -15.387) 20.560 1.320 ( 19.792 2.228 -13.737) 24.195 1.769 ( 2.050 -5.483 7.507) 9.519 1.993 ( 4.531 -12.149 7.141) 14.802 2.122 ( 14.123 -15.615 -10.190) 23.391 2.317 ( -1.823 -0.899 -3.319) 3.892 2.495 ( 0.348 -1.238 3.790) 4.002 2.672 ( -6.024 -5.591 -1.759) 8.405 3.007 ( -8.848 -1.859 3.855) 9.829 3.310 ( -4.608 3.418 -2.991) 6.470 3.530 ( -3.487 -5.193 1.179) 6.365 4.123 ( 1.536 -0.676 4.148) 4.475 4.389 ( -3.994 2.365 -4.214) 6.269 4.593 ( -3.272 -5.687 0.898) 6.622 4.726 ( 0.213 -8.240 0.374) 8.252 4.862 ( 1.528 -5.584 1.343) 5.943 5.075 ( -1.888 -4.159 -0.328) 4.579 5.437 ( -3.915 2.780 3.760) 6.099 5.638 ( 3.999 2.405 2.362) 5.230 5.691 ( -1.378 4.565 1.582) 5.024 6.311 ( 4.246 17.032 0.705) 17.568 10.925 ( -7.396 -36.063 3.914) 37.021 11.961 ( 2.702 3.892 0.381) 4.754 12.311 ( -0.393 -0.804 2.580) 2.731 14.769 ( 12.127 12.366 15.875) 23.495 17.530 ( -20.082 1.327 -31.921) 37.736 19.637 ( 6.157 6.953 -7.207) 11.755 ======================= Grid point 646 (302/324) ======================= q-point: ( 0.36 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 8.677 -11.099 -9.422) 16.948 1.401 ( 15.920 -5.752 -8.789) 19.073 1.930 ( 0.938 -8.219 4.001) 9.189 2.285 ( 2.045 -9.206 2.385) 9.727 2.286 ( -4.294 -1.892 0.725) 4.748 2.383 ( -4.046 -10.405 -1.191) 11.227 2.581 ( 2.136 -6.168 3.029) 7.196 2.805 ( 1.197 -9.949 -4.052) 10.809 3.094 ( -0.426 -10.167 4.379) 11.078 3.220 ( -2.563 1.631 -4.793) 5.675 3.624 ( -1.224 -5.596 0.884) 5.796 4.174 ( -1.740 -3.085 3.545) 5.011 4.312 ( -0.941 1.446 -6.875) 7.088 4.703 ( -3.121 -7.308 1.655) 8.117 4.884 ( 0.693 -7.312 -0.780) 7.386 4.968 ( -1.545 -4.545 4.976) 6.914 5.188 ( -1.077 -8.608 -2.582) 9.051 5.373 ( -2.772 3.714 4.039) 6.147 5.571 ( -2.968 7.417 5.861) 9.908 5.612 ( 3.093 2.940 -2.983) 5.207 6.011 ( 3.425 15.785 -2.468) 16.340 11.587 ( -13.886 -32.594 7.397) 36.193 11.897 ( 2.427 1.603 1.690) 3.364 12.331 ( -0.665 0.054 4.158) 4.212 14.588 ( 7.717 17.538 8.480) 20.953 17.372 ( -4.875 -3.836 -19.500) 20.462 19.464 ( 3.963 11.316 -6.201) 13.499 ======================= Grid point 647 (303/324) ======================= q-point: ( 0.43 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 5.331 -11.074 -3.620) 12.812 1.597 ( 8.613 -10.789 -4.130) 14.409 2.067 ( -2.734 -5.912 -3.792) 7.537 2.282 ( -9.031 -1.702 1.646) 9.336 2.386 ( -2.632 -5.110 4.108) 7.065 2.554 ( -1.793 -7.300 0.497) 7.534 2.711 ( -1.505 -6.633 0.969) 6.870 2.967 ( 1.697 -7.071 1.617) 7.450 3.165 ( 1.842 0.850 -2.516) 3.232 3.413 ( 1.678 -18.205 0.387) 18.286 3.729 ( 2.859 -5.361 0.785) 6.126 4.219 ( -3.084 -1.692 -3.922) 5.268 4.298 ( 2.756 -2.969 -2.396) 4.707 4.834 ( -2.125 -7.373 1.723) 7.864 4.961 ( 0.072 -2.139 0.943) 2.339 5.087 ( -1.529 -6.373 3.677) 7.515 5.265 ( 0.487 0.770 -0.196) 0.932 5.330 ( 0.173 1.748 1.643) 2.405 5.458 ( -1.311 4.938 2.264) 5.588 5.585 ( -2.525 -2.347 -2.176) 4.077 5.772 ( 0.481 10.192 -2.267) 10.453 11.692 ( -2.800 4.487 -2.733) 5.954 12.194 ( -0.883 -13.118 4.315) 13.838 12.386 ( -7.386 -10.775 11.874) 17.653 14.334 ( 4.944 16.414 3.696) 17.536 17.407 ( 0.808 -7.545 -9.698) 12.313 19.220 ( 1.464 13.768 -5.023) 14.728 ======================= Grid point 648 (304/324) ======================= q-point: ( 0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 1.602 -9.228 -0.116) 9.367 1.818 ( 2.404 -10.427 -1.580) 10.816 2.111 ( -6.116 -5.852 -7.488) 11.301 2.256 ( -8.073 -0.996 0.409) 8.144 2.492 ( -1.193 -3.088 5.777) 6.658 2.669 ( -2.496 -7.706 1.728) 8.282 2.851 ( 0.554 -9.241 -2.320) 9.544 3.047 ( 6.121 0.136 -4.525) 7.614 3.174 ( -5.331 -1.800 8.214) 9.957 3.690 ( 2.738 -9.374 -5.147) 11.039 3.870 ( 2.398 -6.305 7.239) 9.895 4.202 ( 1.729 -0.907 -7.766) 8.007 4.369 ( 1.387 -2.777 -0.910) 3.235 4.955 ( 0.324 -5.429 0.770) 5.493 5.014 ( 0.420 -3.683 1.168) 3.886 5.193 ( -0.986 -1.493 3.855) 4.250 5.227 ( -0.247 -1.051 -0.261) 1.110 5.301 ( 3.780 2.443 -0.108) 4.502 5.411 ( -2.207 -0.181 0.994) 2.427 5.607 ( -4.529 3.924 0.143) 5.994 5.639 ( -1.730 -2.023 -3.420) 4.334 11.590 ( -1.562 3.031 -3.033) 4.563 12.226 ( 3.816 4.834 3.010) 6.854 12.739 ( -8.715 -19.237 11.118) 23.867 14.072 ( 2.052 15.662 1.128) 15.836 17.549 ( 2.060 -10.204 -4.302) 11.264 18.942 ( -0.355 14.478 -3.543) 14.909 ======================= Grid point 649 (305/324) ======================= q-point: ( 0.57 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 0.220 -6.551 1.352) 6.693 1.963 ( -3.912 -7.956 -4.489) 9.937 2.172 ( -4.160 -5.828 -3.697) 8.058 2.264 ( -3.567 -3.780 0.095) 5.198 2.567 ( 0.163 -4.255 2.953) 5.182 2.770 ( -4.116 -1.633 5.322) 6.924 2.979 ( 2.522 -3.568 -9.844) 10.770 3.085 ( 4.840 -6.450 2.927) 8.579 3.259 ( -4.633 -6.855 6.509) 10.528 3.729 ( 1.493 2.932 -3.295) 4.657 3.969 ( 0.663 1.304 4.639) 4.864 4.223 ( 3.576 -2.412 -5.121) 6.695 4.390 ( 0.750 0.267 -1.097) 1.355 5.036 ( 1.352 -3.107 -0.923) 3.512 5.120 ( 2.030 -6.083 0.635) 6.444 5.180 ( -1.651 -1.577 0.754) 2.405 5.269 ( 3.540 1.686 -0.750) 3.992 5.356 ( 1.255 -6.210 3.382) 7.182 5.432 ( -2.127 -2.421 0.998) 3.374 5.511 ( -4.137 2.926 0.495) 5.092 5.640 ( -3.127 0.065 -3.410) 4.627 11.554 ( -0.783 -1.304 -2.288) 2.748 12.143 ( 3.268 7.802 2.910) 8.946 13.045 ( -4.447 -13.682 7.482) 16.216 13.786 ( -0.738 15.875 -1.476) 15.960 17.755 ( 2.010 -12.313 -1.410) 12.556 18.667 ( -0.985 13.465 -1.797) 13.620 ======================= Grid point 650 (306/324) ======================= q-point: ( 0.64 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -0.190 -3.508 0.723) 3.587 2.077 ( -3.791 -9.125 -6.449) 11.799 2.225 ( 0.434 -3.505 0.609) 3.584 2.350 ( -2.889 -5.923 1.595) 6.780 2.659 ( 0.222 -3.579 -0.154) 3.589 2.744 ( -2.759 2.809 2.274) 4.547 3.002 ( 2.108 -2.226 -3.019) 4.302 3.297 ( 3.333 -10.217 4.545) 11.669 3.419 ( -3.308 -10.183 2.410) 10.975 3.606 ( 0.844 8.529 -3.701) 9.335 3.898 ( 0.362 7.162 2.218) 7.507 4.221 ( 2.382 3.277 -2.499) 4.760 4.379 ( 0.193 0.490 -0.477) 0.711 5.072 ( 0.280 -1.027 -0.903) 1.395 5.225 ( 3.633 -0.937 -1.134) 3.919 5.240 ( -0.470 -1.283 1.820) 2.276 5.265 ( -0.394 -4.329 0.145) 4.349 5.438 ( -2.106 0.595 2.149) 3.067 5.463 ( -1.085 -0.689 -1.327) 1.847 5.495 ( 1.235 -2.464 2.659) 3.830 5.610 ( -2.439 -2.823 -3.042) 4.814 11.603 ( -0.224 -4.918 -1.137) 5.053 12.001 ( 1.750 10.354 1.836) 10.660 13.263 ( -0.048 -6.932 6.294) 9.363 13.489 ( -3.084 11.706 -5.431) 13.268 18.000 ( 1.450 -13.438 -0.048) 13.516 18.432 ( -0.595 10.944 -0.221) 10.962 ======================= Grid point 651 (307/324) ======================= q-point: (-0.29 0.21 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -0.666 -4.236 0.051) 4.288 2.127 ( -0.444 -0.182 -2.271) 2.321 2.369 ( 4.296 -6.520 3.269) 8.465 2.442 ( -4.515 -7.800 -2.202) 9.278 2.670 ( -0.317 2.012 1.645) 2.618 2.694 ( -0.714 1.468 -2.943) 3.365 3.057 ( 1.154 -2.891 0.191) 3.119 3.369 ( -0.553 11.667 3.080) 12.079 3.530 ( 2.973 -5.525 -0.902) 6.339 3.616 ( -1.330 -12.388 -0.768) 12.482 3.763 ( 0.151 7.355 1.103) 7.439 4.116 ( -0.330 7.225 -0.591) 7.256 4.377 ( 0.061 -0.407 -0.150) 0.438 5.077 ( -0.046 0.319 -0.348) 0.474 5.179 ( 0.439 3.953 0.570) 4.018 5.239 ( -0.198 4.242 -0.430) 4.268 5.310 ( -1.133 4.875 -0.064) 5.005 5.372 ( 0.488 -1.709 0.476) 1.840 5.484 ( -0.739 -1.690 -0.586) 1.936 5.613 ( 2.301 -7.727 1.000) 8.124 5.678 ( -1.378 -4.400 -0.671) 4.659 11.709 ( 0.153 -6.717 -0.308) 6.726 11.809 ( 0.091 11.218 0.674) 11.239 13.148 ( -0.330 13.805 -0.795) 13.832 13.506 ( -0.697 -9.579 -0.589) 9.623 18.250 ( 0.337 -8.055 1.811) 8.263 18.266 ( 0.310 2.157 -0.999) 2.397 ======================= Grid point 652 (308/324) ======================= q-point: (-0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -0.000 -5.634 0.000) 5.634 2.090 ( 0.000 3.411 0.000) 3.411 2.387 ( -0.000 3.829 0.000) 3.829 2.555 ( -0.000 3.025 0.000) 3.025 2.649 ( -0.000 1.140 -0.000) 1.140 2.699 ( 0.000 -8.516 0.000) 8.516 3.100 ( 0.000 -1.131 0.000) 1.131 3.121 ( -0.000 14.300 0.000) 14.300 3.522 ( -0.000 7.190 0.000) 7.190 3.735 ( -0.000 -3.471 0.000) 3.471 3.809 ( 0.000 -4.806 -0.000) 4.806 4.002 ( 0.000 1.058 0.000) 1.058 4.391 ( 0.000 -1.070 0.000) 1.070 5.044 ( 0.000 3.370 -0.000) 3.370 5.064 ( -0.000 11.882 0.000) 11.882 5.126 ( -0.000 1.422 0.000) 1.422 5.230 ( -0.000 4.062 0.000) 4.062 5.415 ( -0.000 -1.408 0.000) 1.408 5.506 ( -0.000 -0.977 0.000) 0.977 5.717 ( -0.000 -1.173 0.000) 1.173 5.771 ( 0.000 -6.914 0.000) 6.914 11.621 ( -0.000 8.625 0.000) 8.625 11.844 ( -0.000 -7.803 0.000) 7.803 12.905 ( -0.000 12.225 0.000) 12.225 13.668 ( -0.000 -7.943 0.000) 7.943 18.163 ( 0.000 3.557 0.000) 3.557 18.494 ( 0.000 -12.515 0.000) 12.515 ======================= Grid point 660 (309/324) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 13.672 -0.000 -17.729) 22.388 1.417 ( 18.629 -0.000 -11.998) 22.158 1.763 ( 0.919 -0.000 8.138) 8.190 1.953 ( 2.270 -0.000 10.191) 10.441 1.988 ( 28.371 -0.000 -13.810) 31.554 2.294 ( -3.368 0.000 -2.580) 4.243 2.508 ( 2.350 -0.000 3.079) 3.873 2.565 ( -8.983 0.000 -1.748) 9.151 2.957 ( -8.364 0.000 3.546) 9.085 3.316 ( -7.089 0.000 1.129) 7.178 3.456 ( -2.495 0.000 0.029) 2.495 4.141 ( -1.901 0.000 4.645) 5.019 4.371 ( -4.746 0.000 -5.547) 7.300 4.515 ( -2.410 0.000 -0.182) 2.417 4.647 ( 1.359 -0.000 0.183) 1.371 4.810 ( 2.155 -0.000 -0.257) 2.171 5.031 ( -2.815 0.000 0.289) 2.830 5.463 ( -3.223 0.000 4.143) 5.250 5.689 ( 7.077 -0.000 -3.049) 7.706 5.738 ( -4.691 0.000 6.294) 7.850 6.520 ( 0.189 -0.000 2.232) 2.240 10.520 ( -0.344 0.000 -3.535) 3.551 12.013 ( 2.222 -0.000 0.003) 2.222 12.308 ( -0.502 0.000 1.888) 1.953 15.023 ( 4.608 -0.000 16.581) 17.210 17.312 ( -9.351 0.000 -26.851) 28.432 19.697 ( 5.047 -0.000 -8.247) 9.669 ======================= Grid point 661 (310/324) ======================= q-point: ( 0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 12.917 -7.845 -13.534) 20.287 1.443 ( 20.772 1.518 -9.331) 22.822 1.832 ( -1.253 -4.486 5.172) 6.960 2.111 ( 4.914 -10.564 6.548) 13.365 2.195 ( 7.984 -6.687 -4.165) 11.216 2.255 ( -2.394 -1.360 -2.593) 3.782 2.539 ( 2.669 -2.286 1.867) 3.979 2.611 ( -0.621 -8.652 -1.846) 8.869 2.960 ( -5.912 -3.627 2.785) 7.474 3.250 ( -3.624 3.220 0.303) 4.857 3.505 ( -3.018 -5.746 1.090) 6.582 4.140 ( -6.507 -0.470 3.616) 7.459 4.303 ( -0.858 1.594 -6.826) 7.062 4.565 ( -2.906 -5.969 0.375) 6.650 4.732 ( 0.443 -7.466 0.159) 7.481 4.890 ( 1.190 -6.177 1.462) 6.458 5.039 ( -2.957 -3.460 -1.283) 4.729 5.442 ( -2.137 2.614 4.257) 5.433 5.676 ( 4.965 3.332 -6.056) 8.510 5.702 ( -4.131 4.291 8.727) 10.566 6.340 ( 1.843 17.019 -1.298) 17.168 10.870 ( -6.775 -34.686 1.432) 35.371 11.985 ( 1.724 3.828 -0.073) 4.199 12.327 ( -0.613 -1.288 2.126) 2.560 14.951 ( -0.065 13.403 7.354) 15.287 17.227 ( 2.861 -2.298 -13.073) 13.579 19.621 ( 3.655 6.647 -7.837) 10.907 ======================= Grid point 662 (311/324) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 9.948 -11.670 -6.366) 16.603 1.525 ( 18.528 -2.609 -5.889) 19.616 1.933 ( -4.033 -5.249 -0.601) 6.646 2.198 ( -9.156 -2.165 2.255) 9.676 2.279 ( -4.694 -4.421 -1.295) 6.577 2.414 ( 2.687 -10.676 4.301) 11.819 2.622 ( 1.121 -3.446 2.207) 4.243 2.820 ( 5.389 -10.639 -0.042) 11.927 3.095 ( -3.155 -12.354 -0.853) 12.779 3.201 ( 3.753 0.027 -0.605) 3.802 3.624 ( 0.150 -7.366 0.930) 7.426 4.128 ( -9.131 -2.439 -1.062) 9.511 4.270 ( 2.655 -0.416 -3.930) 4.762 4.683 ( -2.658 -7.924 0.958) 8.412 4.881 ( -0.012 -7.284 -0.622) 7.311 4.988 ( -1.913 -3.853 3.420) 5.496 5.156 ( -0.215 -10.228 -2.302) 10.486 5.392 ( -1.271 3.679 4.549) 5.987 5.575 ( -1.127 6.342 0.680) 6.477 5.624 ( 0.309 5.750 0.975) 5.840 6.017 ( 2.218 16.727 -2.804) 17.105 11.489 ( -11.027 -30.025 1.989) 32.048 11.936 ( 1.104 -1.179 2.465) 2.947 12.358 ( -0.802 -0.855 3.306) 3.508 14.681 ( 1.211 16.963 1.618) 17.083 17.278 ( 5.737 -4.244 -4.538) 8.457 19.436 ( 1.847 11.270 -6.451) 13.117 ======================= Grid point 663 (312/324) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 6.784 -10.136 -0.459) 12.206 1.678 ( 11.969 -6.830 -2.866) 14.076 1.955 ( -7.350 -3.546 -6.025) 10.144 2.174 ( -13.751 -1.106 0.805) 13.819 2.394 ( -1.801 -9.224 3.608) 10.067 2.573 ( 2.291 -3.978 2.259) 5.116 2.703 ( -0.477 -5.798 -0.756) 5.866 3.018 ( 3.015 -6.175 3.014) 7.504 3.160 ( -0.406 -0.574 -0.023) 0.704 3.424 ( 1.712 -16.525 -2.205) 16.759 3.785 ( 4.803 -7.800 2.491) 9.493 4.127 ( -4.754 -3.339 -6.233) 8.520 4.309 ( 1.287 -3.374 -0.553) 3.653 4.826 ( -1.654 -8.220 1.145) 8.463 4.958 ( -0.857 -2.761 -0.307) 2.907 5.097 ( -1.449 -6.976 2.123) 7.434 5.294 ( 3.306 -0.525 1.756) 3.780 5.343 ( -0.353 1.839 1.584) 2.453 5.464 ( -0.543 5.346 1.024) 5.470 5.533 ( -3.646 0.525 -1.765) 4.085 5.757 ( 0.495 10.930 -1.940) 11.112 11.629 ( -3.314 2.429 -2.909) 5.035 12.235 ( 1.048 -17.116 3.934) 17.594 12.396 ( -6.222 -7.033 6.876) 11.639 14.386 ( 1.842 16.474 0.303) 16.580 17.392 ( 4.241 -6.751 -1.700) 8.152 19.184 ( 0.236 13.748 -4.539) 14.480 ======================= Grid point 664 (313/324) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 3.079 -7.257 3.123) 8.479 1.830 ( 2.578 -4.605 -3.768) 6.484 1.991 ( -4.102 -8.042 -3.569) 9.707 2.151 ( -8.847 -4.390 -1.947) 10.067 2.524 ( -0.532 -3.137 3.216) 4.524 2.695 ( -0.350 -7.170 6.334) 9.574 2.820 ( 0.870 -7.959 -6.435) 10.272 3.088 ( 7.027 0.265 -2.552) 7.480 3.176 ( -6.652 -2.393 6.450) 9.570 3.674 ( 1.625 -9.127 -3.430) 9.885 3.959 ( 1.956 -5.470 6.980) 9.081 4.143 ( 0.497 -3.734 -7.738) 8.606 4.372 ( 0.382 -2.402 -0.477) 2.478 4.968 ( 0.813 -6.421 0.686) 6.508 5.011 ( -1.214 -4.564 -0.304) 4.733 5.215 ( -0.195 5.303 2.026) 5.680 5.227 ( -0.101 -6.279 0.655) 6.314 5.344 ( 3.816 0.991 -0.037) 3.943 5.403 ( -0.905 1.056 1.154) 1.807 5.551 ( -4.641 -0.918 -0.803) 4.799 5.606 ( -0.503 3.355 -1.595) 3.748 11.549 ( -1.288 2.314 -2.069) 3.361 12.289 ( 3.055 4.830 2.005) 6.056 12.734 ( -5.853 -20.499 5.798) 22.093 14.090 ( 0.817 16.965 -0.210) 16.986 17.556 ( 2.343 -9.822 -0.653) 10.119 18.908 ( -0.543 14.210 -2.471) 14.433 ======================= Grid point 665 (314/324) ======================= q-point: ( 0.64 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 2.078 -5.291 5.091) 7.631 1.865 ( -3.652 -5.739 -6.973) 9.741 2.130 ( -1.037 -7.066 -0.095) 7.143 2.226 ( -1.848 -7.009 -0.918) 7.306 2.587 ( 0.153 -3.643 1.015) 3.785 2.790 ( -1.893 0.674 4.922) 5.316 2.924 ( 1.469 -5.922 -6.076) 8.611 3.159 ( 4.181 -6.648 1.346) 7.968 3.248 ( -4.048 -6.666 2.211) 8.106 3.718 ( 0.608 3.019 -1.405) 3.385 4.005 ( 0.084 2.930 2.071) 3.589 4.216 ( 1.411 -4.097 -2.216) 4.867 4.388 ( 0.175 0.275 -0.429) 0.539 5.041 ( 0.645 -2.189 -0.456) 2.327 5.133 ( -0.152 -7.649 0.284) 7.656 5.174 ( -0.084 -1.511 0.138) 1.520 5.298 ( 1.897 1.661 -0.349) 2.546 5.390 ( 0.405 -4.637 1.381) 4.855 5.432 ( -0.018 -4.621 1.233) 4.783 5.478 ( -2.010 3.092 0.127) 3.690 5.586 ( -1.713 1.010 -1.910) 2.757 11.532 ( -0.371 -1.840 -0.895) 2.079 12.188 ( 1.355 8.145 1.146) 8.336 13.056 ( -1.825 -15.039 2.697) 15.388 13.767 ( -0.324 18.011 -0.887) 18.036 17.768 ( 0.982 -12.324 -0.111) 12.363 18.647 ( -0.432 12.954 -0.763) 12.984 ======================= Grid point 666 (315/324) ======================= q-point: ( 0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -0.000 -2.002 0.000) 2.002 2.020 ( -0.000 -10.405 -0.000) 10.405 2.230 ( -0.000 -5.584 -0.000) 5.584 2.342 ( -0.000 -5.539 0.000) 5.539 2.660 ( -0.000 -3.166 0.000) 3.166 2.739 ( -0.000 3.844 0.000) 3.844 2.999 ( -0.000 -3.523 0.000) 3.523 3.360 ( 0.000 -12.147 0.000) 12.147 3.389 ( -0.000 -8.919 -0.000) 8.919 3.594 ( -0.000 9.406 0.000) 9.406 3.911 ( -0.000 7.217 0.000) 7.217 4.222 ( -0.000 3.395 0.000) 3.395 4.377 ( -0.000 0.476 0.000) 0.476 5.069 ( -0.000 -0.968 0.000) 0.968 5.236 ( -0.000 -3.213 -0.000) 3.213 5.251 ( -0.000 3.421 0.000) 3.421 5.264 ( -0.000 -6.234 0.000) 6.234 5.437 ( -0.000 2.480 0.000) 2.480 5.445 ( -0.000 -2.187 -0.000) 2.187 5.532 ( -0.000 0.754 -0.000) 0.754 5.569 ( -0.000 -7.103 -0.000) 7.103 11.597 ( -0.000 -5.185 0.000) 5.185 12.019 ( -0.000 10.807 0.000) 10.807 13.303 ( -0.000 -11.900 -0.000) 11.900 13.435 ( -0.000 17.185 0.000) 17.185 18.009 ( -0.000 -13.468 -0.000) 13.468 18.428 ( -0.000 10.499 -0.000) 10.499 ======================= Grid point 676 (316/324) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 14.798 -0.000 -13.382) 19.951 1.518 ( 16.323 -0.000 -8.089) 18.217 1.804 ( -1.843 0.000 4.721) 5.068 2.056 ( 2.091 -0.000 7.113) 7.414 2.197 ( -8.785 0.000 -3.564) 9.481 2.245 ( 30.660 -0.000 -4.949) 31.056 2.452 ( -8.972 0.000 -1.233) 9.056 2.574 ( 4.801 -0.000 2.932) 5.625 2.910 ( -5.591 0.000 1.727) 5.851 3.274 ( -6.117 0.000 5.223) 8.043 3.430 ( -2.146 0.000 -0.086) 2.147 4.101 ( -10.984 0.000 1.204) 11.049 4.292 ( 0.889 -0.000 -5.574) 5.645 4.491 ( -1.761 0.000 -0.160) 1.768 4.662 ( 1.065 -0.000 0.121) 1.072 4.828 ( 1.517 -0.000 -0.189) 1.529 4.997 ( -3.095 0.000 -0.274) 3.107 5.474 ( -1.625 0.000 3.765) 4.101 5.707 ( 4.600 -0.000 -6.385) 7.869 5.757 ( -4.171 0.000 8.296) 9.286 6.518 ( -0.755 0.000 -0.984) 1.240 10.490 ( -0.044 0.000 -2.516) 2.517 12.030 ( 1.198 -0.000 -0.102) 1.202 12.316 ( -0.610 0.000 1.225) 1.368 15.074 ( -6.809 0.000 0.166) 6.811 17.217 ( 10.331 -0.000 -0.564) 10.346 19.664 ( 2.762 -0.000 -8.107) 8.564 ======================= Grid point 677 (317/324) ======================= q-point: ( 0.43 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 12.336 -8.171 -8.325) 16.978 1.580 ( 16.651 -0.953 -6.175) 17.785 1.843 ( -2.641 -2.769 2.852) 4.772 2.129 ( -5.774 -2.286 -1.970) 6.515 2.216 ( 0.547 -4.381 5.059) 6.715 2.250 ( -1.347 -1.681 -0.654) 2.252 2.593 ( 6.927 -5.577 -0.760) 8.926 2.659 ( 9.133 -8.580 1.132) 12.582 2.917 ( -4.680 -4.182 0.314) 6.284 3.239 ( -1.703 2.171 3.068) 4.126 3.487 ( -2.031 -6.633 1.293) 7.057 4.039 ( -11.306 -0.421 -2.007) 11.490 4.270 ( 1.951 0.612 -3.088) 3.703 4.541 ( -1.855 -5.890 0.148) 6.177 4.737 ( 0.309 -6.833 0.018) 6.840 4.913 ( 0.702 -6.875 1.357) 7.043 4.996 ( -2.423 -2.765 -1.544) 3.988 5.461 ( -0.952 2.230 3.337) 4.125 5.664 ( 1.263 3.814 -3.080) 5.062 5.733 ( -1.573 4.110 4.525) 6.312 6.338 ( 1.027 16.225 -2.044) 16.386 10.814 ( -4.341 -32.103 -0.019) 32.395 11.999 ( 0.761 3.567 0.125) 3.650 12.336 ( -0.512 -1.787 1.319) 2.279 14.927 ( -4.543 10.168 -3.149) 11.573 17.288 ( 10.013 0.269 4.392) 10.937 19.581 ( 1.629 6.454 -6.787) 9.506 ======================= Grid point 678 (318/324) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 8.000 -12.120 -2.779) 14.785 1.675 ( 16.119 -2.236 -4.779) 16.961 1.863 ( -4.799 -0.909 -0.037) 4.884 2.107 ( -13.020 2.648 1.077) 13.330 2.215 ( -2.716 -8.870 -0.303) 9.281 2.479 ( 2.512 -10.321 2.780) 10.980 2.648 ( 0.849 -0.661 1.141) 1.569 2.900 ( 5.074 -9.622 3.224) 11.346 3.047 ( -2.092 -11.083 -2.461) 11.544 3.242 ( 3.116 -2.168 -0.069) 3.797 3.652 ( 2.975 -10.079 1.660) 10.639 3.996 ( -9.304 -2.918 -3.779) 10.457 4.272 ( 1.381 -1.046 -1.130) 2.068 4.666 ( -1.445 -8.247 0.443) 8.385 4.874 ( -0.325 -6.671 -0.398) 6.690 4.990 ( -1.443 -3.495 1.491) 4.064 5.144 ( 0.524 -12.010 -1.032) 12.066 5.419 ( -0.645 3.352 3.122) 4.626 5.570 ( 0.382 5.567 -0.668) 5.620 5.629 ( -1.121 7.859 1.220) 8.032 6.013 ( 1.216 17.075 -1.900) 17.223 11.403 ( -5.917 -28.325 0.009) 28.936 11.963 ( 0.264 -2.898 1.742) 3.391 12.374 ( -0.450 -1.323 1.730) 2.224 14.673 ( -0.769 14.102 -1.883) 14.248 17.349 ( 5.977 -0.981 2.536) 6.566 19.396 ( 0.520 11.136 -4.412) 11.989 ======================= Grid point 679 (319/324) ======================= q-point: ( 0.57 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 4.200 -10.630 0.927) 11.467 1.775 ( 6.870 -2.820 -4.275) 8.569 1.866 ( 1.036 -1.921 1.374) 2.579 2.014 ( -13.539 -2.380 -1.643) 13.845 2.407 ( -0.617 -10.581 1.654) 10.727 2.628 ( 2.604 -3.458 3.285) 5.434 2.678 ( -1.326 -4.627 -2.666) 5.502 3.069 ( 1.783 -5.204 1.550) 5.715 3.157 ( -0.719 -0.810 0.593) 1.235 3.415 ( 0.509 -15.614 -1.618) 15.706 3.874 ( 5.592 -8.969 3.778) 11.224 4.014 ( -5.485 -5.332 -5.285) 9.298 4.315 ( 0.337 -3.196 -0.153) 3.217 4.820 ( -0.605 -8.752 0.406) 8.783 4.946 ( -0.477 -2.808 -0.223) 2.857 5.098 ( -0.526 -7.214 0.604) 7.259 5.339 ( 1.936 -5.590 -0.716) 5.959 5.365 ( 0.616 4.454 3.990) 6.011 5.458 ( 0.016 5.029 -2.615) 5.668 5.485 ( -2.916 4.098 0.568) 5.062 5.749 ( 0.253 11.183 -0.742) 11.210 11.582 ( -1.407 1.093 -1.195) 2.145 12.277 ( 1.215 -23.700 1.725) 23.794 12.383 ( -2.968 -0.412 2.070) 3.642 14.394 ( 0.378 15.671 -0.463) 15.683 17.430 ( 2.177 -5.007 0.517) 5.484 19.153 ( -0.085 13.617 -1.897) 13.749 ======================= Grid point 680 (320/324) ======================= q-point: ( 0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -0.000 -6.845 0.000) 6.845 1.802 ( -0.000 -0.775 0.000) 0.775 1.976 ( -0.000 -8.346 0.000) 8.346 2.074 ( -0.000 -7.586 -0.000) 7.586 2.536 ( -0.000 -3.239 0.000) 3.239 2.755 ( -0.000 -9.266 -0.000) 9.266 2.763 ( -0.000 -4.731 0.000) 4.731 3.133 ( -0.000 1.219 0.000) 1.219 3.154 ( -0.000 -3.650 0.000) 3.650 3.667 ( -0.000 -9.217 0.000) 9.217 4.018 ( -0.000 -2.576 0.000) 2.576 4.094 ( -0.000 -7.296 0.000) 7.296 4.372 ( -0.000 -2.255 -0.000) 2.255 4.980 ( -0.000 -8.660 0.000) 8.660 4.997 ( -0.000 -2.840 0.000) 2.840 5.224 ( -0.000 6.928 0.000) 6.928 5.230 ( -0.000 -7.104 0.000) 7.104 5.367 ( -0.000 -0.385 0.000) 0.385 5.408 ( -0.000 2.458 0.000) 2.458 5.515 ( -0.000 -2.538 -0.000) 2.538 5.596 ( -0.000 4.658 0.000) 4.658 11.531 ( -0.000 2.000 0.000) 2.000 12.317 ( -0.000 5.103 0.000) 5.103 12.727 ( -0.000 -21.208 0.000) 21.208 14.093 ( -0.000 17.296 0.000) 17.296 17.569 ( -0.000 -9.403 0.000) 9.403 18.892 ( -0.000 14.052 -0.000) 14.052 ======================= Grid point 692 (321/324) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 10.716 -0.000 -6.507) 12.537 1.610 ( 10.329 -0.000 -4.147) 11.131 1.827 ( -0.500 0.000 3.466) 3.501 2.064 ( -8.449 0.000 -3.430) 9.119 2.124 ( 1.231 -0.000 3.773) 3.969 2.358 ( -6.360 0.000 -0.629) 6.391 2.496 ( 19.610 -0.000 -3.048) 19.846 2.667 ( 7.029 -0.000 3.429) 7.821 2.861 ( -4.721 0.000 0.187) 4.724 3.266 ( -5.127 0.000 5.732) 7.691 3.410 ( -1.255 0.000 -0.091) 1.258 3.969 ( -9.325 0.000 -2.824) 9.743 4.275 ( 1.130 -0.000 -1.936) 2.242 4.475 ( -0.919 0.000 -0.089) 0.924 4.672 ( 0.570 -0.000 0.055) 0.573 4.840 ( 0.784 -0.000 -0.100) 0.790 4.966 ( -1.918 0.000 -0.317) 1.944 5.490 ( -0.690 0.000 2.198) 2.303 5.693 ( 1.138 -0.000 -2.880) 3.097 5.783 ( -1.447 0.000 3.706) 3.978 6.500 ( -0.187 0.000 -1.402) 1.414 10.473 ( 0.063 -0.000 -1.281) 1.283 12.038 ( 0.377 -0.000 -0.007) 0.377 12.318 ( -0.416 0.000 0.576) 0.711 14.970 ( -5.010 0.000 -4.985) 7.068 17.385 ( 8.758 -0.000 7.950) 11.828 19.620 ( 1.038 -0.000 -5.515) 5.612 ======================= Grid point 693 (322/324) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 5.543 -8.242 -2.634) 10.276 1.669 ( 6.259 -2.646 -2.631) 7.287 1.845 ( -0.497 -0.740 1.765) 1.977 2.059 ( -2.992 -5.412 -1.560) 6.378 2.189 ( -3.744 10.109 -0.041) 10.780 2.272 ( 0.500 -12.202 2.074) 12.388 2.650 ( 3.293 -2.526 -0.053) 4.151 2.773 ( 6.961 -7.718 0.769) 10.421 2.873 ( -2.699 -4.434 -0.231) 5.196 3.252 ( -0.584 0.789 1.744) 2.001 3.484 ( -0.606 -8.218 0.939) 8.294 3.915 ( -5.563 -0.099 -2.203) 5.984 4.269 ( 0.655 0.238 -0.764) 1.034 4.528 ( -0.629 -5.799 0.040) 5.833 4.739 ( 0.087 -6.434 -0.017) 6.435 4.929 ( 0.355 -8.235 0.975) 8.300 4.964 ( -1.010 -1.513 -1.081) 2.116 5.476 ( -0.303 1.973 1.233) 2.346 5.654 ( 0.292 3.550 -1.028) 3.707 5.749 ( -0.553 4.432 1.483) 4.706 6.331 ( 0.416 15.715 -0.917) 15.747 10.781 ( -1.448 -30.273 -0.166) 30.309 12.005 ( 0.164 3.328 0.092) 3.333 12.340 ( -0.192 -2.114 0.441) 2.168 14.857 ( -1.887 7.744 -2.488) 8.350 17.421 ( 4.354 2.725 4.005) 6.513 19.545 ( 0.390 6.312 -2.836) 6.931 ======================= Grid point 694 (323/324) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -0.000 -12.471 0.000) 12.471 1.730 ( -0.000 -2.767 -0.000) 2.767 1.885 ( -0.000 -2.921 -0.000) 2.921 1.991 ( -0.000 8.505 0.000) 8.505 2.204 ( -0.000 -10.469 0.000) 10.469 2.507 ( -0.000 -10.635 0.000) 10.635 2.658 ( -0.000 0.857 0.000) 0.857 2.954 ( -0.000 -8.261 0.000) 8.261 3.016 ( -0.000 -11.964 0.000) 11.964 3.259 ( -0.000 -1.642 0.000) 1.642 3.691 ( -0.000 -12.754 0.000) 12.754 3.910 ( -0.000 -2.174 0.000) 2.174 4.275 ( -0.000 -1.129 -0.000) 1.129 4.661 ( -0.000 -8.346 -0.000) 8.346 4.870 ( -0.000 -6.349 0.000) 6.349 4.989 ( -0.000 -3.535 0.000) 3.535 5.143 ( -0.000 -12.609 0.000) 12.609 5.430 ( -0.000 3.074 -0.000) 3.074 5.570 ( 0.000 5.060 -0.000) 5.060 5.627 ( -0.000 8.964 0.000) 8.964 6.011 ( -0.000 17.152 0.000) 17.152 11.369 ( -0.000 -27.720 0.000) 27.720 11.972 ( -0.000 -3.480 0.000) 3.480 12.379 ( -0.000 -1.459 -0.000) 1.459 14.656 ( -0.000 12.815 0.000) 12.815 17.400 ( -0.000 0.627 0.000) 0.627 19.378 ( -0.000 11.051 -0.000) 11.051 ======================= Grid point 709 (324/324) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.000 -0.000 0.000) 0.000 1.650 ( 0.000 -0.000 -0.000) 0.000 1.847 ( 0.000 -0.000 0.000) 0.000 1.991 ( 0.000 -0.000 -0.000) 0.000 2.148 ( 0.000 -0.000 0.000) 0.000 2.318 ( 0.000 -0.000 -0.000) 0.000 2.587 ( 0.000 -0.000 -0.000) 0.000 2.741 ( 0.000 -0.000 0.000) 0.000 2.830 ( 0.000 -0.000 0.000) 0.000 3.262 ( 0.000 -0.000 0.000) 0.000 3.403 ( 0.000 -0.000 -0.000) 0.000 3.898 ( 0.000 -0.000 -0.000) 0.000 4.272 ( 0.000 -0.000 0.000) 0.000 4.469 ( 0.000 -0.000 -0.000) 0.000 4.675 ( 0.000 -0.000 0.000) 0.000 4.843 ( 0.000 -0.000 0.000) 0.000 4.953 ( 0.000 -0.000 -0.000) 0.000 5.496 ( 0.000 -0.000 -0.000) 0.000 5.686 ( -0.000 0.000 0.000) 0.000 5.792 ( 0.000 -0.000 -0.000) 0.000 6.493 ( 0.000 -0.000 0.000) 0.000 10.468 ( 0.000 -0.000 0.000) 0.000 12.040 ( 0.000 -0.000 -0.000) 0.000 12.318 ( 0.000 -0.000 -0.000) 0.000 14.916 ( 0.000 -0.000 -0.000) 0.000 17.476 ( 0.000 -0.000 0.000) 0.000 19.599 ( 0.000 -0.000 0.000) 0.000 =================== 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 3/31752 10.0 1365.007 1099.027 1036.639 -0.000 357.628 -0.000 3/31752 20.0 236.257 267.596 185.973 -0.000 15.101 -0.000 3/31752 30.0 94.829 118.377 76.757 -0.000 1.619 -0.000 3/31752 40.0 53.784 71.617 44.528 -0.000 0.366 -0.000 3/31752 50.0 36.238 50.342 30.569 -0.000 0.197 -0.000 3/31752 60.0 27.044 38.667 23.150 -0.000 0.161 -0.000 3/31752 70.0 21.541 31.454 18.651 -0.000 0.143 -0.000 3/31752 80.0 17.925 26.607 15.659 -0.000 0.129 -0.000 3/31752 90.0 15.379 23.139 13.533 -0.000 0.117 -0.000 3/31752 100.0 13.492 20.535 11.945 -0.000 0.107 -0.000 3/31752 110.0 12.037 18.505 10.713 -0.000 0.098 -0.000 3/31752 120.0 10.881 16.874 9.727 -0.000 0.092 -0.000 3/31752 130.0 9.938 15.531 8.920 -0.000 0.087 -0.000 3/31752 140.0 9.155 14.403 8.245 -0.000 0.083 -0.000 3/31752 150.0 8.493 13.440 7.672 -0.000 0.080 -0.000 3/31752 160.0 7.925 12.606 7.179 -0.000 0.077 -0.000 3/31752 170.0 7.433 11.877 6.749 -0.000 0.075 -0.000 3/31752 180.0 7.002 11.232 6.371 -0.000 0.073 -0.000 3/31752 190.0 6.620 10.657 6.036 -0.000 0.072 -0.000 3/31752 200.0 6.281 10.142 5.736 -0.000 0.071 -0.000 3/31752 210.0 5.976 9.676 5.466 -0.000 0.070 -0.000 3/31752 220.0 5.701 9.252 5.222 -0.000 0.069 -0.000 3/31752 230.0 5.451 8.866 5.000 -0.000 0.068 -0.000 3/31752 240.0 5.223 8.511 4.796 -0.000 0.067 -0.000 3/31752 250.0 5.014 8.185 4.609 -0.000 0.066 -0.000 3/31752 260.0 4.822 7.883 4.437 -0.000 0.065 -0.000 3/31752 270.0 4.645 7.603 4.277 -0.000 0.064 -0.000 3/31752 280.0 4.480 7.343 4.129 -0.000 0.064 -0.000 3/31752 290.0 4.327 7.100 3.991 -0.000 0.063 -0.000 3/31752 300.0 4.185 6.873 3.863 -0.000 0.062 -0.000 3/31752 310.0 4.052 6.661 3.742 -0.000 0.061 -0.000 3/31752 320.0 3.927 6.461 3.629 -0.000 0.060 -0.000 3/31752 330.0 3.810 6.273 3.523 -0.000 0.059 -0.000 3/31752 340.0 3.700 6.096 3.422 -0.000 0.058 -0.000 3/31752 350.0 3.596 5.928 3.328 -0.000 0.058 -0.000 3/31752 360.0 3.498 5.770 3.238 -0.000 0.057 -0.000 3/31752 370.0 3.405 5.620 3.154 -0.000 0.056 -0.000 3/31752 380.0 3.317 5.478 3.073 -0.000 0.055 -0.000 3/31752 390.0 3.234 5.342 2.997 -0.000 0.054 -0.000 3/31752 400.0 3.154 5.213 2.924 -0.000 0.053 -0.000 3/31752 410.0 3.079 5.091 2.855 -0.000 0.053 -0.000 3/31752 420.0 3.007 4.974 2.789 -0.000 0.052 -0.000 3/31752 430.0 2.938 4.862 2.726 -0.000 0.051 -0.000 3/31752 440.0 2.873 4.755 2.666 -0.000 0.050 -0.000 3/31752 450.0 2.810 4.653 2.609 -0.000 0.049 -0.000 3/31752 460.0 2.750 4.555 2.554 -0.000 0.049 -0.000 3/31752 470.0 2.693 4.461 2.501 -0.000 0.048 -0.000 3/31752 480.0 2.638 4.371 2.450 -0.000 0.047 -0.000 3/31752 490.0 2.585 4.284 2.402 -0.000 0.047 -0.000 3/31752 500.0 2.534 4.201 2.355 -0.000 0.046 -0.000 3/31752 510.0 2.485 4.121 2.310 -0.000 0.045 -0.000 3/31752 520.0 2.438 4.044 2.267 -0.000 0.045 -0.000 3/31752 530.0 2.393 3.970 2.225 -0.000 0.044 -0.000 3/31752 540.0 2.349 3.898 2.185 -0.000 0.043 -0.000 3/31752 550.0 2.307 3.829 2.146 -0.000 0.043 -0.000 3/31752 560.0 2.267 3.763 2.109 -0.000 0.042 -0.000 3/31752 570.0 2.228 3.698 2.072 -0.000 0.042 -0.000 3/31752 580.0 2.190 3.636 2.038 -0.000 0.041 -0.000 3/31752 590.0 2.153 3.576 2.004 -0.000 0.040 -0.000 3/31752 600.0 2.118 3.518 1.971 -0.000 0.040 -0.000 3/31752 610.0 2.084 3.461 1.940 -0.000 0.039 -0.000 3/31752 620.0 2.051 3.407 1.909 -0.000 0.039 -0.000 3/31752 630.0 2.019 3.354 1.879 -0.000 0.038 -0.000 3/31752 640.0 1.988 3.303 1.851 -0.000 0.038 -0.000 3/31752 650.0 1.958 3.253 1.823 -0.000 0.037 -0.000 3/31752 660.0 1.928 3.205 1.796 -0.000 0.037 -0.000 3/31752 670.0 1.900 3.158 1.769 -0.000 0.036 -0.000 3/31752 680.0 1.872 3.113 1.744 -0.000 0.036 -0.000 3/31752 690.0 1.846 3.068 1.719 -0.000 0.036 -0.000 3/31752 700.0 1.820 3.026 1.695 -0.000 0.035 -0.000 3/31752 710.0 1.794 2.984 1.672 -0.000 0.035 -0.000 3/31752 720.0 1.770 2.943 1.649 -0.000 0.034 -0.000 3/31752 730.0 1.746 2.904 1.627 -0.000 0.034 -0.000 3/31752 740.0 1.723 2.865 1.605 -0.000 0.033 -0.000 3/31752 750.0 1.700 2.828 1.584 -0.000 0.033 -0.000 3/31752 760.0 1.678 2.791 1.563 -0.000 0.033 -0.000 3/31752 770.0 1.656 2.755 1.544 -0.000 0.032 -0.000 3/31752 780.0 1.635 2.721 1.524 -0.000 0.032 -0.000 3/31752 790.0 1.615 2.687 1.505 -0.000 0.032 -0.000 3/31752 800.0 1.595 2.654 1.487 -0.000 0.031 -0.000 3/31752 810.0 1.575 2.622 1.469 -0.000 0.031 -0.000 3/31752 820.0 1.556 2.590 1.451 -0.000 0.031 -0.000 3/31752 830.0 1.538 2.560 1.434 -0.000 0.030 -0.000 3/31752 840.0 1.520 2.530 1.417 -0.000 0.030 -0.000 3/31752 850.0 1.502 2.500 1.400 -0.000 0.030 -0.000 3/31752 860.0 1.485 2.472 1.384 -0.000 0.029 -0.000 3/31752 870.0 1.468 2.444 1.369 -0.000 0.029 -0.000 3/31752 880.0 1.451 2.416 1.353 -0.000 0.029 -0.000 3/31752 890.0 1.435 2.390 1.338 -0.000 0.028 -0.000 3/31752 900.0 1.420 2.364 1.324 -0.000 0.028 -0.000 3/31752 910.0 1.404 2.338 1.309 -0.000 0.028 -0.000 3/31752 920.0 1.389 2.313 1.295 -0.000 0.028 -0.000 3/31752 930.0 1.374 2.288 1.282 -0.000 0.027 -0.000 3/31752 940.0 1.360 2.264 1.268 -0.000 0.027 -0.000 3/31752 950.0 1.346 2.241 1.255 -0.000 0.027 -0.000 3/31752 960.0 1.332 2.218 1.242 -0.000 0.026 -0.000 3/31752 970.0 1.318 2.195 1.230 -0.000 0.026 -0.000 3/31752 980.0 1.305 2.173 1.217 -0.000 0.026 -0.000 3/31752 990.0 1.292 2.152 1.205 -0.000 0.026 -0.000 3/31752 1000.0 1.279 2.130 1.193 -0.000 0.025 -0.000 3/31752 Thermal conductivity related properties were written into "kappa-m14146.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:47:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|