----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:07:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.449811025000000 -4.201815705000000 0.000000000000000 b 3.449811025000000 4.201815705000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.751931160000000 Atomic positions (fractional): *1 Mg 0.35352369028348 0.07200108148938 0.25000000000000 24.305 2 Mg 0.07200108148938 0.35352369028348 0.75000000000000 24.305 3 Mg 0.64647630971652 0.92799891851062 0.75000000000000 24.305 4 Mg 0.92799891851062 0.64647630971652 0.25000000000000 24.305 *5 H 0.13261899408269 0.35511779694588 0.25000000000000 1.008 6 H 0.35511779694588 0.13261899408269 0.75000000000000 1.008 7 H 0.86738100591731 0.64488220305412 0.75000000000000 1.008 8 H 0.64488220305412 0.86738100591731 0.25000000000000 1.008 *9 H 0.72303184827673 0.27696815172327 0.01375792607299 1.008 10 H 0.27696815172327 0.72303184827673 0.98624207392702 1.008 11 H 0.72303184827673 0.27696815172327 0.48624207392702 1.008 12 H 0.27696815172327 0.72303184827673 0.51375792607298 1.008 *13 Ru 0.86944601516538 0.13055398483462 0.25000000000000 101.070 14 Ru 0.13055398483462 0.86944601516538 0.75000000000000 101.070 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.899622050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.403631409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.751931160000000 Atomic positions (fractional): *1 Mg 0.21276238588643 0.85923869560295 0.25000000000000 24.305 > 1 2 Mg 0.21276238588643 0.14076130439705 0.75000000000000 24.305 > 2 3 Mg 0.78723761411357 0.14076130439705 0.75000000000000 24.305 > 3 4 Mg 0.78723761411357 0.85923869560295 0.25000000000000 24.305 > 4 5 Mg 0.71276238588643 0.35923869560295 0.25000000000000 24.305 > 1 6 Mg 0.71276238588643 0.64076130439705 0.75000000000000 24.305 > 2 7 Mg 0.28723761411357 0.64076130439705 0.75000000000000 24.305 > 3 8 Mg 0.28723761411357 0.35923869560295 0.25000000000000 24.305 > 4 *9 H 0.24386839551428 0.11124940143159 0.25000000000000 1.008 > 5 10 H 0.24386839551428 0.88875059856840 0.75000000000000 1.008 > 6 11 H 0.75613160448572 0.88875059856840 0.75000000000000 1.008 > 7 12 H 0.75613160448572 0.11124940143159 0.25000000000000 1.008 > 8 *13 H 0.50000000000000 0.77696815172327 0.01375792607299 1.008 > 9 14 H 0.50000000000000 0.22303184827673 0.98624207392702 1.008 > 10 15 H 0.50000000000000 0.77696815172327 0.48624207392702 1.008 > 11 16 H 0.50000000000000 0.22303184827673 0.51375792607298 1.008 > 12 17 H 0.74386839551428 0.61124940143160 0.25000000000000 1.008 > 5 18 H 0.74386839551428 0.38875059856840 0.75000000000000 1.008 > 6 19 H 0.25613160448572 0.38875059856840 0.75000000000000 1.008 > 7 20 H 0.25613160448572 0.61124940143160 0.25000000000000 1.008 > 8 21 H 0.00000000000000 0.27696815172327 0.01375792607299 1.008 > 9 22 H 0.00000000000000 0.72303184827673 0.98624207392702 1.008 > 10 23 H 0.00000000000000 0.27696815172327 0.48624207392702 1.008 > 11 24 H 0.00000000000000 0.72303184827673 0.51375792607298 1.008 > 12 *25 Ru 0.50000000000000 0.63055398483462 0.25000000000000 101.070 > 13 26 Ru 0.50000000000000 0.36944601516538 0.75000000000000 101.070 > 14 27 Ru 0.00000000000000 0.13055398483462 0.25000000000000 101.070 > 13 28 Ru 0.00000000000000 0.86944601516538 0.75000000000000 101.070 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.799244099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.403631409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.503862320000000 Atomic positions (fractional): *1 Mg 0.10638119294321 0.85923869560295 0.12500000000000 24.305 > 1 2 Mg 0.60638119294321 0.85923869560295 0.12500000000000 24.305 > 1 3 Mg 0.10638119294321 0.85923869560295 0.62500000000000 24.305 > 1 4 Mg 0.60638119294321 0.85923869560295 0.62500000000000 24.305 > 1 5 Mg 0.10638119294321 0.14076130439705 0.37500000000000 24.305 > 2 6 Mg 0.60638119294321 0.14076130439705 0.37500000000000 24.305 > 2 7 Mg 0.10638119294321 0.14076130439705 0.87500000000000 24.305 > 2 8 Mg 0.60638119294321 0.14076130439705 0.87500000000000 24.305 > 2 9 Mg 0.39361880705679 0.14076130439705 0.37500000000000 24.305 > 3 10 Mg 0.89361880705679 0.14076130439705 0.37500000000000 24.305 > 3 11 Mg 0.39361880705679 0.14076130439705 0.87500000000000 24.305 > 3 12 Mg 0.89361880705679 0.14076130439705 0.87500000000000 24.305 > 3 13 Mg 0.39361880705679 0.85923869560295 0.12500000000000 24.305 > 4 14 Mg 0.89361880705679 0.85923869560295 0.12500000000000 24.305 > 4 15 Mg 0.39361880705679 0.85923869560295 0.62500000000000 24.305 > 4 16 Mg 0.89361880705679 0.85923869560295 0.62500000000000 24.305 > 4 17 Mg 0.35638119294321 0.35923869560295 0.12500000000000 24.305 > 1 18 Mg 0.85638119294321 0.35923869560295 0.12500000000000 24.305 > 1 19 Mg 0.35638119294321 0.35923869560295 0.62500000000000 24.305 > 1 20 Mg 0.85638119294321 0.35923869560295 0.62500000000000 24.305 > 1 21 Mg 0.35638119294321 0.64076130439705 0.37500000000000 24.305 > 2 22 Mg 0.85638119294321 0.64076130439705 0.37500000000000 24.305 > 2 23 Mg 0.35638119294321 0.64076130439705 0.87500000000000 24.305 > 2 24 Mg 0.85638119294321 0.64076130439705 0.87500000000000 24.305 > 2 25 Mg 0.14361880705679 0.64076130439705 0.37500000000000 24.305 > 3 26 Mg 0.64361880705679 0.64076130439705 0.37500000000000 24.305 > 3 27 Mg 0.14361880705679 0.64076130439705 0.87500000000000 24.305 > 3 28 Mg 0.64361880705679 0.64076130439705 0.87500000000000 24.305 > 3 29 Mg 0.14361880705679 0.35923869560295 0.12500000000000 24.305 > 4 30 Mg 0.64361880705679 0.35923869560295 0.12500000000000 24.305 > 4 31 Mg 0.14361880705679 0.35923869560295 0.62500000000000 24.305 > 4 32 Mg 0.64361880705679 0.35923869560295 0.62500000000000 24.305 > 4 *33 H 0.12193419775714 0.11124940143159 0.12500000000000 1.008 > 5 34 H 0.62193419775714 0.11124940143159 0.12500000000000 1.008 > 5 35 H 0.12193419775714 0.11124940143159 0.62500000000000 1.008 > 5 36 H 0.62193419775714 0.11124940143159 0.62500000000000 1.008 > 5 37 H 0.12193419775714 0.88875059856840 0.37500000000000 1.008 > 6 38 H 0.62193419775714 0.88875059856840 0.37500000000000 1.008 > 6 39 H 0.12193419775714 0.88875059856840 0.87500000000000 1.008 > 6 40 H 0.62193419775714 0.88875059856840 0.87500000000000 1.008 > 6 41 H 0.37806580224286 0.88875059856840 0.37500000000000 1.008 > 7 42 H 0.87806580224286 0.88875059856840 0.37500000000000 1.008 > 7 43 H 0.37806580224286 0.88875059856840 0.87500000000000 1.008 > 7 44 H 0.87806580224286 0.88875059856840 0.87500000000000 1.008 > 7 45 H 0.37806580224286 0.11124940143159 0.12500000000000 1.008 > 8 46 H 0.87806580224286 0.11124940143159 0.12500000000000 1.008 > 8 47 H 0.37806580224286 0.11124940143159 0.62500000000000 1.008 > 8 48 H 0.87806580224286 0.11124940143159 0.62500000000000 1.008 > 8 *49 H 0.25000000000000 0.77696815172327 0.00687896303649 1.008 > 9 50 H 0.75000000000000 0.77696815172327 0.00687896303649 1.008 > 9 51 H 0.25000000000000 0.77696815172327 0.50687896303649 1.008 > 9 52 H 0.75000000000000 0.77696815172327 0.50687896303649 1.008 > 9 53 H 0.25000000000000 0.22303184827673 0.49312103696351 1.008 > 10 54 H 0.75000000000000 0.22303184827673 0.49312103696351 1.008 > 10 55 H 0.25000000000000 0.22303184827673 0.99312103696351 1.008 > 10 56 H 0.75000000000000 0.22303184827673 0.99312103696351 1.008 > 10 57 H 0.25000000000000 0.77696815172327 0.24312103696351 1.008 > 11 58 H 0.75000000000000 0.77696815172327 0.24312103696351 1.008 > 11 59 H 0.25000000000000 0.77696815172327 0.74312103696351 1.008 > 11 60 H 0.75000000000000 0.77696815172327 0.74312103696351 1.008 > 11 61 H 0.25000000000000 0.22303184827673 0.25687896303649 1.008 > 12 62 H 0.75000000000000 0.22303184827673 0.25687896303649 1.008 > 12 63 H 0.25000000000000 0.22303184827673 0.75687896303649 1.008 > 12 64 H 0.75000000000000 0.22303184827673 0.75687896303649 1.008 > 12 65 H 0.37193419775714 0.61124940143160 0.12500000000000 1.008 > 5 66 H 0.87193419775714 0.61124940143160 0.12500000000000 1.008 > 5 67 H 0.37193419775714 0.61124940143160 0.62500000000000 1.008 > 5 68 H 0.87193419775714 0.61124940143160 0.62500000000000 1.008 > 5 69 H 0.37193419775714 0.38875059856840 0.37500000000000 1.008 > 6 70 H 0.87193419775714 0.38875059856840 0.37500000000000 1.008 > 6 71 H 0.37193419775714 0.38875059856840 0.87500000000000 1.008 > 6 72 H 0.87193419775714 0.38875059856840 0.87500000000000 1.008 > 6 73 H 0.12806580224286 0.38875059856840 0.37500000000000 1.008 > 7 74 H 0.62806580224286 0.38875059856840 0.37500000000000 1.008 > 7 75 H 0.12806580224286 0.38875059856840 0.87500000000000 1.008 > 7 76 H 0.62806580224286 0.38875059856840 0.87500000000000 1.008 > 7 77 H 0.12806580224286 0.61124940143160 0.12500000000000 1.008 > 8 78 H 0.62806580224286 0.61124940143160 0.12500000000000 1.008 > 8 79 H 0.12806580224286 0.61124940143160 0.62500000000000 1.008 > 8 80 H 0.62806580224286 0.61124940143160 0.62500000000000 1.008 > 8 81 H 0.00000000000000 0.27696815172327 0.00687896303649 1.008 > 9 82 H 0.50000000000000 0.27696815172327 0.00687896303649 1.008 > 9 83 H 0.00000000000000 0.27696815172327 0.50687896303649 1.008 > 9 84 H 0.50000000000000 0.27696815172327 0.50687896303649 1.008 > 9 85 H 0.00000000000000 0.72303184827673 0.49312103696351 1.008 > 10 86 H 0.50000000000000 0.72303184827673 0.49312103696351 1.008 > 10 87 H 0.00000000000000 0.72303184827673 0.99312103696351 1.008 > 10 88 H 0.50000000000000 0.72303184827673 0.99312103696351 1.008 > 10 89 H 0.00000000000000 0.27696815172327 0.24312103696351 1.008 > 11 90 H 0.50000000000000 0.27696815172327 0.24312103696351 1.008 > 11 91 H 0.00000000000000 0.27696815172327 0.74312103696351 1.008 > 11 92 H 0.50000000000000 0.27696815172327 0.74312103696351 1.008 > 11 93 H 0.00000000000000 0.72303184827673 0.25687896303649 1.008 > 12 94 H 0.50000000000000 0.72303184827673 0.25687896303649 1.008 > 12 95 H 0.00000000000000 0.72303184827673 0.75687896303649 1.008 > 12 96 H 0.50000000000000 0.72303184827673 0.75687896303649 1.008 > 12 *97 Ru 0.25000000000000 0.63055398483462 0.12500000000000 101.070 > 13 98 Ru 0.75000000000000 0.63055398483462 0.12500000000000 101.070 > 13 99 Ru 0.25000000000000 0.63055398483462 0.62500000000000 101.070 > 13 100 Ru 0.75000000000000 0.63055398483462 0.62500000000000 101.070 > 13 101 Ru 0.25000000000000 0.36944601516538 0.37500000000000 101.070 > 14 102 Ru 0.75000000000000 0.36944601516538 0.37500000000000 101.070 > 14 103 Ru 0.25000000000000 0.36944601516538 0.87500000000000 101.070 > 14 104 Ru 0.75000000000000 0.36944601516538 0.87500000000000 101.070 > 14 105 Ru 0.00000000000000 0.13055398483462 0.12500000000000 101.070 > 13 106 Ru 0.50000000000000 0.13055398483462 0.12500000000000 101.070 > 13 107 Ru 0.00000000000000 0.13055398483462 0.62500000000000 101.070 > 13 108 Ru 0.50000000000000 0.13055398483462 0.62500000000000 101.070 > 13 109 Ru 0.00000000000000 0.86944601516538 0.37500000000000 101.070 > 14 110 Ru 0.50000000000000 0.86944601516538 0.37500000000000 101.070 > 14 111 Ru 0.00000000000000 0.86944601516538 0.87500000000000 101.070 > 14 112 Ru 0.50000000000000 0.86944601516538 0.87500000000000 101.070 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8950562 0.0000000 0.0000000 0.0000000 6.7271237 0.0000000 0.0000000 0.0000000 8.0947342 -------------------------- Born effective charges -------------------------- 1 Mg 1.8647054 -0.7793988 0.0000000 -1.0344522 1.7874173 0.0000000 0.0000000 0.0000000 2.1237593 2 Mg 1.8647054 0.7793988 0.0000000 1.0344522 1.7874173 0.0000000 0.0000000 0.0000000 2.1237593 3 Mg 1.8647054 -0.7793988 0.0000000 -1.0344522 1.7874173 0.0000000 0.0000000 0.0000000 2.1237593 4 Mg 1.8647054 0.7793988 0.0000000 1.0344522 1.7874173 0.0000000 0.0000000 0.0000000 2.1237593 5 H -0.6975377 0.0549351 0.0000000 -0.0468043 0.1445727 0.0000000 0.0000000 0.0000000 0.3139925 6 H -0.6975377 -0.0549351 0.0000000 0.0468043 0.1445727 0.0000000 0.0000000 0.0000000 0.3139925 7 H -0.6975377 0.0549351 0.0000000 -0.0468043 0.1445727 0.0000000 0.0000000 0.0000000 0.3139925 8 H -0.6975377 -0.0549351 0.0000000 0.0468043 0.1445727 0.0000000 0.0000000 0.0000000 0.3139925 9 H -0.0037329 0.0000000 0.0000000 0.0000000 -0.3838471 0.5465233 0.0000000 0.6087293 -0.3465106 10 H -0.0037329 0.0000000 0.0000000 0.0000000 -0.3838471 0.5465233 0.0000000 0.6087293 -0.3465106 11 H -0.0037329 0.0000000 0.0000000 0.0000000 -0.3838471 -0.5465233 0.0000000 -0.6087293 -0.3465106 12 H -0.0037329 0.0000000 0.0000000 0.0000000 -0.3838471 -0.5465233 0.0000000 -0.6087293 -0.3465106 13 Ru -2.3268696 0.0000000 0.0000000 0.0000000 -3.0962859 0.0000000 0.0000000 0.0000000 -4.1824822 14 Ru -2.3268696 0.0000000 0.0000000 0.0000000 -3.0962859 0.0000000 0.0000000 0.0000000 -4.1824822 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1011 Number of blocks in projector: 1011 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: 227 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 129 Use standard eigh solver. Tree of FC basis block matrices: - (1011, 993), data: False |-- (129, 129), data: True |-- (163, 161), data: True |-- (164, 160), data: True |-- (164, 160), data: True |-- (164, 160), data: True |-- (227, 223), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.069 Solver_block: 200 / 240 - Time: 1.058 Solver_block: 240 / 240 - Time: 0.489 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.633 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1011 Number of blocks in projector: 1011 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: 227 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 129 Use standard eigh solver. Tree of FC basis block matrices: - (1011, 993), data: False |-- (129, 129), data: True |-- (163, 161), data: True |-- (164, 160), data: True |-- (164, 160), data: True |-- (164, 160), data: True |-- (227, 223), 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 21:07:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:07:47]------------------------- 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): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.449811025000000 -4.201815705000000 0.000000000000000 b 3.449811025000000 4.201815705000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.751931160000000 Atomic positions (fractional): 1 Mg 0.35352369028348 0.07200108148938 0.25000000000000 24.305 2 Mg 0.07200108148938 0.35352369028348 0.75000000000000 24.305 3 Mg 0.64647630971652 0.92799891851062 0.75000000000000 24.305 4 Mg 0.92799891851062 0.64647630971652 0.25000000000000 24.305 5 H 0.13261899408269 0.35511779694588 0.25000000000000 1.008 6 H 0.35511779694588 0.13261899408269 0.75000000000000 1.008 7 H 0.86738100591731 0.64488220305412 0.75000000000000 1.008 8 H 0.64488220305412 0.86738100591731 0.25000000000000 1.008 9 H 0.72303184827673 0.27696815172327 0.01375792607299 1.008 10 H 0.27696815172327 0.72303184827673 0.98624207392702 1.008 11 H 0.72303184827673 0.27696815172327 0.48624207392702 1.008 12 H 0.27696815172327 0.72303184827673 0.51375792607298 1.008 13 Ru 0.86944601516538 0.13055398483462 0.25000000000000 101.070 14 Ru 0.13055398483462 0.86944601516538 0.75000000000000 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.799244099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.403631409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.503862320000000 Atomic positions (fractional): 1 Mg 0.10638119294321 0.85923869560295 0.12500000000000 24.305 > 1 2 Mg 0.60638119294321 0.85923869560295 0.12500000000000 24.305 > 1 3 Mg 0.10638119294321 0.85923869560295 0.62500000000000 24.305 > 1 4 Mg 0.60638119294321 0.85923869560295 0.62500000000000 24.305 > 1 5 Mg 0.10638119294321 0.14076130439705 0.37500000000000 24.305 > 5 6 Mg 0.60638119294321 0.14076130439705 0.37500000000000 24.305 > 5 7 Mg 0.10638119294321 0.14076130439705 0.87500000000000 24.305 > 5 8 Mg 0.60638119294321 0.14076130439705 0.87500000000000 24.305 > 5 9 Mg 0.39361880705679 0.14076130439705 0.37500000000000 24.305 > 9 10 Mg 0.89361880705679 0.14076130439705 0.37500000000000 24.305 > 9 11 Mg 0.39361880705679 0.14076130439705 0.87500000000000 24.305 > 9 12 Mg 0.89361880705679 0.14076130439705 0.87500000000000 24.305 > 9 13 Mg 0.39361880705679 0.85923869560295 0.12500000000000 24.305 > 13 14 Mg 0.89361880705679 0.85923869560295 0.12500000000000 24.305 > 13 15 Mg 0.39361880705679 0.85923869560295 0.62500000000000 24.305 > 13 16 Mg 0.89361880705679 0.85923869560295 0.62500000000000 24.305 > 13 17 Mg 0.35638119294321 0.35923869560295 0.12500000000000 24.305 > 1 18 Mg 0.85638119294321 0.35923869560295 0.12500000000000 24.305 > 1 19 Mg 0.35638119294321 0.35923869560295 0.62500000000000 24.305 > 1 20 Mg 0.85638119294321 0.35923869560295 0.62500000000000 24.305 > 1 21 Mg 0.35638119294321 0.64076130439705 0.37500000000000 24.305 > 5 22 Mg 0.85638119294321 0.64076130439705 0.37500000000000 24.305 > 5 23 Mg 0.35638119294321 0.64076130439705 0.87500000000000 24.305 > 5 24 Mg 0.85638119294321 0.64076130439705 0.87500000000000 24.305 > 5 25 Mg 0.14361880705679 0.64076130439705 0.37500000000000 24.305 > 9 26 Mg 0.64361880705679 0.64076130439705 0.37500000000000 24.305 > 9 27 Mg 0.14361880705679 0.64076130439705 0.87500000000000 24.305 > 9 28 Mg 0.64361880705679 0.64076130439705 0.87500000000000 24.305 > 9 29 Mg 0.14361880705679 0.35923869560295 0.12500000000000 24.305 > 13 30 Mg 0.64361880705679 0.35923869560295 0.12500000000000 24.305 > 13 31 Mg 0.14361880705679 0.35923869560295 0.62500000000000 24.305 > 13 32 Mg 0.64361880705679 0.35923869560295 0.62500000000000 24.305 > 13 33 H 0.12193419775714 0.11124940143159 0.12500000000000 1.008 > 33 34 H 0.62193419775714 0.11124940143159 0.12500000000000 1.008 > 33 35 H 0.12193419775714 0.11124940143159 0.62500000000000 1.008 > 33 36 H 0.62193419775714 0.11124940143159 0.62500000000000 1.008 > 33 37 H 0.12193419775714 0.88875059856840 0.37500000000000 1.008 > 37 38 H 0.62193419775714 0.88875059856840 0.37500000000000 1.008 > 37 39 H 0.12193419775714 0.88875059856840 0.87500000000000 1.008 > 37 40 H 0.62193419775714 0.88875059856840 0.87500000000000 1.008 > 37 41 H 0.37806580224286 0.88875059856840 0.37500000000000 1.008 > 41 42 H 0.87806580224286 0.88875059856840 0.37500000000000 1.008 > 41 43 H 0.37806580224286 0.88875059856840 0.87500000000000 1.008 > 41 44 H 0.87806580224286 0.88875059856840 0.87500000000000 1.008 > 41 45 H 0.37806580224286 0.11124940143159 0.12500000000000 1.008 > 45 46 H 0.87806580224286 0.11124940143159 0.12500000000000 1.008 > 45 47 H 0.37806580224286 0.11124940143159 0.62500000000000 1.008 > 45 48 H 0.87806580224286 0.11124940143159 0.62500000000000 1.008 > 45 49 H 0.25000000000000 0.77696815172327 0.00687896303649 1.008 > 49 50 H 0.75000000000000 0.77696815172327 0.00687896303649 1.008 > 49 51 H 0.25000000000000 0.77696815172327 0.50687896303649 1.008 > 49 52 H 0.75000000000000 0.77696815172327 0.50687896303649 1.008 > 49 53 H 0.25000000000000 0.22303184827673 0.49312103696351 1.008 > 53 54 H 0.75000000000000 0.22303184827673 0.49312103696351 1.008 > 53 55 H 0.25000000000000 0.22303184827673 0.99312103696351 1.008 > 53 56 H 0.75000000000000 0.22303184827673 0.99312103696351 1.008 > 53 57 H 0.25000000000000 0.77696815172327 0.24312103696351 1.008 > 57 58 H 0.75000000000000 0.77696815172327 0.24312103696351 1.008 > 57 59 H 0.25000000000000 0.77696815172327 0.74312103696351 1.008 > 57 60 H 0.75000000000000 0.77696815172327 0.74312103696351 1.008 > 57 61 H 0.25000000000000 0.22303184827673 0.25687896303649 1.008 > 61 62 H 0.75000000000000 0.22303184827673 0.25687896303649 1.008 > 61 63 H 0.25000000000000 0.22303184827673 0.75687896303649 1.008 > 61 64 H 0.75000000000000 0.22303184827673 0.75687896303649 1.008 > 61 65 H 0.37193419775714 0.61124940143160 0.12500000000000 1.008 > 33 66 H 0.87193419775714 0.61124940143160 0.12500000000000 1.008 > 33 67 H 0.37193419775714 0.61124940143160 0.62500000000000 1.008 > 33 68 H 0.87193419775714 0.61124940143160 0.62500000000000 1.008 > 33 69 H 0.37193419775714 0.38875059856840 0.37500000000000 1.008 > 37 70 H 0.87193419775714 0.38875059856840 0.37500000000000 1.008 > 37 71 H 0.37193419775714 0.38875059856840 0.87500000000000 1.008 > 37 72 H 0.87193419775714 0.38875059856840 0.87500000000000 1.008 > 37 73 H 0.12806580224286 0.38875059856840 0.37500000000000 1.008 > 41 74 H 0.62806580224286 0.38875059856840 0.37500000000000 1.008 > 41 75 H 0.12806580224286 0.38875059856840 0.87500000000000 1.008 > 41 76 H 0.62806580224286 0.38875059856840 0.87500000000000 1.008 > 41 77 H 0.12806580224286 0.61124940143160 0.12500000000000 1.008 > 45 78 H 0.62806580224286 0.61124940143160 0.12500000000000 1.008 > 45 79 H 0.12806580224286 0.61124940143160 0.62500000000000 1.008 > 45 80 H 0.62806580224286 0.61124940143160 0.62500000000000 1.008 > 45 81 H 0.00000000000000 0.27696815172327 0.00687896303649 1.008 > 49 82 H 0.50000000000000 0.27696815172327 0.00687896303649 1.008 > 49 83 H 0.00000000000000 0.27696815172327 0.50687896303649 1.008 > 49 84 H 0.50000000000000 0.27696815172327 0.50687896303649 1.008 > 49 85 H 0.00000000000000 0.72303184827673 0.49312103696351 1.008 > 53 86 H 0.50000000000000 0.72303184827673 0.49312103696351 1.008 > 53 87 H 0.00000000000000 0.72303184827673 0.99312103696351 1.008 > 53 88 H 0.50000000000000 0.72303184827673 0.99312103696351 1.008 > 53 89 H 0.00000000000000 0.27696815172327 0.24312103696351 1.008 > 57 90 H 0.50000000000000 0.27696815172327 0.24312103696351 1.008 > 57 91 H 0.00000000000000 0.27696815172327 0.74312103696351 1.008 > 57 92 H 0.50000000000000 0.27696815172327 0.74312103696351 1.008 > 57 93 H 0.00000000000000 0.72303184827673 0.25687896303649 1.008 > 61 94 H 0.50000000000000 0.72303184827673 0.25687896303649 1.008 > 61 95 H 0.00000000000000 0.72303184827673 0.75687896303649 1.008 > 61 96 H 0.50000000000000 0.72303184827673 0.75687896303649 1.008 > 61 97 Ru 0.25000000000000 0.63055398483462 0.12500000000000 101.070 > 97 98 Ru 0.75000000000000 0.63055398483462 0.12500000000000 101.070 > 97 99 Ru 0.25000000000000 0.63055398483462 0.62500000000000 101.070 > 97 100 Ru 0.75000000000000 0.63055398483462 0.62500000000000 101.070 > 97 101 Ru 0.25000000000000 0.36944601516538 0.37500000000000 101.070 > 101 102 Ru 0.75000000000000 0.36944601516538 0.37500000000000 101.070 > 101 103 Ru 0.25000000000000 0.36944601516538 0.87500000000000 101.070 > 101 104 Ru 0.75000000000000 0.36944601516538 0.87500000000000 101.070 > 101 105 Ru 0.00000000000000 0.13055398483462 0.12500000000000 101.070 > 97 106 Ru 0.50000000000000 0.13055398483462 0.12500000000000 101.070 > 97 107 Ru 0.00000000000000 0.13055398483462 0.62500000000000 101.070 > 97 108 Ru 0.50000000000000 0.13055398483462 0.62500000000000 101.070 > 97 109 Ru 0.00000000000000 0.86944601516538 0.37500000000000 101.070 > 101 110 Ru 0.50000000000000 0.86944601516538 0.37500000000000 101.070 > 101 111 Ru 0.00000000000000 0.86944601516538 0.87500000000000 101.070 > 101 112 Ru 0.50000000000000 0.86944601516538 0.87500000000000 101.070 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8950562 0.0000000 0.0000000 0.0000000 6.7271237 0.0000000 0.0000000 0.0000000 8.0947342 -------------------------- Born effective charges -------------------------- 1 Mg 1.8647054 -0.7793988 0.0000000 -1.0344522 1.7874173 0.0000000 0.0000000 0.0000000 2.1237593 2 Mg 1.8647054 0.7793988 0.0000000 1.0344522 1.7874173 0.0000000 0.0000000 0.0000000 2.1237593 3 Mg 1.8647054 -0.7793988 0.0000000 -1.0344522 1.7874173 0.0000000 0.0000000 0.0000000 2.1237593 4 Mg 1.8647054 0.7793988 0.0000000 1.0344522 1.7874173 0.0000000 0.0000000 0.0000000 2.1237593 5 H -0.6975377 0.0549351 0.0000000 -0.0468043 0.1445727 0.0000000 0.0000000 0.0000000 0.3139925 6 H -0.6975377 -0.0549351 0.0000000 0.0468043 0.1445727 0.0000000 0.0000000 0.0000000 0.3139925 7 H -0.6975377 0.0549351 0.0000000 -0.0468043 0.1445727 0.0000000 0.0000000 0.0000000 0.3139925 8 H -0.6975377 -0.0549351 0.0000000 0.0468043 0.1445727 0.0000000 0.0000000 0.0000000 0.3139925 9 H -0.0037329 0.0000000 0.0000000 0.0000000 -0.3838471 0.5465233 0.0000000 0.6087293 -0.3465106 10 H -0.0037329 0.0000000 0.0000000 0.0000000 -0.3838471 0.5465233 0.0000000 0.6087293 -0.3465106 11 H -0.0037329 0.0000000 0.0000000 0.0000000 -0.3838471 -0.5465233 0.0000000 -0.6087293 -0.3465106 12 H -0.0037329 0.0000000 0.0000000 0.0000000 -0.3838471 -0.5465233 0.0000000 -0.6087293 -0.3465106 13 Ru -2.3268696 0.0000000 0.0000000 0.0000000 -3.0962859 0.0000000 0.0000000 0.0000000 -4.1824822 14 Ru -2.3268696 0.0000000 0.0000000 0.0000000 -3.0962859 0.0000000 0.0000000 0.0000000 -4.1824822 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zyz) -0.00000001 (zyz) -0.00000001 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) 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 21:08:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:08:00]------------------------- 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): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.449811025000000 -4.201815705000000 0.000000000000000 b 3.449811025000000 4.201815705000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.751931160000000 Atomic positions (fractional): 1 Mg 0.35352369028348 0.07200108148938 0.25000000000000 24.305 2 Mg 0.07200108148938 0.35352369028348 0.75000000000000 24.305 3 Mg 0.64647630971652 0.92799891851062 0.75000000000000 24.305 4 Mg 0.92799891851062 0.64647630971652 0.25000000000000 24.305 5 H 0.13261899408269 0.35511779694588 0.25000000000000 1.008 6 H 0.35511779694588 0.13261899408269 0.75000000000000 1.008 7 H 0.86738100591731 0.64488220305412 0.75000000000000 1.008 8 H 0.64488220305412 0.86738100591731 0.25000000000000 1.008 9 H 0.72303184827673 0.27696815172327 0.01375792607299 1.008 10 H 0.27696815172327 0.72303184827673 0.98624207392702 1.008 11 H 0.72303184827673 0.27696815172327 0.48624207392702 1.008 12 H 0.27696815172327 0.72303184827673 0.51375792607298 1.008 13 Ru 0.86944601516538 0.13055398483462 0.25000000000000 101.070 14 Ru 0.13055398483462 0.86944601516538 0.75000000000000 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.799244099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.403631409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.503862320000000 Atomic positions (fractional): 1 Mg 0.10638119294321 0.85923869560295 0.12500000000000 24.305 > 1 2 Mg 0.60638119294321 0.85923869560295 0.12500000000000 24.305 > 1 3 Mg 0.10638119294321 0.85923869560295 0.62500000000000 24.305 > 1 4 Mg 0.60638119294321 0.85923869560295 0.62500000000000 24.305 > 1 5 Mg 0.10638119294321 0.14076130439705 0.37500000000000 24.305 > 5 6 Mg 0.60638119294321 0.14076130439705 0.37500000000000 24.305 > 5 7 Mg 0.10638119294321 0.14076130439705 0.87500000000000 24.305 > 5 8 Mg 0.60638119294321 0.14076130439705 0.87500000000000 24.305 > 5 9 Mg 0.39361880705679 0.14076130439705 0.37500000000000 24.305 > 9 10 Mg 0.89361880705679 0.14076130439705 0.37500000000000 24.305 > 9 11 Mg 0.39361880705679 0.14076130439705 0.87500000000000 24.305 > 9 12 Mg 0.89361880705679 0.14076130439705 0.87500000000000 24.305 > 9 13 Mg 0.39361880705679 0.85923869560295 0.12500000000000 24.305 > 13 14 Mg 0.89361880705679 0.85923869560295 0.12500000000000 24.305 > 13 15 Mg 0.39361880705679 0.85923869560295 0.62500000000000 24.305 > 13 16 Mg 0.89361880705679 0.85923869560295 0.62500000000000 24.305 > 13 17 Mg 0.35638119294321 0.35923869560295 0.12500000000000 24.305 > 1 18 Mg 0.85638119294321 0.35923869560295 0.12500000000000 24.305 > 1 19 Mg 0.35638119294321 0.35923869560295 0.62500000000000 24.305 > 1 20 Mg 0.85638119294321 0.35923869560295 0.62500000000000 24.305 > 1 21 Mg 0.35638119294321 0.64076130439705 0.37500000000000 24.305 > 5 22 Mg 0.85638119294321 0.64076130439705 0.37500000000000 24.305 > 5 23 Mg 0.35638119294321 0.64076130439705 0.87500000000000 24.305 > 5 24 Mg 0.85638119294321 0.64076130439705 0.87500000000000 24.305 > 5 25 Mg 0.14361880705679 0.64076130439705 0.37500000000000 24.305 > 9 26 Mg 0.64361880705679 0.64076130439705 0.37500000000000 24.305 > 9 27 Mg 0.14361880705679 0.64076130439705 0.87500000000000 24.305 > 9 28 Mg 0.64361880705679 0.64076130439705 0.87500000000000 24.305 > 9 29 Mg 0.14361880705679 0.35923869560295 0.12500000000000 24.305 > 13 30 Mg 0.64361880705679 0.35923869560295 0.12500000000000 24.305 > 13 31 Mg 0.14361880705679 0.35923869560295 0.62500000000000 24.305 > 13 32 Mg 0.64361880705679 0.35923869560295 0.62500000000000 24.305 > 13 33 H 0.12193419775714 0.11124940143159 0.12500000000000 1.008 > 33 34 H 0.62193419775714 0.11124940143159 0.12500000000000 1.008 > 33 35 H 0.12193419775714 0.11124940143159 0.62500000000000 1.008 > 33 36 H 0.62193419775714 0.11124940143159 0.62500000000000 1.008 > 33 37 H 0.12193419775714 0.88875059856840 0.37500000000000 1.008 > 37 38 H 0.62193419775714 0.88875059856840 0.37500000000000 1.008 > 37 39 H 0.12193419775714 0.88875059856840 0.87500000000000 1.008 > 37 40 H 0.62193419775714 0.88875059856840 0.87500000000000 1.008 > 37 41 H 0.37806580224286 0.88875059856840 0.37500000000000 1.008 > 41 42 H 0.87806580224286 0.88875059856840 0.37500000000000 1.008 > 41 43 H 0.37806580224286 0.88875059856840 0.87500000000000 1.008 > 41 44 H 0.87806580224286 0.88875059856840 0.87500000000000 1.008 > 41 45 H 0.37806580224286 0.11124940143159 0.12500000000000 1.008 > 45 46 H 0.87806580224286 0.11124940143159 0.12500000000000 1.008 > 45 47 H 0.37806580224286 0.11124940143159 0.62500000000000 1.008 > 45 48 H 0.87806580224286 0.11124940143159 0.62500000000000 1.008 > 45 49 H 0.25000000000000 0.77696815172327 0.00687896303649 1.008 > 49 50 H 0.75000000000000 0.77696815172327 0.00687896303649 1.008 > 49 51 H 0.25000000000000 0.77696815172327 0.50687896303649 1.008 > 49 52 H 0.75000000000000 0.77696815172327 0.50687896303649 1.008 > 49 53 H 0.25000000000000 0.22303184827673 0.49312103696351 1.008 > 53 54 H 0.75000000000000 0.22303184827673 0.49312103696351 1.008 > 53 55 H 0.25000000000000 0.22303184827673 0.99312103696351 1.008 > 53 56 H 0.75000000000000 0.22303184827673 0.99312103696351 1.008 > 53 57 H 0.25000000000000 0.77696815172327 0.24312103696351 1.008 > 57 58 H 0.75000000000000 0.77696815172327 0.24312103696351 1.008 > 57 59 H 0.25000000000000 0.77696815172327 0.74312103696351 1.008 > 57 60 H 0.75000000000000 0.77696815172327 0.74312103696351 1.008 > 57 61 H 0.25000000000000 0.22303184827673 0.25687896303649 1.008 > 61 62 H 0.75000000000000 0.22303184827673 0.25687896303649 1.008 > 61 63 H 0.25000000000000 0.22303184827673 0.75687896303649 1.008 > 61 64 H 0.75000000000000 0.22303184827673 0.75687896303649 1.008 > 61 65 H 0.37193419775714 0.61124940143160 0.12500000000000 1.008 > 33 66 H 0.87193419775714 0.61124940143160 0.12500000000000 1.008 > 33 67 H 0.37193419775714 0.61124940143160 0.62500000000000 1.008 > 33 68 H 0.87193419775714 0.61124940143160 0.62500000000000 1.008 > 33 69 H 0.37193419775714 0.38875059856840 0.37500000000000 1.008 > 37 70 H 0.87193419775714 0.38875059856840 0.37500000000000 1.008 > 37 71 H 0.37193419775714 0.38875059856840 0.87500000000000 1.008 > 37 72 H 0.87193419775714 0.38875059856840 0.87500000000000 1.008 > 37 73 H 0.12806580224286 0.38875059856840 0.37500000000000 1.008 > 41 74 H 0.62806580224286 0.38875059856840 0.37500000000000 1.008 > 41 75 H 0.12806580224286 0.38875059856840 0.87500000000000 1.008 > 41 76 H 0.62806580224286 0.38875059856840 0.87500000000000 1.008 > 41 77 H 0.12806580224286 0.61124940143160 0.12500000000000 1.008 > 45 78 H 0.62806580224286 0.61124940143160 0.12500000000000 1.008 > 45 79 H 0.12806580224286 0.61124940143160 0.62500000000000 1.008 > 45 80 H 0.62806580224286 0.61124940143160 0.62500000000000 1.008 > 45 81 H 0.00000000000000 0.27696815172327 0.00687896303649 1.008 > 49 82 H 0.50000000000000 0.27696815172327 0.00687896303649 1.008 > 49 83 H 0.00000000000000 0.27696815172327 0.50687896303649 1.008 > 49 84 H 0.50000000000000 0.27696815172327 0.50687896303649 1.008 > 49 85 H 0.00000000000000 0.72303184827673 0.49312103696351 1.008 > 53 86 H 0.50000000000000 0.72303184827673 0.49312103696351 1.008 > 53 87 H 0.00000000000000 0.72303184827673 0.99312103696351 1.008 > 53 88 H 0.50000000000000 0.72303184827673 0.99312103696351 1.008 > 53 89 H 0.00000000000000 0.27696815172327 0.24312103696351 1.008 > 57 90 H 0.50000000000000 0.27696815172327 0.24312103696351 1.008 > 57 91 H 0.00000000000000 0.27696815172327 0.74312103696351 1.008 > 57 92 H 0.50000000000000 0.27696815172327 0.74312103696351 1.008 > 57 93 H 0.00000000000000 0.72303184827673 0.25687896303649 1.008 > 61 94 H 0.50000000000000 0.72303184827673 0.25687896303649 1.008 > 61 95 H 0.00000000000000 0.72303184827673 0.75687896303649 1.008 > 61 96 H 0.50000000000000 0.72303184827673 0.75687896303649 1.008 > 61 97 Ru 0.25000000000000 0.63055398483462 0.12500000000000 101.070 > 97 98 Ru 0.75000000000000 0.63055398483462 0.12500000000000 101.070 > 97 99 Ru 0.25000000000000 0.63055398483462 0.62500000000000 101.070 > 97 100 Ru 0.75000000000000 0.63055398483462 0.62500000000000 101.070 > 97 101 Ru 0.25000000000000 0.36944601516538 0.37500000000000 101.070 > 101 102 Ru 0.75000000000000 0.36944601516538 0.37500000000000 101.070 > 101 103 Ru 0.25000000000000 0.36944601516538 0.87500000000000 101.070 > 101 104 Ru 0.75000000000000 0.36944601516538 0.87500000000000 101.070 > 101 105 Ru 0.00000000000000 0.13055398483462 0.12500000000000 101.070 > 97 106 Ru 0.50000000000000 0.13055398483462 0.12500000000000 101.070 > 97 107 Ru 0.00000000000000 0.13055398483462 0.62500000000000 101.070 > 97 108 Ru 0.50000000000000 0.13055398483462 0.62500000000000 101.070 > 97 109 Ru 0.00000000000000 0.86944601516538 0.37500000000000 101.070 > 101 110 Ru 0.50000000000000 0.86944601516538 0.37500000000000 101.070 > 101 111 Ru 0.00000000000000 0.86944601516538 0.87500000000000 101.070 > 101 112 Ru 0.50000000000000 0.86944601516538 0.87500000000000 101.070 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.8950562 0.0000000 0.0000000 0.0000000 6.7271237 0.0000000 0.0000000 0.0000000 8.0947342 -------------------------- Born effective charges -------------------------- 1 Mg 1.8647054 -0.7793988 0.0000000 -1.0344522 1.7874173 0.0000000 0.0000000 0.0000000 2.1237593 2 Mg 1.8647054 0.7793988 0.0000000 1.0344522 1.7874173 0.0000000 0.0000000 0.0000000 2.1237593 3 Mg 1.8647054 -0.7793988 0.0000000 -1.0344522 1.7874173 0.0000000 0.0000000 0.0000000 2.1237593 4 Mg 1.8647054 0.7793988 0.0000000 1.0344522 1.7874173 0.0000000 0.0000000 0.0000000 2.1237593 5 H -0.6975377 0.0549351 0.0000000 -0.0468043 0.1445727 0.0000000 0.0000000 0.0000000 0.3139925 6 H -0.6975377 -0.0549351 0.0000000 0.0468043 0.1445727 0.0000000 0.0000000 0.0000000 0.3139925 7 H -0.6975377 0.0549351 0.0000000 -0.0468043 0.1445727 0.0000000 0.0000000 0.0000000 0.3139925 8 H -0.6975377 -0.0549351 0.0000000 0.0468043 0.1445727 0.0000000 0.0000000 0.0000000 0.3139925 9 H -0.0037329 0.0000000 0.0000000 0.0000000 -0.3838471 0.5465233 0.0000000 0.6087293 -0.3465106 10 H -0.0037329 0.0000000 0.0000000 0.0000000 -0.3838471 0.5465233 0.0000000 0.6087293 -0.3465106 11 H -0.0037329 0.0000000 0.0000000 0.0000000 -0.3838471 -0.5465233 0.0000000 -0.6087293 -0.3465106 12 H -0.0037329 0.0000000 0.0000000 0.0000000 -0.3838471 -0.5465233 0.0000000 -0.6087293 -0.3465106 13 Ru -2.3268696 0.0000000 0.0000000 0.0000000 -3.0962859 0.0000000 0.0000000 0.0000000 -4.1824822 14 Ru -2.3268696 0.0000000 0.0000000 0.0000000 -3.0962859 0.0000000 0.0000000 0.0000000 -4.1824822 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zyz) -0.00000001 (zyz) -0.00000001 (zzy) 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 ... [ 9 9 11 ] 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: 0.80, Number of G-points: 305, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/150) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 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 4.554 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.816 ( 0.000 0.000 0.000) 0.000 7.034 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 8.315 ( 0.000 0.000 0.000) 0.000 8.773 ( 0.000 0.000 0.000) 0.000 9.028 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 9.590 ( 0.000 0.000 0.000) 0.000 12.096 ( 0.000 0.000 0.000) 0.000 14.443 ( 0.000 0.000 0.000) 0.000 15.434 ( 0.000 0.000 0.000) 0.000 17.061 ( 0.000 0.000 0.000) 0.000 18.911 ( 0.000 0.000 0.000) 0.000 19.218 ( 0.000 0.000 0.000) 0.000 19.291 ( 0.000 0.000 0.000) 0.000 20.298 ( 0.000 0.000 0.000) 0.000 21.209 ( 0.000 0.000 0.000) 0.000 21.285 ( 0.000 0.000 0.000) 0.000 22.600 ( 0.000 0.000 0.000) 0.000 23.000 ( 0.000 0.000 0.000) 0.000 26.618 ( 0.000 0.000 0.000) 0.000 27.366 ( 0.000 0.000 0.000) 0.000 29.583 ( 0.000 0.000 0.000) 0.000 29.962 ( 0.000 0.000 0.000) 0.000 49.389 ( 0.000 0.000 0.000) 0.000 49.511 ( 0.000 0.000 0.000) 0.000 53.741 ( 0.000 0.000 0.000) 0.000 53.804 ( 0.000 0.000 0.000) 0.000 54.062 ( 0.000 0.000 0.000) 0.000 54.097 ( 0.000 0.000 0.000) 0.000 55.854 ( 0.000 0.000 0.000) 0.000 55.905 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/150) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 22.485 -17.978 0.000) 28.789 0.777 ( 26.858 -25.113 0.000) 36.769 1.266 ( 39.257 -45.904 0.000) 60.401 4.558 ( 2.496 2.870 0.000) 3.804 4.941 ( -10.970 4.256 0.000) 11.766 5.443 ( 1.582 -6.006 0.000) 6.211 5.738 ( -5.282 -0.827 0.000) 5.347 5.880 ( 8.680 4.983 0.000) 10.009 6.090 ( -2.830 -3.220 0.000) 4.287 6.563 ( 13.114 22.689 0.000) 26.206 6.879 ( 10.067 4.084 0.000) 10.864 7.094 ( 3.804 -4.144 0.000) 5.625 7.809 ( -15.043 -21.222 0.000) 26.013 8.286 ( -2.257 1.633 0.000) 2.786 9.007 ( 8.469 12.211 0.000) 14.860 9.136 ( 13.505 14.140 0.000) 19.553 9.575 ( -3.999 -2.767 0.000) 4.863 10.919 ( -19.671 -14.275 0.000) 24.304 12.125 ( 13.555 12.097 0.000) 18.168 14.394 ( -13.638 -9.352 0.000) 16.536 15.461 ( 1.765 -1.912 0.000) 2.602 17.043 ( -1.892 0.393 0.000) 1.932 18.904 ( 3.210 4.896 0.000) 5.855 19.243 ( 7.565 5.454 0.000) 9.326 19.293 ( -2.591 -3.422 0.000) 4.292 20.273 ( -6.513 -3.871 0.000) 7.577 21.174 ( 0.559 4.473 0.000) 4.508 21.321 ( -0.043 -3.859 0.000) 3.859 22.644 ( -1.922 -3.332 0.000) 3.846 22.991 ( -1.091 0.111 0.000) 1.096 26.657 ( 2.241 -2.516 0.000) 3.369 27.358 ( -1.170 -0.174 0.000) 1.183 29.580 ( 1.214 1.928 0.000) 2.278 29.968 ( -4.488 -2.321 0.000) 5.053 49.333 ( -7.087 -0.744 0.000) 7.125 49.989 ( 23.595 35.954 0.000) 43.005 53.711 ( -1.405 2.570 0.000) 2.929 54.080 ( -0.851 -6.400 0.000) 6.456 54.098 ( -0.455 -0.615 0.000) 0.765 54.221 ( -2.407 -15.828 0.000) 16.010 55.860 ( -6.428 -3.058 0.000) 7.118 55.876 ( -3.373 0.232 0.000) 3.381 ======================= Grid point 2 (3/150) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 20.601 -17.553 0.000) 27.065 1.516 ( 25.050 -22.957 0.000) 33.978 2.451 ( 36.217 -40.306 0.000) 54.187 4.540 ( 1.758 5.855 0.000) 6.114 4.640 ( -15.449 7.925 0.000) 17.363 5.563 ( 0.862 -7.345 0.000) 7.395 5.652 ( -7.113 -2.032 0.000) 7.398 5.955 ( 10.600 7.972 0.000) 13.263 6.090 ( -4.407 -5.797 0.000) 7.282 6.468 ( 1.952 9.249 0.000) 9.453 7.011 ( 12.806 3.960 0.000) 13.404 7.251 ( 6.326 -6.589 0.000) 9.134 7.840 ( -9.565 -12.716 0.000) 15.912 8.201 ( -4.259 3.181 0.000) 5.315 9.006 ( 13.209 13.653 0.000) 18.997 9.160 ( 3.241 2.920 0.000) 4.362 9.540 ( -7.205 -6.062 0.000) 9.416 10.733 ( -14.337 0.599 0.000) 14.350 12.213 ( 23.776 20.043 0.000) 31.097 14.256 ( -23.868 -15.828 0.000) 28.639 15.534 ( 2.897 -3.035 0.000) 4.196 16.993 ( -3.155 0.797 0.000) 3.254 18.890 ( 5.113 7.147 0.000) 8.788 19.295 ( -4.103 -4.935 0.000) 6.418 19.317 ( 13.834 9.449 0.000) 16.754 20.195 ( -12.327 -7.301 0.000) 14.327 21.127 ( 0.874 4.093 0.000) 4.185 21.368 ( -0.044 -3.191 0.000) 3.191 22.666 ( 0.388 -1.859 0.000) 1.899 22.961 ( -2.180 0.400 0.000) 2.217 26.751 ( 3.497 -4.197 0.000) 5.463 27.335 ( -1.937 -0.258 0.000) 1.954 29.574 ( 2.376 3.277 0.000) 4.048 29.910 ( -5.417 -1.245 0.000) 5.558 49.201 ( -10.215 -1.288 0.000) 10.296 49.862 ( 3.840 15.883 0.000) 16.340 53.640 ( -2.006 3.557 0.000) 4.084 54.096 ( -0.846 -0.560 0.000) 1.014 54.209 ( 7.948 -3.714 0.000) 8.772 54.419 ( 8.053 -6.420 0.000) 10.299 55.772 ( -7.702 -1.162 0.000) 7.789 55.792 ( -6.058 0.808 0.000) 6.112 ======================= Grid point 3 (4/150) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 15.760 -14.574 0.000) 21.465 2.173 ( 21.360 -18.940 0.000) 28.548 3.466 ( 31.185 -29.550 0.000) 42.962 4.261 ( -15.909 9.932 0.000) 18.755 4.454 ( -2.877 4.984 0.000) 5.755 5.529 ( -8.270 1.731 0.000) 8.449 5.660 ( 0.001 -4.889 0.000) 4.889 6.001 ( 7.133 6.657 0.000) 9.757 6.104 ( -2.907 -5.097 0.000) 5.868 6.393 ( -0.567 3.671 0.000) 3.715 7.183 ( 13.560 2.758 0.000) 13.838 7.456 ( 7.358 -7.195 0.000) 10.291 7.826 ( -9.404 -8.432 0.000) 12.631 8.068 ( -5.774 4.535 0.000) 7.342 9.072 ( 16.708 13.721 0.000) 21.620 9.166 ( -1.223 -1.686 0.000) 2.083 9.517 ( -8.264 -9.809 0.000) 12.826 10.460 ( -12.144 7.225 0.000) 14.130 12.351 ( 25.760 20.280 0.000) 32.785 14.063 ( -25.795 -16.569 0.000) 30.658 15.622 ( 2.806 -2.820 0.000) 3.978 16.928 ( -3.097 0.949 0.000) 3.239 18.882 ( 4.802 6.097 0.000) 7.761 19.291 ( -3.861 -4.202 0.000) 5.707 19.433 ( 16.847 10.784 0.000) 20.003 20.076 ( -15.487 -9.006 0.000) 17.915 21.096 ( 0.834 2.703 0.000) 2.828 21.401 ( -0.065 -1.951 0.000) 1.952 22.707 ( 1.888 -1.558 0.000) 2.448 22.910 ( -3.036 0.835 0.000) 3.149 26.865 ( 3.462 -3.966 0.000) 5.265 27.305 ( -2.022 -0.126 0.000) 2.026 29.573 ( 3.076 3.431 0.000) 4.608 29.835 ( -5.515 -1.110 0.000) 5.625 49.061 ( -8.558 -1.209 0.000) 8.642 49.717 ( -1.441 7.958 0.000) 8.087 53.565 ( -1.668 2.888 0.000) 3.335 54.087 ( -0.842 -0.251 0.000) 0.879 54.406 ( 10.400 -2.415 0.000) 10.677 54.628 ( 9.390 -3.115 0.000) 9.893 55.653 ( -8.015 -0.604 0.000) 8.037 55.670 ( -6.893 1.214 0.000) 6.999 ======================= Grid point 4 (5/150) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 6.276 -6.191 0.000) 8.816 2.650 ( 11.096 -9.483 0.000) 14.597 3.922 ( -9.306 6.488 0.000) 11.344 4.144 ( 18.581 -3.953 0.000) 18.997 4.380 ( -5.248 -8.796 0.000) 10.243 5.330 ( -7.085 5.886 0.000) 9.212 5.711 ( 0.313 -1.963 0.000) 1.988 6.015 ( 2.104 2.169 0.000) 3.022 6.122 ( -0.622 -1.624 0.000) 1.739 6.351 ( -0.613 1.110 0.000) 1.268 7.339 ( 7.334 1.276 0.000) 7.444 7.662 ( 6.483 -5.916 0.000) 8.776 7.779 ( -5.367 -3.663 0.000) 6.498 7.904 ( -5.906 4.936 0.000) 7.697 9.134 ( 6.328 6.266 0.000) 8.905 9.181 ( 1.122 -0.784 0.000) 1.369 9.542 ( -3.636 -7.503 0.000) 8.338 10.206 ( -5.923 5.804 0.000) 8.293 12.473 ( 12.416 9.314 0.000) 15.521 13.905 ( -12.416 -7.848 0.000) 14.688 15.684 ( 1.200 -1.169 0.000) 1.675 16.880 ( -1.330 0.456 0.000) 1.406 18.882 ( 2.004 2.393 0.000) 3.121 19.285 ( -1.621 -1.658 0.000) 2.319 19.551 ( 10.558 6.446 0.000) 12.370 19.957 ( -10.008 -5.769 0.000) 11.551 21.082 ( 0.347 0.932 0.000) 0.994 21.418 ( -0.033 -0.646 0.000) 0.647 22.765 ( 2.622 -1.319 0.000) 2.935 22.846 ( -3.031 1.098 0.000) 3.223 26.948 ( 1.592 -1.703 0.000) 2.332 27.279 ( -1.000 0.044 0.000) 1.001 29.580 ( 1.818 1.663 0.000) 2.463 29.776 ( -2.769 -0.663 0.000) 2.847 48.974 ( -3.305 -0.483 0.000) 3.340 49.625 ( -1.042 2.487 0.000) 2.696 53.518 ( -0.640 1.096 0.000) 1.269 54.079 ( -0.352 -0.054 0.000) 0.356 54.566 ( 5.181 -0.961 0.000) 5.269 54.776 ( 4.575 -0.998 0.000) 4.682 55.555 ( -4.104 -0.430 0.000) 4.126 55.564 ( -3.490 0.914 0.000) 3.607 ======================= Grid point 10 (6/150) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 35.370 -0.000 0.000) 35.370 1.226 ( 38.432 -0.000 0.000) 38.432 1.617 ( 48.010 -0.000 0.000) 48.010 4.621 ( 1.961 -0.000 0.000) 1.961 4.753 ( -15.221 0.000 0.000) 15.221 5.450 ( 3.689 -0.000 0.000) 3.689 5.603 ( -8.871 0.000 0.000) 8.871 6.003 ( -5.117 0.000 0.000) 5.117 6.079 ( 11.061 -0.000 0.000) 11.061 6.671 ( -6.430 0.000 0.000) 6.430 7.151 ( 6.552 -0.000 0.000) 6.552 7.231 ( 12.370 -0.000 0.000) 12.370 7.455 ( -3.585 0.000 0.000) 3.585 8.243 ( -4.267 0.000 0.000) 4.267 9.119 ( 0.579 -0.000 0.000) 0.579 9.264 ( -4.066 0.000 0.000) 4.066 9.461 ( -7.547 0.000 0.000) 7.547 10.752 ( 2.203 -0.000 0.000) 2.203 12.526 ( 25.325 -0.000 0.000) 25.325 14.001 ( -26.597 0.000 0.000) 26.597 15.492 ( 3.509 -0.000 0.000) 3.509 17.001 ( -3.504 0.000 0.000) 3.504 19.016 ( 6.074 -0.000 0.000) 6.074 19.203 ( -5.383 0.000 0.000) 5.383 19.455 ( 13.957 -0.000 0.000) 13.957 20.088 ( -13.028 0.000 0.000) 13.028 21.230 ( 1.054 -0.000 0.000) 1.054 21.278 ( -0.487 0.000 0.000) 0.487 22.624 ( 1.588 -0.000 0.000) 1.588 22.966 ( -2.012 0.000 0.000) 2.012 26.693 ( 4.167 -0.000 0.000) 4.167 27.331 ( -1.930 0.000 0.000) 1.930 29.623 ( 2.407 -0.000 0.000) 2.407 29.878 ( -5.012 0.000 0.000) 5.012 49.176 ( -10.651 0.000 0.000) 10.651 50.262 ( -13.058 0.000 0.000) 13.058 53.692 ( -2.925 0.000 0.000) 2.925 54.029 ( 12.029 -0.000 0.000) 12.029 54.085 ( -0.674 0.000 0.000) 0.674 54.337 ( 14.613 -0.000 0.000) 14.613 55.756 ( -5.673 0.000 0.000) 5.673 55.804 ( -5.792 0.000 0.000) 5.792 ======================= Grid point 11 (7/150) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 37.846 13.340 0.000) 40.128 1.782 ( 32.092 -8.729 0.000) 33.258 2.609 ( 40.598 -29.875 0.000) 50.406 4.466 ( -16.207 4.528 0.000) 16.828 4.578 ( -6.067 2.856 0.000) 6.706 5.500 ( -4.753 -2.152 0.000) 5.218 5.540 ( 3.516 -3.240 0.000) 4.781 5.928 ( -6.772 -3.129 0.000) 7.460 6.225 ( 10.746 4.574 0.000) 11.679 6.529 ( -4.950 5.063 0.000) 7.081 7.296 ( 7.849 -3.867 0.000) 8.750 7.298 ( 7.237 6.388 0.000) 9.653 7.570 ( 1.256 -10.842 0.000) 10.915 8.151 ( -5.823 1.623 0.000) 6.045 9.012 ( -14.181 -6.168 0.000) 15.465 9.312 ( 5.923 3.778 0.000) 7.025 9.346 ( -4.279 -2.322 0.000) 4.868 10.729 ( 1.131 8.586 0.000) 8.660 12.869 ( 25.597 16.794 0.000) 30.614 13.612 ( -28.697 -15.497 0.000) 32.614 15.567 ( 4.587 -1.148 0.000) 4.729 16.936 ( -4.308 -0.045 0.000) 4.308 19.040 ( -0.008 5.510 0.000) 5.510 19.178 ( 0.303 -4.407 0.000) 4.417 19.667 ( 14.805 6.381 0.000) 16.122 19.879 ( -14.641 -5.540 0.000) 15.654 21.195 ( 0.391 4.440 0.000) 4.458 21.317 ( -0.216 -4.141 0.000) 4.147 22.666 ( 2.351 -1.188 0.000) 2.635 22.926 ( -2.785 0.302 0.000) 2.801 26.785 ( 5.520 -1.735 0.000) 5.787 27.299 ( -2.010 -0.175 0.000) 2.017 29.653 ( 2.855 2.243 0.000) 3.631 29.794 ( -6.391 -1.598 0.000) 6.588 49.020 ( -8.989 -1.232 0.000) 9.073 49.983 ( -9.863 8.844 0.000) 13.247 53.627 ( -3.646 1.418 0.000) 3.912 54.076 ( -0.757 -0.373 0.000) 0.844 54.272 ( 10.737 -5.496 0.000) 12.062 54.585 ( 14.532 -0.413 0.000) 14.538 55.652 ( -6.834 0.215 0.000) 6.837 55.697 ( -6.615 0.645 0.000) 6.646 ======================= Grid point 12 (8/150) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 32.562 12.199 0.000) 34.772 2.382 ( 26.610 -8.894 0.000) 28.057 3.595 ( 32.049 -28.617 0.000) 42.966 4.130 ( -14.715 7.437 0.000) 16.488 4.357 ( -15.882 1.987 0.000) 16.006 5.458 ( -2.641 2.308 0.000) 3.508 5.641 ( 3.847 -3.129 0.000) 4.959 5.866 ( -8.214 -5.771 0.000) 10.038 6.307 ( 9.569 7.609 0.000) 12.225 6.414 ( -2.100 3.352 0.000) 3.955 7.302 ( -4.256 -2.687 0.000) 5.033 7.492 ( 7.897 -5.978 0.000) 9.904 7.742 ( 11.137 -0.330 0.000) 11.141 8.017 ( -6.761 3.114 0.000) 7.443 8.872 ( -18.353 -12.193 0.000) 22.034 9.214 ( -10.680 -4.669 0.000) 11.656 9.489 ( 15.091 3.901 0.000) 15.587 10.584 ( 2.275 16.078 0.000) 16.238 12.709 ( -19.723 7.806 0.000) 21.212 13.694 ( 14.974 -7.332 0.000) 16.672 15.656 ( 4.351 -0.831 0.000) 4.430 16.873 ( -3.758 -0.702 0.000) 3.823 18.937 ( -5.873 1.531 0.000) 6.070 19.263 ( 5.413 -0.106 0.000) 5.414 19.567 ( -17.458 -3.446 0.000) 17.795 19.961 ( 16.353 4.137 0.000) 16.869 21.143 ( -0.158 3.534 0.000) 3.537 21.362 ( -0.355 -3.354 0.000) 3.373 22.728 ( 3.196 -1.311 0.000) 3.454 22.870 ( -3.200 0.675 0.000) 3.271 26.900 ( 5.379 -1.657 0.000) 5.628 27.275 ( -1.315 -0.281 0.000) 1.345 29.629 ( -2.937 1.844 0.000) 3.468 29.751 ( -0.438 -1.163 0.000) 1.243 48.936 ( -3.724 -1.844 0.000) 4.156 49.756 ( -5.672 6.185 0.000) 8.393 53.550 ( -3.352 1.135 0.000) 3.539 54.070 ( -0.544 -0.446 0.000) 0.703 54.477 ( 5.305 -4.578 0.000) 7.007 54.779 ( 8.741 0.680 0.000) 8.767 55.552 ( -4.190 0.200 0.000) 4.195 55.596 ( -3.327 1.263 0.000) 3.559 ======================= Grid point 13 (9/150) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 22.908 18.160 0.000) 29.233 2.794 ( 13.348 0.864 0.000) 13.376 3.869 ( -4.918 2.733 0.000) 5.626 4.059 ( -19.925 -5.915 0.000) 20.784 4.346 ( 19.637 -14.513 0.000) 24.418 5.338 ( -2.072 6.427 0.000) 6.752 5.738 ( 4.577 -0.392 0.000) 4.593 5.813 ( -9.626 -7.749 0.000) 12.357 6.337 ( 8.073 9.135 0.000) 12.191 6.360 ( -0.918 1.745 0.000) 1.971 7.236 ( -10.119 -5.124 0.000) 11.342 7.688 ( 5.703 -5.051 0.000) 7.618 7.863 ( -5.684 3.077 0.000) 6.464 7.924 ( 14.895 5.574 0.000) 15.904 8.742 ( -21.160 -16.293 0.000) 26.706 9.116 ( -10.914 -7.052 0.000) 12.994 9.689 ( 15.099 4.367 0.000) 15.718 10.429 ( 7.658 16.656 0.000) 18.332 12.247 ( -34.354 -7.314 0.000) 35.124 14.082 ( 28.966 5.245 0.000) 29.437 15.714 ( 2.537 1.014 0.000) 2.732 16.845 ( -1.681 -2.005 0.000) 2.616 18.825 ( -7.895 -1.700 0.000) 8.076 19.330 ( -20.867 -8.348 0.000) 22.474 19.344 ( 6.541 2.535 0.000) 7.015 20.166 ( 18.500 8.107 0.000) 20.198 21.098 ( -0.820 2.096 0.000) 2.251 21.394 ( -0.414 -2.360 0.000) 2.396 22.789 ( 0.404 0.144 0.000) 0.429 22.821 ( 0.241 -0.428 0.000) 0.492 26.980 ( 3.130 0.671 0.000) 3.201 27.271 ( 0.377 -0.529 0.000) 0.649 29.546 ( -5.671 -0.920 0.000) 5.746 29.787 ( 3.583 0.254 0.000) 3.592 48.952 ( 2.699 -1.778 0.000) 3.232 49.638 ( -1.768 2.794 0.000) 3.306 53.498 ( -2.306 -0.407 0.000) 2.342 54.072 ( -0.007 -0.495 0.000) 0.495 54.532 ( -4.789 -2.603 0.000) 5.450 54.822 ( -1.438 1.797 0.000) 2.301 55.539 ( 2.470 -0.673 0.000) 2.560 55.587 ( 4.925 1.620 0.000) 5.184 ======================= Grid point 14 (10/150) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 8.137 28.376 0.000) 29.520 2.690 ( -7.326 18.553 0.000) 19.947 3.843 ( -17.074 -3.484 0.000) 17.426 3.998 ( 12.707 -9.004 0.000) 15.573 4.504 ( -2.912 8.165 0.000) 8.669 5.397 ( 9.978 -5.832 0.000) 11.557 5.759 ( -10.903 -9.147 0.000) 14.232 5.781 ( 3.828 4.042 0.000) 5.567 6.329 ( 6.477 9.597 0.000) 11.578 6.334 ( -2.081 -1.125 0.000) 2.365 7.119 ( -10.527 -2.656 0.000) 10.857 7.637 ( -6.348 5.940 0.000) 8.694 7.921 ( 5.337 -6.194 0.000) 8.176 8.055 ( 13.142 8.968 0.000) 15.911 8.623 ( -22.045 -18.674 0.000) 28.891 9.051 ( -9.974 -8.476 0.000) 13.089 9.799 ( 9.222 9.586 0.000) 13.302 10.467 ( 17.461 7.269 0.000) 18.913 11.848 ( -34.117 -17.034 0.000) 38.133 14.446 ( 29.504 11.964 0.000) 31.837 15.706 ( 0.125 3.314 0.000) 3.316 16.874 ( 0.820 -3.164 0.000) 3.269 18.736 ( -8.145 -4.681 0.000) 9.394 19.132 ( -19.388 -11.212 0.000) 22.396 19.403 ( 6.168 4.189 0.000) 7.456 20.331 ( 16.371 9.676 0.000) 19.016 21.064 ( -1.327 0.354 0.000) 1.374 21.412 ( -0.313 -1.201 0.000) 1.241 22.743 ( -2.232 1.140 0.000) 2.506 22.884 ( 3.457 -1.126 0.000) 3.636 26.974 ( 0.051 3.918 0.000) 3.919 27.300 ( 2.020 -0.576 0.000) 2.101 29.485 ( -4.866 -2.994 0.000) 5.713 29.852 ( 4.640 0.248 0.000) 4.646 49.059 ( 7.571 -1.310 0.000) 7.684 49.614 ( 0.295 -0.368 0.000) 0.472 53.491 ( -0.960 -2.476 0.000) 2.656 54.083 ( 0.565 -0.508 0.000) 0.759 54.414 ( -11.358 -0.877 0.000) 11.391 54.714 ( -7.102 2.693 0.000) 7.595 55.634 ( 6.673 -1.363 0.000) 6.811 55.689 ( 9.386 1.820 0.000) 9.561 ======================= Grid point 15 (11/150) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -0.709 33.528 0.000) 33.536 2.205 ( -12.891 27.104 0.000) 30.014 3.410 ( -20.028 27.193 0.000) 33.773 4.373 ( -4.503 -3.517 0.000) 5.714 4.379 ( 15.654 -11.010 0.000) 19.138 5.629 ( 7.343 -4.158 0.000) 8.439 5.705 ( -11.411 -9.965 0.000) 15.150 5.769 ( 3.772 6.969 0.000) 7.924 6.295 ( 4.779 9.162 0.000) 10.334 6.305 ( -5.841 -3.705 0.000) 6.917 6.982 ( -7.229 0.830 0.000) 7.276 7.446 ( -5.825 7.394 0.000) 9.413 8.081 ( 4.224 -5.718 0.000) 7.109 8.116 ( 9.945 9.648 0.000) 13.856 8.540 ( -19.367 -19.805 0.000) 27.701 9.012 ( -8.832 -8.269 0.000) 12.099 9.774 ( 5.977 10.877 0.000) 12.411 10.737 ( 20.169 0.947 0.000) 20.192 11.622 ( -26.300 -22.851 0.000) 34.841 14.693 ( 23.468 15.753 0.000) 28.265 15.640 ( -1.287 4.715 0.000) 4.888 16.943 ( 2.049 -3.219 0.000) 3.816 18.694 ( -6.566 -7.127 0.000) 9.691 19.013 ( -14.709 -12.592 0.000) 19.362 19.429 ( 4.684 5.116 0.000) 6.936 20.432 ( 12.038 9.904 0.000) 15.589 21.049 ( -1.319 -1.534 0.000) 2.023 21.415 ( -0.154 0.185 0.000) 0.241 22.701 ( -1.061 0.951 0.000) 1.425 22.946 ( 2.614 -0.723 0.000) 2.712 26.893 ( -1.487 6.027 0.000) 6.208 27.339 ( 2.048 -0.087 0.000) 2.050 29.470 ( -3.114 -4.268 0.000) 5.283 29.925 ( 4.406 -0.043 0.000) 4.406 49.210 ( 8.584 -0.859 0.000) 8.627 49.634 ( -1.299 -2.760 0.000) 3.050 53.530 ( 0.152 -4.281 0.000) 4.283 54.101 ( 0.806 -0.300 0.000) 0.860 54.233 ( -10.784 -0.226 0.000) 10.786 54.556 ( -6.533 3.449 0.000) 7.388 55.761 ( 6.234 -1.340 0.000) 6.377 55.816 ( 9.079 1.927 0.000) 9.282 ======================= Grid point 16 (12/150) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 0.685 36.087 0.000) 36.093 1.604 ( -11.103 33.193 0.000) 35.000 2.560 ( -20.283 48.072 0.000) 52.176 4.409 ( -2.417 -7.981 0.000) 8.338 4.745 ( 11.472 -9.789 0.000) 15.081 5.667 ( -9.060 -9.974 0.000) 13.475 5.698 ( 1.769 11.153 0.000) 11.292 5.734 ( 2.138 -1.409 0.000) 2.560 6.243 ( 2.699 7.865 0.000) 8.315 6.251 ( -8.265 -5.839 0.000) 10.120 6.880 ( -2.974 2.093 0.000) 3.636 7.267 ( -3.557 7.809 0.000) 8.580 8.132 ( 7.861 8.663 0.000) 11.698 8.202 ( 2.250 -4.586 0.000) 5.108 8.529 ( -14.336 -18.831 0.000) 23.667 8.983 ( -6.588 -6.413 0.000) 9.194 9.723 ( 3.510 8.365 0.000) 9.072 11.035 ( 15.936 -0.607 0.000) 15.947 11.609 ( -13.980 -24.087 0.000) 27.850 14.773 ( 12.950 16.800 0.000) 21.212 15.554 ( -1.207 4.800 0.000) 4.950 17.011 ( 1.572 -2.307 0.000) 2.792 18.715 ( -3.513 -8.274 0.000) 8.989 18.995 ( -7.824 -12.184 0.000) 14.480 19.418 ( 2.484 5.354 0.000) 5.902 20.455 ( 6.345 9.008 0.000) 11.019 21.064 ( -0.755 -3.245 0.000) 3.332 21.401 ( -0.042 1.719 0.000) 1.720 22.685 ( 0.230 0.579 0.000) 0.623 22.985 ( 1.306 -0.347 0.000) 1.351 26.783 ( -1.441 6.452 0.000) 6.611 27.364 ( 1.188 0.235 0.000) 1.211 29.493 ( -1.357 -4.386 0.000) 4.591 29.988 ( 3.081 -0.224 0.000) 3.090 49.334 ( 4.576 -0.953 0.000) 4.674 49.617 ( -5.691 -2.436 0.000) 6.191 53.601 ( 0.558 -5.138 0.000) 5.168 54.099 ( -5.869 -0.326 0.000) 5.878 54.113 ( 0.556 0.194 0.000) 0.588 54.440 ( -1.501 3.251 0.000) 3.581 55.857 ( 3.487 -1.013 0.000) 3.631 55.919 ( 6.474 1.738 0.000) 6.703 ======================= Grid point 17 (13/150) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.000 37.166 0.000) 37.166 1.022 ( 0.000 37.756 0.000) 37.756 1.622 ( 0.000 59.250 0.000) 59.250 4.480 ( -0.000 -5.669 0.000) 5.669 4.961 ( -0.000 -7.416 0.000) 7.416 5.552 ( 0.000 11.240 0.000) 11.240 5.709 ( -0.000 -8.545 0.000) 8.545 5.763 ( -0.000 -1.112 0.000) 1.112 6.174 ( 0.000 5.844 0.000) 5.844 6.217 ( -0.000 -3.047 0.000) 3.047 6.831 ( 0.000 1.510 0.000) 1.510 7.138 ( 0.000 6.882 0.000) 6.882 8.135 ( 0.000 5.304 0.000) 5.304 8.272 ( -0.000 -3.190 0.000) 3.190 8.584 ( -0.000 -12.964 0.000) 12.964 8.991 ( -0.000 -3.651 0.000) 3.651 9.661 ( 0.000 5.480 0.000) 5.480 11.211 ( -0.000 -2.271 0.000) 2.271 11.795 ( -0.000 -20.335 0.000) 20.335 14.667 ( 0.000 14.735 0.000) 14.735 15.485 ( 0.000 3.736 0.000) 3.736 17.048 ( -0.000 -1.197 0.000) 1.197 18.794 ( -0.000 -7.517 0.000) 7.517 19.079 ( -0.000 -9.734 0.000) 9.734 19.370 ( 0.000 4.843 0.000) 4.843 20.399 ( 0.000 7.060 0.000) 7.060 21.109 ( -0.000 -4.356 0.000) 4.356 21.368 ( 0.000 3.120 0.000) 3.120 22.688 ( -0.000 -0.013 0.000) 0.013 22.998 ( -0.000 -0.157 0.000) 0.157 26.691 ( 0.000 5.178 0.000) 5.178 27.371 ( 0.000 0.275 0.000) 0.275 29.535 ( -0.000 -3.450 0.000) 3.450 30.022 ( -0.000 -0.395 0.000) 0.395 49.372 ( -0.000 -0.962 0.000) 0.962 49.541 ( 0.000 1.950 0.000) 1.950 53.673 ( -0.000 -4.595 0.000) 4.595 54.057 ( -0.000 -0.360 0.000) 0.360 54.112 ( 0.000 0.688 0.000) 0.688 54.423 ( 0.000 0.616 0.000) 0.616 55.896 ( -0.000 -0.658 0.000) 0.658 55.964 ( 0.000 0.800 0.000) 0.800 ======================= Grid point 20 (14/150) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 31.964 -0.000 0.000) 31.964 2.471 ( 38.473 -0.000 0.000) 38.473 3.015 ( 37.531 -0.000 0.000) 37.531 4.240 ( -15.500 0.000 0.000) 15.500 4.384 ( -19.575 0.000 0.000) 19.575 5.477 ( 3.289 -0.000 0.000) 3.289 5.587 ( 3.966 -0.000 0.000) 3.966 5.785 ( -8.303 0.000 0.000) 8.303 6.420 ( 9.576 -0.000 0.000) 9.576 6.477 ( -4.439 0.000 0.000) 4.439 7.253 ( -8.525 0.000 0.000) 8.525 7.401 ( 8.194 -0.000 0.000) 8.194 7.737 ( 18.085 -0.000 0.000) 18.085 8.059 ( -6.810 0.000 0.000) 6.810 8.683 ( -19.498 0.000 0.000) 19.498 9.144 ( -11.366 0.000 0.000) 11.366 9.551 ( 13.741 -0.000 0.000) 13.741 10.827 ( 2.213 -0.000 0.000) 2.213 12.828 ( -44.031 0.000 0.000) 44.031 13.580 ( 37.360 -0.000 0.000) 37.360 15.645 ( 5.643 -0.000 0.000) 5.643 16.861 ( -4.703 0.000 0.000) 4.703 18.957 ( -9.550 0.000 0.000) 9.550 19.265 ( 8.768 -0.000 0.000) 8.768 19.508 ( -21.833 0.000 0.000) 21.833 20.030 ( 20.042 -0.000 0.000) 20.042 21.251 ( -1.245 0.000 0.000) 1.245 21.258 ( 0.399 -0.000 0.000) 0.399 22.708 ( 3.601 -0.000 0.000) 3.601 22.880 ( -3.188 0.000 0.000) 3.188 26.876 ( 6.804 -0.000 0.000) 6.804 27.270 ( -1.407 0.000 0.000) 1.407 29.661 ( -8.007 0.000 0.000) 8.007 29.728 ( 3.863 -0.000 0.000) 3.863 48.907 ( -3.618 0.000 0.000) 3.618 49.858 ( -9.963 0.000 0.000) 9.963 53.567 ( -4.511 0.000 0.000) 4.511 54.063 ( -0.533 0.000 0.000) 0.533 54.401 ( 7.814 -0.000 0.000) 7.814 54.790 ( 9.536 -0.000 0.000) 9.536 55.556 ( -4.643 0.000 0.000) 4.643 55.616 ( -3.023 0.000 0.000) 3.023 ======================= Grid point 21 (15/150) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 27.849 -1.582 0.000) 27.894 2.911 ( 36.038 19.781 0.000) 41.110 3.726 ( 22.415 -19.297 0.000) 29.577 3.980 ( -12.930 3.399 0.000) 13.369 4.024 ( -20.668 -4.192 0.000) 21.089 5.510 ( 1.984 5.236 0.000) 5.600 5.661 ( -9.757 -3.218 0.000) 10.274 5.676 ( 4.971 -3.632 0.000) 6.156 6.417 ( -1.582 1.655 0.000) 2.290 6.532 ( 8.170 4.552 0.000) 9.352 7.127 ( -9.003 -2.422 0.000) 9.323 7.553 ( 7.537 -3.496 0.000) 8.308 7.935 ( -7.119 1.562 0.000) 7.288 8.020 ( 17.689 1.729 0.000) 17.774 8.403 ( -21.480 -7.635 0.000) 22.796 8.976 ( -11.489 -2.537 0.000) 11.766 9.770 ( 14.622 1.537 0.000) 14.702 10.803 ( 2.750 8.564 0.000) 8.995 12.109 ( -45.398 -2.776 0.000) 45.483 14.174 ( 36.363 1.719 0.000) 36.403 15.735 ( 5.353 0.469 0.000) 5.374 16.796 ( -3.953 -1.227 0.000) 4.139 18.796 ( -10.486 -0.520 0.000) 10.499 19.166 ( -22.766 -3.390 0.000) 23.017 19.399 ( 8.510 1.222 0.000) 8.597 20.327 ( 19.211 3.383 0.000) 19.507 21.183 ( -1.122 4.030 0.000) 4.183 21.303 ( -0.709 -4.139 0.000) 4.199 22.775 ( 4.112 -0.518 0.000) 4.145 22.825 ( -3.147 0.271 0.000) 3.159 26.988 ( 6.525 0.046 0.000) 6.525 27.257 ( -0.274 -0.332 0.000) 0.431 29.531 ( -7.946 -0.269 0.000) 7.950 29.791 ( 3.913 0.061 0.000) 3.913 48.909 ( 2.885 -1.057 0.000) 3.072 49.717 ( -5.008 2.167 0.000) 5.457 53.494 ( -4.256 -0.017 0.000) 4.256 54.059 ( -0.215 -0.335 0.000) 0.398 54.469 ( -1.681 -1.544 0.000) 2.282 54.854 ( -1.241 0.601 0.000) 1.379 55.527 ( 1.382 -0.228 0.000) 1.400 55.626 ( 5.256 0.959 0.000) 5.343 ======================= Grid point 22 (16/150) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 12.503 9.782 0.000) 15.875 3.092 ( 20.259 28.925 0.000) 35.314 3.611 ( -18.209 -9.520 0.000) 20.547 3.831 ( 0.259 -3.119 0.000) 3.130 4.426 ( 15.271 -15.397 0.000) 21.686 5.421 ( 0.404 7.283 0.000) 7.294 5.554 ( -11.056 -5.911 0.000) 12.537 5.816 ( 6.112 -2.612 0.000) 6.647 6.354 ( -3.379 2.835 0.000) 4.411 6.569 ( 6.629 7.707 0.000) 10.166 7.039 ( -6.093 -3.058 0.000) 6.817 7.711 ( 3.560 -2.798 0.000) 4.528 7.806 ( -4.129 0.423 0.000) 4.150 8.164 ( -16.414 -10.258 0.000) 19.356 8.272 ( 9.630 2.089 0.000) 9.854 8.845 ( -10.833 -5.162 0.000) 12.000 9.965 ( 12.458 3.224 0.000) 12.868 10.737 ( 6.508 10.288 0.000) 12.173 11.485 ( -41.266 -9.845 0.000) 42.425 14.683 ( 32.442 5.874 0.000) 32.969 15.788 ( 3.387 2.629 0.000) 4.288 16.778 ( -1.950 -3.494 0.000) 4.001 18.644 ( -10.314 -2.246 0.000) 10.555 18.881 ( -20.723 -7.046 0.000) 21.888 19.501 ( 7.409 2.886 0.000) 7.952 20.551 ( 16.332 6.282 0.000) 17.499 21.113 ( -1.554 3.202 0.000) 3.559 21.343 ( -0.816 -3.754 0.000) 3.842 22.767 ( -2.668 0.688 0.000) 2.755 22.855 ( 3.990 -0.897 0.000) 4.090 27.061 ( 3.982 2.501 0.000) 4.702 27.276 ( 1.511 -1.087 0.000) 1.861 29.423 ( -6.727 -1.645 0.000) 6.925 29.854 ( 3.864 -0.027 0.000) 3.864 49.016 ( 7.687 -1.531 0.000) 7.838 49.646 ( -0.813 1.814 0.000) 1.987 53.441 ( -3.142 -1.256 0.000) 3.384 54.065 ( 0.189 -0.683 0.000) 0.709 54.387 ( -9.530 -0.868 0.000) 9.570 54.763 ( -7.442 1.109 0.000) 7.524 55.602 ( 6.254 -0.933 0.000) 6.323 55.737 ( 9.580 1.588 0.000) 9.711 ======================= Grid point 23 (17/150) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -7.856 24.993 0.000) 26.198 2.884 ( -3.924 23.449 0.000) 23.775 3.661 ( 7.408 -1.069 0.000) 7.485 4.086 ( 14.247 -10.894 0.000) 17.934 4.541 ( -5.858 9.608 0.000) 11.253 5.460 ( 5.952 -5.574 0.000) 8.155 5.462 ( -11.606 -7.929 0.000) 14.056 5.919 ( 6.408 2.781 0.000) 6.985 6.247 ( -6.239 0.234 0.000) 6.243 6.548 ( 4.849 9.331 0.000) 10.516 7.002 ( -1.992 -0.220 0.000) 2.004 7.617 ( -5.277 5.207 0.000) 7.413 7.912 ( 4.079 -6.646 0.000) 7.798 8.031 ( -20.064 -17.213 0.000) 26.435 8.378 ( 10.684 9.345 0.000) 14.194 8.774 ( -8.850 -8.296 0.000) 12.130 10.046 ( 6.621 8.208 0.000) 10.546 10.794 ( 12.232 3.551 0.000) 12.737 11.076 ( -30.990 -17.365 0.000) 35.524 15.043 ( 24.903 10.218 0.000) 26.918 15.771 ( 0.916 4.928 0.000) 5.013 16.824 ( 0.125 -5.357 0.000) 5.358 18.535 ( -8.421 -4.626 0.000) 9.608 18.700 ( -15.697 -10.257 0.000) 18.751 19.558 ( 5.464 4.311 0.000) 6.960 20.682 ( 11.831 8.342 0.000) 14.477 21.053 ( -1.595 1.810 0.000) 2.413 21.377 ( -0.564 -2.964 0.000) 3.017 22.722 ( -1.790 0.611 0.000) 1.891 22.925 ( 3.142 -0.764 0.000) 3.234 27.047 ( 1.157 5.363 0.000) 5.486 27.325 ( 2.258 -1.048 0.000) 2.490 29.365 ( -4.494 -3.396 0.000) 5.633 29.916 ( 3.392 -0.482 0.000) 3.426 49.173 ( 8.509 -1.490 0.000) 8.639 49.630 ( 0.856 1.262 0.000) 1.525 53.430 ( -1.679 -3.069 0.000) 3.498 54.082 ( 0.478 -0.948 0.000) 1.062 54.224 ( -10.485 -0.315 0.000) 10.490 54.618 ( -7.625 1.520 0.000) 7.775 55.725 ( 6.376 -1.293 0.000) 6.506 55.867 ( 8.851 1.774 0.000) 9.027 ======================= Grid point 24 (18/150) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -6.026 25.093 0.000) 25.807 2.447 ( -4.970 29.828 0.000) 30.239 3.642 ( 4.324 28.622 0.000) 28.946 4.248 ( -9.048 1.847 0.000) 9.235 4.459 ( 11.797 -11.403 0.000) 16.407 5.402 ( -9.372 -9.399 0.000) 13.273 5.626 ( 1.788 -7.235 0.000) 7.452 5.947 ( 5.231 7.135 0.000) 8.847 6.161 ( -5.467 -1.304 0.000) 5.620 6.482 ( 2.653 9.714 0.000) 10.069 6.964 ( -0.295 3.369 0.000) 3.382 7.466 ( -3.277 6.746 0.000) 7.500 8.002 ( -12.903 -19.416 0.000) 23.312 8.052 ( 2.236 -6.514 0.000) 6.887 8.381 ( 6.039 9.669 0.000) 11.400 8.772 ( -5.682 -8.738 0.000) 10.423 9.989 ( 2.877 10.709 0.000) 11.089 10.963 ( -16.105 -23.151 0.000) 28.202 10.987 ( 10.560 -2.276 0.000) 10.802 15.195 ( 13.530 14.139 0.000) 19.570 15.700 ( -0.326 5.966 0.000) 5.974 16.908 ( 0.811 -5.501 0.000) 5.561 18.506 ( -4.581 -7.017 0.000) 8.380 18.655 ( -8.352 -12.504 0.000) 15.037 19.561 ( 2.834 5.258 0.000) 5.973 20.709 ( 6.217 9.518 0.000) 11.369 21.019 ( -0.988 0.011 0.000) 0.988 21.402 ( -0.220 -1.684 0.000) 1.698 22.695 ( -0.682 0.333 0.000) 0.759 22.973 ( 1.632 -0.521 0.000) 1.713 26.969 ( -0.146 7.172 0.000) 7.173 27.364 ( 1.333 -0.365 0.000) 1.382 29.367 ( -2.002 -4.720 0.000) 5.127 29.971 ( 2.179 -0.907 0.000) 2.360 49.302 ( 4.728 -1.120 0.000) 4.859 49.624 ( 0.389 1.545 0.000) 1.593 53.466 ( -0.460 -4.704 0.000) 4.726 54.089 ( -6.192 -0.364 0.000) 6.203 54.103 ( 0.427 -0.909 0.000) 1.004 54.497 ( -4.359 1.554 0.000) 4.628 55.825 ( 3.666 -1.287 0.000) 3.886 55.964 ( 5.540 1.582 0.000) 5.762 ======================= Grid point 25 (19/150) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.000 29.327 0.000) 29.327 1.975 ( 0.000 33.916 0.000) 33.916 3.080 ( 0.000 50.013 0.000) 50.013 4.270 ( -0.000 -9.199 0.000) 9.199 4.712 ( -0.000 -10.762 0.000) 10.762 5.447 ( -0.000 -10.314 0.000) 10.314 5.708 ( -0.000 -3.905 0.000) 3.905 5.873 ( 0.000 10.956 0.000) 10.956 6.131 ( -0.000 -2.478 0.000) 2.478 6.378 ( 0.000 9.136 0.000) 9.136 6.908 ( 0.000 4.138 0.000) 4.138 7.342 ( 0.000 7.735 0.000) 7.735 8.149 ( -0.000 -18.953 0.000) 18.953 8.152 ( -0.000 -5.742 0.000) 5.742 8.315 ( 0.000 8.158 0.000) 8.158 8.831 ( -0.000 -7.847 0.000) 7.847 9.873 ( 0.000 10.069 0.000) 10.069 11.128 ( -0.000 -3.840 0.000) 3.840 11.160 ( -0.000 -25.508 0.000) 25.508 15.101 ( 0.000 16.431 0.000) 16.431 15.616 ( 0.000 5.848 0.000) 5.848 16.981 ( -0.000 -4.143 0.000) 4.143 18.573 ( -0.000 -8.400 0.000) 8.400 18.760 ( -0.000 -13.260 0.000) 13.260 19.511 ( 0.000 5.584 0.000) 5.584 20.631 ( 0.000 9.765 0.000) 9.765 21.023 ( -0.000 -1.814 0.000) 1.814 21.412 ( -0.000 -0.023 0.000) 0.023 22.688 ( 0.000 0.080 0.000) 0.080 22.991 ( -0.000 -0.348 0.000) 0.348 26.867 ( 0.000 7.592 0.000) 7.592 27.377 ( 0.000 0.074 0.000) 0.074 29.418 ( -0.000 -5.042 0.000) 5.042 30.003 ( -0.000 -0.971 0.000) 0.971 49.348 ( -0.000 -0.756 0.000) 0.756 49.600 ( 0.000 2.270 0.000) 2.270 53.532 ( -0.000 -5.517 0.000) 5.517 54.045 ( -0.000 -0.496 0.000) 0.496 54.116 ( -0.000 -0.460 0.000) 0.460 54.446 ( 0.000 1.091 0.000) 1.091 55.871 ( -0.000 -1.159 0.000) 1.159 55.993 ( 0.000 1.285 0.000) 1.285 ======================= Grid point 30 (20/150) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 26.257 -0.000 0.000) 26.257 3.468 ( -19.533 0.000 0.000) 19.533 3.719 ( 24.109 -0.000 0.000) 24.109 3.806 ( -10.869 0.000 0.000) 10.869 3.956 ( 19.888 -0.000 0.000) 19.888 5.471 ( -11.034 0.000 0.000) 11.034 5.602 ( 0.419 -0.000 0.000) 0.419 5.699 ( 4.560 -0.000 0.000) 4.560 6.412 ( -0.881 0.000 0.000) 0.881 6.683 ( 6.662 -0.000 0.000) 6.662 6.990 ( -5.720 0.000 0.000) 5.720 7.643 ( 6.376 -0.000 0.000) 6.376 7.832 ( -6.781 0.000 0.000) 6.781 8.001 ( -21.629 0.000 0.000) 21.629 8.305 ( 15.240 -0.000 0.000) 15.240 8.792 ( -9.129 0.000 0.000) 9.129 10.002 ( 12.955 -0.000 0.000) 12.955 10.889 ( 1.690 -0.000 0.000) 1.690 11.351 ( -44.007 0.000 0.000) 44.007 14.759 ( 33.423 -0.000 0.000) 33.423 15.827 ( 5.100 -0.000 0.000) 5.100 16.725 ( -3.429 0.000 0.000) 3.429 18.615 ( -11.066 0.000 0.000) 11.066 18.785 ( -21.128 0.000 0.000) 21.128 19.541 ( 7.793 -0.000 0.000) 7.793 20.637 ( 16.205 -0.000 0.000) 16.205 21.202 ( -1.626 0.000 0.000) 1.626 21.247 ( -1.022 0.000 0.000) 1.022 22.777 ( -2.931 0.000 0.000) 2.931 22.842 ( 4.351 -0.000 0.000) 4.351 27.097 ( 6.321 -0.000 0.000) 6.321 27.257 ( 0.608 -0.000 0.000) 0.608 29.401 ( -7.493 0.000 0.000) 7.493 29.853 ( 3.553 -0.000 0.000) 3.553 48.994 ( 8.028 -0.000 0.000) 8.028 49.674 ( -1.750 0.000 0.000) 1.750 53.425 ( -4.000 0.000 0.000) 4.000 54.055 ( 0.036 -0.000 0.000) 0.036 54.375 ( -8.450 0.000 0.000) 8.450 54.777 ( -7.589 0.000 0.000) 7.589 55.589 ( 6.032 -0.000 0.000) 6.032 55.760 ( 9.405 -0.000 0.000) 9.405 ======================= Grid point 31 (21/150) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( -27.086 -0.974 0.000) 27.103 3.417 ( 5.892 16.636 0.000) 17.648 3.795 ( 7.989 -11.601 0.000) 14.085 3.928 ( 24.020 20.690 0.000) 31.702 4.455 ( 15.233 -15.373 0.000) 21.641 5.310 ( -11.465 -3.160 0.000) 11.893 5.497 ( -4.645 6.162 0.000) 7.717 5.850 ( 6.867 -5.579 0.000) 8.848 6.349 ( -3.738 4.660 0.000) 5.974 6.746 ( 4.940 4.590 0.000) 6.744 6.959 ( 0.020 -2.259 0.000) 2.259 7.706 ( -19.904 -6.351 0.000) 20.893 7.712 ( -3.974 1.986 0.000) 4.442 7.763 ( 2.965 -3.724 0.000) 4.761 8.495 ( 7.130 -0.905 0.000) 7.187 8.684 ( -2.969 1.611 0.000) 3.378 10.175 ( 9.374 1.957 0.000) 9.576 10.751 ( -34.312 -6.496 0.000) 34.922 10.895 ( 2.808 2.822 0.000) 3.981 15.222 ( 26.062 3.306 0.000) 26.271 15.879 ( 3.051 2.605 0.000) 4.012 16.700 ( -1.939 -3.084 0.000) 3.643 18.454 ( -9.608 -1.506 0.000) 9.725 18.506 ( -16.212 -3.912 0.000) 16.677 19.641 ( 5.899 1.747 0.000) 6.153 20.841 ( 11.615 3.255 0.000) 12.063 21.136 ( -1.502 4.038 0.000) 4.308 21.272 ( -1.071 -4.486 0.000) 4.612 22.733 ( -2.168 0.240 0.000) 2.181 22.910 ( 3.525 -0.340 0.000) 3.541 27.164 ( 3.810 3.111 0.000) 4.919 27.286 ( 1.745 -1.645 0.000) 2.398 29.301 ( -5.587 -1.265 0.000) 5.729 29.905 ( 2.768 -0.242 0.000) 2.778 49.144 ( 9.301 -0.585 0.000) 9.319 49.662 ( 0.644 0.779 0.000) 1.010 53.375 ( -2.823 -1.073 0.000) 3.021 54.061 ( 0.212 -0.510 0.000) 0.553 54.219 ( -10.076 -0.087 0.000) 10.076 54.644 ( -7.824 0.467 0.000) 7.838 55.699 ( 6.452 -0.550 0.000) 6.476 55.902 ( 8.327 0.723 0.000) 8.358 ======================= Grid point 32 (22/150) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -15.745 2.430 0.000) 15.932 3.153 ( -1.773 23.058 0.000) 23.127 4.028 ( 15.957 12.268 0.000) 20.127 4.148 ( 11.392 -12.175 0.000) 16.674 4.624 ( 0.220 13.142 0.000) 13.144 5.197 ( -9.136 -5.675 0.000) 10.755 5.408 ( -3.035 -6.291 0.000) 6.985 6.023 ( 6.647 -2.203 0.000) 7.002 6.206 ( -3.977 5.174 0.000) 6.526 6.724 ( 2.710 7.818 0.000) 8.274 7.012 ( 2.774 -0.203 0.000) 2.781 7.550 ( -14.131 -13.051 0.000) 19.236 7.607 ( -3.151 3.767 0.000) 4.911 7.879 ( 2.246 -5.914 0.000) 6.327 8.563 ( -2.661 -5.670 0.000) 6.264 8.640 ( 4.142 8.059 0.000) 9.061 10.228 ( 3.856 6.407 0.000) 7.477 10.457 ( -18.389 -14.042 0.000) 23.138 10.941 ( 4.454 -0.935 0.000) 4.551 15.486 ( 14.834 7.509 0.000) 16.626 15.853 ( 0.492 5.176 0.000) 5.199 16.744 ( -0.389 -6.025 0.000) 6.038 18.362 ( -5.623 -3.694 0.000) 6.728 18.379 ( -8.743 -7.683 0.000) 11.640 19.681 ( 3.148 3.443 0.000) 4.665 20.923 ( 6.071 6.029 0.000) 8.556 21.065 ( -1.020 3.290 0.000) 3.444 21.318 ( -0.519 -4.340 0.000) 4.371 22.703 ( -1.075 0.251 0.000) 1.104 22.960 ( 1.916 -0.422 0.000) 1.962 27.142 ( 1.195 5.643 0.000) 5.768 27.339 ( 1.514 -1.631 0.000) 2.225 29.261 ( -2.776 -2.991 0.000) 4.080 29.948 ( 1.644 -0.744 0.000) 1.805 49.280 ( 5.881 -0.546 0.000) 5.906 49.665 ( 0.997 1.232 0.000) 1.585 53.366 ( -1.275 -2.658 0.000) 2.948 54.075 ( 0.230 -0.999 0.000) 1.025 54.082 ( -6.406 -0.174 0.000) 6.408 54.530 ( -4.754 0.912 0.000) 4.841 55.794 ( 3.826 -0.926 0.000) 3.936 55.999 ( 4.880 0.995 0.000) 4.981 ======================= Grid point 33 (23/150) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 0.000 10.664 0.000) 10.664 2.796 ( 0.000 27.784 0.000) 27.784 4.114 ( 0.000 0.236 0.000) 0.236 4.218 ( 0.000 35.175 0.000) 35.175 4.411 ( -0.000 -11.894 0.000) 11.894 5.201 ( -0.000 -7.718 0.000) 7.718 5.518 ( -0.000 -10.184 0.000) 10.184 6.069 ( 0.000 3.663 0.000) 3.663 6.127 ( 0.000 1.985 0.000) 1.985 6.631 ( 0.000 9.397 0.000) 9.397 7.014 ( 0.000 3.091 0.000) 3.091 7.520 ( 0.000 5.428 0.000) 5.428 7.641 ( -0.000 -18.160 0.000) 18.160 7.982 ( -0.000 -6.693 0.000) 6.693 8.560 ( 0.000 9.781 0.000) 9.781 8.619 ( -0.000 -7.379 0.000) 7.379 10.147 ( 0.000 9.570 0.000) 9.570 10.537 ( -0.000 -20.171 0.000) 20.171 11.023 ( -0.000 -3.765 0.000) 3.765 15.480 ( 0.000 11.624 0.000) 11.624 15.778 ( 0.000 6.076 0.000) 6.076 16.830 ( -0.000 -6.809 0.000) 6.809 18.380 ( -0.000 -5.817 0.000) 5.817 18.431 ( -0.000 -10.736 0.000) 10.736 19.651 ( 0.000 4.700 0.000) 4.700 20.877 ( 0.000 8.168 0.000) 8.168 21.022 ( 0.000 1.761 0.000) 1.761 21.366 ( -0.000 -3.307 0.000) 3.307 22.692 ( 0.000 0.184 0.000) 0.184 22.981 ( -0.000 -0.427 0.000) 0.427 27.065 ( 0.000 7.008 0.000) 7.008 27.368 ( -0.000 -0.859 0.000) 0.859 29.289 ( -0.000 -4.328 0.000) 4.328 29.974 ( -0.000 -1.093 0.000) 1.093 49.333 ( -0.000 -0.386 0.000) 0.386 49.654 ( 0.000 1.719 0.000) 1.719 53.402 ( -0.000 -4.064 0.000) 4.064 54.033 ( -0.000 -0.376 0.000) 0.376 54.092 ( -0.000 -1.184 0.000) 1.184 54.477 ( 0.000 1.145 0.000) 1.145 55.840 ( -0.000 -1.138 0.000) 1.138 56.026 ( 0.000 1.127 0.000) 1.127 ======================= Grid point 40 (24/150) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -17.028 0.000 0.000) 17.028 3.566 ( -3.773 0.000 0.000) 3.773 3.884 ( 14.049 -0.000 0.000) 14.049 4.306 ( 3.709 -0.000 0.000) 3.709 4.682 ( 25.614 -0.000 0.000) 25.614 5.119 ( -8.807 0.000 0.000) 8.807 5.378 ( -13.711 0.000 0.000) 13.711 5.961 ( 10.560 -0.000 0.000) 10.560 6.304 ( -6.619 0.000 0.000) 6.619 6.840 ( 2.774 -0.000 0.000) 2.774 6.984 ( 5.165 -0.000 0.000) 5.165 7.376 ( -15.518 0.000 0.000) 15.518 7.659 ( -3.292 0.000 0.000) 3.292 7.788 ( 2.398 -0.000 0.000) 2.398 8.481 ( -2.407 0.000 0.000) 2.407 8.761 ( 4.901 -0.000 0.000) 4.901 10.265 ( -19.355 0.000 0.000) 19.355 10.310 ( 5.272 -0.000 0.000) 5.272 10.933 ( 0.838 -0.000 0.000) 0.838 15.585 ( 15.609 -0.000 0.000) 15.609 15.933 ( 0.891 -0.000 0.000) 0.891 16.650 ( -1.162 0.000 0.000) 1.162 18.274 ( -8.872 0.000 0.000) 8.872 18.313 ( -6.060 0.000 0.000) 6.060 19.728 ( 3.260 -0.000 0.000) 3.260 21.005 ( 5.999 -0.000 0.000) 5.999 21.159 ( -0.797 0.000 0.000) 0.797 21.210 ( -0.862 0.000 0.000) 0.862 22.707 ( -1.193 0.000 0.000) 1.193 22.954 ( 2.028 -0.000 0.000) 2.028 27.247 ( 2.571 -0.000 0.000) 2.571 27.288 ( 0.823 -0.000 0.000) 0.823 29.220 ( -3.138 0.000 0.000) 3.138 29.937 ( 1.443 -0.000 0.000) 1.443 49.273 ( 6.337 -0.000 0.000) 6.337 49.682 ( 0.932 -0.000 0.000) 0.932 53.331 ( -1.589 0.000 0.000) 1.589 54.060 ( 0.145 -0.000 0.000) 0.145 54.080 ( -6.516 0.000 0.000) 6.516 54.543 ( -4.718 0.000 0.000) 4.718 55.781 ( 3.893 -0.000 0.000) 3.893 56.013 ( 4.622 -0.000 0.000) 4.622 ======================= Grid point 42 (25/150) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -0.000 -1.930 0.000) 1.930 3.409 ( 0.000 16.811 0.000) 16.811 4.093 ( -0.000 -10.930 0.000) 10.930 4.275 ( 0.000 7.720 0.000) 7.720 4.884 ( 0.000 13.814 0.000) 13.814 5.059 ( -0.000 -2.822 0.000) 2.822 5.239 ( -0.000 -8.376 0.000) 8.376 6.095 ( -0.000 -0.593 0.000) 0.593 6.194 ( 0.000 2.080 0.000) 2.080 6.831 ( 0.000 4.664 0.000) 4.664 7.061 ( 0.000 0.681 0.000) 0.681 7.268 ( -0.000 -8.319 0.000) 8.319 7.618 ( 0.000 1.916 0.000) 1.916 7.833 ( -0.000 -3.636 0.000) 3.636 8.477 ( -0.000 -2.874 0.000) 2.874 8.771 ( 0.000 4.837 0.000) 4.837 10.157 ( -0.000 -7.675 0.000) 7.675 10.329 ( 0.000 3.616 0.000) 3.616 10.950 ( -0.000 -1.471 0.000) 1.471 15.692 ( 0.000 4.134 0.000) 4.134 15.912 ( 0.000 3.240 0.000) 3.240 16.669 ( -0.000 -4.078 0.000) 4.078 18.229 ( -0.000 -4.067 0.000) 4.067 18.276 ( -0.000 -1.998 0.000) 1.998 19.742 ( 0.000 1.882 0.000) 1.882 21.033 ( 0.000 3.166 0.000) 3.166 21.108 ( 0.000 4.288 0.000) 4.288 21.251 ( -0.000 -4.877 0.000) 4.877 22.697 ( 0.000 0.106 0.000) 0.106 22.972 ( -0.000 -0.204 0.000) 0.204 27.223 ( 0.000 4.747 0.000) 4.747 27.325 ( -0.000 -2.455 0.000) 2.455 29.206 ( -0.000 -1.699 0.000) 1.699 29.952 ( -0.000 -0.478 0.000) 0.478 49.327 ( -0.000 -0.110 0.000) 0.110 49.686 ( 0.000 0.637 0.000) 0.637 53.327 ( -0.000 -1.459 0.000) 1.459 54.026 ( -0.000 -0.132 0.000) 0.132 54.065 ( -0.000 -0.612 0.000) 0.612 54.500 ( 0.000 0.511 0.000) 0.511 55.817 ( -0.000 -0.485 0.000) 0.485 56.048 ( 0.000 0.440 0.000) 0.440 ======================= Grid point 83 (26/150) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 0.000 36.753) 36.753 0.772 ( 0.000 0.000 40.004) 40.004 1.188 ( 0.000 0.000 61.121) 61.121 4.547 ( 0.000 0.000 -0.868) 0.868 5.117 ( 0.000 0.000 4.981) 4.981 5.329 ( 0.000 0.000 -5.979) 5.979 5.701 ( 0.000 0.000 -6.122) 6.122 5.875 ( 0.000 0.000 2.300) 2.300 6.200 ( 0.000 0.000 -6.205) 6.205 6.802 ( 0.000 0.000 -1.299) 1.299 6.984 ( 0.000 0.000 -4.855) 4.855 7.495 ( 0.000 0.000 -0.935) 0.935 8.286 ( 0.000 0.000 -2.934) 2.934 8.806 ( 0.000 0.000 -3.538) 3.538 8.840 ( 0.000 0.000 6.527) 6.527 9.061 ( 0.000 0.000 3.249) 3.249 9.434 ( 0.000 0.000 1.936) 1.936 9.613 ( 0.000 0.000 2.281) 2.281 12.090 ( 0.000 0.000 -0.525) 0.525 14.319 ( 0.000 0.000 -12.490) 12.490 15.572 ( 0.000 0.000 7.845) 7.845 17.070 ( 0.000 0.000 0.881) 0.881 18.934 ( 0.000 0.000 2.348) 2.348 19.297 ( 0.000 0.000 7.900) 7.900 19.916 ( 0.000 0.000 -2.429) 2.429 20.318 ( 0.000 0.000 2.042) 2.042 21.208 ( 0.000 0.000 -0.091) 0.091 21.272 ( 0.000 0.000 -1.315) 1.315 22.586 ( 0.000 0.000 -1.420) 1.420 22.975 ( 0.000 0.000 -2.625) 2.625 26.631 ( 0.000 0.000 1.358) 1.358 27.349 ( 0.000 0.000 -1.778) 1.778 29.591 ( 0.000 0.000 0.838) 0.838 29.954 ( 0.000 0.000 -0.790) 0.790 49.391 ( 0.000 0.000 0.274) 0.274 49.509 ( 0.000 0.000 -0.235) 0.235 53.766 ( 0.000 0.000 -3.886) 3.886 54.014 ( 0.000 0.000 -4.559) 4.559 54.091 ( 0.000 0.000 -0.476) 0.476 54.378 ( 0.000 0.000 0.803) 0.803 55.873 ( 0.000 0.000 1.852) 1.852 55.890 ( 0.000 0.000 -1.366) 1.366 ======================= Grid point 84 (27/150) ======================= q-point: ( 0.11 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 16.515 -9.022 30.242) 35.619 1.072 ( 20.661 -17.007 26.085) 37.371 1.726 ( 26.121 -34.951 40.934) 59.829 4.555 ( 2.800 2.635 -0.433) 3.869 4.994 ( -11.115 3.749 4.933) 12.725 5.375 ( 0.877 -5.811 -6.096) 8.467 5.672 ( -3.654 0.512 -5.356) 6.504 5.898 ( 6.914 5.000 1.276) 8.628 6.141 ( -5.225 -0.396 -2.006) 5.611 6.786 ( 0.969 -0.200 -7.649) 7.713 7.067 ( -5.058 29.423 22.717) 37.515 7.113 ( 9.619 5.760 2.683) 11.528 7.941 ( -22.064 -11.752 13.119) 28.232 8.260 ( -2.660 1.255 -2.520) 3.873 9.037 ( 9.123 12.697 3.000) 15.920 9.165 ( 12.510 11.634 2.802) 17.311 9.586 ( -3.979 -3.626 1.016) 5.478 10.321 ( 5.776 -36.995 -33.692) 50.370 12.126 ( 13.763 11.338 0.135) 17.832 14.285 ( -11.909 -9.346 -11.062) 18.750 15.573 ( 0.729 -0.642 9.226) 9.277 17.052 ( -1.914 0.287 0.926) 2.146 18.916 ( 0.576 3.448 0.671) 3.559 19.336 ( 8.778 5.333 8.945) 13.621 19.588 ( -14.356 8.928 13.397) 21.570 20.294 ( -6.061 -3.811 2.332) 7.530 21.173 ( 0.514 4.298 -0.092) 4.329 21.308 ( -0.014 -3.725 -1.301) 3.945 22.612 ( -0.050 -2.468 -2.427) 3.462 22.965 ( -1.078 0.103 -2.609) 2.825 26.668 ( 2.178 -2.601 1.205) 3.600 27.342 ( -1.076 -0.222 -1.662) 1.992 29.587 ( 1.157 1.953 0.774) 2.398 29.947 ( -2.956 -1.518 -1.487) 3.641 49.333 ( -6.989 -0.407 0.043) 7.001 49.708 ( 16.445 7.383 -13.708) 22.647 53.781 ( 2.461 3.547 -0.965) 4.424 54.087 ( 6.452 0.083 -3.082) 7.151 54.110 ( 1.852 -0.454 0.612) 2.002 54.233 ( -10.452 -6.019 4.069) 12.729 55.852 ( -4.188 -0.125 -1.729) 4.532 55.861 ( -4.176 -1.777 0.716) 4.594 ======================= Grid point 85 (28/150) ======================= q-point: ( 0.22 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 19.046 -13.755 21.370) 31.758 1.690 ( 23.177 -20.155 16.704) 34.964 2.687 ( 30.520 -36.384 23.235) 52.869 4.547 ( 2.066 5.545 0.791) 5.970 4.700 ( -15.127 7.225 5.561) 17.662 5.485 ( 0.908 -6.653 -7.341) 9.949 5.590 ( -6.133 -1.318 -4.687) 7.830 5.947 ( 8.841 7.603 -0.969) 11.701 6.105 ( -2.731 -4.156 0.275) 4.981 6.667 ( -4.534 14.888 15.418) 21.907 6.862 ( 7.682 0.524 -11.619) 13.939 7.311 ( 11.531 -2.164 2.644) 12.026 7.868 ( -11.205 -10.775 2.647) 15.769 8.178 ( -4.517 2.221 -2.237) 5.508 9.040 ( 13.526 13.828 3.450) 19.648 9.195 ( 3.316 2.816 3.518) 5.595 9.564 ( -7.244 -7.176 2.353) 10.464 10.532 ( -8.144 -7.009 -16.821) 19.960 12.231 ( 23.777 18.782 1.756) 30.351 14.183 ( -21.344 -15.758 -7.548) 27.583 15.620 ( 2.371 -2.272 8.382) 9.002 17.004 ( -3.142 0.605 1.110) 3.387 18.873 ( 3.359 7.106 -1.731) 8.049 19.342 ( -5.932 1.941 5.354) 8.223 19.448 ( 10.727 6.080 10.024) 15.890 20.226 ( -11.182 -6.915 3.269) 13.548 21.129 ( 0.830 3.864 0.135) 3.954 21.353 ( -0.025 -3.020 -1.496) 3.370 22.644 ( 0.723 -1.791 -2.103) 2.856 22.936 ( -2.142 0.379 -2.546) 3.349 26.761 ( 3.429 -4.144 1.035) 5.477 27.322 ( -1.788 -0.328 -1.368) 2.275 29.580 ( 2.239 3.245 0.612) 3.990 29.898 ( -4.940 -1.091 -1.162) 5.191 49.197 ( -10.224 -0.986 -0.327) 10.276 49.743 ( 3.711 9.176 -9.750) 13.894 53.727 ( -0.688 5.601 5.277) 7.725 54.059 ( -3.701 -1.221 -1.060) 4.039 54.247 ( 10.218 -1.139 1.478) 10.387 54.345 ( 7.856 -6.414 -6.025) 11.796 55.760 ( -7.117 -0.202 -1.757) 7.333 55.788 ( -6.516 -0.313 0.459) 6.539 ======================= Grid point 86 (29/150) ======================= q-point: ( 0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 15.299 -12.900 17.104) 26.325 2.306 ( 21.117 -17.738 12.985) 30.482 3.575 ( 25.264 -25.707 10.972) 37.676 4.337 ( -14.083 7.463 7.426) 17.583 4.484 ( -1.835 5.049 3.058) 6.181 5.488 ( -6.412 0.504 -5.272) 8.317 5.569 ( -0.463 -3.415 -6.158) 7.057 5.976 ( 6.293 6.406 -2.447) 9.307 6.142 ( -1.280 -5.429 2.508) 6.116 6.466 ( -3.208 6.952 6.411) 9.986 7.003 ( 8.849 -0.645 -14.025) 16.596 7.528 ( 11.521 -2.265 2.309) 11.967 7.810 ( -9.112 -5.133 -1.776) 10.608 8.066 ( -6.783 0.646 0.370) 6.824 9.104 ( 16.366 13.763 3.317) 21.640 9.203 ( -0.614 -1.086 3.739) 3.941 9.555 ( -8.072 -10.643 3.754) 13.876 10.382 ( -10.401 3.995 -7.171) 13.250 12.384 ( 25.611 19.030 3.418) 32.090 14.027 ( -23.694 -16.398 -3.801) 29.064 15.694 ( 2.509 -2.363 7.234) 8.013 16.943 ( -3.044 0.743 1.434) 3.446 18.847 ( 5.207 7.164 -3.313) 9.456 19.244 ( -6.530 -2.350 -2.757) 7.468 19.563 ( 14.775 8.767 10.524) 20.148 20.123 ( -13.801 -8.388 4.782) 16.843 21.100 ( 0.805 2.543 0.344) 2.689 21.385 ( -0.058 -1.836 -1.677) 2.487 22.687 ( 1.900 -1.545 -2.003) 3.164 22.887 ( -2.963 0.801 -2.413) 3.904 26.873 ( 3.384 -3.895 0.804) 5.222 27.295 ( -1.880 -0.187 -1.023) 2.149 29.577 ( 2.901 3.364 0.411) 4.461 29.827 ( -5.242 -1.020 -0.820) 5.403 49.054 ( -8.595 -0.986 -0.739) 8.683 49.650 ( -1.407 5.908 -6.352) 8.788 53.643 ( -1.361 3.841 6.992) 8.093 54.028 ( -2.024 -0.789 -4.822) 5.289 54.446 ( 11.571 -1.278 2.889) 11.995 54.558 ( 9.325 -3.538 -6.570) 11.943 55.640 ( -7.567 -0.098 -1.580) 7.730 55.671 ( -7.352 0.517 0.398) 7.381 ======================= Grid point 87 (30/150) ======================= q-point: ( 0.44 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 6.206 -5.698 15.467) 17.612 2.779 ( 11.706 -9.417 12.755) 19.708 3.862 ( -5.553 3.974 -3.406) 7.631 4.260 ( 6.063 1.685 8.647) 10.695 4.481 ( 1.784 -10.961 10.484) 15.272 5.325 ( -6.439 5.105 -0.716) 8.248 5.602 ( 0.313 -1.349 -8.586) 8.697 5.983 ( 2.217 2.677 -3.043) 4.620 6.190 ( -0.563 -3.390 4.887) 5.974 6.366 ( -1.203 2.910 1.457) 3.470 7.130 ( 4.647 -0.416 -15.907) 16.577 7.706 ( -0.526 -4.058 -5.707) 7.022 7.758 ( 6.587 2.326 -0.290) 6.991 7.941 ( -8.665 -0.809 6.227) 10.701 9.163 ( 6.535 6.277 3.010) 9.548 9.216 ( 0.827 -0.597 3.539) 3.683 9.591 ( -3.282 -7.643 4.860) 9.634 10.170 ( -5.581 4.816 -3.291) 8.073 12.517 ( 12.330 8.778 4.474) 15.782 13.890 ( -11.619 -7.741 -1.541) 14.046 15.748 ( 1.093 -1.006 6.546) 6.713 16.898 ( -1.299 0.364 1.717) 2.184 18.846 ( 2.776 3.136 -3.414) 5.403 19.192 ( -2.984 -1.474 -7.273) 7.999 19.670 ( 9.043 5.442 9.827) 14.421 20.023 ( -8.721 -5.252 6.411) 12.031 21.086 ( 0.337 0.876 0.459) 1.045 21.400 ( -0.032 -0.606 -1.778) 1.879 22.744 ( 2.505 -1.280 -2.144) 3.536 22.825 ( -2.899 1.046 -2.192) 3.782 26.954 ( 1.553 -1.671 0.617) 2.363 27.271 ( -0.938 0.019 -0.781) 1.220 29.582 ( 1.715 1.620 0.241) 2.371 29.770 ( -2.645 -0.618 -0.593) 2.780 48.964 ( -3.320 -0.403 -0.995) 3.489 49.573 ( -1.050 1.989 -5.126) 5.598 53.592 ( -0.569 1.355 7.224) 7.372 54.013 ( -0.676 -0.218 -5.969) 6.011 54.611 ( 5.776 -0.552 3.756) 6.912 54.708 ( 4.315 -1.242 -6.865) 8.203 55.542 ( -3.788 -0.050 -1.256) 3.991 55.565 ( -3.807 0.455 0.227) 3.841 ======================= Grid point 93 (31/150) ======================= q-point: ( 0.11 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 30.110 -0.000 17.910) 35.034 1.447 ( 32.306 -0.000 21.087) 38.579 2.003 ( 38.020 -0.000 35.329) 51.901 4.623 ( 2.512 -0.000 0.212) 2.521 4.801 ( -15.104 0.000 4.507) 15.762 5.378 ( 3.990 -0.000 -6.208) 7.380 5.574 ( -7.641 0.000 -2.723) 8.111 6.033 ( -6.436 0.000 0.388) 6.448 6.077 ( 9.970 -0.000 -0.152) 9.971 6.768 ( -2.084 0.000 -7.636) 7.915 7.170 ( -3.423 0.000 15.168) 15.549 7.433 ( -4.144 0.000 -2.179) 4.681 7.435 ( 2.079 -0.000 14.670) 14.817 8.210 ( -4.569 0.000 -3.351) 5.666 9.173 ( 0.953 -0.000 5.425) 5.509 9.276 ( -3.493 0.000 1.314) 3.732 9.467 ( -7.613 0.000 0.480) 7.628 10.394 ( 18.636 -0.000 -26.471) 32.373 12.525 ( 25.389 -0.000 -0.182) 25.390 13.929 ( -23.868 0.000 -7.309) 24.962 15.592 ( 2.453 -0.000 9.178) 9.500 17.010 ( -3.488 0.000 0.850) 3.590 18.975 ( 4.033 -0.000 -3.086) 5.078 19.370 ( -15.393 0.000 10.267) 18.503 19.560 ( 14.121 -0.000 9.662) 17.110 20.123 ( -11.791 0.000 3.954) 12.437 21.227 ( 0.941 -0.000 -0.289) 0.985 21.267 ( -0.396 0.000 -1.173) 1.238 22.609 ( 1.512 -0.000 -1.557) 2.170 22.941 ( -1.977 0.000 -2.576) 3.247 26.703 ( 4.156 -0.000 1.112) 4.302 27.317 ( -1.756 0.000 -1.464) 2.287 29.628 ( 2.228 -0.000 0.522) 2.289 29.873 ( -4.889 0.000 -0.580) 4.923 49.178 ( -10.712 0.000 0.203) 10.714 49.939 ( 1.417 -0.000 -21.988) 22.033 53.888 ( 4.240 -0.000 -9.087) 10.027 53.941 ( -11.792 0.000 16.939) 20.639 54.187 ( 7.445 -0.000 5.209) 9.086 54.273 ( 14.324 -0.000 -5.918) 15.498 55.768 ( -5.958 0.000 -2.941) 6.644 55.772 ( -5.900 0.000 1.513) 6.091 ======================= Grid point 94 (32/150) ======================= q-point: ( 0.22 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 31.706 4.470 13.229) 34.645 1.973 ( 32.020 -3.243 17.183) 36.483 2.818 ( 35.858 -24.983 21.011) 48.492 4.503 ( -15.993 3.787 3.338) 16.771 4.612 ( -4.856 2.969 3.502) 6.682 5.469 ( 0.241 -1.028 -4.727) 4.844 5.481 ( 0.276 -2.261 -3.259) 3.976 5.954 ( -5.782 -3.201 1.413) 6.758 6.204 ( 9.283 4.615 -2.022) 10.563 6.653 ( -8.958 4.091 6.927) 12.040 7.052 ( 5.327 7.073 -9.587) 13.051 7.436 ( -1.726 -7.995 3.057) 8.732 7.634 ( 8.701 -3.384 4.822) 10.507 8.116 ( -6.077 1.014 -3.277) 6.979 9.051 ( -14.430 -6.175 3.637) 16.111 9.334 ( -4.027 0.267 1.536) 4.318 9.378 ( 6.854 0.641 4.061) 7.992 10.564 ( 7.070 6.063 -14.378) 17.132 12.874 ( 25.688 16.006 0.432) 30.270 13.583 ( -26.080 -15.125 -2.912) 30.289 15.651 ( 3.994 -0.796 8.271) 9.219 16.947 ( -4.213 -0.149 1.009) 4.334 19.023 ( 3.893 5.407 -3.287) 7.430 19.173 ( -9.177 -2.862 0.458) 9.624 19.766 ( 13.093 5.807 8.983) 16.907 19.939 ( -12.201 -5.264 6.256) 14.687 21.192 ( 0.329 4.161 -0.308) 4.185 21.306 ( -0.183 -3.903 -1.174) 4.080 22.648 ( 2.324 -1.065 -1.785) 3.118 22.902 ( -2.712 0.291 -2.477) 3.684 26.794 ( 5.432 -1.703 0.963) 5.773 27.289 ( -1.807 -0.191 -1.127) 2.138 29.655 ( 2.641 2.181 0.229) 3.432 29.790 ( -6.179 -1.437 -0.451) 6.360 49.019 ( -9.079 -1.030 -0.076) 9.138 49.837 ( -5.488 5.891 -12.633) 14.981 53.752 ( -5.384 4.035 9.901) 11.971 53.967 ( -0.831 -3.621 -7.204) 8.106 54.360 ( 9.938 -3.171 5.951) 12.010 54.519 ( 14.701 -0.177 -6.461) 16.059 55.653 ( -6.673 0.958 -1.114) 6.833 55.674 ( -6.840 -0.388 -0.720) 6.889 ======================= Grid point 95 (33/150) ======================= q-point: ( 0.33 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 28.584 8.199 12.114) 32.109 2.533 ( 27.345 -6.896 14.509) 31.714 3.659 ( 23.412 -21.821 6.569) 32.672 4.203 ( -10.695 2.362 7.264) 13.142 4.421 ( -13.042 2.714 6.443) 14.798 5.432 ( -1.766 2.344 -2.557) 3.893 5.577 ( 4.573 -1.254 -5.361) 7.157 5.916 ( -6.611 -5.187 3.651) 9.162 6.257 ( 6.745 6.333 -4.306) 10.205 6.480 ( -3.795 4.295 5.457) 7.914 7.100 ( 2.939 -0.195 -16.057) 16.325 7.496 ( -4.891 -10.345 -0.437) 11.451 7.814 ( 11.608 3.161 1.364) 12.108 8.005 ( -3.193 2.101 1.030) 3.959 8.910 ( -18.262 -12.031 3.664) 22.173 9.228 ( -10.862 -5.372 1.409) 12.199 9.550 ( 15.926 4.257 6.056) 17.562 10.509 ( 4.714 14.420 -6.798) 16.625 12.738 ( -18.163 7.303 2.998) 19.804 13.684 ( 15.329 -7.101 -1.045) 16.926 15.728 ( 4.034 -0.475 7.261) 8.320 16.887 ( -3.610 -0.849 1.382) 3.958 18.913 ( -8.293 1.634 -2.455) 8.802 19.183 ( 4.915 0.726 -6.837) 8.451 19.668 ( -15.389 -3.711 9.180) 18.300 20.035 ( 15.167 4.077 6.990) 17.191 21.144 ( -0.183 3.275 0.008) 3.280 21.348 ( -0.362 -3.164 -1.465) 3.506 22.708 ( 3.140 -1.236 -1.986) 3.915 22.848 ( -3.082 0.653 -2.290) 3.895 26.907 ( 5.279 -1.615 0.732) 5.569 27.267 ( -1.153 -0.275 -0.801) 1.430 29.630 ( -2.927 1.792 0.102) 3.433 29.747 ( -0.450 -1.079 -0.412) 1.239 48.930 ( -3.783 -1.609 -0.501) 4.141 49.678 ( -4.258 4.929 -7.401) 9.858 53.637 ( -4.195 1.861 8.182) 9.381 53.987 ( -0.517 -1.631 -7.128) 7.330 54.538 ( 5.140 -3.455 4.804) 7.838 54.714 ( 8.980 0.769 -6.454) 11.086 55.551 ( -3.797 0.637 -0.498) 3.882 55.580 ( -3.654 0.545 -1.028) 3.834 ======================= Grid point 96 (34/150) ======================= q-point: ( 0.44 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 19.556 14.874 11.012) 26.925 2.942 ( 14.346 2.466 14.578) 20.601 3.777 ( -7.698 -1.304 -5.754) 9.699 4.184 ( -13.093 -2.080 9.380) 16.240 4.469 ( 15.296 -13.376 11.804) 23.499 5.332 ( -1.663 5.739 -0.821) 6.031 5.650 ( 4.315 1.624 -6.257) 7.772 5.865 ( -8.139 -5.173 2.788) 10.039 6.281 ( 4.589 2.777 -3.652) 6.489 6.404 ( 0.500 4.986 2.565) 5.629 7.097 ( -5.420 -2.202 -13.231) 14.467 7.588 ( 1.030 -8.360 -6.143) 10.426 7.791 ( -5.966 3.050 -6.932) 9.641 8.076 ( 14.503 5.804 9.887) 18.487 8.777 ( -21.052 -15.900 3.526) 26.616 9.135 ( -11.217 -7.646 1.885) 13.705 9.753 ( 15.663 5.098 6.381) 17.664 10.397 ( 8.759 16.008 -2.819) 18.464 12.303 ( -32.837 -6.933 5.750) 34.050 14.067 ( 28.130 5.259 -1.669) 28.665 15.779 ( 2.433 1.208 6.603) 7.140 16.863 ( -1.542 -2.070 1.771) 3.130 18.766 ( -10.161 -2.610 -5.076) 11.654 19.249 ( 4.682 2.396 -5.362) 7.511 19.482 ( -15.139 -6.859 10.411) 19.611 20.217 ( 16.644 7.606 4.949) 18.957 21.101 ( -0.829 1.917 0.281) 2.108 21.378 ( -0.420 -2.251 -1.678) 2.838 22.767 ( 0.492 0.165 -2.216) 2.276 22.801 ( 0.219 -0.395 -2.022) 2.072 26.986 ( 3.088 0.669 0.570) 3.210 27.264 ( 0.430 -0.467 -0.655) 0.912 29.549 ( -5.486 -0.900 0.326) 5.569 29.781 ( 3.384 0.242 -0.670) 3.458 48.944 ( 2.719 -1.597 -0.809) 3.255 49.586 ( -1.035 2.442 -5.105) 5.752 53.569 ( -2.912 -0.372 7.046) 7.633 54.001 ( 0.298 -0.965 -6.354) 6.434 54.577 ( -5.285 -2.026 3.356) 6.580 54.761 ( -1.055 1.865 -5.860) 6.239 55.539 ( 2.792 -0.387 -0.123) 2.821 55.575 ( 4.608 1.163 -1.069) 4.871 ======================= Grid point 97 (35/150) ======================= q-point: (-0.44 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 5.538 25.046 10.737) 27.808 2.808 ( -8.729 19.049 11.294) 23.804 3.820 ( -2.753 -6.447 0.769) 7.052 4.144 ( 3.584 -7.864 11.335) 14.254 4.571 ( -4.427 9.612 7.045) 12.713 5.386 ( 8.685 -5.282 -1.262) 10.243 5.672 ( 2.709 3.020 -6.906) 8.009 5.796 ( -8.132 -4.564 0.377) 9.333 6.330 ( -3.132 -0.316 -0.353) 3.168 6.343 ( 6.000 4.935 0.983) 7.831 7.006 ( -7.391 -0.592 -10.675) 12.997 7.610 ( -7.839 3.159 -3.324) 9.081 7.758 ( 4.548 -6.069 -10.566) 13.006 8.207 ( 12.881 8.635 8.892) 17.876 8.657 ( -21.692 -18.357 3.457) 28.627 9.071 ( -10.429 -9.037 2.029) 13.948 9.858 ( 9.453 10.490 5.814) 15.271 10.445 ( 17.606 8.110 -1.860) 19.473 11.914 ( -33.081 -15.856 6.814) 37.312 14.409 ( 27.746 12.058 -3.921) 30.506 15.770 ( 0.205 3.220 6.532) 7.286 16.894 ( 0.899 -3.045 1.909) 3.705 18.669 ( -8.641 -6.024 -5.197) 11.746 19.224 ( -10.652 -6.101 6.122) 13.717 19.412 ( 0.808 0.163 2.457) 2.592 20.361 ( 14.728 9.048 2.971) 17.539 21.068 ( -1.319 0.274 0.459) 1.423 21.394 ( -0.304 -1.160 -1.770) 2.137 22.723 ( -2.121 1.182 -1.952) 3.116 22.861 ( 3.385 -1.073 -2.287) 4.224 26.980 ( 0.081 3.857 0.611) 3.906 27.292 ( 1.966 -0.465 -0.784) 2.167 29.491 ( -4.681 -2.936 0.592) 5.557 29.842 ( 4.403 0.211 -0.992) 4.518 49.050 ( 7.687 -1.202 -0.877) 7.830 49.574 ( 1.010 -0.087 -3.968) 4.095 53.554 ( -1.558 -2.796 6.200) 6.977 54.024 ( 1.090 -0.809 -5.228) 5.401 54.445 ( -11.791 -0.595 2.025) 11.979 54.655 ( -7.092 2.956 -5.561) 9.485 55.634 ( 6.957 -0.940 -0.123) 7.021 55.676 ( 8.989 1.307 -1.019) 9.140 ======================= Grid point 98 (36/150) ======================= q-point: (-0.33 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -2.844 30.260 11.629) 32.542 2.318 ( -13.437 25.202 11.145) 30.658 3.565 ( -14.976 24.364 15.264) 32.417 4.394 ( -5.012 -2.761 2.316) 6.172 4.457 ( 14.712 -9.827 7.637) 19.270 5.573 ( 4.683 -2.912 -6.143) 8.255 5.672 ( 2.204 2.908 -5.345) 6.472 5.735 ( -6.531 -4.442 0.137) 7.900 6.234 ( -3.624 3.393 -2.909) 5.754 6.406 ( 1.312 -2.665 5.614) 6.351 6.900 ( -4.005 1.796 -7.504) 8.694 7.421 ( -7.747 5.391 -3.233) 9.977 7.926 ( 5.640 -5.864 -8.314) 11.633 8.259 ( 8.478 9.236 6.803) 14.264 8.580 ( -18.459 -19.480 4.174) 27.160 9.034 ( -9.169 -8.911 2.164) 12.968 9.825 ( 6.194 11.764 5.075) 14.231 10.679 ( 18.847 4.275 -5.206) 20.015 11.681 ( -25.813 -21.107 6.052) 33.888 14.621 ( 21.219 15.930 -7.491) 27.570 15.710 ( -1.094 4.296 7.074) 8.348 16.961 ( 2.081 -2.965 1.729) 4.013 18.657 ( -4.549 -8.387 -2.366) 9.830 19.132 ( -13.540 -10.923 10.514) 20.327 19.444 ( 5.075 3.256 1.227) 6.153 20.448 ( 10.892 9.241 1.607) 14.375 21.055 ( -1.293 -1.502 0.525) 2.050 21.398 ( -0.140 0.167 -1.758) 1.771 22.682 ( -1.081 1.089 -1.947) 2.479 22.922 ( 2.573 -0.677 -2.451) 3.618 26.900 ( -1.431 5.932 0.802) 6.155 27.329 ( 1.957 0.046 -1.084) 2.238 29.477 ( -2.988 -4.194 0.770) 5.207 29.911 ( 4.135 -0.041 -1.343) 4.347 49.202 ( 8.788 -0.808 -0.695) 8.852 49.600 ( -0.160 -1.746 -3.272) 3.712 53.589 ( -0.578 -4.823 5.284) 7.177 54.055 ( 1.231 -0.893 -3.485) 3.802 54.256 ( -10.971 0.032 0.967) 11.013 54.489 ( -6.869 3.940 -6.192) 10.052 55.759 ( 6.543 -0.716 -0.369) 6.593 55.804 ( 8.489 1.280 -0.951) 8.638 ======================= Grid point 99 (37/150) ======================= q-point: (-0.22 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -2.631 32.088 13.023) 34.730 1.752 ( -10.959 29.347 14.746) 34.623 2.834 ( -15.398 43.383 25.826) 52.785 4.416 ( -2.643 -7.442 0.770) 7.935 4.811 ( 11.498 -9.376 6.233) 16.093 5.608 ( 1.348 5.550 -8.041) 9.863 5.641 ( -2.752 -0.228 -3.547) 4.495 5.720 ( -2.150 -4.673 -0.160) 5.146 6.156 ( -2.331 -0.070 -4.297) 4.889 6.456 ( -2.862 -7.358 12.119) 14.464 6.847 ( 0.672 1.752 -2.589) 3.197 7.230 ( -5.885 6.549 -3.936) 9.644 8.081 ( 5.765 -3.621 -3.586) 7.694 8.258 ( 4.796 6.187 3.676) 8.648 8.579 ( -13.255 -18.325 5.003) 23.164 9.009 ( -6.743 -6.982 2.612) 10.052 9.764 ( 3.613 9.513 4.013) 10.939 10.868 ( 12.751 8.222 -14.243) 20.810 11.647 ( -13.956 -22.222 3.958) 26.538 14.665 ( 11.293 16.940 -10.988) 23.135 15.635 ( -0.986 3.985 8.028) 9.017 17.026 ( 1.592 -2.048 1.417) 2.956 18.736 ( -0.363 -8.889 2.064) 9.132 19.095 ( -9.220 -11.672 9.588) 17.697 19.486 ( 4.124 1.147 5.412) 6.900 20.466 ( 5.804 8.397 1.081) 10.265 21.069 ( -0.731 -3.104 0.451) 3.221 21.384 ( -0.038 1.639 -1.672) 2.342 22.660 ( -0.042 1.029 -2.374) 2.588 22.960 ( 1.288 -0.315 -2.555) 2.878 26.793 ( -1.387 6.353 1.034) 6.585 27.351 ( 1.120 0.367 -1.409) 1.837 29.500 ( -1.319 -4.320 0.829) 4.593 29.969 ( 2.710 0.006 -1.829) 3.270 49.330 ( 4.949 -0.849 -0.317) 5.032 49.591 ( -3.418 -0.892 -2.229) 4.177 53.653 ( -0.346 -5.574 3.855) 6.786 54.071 ( -1.994 -0.816 -1.468) 2.607 54.125 ( -3.855 0.230 -0.485) 3.892 54.363 ( -1.554 3.505 -6.719) 7.736 55.851 ( 3.730 -0.382 -0.517) 3.785 55.903 ( 5.602 1.351 -1.289) 5.905 ======================= Grid point 100 (38/150) ======================= q-point: (-0.11 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.000 29.796 18.184) 34.906 1.243 ( 0.000 30.687 21.094) 37.238 2.069 ( 0.000 47.166 37.982) 60.558 4.479 ( -0.000 -5.230 -0.167) 5.233 5.023 ( -0.000 -6.895 5.541) 8.846 5.486 ( 0.000 10.695 -6.206) 12.365 5.657 ( -0.000 -4.192 -5.047) 6.561 5.772 ( -0.000 -5.433 0.593) 5.465 6.169 ( -0.000 -2.557 -4.800) 5.439 6.568 ( -0.000 -18.201 20.400) 27.340 6.869 ( -0.000 -3.397 6.493) 7.328 7.083 ( 0.000 6.606 -5.402) 8.533 8.196 ( -0.000 -1.808 4.915) 5.237 8.255 ( -0.000 -0.743 -1.454) 1.633 8.648 ( -0.000 -13.071 6.236) 14.482 9.021 ( -0.000 -3.927 3.013) 4.949 9.686 ( 0.000 6.691 2.530) 7.153 10.787 ( 0.000 23.163 -29.463) 37.478 11.810 ( -0.000 -18.839 1.630) 18.909 14.544 ( 0.000 14.791 -12.483) 19.354 15.584 ( 0.000 2.258 8.950) 9.230 17.060 ( -0.000 -1.005 1.137) 1.517 18.847 ( -0.000 -7.014 3.870) 8.011 19.159 ( -0.000 -9.626 8.040) 12.542 19.561 ( -0.000 -7.325 11.891) 13.966 20.413 ( 0.000 6.587 1.377) 6.730 21.111 ( -0.000 -4.148 0.227) 4.154 21.353 ( 0.000 2.979 -1.519) 3.344 22.646 ( 0.000 1.555 -3.343) 3.687 22.973 ( -0.000 -0.141 -2.602) 2.606 26.702 ( 0.000 5.088 1.225) 5.233 27.355 ( 0.000 0.377 -1.634) 1.677 29.542 ( -0.000 -3.419 0.811) 3.514 29.989 ( 0.000 0.675 -2.448) 2.540 49.375 ( -0.000 -0.949 0.310) 0.998 49.537 ( 0.000 1.839 -0.406) 1.884 53.717 ( -0.000 -4.331 1.809) 4.694 54.037 ( 0.000 0.617 -2.953) 3.017 54.103 ( 0.000 0.418 -0.796) 0.899 54.347 ( -0.000 -0.067 -4.880) 4.880 55.884 ( -0.000 -0.056 -0.713) 0.716 55.933 ( 0.000 1.671 -1.805) 2.460 ======================= Grid point 103 (39/150) ======================= q-point: ( 0.22 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 30.752 -0.000 9.192) 32.097 2.566 ( 35.394 -0.000 9.612) 36.676 3.206 ( 33.718 -0.000 18.977) 38.691 4.258 ( -17.197 0.000 2.042) 17.318 4.464 ( -15.481 0.000 7.600) 17.246 5.471 ( 3.619 -0.000 -0.453) 3.647 5.544 ( 4.865 -0.000 -4.443) 6.589 5.830 ( -6.400 0.000 3.473) 7.282 6.381 ( 8.192 -0.000 -3.937) 9.089 6.526 ( -8.802 0.000 3.246) 9.381 7.209 ( 6.121 -0.000 -12.236) 13.682 7.224 ( -8.291 0.000 -2.982) 8.811 7.886 ( 17.700 -0.000 8.909) 19.816 8.011 ( -7.436 0.000 -4.532) 8.708 8.725 ( -19.031 0.000 3.917) 19.430 9.146 ( -11.488 0.000 0.164) 11.489 9.617 ( 14.854 -0.000 6.645) 16.272 10.725 ( 5.853 -0.000 -9.179) 10.887 12.850 ( -41.256 0.000 2.183) 41.313 13.574 ( 36.978 -0.000 -0.608) 36.983 15.723 ( 5.209 -0.000 7.773) 9.357 16.873 ( -4.536 0.000 1.168) 4.684 18.933 ( -13.497 0.000 -2.497) 13.726 19.201 ( 9.140 -0.000 -5.963) 10.913 19.606 ( -19.159 0.000 9.457) 21.366 20.101 ( 18.214 -0.000 6.697) 19.406 21.243 ( -1.126 0.000 -0.802) 1.383 21.250 ( 0.237 -0.000 -0.773) 0.808 22.689 ( 3.515 -0.000 -1.849) 3.972 22.857 ( -3.070 0.000 -2.321) 3.849 26.883 ( 6.682 -0.000 0.800) 6.730 27.262 ( -1.203 0.000 -0.789) 1.439 29.661 ( -7.797 0.000 -0.004) 7.797 29.726 ( 3.600 -0.000 -0.247) 3.608 48.905 ( -3.746 0.000 -0.145) 3.749 49.759 ( -7.093 0.000 -9.305) 11.701 53.669 ( -6.682 0.000 9.512) 11.625 53.955 ( 0.971 -0.000 -8.815) 8.868 54.485 ( 6.780 -0.000 6.386) 9.314 54.725 ( 9.546 -0.000 -6.536) 11.569 55.562 ( -4.932 0.000 0.557) 4.964 55.589 ( -2.537 0.000 -2.520) 3.576 ======================= Grid point 104 (40/150) ======================= q-point: ( 0.33 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 27.602 4.366 5.537) 28.489 3.038 ( 32.508 8.361 10.965) 35.311 3.731 ( 5.719 -3.587 2.536) 7.211 4.051 ( -0.729 -11.765 8.269) 14.399 4.179 ( -16.097 0.616 12.962) 20.677 5.493 ( 1.915 5.774 -1.404) 6.243 5.648 ( 6.001 -3.090 -2.818) 7.314 5.738 ( -8.276 -2.646 6.837) 11.056 6.384 ( -1.926 3.870 -4.136) 5.983 6.496 ( 4.031 0.960 -2.834) 5.020 7.076 ( -6.172 1.293 -6.142) 8.803 7.366 ( 4.382 -7.000 -12.876) 15.297 7.869 ( -7.303 2.185 -5.812) 9.586 8.167 ( 16.680 1.140 9.331) 19.147 8.452 ( -20.631 -7.093 4.462) 22.268 8.980 ( -11.516 -2.960 0.369) 11.896 9.850 ( 15.573 1.916 8.007) 17.615 10.750 ( 4.806 8.014 -4.642) 10.434 12.172 ( -43.009 -2.640 6.469) 43.572 14.160 ( 35.596 1.749 -1.596) 35.675 15.806 ( 5.118 0.652 7.173) 8.835 16.812 ( -3.753 -1.315 1.539) 4.264 18.717 ( -13.505 -0.984 -6.090) 14.847 19.290 ( -12.138 0.235 7.017) 14.022 19.363 ( 1.824 -1.691 0.014) 2.487 20.369 ( 17.319 3.201 4.014) 18.064 21.180 ( -1.115 3.757 -0.388) 3.938 21.292 ( -0.751 -3.923 -1.215) 4.175 22.756 ( 4.034 -0.462 -2.020) 4.535 22.805 ( -2.978 0.254 -2.074) 3.638 26.994 ( 6.411 0.052 0.582) 6.437 27.253 ( -0.130 -0.297 -0.508) 0.602 29.534 ( -7.721 -0.261 0.362) 7.734 29.785 ( 3.660 0.060 -0.688) 3.724 48.905 ( 2.828 -0.951 -0.385) 3.008 49.655 ( -3.518 1.855 -6.119) 7.298 53.567 ( -5.463 0.075 7.216) 9.051 53.975 ( 0.741 -0.734 -7.243) 7.317 54.533 ( -2.608 -0.987 5.086) 5.800 54.793 ( -0.879 0.537 -6.266) 6.350 55.530 ( 1.474 -0.176 0.335) 1.522 55.605 ( 5.268 0.781 -1.976) 5.681 ======================= Grid point 105 (41/150) ======================= q-point: ( 0.44 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 16.299 17.334 2.199) 23.895 3.308 ( 6.035 20.450 14.164) 25.597 3.565 ( -2.067 -9.835 -0.845) 10.085 3.974 ( -5.508 -3.884 11.684) 13.488 4.517 ( 13.153 -14.360 8.773) 21.358 5.413 ( 0.647 7.026 -0.844) 7.106 5.616 ( -10.218 -3.264 6.155) 12.367 5.789 ( 6.260 -1.547 -2.667) 6.979 6.309 ( -3.488 2.052 -4.534) 6.077 6.521 ( 4.031 5.038 -4.498) 7.865 6.987 ( -3.824 -0.283 -5.914) 7.048 7.534 ( 4.291 -7.291 -13.516) 15.946 7.721 ( -7.218 2.059 -7.112) 10.340 8.226 ( -19.875 -11.125 5.281) 23.381 8.404 ( 13.583 3.463 8.793) 16.547 8.854 ( -10.850 -5.372 0.877) 12.138 10.050 ( 13.045 4.113 8.408) 16.056 10.716 ( 7.619 9.942 -1.611) 12.628 11.577 ( -39.397 -9.132 9.451) 41.532 14.650 ( 31.022 6.045 -3.552) 31.805 15.854 ( 3.304 2.814 6.699) 7.982 16.798 ( -1.756 -3.573 1.988) 4.450 18.541 ( -11.465 -3.465 -6.697) 13.722 19.049 ( -18.001 -5.248 13.212) 22.937 19.468 ( 7.923 2.326 -3.289) 8.888 20.567 ( 14.681 5.924 1.581) 15.910 21.113 ( -1.553 2.953 -0.025) 3.336 21.329 ( -0.793 -3.593 -1.476) 3.965 22.749 ( -2.492 0.721 -1.854) 3.189 22.835 ( 3.925 -0.853 -2.142) 4.552 27.065 ( 3.937 2.456 0.464) 4.663 27.272 ( 1.542 -0.971 -0.457) 1.879 29.429 ( -6.518 -1.617 0.709) 6.753 29.843 ( 3.635 -0.046 -1.075) 3.791 49.010 ( 7.775 -1.402 -0.517) 7.917 49.606 ( 0.158 1.668 -4.029) 4.364 53.499 ( -3.963 -1.388 5.785) 7.148 53.998 ( 0.861 -0.930 -5.848) 5.984 54.430 ( -10.237 -0.419 3.278) 10.757 54.708 ( -7.134 1.163 -5.532) 9.102 55.608 ( 6.439 -0.853 0.512) 6.515 55.716 ( 9.332 1.376 -2.012) 9.645 ======================= Grid point 106 (42/150) ======================= q-point: (-0.44 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -2.125 26.613 6.834) 27.559 2.922 ( -11.101 17.936 4.939) 21.664 3.771 ( 10.228 -0.232 10.697) 14.801 4.160 ( 12.063 -11.005 6.925) 17.737 4.617 ( -4.921 10.025 7.684) 13.556 5.415 ( -0.056 -4.916 -2.436) 5.486 5.532 ( -5.896 -6.020 4.810) 9.702 5.871 ( 6.669 5.097 -4.709) 9.625 6.212 ( -7.375 -1.288 -3.409) 8.226 6.510 ( 4.268 6.220 -3.535) 8.331 6.950 ( -0.349 1.737 -5.648) 5.919 7.552 ( -5.844 3.657 -5.939) 9.099 7.724 ( 3.183 -8.294 -13.913) 16.507 8.085 ( -18.985 -15.978 5.056) 25.324 8.524 ( 10.774 8.951 9.549) 16.952 8.781 ( -9.262 -8.589 0.746) 12.653 10.122 ( 6.842 9.354 7.581) 13.849 10.785 ( 12.424 4.103 -0.542) 13.095 11.179 ( -29.695 -15.873 10.518) 35.276 14.979 ( 22.902 10.578 -6.801) 26.127 15.835 ( 0.955 4.917 6.565) 8.258 16.847 ( 0.257 -5.275 2.255) 5.743 18.458 ( -6.433 -6.314 -3.948) 9.841 18.865 ( -15.671 -8.387 13.055) 22.053 19.542 ( 6.142 3.651 -1.657) 7.334 20.681 ( 10.605 7.789 -0.159) 13.159 21.056 ( -1.572 1.624 0.300) 2.280 21.361 ( -0.493 -2.828 -1.579) 3.276 22.705 ( -1.678 0.689 -1.675) 2.470 22.903 ( 3.108 -0.704 -2.297) 3.928 27.053 ( 1.168 5.271 0.541) 5.426 27.318 ( 2.222 -0.884 -0.668) 2.483 29.374 ( -4.344 -3.337 0.959) 5.561 29.902 ( 3.200 -0.496 -1.394) 3.525 49.168 ( 8.755 -1.366 -0.404) 8.870 49.605 ( 1.649 1.255 -2.547) 3.283 53.479 ( -2.342 -3.338 4.785) 6.286 54.026 ( 0.818 -1.144 -4.625) 4.834 54.255 ( -10.770 -0.087 1.955) 10.946 54.563 ( -7.565 1.883 -5.440) 9.506 55.731 ( 6.472 -1.157 0.577) 6.599 55.845 ( 8.561 1.546 -2.166) 8.965 ======================= Grid point 107 (43/150) ======================= q-point: (-0.33 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -4.174 26.327 9.751) 28.383 2.489 ( -6.926 26.163 5.735) 27.665 3.809 ( 6.097 23.530 15.661) 28.915 4.281 ( -9.329 4.030 3.677) 10.807 4.538 ( 10.925 -10.258 7.639) 16.821 5.414 ( -8.277 -8.664 0.557) 11.995 5.607 ( 1.145 -5.728 -1.506) 6.032 5.881 ( 5.381 8.031 -6.062) 11.411 6.115 ( -6.500 -1.427 -4.614) 8.098 6.490 ( 2.600 5.746 0.469) 6.325 6.918 ( 0.768 3.570 -4.582) 5.859 7.404 ( -4.139 5.799 -5.991) 9.308 7.888 ( 2.529 -8.893 -11.443) 14.712 8.061 ( -11.955 -18.806 5.593) 22.975 8.520 ( 5.572 10.708 8.942) 15.023 8.782 ( -5.778 -9.394 0.957) 11.070 10.055 ( 3.033 11.616 6.610) 13.705 10.954 ( 9.589 -0.319 -2.561) 9.930 11.057 ( -15.122 -20.431 9.219) 27.039 15.094 ( 11.893 14.495 -10.372) 21.427 15.767 ( -0.217 5.708 6.877) 8.939 16.930 ( 0.860 -5.253 2.154) 5.743 18.503 ( -0.454 -8.217 1.105) 8.304 18.777 ( -10.891 -11.326 10.879) 19.111 19.568 ( 3.367 4.050 0.429) 5.284 20.702 ( 5.580 8.802 -0.851) 10.457 21.024 ( -0.957 -0.071 0.541) 1.102 21.385 ( -0.174 -1.580 -1.635) 2.280 22.678 ( -0.657 0.518 -1.711) 1.904 22.949 ( 1.615 -0.461 -2.426) 2.950 26.976 ( -0.122 7.055 0.721) 7.092 27.355 ( 1.295 -0.186 -0.973) 1.631 29.377 ( -1.936 -4.632 1.045) 5.128 29.955 ( 2.043 -0.862 -1.656) 2.768 49.301 ( 5.085 -1.033 -0.047) 5.189 49.610 ( 0.976 1.531 -1.401) 2.293 53.509 ( -0.951 -4.995 4.007) 6.474 54.047 ( -0.570 -0.991 -2.900) 3.117 54.121 ( -5.267 -0.420 0.389) 5.298 54.436 ( -4.316 2.198 -5.989) 7.702 55.830 ( 3.721 -1.067 0.483) 3.901 55.939 ( 5.258 1.383 -2.309) 5.907 ======================= Grid point 108 (44/150) ======================= q-point: (-0.22 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 0.000 32.796 6.172) 33.372 2.047 ( 0.000 27.514 13.011) 30.436 3.322 ( 0.000 45.074 22.817) 50.520 4.283 ( -0.000 -8.571 1.429) 8.689 4.783 ( -0.000 -10.560 6.709) 12.511 5.455 ( -0.000 -9.291 0.333) 9.297 5.676 ( -0.000 -3.476 -2.952) 4.560 5.800 ( 0.000 11.245 -6.680) 13.079 6.083 ( -0.000 -2.979 -4.738) 5.596 6.442 ( 0.000 3.845 5.040) 6.340 6.883 ( 0.000 2.641 -2.325) 3.518 7.279 ( 0.000 7.382 -6.110) 9.583 8.028 ( -0.000 -8.544 -8.173) 11.824 8.212 ( -0.000 -18.830 6.126) 19.802 8.429 ( 0.000 9.892 6.856) 12.035 8.849 ( -0.000 -8.450 1.777) 8.634 9.929 ( 0.000 11.037 5.514) 12.338 11.038 ( 0.000 1.833 -8.102) 8.307 11.226 ( -0.000 -23.339 6.796) 24.308 14.982 ( 0.000 16.682 -12.122) 20.621 15.690 ( 0.000 5.312 7.438) 9.140 17.000 ( -0.000 -3.849 1.809) 4.253 18.622 ( -0.000 -8.766 4.676) 9.935 18.845 ( -0.000 -13.043 8.523) 15.581 19.546 ( 0.000 3.123 2.949) 4.296 20.629 ( 0.000 9.023 -0.366) 9.031 21.029 ( -0.000 -1.781 0.598) 1.879 21.395 ( -0.000 -0.000 -1.694) 1.694 22.668 ( 0.000 0.463 -2.030) 2.082 22.967 ( -0.000 -0.302 -2.514) 2.532 26.876 ( 0.000 7.467 0.916) 7.523 27.365 ( 0.000 0.244 -1.251) 1.275 29.427 ( -0.000 -4.943 0.977) 5.039 29.984 ( -0.000 -0.782 -1.871) 2.028 49.351 ( -0.000 -0.769 0.313) 0.831 49.592 ( 0.000 2.135 -0.754) 2.265 53.574 ( -0.000 -5.741 3.567) 6.759 54.038 ( -0.000 -0.322 -0.755) 0.821 54.099 ( -0.000 -0.734 -1.729) 1.878 54.376 ( 0.000 1.759 -6.589) 6.820 55.873 ( -0.000 -0.798 0.225) 0.829 55.967 ( 0.000 1.187 -2.299) 2.587 ======================= Grid point 113 (45/150) ======================= q-point: ( 0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 25.921 -0.000 6.642) 26.758 3.395 ( -7.928 0.000 -4.941) 9.341 3.755 ( -2.644 0.000 7.959) 8.386 4.031 ( 4.543 -0.000 16.060) 16.691 4.048 ( 17.260 -0.000 9.357) 19.633 5.553 ( -8.921 0.000 6.924) 11.293 5.603 ( 0.532 -0.000 0.137) 0.549 5.691 ( 3.526 -0.000 0.083) 3.527 6.362 ( -2.027 0.000 -5.084) 5.473 6.587 ( 4.523 -0.000 -9.242) 10.289 6.994 ( -3.850 0.000 0.222) 3.856 7.410 ( 5.466 -0.000 -19.225) 19.987 7.747 ( -9.117 0.000 -6.431) 11.157 8.081 ( -19.096 0.000 6.010) 20.020 8.429 ( 13.126 -0.000 7.597) 15.166 8.802 ( -7.487 0.000 1.187) 7.581 10.100 ( 13.784 -0.000 9.679) 16.842 10.863 ( 3.146 -0.000 -2.142) 3.806 11.453 ( -41.818 0.000 10.445) 43.103 14.729 ( 32.169 -0.000 -3.298) 32.338 15.896 ( 4.973 -0.000 7.030) 8.611 16.743 ( -3.236 0.000 1.819) 3.712 18.494 ( -12.613 0.000 -7.114) 14.481 18.978 ( -18.633 0.000 14.467) 23.590 19.501 ( 8.639 -0.000 -4.064) 9.547 20.649 ( 14.541 -0.000 1.091) 14.581 21.197 ( -1.570 0.000 -0.496) 1.647 21.235 ( -1.041 0.000 -1.147) 1.549 22.759 ( -2.760 0.000 -1.804) 3.297 22.822 ( 4.306 -0.000 -2.081) 4.783 27.101 ( 6.213 -0.000 0.387) 6.225 27.255 ( 0.701 -0.000 -0.271) 0.752 29.408 ( -7.275 0.000 0.745) 7.314 29.842 ( 3.320 -0.000 -1.104) 3.499 48.990 ( 8.068 -0.000 -0.343) 8.075 49.632 ( -0.615 0.000 -4.273) 4.317 53.481 ( -4.929 0.000 5.632) 7.484 53.985 ( 0.953 -0.000 -6.075) 6.149 54.425 ( -9.522 0.000 3.946) 10.308 54.722 ( -7.111 0.000 -5.611) 9.058 55.596 ( 6.208 -0.000 0.610) 6.238 55.736 ( 9.226 -0.000 -2.309) 9.510 ======================= Grid point 114 (46/150) ======================= q-point: (-0.56 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( -23.063 -1.051 4.479) 23.518 3.446 ( 4.842 18.197 4.079) 19.267 3.837 ( 11.792 -11.129 5.676) 17.179 4.046 ( 16.223 16.844 9.924) 25.404 4.535 ( 14.767 -14.325 7.615) 21.938 5.401 ( -11.259 -1.925 9.058) 14.578 5.495 ( -4.235 6.567 -0.108) 7.815 5.838 ( 6.774 -5.600 -1.118) 8.860 6.292 ( -3.836 4.700 -5.853) 8.430 6.632 ( 3.412 2.443 -10.167) 10.999 6.975 ( 1.638 0.106 0.544) 1.729 7.519 ( 3.759 -4.822 -19.311) 20.256 7.588 ( -11.144 -1.352 -6.502) 12.973 7.835 ( -14.016 -2.912 5.996) 15.520 8.550 ( -1.020 -3.505 1.293) 3.873 8.761 ( 4.834 3.571 7.419) 9.548 10.280 ( 9.842 2.643 10.310) 14.496 10.873 ( -20.538 -2.306 8.312) 22.276 10.896 ( -8.423 -0.920 4.820) 9.748 15.166 ( 24.287 3.525 -6.006) 25.266 15.946 ( 2.996 2.738 6.830) 7.945 16.721 ( -1.776 -3.190 2.191) 4.258 18.338 ( -7.893 -2.449 -4.488) 9.404 18.714 ( -16.231 -2.885 14.039) 21.653 19.615 ( 6.560 1.553 -2.742) 7.278 20.830 ( 10.229 3.030 -1.273) 10.744 21.133 ( -1.435 3.836 -0.287) 4.106 21.261 ( -0.908 -4.303 -1.091) 4.531 22.718 ( -2.024 0.263 -1.546) 2.560 22.889 ( 3.499 -0.310 -2.162) 4.125 27.167 ( 3.760 3.033 0.296) 4.840 27.283 ( 1.758 -1.527 -0.255) 2.342 29.311 ( -5.416 -1.246 1.066) 5.658 29.891 ( 2.591 -0.251 -1.440) 2.975 49.142 ( 9.460 -0.548 -0.205) 9.478 49.636 ( 1.450 0.732 -2.700) 3.151 53.419 ( -3.485 -1.167 4.432) 5.758 54.003 ( 0.827 -0.514 -4.907) 5.003 54.253 ( -10.811 -0.031 2.488) 11.094 54.595 ( -7.515 0.583 -4.967) 9.027 55.707 ( 6.515 -0.524 0.759) 6.580 55.876 ( 8.149 0.652 -2.580) 8.573 ======================= Grid point 115 (47/150) ======================= q-point: (-0.44 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -14.145 2.426 9.142) 17.016 3.176 ( -1.346 23.216 3.207) 23.475 4.093 ( 11.849 10.334 6.003) 16.829 4.205 ( 11.386 -11.853 5.899) 17.462 4.730 ( 3.256 11.876 9.972) 15.845 5.242 ( -9.355 -2.754 3.489) 10.357 5.415 ( -3.553 -6.321 2.012) 7.526 6.002 ( 6.080 -1.351 -2.247) 6.622 6.146 ( -3.976 5.415 -6.159) 9.114 6.635 ( 2.443 4.366 -7.889) 9.342 7.012 ( 3.576 2.650 -1.244) 4.622 7.456 ( -8.862 -4.504 -6.343) 11.792 7.646 ( 1.003 -7.348 -13.652) 15.536 7.707 ( -7.404 -5.195 1.962) 9.255 8.560 ( -4.233 -6.590 -0.779) 7.871 8.783 ( 5.552 8.070 10.035) 14.023 10.323 ( 3.984 7.643 9.428) 12.774 10.592 ( -17.532 -12.641 13.864) 25.678 10.946 ( 4.758 -0.742 0.997) 4.918 15.396 ( 13.099 7.908 -9.411) 17.963 15.919 ( 0.659 5.279 6.762) 8.603 16.769 ( -0.292 -6.065 2.517) 6.573 18.321 ( -0.459 -5.202 0.552) 5.251 18.540 ( -12.371 -6.117 11.661) 18.067 19.667 ( 3.529 3.007 -1.479) 4.867 20.898 ( 5.193 5.447 -2.661) 7.983 21.066 ( -0.889 3.128 0.160) 3.256 21.307 ( -0.363 -4.067 -1.109) 4.231 22.689 ( -0.999 0.316 -1.412) 1.758 22.938 ( 1.904 -0.366 -2.256) 2.975 27.146 ( 1.188 5.525 0.396) 5.665 27.335 ( 1.498 -1.455 -0.476) 2.142 29.273 ( -2.687 -2.937 1.240) 4.170 29.932 ( 1.544 -0.750 -1.656) 2.385 49.280 ( 6.071 -0.530 0.057) 6.094 49.649 ( 1.451 1.162 -1.592) 2.447 53.403 ( -1.670 -2.818 3.676) 4.923 54.022 ( 0.241 -0.811 -3.794) 3.888 54.109 ( -6.499 -0.357 1.183) 6.615 54.482 ( -4.611 1.247 -4.855) 6.811 55.803 ( 3.839 -0.880 0.758) 4.011 55.971 ( 4.747 0.914 -2.735) 5.554 ======================= Grid point 116 (48/150) ======================= q-point: (-0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 0.000 10.417 10.489) 14.783 2.824 ( 0.000 27.604 3.667) 27.847 4.140 ( 0.000 0.344 2.721) 2.743 4.344 ( 0.000 24.794 11.817) 27.466 4.509 ( -0.000 -3.769 9.830) 10.528 5.231 ( -0.000 -6.958 2.193) 7.296 5.509 ( -0.000 -9.266 -0.088) 9.267 6.023 ( 0.000 5.168 -4.624) 6.934 6.067 ( 0.000 1.850 -6.161) 6.433 6.590 ( 0.000 5.666 -3.696) 6.765 6.988 ( 0.000 4.842 -3.217) 5.813 7.422 ( 0.000 1.116 -7.439) 7.522 7.735 ( -0.000 -14.002 6.977) 15.644 7.787 ( -0.000 -9.098 -14.526) 17.140 8.618 ( -0.000 -8.112 -0.054) 8.112 8.707 ( 0.000 10.206 9.873) 14.200 10.228 ( 0.000 10.661 8.032) 13.348 10.658 ( -0.000 -18.328 12.389) 22.123 11.018 ( -0.000 -2.256 -0.111) 2.259 15.369 ( 0.000 11.942 -11.350) 16.475 15.845 ( 0.000 6.098 6.831) 9.157 16.855 ( -0.000 -6.665 2.496) 7.117 18.422 ( -0.000 -5.981 4.264) 7.346 18.522 ( -0.000 -10.532 9.141) 13.946 19.649 ( 0.000 3.925 -0.385) 3.944 20.854 ( 0.000 7.407 -2.445) 7.800 21.027 ( 0.000 1.654 0.448) 1.714 21.353 ( -0.000 -3.074 -1.342) 3.354 22.677 ( 0.000 0.313 -1.474) 1.507 22.958 ( -0.000 -0.361 -2.352) 2.380 27.071 ( 0.000 6.881 0.566) 6.904 27.361 ( -0.000 -0.669 -0.746) 1.002 29.301 ( -0.000 -4.245 1.221) 4.417 29.957 ( -0.000 -1.074 -1.737) 2.042 49.336 ( -0.000 -0.411 0.258) 0.485 49.643 ( 0.000 1.613 -1.090) 1.947 53.438 ( -0.000 -4.260 3.461) 5.488 54.026 ( -0.000 -0.486 -1.314) 1.400 54.072 ( -0.000 -1.111 -1.336) 1.738 54.424 ( 0.000 1.666 -5.265) 5.522 55.847 ( -0.000 -1.043 0.695) 1.253 55.998 ( 0.000 1.043 -2.730) 2.922 ======================= Grid point 123 (49/150) ======================= q-point: ( 0.44 -0.56 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -14.967 0.000 9.788) 17.884 3.585 ( -3.879 0.000 2.752) 4.756 3.949 ( 14.358 -0.000 6.286) 15.674 4.327 ( 1.947 -0.000 2.300) 3.014 4.770 ( 24.250 -0.000 7.506) 25.385 5.224 ( -8.398 0.000 10.459) 13.413 5.387 ( -13.489 0.000 1.403) 13.561 5.944 ( 10.368 -0.000 -1.739) 10.513 6.253 ( -6.240 0.000 -5.196) 8.120 6.695 ( 2.328 -0.000 -12.119) 12.341 7.032 ( 5.514 -0.000 2.823) 6.194 7.357 ( -13.521 0.000 -1.683) 13.625 7.534 ( 2.029 -0.000 -21.981) 22.075 7.682 ( -5.062 0.000 2.284) 5.553 8.467 ( -3.387 0.000 -1.703) 3.791 8.897 ( 5.653 -0.000 9.635) 11.171 10.403 ( -8.842 0.000 13.368) 16.028 10.444 ( -3.975 0.000 13.972) 14.526 10.936 ( 1.264 -0.000 0.878) 1.539 15.501 ( 13.791 -0.000 -8.879) 16.402 16.001 ( 1.163 -0.000 7.109) 7.204 16.673 ( -1.079 0.000 2.314) 2.554 18.248 ( -0.763 0.000 0.893) 1.175 18.460 ( -12.643 0.000 11.446) 17.055 19.709 ( 3.618 -0.000 -2.033) 4.150 20.971 ( 4.869 -0.000 -3.549) 6.025 21.155 ( -0.790 0.000 -0.399) 0.885 21.207 ( -0.343 0.000 -0.335) 0.479 22.694 ( -1.108 0.000 -1.332) 1.733 22.932 ( 2.018 -0.000 -2.171) 2.964 27.248 ( 2.532 -0.000 0.134) 2.535 27.287 ( 0.829 -0.000 -0.128) 0.839 29.233 ( -3.039 0.000 1.313) 3.310 29.921 ( 1.348 -0.000 -1.675) 2.150 49.273 ( 6.477 -0.000 0.071) 6.478 49.665 ( 1.383 -0.000 -1.696) 2.188 53.366 ( -1.957 0.000 3.527) 4.033 54.010 ( 0.425 -0.000 -3.966) 3.989 54.104 ( -6.903 0.000 1.381) 7.040 54.499 ( -4.537 0.000 -4.447) 6.353 55.790 ( 3.894 -0.000 0.798) 3.975 55.984 ( 4.530 -0.000 -2.855) 5.355 ======================= Grid point 125 (50/150) ======================= q-point: (-0.44 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -0.000 -1.497 11.251) 11.351 3.431 ( 0.000 16.405 2.873) 16.655 4.158 ( -0.000 -10.446 6.517) 12.312 4.286 ( 0.000 6.720 1.191) 6.825 5.010 ( 0.000 13.164 11.950) 17.780 5.121 ( -0.000 -0.579 3.213) 3.265 5.242 ( -0.000 -9.201 3.210) 9.745 6.080 ( -0.000 -0.001 -1.526) 1.526 6.137 ( 0.000 2.304 -5.862) 6.299 6.700 ( 0.000 2.292 -11.199) 11.431 7.106 ( 0.000 3.271 2.829) 4.325 7.244 ( -0.000 -7.502 -2.476) 7.900 7.585 ( -0.000 -5.050 -20.676) 21.284 7.635 ( 0.000 0.980 1.660) 1.928 8.461 ( -0.000 -3.278 -1.746) 3.714 8.914 ( 0.000 4.496 9.945) 10.914 10.313 ( -0.000 -6.960 15.941) 17.395 10.443 ( 0.000 4.713 11.168) 12.122 10.958 ( -0.000 -1.669 1.407) 2.183 15.588 ( 0.000 4.279 -10.706) 11.530 15.984 ( 0.000 3.503 7.317) 8.113 16.694 ( -0.000 -4.213 2.492) 4.895 18.315 ( -0.000 -2.036 4.063) 4.545 18.323 ( -0.000 -3.985 9.557) 10.355 19.728 ( 0.000 1.667 -1.591) 2.305 20.991 ( 0.000 2.695 -4.190) 4.982 21.109 ( 0.000 4.029 0.038) 4.029 21.247 ( -0.000 -4.405 -0.460) 4.429 22.684 ( 0.000 0.138 -1.279) 1.287 22.950 ( -0.000 -0.170 -2.203) 2.209 27.225 ( 0.000 4.622 0.214) 4.626 27.323 ( -0.000 -2.299 -0.257) 2.314 29.219 ( -0.000 -1.668 1.376) 2.162 29.935 ( -0.000 -0.483 -1.750) 1.816 49.329 ( -0.000 -0.122 0.205) 0.239 49.673 ( 0.000 0.597 -1.293) 1.424 53.360 ( -0.000 -1.530 3.242) 3.585 54.014 ( -0.000 -0.327 -2.656) 2.676 54.050 ( -0.000 -0.409 -0.027) 0.410 54.457 ( 0.000 0.686 -4.394) 4.448 55.825 ( -0.000 -0.473 0.786) 0.918 56.018 ( 0.000 0.415 -2.915) 2.944 ======================= Grid point 166 (51/150) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 0.000 36.201) 36.201 1.525 ( 0.000 0.000 38.565) 38.565 2.320 ( 0.000 0.000 56.797) 56.797 4.516 ( 0.000 0.000 -2.603) 2.603 5.160 ( 0.000 0.000 -11.643) 11.643 5.238 ( 0.000 0.000 7.045) 7.045 5.562 ( 0.000 0.000 -8.247) 8.247 5.918 ( 0.000 0.000 2.395) 2.395 6.034 ( 0.000 0.000 -10.765) 10.765 6.773 ( 0.000 0.000 -1.432) 1.432 6.865 ( 0.000 0.000 -7.179) 7.179 7.467 ( 0.000 0.000 -2.033) 2.033 8.208 ( 0.000 0.000 -4.999) 4.999 8.712 ( 0.000 0.000 -6.168) 6.168 8.997 ( 0.000 0.000 9.213) 9.213 9.145 ( 0.000 0.000 5.293) 5.293 9.487 ( 0.000 0.000 3.502) 3.502 9.668 ( 0.000 0.000 3.185) 3.185 12.084 ( 0.000 0.000 0.188) 0.188 13.992 ( 0.000 0.000 -20.858) 20.858 15.784 ( 0.000 0.000 13.926) 13.926 17.089 ( 0.000 0.000 0.845) 0.845 18.999 ( 0.000 0.000 4.380) 4.380 19.499 ( 0.000 0.000 12.599) 12.599 19.848 ( 0.000 0.000 -4.534) 4.534 20.369 ( 0.000 0.000 2.984) 2.984 21.205 ( 0.000 0.000 -0.237) 0.237 21.238 ( 0.000 0.000 -2.198) 2.198 22.550 ( 0.000 0.000 -2.209) 2.209 22.903 ( 0.000 0.000 -4.788) 4.788 26.670 ( 0.000 0.000 2.658) 2.658 27.300 ( 0.000 0.000 -3.366) 3.366 29.615 ( 0.000 0.000 1.591) 1.591 29.932 ( 0.000 0.000 -1.509) 1.509 49.399 ( 0.000 0.000 0.524) 0.524 49.502 ( 0.000 0.000 -0.457) 0.457 53.667 ( 0.000 0.000 -6.007) 6.007 53.905 ( 0.000 0.000 -6.526) 6.526 54.084 ( 0.000 0.000 -0.174) 0.174 54.379 ( 0.000 0.000 -0.965) 0.965 55.862 ( 0.000 0.000 -1.367) 1.367 55.915 ( 0.000 0.000 2.201) 2.201 ======================= Grid point 167 (52/150) ======================= q-point: ( 0.11 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 10.593 -9.648 33.238) 36.195 1.664 ( 13.950 -5.704 34.305) 37.469 2.613 ( 14.925 -22.168 48.661) 55.516 4.536 ( 3.595 1.731 -1.793) 4.374 5.102 ( -11.307 3.320 5.096) 12.839 5.212 ( 0.524 -5.635 -10.621) 12.034 5.555 ( -0.850 1.583 -6.228) 6.482 5.912 ( 4.732 6.169 -0.564) 7.796 6.052 ( 0.296 -1.946 -5.774) 6.101 6.640 ( -7.334 -1.893 -6.788) 10.170 7.069 ( 15.212 0.349 -3.887) 15.704 7.301 ( -4.492 19.536 3.394) 20.331 8.157 ( -11.576 1.103 1.917) 11.785 8.217 ( -14.730 3.789 2.782) 15.462 9.115 ( 10.057 12.409 5.002) 16.737 9.236 ( 10.834 6.641 4.435) 13.459 9.607 ( -4.062 -7.540 1.189) 8.646 9.926 ( 4.042 -30.113 -9.888) 31.951 12.136 ( 13.853 9.073 1.170) 16.601 13.993 ( -7.634 -9.167 -18.805) 22.269 15.796 ( 0.914 -0.695 13.956) 14.003 17.072 ( -1.932 0.061 0.932) 2.146 18.947 ( -3.339 2.820 2.799) 5.189 19.551 ( 9.599 5.119 12.790) 16.791 19.689 ( -11.804 5.239 -0.396) 12.921 20.357 ( -4.085 -2.967 3.828) 6.336 21.170 ( 0.383 3.735 -0.275) 3.764 21.274 ( 0.028 -3.301 -2.154) 3.941 22.564 ( 0.437 -1.335 -2.600) 2.955 22.894 ( -1.031 0.070 -4.740) 4.851 26.704 ( 1.983 -2.488 2.489) 4.040 27.295 ( -0.809 -0.363 -3.149) 3.272 29.609 ( 0.898 1.869 1.498) 2.558 29.917 ( -2.388 -0.545 -1.678) 2.969 49.337 ( -7.064 0.052 0.368) 7.074 49.551 ( 4.276 0.670 -4.691) 6.383 53.696 ( 1.498 -1.423 -6.226) 6.560 53.968 ( 7.499 -0.439 -7.387) 10.535 54.132 ( 5.259 -0.058 0.980) 5.349 54.302 ( -5.680 2.247 1.972) 6.419 55.819 ( -5.039 -0.265 -1.483) 5.259 55.889 ( -3.579 -0.298 1.763) 4.001 ======================= Grid point 168 (53/150) ======================= q-point: ( 0.22 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 15.262 -10.326 30.304) 35.467 2.095 ( 19.748 -14.555 24.487) 34.662 3.257 ( 20.342 -27.598 34.085) 48.345 4.564 ( 3.679 4.029 0.544) 5.483 4.821 ( -14.867 5.609 6.224) 17.065 5.310 ( 0.992 -5.068 -10.832) 12.000 5.497 ( -3.526 -0.057 -4.466) 5.690 5.910 ( 5.489 6.463 -3.027) 9.003 6.098 ( 1.797 -2.795 -0.698) 3.395 6.632 ( -0.039 -4.799 -10.886) 11.897 6.910 ( -6.818 20.799 8.112) 23.343 7.298 ( 14.422 1.828 -4.073) 15.098 7.924 ( -13.999 -3.835 2.565) 14.739 8.121 ( -4.701 -1.082 -3.554) 5.992 9.132 ( 13.404 13.115 5.862) 19.647 9.284 ( 4.357 3.455 5.442) 7.780 9.623 ( -7.368 -9.946 3.643) 12.902 10.236 ( -3.086 -14.034 -12.308) 18.920 12.282 ( 23.632 15.104 3.678) 28.286 13.977 ( -14.738 -15.306 -13.544) 25.198 15.832 ( 1.797 -1.458 13.395) 13.593 17.029 ( -3.095 0.185 1.204) 3.326 18.848 ( -0.756 6.167 -0.368) 6.224 19.409 ( -13.666 2.634 0.501) 13.927 19.669 ( 13.341 7.285 12.652) 19.777 20.314 ( -8.070 -5.370 5.495) 11.143 21.132 ( 0.696 3.197 0.189) 3.277 21.313 ( -0.019 -2.547 -2.609) 3.647 22.594 ( 0.960 -1.531 -2.920) 3.434 22.867 ( -2.016 0.307 -4.582) 5.015 26.791 ( 3.193 -3.931 2.084) 5.476 27.284 ( -1.364 -0.539 -2.596) 2.981 29.597 ( 1.791 3.087 1.229) 3.774 29.870 ( -4.225 -0.636 -1.652) 4.581 49.192 ( -10.387 -0.382 -0.150) 10.395 49.568 ( 0.360 2.849 -7.888) 8.394 53.730 ( 1.588 0.166 -4.163) 4.459 54.110 ( -5.175 3.960 4.945) 8.180 54.146 ( 12.185 -1.355 -9.188) 15.320 54.321 ( 8.408 -2.905 1.360) 8.999 55.721 ( -7.393 -0.421 -1.879) 7.639 55.807 ( -6.598 0.075 1.209) 6.709 ======================= Grid point 169 (54/150) ======================= q-point: ( 0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 13.614 -10.658 26.587) 31.714 2.623 ( 20.537 -14.707 18.970) 31.590 3.850 ( 10.317 -15.365 16.349) 24.694 4.514 ( -7.241 -0.270 10.012) 12.359 4.568 ( -0.318 5.841 5.712) 8.176 5.336 ( -0.979 0.354 -8.756) 8.818 5.481 ( -2.303 -3.056 -4.096) 5.606 5.915 ( 4.742 5.481 -3.611) 8.097 6.181 ( 1.085 -5.638 1.580) 5.955 6.584 ( -5.821 12.377 4.944) 14.544 6.727 ( 4.043 -3.306 -13.812) 14.767 7.473 ( 10.724 3.112 -7.508) 13.456 7.762 ( -8.428 0.459 -2.977) 8.950 8.079 ( -6.171 -5.525 0.104) 8.284 9.193 ( 14.703 12.634 5.729) 20.214 9.298 ( 1.368 1.005 5.847) 6.089 9.648 ( -7.521 -12.369 5.645) 15.538 10.238 ( -7.531 -1.590 -6.766) 10.247 12.479 ( 25.075 15.489 6.421) 30.165 13.918 ( -17.837 -15.719 -7.473) 24.921 15.885 ( 1.902 -1.549 12.288) 12.530 16.975 ( -2.910 0.285 1.636) 3.350 18.779 ( 3.740 7.418 -3.172) 8.893 19.187 ( -12.696 -1.481 -3.613) 13.283 19.786 ( 13.483 8.048 12.197) 19.883 20.244 ( -10.044 -6.528 7.352) 14.055 21.109 ( 0.713 2.091 0.565) 2.280 21.340 ( -0.073 -1.535 -2.986) 3.358 22.636 ( 1.781 -1.462 -3.162) 3.912 22.822 ( -2.731 0.690 -4.282) 5.125 26.896 ( 3.140 -3.673 1.585) 5.085 27.267 ( -1.475 -0.373 -1.939) 2.465 29.589 ( 2.378 3.149 0.866) 4.040 29.806 ( -4.608 -0.732 -1.350) 4.857 49.038 ( -8.781 -0.495 -0.791) 8.830 49.506 ( -2.383 2.816 -8.049) 8.854 53.747 ( 1.974 1.257 0.995) 2.543 53.977 ( -5.562 1.933 2.011) 6.223 54.367 ( 12.010 -1.041 -10.342) 15.884 54.520 ( 10.394 -2.527 1.973) 10.877 55.604 ( -7.217 -0.315 -1.752) 7.434 55.683 ( -7.755 0.515 0.755) 7.809 ======================= Grid point 170 (55/150) ======================= q-point: ( 0.44 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 5.773 -5.000 24.709) 25.863 3.091 ( 14.237 -9.295 18.295) 24.975 3.833 ( -9.879 4.546 0.448) 10.884 4.428 ( -1.001 3.609 8.869) 9.628 4.736 ( 7.803 -10.567 14.312) 19.426 5.276 ( -3.562 2.858 -5.069) 6.823 5.477 ( -0.395 -0.313 -2.987) 3.030 5.915 ( 1.862 2.477 -3.624) 4.768 6.265 ( -0.337 -5.596 2.839) 6.284 6.397 ( -1.781 6.615 1.299) 6.973 6.818 ( 2.501 -1.250 -15.788) 16.034 7.525 ( 0.152 1.465 -11.857) 11.948 7.693 ( 1.155 1.256 -5.097) 5.375 8.060 ( -3.432 -3.340 3.639) 6.014 9.244 ( 6.093 5.582 5.252) 9.791 9.309 ( 0.938 0.318 5.764) 5.849 9.709 ( -2.499 -7.874 6.995) 10.825 10.108 ( -4.783 2.759 -2.584) 6.097 12.639 ( 12.012 7.263 8.129) 16.221 13.843 ( -9.302 -7.362 -3.507) 12.370 15.924 ( 0.840 -0.674 11.436) 11.487 16.937 ( -1.217 0.155 2.018) 2.362 18.769 ( 3.742 4.043 -4.183) 6.917 19.049 ( -6.652 -1.925 -7.410) 10.142 19.876 ( 7.230 4.480 11.161) 14.032 20.177 ( -6.089 -3.922 9.052) 11.593 21.098 ( 0.304 0.721 0.759) 1.090 21.352 ( -0.041 -0.506 -3.187) 3.227 22.687 ( 2.146 -1.153 -3.569) 4.321 22.766 ( -2.522 0.894 -3.826) 4.669 26.972 ( 1.432 -1.571 1.201) 2.442 27.250 ( -0.757 -0.060 -1.470) 1.655 29.590 ( 1.425 1.492 0.559) 2.138 29.754 ( -2.326 -0.482 -1.045) 2.595 48.941 ( -3.394 -0.219 -1.220) 3.613 49.445 ( -1.318 1.108 -7.804) 7.992 53.763 ( 1.510 0.858 8.824) 8.994 53.891 ( -2.828 0.335 -4.953) 5.714 54.524 ( 5.265 -0.373 -11.393) 12.556 54.682 ( 5.210 -1.098 2.666) 5.955 55.516 ( -3.349 -0.111 -1.164) 3.547 55.572 ( -4.157 0.387 0.384) 4.193 ======================= Grid point 176 (56/150) ======================= q-point: ( 0.11 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 21.142 -0.000 27.401) 34.609 1.947 ( 23.198 -0.000 29.429) 37.473 2.797 ( 25.532 -0.000 44.719) 51.494 4.618 ( 4.010 -0.000 -1.407) 4.249 4.898 ( -15.142 0.000 4.978) 15.939 5.220 ( 4.409 -0.000 -10.473) 11.363 5.521 ( -4.265 0.000 -2.066) 4.739 5.999 ( -2.975 0.000 -3.989) 4.976 6.076 ( 7.592 -0.000 0.146) 7.593 6.532 ( -2.986 0.000 -12.631) 12.979 7.325 ( 14.248 -0.000 0.508) 14.257 7.375 ( -5.529 0.000 -3.797) 6.707 7.772 ( -23.009 0.000 15.873) 27.953 8.124 ( -5.029 0.000 -5.415) 7.390 9.301 ( -10.376 0.000 5.003) 11.519 9.322 ( 9.917 -0.000 5.873) 11.526 9.470 ( -6.448 0.000 -0.462) 6.465 10.005 ( 22.935 -0.000 -12.535) 26.137 12.522 ( 25.439 -0.000 0.045) 25.439 13.734 ( -16.661 0.000 -12.704) 20.952 15.815 ( 2.098 -0.000 13.834) 13.992 17.028 ( -3.420 0.000 0.900) 3.536 18.931 ( -0.424 0.000 -1.123) 1.201 19.461 ( -18.318 0.000 -0.284) 18.320 19.780 ( 13.711 -0.000 12.525) 18.571 20.234 ( -8.698 0.000 6.967) 11.144 21.218 ( 0.617 -0.000 -0.604) 0.863 21.235 ( -0.186 0.000 -2.050) 2.058 22.568 ( 1.292 -0.000 -2.472) 2.789 22.871 ( -1.854 0.000 -4.653) 5.009 26.736 ( 3.920 -0.000 2.307) 4.549 27.276 ( -1.263 0.000 -2.792) 3.064 29.643 ( 1.713 -0.000 1.003) 1.985 29.857 ( -4.524 0.000 -1.094) 4.655 49.184 ( -10.876 0.000 0.397) 10.884 49.621 ( 1.715 -0.000 -11.630) 11.756 53.718 ( 2.188 -0.000 -8.247) 8.533 54.133 ( 11.422 -0.000 -6.976) 13.384 54.185 ( -7.870 0.000 7.010) 10.539 54.263 ( 10.237 -0.000 2.725) 10.593 55.716 ( -6.996 0.000 -2.121) 7.310 55.806 ( -6.380 0.000 1.778) 6.623 ======================= Grid point 177 (57/150) ======================= q-point: ( 0.22 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 23.903 -1.408 22.430) 32.809 2.371 ( 27.228 -2.666 23.448) 36.032 3.349 ( 26.118 -15.345 32.344) 44.314 4.557 ( -13.189 1.637 1.026) 13.330 4.709 ( -3.185 3.115 6.558) 7.928 5.326 ( 6.092 -1.956 -9.406) 11.376 5.445 ( -2.901 1.582 -0.655) 3.369 5.960 ( -2.690 -2.614 -0.876) 3.852 6.158 ( 5.448 4.126 -2.463) 7.264 6.552 ( -0.394 -5.706 -13.330) 14.505 7.052 ( -8.975 19.007 3.759) 21.353 7.489 ( -5.490 -10.175 3.218) 12.001 7.672 ( 7.365 1.875 -1.201) 7.694 8.038 ( -5.482 -1.032 -4.749) 7.326 9.133 ( -14.310 -6.405 4.597) 16.338 9.358 ( -9.466 -3.713 1.016) 10.219 9.503 ( 14.185 3.154 8.479) 16.824 10.300 ( 13.808 3.218 -11.118) 18.017 12.886 ( 25.931 13.623 0.843) 29.304 13.503 ( -18.944 -13.866 -5.343) 24.076 15.861 ( 3.213 -0.332 13.189) 13.578 16.969 ( -3.946 -0.352 1.157) 4.127 18.937 ( 3.712 3.641 -4.533) 6.898 19.164 ( -17.224 -0.392 -2.153) 17.363 19.966 ( 10.421 5.236 11.206) 16.174 20.101 ( -7.993 -4.322 9.832) 13.387 21.183 ( 0.171 3.351 -0.642) 3.416 21.274 ( -0.137 -3.220 -2.108) 3.851 22.602 ( 2.137 -0.828 -2.841) 3.650 22.834 ( -2.475 0.255 -4.422) 5.074 26.822 ( 5.119 -1.596 1.918) 5.694 27.257 ( -1.232 -0.247 -2.166) 2.504 29.662 ( 2.025 1.986 0.451) 2.872 29.778 ( -5.649 -1.084 -0.753) 5.801 49.018 ( -9.332 -0.606 0.014) 9.352 49.590 ( -2.668 2.448 -12.001) 12.536 53.755 ( 1.953 -0.331 -7.216) 7.483 54.019 ( -8.806 1.007 9.645) 13.099 54.359 ( 13.684 0.354 -9.471) 16.646 54.455 ( 11.074 -1.933 3.439) 11.755 55.605 ( -6.302 0.210 -2.468) 6.771 55.689 ( -7.757 -0.017 1.150) 7.842 ======================= Grid point 178 (58/150) ======================= q-point: ( 0.33 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 21.706 1.953 20.341) 29.812 2.874 ( 26.831 -5.831 19.512) 33.684 3.831 ( 4.350 -5.859 10.559) 12.836 4.391 ( -1.167 -7.474 11.878) 14.083 4.584 ( -6.705 3.676 9.867) 12.483 5.375 ( 0.260 4.693 -2.776) 5.459 5.460 ( 5.326 -1.759 -6.658) 8.706 5.967 ( -2.414 -2.073 0.903) 3.308 6.168 ( 2.474 1.964 -4.102) 5.177 6.569 ( -5.624 0.606 1.545) 5.864 6.793 ( 0.747 5.604 -13.553) 14.685 7.476 ( -9.627 -9.187 -1.457) 13.387 7.726 ( 2.376 6.128 -8.136) 10.459 8.047 ( 6.952 -0.238 0.542) 6.977 8.998 ( -18.051 -12.143 5.302) 22.392 9.261 ( -11.530 -7.228 1.799) 13.727 9.705 ( 17.680 5.351 9.649) 20.840 10.378 ( 9.406 11.620 -5.671) 15.989 12.820 ( -13.763 5.907 5.464) 15.943 13.651 ( 16.131 -6.428 -2.449) 17.536 15.919 ( 3.395 0.161 12.168) 12.634 16.919 ( -3.187 -1.119 1.695) 3.779 18.850 ( -11.125 1.680 -3.850) 11.892 19.041 ( 3.731 1.174 -7.574) 8.525 19.877 ( -12.420 -2.768 11.933) 17.444 20.196 ( 12.245 3.518 9.123) 15.670 21.143 ( -0.251 2.553 -0.053) 2.566 21.308 ( -0.378 -2.644 -2.661) 3.770 22.656 ( 2.918 -1.039 -3.268) 4.503 22.786 ( -2.715 0.585 -4.023) 4.889 26.928 ( 4.971 -1.489 1.430) 5.382 27.244 ( -0.685 -0.272 -1.543) 1.710 29.633 ( -2.872 1.625 0.272) 3.311 29.736 ( -0.545 -0.856 -0.721) 1.245 48.919 ( -3.954 -1.086 -0.580) 4.141 49.506 ( -2.451 2.820 -9.851) 10.536 53.783 ( 1.046 0.481 0.443) 1.234 53.887 ( -6.257 -0.440 3.177) 7.031 54.529 ( 7.167 0.803 -10.028) 12.352 54.637 ( 6.828 -2.128 2.495) 7.575 55.524 ( -2.345 0.650 -1.662) 2.947 55.578 ( -5.032 0.009 0.407) 5.048 ======================= Grid point 179 (59/150) ======================= q-point: ( 0.44 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 13.742 8.661 19.450) 25.341 3.297 ( 15.498 4.364 20.961) 26.431 3.699 ( -8.193 -2.285 -2.239) 8.796 4.384 ( -7.621 0.313 11.410) 13.725 4.732 ( 9.169 -11.275 14.010) 20.186 5.297 ( -0.431 5.107 -2.946) 5.911 5.542 ( 5.466 3.556 -4.365) 7.847 5.899 ( -6.139 0.597 0.593) 6.197 6.221 ( 2.462 -3.786 -2.175) 5.013 6.448 ( -2.496 4.967 2.034) 5.920 6.793 ( -1.762 -1.704 -17.245) 17.418 7.473 ( -2.679 -6.433 -6.489) 9.522 7.631 ( -6.003 1.641 -8.708) 10.704 8.199 ( 13.542 5.001 1.999) 14.573 8.868 ( -20.870 -15.706 5.722) 26.739 9.179 ( -12.101 -9.328 2.439) 15.472 9.912 ( 16.889 7.101 9.590) 20.680 10.352 ( 11.394 14.975 -1.201) 18.855 12.460 ( -28.523 -5.845 10.490) 30.948 14.014 ( 25.484 5.213 -3.980) 26.315 15.955 ( 2.206 1.554 11.414) 11.729 16.904 ( -1.147 -2.118 2.229) 3.281 18.667 ( -11.510 -3.234 -4.705) 12.849 19.126 ( 9.560 3.497 -7.211) 12.475 19.713 ( -14.994 -6.320 13.056) 20.862 20.333 ( 12.637 6.293 6.604) 15.586 21.108 ( -0.849 1.419 0.438) 1.710 21.332 ( -0.396 -1.944 -2.993) 3.591 22.708 ( 0.685 0.224 -3.698) 3.767 22.747 ( 0.208 -0.304 -3.534) 3.554 27.002 ( 2.958 0.660 1.100) 3.224 27.246 ( 0.590 -0.301 -1.243) 1.408 29.559 ( -4.952 -0.845 0.719) 5.075 29.763 ( 2.815 0.192 -1.218) 3.073 48.925 ( 2.775 -1.197 -0.997) 3.182 49.458 ( 0.447 1.718 -7.902) 8.099 53.746 ( -4.246 -0.334 10.746) 11.559 53.867 ( 1.232 -1.364 -6.880) 7.121 54.546 ( -3.360 1.294 -9.239) 9.916 54.689 ( -3.204 -0.629 0.764) 3.353 55.528 ( 3.884 0.601 -0.962) 4.046 55.562 ( 3.339 -0.202 -0.069) 3.346 ======================= Grid point 180 (60/150) ======================= q-point: (-0.44 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 1.237 18.431 20.176) 27.355 3.067 ( -12.277 17.937 14.429) 26.089 3.904 ( 10.284 -7.708 7.679) 14.971 4.362 ( 1.021 -6.800 10.875) 12.866 4.758 ( -6.364 9.944 11.412) 16.420 5.325 ( 5.246 -1.679 -5.848) 8.034 5.557 ( 4.885 4.895 -3.641) 7.816 5.799 ( -7.131 -2.536 0.153) 7.570 6.314 ( -5.023 -3.425 -1.662) 6.302 6.356 ( 3.682 1.953 0.275) 4.177 6.767 ( -2.307 -0.357 -12.874) 13.084 7.467 ( -6.366 2.239 -11.666) 13.477 7.606 ( 1.417 -8.640 -4.678) 9.927 8.314 ( 12.105 9.539 1.401) 15.476 8.753 ( -20.727 -18.140 6.399) 28.277 9.120 ( -11.535 -10.613 2.811) 15.924 10.002 ( 10.190 12.741 8.650) 18.466 10.419 ( 17.896 10.454 -0.428) 20.730 12.102 ( -30.150 -12.592 12.526) 34.992 14.293 ( 22.681 12.122 -8.247) 27.007 15.945 ( 0.420 2.965 11.438) 11.824 16.938 ( 1.123 -2.666 2.365) 3.736 18.585 ( -6.485 -6.719 -2.978) 9.801 19.240 ( 9.008 2.305 -3.516) 9.941 19.569 ( -14.012 -7.650 12.464) 20.254 20.433 ( 10.768 7.267 4.084) 13.618 21.080 ( -1.270 0.054 0.783) 1.493 21.347 ( -0.218 -1.022 -3.086) 3.258 22.672 ( -1.758 1.252 -3.198) 3.858 22.800 ( 3.159 -0.905 -4.006) 5.182 26.997 ( 0.171 3.666 1.185) 3.857 27.271 ( 1.810 -0.146 -1.472) 2.338 29.508 ( -4.131 -2.769 1.233) 5.123 29.815 ( 3.767 0.061 -1.765) 4.160 49.031 ( 8.019 -0.997 -1.006) 8.143 49.473 ( 2.815 0.316 -6.258) 6.870 53.696 ( -3.837 -2.258 7.085) 8.367 53.925 ( 2.964 -1.909 -3.694) 5.107 54.407 ( -10.202 1.855 -7.843) 13.001 54.572 ( -9.418 1.219 -1.080) 9.558 55.620 ( 7.699 0.586 -1.319) 7.833 55.666 ( 7.816 -0.514 0.075) 7.833 ======================= Grid point 181 (61/150) ======================= q-point: (-0.33 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -6.269 23.019 22.367) 32.703 2.598 ( -12.667 21.103 17.367) 30.123 3.932 ( -4.503 16.463 21.164) 27.188 4.463 ( -6.156 -0.307 4.918) 7.885 4.637 ( 11.642 -6.243 10.079) 16.616 5.395 ( 3.458 1.354 -11.202) 11.801 5.579 ( 3.579 4.209 -4.711) 7.260 5.739 ( -6.670 -5.100 -0.009) 8.397 6.176 ( -8.087 1.570 -3.303) 8.876 6.481 ( 2.288 -7.627 1.703) 8.143 6.752 ( 1.925 1.356 -6.568) 6.977 7.305 ( -8.830 2.694 -8.795) 12.751 7.791 ( 5.315 -9.691 -5.473) 12.334 8.336 ( 8.365 11.345 0.948) 14.127 8.693 ( -16.735 -18.660 7.292) 26.104 9.088 ( -10.007 -10.505 3.162) 14.849 9.952 ( 6.856 14.069 7.712) 17.448 10.576 ( 16.443 10.553 -4.724) 20.102 11.848 ( -24.412 -16.326 11.351) 31.486 14.412 ( 15.328 16.138 -14.158) 26.378 15.898 ( -0.661 3.486 12.217) 12.722 17.000 ( 2.169 -2.314 2.057) 3.780 18.639 ( 0.163 -8.712 0.757) 8.746 19.332 ( -1.527 -5.199 6.849) 8.733 19.488 ( -3.597 -3.506 5.784) 7.661 20.486 ( 7.727 7.211 2.142) 10.784 21.069 ( -1.188 -1.396 0.943) 2.061 21.351 ( -0.041 0.155 -3.009) 3.013 22.633 ( -0.989 1.305 -2.964) 3.386 22.856 ( 2.444 -0.529 -4.363) 5.029 26.923 ( -1.267 5.637 1.574) 5.988 27.298 ( 1.694 0.434 -2.042) 2.688 29.500 ( -2.581 -3.983 1.602) 5.009 29.877 ( 3.523 -0.200 -2.216) 4.166 49.188 ( 9.358 -0.754 -0.599) 9.408 49.522 ( 2.503 -0.336 -4.595) 5.243 53.681 ( -2.644 -3.181 2.845) 5.020 54.009 ( 2.885 -3.359 -0.455) 4.451 54.203 ( -10.543 2.507 -7.605) 13.239 54.392 ( -9.004 2.305 -2.177) 9.546 55.738 ( 7.530 0.702 -1.683) 7.748 55.798 ( 7.018 -0.509 0.279) 7.042 ======================= Grid point 182 (62/150) ======================= q-point: (-0.22 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -6.115 21.952 26.251) 34.762 2.126 ( -8.596 23.481 23.190) 34.103 3.431 ( -8.950 34.482 34.297) 49.451 4.438 ( -3.329 -5.519 1.370) 6.589 4.948 ( 11.169 -8.034 6.959) 15.418 5.417 ( 3.523 5.294 -11.855) 13.453 5.533 ( -1.631 3.208 -7.107) 7.967 5.726 ( -4.370 -6.661 0.192) 7.969 6.064 ( -4.455 -1.101 -4.880) 6.698 6.598 ( -0.743 -7.933 1.641) 8.135 6.833 ( 5.861 -5.310 1.831) 8.118 7.120 ( -8.712 3.693 -7.261) 11.928 8.011 ( 5.056 -10.388 -3.590) 12.098 8.306 ( 6.141 10.034 0.938) 11.802 8.706 ( -11.422 -17.468 7.899) 22.316 9.074 ( -7.064 -8.360 3.836) 11.598 9.864 ( 3.898 12.304 6.123) 14.285 10.606 ( 9.003 17.868 -11.498) 23.077 11.761 ( -13.645 -17.098 7.957) 23.277 14.370 ( 7.301 17.072 -19.251) 26.746 15.842 ( -0.673 2.972 13.235) 13.581 17.057 ( 1.627 -1.423 1.582) 2.678 18.796 ( 4.177 -8.159 4.212) 10.087 19.324 ( -10.029 -10.851 13.548) 20.047 19.562 ( 5.912 -2.404 1.841) 6.643 20.490 ( 3.999 6.486 1.227) 7.718 21.081 ( -0.644 -2.680 0.824) 2.877 21.340 ( 0.011 1.445 -2.824) 3.172 22.605 ( -0.290 1.431 -3.046) 3.378 22.890 ( 1.234 -0.207 -4.597) 4.765 26.822 ( -1.250 6.036 2.038) 6.492 27.312 ( 0.923 0.752 -2.662) 2.915 29.525 ( -1.120 -4.146 1.775) 4.647 29.926 ( 2.183 -0.100 -2.491) 3.314 49.326 ( 5.808 -0.773 0.064) 5.860 49.545 ( 0.270 0.529 -2.497) 2.566 53.688 ( -1.407 -2.613 -0.785) 3.070 54.020 ( -6.257 3.078 -7.108) 9.957 54.090 ( -0.662 -3.303 -0.191) 3.375 54.266 ( -2.316 0.531 -2.181) 3.225 55.831 ( 4.737 0.537 -1.572) 5.020 55.892 ( 4.004 -0.110 0.354) 4.021 ======================= Grid point 183 (63/150) ======================= q-point: (-0.11 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 14.872 32.767) 35.984 1.740 ( 0.000 22.049 29.178) 36.572 2.879 ( 0.000 34.153 44.270) 55.913 4.471 ( -0.000 -3.617 -0.829) 3.711 5.140 ( -0.000 -5.530 4.585) 7.184 5.329 ( 0.000 10.081 -8.713) 13.325 5.520 ( -0.000 -2.866 -9.111) 9.551 5.781 ( -0.000 -7.115 -0.060) 7.115 6.053 ( -0.000 -0.990 -6.435) 6.511 6.699 ( -0.000 -6.509 0.091) 6.510 6.948 ( 0.000 5.721 -8.284) 10.068 7.065 ( -0.000 -18.793 8.520) 20.634 8.188 ( -0.000 -5.766 -3.946) 6.987 8.297 ( -0.000 -2.448 3.065) 3.922 8.800 ( -0.000 -13.194 9.052) 16.000 9.097 ( -0.000 -4.778 4.663) 6.676 9.751 ( 0.000 9.593 3.977) 10.385 10.360 ( 0.000 30.097 -14.916) 33.591 11.863 ( -0.000 -14.695 4.058) 15.245 14.214 ( 0.000 14.752 -21.154) 25.790 15.804 ( 0.000 1.790 13.853) 13.969 17.084 ( -0.000 -0.560 1.175) 1.301 18.931 ( -0.000 -5.376 5.040) 7.369 19.366 ( -0.000 -9.238 12.990) 15.940 19.689 ( -0.000 -7.417 1.854) 7.646 20.445 ( 0.000 5.193 1.671) 5.456 21.117 ( -0.000 -3.522 0.385) 3.543 21.313 ( 0.000 2.592 -2.544) 3.632 22.583 ( 0.000 1.715 -3.105) 3.547 22.902 ( -0.000 -0.075 -4.718) 4.718 26.737 ( 0.000 4.820 2.395) 5.383 27.309 ( 0.000 0.672 -3.092) 3.164 29.567 ( -0.000 -3.334 1.755) 3.768 29.943 ( 0.000 0.359 -2.366) 2.393 49.384 ( -0.000 -0.901 0.605) 1.085 49.526 ( 0.000 1.531 -0.766) 1.712 53.697 ( -0.000 -0.121 -3.492) 3.494 53.924 ( 0.000 2.511 -8.034) 8.417 54.091 ( -0.000 -0.204 -0.260) 0.330 54.298 ( -0.000 -4.195 -0.942) 4.300 55.866 ( 0.000 0.318 -1.385) 1.421 55.924 ( 0.000 0.335 0.788) 0.856 ======================= Grid point 186 (64/150) ======================= q-point: ( 0.22 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 26.806 -0.000 16.101) 31.270 2.817 ( 27.916 -0.000 15.946) 32.149 3.679 ( 25.706 -0.000 28.587) 38.445 4.309 ( -16.358 0.000 2.583) 16.560 4.647 ( -8.974 0.000 10.903) 14.121 5.420 ( 6.612 -0.000 -8.310) 10.620 5.472 ( 3.855 -0.000 0.931) 3.966 5.880 ( -2.936 0.000 1.447) 3.274 6.283 ( 4.507 -0.000 -5.909) 7.432 6.469 ( -4.820 0.000 -10.736) 11.768 7.115 ( -9.447 0.000 3.256) 9.993 7.149 ( -7.330 0.000 -4.375) 8.537 7.905 ( -8.156 0.000 -6.240) 10.269 7.972 ( 18.157 -0.000 -0.709) 18.171 8.814 ( -18.253 0.000 5.059) 18.941 9.149 ( -11.785 0.000 0.036) 11.785 9.787 ( 17.174 -0.000 10.604) 20.184 10.550 ( 11.918 -0.000 -7.603) 14.136 12.910 ( -33.422 0.000 4.034) 33.665 13.553 ( 35.619 -0.000 -1.639) 35.657 15.923 ( 4.455 -0.000 12.642) 13.404 16.900 ( -4.046 0.000 1.515) 4.320 18.868 ( -17.625 0.000 -4.037) 18.082 19.067 ( 8.377 -0.000 -7.482) 11.232 19.831 ( -15.599 0.000 13.132) 20.390 20.253 ( 14.687 -0.000 8.470) 16.954 21.221 ( -0.793 0.000 -1.463) 1.664 21.229 ( -0.207 0.000 -1.483) 1.498 22.641 ( 3.248 -0.000 -3.059) 4.462 22.794 ( -2.699 0.000 -4.085) 4.896 26.906 ( 6.303 -0.000 1.560) 6.494 27.240 ( -0.621 0.000 -1.543) 1.664 29.661 ( -7.169 0.000 0.045) 7.169 29.719 ( 2.839 -0.000 -0.449) 2.874 48.902 ( -4.056 0.000 -0.124) 4.058 49.551 ( -3.421 0.000 -11.424) 11.926 53.787 ( 2.248 -0.000 -7.921) 8.234 53.880 ( -8.716 0.000 11.498) 14.428 54.556 ( 8.889 -0.000 -10.734) 13.937 54.591 ( 6.479 -0.000 4.100) 7.667 55.538 ( -1.745 0.000 -2.406) 2.972 55.575 ( -5.522 0.000 0.727) 5.570 ======================= Grid point 187 (65/150) ======================= q-point: ( 0.33 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 23.786 5.475 12.525) 27.434 3.255 ( 23.480 -4.466 10.660) 26.170 3.865 ( -3.325 13.228 11.046) 17.552 4.280 ( 5.817 -15.246 14.845) 22.060 4.457 ( -9.658 -0.840 15.323) 18.132 5.459 ( 2.088 6.019 -2.340) 6.787 5.578 ( 8.432 -1.271 -3.910) 9.381 5.868 ( -3.531 -2.637 5.551) 7.088 6.251 ( -0.800 5.992 -8.972) 10.819 6.438 ( -5.051 -5.959 -4.494) 9.012 6.889 ( -1.290 9.771 -10.551) 14.438 7.205 ( -4.552 -12.290 -4.192) 13.760 7.740 ( -7.739 3.836 -7.347) 11.339 8.262 ( 16.399 -0.059 -0.406) 16.404 8.552 ( -19.963 -6.599 5.707) 21.787 8.986 ( -11.656 -3.891 0.115) 12.289 10.051 ( 17.613 2.847 12.196) 21.612 10.669 ( 9.328 6.984 -2.812) 11.987 12.349 ( -36.309 -2.248 11.836) 38.256 14.107 ( 33.023 1.794 -4.036) 33.317 15.993 ( 4.640 0.999 11.942) 12.850 16.849 ( -3.157 -1.457 2.170) 4.098 18.609 ( -14.732 -1.118 -4.819) 15.540 19.207 ( 10.188 2.037 -7.828) 13.009 19.584 ( -16.869 -2.876 14.962) 22.731 20.461 ( 13.135 2.730 5.063) 14.340 21.169 ( -1.085 3.003 -0.748) 3.280 21.259 ( -0.806 -3.326 -2.173) 4.054 22.702 ( 3.787 -0.318 -3.409) 5.105 22.750 ( -2.477 0.209 -3.578) 4.357 27.010 ( 6.066 0.068 1.119) 6.168 27.238 ( 0.291 -0.206 -1.004) 1.066 29.545 ( -7.060 -0.245 0.771) 7.106 29.766 ( 2.927 0.050 -1.280) 3.195 48.896 ( 2.707 -0.711 -0.443) 2.833 49.505 ( -0.767 1.248 -9.023) 9.141 53.745 ( -7.241 0.135 10.636) 12.867 53.832 ( 1.965 -0.983 -6.894) 7.236 54.592 ( -2.262 2.128 -4.670) 5.608 54.651 ( -1.811 -2.017 -2.947) 4.004 55.538 ( 1.885 0.119 0.302) 1.913 55.564 ( 4.810 0.215 -1.888) 5.172 ======================= Grid point 188 (66/150) ======================= q-point: ( 0.44 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 11.285 12.559 9.921) 19.583 3.494 ( -13.765 7.093 5.124) 16.311 3.728 ( 24.476 3.396 17.188) 30.101 4.227 ( -8.058 -2.867 14.359) 16.714 4.715 ( 8.289 -12.501 10.552) 18.339 5.389 ( 1.249 7.188 -1.648) 7.480 5.713 ( 8.271 3.288 -3.640) 9.617 5.771 ( -8.911 -0.182 7.660) 11.752 6.197 ( -3.005 -1.335 -6.607) 7.380 6.420 ( -2.362 -0.928 -5.612) 6.159 6.799 ( 1.102 4.516 -13.184) 13.979 7.329 ( 0.459 -11.378 -6.833) 13.280 7.567 ( -7.363 3.607 -8.405) 11.742 8.342 ( -20.405 -11.166 6.406) 24.126 8.491 ( 13.592 2.429 -0.464) 13.815 8.872 ( -10.606 -5.849 0.626) 12.128 10.258 ( 14.358 6.284 12.496) 20.045 10.705 ( 10.444 9.531 1.097) 14.182 11.835 ( -34.295 -7.172 17.174) 39.020 14.540 ( 26.706 6.364 -8.080) 28.618 16.031 ( 3.165 3.151 11.425) 12.267 16.847 ( -1.195 -3.616 2.836) 4.748 18.444 ( -9.075 -3.719 -3.053) 10.272 19.286 ( -3.609 0.570 5.324) 6.457 19.418 ( -3.343 -3.145 4.006) 6.092 20.601 ( 10.507 4.908 1.566) 11.702 21.112 ( -1.499 2.273 -0.056) 2.723 21.289 ( -0.638 -3.129 -2.509) 4.062 22.700 ( -1.966 0.796 -3.101) 3.756 22.777 ( 3.708 -0.723 -3.703) 5.290 27.078 ( 3.801 2.319 0.880) 4.539 27.259 ( 1.644 -0.651 -0.875) 1.973 29.450 ( -5.902 -1.540 1.450) 6.270 29.813 ( 2.980 -0.120 -1.995) 3.588 48.999 ( 8.016 -1.118 -0.580) 8.114 49.502 ( 2.405 1.312 -6.551) 7.100 53.645 ( -6.020 -1.419 8.813) 10.767 53.881 ( 2.277 -1.275 -5.583) 6.163 54.458 ( -9.939 1.866 -2.670) 10.459 54.583 ( -7.759 -0.341 -5.325) 9.417 55.618 ( 6.806 -0.522 0.397) 6.838 55.672 ( 8.486 0.701 -2.254) 8.809 ======================= Grid point 189 (67/150) ======================= q-point: (-0.44 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( -1.662 19.728 10.512) 22.416 3.110 ( -11.207 16.888 14.366) 24.843 4.026 ( 11.726 0.723 14.641) 18.772 4.320 ( 8.495 -10.207 9.363) 16.249 4.803 ( -2.257 8.189 10.470) 13.482 5.351 ( -0.724 -1.476 -4.545) 4.833 5.645 ( -5.460 -0.806 6.869) 8.812 5.759 ( 6.294 7.481 -6.252) 11.604 6.126 ( -10.376 -3.786 -5.370) 12.281 6.432 ( 3.599 0.302 -4.128) 5.486 6.787 ( 2.768 2.634 -10.792) 11.449 7.403 ( -6.522 3.378 -10.260) 12.618 7.512 ( 2.704 -10.910 -6.011) 12.747 8.203 ( -17.837 -15.363 6.853) 24.519 8.626 ( 10.207 6.847 0.286) 12.294 8.801 ( -9.513 -8.369 1.005) 12.710 10.312 ( 7.628 11.980 11.547) 18.304 10.794 ( 13.179 6.318 1.931) 14.742 11.465 ( -26.626 -12.010 18.999) 34.845 14.782 ( 17.545 11.249 -13.707) 24.944 16.011 ( 1.120 4.830 11.436) 12.464 16.901 ( 0.620 -4.896 3.098) 5.827 18.429 ( -1.239 -6.624 1.026) 6.817 19.143 ( -14.951 -6.993 15.252) 22.473 19.492 ( 7.063 1.853 -3.436) 8.070 20.670 ( 7.162 6.149 -1.268) 9.524 21.065 ( -1.430 1.140 0.610) 1.928 21.320 ( -0.228 -2.419 -2.601) 3.559 22.662 ( -1.329 0.865 -2.691) 3.123 22.841 ( 2.988 -0.527 -4.043) 5.055 27.068 ( 1.201 4.994 1.037) 5.240 27.300 ( 2.118 -0.415 -1.253) 2.496 29.402 ( -3.893 -3.176 1.949) 5.389 29.864 ( 2.678 -0.596 -2.529) 3.732 49.160 ( 9.367 -1.125 -0.339) 9.440 49.538 ( 3.641 1.134 -4.299) 5.746 53.592 ( -4.252 -3.093 6.159) 8.098 53.938 ( 1.943 -2.023 -4.008) 4.892 54.261 ( -10.648 1.667 -2.474) 11.058 54.441 ( -8.184 1.382 -5.865) 10.163 55.740 ( 6.761 -0.609 0.108) 6.789 55.797 ( 7.681 0.613 -2.348) 8.055 ======================= Grid point 190 (68/150) ======================= q-point: (-0.33 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -3.369 26.313 14.863) 30.408 2.721 ( -6.942 19.080 17.599) 26.869 4.138 ( 7.392 6.676 15.448) 18.380 4.417 ( -7.239 14.352 11.920) 20.012 4.714 ( 8.493 -7.308 9.692) 14.815 5.365 ( -4.070 -6.043 -6.538) 9.790 5.612 ( -1.002 -1.390 2.381) 2.934 5.746 ( 4.174 8.043 -7.609) 11.832 6.000 ( -8.890 -2.684 -6.697) 11.450 6.486 ( 2.457 -0.063 -1.022) 2.662 6.807 ( 2.808 1.270 -6.279) 6.995 7.252 ( -4.880 5.094 -9.637) 11.943 7.710 ( 2.636 -11.844 -6.237) 13.643 8.196 ( -10.446 -18.542 8.041) 22.750 8.625 ( 5.278 11.548 1.300) 12.763 8.805 ( -6.142 -11.099 1.257) 12.748 10.223 ( 3.547 14.018 10.415) 17.820 10.907 ( 9.302 6.269 -1.757) 11.354 11.314 ( -14.530 -15.662 17.230) 27.446 14.811 ( 8.052 15.162 -18.890) 25.525 15.951 ( 0.024 5.131 11.988) 13.040 16.980 ( 0.989 -4.523 2.782) 5.401 18.565 ( 4.772 -8.371 5.335) 11.013 19.031 ( -12.464 -10.452 15.056) 22.165 19.564 ( 4.599 1.772 -1.163) 5.064 20.671 ( 3.651 6.694 -2.536) 8.035 21.040 ( -0.832 -0.254 1.081) 1.388 21.343 ( -0.011 -1.258 -2.671) 2.952 22.635 ( -0.537 0.882 -2.595) 2.793 22.883 ( 1.559 -0.283 -4.317) 4.598 26.997 ( -0.055 6.701 1.398) 6.845 27.328 ( 1.185 0.331 -1.830) 2.205 29.408 ( -1.717 -4.405 2.159) 5.198 29.911 ( 1.715 -0.921 -2.845) 3.447 49.302 ( 5.871 -0.896 0.217) 5.943 49.573 ( 2.395 1.367 -2.414) 3.665 53.588 ( -2.236 -4.210 3.372) 5.840 53.994 ( 0.804 -2.923 -2.453) 3.900 54.098 ( -6.166 1.867 -3.418) 7.293 54.307 ( -4.771 2.100 -5.802) 7.800 55.836 ( 4.050 -0.366 -0.278) 4.076 55.891 ( 4.460 0.295 -2.088) 4.934 ======================= Grid point 191 (69/150) ======================= q-point: (-0.22 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 0.000 26.646 18.957) 32.702 2.381 ( 0.000 23.575 21.056) 31.609 3.848 ( 0.000 36.359 30.040) 47.163 4.326 ( -0.000 -6.594 3.017) 7.252 4.931 ( -0.000 -9.599 7.654) 12.278 5.408 ( -0.000 -6.120 -6.711) 9.082 5.635 ( -0.000 -2.876 -0.319) 2.893 5.642 ( 0.000 11.857 -9.481) 15.182 5.971 ( -0.000 -4.369 -5.978) 7.404 6.519 ( -0.000 -2.973 2.452) 3.854 6.839 ( -0.000 -1.988 -1.855) 2.719 7.126 ( 0.000 6.876 -9.567) 11.781 7.895 ( -0.000 -12.242 -5.282) 13.333 8.361 ( -0.000 -18.919 8.980) 20.942 8.511 ( 0.000 11.737 1.168) 11.795 8.892 ( -0.000 -10.029 2.496) 10.335 10.068 ( 0.000 13.654 8.559) 16.115 10.877 ( 0.000 10.970 -7.570) 13.329 11.417 ( -0.000 -17.495 13.026) 21.812 14.658 ( 0.000 17.148 -21.114) 27.200 15.886 ( 0.000 4.372 12.709) 13.440 17.041 ( -0.000 -3.078 2.164) 3.762 18.735 ( -0.000 -8.393 6.900) 10.865 19.067 ( -0.000 -12.347 14.109) 18.748 19.591 ( -0.000 -0.211 1.095) 1.115 20.611 ( 0.000 6.860 -1.680) 7.063 21.046 ( -0.000 -1.649 1.156) 2.014 21.351 ( 0.000 0.103 -2.788) 2.790 22.619 ( 0.000 1.036 -2.821) 3.005 22.899 ( -0.000 -0.155 -4.505) 4.508 26.902 ( 0.000 7.094 1.782) 7.315 27.330 ( 0.000 0.739 -2.361) 2.474 29.456 ( -0.000 -4.712 2.083) 5.152 29.938 ( -0.000 -0.758 -2.881) 2.979 49.361 ( -0.000 -0.791 0.650) 1.024 49.572 ( 0.000 1.759 -1.390) 2.242 53.627 ( -0.000 -4.208 1.122) 4.355 54.014 ( 0.000 2.861 -3.791) 4.750 54.041 ( -0.000 -2.955 -2.912) 4.149 54.250 ( 0.000 0.721 -4.669) 4.724 55.873 ( 0.000 0.009 -0.768) 0.768 55.926 ( 0.000 0.034 -1.295) 1.296 ======================= Grid point 196 (70/150) ======================= q-point: ( 0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( -3.793 0.000 1.020) 3.928 3.432 ( 24.425 -0.000 10.131) 26.443 3.993 ( -5.262 0.000 15.811) 16.664 4.288 ( 10.595 -0.000 14.440) 17.910 4.336 ( 3.778 -0.000 14.904) 15.376 5.596 ( 5.221 -0.000 -1.856) 5.541 5.611 ( 0.853 -0.000 0.763) 1.144 5.804 ( -4.693 0.000 9.840) 10.902 6.226 ( -5.572 0.000 -8.689) 10.322 6.367 ( 1.714 -0.000 -12.783) 12.897 7.000 ( -0.899 0.000 0.701) 1.140 7.033 ( 1.245 -0.000 -18.431) 18.473 7.623 ( -9.038 0.000 -6.353) 11.048 8.199 ( -18.518 0.000 6.258) 19.547 8.483 ( 8.792 -0.000 -2.356) 9.102 8.822 ( -4.071 0.000 -0.053) 4.071 10.339 ( 15.601 -0.000 14.355) 21.201 10.843 ( 6.836 -0.000 0.847) 6.888 11.738 ( -35.846 0.000 18.917) 40.531 14.625 ( 28.202 -0.000 -7.852) 29.274 16.080 ( 4.774 -0.000 11.738) 12.672 16.789 ( -2.652 0.000 2.814) 3.866 18.394 ( -10.099 0.000 -3.014) 10.539 19.280 ( -17.871 0.000 16.718) 24.471 19.391 ( 10.306 -0.000 -7.310) 12.635 20.669 ( 10.247 -0.000 0.650) 10.267 21.184 ( -1.383 0.000 -0.852) 1.624 21.205 ( -0.944 0.000 -1.914) 2.134 22.711 ( -2.247 0.000 -3.028) 3.771 22.767 ( 4.147 -0.000 -3.582) 5.480 27.111 ( 5.891 -0.000 0.729) 5.936 27.247 ( 0.988 -0.000 -0.548) 1.130 29.429 ( -6.634 0.000 1.515) 6.804 29.811 ( 2.650 -0.000 -2.072) 3.364 48.983 ( 8.195 -0.000 -0.352) 8.202 49.522 ( 1.940 -0.000 -6.898) 7.166 53.626 ( -6.933 0.000 9.078) 11.423 53.863 ( 2.330 -0.000 -5.940) 6.381 54.490 ( -11.242 0.000 2.347) 11.485 54.571 ( -5.758 0.000 -9.840) 11.401 55.609 ( 6.481 -0.000 0.715) 6.521 55.683 ( 8.548 -0.000 -2.880) 9.020 ======================= Grid point 197 (71/150) ======================= q-point: (-0.56 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( -12.116 0.100 7.519) 14.260 3.603 ( 2.879 17.621 11.929) 21.473 4.005 ( 7.890 -12.511 11.296) 18.612 4.257 ( 8.813 13.329 11.381) 19.618 4.696 ( 12.098 -12.015 7.777) 18.740 5.496 ( -3.116 8.807 0.535) 9.358 5.628 ( -8.091 -0.380 13.341) 15.607 5.816 ( 5.412 -5.132 -0.810) 7.502 6.135 ( -4.050 4.479 -10.138) 11.800 6.410 ( 2.332 -1.275 -12.026) 12.316 6.918 ( 3.175 7.261 -9.781) 12.588 7.188 ( 1.308 -12.105 -10.227) 15.900 7.472 ( -8.349 0.877 -5.539) 10.058 7.949 ( -15.533 -3.742 6.084) 17.096 8.528 ( -4.636 -4.975 -2.948) 7.412 8.852 ( 7.506 3.517 0.024) 8.289 10.533 ( 10.957 4.253 15.154) 19.178 10.918 ( 6.027 2.754 3.929) 7.703 11.242 ( -28.221 -4.470 23.716) 37.133 14.986 ( 19.282 3.930 -12.961) 23.563 16.127 ( 3.068 3.054 11.592) 12.374 16.778 ( -1.291 -3.346 3.453) 4.979 18.307 ( -2.305 -2.406 1.187) 3.537 19.012 ( -17.200 -2.601 16.762) 24.157 19.536 ( 8.160 1.020 -5.553) 9.923 20.787 ( 6.360 2.371 -3.406) 7.594 21.126 ( -1.163 3.268 -0.371) 3.489 21.234 ( -0.422 -3.763 -1.679) 4.142 22.678 ( -1.594 0.321 -2.511) 2.991 22.830 ( 3.399 -0.225 -3.786) 5.093 27.175 ( 3.612 2.802 0.547) 4.604 27.276 ( 1.811 -1.190 -0.484) 2.220 29.342 ( -4.911 -1.191 2.138) 5.487 29.851 ( 2.086 -0.292 -2.697) 3.422 49.138 ( 9.874 -0.466 -0.106) 9.885 49.564 ( 3.477 0.601 -4.633) 5.824 53.533 ( -5.256 -1.172 7.128) 8.933 53.902 ( 1.773 -0.682 -5.219) 5.554 54.289 ( -11.885 0.530 0.957) 11.936 54.465 ( -6.624 0.466 -8.092) 10.468 55.723 ( 6.573 -0.454 0.721) 6.628 55.814 ( 7.573 0.425 -3.508) 8.357 ======================= Grid point 198 (72/150) ======================= q-point: (-0.44 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( -8.500 3.071 14.955) 17.474 3.310 ( -2.700 22.244 11.269) 25.081 4.219 ( 4.232 5.092 6.668) 9.397 4.367 ( 11.639 -9.916 10.133) 18.343 4.933 ( 8.529 4.678 8.716) 13.061 5.276 ( -9.530 5.101 1.109) 10.866 5.547 ( -4.317 -3.235 11.407) 12.618 5.936 ( 3.436 0.191 -4.710) 5.833 5.982 ( -3.779 6.483 -10.432) 12.851 6.475 ( 2.673 -1.656 -7.951) 8.550 6.902 ( 4.118 5.481 -11.446) 13.342 7.308 ( -5.692 -3.900 -9.346) 11.617 7.413 ( 1.061 -8.503 -4.438) 9.650 7.813 ( -10.044 -8.016 6.307) 14.315 8.534 ( -4.674 -8.286 -1.960) 9.713 8.891 ( 5.459 7.527 -0.009) 9.298 10.558 ( 4.424 10.298 14.228) 18.112 10.957 ( -9.076 -6.249 19.449) 22.354 11.011 ( -0.716 -2.109 10.270) 10.508 15.132 ( 9.160 8.602 -17.979) 21.935 16.099 ( 0.952 5.536 11.588) 12.878 16.832 ( -0.019 -5.950 3.806) 7.063 18.384 ( 5.298 -4.942 5.841) 9.307 18.807 ( -14.596 -5.987 15.971) 22.449 19.620 ( 4.567 1.953 -3.559) 6.111 20.818 ( 2.884 3.942 -5.798) 7.581 21.072 ( -0.642 2.607 0.426) 2.718 21.279 ( 0.007 -3.366 -1.773) 3.804 22.653 ( -0.770 0.475 -2.219) 2.396 22.877 ( 1.855 -0.209 -3.993) 4.408 27.157 ( 1.171 5.173 0.754) 5.358 27.321 ( 1.451 -0.948 -0.890) 1.948 29.309 ( -2.423 -2.796 2.487) 4.458 29.886 ( 1.265 -0.814 -3.061) 3.411 49.283 ( 6.536 -0.502 0.308) 6.563 49.606 ( 2.642 0.959 -2.841) 3.996 53.493 ( -2.817 -2.684 5.184) 6.481 53.936 ( 0.717 -1.432 -4.945) 5.198 54.125 ( -7.008 0.411 0.398) 7.032 54.360 ( -4.249 1.630 -7.184) 8.504 55.817 ( 3.851 -0.777 0.601) 3.974 55.906 ( 4.368 0.568 -3.737) 5.776 ======================= Grid point 199 (73/150) ======================= q-point: (-0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 0.000 10.082 17.867) 20.515 2.967 ( 0.000 25.601 11.657) 28.130 4.216 ( 0.000 0.310 5.162) 5.171 4.594 ( -0.000 -1.948 12.302) 12.455 4.767 ( 0.000 18.141 16.393) 24.451 5.223 ( -0.000 -6.874 -4.047) 7.977 5.569 ( -0.000 -4.046 7.011) 8.095 5.901 ( 0.000 0.636 -10.677) 10.696 5.904 ( 0.000 7.586 -7.468) 10.645 6.511 ( -0.000 -0.087 -4.283) 4.284 6.872 ( 0.000 4.364 -8.805) 9.827 7.262 ( 0.000 1.945 -9.242) 9.444 7.573 ( -0.000 -11.706 -6.084) 13.193 7.879 ( -0.000 -15.137 8.015) 17.127 8.614 ( -0.000 -10.043 -0.488) 10.055 8.817 ( 0.000 10.349 0.565) 10.365 10.432 ( 0.000 13.132 12.691) 18.262 10.996 ( -0.000 -13.439 22.459) 26.173 11.035 ( 0.000 2.108 2.109) 2.982 15.062 ( 0.000 12.633 -20.337) 23.941 16.027 ( 0.000 5.996 11.749) 13.191 16.916 ( -0.000 -6.101 3.506) 7.037 18.536 ( -0.000 -6.083 7.508) 9.663 18.762 ( -0.000 -9.894 15.450) 18.346 19.629 ( 0.000 2.238 -1.937) 2.960 20.780 ( 0.000 5.366 -5.500) 7.684 21.040 ( 0.000 1.302 0.947) 1.610 21.318 ( -0.000 -2.459 -2.152) 3.268 22.640 ( 0.000 0.603 -2.264) 2.343 22.894 ( -0.000 -0.173 -4.182) 4.185 27.087 ( 0.000 6.505 1.090) 6.595 27.340 ( -0.000 -0.120 -1.401) 1.406 29.336 ( -0.000 -4.034 2.479) 4.735 29.910 ( -0.000 -1.130 -3.121) 3.319 49.344 ( -0.000 -0.468 0.594) 0.756 49.613 ( 0.000 1.319 -1.993) 2.390 53.514 ( -0.000 -3.859 3.847) 5.449 53.965 ( -0.000 -2.212 -4.598) 5.103 54.063 ( 0.000 0.705 -0.167) 0.724 54.298 ( 0.000 2.233 -6.914) 7.266 55.860 ( -0.000 -0.834 0.435) 0.940 55.935 ( 0.000 0.538 -3.461) 3.503 ======================= Grid point 206 (74/150) ======================= q-point: ( 0.44 -0.56 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( -8.934 0.000 16.566) 18.821 3.703 ( -6.008 0.000 10.007) 11.672 4.093 ( 14.912 -0.000 7.891) 16.871 4.396 ( -1.962 0.000 4.778) 5.165 4.885 ( 17.309 -0.000 3.002) 17.568 5.458 ( -8.535 0.000 6.192) 10.545 5.488 ( -7.660 0.000 16.120) 17.848 5.890 ( 8.697 -0.000 -4.293) 9.699 6.123 ( -3.951 0.000 -7.344) 8.340 6.438 ( 1.952 -0.000 -13.702) 13.841 7.075 ( 4.626 -0.000 1.435) 4.844 7.076 ( 0.850 -0.000 -24.115) 24.130 7.332 ( -8.548 0.000 -0.135) 8.549 7.739 ( -8.045 0.000 3.626) 8.824 8.415 ( -3.985 0.000 -3.769) 5.486 8.995 ( 5.615 -0.000 -0.971) 5.699 10.705 ( 5.913 -0.000 17.190) 18.179 10.850 ( -15.559 0.000 27.532) 31.625 10.996 ( 2.529 -0.000 5.929) 6.445 15.248 ( 9.713 -0.000 -17.488) 20.004 16.190 ( 1.659 -0.000 11.982) 12.097 16.734 ( -0.830 0.000 3.813) 3.902 18.317 ( 5.458 -0.000 6.138) 8.214 18.727 ( -15.366 0.000 16.153) 22.294 19.648 ( 4.616 -0.000 -4.414) 6.387 20.870 ( 2.341 -0.000 -7.081) 7.458 21.146 ( -0.752 0.000 -0.585) 0.953 21.197 ( 0.424 -0.000 -0.695) 0.814 22.660 ( -0.856 0.000 -2.096) 2.265 22.874 ( 1.975 -0.000 -3.842) 4.320 27.252 ( 2.416 -0.000 0.227) 2.427 27.284 ( 0.862 -0.000 -0.215) 0.889 29.270 ( -2.750 0.000 2.610) 3.791 29.874 ( 1.076 -0.000 -3.147) 3.326 49.277 ( 6.836 -0.000 0.321) 6.844 49.619 ( 2.574 -0.000 -3.033) 3.978 53.456 ( -3.043 0.000 5.632) 6.402 53.917 ( 0.649 -0.000 -5.515) 5.553 54.129 ( -7.409 0.000 1.243) 7.512 54.383 ( -3.879 0.000 -7.252) 8.224 55.806 ( 3.853 -0.000 0.687) 3.914 55.914 ( 4.240 -0.000 -4.098) 5.897 ======================= Grid point 208 (75/150) ======================= q-point: (-0.44 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -0.000 -0.388 19.463) 19.467 3.540 ( 0.000 15.494 8.831) 17.834 4.318 ( -0.000 -10.064 9.262) 13.677 4.323 ( 0.000 4.647 2.602) 5.326 5.080 ( -0.000 -3.305 -5.046) 6.032 5.278 ( 0.000 11.706 14.461) 18.605 5.445 ( -0.000 -3.532 14.898) 15.311 5.976 ( 0.000 2.977 -10.649) 11.057 6.039 ( 0.000 2.640 -2.693) 3.771 6.470 ( -0.000 -2.062 -11.575) 11.758 7.029 ( 0.000 6.226 -17.146) 18.241 7.177 ( -0.000 -5.426 -4.474) 7.033 7.302 ( -0.000 -8.051 -0.451) 8.063 7.680 ( -0.000 -1.276 3.011) 3.270 8.411 ( -0.000 -4.437 -3.407) 5.594 9.014 ( 0.000 4.013 -0.930) 4.119 10.715 ( 0.000 7.037 16.131) 17.599 10.744 ( -0.000 -5.066 28.386) 28.834 11.030 ( -0.000 -1.558 6.551) 6.734 15.295 ( 0.000 4.604 -19.580) 20.114 16.174 ( 0.000 4.042 11.979) 12.642 16.759 ( -0.000 -4.429 4.038) 5.994 18.427 ( -0.000 -2.082 7.537) 7.820 18.576 ( -0.000 -3.730 16.342) 16.763 19.678 ( 0.000 1.128 -3.637) 3.808 20.875 ( 0.000 1.774 -7.945) 8.141 21.108 ( 0.000 3.325 -0.065) 3.325 21.233 ( -0.000 -3.502 -0.988) 3.638 22.651 ( 0.000 0.220 -1.986) 1.999 22.890 ( -0.000 -0.077 -3.914) 3.915 27.231 ( 0.000 4.247 0.401) 4.266 27.315 ( -0.000 -1.842 -0.470) 1.901 29.259 ( -0.000 -1.586 2.737) 3.163 29.887 ( -0.000 -0.518 -3.275) 3.316 49.336 ( -0.000 -0.150 0.527) 0.548 49.638 ( 0.000 0.487 -2.356) 2.406 53.441 ( -0.000 -1.469 4.882) 5.098 53.926 ( -0.000 -0.745 -5.891) 5.938 54.069 ( 0.000 0.014 1.449) 1.449 54.344 ( 0.000 1.000 -6.880) 6.953 55.841 ( -0.000 -0.459 0.639) 0.787 55.947 ( 0.000 0.283 -4.188) 4.198 ======================= Grid point 249 (76/150) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 0.000 0.000 35.096) 35.096 2.241 ( 0.000 0.000 36.248) 36.248 3.341 ( 0.000 0.000 49.370) 49.370 4.432 ( 0.000 0.000 -6.776) 6.776 4.888 ( 0.000 0.000 -16.592) 16.592 5.357 ( 0.000 0.000 4.601) 4.601 5.398 ( 0.000 0.000 -8.278) 8.278 5.807 ( 0.000 0.000 -12.449) 12.449 5.979 ( 0.000 0.000 4.189) 4.189 6.718 ( 0.000 0.000 -8.162) 8.162 6.759 ( 0.000 0.000 0.216) 0.216 7.409 ( 0.000 0.000 -4.333) 4.333 8.112 ( 0.000 0.000 -4.409) 4.409 8.576 ( 0.000 0.000 -7.845) 7.845 9.170 ( 0.000 0.000 8.415) 8.415 9.251 ( 0.000 0.000 5.504) 5.504 9.563 ( 0.000 0.000 4.340) 4.340 9.725 ( 0.000 0.000 2.581) 2.581 12.109 ( 0.000 0.000 2.846) 2.846 13.555 ( 0.000 0.000 -23.988) 23.988 16.086 ( 0.000 0.000 17.028) 17.028 17.092 ( 0.000 0.000 -0.765) 0.765 19.098 ( 0.000 0.000 5.830) 5.830 19.746 ( 0.000 0.000 -6.062) 6.062 19.756 ( 0.000 0.000 13.691) 13.691 20.420 ( 0.000 0.000 1.952) 1.952 21.194 ( 0.000 0.000 -2.173) 2.173 21.199 ( 0.000 0.000 -0.483) 0.483 22.509 ( 0.000 0.000 -1.851) 1.851 22.797 ( 0.000 0.000 -6.048) 6.048 26.732 ( 0.000 0.000 3.831) 3.831 27.223 ( 0.000 0.000 -4.603) 4.603 29.651 ( 0.000 0.000 2.189) 2.189 29.897 ( 0.000 0.000 -2.099) 2.099 49.411 ( 0.000 0.000 0.728) 0.728 49.492 ( 0.000 0.000 -0.654) 0.654 53.555 ( 0.000 0.000 -5.264) 5.264 53.773 ( 0.000 0.000 -7.059) 7.059 54.087 ( 0.000 0.000 0.446) 0.446 54.338 ( 0.000 0.000 -3.190) 3.190 55.847 ( 0.000 0.000 -0.027) 0.027 55.948 ( 0.000 0.000 1.129) 1.129 ======================= Grid point 250 (77/150) ======================= q-point: ( 0.11 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 7.723 -8.511 32.788) 34.744 2.333 ( 9.234 -2.625 34.749) 36.051 3.517 ( 8.947 -13.863 44.617) 47.570 4.467 ( 3.915 -0.000 -6.217) 7.347 4.940 ( 2.480 -4.410 -16.117) 16.893 5.175 ( -13.224 2.163 0.121) 13.400 5.469 ( 3.543 2.269 -1.989) 4.653 5.805 ( 2.627 2.939 -10.005) 10.754 6.018 ( 3.770 -0.364 2.340) 4.452 6.537 ( -10.982 -2.157 -4.182) 11.947 6.973 ( 15.566 2.245 -5.511) 16.665 7.303 ( -4.343 11.016 -2.371) 12.076 8.085 ( -3.131 -0.354 -4.686) 5.647 8.283 ( -17.835 7.761 0.336) 19.454 9.222 ( 9.182 9.878 5.930) 14.732 9.324 ( 9.291 3.696 4.453) 10.946 9.639 ( -4.473 -11.470 2.446) 12.551 9.843 ( 0.472 -17.873 -0.919) 17.902 12.182 ( 13.486 5.784 3.850) 15.171 13.595 ( -2.413 -8.514 -22.064) 23.772 16.094 ( 0.616 -0.475 16.740) 16.759 17.078 ( -1.843 -0.132 -0.642) 1.956 19.022 ( -6.464 2.388 4.883) 8.446 19.627 ( -11.063 2.829 -4.908) 12.429 19.809 ( 9.426 4.442 13.356) 16.940 20.424 ( -1.325 -1.785 2.717) 3.510 21.162 ( 0.176 2.600 -0.551) 2.664 21.231 ( -0.025 -2.449 -2.138) 3.251 22.517 ( 0.329 -0.850 -2.069) 2.261 22.790 ( -0.923 -0.001 -5.956) 6.027 26.762 ( 1.733 -2.256 3.609) 4.595 27.223 ( -0.410 -0.589 -4.314) 4.374 29.644 ( 0.484 1.668 2.074) 2.705 29.881 ( -2.035 -0.026 -2.100) 2.924 49.347 ( -7.232 0.259 0.679) 7.268 49.486 ( -1.320 -0.143 -2.550) 2.875 53.579 ( 0.911 -2.296 -5.355) 5.897 53.824 ( 6.716 0.532 -7.508) 10.088 54.147 ( 6.736 -0.254 0.631) 6.770 54.306 ( -1.782 2.148 -1.334) 3.094 55.803 ( -5.089 -0.013 -0.031) 5.089 55.916 ( -3.728 0.228 0.913) 3.845 ======================= Grid point 251 (78/150) ======================= q-point: ( 0.22 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 11.189 -11.612 29.776) 33.862 2.605 ( 15.790 -7.465 28.810) 33.691 3.914 ( 10.933 -17.437 32.569) 38.527 4.536 ( 4.146 0.014 -4.369) 6.023 4.915 ( -12.192 4.358 3.472) 13.405 5.067 ( 4.250 -5.406 -14.270) 15.841 5.450 ( -1.121 2.370 0.131) 2.625 5.821 ( 4.461 3.402 -6.525) 8.605 6.091 ( 4.393 -0.909 0.445) 4.508 6.463 ( -4.899 -5.693 -6.580) 9.985 6.994 ( -7.037 17.786 1.314) 19.172 7.174 ( 13.175 4.635 -8.152) 16.172 7.942 ( -13.055 5.210 -1.020) 14.093 8.052 ( -6.732 -6.294 -3.312) 9.793 9.253 ( 12.092 11.039 6.416) 17.585 9.386 ( 6.198 4.904 4.835) 9.265 9.699 ( -7.199 -12.899 4.324) 15.392 10.074 ( -1.965 -14.755 -5.151) 15.751 12.376 ( 22.720 9.741 6.330) 25.518 13.682 ( -6.115 -13.998 -16.913) 22.790 16.117 ( 1.098 -0.840 15.888) 15.948 17.040 ( -2.943 -0.171 -0.320) 2.965 18.867 ( -5.471 5.113 2.330) 7.842 19.368 ( -15.805 1.931 -4.176) 16.461 19.914 ( 12.455 6.899 12.663) 19.054 20.414 ( -4.042 -3.210 4.491) 6.841 21.135 ( 0.455 2.144 0.150) 2.197 21.259 ( -0.170 -1.900 -2.935) 3.500 22.540 ( 0.765 -1.235 -2.511) 2.901 22.767 ( -1.767 0.163 -5.667) 5.938 26.840 ( 2.796 -3.554 3.025) 5.440 27.224 ( -0.728 -0.884 -3.568) 3.747 29.626 ( 1.068 2.751 1.749) 3.430 29.836 ( -3.528 -0.081 -1.979) 4.046 49.194 ( -10.690 0.090 0.342) 10.696 49.441 ( -3.797 0.764 -5.562) 6.777 53.634 ( 1.528 -2.705 -4.756) 5.680 53.969 ( 11.155 -0.053 -9.057) 14.369 54.192 ( -1.421 4.625 3.278) 5.844 54.336 ( 9.517 -1.823 0.100) 9.691 55.699 ( -7.572 -0.276 -0.228) 7.580 55.825 ( -6.800 0.526 0.481) 6.837 ======================= Grid point 252 (79/150) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 10.615 -10.772 28.009) 31.831 3.005 ( 18.534 -9.762 20.916) 29.602 4.124 ( -7.021 -2.490 9.678) 12.213 4.669 ( 9.039 -5.904 7.064) 12.902 4.712 ( -5.136 2.085 7.347) 9.203 5.189 ( 4.767 -0.077 -6.171) 7.798 5.417 ( -1.743 -2.946 -1.378) 3.690 5.847 ( 3.694 3.209 -3.379) 5.946 6.195 ( 3.725 -4.941 -0.493) 6.208 6.477 ( -1.486 -0.188 -10.829) 10.932 6.666 ( -6.772 10.465 2.664) 12.746 7.280 ( 8.467 6.663 -11.827) 15.999 7.707 ( -8.500 3.116 -2.320) 9.345 8.047 ( -5.540 -7.402 -3.482) 9.880 9.310 ( 11.881 10.099 6.133) 16.756 9.409 ( 3.679 3.396 5.275) 7.273 9.762 ( -6.369 -13.423 6.204) 16.100 10.144 ( -5.246 -5.302 -3.117) 8.084 12.627 ( 23.668 10.293 8.957) 27.319 13.745 ( -9.465 -14.122 -10.448) 19.954 16.147 ( 1.142 -0.851 14.728) 14.796 16.994 ( -2.718 -0.107 0.081) 2.721 18.740 ( -0.146 6.433 -0.805) 6.484 19.101 ( -15.570 -0.770 -5.250) 16.449 20.016 ( 11.361 7.008 11.614) 17.693 20.381 ( -5.834 -4.044 6.371) 9.538 21.120 ( 0.531 1.412 0.599) 1.623 21.276 ( -0.225 -1.182 -3.510) 3.711 22.574 ( 1.377 -1.276 -3.061) 3.591 22.729 ( -2.313 0.487 -5.160) 5.676 26.933 ( 2.725 -3.302 2.287) 4.854 27.222 ( -0.859 -0.691 -2.667) 2.886 29.610 ( 1.560 2.764 1.296) 3.428 29.777 ( -3.800 -0.273 -1.660) 4.156 49.028 ( -9.095 -0.033 -0.188) 9.097 49.357 ( -4.432 1.157 -7.382) 8.688 53.696 ( 2.023 -2.257 -3.849) 4.899 54.088 ( -3.096 4.268 7.279) 8.988 54.156 ( 10.563 -0.511 -11.087) 15.322 54.540 ( 11.288 -1.661 -0.209) 11.412 55.583 ( -6.895 -0.410 -0.305) 6.914 55.694 ( -7.962 0.731 0.177) 7.998 ======================= Grid point 253 (80/150) ======================= q-point: ( 0.44 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 4.783 -5.173 26.941) 27.847 3.424 ( 17.544 -7.745 15.594) 24.717 3.875 ( -16.026 4.993 3.497) 17.146 4.586 ( -1.586 3.840 6.816) 7.983 4.971 ( 8.159 -8.973 8.803) 14.986 5.183 ( -1.885 3.833 -2.199) 4.804 5.474 ( 1.404 -2.946 1.854) 3.753 5.854 ( 1.054 1.175 -2.567) 3.013 6.299 ( -1.850 -3.744 0.249) 4.183 6.368 ( 1.316 5.838 -6.420) 8.776 6.576 ( -1.139 -0.240 -7.101) 7.196 7.277 ( 1.069 3.378 -13.679) 14.131 7.605 ( -1.482 0.948 -3.145) 3.603 8.057 ( -2.252 -3.278 -3.538) 5.323 9.352 ( 4.773 4.204 5.663) 8.516 9.420 ( 1.542 1.359 5.379) 5.758 9.845 ( -1.621 -7.592 6.932) 10.407 10.085 ( -3.722 0.824 0.137) 3.815 12.819 ( 11.221 5.008 10.487) 16.154 13.754 ( -5.734 -6.544 -5.784) 10.448 16.170 ( 0.505 -0.367 13.861) 13.875 16.963 ( -1.111 -0.027 0.390) 1.178 18.699 ( 3.134 4.003 -2.897) 5.851 18.913 ( -8.800 -1.848 -6.664) 11.192 20.085 ( 5.408 3.494 10.531) 12.343 20.344 ( -3.527 -2.380 7.830) 8.911 21.114 ( 0.239 0.493 0.808) 0.976 21.283 ( -0.104 -0.399 -3.808) 3.830 22.615 ( 1.581 -0.939 -3.749) 4.175 22.685 ( -1.960 0.657 -4.473) 4.928 27.000 ( 1.229 -1.403 1.718) 2.536 27.216 ( -0.478 -0.200 -2.008) 2.073 29.604 ( 0.986 1.284 0.907) 1.856 29.731 ( -1.891 -0.263 -1.320) 2.321 48.923 ( -3.524 -0.031 -0.586) 3.572 49.290 ( -1.941 0.534 -8.126) 8.371 53.751 ( 1.336 -1.219 -4.382) 4.741 54.001 ( -1.787 2.046 10.661) 11.002 54.289 ( 4.453 -0.252 -12.509) 13.281 54.703 ( 5.563 -0.755 -0.629) 5.649 55.504 ( -2.923 -0.192 -0.017) 2.929 55.577 ( -4.277 0.426 0.151) 4.301 ======================= Grid point 259 (81/150) ======================= q-point: ( 0.11 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 14.531 -0.000 29.812) 33.165 2.529 ( 16.436 -0.000 30.806) 34.916 3.638 ( 16.673 -0.000 41.692) 44.902 4.536 ( 3.232 -0.000 -7.924) 8.558 4.976 ( 5.666 -0.000 -14.869) 15.912 4.979 ( -11.641 0.000 3.703) 12.216 5.509 ( -0.230 0.000 0.541) 0.588 5.869 ( 2.677 -0.000 -9.577) 9.944 6.092 ( 4.880 -0.000 1.717) 5.174 6.351 ( -8.864 0.000 -5.782) 10.583 7.259 ( 17.068 -0.000 -6.233) 18.170 7.293 ( -6.556 0.000 -4.718) 8.077 7.970 ( -23.373 0.000 5.155) 23.935 8.013 ( -5.726 0.000 -5.815) 8.161 9.359 ( -7.015 0.000 2.783) 7.547 9.456 ( -3.709 0.000 -0.573) 3.753 9.488 ( 8.802 -0.000 9.165) 12.707 9.884 ( 17.249 -0.000 -1.902) 17.354 12.536 ( 24.625 -0.000 1.668) 24.681 13.462 ( -7.147 0.000 -15.152) 16.753 16.108 ( 1.461 -0.000 16.280) 16.346 17.035 ( -3.207 0.000 -0.466) 3.241 18.936 ( -5.305 0.000 1.553) 5.528 19.402 ( -17.928 0.000 -4.994) 18.611 20.019 ( 12.277 -0.000 12.057) 17.208 20.364 ( -4.781 0.000 6.161) 7.798 21.193 ( -0.048 0.000 -2.264) 2.265 21.204 ( 0.134 -0.000 -0.957) 0.967 22.521 ( 0.937 -0.000 -2.221) 2.411 22.769 ( -1.601 0.000 -5.793) 6.010 26.790 ( 3.479 -0.000 3.357) 4.834 27.212 ( -0.529 0.000 -3.856) 3.893 29.666 ( 0.925 -0.000 1.399) 1.677 29.832 ( -3.927 0.000 -1.494) 4.201 49.193 ( -11.054 0.000 0.657) 11.074 49.455 ( -2.886 0.000 -6.481) 7.095 53.587 ( 1.910 -0.000 -5.109) 5.454 53.977 ( 11.341 -0.000 -8.445) 14.140 54.271 ( -4.045 0.000 2.046) 4.533 54.295 ( 11.214 -0.000 0.817) 11.244 55.696 ( -7.668 0.000 0.040) 7.668 55.831 ( -6.814 0.000 0.767) 6.857 ======================= Grid point 260 (82/150) ======================= q-point: ( 0.22 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 17.472 -4.170 24.930) 30.728 2.844 ( 20.422 -2.435 25.529) 32.783 3.974 ( 15.309 -5.683 30.521) 34.615 4.513 ( -6.476 -2.298 -5.327) 8.694 4.850 ( -1.424 3.668 7.358) 8.344 5.116 ( 8.485 -3.564 -11.728) 14.908 5.465 ( -1.692 4.097 2.544) 5.111 5.904 ( 2.212 -0.243 -5.574) 6.002 6.126 ( 0.237 1.629 -0.602) 1.753 6.311 ( -2.078 -7.664 -10.035) 12.797 7.070 ( -8.879 14.022 -1.126) 16.635 7.480 ( 11.165 4.441 -6.427) 13.627 7.657 ( -14.936 -3.090 1.521) 15.328 7.931 ( -4.984 -2.837 -6.364) 8.567 9.219 ( -13.469 -6.923 4.322) 15.749 9.372 ( -10.139 -5.706 0.469) 11.644 9.682 ( 16.161 3.671 9.776) 19.241 10.162 ( 16.219 2.720 -3.770) 16.872 12.909 ( 25.531 9.915 1.680) 27.440 13.386 ( -9.006 -11.578 -6.750) 16.147 16.139 ( 2.293 -0.013 15.350) 15.521 16.982 ( -3.522 -0.473 -0.090) 3.555 18.869 ( -0.506 2.755 -2.461) 3.729 19.094 ( -18.896 0.040 -4.680) 19.467 20.175 ( 8.236 4.739 10.333) 14.038 20.287 ( -4.566 -3.208 9.096) 10.671 21.167 ( 0.005 2.090 -0.983) 2.310 21.228 ( -0.254 -2.195 -2.538) 3.365 22.547 ( 1.722 -0.609 -2.703) 3.262 22.739 ( -2.033 0.188 -5.394) 5.767 26.867 ( 4.563 -1.419 2.765) 5.521 27.207 ( -0.367 -0.352 -3.026) 3.069 29.673 ( 1.082 1.662 0.656) 2.089 29.762 ( -4.870 -0.675 -0.938) 5.005 49.022 ( -9.620 -0.230 0.397) 9.631 49.391 ( -3.948 0.964 -8.908) 9.791 53.635 ( 2.485 -1.651 -4.550) 5.441 54.164 ( 9.525 0.882 -9.547) 13.515 54.180 ( -3.178 1.815 5.686) 6.762 54.493 ( 11.353 -1.342 0.570) 11.446 55.577 ( -6.528 -0.085 -0.308) 6.535 55.706 ( -8.223 0.196 0.423) 8.237 ======================= Grid point 261 (83/150) ======================= q-point: ( 0.33 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 16.084 -3.017 22.295) 27.656 3.243 ( 21.726 -5.990 18.859) 29.386 4.015 ( -8.804 7.029 7.255) 13.399 4.626 ( 6.043 -11.766 11.162) 17.307 4.774 ( -0.063 4.466 9.488) 10.487 5.317 ( 9.733 0.750 -4.609) 10.795 5.369 ( -1.811 1.422 0.061) 2.303 5.928 ( 1.195 2.845 -4.372) 5.352 6.130 ( -1.352 -5.941 -0.382) 6.105 6.408 ( -0.366 -7.423 -14.098) 15.937 6.722 ( -7.908 14.806 2.308) 16.944 7.430 ( -7.870 0.350 -4.685) 9.165 7.566 ( -2.036 2.505 -6.773) 7.503 7.992 ( 6.752 -2.884 -5.940) 9.444 9.102 ( -17.474 -12.577 5.343) 22.183 9.290 ( -12.503 -9.424 1.126) 15.697 9.900 ( 19.135 6.794 10.236) 22.739 10.313 ( 13.488 10.071 -1.256) 16.880 12.942 ( -7.345 3.915 7.093) 10.935 13.589 ( 16.540 -5.348 -4.065) 17.852 16.176 ( 2.584 0.602 14.266) 14.511 16.942 ( -2.563 -1.195 0.419) 2.859 18.776 ( -11.785 1.359 -3.627) 12.405 18.904 ( 1.285 1.141 -6.521) 6.744 20.104 ( -9.222 -1.199 11.470) 14.766 20.362 ( 8.633 2.598 7.787) 11.913 21.141 ( -0.346 1.519 -0.207) 1.571 21.250 ( -0.386 -1.954 -3.272) 3.830 22.591 ( 2.460 -0.770 -3.344) 4.222 22.700 ( -2.085 0.472 -4.758) 5.216 26.961 ( 4.446 -1.293 2.040) 5.060 27.209 ( 0.033 -0.308 -2.168) 2.190 29.640 ( -2.721 1.340 0.487) 3.072 29.720 ( -0.784 -0.551 -0.902) 1.316 48.912 ( -4.157 -0.570 -0.063) 4.196 49.321 ( -2.130 1.445 -9.207) 9.560 53.702 ( 2.527 -1.993 -4.034) 5.160 54.058 ( -5.775 1.880 9.745) 11.483 54.307 ( 6.488 1.307 -12.111) 13.802 54.664 ( 6.043 -1.833 -0.176) 6.317 55.504 ( -2.003 0.165 -0.280) 2.029 55.585 ( -5.380 0.136 0.227) 5.387 ======================= Grid point 262 (84/150) ======================= q-point: ( 0.44 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 9.318 2.520 22.336) 24.333 3.678 ( 17.675 -8.967 9.262) 21.877 3.700 ( -9.967 12.874 10.587) 19.421 4.598 ( -4.277 3.613 9.791) 11.279 4.959 ( 4.842 -9.654 9.107) 14.127 5.235 ( -0.740 7.709 -2.543) 8.151 5.502 ( 5.447 -0.608 0.629) 5.517 5.880 ( -1.098 2.907 -2.462) 3.965 6.199 ( -2.108 -6.201 -1.037) 6.631 6.458 ( 1.070 4.139 -11.955) 12.697 6.494 ( -5.985 -2.201 -2.132) 6.724 7.312 ( -3.249 3.436 -10.563) 11.573 7.512 ( -4.442 -3.982 -2.726) 6.559 8.150 ( 11.245 2.610 -6.417) 13.208 8.986 ( -20.093 -15.904 6.325) 26.394 9.219 ( -13.421 -11.612 1.581) 17.817 10.099 ( 17.991 9.708 9.563) 22.569 10.361 ( 14.239 14.645 1.922) 20.517 12.694 ( -21.938 -4.182 13.632) 26.165 13.910 ( 20.734 4.863 -6.972) 22.409 16.199 ( 1.912 1.676 13.619) 13.854 16.936 ( -0.577 -1.883 0.817) 2.132 18.598 ( -9.861 -3.180 -2.307) 10.615 18.982 ( 10.234 2.931 -7.651) 13.110 19.964 ( -12.656 -4.627 12.826) 18.603 20.450 ( 8.022 4.533 5.127) 10.544 21.116 ( -0.839 0.707 0.421) 1.175 21.268 ( -0.219 -1.505 -3.529) 3.842 22.633 ( 0.868 0.294 -3.926) 4.031 22.672 ( 0.282 -0.166 -4.108) 4.121 27.027 ( 2.732 0.635 1.555) 3.207 27.218 ( 0.850 -0.081 -1.715) 1.916 29.577 ( -4.112 -0.764 1.142) 4.335 29.736 ( 1.938 0.083 -1.591) 2.509 48.911 ( 2.861 -0.799 -0.397) 2.997 49.299 ( 1.713 1.063 -8.336) 8.576 53.755 ( 0.903 -0.796 -4.344) 4.508 53.964 ( -3.949 -0.723 11.434) 12.119 54.323 ( -1.794 2.112 -12.668) 12.968 54.697 ( -4.823 -1.126 -0.884) 5.031 55.514 ( 3.715 0.539 -0.251) 3.762 55.565 ( 2.934 -0.507 0.130) 2.980 ======================= Grid point 263 (85/150) ======================= q-point: (-0.44 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -2.223 11.263 24.334) 26.906 3.332 ( -11.381 14.234 13.237) 22.524 4.072 ( 16.809 -4.872 8.174) 19.316 4.557 ( 0.195 -3.394 9.287) 9.889 4.960 ( -6.003 7.027 8.716) 12.704 5.189 ( 1.311 1.240 -6.892) 7.124 5.527 ( 2.191 4.035 -0.299) 4.601 5.811 ( -4.201 1.355 1.311) 4.605 6.239 ( -5.680 -5.991 -6.675) 10.617 6.355 ( -0.044 2.228 -0.440) 2.271 6.563 ( 2.697 -4.777 -7.596) 9.369 7.218 ( -4.607 2.078 -13.648) 14.553 7.557 ( 1.333 -6.886 -0.124) 7.015 8.261 ( 10.530 7.382 -6.203) 14.278 8.888 ( -19.456 -17.931 7.306) 27.449 9.168 ( -12.908 -12.837 1.963) 18.310 10.171 ( 11.497 15.370 8.722) 21.083 10.434 ( 17.769 13.593 1.833) 22.447 12.383 ( -25.572 -7.921 16.646) 31.524 14.093 ( 15.038 11.593 -12.647) 22.814 16.191 ( 0.718 2.508 13.860) 14.103 16.971 ( 1.430 -2.028 0.791) 2.604 18.563 ( -2.129 -6.315 0.756) 6.707 19.139 ( 12.964 2.018 -6.529) 14.655 19.825 ( -13.987 -7.000 13.573) 20.709 20.500 ( 5.832 4.729 2.484) 7.909 21.097 ( -1.087 -0.231 0.946) 1.459 21.282 ( 0.077 -0.758 -3.485) 3.567 22.608 ( -1.122 1.248 -3.265) 3.671 22.715 ( 2.763 -0.603 -4.714) 5.497 27.025 ( 0.317 3.335 1.685) 3.750 27.237 ( 1.575 0.346 -1.999) 2.568 29.538 ( -3.252 -2.498 1.855) 4.501 29.776 ( 2.854 -0.240 -2.285) 3.663 49.017 ( 8.460 -0.828 -0.353) 8.508 49.346 ( 4.967 0.387 -6.781) 8.414 53.735 ( -2.645 0.774 -2.347) 3.620 53.970 ( -0.138 -4.367 7.734) 8.883 54.207 ( -7.498 3.118 -11.472) 14.055 54.564 ( -11.265 0.020 -0.980) 11.308 55.598 ( 7.167 0.685 -0.670) 7.231 55.669 ( 7.475 -1.069 -0.036) 7.551 ======================= Grid point 264 (86/150) ======================= q-point: (-0.33 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -8.823 15.271 27.019) 32.266 2.962 ( -8.467 17.538 20.472) 28.256 4.281 ( 5.866 4.018 11.871) 13.837 4.592 ( -5.762 4.969 9.170) 11.916 4.807 ( 5.930 -0.311 7.224) 9.351 5.173 ( 0.267 2.423 -11.865) 12.113 5.492 ( 0.929 5.039 -3.249) 6.067 5.731 ( -5.732 -2.097 -1.117) 6.205 6.114 ( -9.663 -0.525 -2.503) 9.995 6.467 ( 3.872 -6.456 -2.635) 7.976 6.675 ( 5.218 -3.998 -1.959) 6.859 7.102 ( -7.636 0.451 -11.872) 14.123 7.724 ( 5.486 -9.280 -1.271) 10.855 8.296 ( 8.390 9.933 -4.761) 13.846 8.843 ( -15.736 -18.177 7.942) 25.320 9.144 ( -10.999 -12.526 2.463) 16.851 10.106 ( 7.885 17.023 8.108) 20.438 10.512 ( 14.313 15.778 -2.103) 21.406 12.109 ( -22.004 -9.635 15.790) 28.746 14.091 ( 7.640 15.624 -19.095) 25.828 16.161 ( -0.110 2.609 14.818) 15.047 17.027 ( 2.242 -1.518 0.365) 2.732 18.687 ( 5.172 -7.772 4.216) 10.243 19.334 ( 12.231 -0.375 -3.909) 12.846 19.703 ( -13.669 -8.389 13.736) 21.116 20.514 ( 3.319 4.163 0.368) 5.337 21.090 ( -0.911 -1.169 1.251) 1.939 21.289 ( 0.239 0.223 -3.298) 3.314 22.577 ( -0.637 1.385 -2.717) 3.116 22.761 ( 2.199 -0.257 -5.298) 5.742 26.960 ( -1.002 5.134 2.266) 5.701 27.252 ( 1.290 1.046 -2.778) 3.236 29.538 ( -1.899 -3.627 2.364) 4.728 29.829 ( 2.776 -0.610 -2.756) 3.959 49.183 ( 10.053 -0.752 0.066) 10.081 49.431 ( 5.437 0.184 -4.716) 7.199 53.679 ( -2.893 0.393 -2.259) 3.692 54.000 ( -7.579 0.127 -7.945) 10.981 54.069 ( -0.695 -2.063 1.810) 2.831 54.374 ( -10.478 0.834 -0.711) 10.535 55.710 ( 7.277 0.540 -0.926) 7.356 55.803 ( 6.723 -1.132 -0.003) 6.818 ======================= Grid point 265 (87/150) ======================= q-point: (-0.22 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -6.897 13.978 31.310) 34.975 2.605 ( -5.582 18.557 26.293) 32.663 4.078 ( -3.651 24.518 31.663) 40.212 4.453 ( -4.107 -1.054 -0.475) 4.266 5.015 ( 5.956 -4.174 -2.396) 7.657 5.159 ( 6.460 3.931 -13.881) 15.807 5.427 ( -3.252 1.811 -1.992) 4.222 5.695 ( -3.901 -4.448 -4.413) 7.381 6.006 ( -5.116 -1.668 -0.037) 5.381 6.574 ( 3.975 -1.992 -2.530) 5.116 6.857 ( 1.811 -8.360 -1.830) 8.747 6.980 ( -5.762 -3.585 -5.762) 8.902 7.951 ( 4.828 -11.023 -2.375) 12.266 8.286 ( 6.564 8.891 -2.973) 11.445 8.865 ( -9.984 -16.758 8.399) 21.238 9.144 ( -7.382 -10.079 3.254) 12.910 9.987 ( 4.288 15.698 6.513) 17.528 10.443 ( 7.077 21.483 -5.924) 23.382 11.954 ( -12.810 -9.937 12.214) 20.299 13.953 ( 2.566 16.507 -23.803) 29.080 16.125 ( -0.295 2.076 15.914) 16.052 17.074 ( 1.598 -0.752 -0.176) 1.775 18.897 ( 7.332 -6.766 6.283) 11.790 19.527 ( 7.085 -4.194 -0.288) 8.238 19.620 ( -9.241 -8.180 12.072) 17.264 20.499 ( 1.200 3.533 -0.675) 3.792 21.100 ( -0.454 -1.967 1.130) 2.313 21.283 ( 0.164 1.234 -3.029) 3.275 22.551 ( -0.224 1.458 -2.426) 2.840 22.790 ( 1.124 0.005 -5.702) 5.811 26.870 ( -1.053 5.500 2.941) 6.325 27.251 ( 0.620 1.357 -3.629) 3.924 29.567 ( -0.748 -3.804 2.585) 4.659 29.875 ( 1.745 -0.613 -2.894) 3.435 49.333 ( 6.582 -0.756 0.612) 6.653 49.497 ( 3.098 0.719 -2.440) 4.008 53.637 ( -1.493 0.557 -3.808) 4.128 53.843 ( -5.952 2.941 -9.511) 11.599 54.114 ( -2.683 -3.565 1.715) 4.780 54.249 ( -2.976 -0.798 -0.454) 3.114 55.805 ( 4.710 0.154 -0.811) 4.782 55.902 ( 3.744 -0.870 0.284) 3.854 ======================= Grid point 266 (88/150) ======================= q-point: (-0.11 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 0.000 16.101 30.948) 34.886 2.328 ( 0.000 8.413 34.938) 35.937 3.704 ( 0.000 23.740 40.855) 47.252 4.432 ( -0.000 -0.410 -4.074) 4.095 4.998 ( 0.000 6.162 -16.174) 17.308 5.329 ( -0.000 -4.315 -9.796) 10.704 5.331 ( -0.000 -0.551 5.108) 5.138 5.726 ( -0.000 -4.845 -6.758) 8.316 5.986 ( -0.000 -0.747 0.828) 1.115 6.689 ( -0.000 -4.796 -0.315) 4.807 6.777 ( 0.000 4.284 -9.510) 10.430 7.153 ( -0.000 -16.140 1.226) 16.186 8.103 ( -0.000 -3.522 -4.326) 5.578 8.313 ( -0.000 -5.103 -1.296) 5.265 8.975 ( -0.000 -12.937 8.837) 15.667 9.187 ( -0.000 -6.144 4.360) 7.534 9.832 ( 0.000 12.918 4.354) 13.633 10.174 ( 0.000 26.343 -5.714) 26.956 11.973 ( -0.000 -8.804 7.684) 11.686 13.765 ( 0.000 14.091 -25.051) 28.742 16.100 ( 0.000 1.246 16.627) 16.674 17.093 ( -0.000 -0.131 -0.554) 0.569 19.041 ( -0.000 -4.338 6.391) 7.724 19.633 ( -0.000 -8.420 14.479) 16.749 19.667 ( -0.000 -4.543 -3.447) 5.703 20.464 ( 0.000 2.955 0.039) 2.955 21.126 ( -0.000 -2.475 0.506) 2.526 21.262 ( 0.000 2.036 -2.667) 3.356 22.530 ( 0.000 1.380 -2.231) 2.623 22.798 ( 0.000 0.068 -5.919) 5.919 26.793 ( 0.000 4.383 3.450) 5.578 27.239 ( 0.000 1.136 -4.221) 4.371 29.608 ( -0.000 -3.053 2.491) 3.941 29.896 ( -0.000 -0.288 -2.643) 2.659 49.398 ( -0.000 -0.795 0.868) 1.177 49.509 ( 0.000 1.086 -1.043) 1.505 53.608 ( 0.000 2.456 -5.139) 5.696 53.766 ( 0.000 0.673 -7.995) 8.024 54.094 ( -0.000 -0.046 0.556) 0.558 54.278 ( -0.000 -3.700 -1.557) 4.014 55.845 ( -0.000 -0.078 -0.480) 0.486 55.942 ( -0.000 -0.519 0.679) 0.855 ======================= Grid point 269 (89/150) ======================= q-point: ( 0.22 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( 21.077 -0.000 19.035) 28.400 3.152 ( 18.882 -0.000 18.565) 26.480 4.226 ( 16.507 -0.000 26.508) 31.228 4.326 ( -10.184 0.000 -1.368) 10.276 4.868 ( -2.759 0.000 12.046) 12.358 5.238 ( 9.905 -0.000 -9.999) 14.074 5.511 ( 2.839 -0.000 2.881) 4.045 5.887 ( -1.322 0.000 -0.668) 1.481 6.170 ( -0.702 0.000 -5.563) 5.607 6.205 ( -1.101 0.000 -14.301) 14.344 7.078 ( -4.923 0.000 -2.463) 5.504 7.227 ( -19.516 0.000 6.037) 20.429 7.775 ( -8.503 0.000 -7.295) 11.203 7.862 ( 17.429 -0.000 -10.037) 20.112 8.912 ( -17.341 0.000 5.035) 18.057 9.146 ( -12.321 0.000 -0.320) 12.325 10.001 ( 19.271 -0.000 11.201) 22.289 10.460 ( 16.128 -0.000 -1.993) 16.251 13.001 ( -21.837 0.000 5.364) 22.487 13.510 ( 32.471 -0.000 -2.986) 32.608 16.187 ( 3.521 -0.000 14.481) 14.903 16.922 ( -3.271 0.000 0.508) 3.310 18.788 ( -17.907 0.000 -3.980) 18.344 18.929 ( 5.432 -0.000 -6.682) 8.611 20.082 ( -12.380 0.000 12.714) 17.746 20.405 ( 10.746 -0.000 7.049) 12.852 21.189 ( -0.329 0.000 -1.838) 1.868 21.195 ( -0.773 0.000 -1.996) 2.140 22.580 ( 2.776 -0.000 -3.108) 4.167 22.707 ( -2.047 0.000 -4.850) 5.264 26.942 ( 5.660 -0.000 2.216) 6.079 27.204 ( 0.268 -0.000 -2.208) 2.225 29.663 ( -6.148 0.000 0.163) 6.150 29.709 ( 1.658 -0.000 -0.579) 1.756 48.903 ( -4.358 0.000 0.309) 4.369 49.344 ( -2.337 0.000 -10.014) 10.284 53.671 ( 3.173 -0.000 -3.885) 5.016 54.085 ( -7.378 0.000 9.570) 12.084 54.331 ( 7.288 -0.000 -12.220) 14.228 54.633 ( 6.096 -0.000 0.303) 6.103 55.508 ( -1.538 0.000 -0.592) 1.648 55.586 ( -5.827 0.000 0.338) 5.837 ======================= Grid point 270 (90/150) ======================= q-point: ( 0.33 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( 18.470 2.838 15.564) 24.320 3.444 ( 11.642 -6.916 9.408) 16.488 4.096 ( 1.393 15.124 11.299) 18.930 4.566 ( 5.760 -11.824 13.005) 18.496 4.752 ( -7.373 0.368 15.490) 17.159 5.405 ( 6.538 0.663 -2.412) 7.001 5.522 ( 7.207 5.997 -1.760) 9.540 5.926 ( -0.200 -4.603 0.323) 4.619 6.074 ( -1.975 3.420 -8.767) 9.616 6.275 ( -2.849 -8.630 -12.033) 15.079 6.785 ( -8.691 14.217 -0.058) 16.663 7.171 ( -6.434 -11.999 0.327) 13.619 7.593 ( -7.122 5.824 -7.998) 12.191 8.153 ( 15.013 -1.906 -10.244) 18.275 8.665 ( -19.121 -6.758 5.953) 21.136 8.980 ( -12.537 -4.982 -0.774) 13.513 10.290 ( 19.503 3.951 12.267) 23.377 10.658 ( 13.841 6.322 1.376) 15.279 12.614 ( -26.427 -1.642 15.469) 30.666 13.999 ( 28.026 1.729 -7.488) 29.061 16.243 ( 3.989 1.195 13.619) 14.242 16.885 ( -2.203 -1.411 1.319) 2.929 18.542 ( -12.737 -1.067 -2.037) 12.943 19.045 ( 9.799 1.418 -8.865) 13.290 19.873 ( -14.731 -1.882 14.876) 21.020 20.544 ( 8.133 2.084 3.288) 9.016 21.152 ( -0.993 1.923 -1.016) 2.391 21.212 ( -0.636 -2.466 -2.529) 3.589 22.632 ( 3.346 -0.141 -3.659) 4.960 22.674 ( -1.668 0.165 -4.086) 4.416 27.036 ( 5.493 0.090 1.564) 5.712 27.214 ( 0.958 -0.095 -1.459) 1.748 29.564 ( -5.998 -0.229 1.211) 6.123 29.737 ( 1.787 0.019 -1.715) 2.477 48.892 ( 2.619 -0.462 0.089) 2.661 49.328 ( 1.235 0.745 -9.148) 9.261 53.729 ( 2.986 -0.726 -3.481) 4.643 53.956 ( -8.059 -0.054 11.025) 13.657 54.381 ( 0.126 1.684 -12.808) 12.919 54.658 ( -4.525 -1.300 -0.591) 4.745 55.530 ( 4.170 0.524 -0.743) 4.268 55.552 ( 1.949 -0.438 0.204) 2.008 ======================= Grid point 271 (91/150) ======================= q-point: ( 0.44 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 2.602 5.021 12.497) 13.717 3.619 ( 2.191 3.751 8.479) 9.527 4.064 ( 17.387 8.433 15.944) 25.053 4.510 ( -9.164 -0.454 14.739) 17.362 4.876 ( 2.418 -10.749 5.533) 12.329 5.356 ( 1.127 9.572 -1.497) 9.753 5.636 ( 8.049 3.285 -3.087) 9.225 5.893 ( -2.479 3.608 3.146) 5.391 6.074 ( -3.902 -5.635 -6.191) 9.236 6.320 ( -4.359 -7.615 -4.842) 10.021 6.551 ( -0.660 7.558 -10.174) 12.691 7.245 ( -1.862 -6.304 -4.038) 7.714 7.431 ( -4.160 1.814 -4.055) 6.086 8.371 ( 7.465 -0.427 -8.853) 11.588 8.484 ( -14.658 -10.502 5.848) 18.957 8.868 ( -11.808 -7.660 -1.029) 14.112 10.500 ( 15.766 8.728 12.256) 21.793 10.762 ( 13.548 9.890 4.371) 17.334 12.218 ( -26.933 -4.414 22.381) 35.296 14.335 ( 19.735 6.389 -13.497) 24.748 16.272 ( 2.979 3.172 13.228) 13.925 16.895 ( -0.356 -3.233 1.901) 3.767 18.430 ( -4.482 -3.547 1.546) 5.921 19.197 ( 11.532 2.038 -8.301) 14.355 19.668 ( -15.682 -4.506 15.653) 22.611 20.613 ( 4.971 3.388 -0.701) 6.057 21.111 ( -1.203 1.353 0.026) 1.811 21.238 ( -0.202 -2.428 -2.704) 3.639 22.637 ( -1.125 0.853 -3.289) 3.579 22.699 ( 3.306 -0.498 -4.234) 5.395 27.098 ( 3.569 2.091 1.212) 4.311 27.239 ( 1.831 -0.190 -1.220) 2.208 29.485 ( -4.921 -1.422 2.175) 5.565 29.768 ( 1.978 -0.273 -2.677) 3.340 48.992 ( 8.332 -0.828 0.008) 8.373 49.367 ( 4.799 0.884 -7.271) 8.757 53.752 ( -2.049 0.760 -1.120) 2.456 53.868 ( -3.465 -3.255 7.563) 8.933 54.301 ( -5.144 3.574 -10.949) 12.614 54.540 ( -11.248 -1.636 -1.473) 11.461 55.615 ( 7.028 0.459 -0.729) 7.080 55.644 ( 7.112 -0.688 -0.628) 7.173 ======================= Grid point 272 (92/150) ======================= q-point: (-0.44 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -4.206 10.608 14.486) 18.441 3.437 ( -4.118 17.552 19.087) 26.256 4.276 ( 9.581 1.204 10.091) 13.967 4.509 ( 4.892 -7.828 10.147) 13.717 4.968 ( 0.246 1.284 5.510) 5.663 5.245 ( -1.155 6.149 -6.011) 8.676 5.654 ( 4.013 7.453 -4.100) 9.405 5.772 ( -5.105 4.786 4.655) 8.405 6.025 ( -10.724 -5.253 -3.747) 12.515 6.365 ( 2.040 -2.897 -2.740) 4.479 6.573 ( 4.808 -2.708 -10.679) 12.020 7.182 ( -5.171 3.701 -12.216) 13.772 7.492 ( 2.914 -8.056 3.174) 9.136 8.330 ( -14.734 -13.843 5.402) 20.926 8.554 ( 7.598 2.667 -6.341) 10.250 8.805 ( -10.552 -10.471 -0.677) 14.881 10.541 ( 9.038 14.680 11.855) 20.922 10.856 ( 13.606 9.965 4.021) 17.338 11.889 ( -22.189 -6.728 24.940) 34.054 14.458 ( 10.453 11.448 -20.026) 25.325 16.255 ( 1.339 4.361 13.602) 14.346 16.952 ( 1.099 -3.996 1.825) 4.529 18.495 ( 4.202 -6.189 5.695) 9.402 19.341 ( 6.950 0.528 -2.025) 7.258 19.504 ( -11.941 -6.055 11.911) 17.920 20.622 ( 2.227 3.665 -3.990) 5.858 21.080 ( -1.031 0.548 1.025) 1.553 21.267 ( 0.216 -1.811 -2.755) 3.304 22.609 ( -0.737 1.020 -2.619) 2.906 22.755 ( 2.741 -0.234 -4.802) 5.535 27.092 ( 1.259 4.525 1.452) 4.916 27.271 ( 1.964 0.303 -1.697) 2.613 29.448 ( -3.161 -2.930 2.876) 5.181 29.808 ( 1.919 -0.851 -3.344) 3.948 49.159 ( 10.061 -0.915 0.252) 10.106 49.447 ( 6.054 0.821 -5.007) 7.899 53.674 ( -5.254 -0.313 1.597) 5.500 53.900 ( -0.736 -4.224 0.337) 4.301 54.149 ( -6.058 4.396 -7.273) 10.436 54.375 ( -10.409 -0.778 -1.846) 10.600 55.725 ( 6.866 0.471 -1.413) 7.025 55.771 ( 6.615 -1.110 -0.664) 6.741 ======================= Grid point 273 (93/150) ======================= q-point: (-0.33 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( -2.866 18.336 21.089) 28.093 3.108 ( -5.178 18.111 22.147) 29.074 4.346 ( 0.904 -2.017 7.264) 7.592 4.706 ( 5.978 9.764 13.495) 17.697 4.879 ( 2.660 2.170 8.068) 8.768 5.189 ( -1.841 -1.447 -11.142) 11.386 5.589 ( 0.878 6.860 -6.077) 9.206 5.651 ( -3.263 3.526 -2.702) 5.512 5.921 ( -8.262 -4.441 0.964) 9.429 6.453 ( 2.570 -4.006 -2.204) 5.245 6.697 ( 3.979 -4.168 -5.195) 7.758 7.044 ( -4.485 4.848 -11.890) 13.601 7.663 ( 2.952 -10.006 1.301) 10.513 8.352 ( -7.930 -17.579 7.675) 20.756 8.574 ( 3.693 8.132 -5.789) 10.643 8.822 ( -6.656 -13.224 0.373) 14.810 10.434 ( 4.358 17.093 11.127) 20.855 10.893 ( 8.327 12.541 0.081) 15.054 11.704 ( -12.671 -8.446 23.249) 27.793 14.388 ( 3.669 15.321 -24.868) 29.438 16.209 ( 0.298 4.256 14.495) 15.110 17.022 ( 1.125 -3.381 1.158) 3.747 18.698 ( 8.200 -7.502 8.280) 13.859 19.334 ( -10.703 -8.876 15.848) 21.083 19.518 ( 4.833 -0.462 -3.196) 5.812 20.596 ( 0.684 3.543 -5.543) 6.614 21.066 ( -0.581 -0.422 1.635) 1.785 21.289 ( 0.234 -0.807 -2.841) 2.963 22.587 ( -0.278 1.165 -2.293) 2.587 22.790 ( 1.442 0.016 -5.253) 5.447 27.029 ( 0.050 6.113 1.993) 6.430 27.286 ( 1.012 1.134 -2.479) 2.907 29.459 ( -1.341 -4.065 3.183) 5.334 29.849 ( 1.294 -1.248 -3.629) 4.050 49.311 ( 6.635 -0.801 0.731) 6.723 49.521 ( 4.075 0.979 -2.942) 5.120 53.615 ( -3.339 -1.472 -0.596) 3.697 53.909 ( -3.546 -0.914 -8.005) 8.803 54.042 ( -1.305 0.995 0.452) 1.702 54.246 ( -5.593 0.008 -1.297) 5.741 55.812 ( 4.246 0.288 -1.678) 4.575 55.872 ( 3.746 -1.272 -0.468) 3.984 ======================= Grid point 274 (94/150) ======================= q-point: (-0.22 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 0.000 19.162 26.983) 33.095 2.821 ( 0.000 19.380 24.193) 30.998 4.387 ( -0.000 -2.889 2.724) 3.971 4.412 ( 0.000 27.359 27.656) 38.902 5.008 ( -0.000 -5.765 -2.369) 6.233 5.219 ( -0.000 -3.937 -11.435) 12.094 5.475 ( 0.000 10.660 -5.769) 12.121 5.611 ( -0.000 -2.565 -4.516) 5.194 5.914 ( -0.000 -4.428 1.675) 4.734 6.538 ( -0.000 -5.610 0.007) 5.610 6.813 ( -0.000 -7.865 -1.216) 7.959 6.923 ( 0.000 6.229 -11.436) 13.022 7.836 ( -0.000 -11.738 -0.768) 11.764 8.471 ( 0.000 10.337 -4.991) 11.479 8.539 ( -0.000 -19.020 9.321) 21.182 8.935 ( -0.000 -12.111 1.744) 12.236 10.240 ( 0.000 17.154 9.169) 19.451 10.766 ( 0.000 17.311 -4.198) 17.813 11.719 ( -0.000 -9.522 18.434) 20.748 14.198 ( 0.000 17.078 -26.396) 31.439 16.160 ( 0.000 3.344 15.394) 15.753 17.068 ( -0.000 -2.081 0.359) 2.112 18.880 ( -0.000 -7.177 8.203) 10.899 19.363 ( -0.000 -11.058 16.422) 19.798 19.578 ( -0.000 -1.673 -2.517) 3.023 20.554 ( 0.000 3.566 -4.506) 5.746 21.073 ( -0.000 -1.354 1.677) 2.156 21.294 ( 0.000 0.281 -2.952) 2.965 22.568 ( 0.000 1.336 -2.302) 2.662 22.801 ( 0.000 0.111 -5.555) 5.556 26.943 ( 0.000 6.482 2.554) 6.967 27.276 ( 0.000 1.511 -3.208) 3.546 29.506 ( -0.000 -4.351 3.075) 5.328 29.876 ( -0.000 -1.154 -3.481) 3.667 49.376 ( -0.000 -0.771 1.018) 1.277 49.541 ( 0.000 1.217 -1.822) 2.191 53.609 ( -0.000 -1.626 -2.581) 3.051 53.849 ( 0.000 3.767 -10.227) 10.899 54.050 ( -0.000 -2.620 1.896) 3.234 54.209 ( -0.000 -0.975 -0.638) 1.165 55.845 ( 0.000 0.088 -1.442) 1.445 55.919 ( -0.000 -1.155 -0.109) 1.160 ======================= Grid point 279 (95/150) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( -1.802 0.000 7.067) 7.293 3.636 ( 21.477 -0.000 10.692) 23.992 4.314 ( 3.039 -0.000 15.976) 16.262 4.539 ( 2.430 -0.000 10.145) 10.432 4.595 ( -5.286 0.000 13.124) 14.149 5.567 ( 9.689 -0.000 -0.103) 9.690 5.629 ( 1.101 -0.000 0.915) 1.431 5.907 ( 3.163 -0.000 -3.285) 4.560 6.085 ( -8.589 0.000 -3.332) 9.212 6.127 ( 0.517 -0.000 -11.717) 11.729 6.755 ( -7.946 0.000 -9.339) 12.262 7.036 ( 1.608 -0.000 3.308) 3.678 7.504 ( -7.493 0.000 -6.090) 9.655 8.320 ( -18.235 0.000 6.418) 19.332 8.351 ( 9.442 -0.000 -11.010) 14.504 8.786 ( -6.703 0.000 -3.244) 7.446 10.617 ( 17.344 -0.000 13.963) 22.266 10.901 ( 11.091 -0.000 4.732) 12.058 12.158 ( -27.383 0.000 24.498) 36.742 14.420 ( 21.531 -0.000 -13.653) 25.495 16.323 ( 4.469 -0.000 13.076) 13.819 16.842 ( -1.675 0.000 2.390) 2.918 18.382 ( -5.441 0.000 1.771) 5.722 19.228 ( 11.359 -0.000 -9.586) 14.863 19.605 ( -16.602 0.000 16.980) 23.748 20.660 ( 4.435 -0.000 -1.914) 4.830 21.166 ( -1.024 0.000 -0.984) 1.420 21.167 ( -0.404 0.000 -1.849) 1.893 22.649 ( -1.405 0.000 -3.259) 3.549 22.692 ( 3.798 -0.000 -4.038) 5.543 27.128 ( 5.363 -0.000 0.992) 5.454 27.234 ( 1.475 -0.000 -0.815) 1.686 29.466 ( -5.609 0.000 2.268) 6.050 29.764 ( 1.611 -0.000 -2.813) 3.242 48.980 ( 8.387 -0.000 0.219) 8.390 49.380 ( 4.550 -0.000 -7.616) 8.871 53.773 ( 2.735 -0.000 -3.200) 4.210 53.812 ( -9.041 0.000 10.021) 13.497 54.362 ( -3.632 0.000 -11.525) 12.084 54.505 ( -11.997 0.000 -0.795) 12.023 55.620 ( 6.438 -0.000 0.301) 6.445 55.636 ( 7.421 -0.000 -1.944) 7.671 ======================= Grid point 280 (96/150) ======================= q-point: (-0.56 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( -2.732 1.108 11.768) 12.132 3.855 ( 7.581 13.032 13.053) 19.942 4.264 ( -2.523 -9.275 15.781) 18.478 4.447 ( 2.777 9.348 7.531) 12.321 4.795 ( 6.914 -9.778 2.231) 12.181 5.509 ( 0.245 10.933 0.359) 10.941 5.765 ( 4.648 -3.541 -0.717) 5.887 5.911 ( -8.855 0.350 7.060) 11.330 5.933 ( 0.443 4.832 -6.229) 7.896 6.208 ( 2.508 -6.463 -7.962) 10.557 6.630 ( -0.630 5.103 -15.791) 16.607 7.126 ( -0.443 -7.546 -1.063) 7.633 7.397 ( -2.621 1.161 -0.918) 3.010 8.070 ( -16.162 -4.344 6.493) 17.951 8.439 ( -2.614 -6.088 -6.755) 9.462 8.761 ( 3.651 1.990 -8.175) 9.172 10.824 ( 12.149 5.870 14.545) 19.840 11.033 ( 9.042 3.362 7.389) 12.151 11.766 ( -22.425 -2.431 30.459) 37.902 14.669 ( 12.481 4.144 -20.147) 24.059 16.367 ( 3.106 3.156 12.892) 13.631 16.843 ( -0.521 -3.172 3.126) 4.484 18.380 ( 3.408 -2.244 6.368) 7.563 19.338 ( -12.812 -0.779 14.445) 19.324 19.410 ( 6.032 -1.033 -4.887) 7.832 20.692 ( 1.080 1.426 -6.633) 6.870 21.121 ( -0.692 2.403 -0.146) 2.505 21.201 ( 0.147 -2.946 -1.664) 3.387 22.628 ( -0.897 0.385 -2.497) 2.681 22.750 ( 3.156 -0.095 -4.439) 5.447 27.187 ( 3.379 2.425 0.725) 4.222 27.265 ( 1.931 -0.676 -0.667) 2.152 29.393 ( -4.112 -1.110 3.143) 5.293 29.790 ( 1.310 -0.384 -3.661) 3.907 49.141 ( 10.366 -0.380 0.460) 10.383 49.465 ( 5.928 0.414 -5.470) 8.077 53.671 ( -7.493 0.060 6.512) 9.927 53.818 ( 0.788 -1.735 -2.934) 3.498 54.256 ( -6.830 3.558 -6.125) 9.840 54.334 ( -9.328 -2.286 -3.359) 10.174 55.729 ( 6.436 -0.125 -0.238) 6.442 55.754 ( 6.654 -0.148 -2.514) 7.115 ======================= Grid point 281 (97/150) ======================= q-point: (-0.44 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( -0.039 5.142 17.742) 18.472 3.598 ( -6.017 18.786 18.032) 26.726 4.349 ( -0.341 1.778 6.963) 7.194 4.540 ( 9.266 -9.298 6.714) 14.745 4.986 ( 4.409 -5.142 -2.686) 7.286 5.348 ( -0.678 13.500 5.295) 14.517 5.753 ( -9.100 1.643 -11.674) 14.893 5.792 ( -0.318 3.227 9.296) 9.845 5.856 ( 0.545 5.687 -0.023) 5.713 6.348 ( 2.835 -5.706 -5.339) 8.312 6.627 ( 3.321 -0.374 -14.937) 15.306 7.131 ( -4.140 -0.201 -9.635) 10.488 7.447 ( 3.002 -5.618 6.723) 9.262 7.941 ( -10.582 -10.431 7.036) 16.441 8.482 ( -4.493 -10.551 -3.584) 12.015 8.785 ( 4.260 5.624 -10.063) 12.290 10.837 ( 5.159 12.438 14.294) 19.638 11.115 ( 6.705 4.423 7.179) 10.773 11.525 ( -12.802 -4.819 32.062) 34.858 14.718 ( 4.884 8.978 -25.049) 27.054 16.341 ( 1.124 5.322 13.208) 14.284 16.902 ( 0.361 -5.190 3.084) 6.048 18.534 ( 8.872 -4.485 9.509) 13.757 19.138 ( -14.240 -5.365 18.298) 23.798 19.527 ( 5.915 0.659 -6.143) 8.553 20.673 ( -0.178 2.061 -9.356) 9.582 21.084 ( -0.433 1.756 0.818) 1.985 21.242 ( 0.305 -2.556 -1.995) 3.256 22.611 ( -0.396 0.648 -2.028) 2.166 22.791 ( 1.734 0.024 -4.803) 5.106 27.174 ( 1.158 4.601 1.045) 4.859 27.301 ( 1.385 -0.164 -1.197) 1.838 29.368 ( -2.001 -2.593 3.633) 4.892 29.817 ( 0.848 -0.997 -4.113) 4.316 49.294 ( 7.052 -0.473 0.824) 7.115 49.544 ( 4.183 0.655 -3.537) 5.517 53.580 ( -4.405 -1.030 3.325) 5.614 53.841 ( -1.234 -2.375 -4.823) 5.516 54.115 ( -4.181 2.587 -1.662) 5.190 54.243 ( -4.467 -0.163 -4.048) 6.030 55.816 ( 3.850 -0.099 -1.155) 4.021 55.844 ( 3.783 -0.610 -2.126) 4.382 ======================= Grid point 282 (98/150) ======================= q-point: (-0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 0.000 10.236 21.411) 23.732 3.262 ( 0.000 21.376 18.681) 28.389 4.330 ( -0.000 -0.082 6.393) 6.393 4.765 ( -0.000 -9.906 4.649) 10.942 5.093 ( 0.000 21.302 16.493) 26.940 5.095 ( -0.000 -5.409 -8.452) 10.035 5.638 ( 0.000 3.670 -11.166) 11.754 5.754 ( 0.000 9.375 -7.396) 11.942 5.788 ( -0.000 -3.646 9.659) 10.325 6.427 ( -0.000 -3.450 -4.456) 5.635 6.687 ( -0.000 -2.800 -9.424) 9.831 7.067 ( 0.000 3.672 -11.093) 11.685 7.565 ( -0.000 -8.100 4.592) 9.311 8.039 ( -0.000 -16.979 8.533) 19.002 8.595 ( -0.000 -12.566 -1.599) 12.667 8.729 ( 0.000 8.256 -9.013) 12.223 10.688 ( 0.000 15.722 13.395) 20.655 11.095 ( 0.000 7.897 3.730) 8.733 11.497 ( -0.000 -6.909 29.386) 30.188 14.607 ( 0.000 13.009 -26.823) 29.811 16.277 ( 0.000 5.367 13.871) 14.873 16.975 ( -0.000 -4.903 2.237) 5.389 18.702 ( -0.000 -5.707 9.626) 11.191 19.092 ( -0.000 -8.744 18.605) 20.558 19.569 ( 0.000 0.533 -4.477) 4.509 20.640 ( 0.000 2.678 -9.159) 9.542 21.063 ( 0.000 0.721 1.478) 1.645 21.274 ( -0.000 -1.773 -2.393) 2.979 22.598 ( 0.000 0.886 -1.983) 2.172 22.804 ( 0.000 0.116 -5.081) 5.082 27.112 ( 0.000 5.892 1.542) 6.090 27.308 ( 0.000 0.731 -1.891) 2.028 29.395 ( -0.000 -3.734 3.636) 5.211 29.841 ( -0.000 -1.386 -4.104) 4.332 49.359 ( -0.000 -0.505 1.048) 1.163 49.569 ( 0.000 0.898 -2.568) 2.721 53.562 ( -0.000 -1.665 0.868) 1.877 53.857 ( -0.000 -2.348 -6.788) 7.183 54.054 ( 0.000 2.308 -0.243) 2.321 54.203 ( 0.000 0.246 -2.522) 2.534 55.848 ( 0.000 0.057 -1.817) 1.818 55.887 ( -0.000 -1.093 -1.237) 1.651 ======================= Grid point 289 (99/150) ======================= q-point: ( 0.44 -0.56 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( -0.248 0.000 19.781) 19.783 3.960 ( -10.956 0.000 16.244) 19.593 4.233 ( 13.859 -0.000 6.704) 15.395 4.487 ( -3.955 0.000 3.882) 5.541 4.882 ( 8.182 -0.000 -2.517) 8.560 5.591 ( -1.189 0.000 6.607) 6.713 5.685 ( -6.137 0.000 -8.041) 10.115 5.864 ( 1.686 -0.000 12.862) 12.972 6.024 ( 2.639 -0.000 -2.346) 3.531 6.204 ( 2.385 -0.000 -10.109) 10.386 6.648 ( -0.794 0.000 -20.098) 20.114 7.064 ( -1.068 0.000 -3.081) 3.261 7.390 ( 1.234 -0.000 6.612) 6.726 7.823 ( -10.796 0.000 5.204) 11.985 8.324 ( -4.050 0.000 -5.643) 6.946 8.862 ( 4.581 -0.000 -11.794) 12.653 11.028 ( 7.201 -0.000 15.747) 17.315 11.153 ( 4.153 -0.000 9.606) 10.466 11.460 ( -12.904 0.000 35.437) 37.713 14.840 ( 5.416 -0.000 -24.994) 25.574 16.434 ( 1.903 -0.000 12.856) 12.996 16.810 ( -0.413 0.000 3.880) 3.902 18.473 ( 9.131 -0.000 9.916) 13.480 19.066 ( -15.257 0.000 18.942) 24.322 19.538 ( 6.055 -0.000 -7.143) 9.364 20.700 ( -0.641 0.000 -10.644) 10.663 21.135 ( -0.644 0.000 -0.463) 0.793 21.181 ( 0.702 -0.000 -0.950) 1.181 22.620 ( -0.452 0.000 -1.920) 1.973 22.791 ( 1.852 -0.000 -4.611) 4.969 27.257 ( 2.226 -0.000 0.261) 2.241 27.279 ( 0.955 -0.000 -0.245) 0.986 29.332 ( -2.299 0.000 3.797) 4.439 29.803 ( 0.657 -0.000 -4.287) 4.337 49.287 ( 7.250 -0.000 0.849) 7.300 49.553 ( 4.128 -0.000 -3.780) 5.597 53.565 ( -4.872 0.000 5.295) 7.195 53.809 ( -0.770 0.000 -5.492) 5.545 54.150 ( -6.358 0.000 0.798) 6.408 54.241 ( -2.468 0.000 -6.967) 7.392 55.811 ( 3.708 -0.000 -0.198) 3.714 55.839 ( 3.789 -0.000 -3.477) 5.143 ======================= Grid point 291 (100/150) ======================= q-point: (-0.44 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.362 ( 0.000 1.126 23.831) 23.858 3.761 ( 0.000 14.008 13.692) 19.588 4.384 ( 0.000 2.509 3.733) 4.498 4.477 ( -0.000 -9.742 6.555) 11.742 4.970 ( -0.000 -3.082 -6.106) 6.840 5.522 ( 0.000 9.103 10.464) 13.869 5.636 ( -0.000 -1.893 -7.224) 7.468 5.851 ( 0.000 4.758 9.286) 10.434 5.976 ( 0.000 7.847 -3.694) 8.673 6.290 ( -0.000 -6.994 -6.993) 9.890 6.645 ( -0.000 -0.529 -19.399) 19.406 7.071 ( -0.000 -2.487 -6.637) 7.088 7.426 ( -0.000 -2.409 10.473) 10.747 7.751 ( -0.000 -4.136 4.452) 6.076 8.331 ( -0.000 -6.087 -4.906) 7.818 8.881 ( 0.000 2.980 -11.978) 12.343 11.023 ( 0.000 8.617 15.296) 17.556 11.195 ( -0.000 -0.015 9.727) 9.727 11.369 ( -0.000 -2.552 36.164) 36.254 14.849 ( 0.000 4.823 -26.773) 27.204 16.418 ( 0.000 4.241 12.933) 13.610 16.838 ( -0.000 -4.243 3.927) 5.781 18.598 ( -0.000 -2.027 10.099) 10.300 18.929 ( -0.000 -3.269 20.043) 20.308 19.585 ( 0.000 0.456 -6.166) 6.183 20.687 ( 0.000 0.873 -11.688) 11.721 21.109 ( 0.000 2.323 0.126) 2.327 21.210 ( -0.000 -2.644 -1.394) 2.989 22.614 ( 0.000 0.316 -1.749) 1.777 22.806 ( 0.000 0.053 -4.737) 4.737 27.240 ( 0.000 3.638 0.547) 3.679 27.305 ( -0.000 -1.116 -0.616) 1.275 29.323 ( -0.000 -1.470 3.974) 4.237 29.812 ( -0.000 -0.614 -4.446) 4.488 49.350 ( -0.000 -0.174 1.027) 1.042 49.586 ( 0.000 0.329 -3.016) 3.034 53.529 ( -0.000 -0.692 3.881) 3.942 53.806 ( -0.000 -1.093 -6.308) 6.402 54.096 ( 0.000 0.662 1.183) 1.356 54.217 ( 0.000 0.535 -5.700) 5.725 55.844 ( -0.000 -0.280 -0.478) 0.554 55.871 ( -0.000 -0.150 -3.387) 3.390 ======================= Grid point 332 (101/150) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 0.000 0.000 33.092) 33.092 2.907 ( 0.000 0.000 33.203) 33.203 4.167 ( 0.000 0.000 32.503) 32.503 4.230 ( 0.000 0.000 -14.918) 14.918 4.552 ( 0.000 0.000 -14.545) 14.545 5.277 ( 0.000 0.000 -3.606) 3.606 5.385 ( 0.000 0.000 -2.367) 2.367 5.575 ( 0.000 0.000 -11.392) 11.392 6.081 ( 0.000 0.000 6.473) 6.473 6.555 ( 0.000 0.000 -8.752) 8.752 6.793 ( 0.000 0.000 3.681) 3.681 7.287 ( 0.000 0.000 -8.612) 8.612 8.067 ( 0.000 0.000 0.228) 0.228 8.417 ( 0.000 0.000 -8.596) 8.596 9.307 ( 0.000 0.000 5.720) 5.720 9.344 ( 0.000 0.000 3.957) 3.957 9.646 ( 0.000 0.000 4.193) 4.193 9.760 ( 0.000 0.000 0.935) 0.935 12.205 ( 0.000 0.000 7.373) 7.373 13.102 ( 0.000 0.000 -22.768) 22.768 16.414 ( 0.000 0.000 16.764) 16.764 17.048 ( 0.000 0.000 -4.158) 4.158 19.218 ( 0.000 0.000 6.644) 6.644 19.621 ( 0.000 0.000 -6.904) 6.904 20.007 ( 0.000 0.000 12.316) 12.316 20.429 ( 0.000 0.000 -1.288) 1.288 21.162 ( 0.000 0.000 -1.041) 1.041 21.187 ( 0.000 0.000 -0.794) 0.794 22.487 ( 0.000 0.000 -0.192) 0.192 22.679 ( 0.000 0.000 -6.050) 6.050 26.815 ( 0.000 0.000 4.788) 4.788 27.126 ( 0.000 0.000 -5.379) 5.379 29.697 ( 0.000 0.000 2.589) 2.589 29.853 ( 0.000 0.000 -2.521) 2.521 49.426 ( 0.000 0.000 0.865) 0.865 49.478 ( 0.000 0.000 -0.808) 0.808 53.480 ( 0.000 0.000 -2.318) 2.318 53.641 ( 0.000 0.000 -6.544) 6.544 54.102 ( 0.000 0.000 1.262) 1.262 54.266 ( 0.000 0.000 -4.059) 4.059 55.861 ( 0.000 0.000 1.434) 1.434 55.955 ( 0.000 0.000 -0.436) 0.436 ======================= Grid point 333 (102/150) ======================= q-point: ( 0.11 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 5.254 -6.126 31.288) 32.312 2.978 ( 6.525 -2.714 32.456) 33.217 4.238 ( 1.805 -3.633 9.763) 10.572 4.288 ( 5.046 -5.833 2.524) 8.115 4.616 ( 4.313 -4.258 -12.633) 14.012 5.154 ( -8.620 2.590 -0.750) 9.032 5.449 ( 4.623 0.807 -1.828) 5.037 5.597 ( 3.176 0.444 -10.858) 11.322 6.098 ( 2.355 0.683 5.639) 6.149 6.463 ( -8.983 -1.584 -4.140) 10.017 6.889 ( 11.317 3.658 -2.262) 12.107 7.216 ( -3.493 6.872 -6.738) 10.238 8.022 ( -4.542 0.270 -1.203) 4.706 8.238 ( -13.047 5.875 -4.369) 14.961 9.329 ( 7.389 7.275 4.952) 11.491 9.395 ( 7.540 3.141 2.759) 8.621 9.702 ( -3.745 -11.022 3.823) 12.253 9.839 ( -0.496 -12.307 -0.153) 12.318 12.294 ( 12.355 2.025 8.053) 14.886 13.174 ( 2.636 -7.098 -21.395) 22.695 16.416 ( 0.083 -0.213 16.438) 16.440 17.036 ( -1.566 -0.185 -4.000) 4.300 19.128 ( -8.575 1.913 6.141) 10.719 19.515 ( -10.890 1.633 -6.545) 12.810 20.053 ( 8.089 3.816 11.879) 14.869 20.446 ( 1.468 -0.282 -0.673) 1.639 21.152 ( -0.122 0.958 -0.357) 1.029 21.196 ( -0.206 -1.237 -1.541) 1.987 22.492 ( 0.091 -0.616 -0.377) 0.728 22.674 ( -0.739 -0.117 -5.910) 5.957 26.840 ( 1.411 -1.946 4.511) 5.112 27.133 ( 0.063 -0.883 -5.050) 5.127 29.687 ( -0.026 1.388 2.467) 2.831 29.837 ( -1.616 0.356 -2.456) 2.961 49.363 ( -7.266 0.276 0.963) 7.335 49.444 ( -4.278 -0.143 -1.926) 4.694 53.506 ( 1.622 -1.786 -2.116) 3.209 53.685 ( 5.837 0.614 -6.845) 9.017 54.160 ( 6.408 -0.304 0.782) 6.463 54.264 ( 0.812 1.074 -2.638) 2.962 55.819 ( -4.794 0.310 1.520) 5.038 55.919 ( -3.931 0.448 -0.591) 4.000 ======================= Grid point 334 (103/150) ======================= q-point: ( 0.22 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 7.788 -9.400 26.279) 28.976 3.181 ( 11.271 -5.709 30.388) 32.910 4.263 ( -2.778 -0.733 -8.101) 8.595 4.524 ( 7.803 -11.245 7.406) 15.562 4.768 ( 4.296 -4.031 -7.666) 9.668 5.013 ( -0.961 2.177 4.822) 5.377 5.482 ( 1.060 1.332 2.018) 2.640 5.669 ( 6.049 -0.257 -8.653) 10.561 6.127 ( 2.274 0.676 3.306) 4.069 6.369 ( -7.116 -4.162 -3.730) 9.048 6.975 ( 0.189 13.170 -3.408) 13.606 7.022 ( 4.315 7.521 -6.411) 10.784 7.902 ( -9.584 4.894 -2.074) 10.959 7.995 ( -10.455 -4.785 -2.947) 11.870 9.365 ( 10.027 8.529 5.123) 14.125 9.456 ( 7.061 5.380 2.311) 9.173 9.790 ( -5.597 -13.632 5.074) 15.585 10.009 ( -1.678 -13.320 -2.430) 13.644 12.528 ( 20.443 3.630 9.608) 22.878 13.348 ( 2.659 -11.455 -17.547) 21.123 16.422 ( 0.180 -0.366 15.554) 15.560 17.005 ( -2.535 -0.280 -3.596) 4.409 18.933 ( -9.653 3.928 4.429) 11.324 19.267 ( -16.009 1.562 -6.024) 17.176 20.142 ( 10.342 5.805 10.912) 16.116 20.469 ( 0.216 -0.715 0.858) 1.137 21.139 ( 0.030 0.842 0.254) 0.880 21.207 ( -0.524 -1.260 -2.348) 2.716 22.506 ( 0.315 -0.959 -0.879) 1.339 22.658 ( -1.371 -0.060 -5.482) 5.652 26.905 ( 2.256 -3.054 3.776) 5.355 27.149 ( 0.034 -1.347 -4.193) 4.404 29.663 ( 0.163 2.268 2.121) 3.110 29.795 ( -2.731 0.494 -2.230) 3.560 49.206 ( -10.834 0.313 1.017) 10.887 49.349 ( -7.061 0.293 -4.148) 8.194 53.571 ( 2.593 -2.620 -1.483) 3.973 53.804 ( 9.256 0.351 -8.059) 12.278 54.238 ( 2.320 2.864 1.813) 4.107 54.326 ( 9.310 -1.267 -1.061) 9.455 55.712 ( -7.415 0.202 1.520) 7.572 55.821 ( -6.972 0.768 -0.870) 7.068 ======================= Grid point 335 (104/150) ======================= q-point: ( 0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( 8.214 -9.997 19.764) 23.623 3.462 ( 12.841 -5.926 26.758) 30.265 4.150 ( -10.494 1.134 -6.423) 12.355 4.712 ( -2.794 -0.915 -9.381) 9.831 4.843 ( 9.322 -4.794 10.810) 15.058 5.145 ( 10.972 -2.090 2.032) 11.353 5.461 ( -1.576 -0.815 5.674) 5.945 5.788 ( 5.878 -1.680 -3.003) 6.812 6.158 ( 1.133 -1.111 -2.645) 3.084 6.312 ( -6.274 -1.826 -6.605) 9.291 6.704 ( -5.249 11.748 1.572) 12.963 7.048 ( 6.472 8.644 -11.830) 16.018 7.691 ( -8.213 2.029 0.920) 8.510 7.957 ( -6.040 -6.593 -5.608) 10.554 9.416 ( 9.015 7.404 4.754) 12.597 9.487 ( 4.856 4.280 2.738) 7.028 9.881 ( -4.473 -12.437 6.126) 14.568 10.103 ( -3.554 -7.170 -1.669) 8.175 12.818 ( 20.704 4.282 10.963) 23.816 13.526 ( -0.173 -11.265 -12.266) 16.655 16.431 ( 0.215 -0.364 14.425) 14.431 16.968 ( -2.375 -0.239 -3.140) 3.944 18.749 ( -4.997 4.848 1.730) 7.174 18.994 ( -15.551 0.048 -5.747) 16.579 20.222 ( 8.790 5.584 9.749) 14.265 20.470 ( -1.580 -1.328 2.601) 3.321 21.131 ( 0.183 0.586 0.568) 0.836 21.212 ( -0.587 -0.940 -2.932) 3.135 22.527 ( 0.721 -0.992 -1.634) 2.043 22.632 ( -1.700 0.183 -4.771) 5.068 26.983 ( 2.158 -2.811 2.847) 4.546 27.166 ( -0.107 -1.133 -3.140) 3.340 29.638 ( 0.533 2.228 1.629) 2.811 29.743 ( -2.845 0.297 -1.837) 3.400 49.034 ( -9.289 0.259 0.906) 9.337 49.228 ( -6.557 0.587 -6.004) 8.910 53.647 ( 2.481 -2.269 -0.788) 3.453 53.950 ( 8.054 -0.275 -10.033) 12.869 54.225 ( 1.439 2.969 6.683) 7.453 54.512 ( 10.489 -1.068 -2.645) 10.870 55.593 ( -6.744 -0.098 1.253) 6.860 55.687 ( -7.821 0.817 -0.857) 7.910 ======================= Grid point 336 (105/150) ======================= q-point: ( 0.44 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( 4.967 -7.524 17.079) 19.312 3.712 ( 12.854 0.146 17.540) 21.746 3.931 ( -13.926 0.560 1.522) 14.021 4.640 ( -1.613 2.402 -2.476) 3.808 5.067 ( 7.212 -5.006 4.062) 9.673 5.227 ( -0.490 3.253 4.212) 5.344 5.547 ( 5.969 -5.154 5.970) 9.891 5.834 ( -2.532 0.670 1.213) 2.886 6.147 ( -0.875 2.892 -12.805) 13.157 6.271 ( -0.761 -3.389 -5.285) 6.324 6.544 ( -1.899 4.448 1.853) 5.179 7.016 ( 1.467 4.095 -13.220) 13.917 7.598 ( -2.267 0.005 2.593) 3.445 7.953 ( -2.299 -2.730 -6.678) 7.571 9.450 ( 3.555 2.991 4.393) 6.394 9.502 ( 1.865 1.703 3.029) 3.943 9.967 ( -1.008 -6.287 5.680) 8.533 10.098 ( -2.549 -0.868 0.788) 2.806 13.031 ( 9.584 2.318 11.424) 15.090 13.622 ( -1.407 -5.115 -8.003) 9.601 16.437 ( 0.099 -0.156 13.596) 13.598 16.941 ( -0.975 -0.091 -2.853) 3.016 18.663 ( 0.741 3.111 -0.844) 3.308 18.797 ( -8.546 -1.147 -5.311) 10.127 20.272 ( 3.808 2.554 8.776) 9.902 20.460 ( -1.308 -0.920 3.885) 4.201 21.128 ( 0.110 0.219 0.685) 0.728 21.214 ( -0.259 -0.353 -3.245) 3.274 22.553 ( 0.894 -0.658 -2.529) 2.762 22.602 ( -1.293 0.358 -3.893) 4.118 27.037 ( 0.952 -1.178 2.130) 2.614 27.174 ( -0.131 -0.400 -2.353) 2.391 29.624 ( 0.443 1.005 1.196) 1.623 29.705 ( -1.371 0.019 -1.449) 1.995 48.923 ( -3.614 0.102 0.760) 3.694 49.144 ( -2.657 0.298 -6.959) 7.455 53.700 ( 1.067 -0.934 -0.582) 1.532 54.045 ( 2.749 -0.257 -10.791) 11.138 54.216 ( 1.017 1.364 9.596) 9.746 54.656 ( 5.012 -0.466 -4.147) 6.522 55.515 ( -2.765 -0.112 1.011) 2.946 55.575 ( -3.994 0.397 -0.406) 4.034 ======================= Grid point 342 (106/150) ======================= q-point: ( 0.11 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 9.422 -0.000 29.128) 30.614 3.109 ( 11.505 -0.000 29.460) 31.627 4.304 ( 1.692 -0.000 -16.173) 16.261 4.307 ( 7.851 -0.000 21.220) 22.626 4.698 ( 9.276 -0.000 -7.934) 12.206 5.051 ( -4.859 0.000 3.863) 6.207 5.514 ( 2.462 -0.000 -0.868) 2.611 5.663 ( 4.780 -0.000 -10.825) 11.833 6.144 ( 2.123 -0.000 3.721) 4.284 6.293 ( -9.862 0.000 -1.111) 9.925 7.126 ( 14.159 -0.000 -6.619) 15.630 7.193 ( -5.017 0.000 -5.706) 7.597 7.920 ( -7.959 0.000 -3.343) 8.632 7.997 ( -19.764 0.000 -1.415) 19.815 9.409 ( -6.161 0.000 2.381) 6.605 9.455 ( -3.507 0.000 0.327) 3.522 9.654 ( 10.022 -0.000 7.904) 12.764 9.874 ( 13.723 -0.000 -0.193) 13.725 12.594 ( 22.256 -0.000 4.615) 22.730 13.173 ( 2.605 -0.000 -14.690) 14.920 16.419 ( 0.458 -0.000 15.779) 15.785 16.999 ( -2.698 0.000 -3.522) 4.436 18.986 ( -9.654 0.000 3.574) 10.295 19.292 ( -17.110 0.000 -6.213) 18.203 20.230 ( 10.041 -0.000 9.801) 14.031 20.454 ( -0.649 0.000 2.904) 2.976 21.155 ( -0.253 0.000 -1.430) 1.452 21.182 ( -0.405 0.000 -1.268) 1.331 22.492 ( 0.469 -0.000 -0.642) 0.795 22.658 ( -1.197 0.000 -5.667) 5.792 26.863 ( 2.871 -0.000 4.179) 5.070 27.131 ( 0.344 -0.000 -4.557) 4.570 29.696 ( -0.049 0.000 1.684) 1.685 29.800 ( -3.124 0.000 -1.754) 3.583 49.210 ( -11.026 0.000 1.133) 11.084 49.354 ( -6.568 0.000 -4.307) 7.854 53.531 ( 2.895 -0.000 -0.672) 2.971 53.815 ( 9.234 -0.000 -8.373) 12.465 54.286 ( 0.860 -0.000 -0.001) 0.860 54.299 ( 10.530 -0.000 -0.266) 10.533 55.715 ( -7.717 0.000 1.884) 7.943 55.832 ( -7.102 0.000 -0.747) 7.142 ======================= Grid point 343 (107/150) ======================= q-point: ( 0.22 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 11.475 -4.011 23.849) 26.768 3.334 ( 13.567 -2.911 25.274) 28.832 4.242 ( -3.627 5.215 -8.648) 10.730 4.515 ( 7.367 -8.611 4.112) 12.056 4.870 ( 10.074 1.966 0.384) 10.271 5.057 ( 6.207 -2.815 6.493) 9.414 5.518 ( 0.020 3.068 2.273) 3.819 5.752 ( 5.502 -0.902 -9.261) 10.810 6.133 ( -3.519 -0.069 1.112) 3.691 6.192 ( -6.187 -4.760 -2.898) 8.327 7.044 ( -5.562 9.909 -0.958) 11.404 7.304 ( 12.506 8.097 -10.214) 18.064 7.684 ( -18.312 -2.155 0.589) 18.448 7.808 ( -6.729 -3.803 -5.961) 9.761 9.294 ( -12.518 -7.260 3.375) 14.859 9.377 ( -10.428 -6.628 0.069) 12.356 9.861 ( 17.074 3.843 8.606) 19.503 10.122 ( 16.983 3.148 -1.307) 17.321 12.953 ( 23.401 5.375 2.996) 24.197 13.253 ( 1.701 -8.292 -6.924) 10.935 16.430 ( 1.042 0.143 14.671) 14.709 16.956 ( -2.853 -0.398 -2.914) 4.097 18.844 ( -5.702 1.976 -0.166) 6.037 19.000 ( -17.836 0.212 -4.918) 18.503 20.351 ( 6.322 3.855 7.870) 10.805 20.433 ( -1.610 -1.743 5.811) 6.277 21.147 ( -0.125 0.639 -1.033) 1.221 21.181 ( -0.696 -1.129 -2.237) 2.601 22.508 ( 1.102 -0.415 -1.231) 1.704 22.636 ( -1.372 0.086 -5.102) 5.284 26.926 ( 3.791 -1.195 3.420) 5.244 27.143 ( 0.676 -0.510 -3.621) 3.719 29.687 ( -0.089 1.238 0.829) 1.493 29.743 ( -3.859 -0.229 -1.025) 4.000 49.036 ( -9.686 0.012 1.243) 9.765 49.245 ( -6.193 0.452 -6.494) 8.985 53.593 ( 3.476 -1.338 0.256) 3.733 53.962 ( 8.803 0.606 -10.406) 13.644 54.284 ( -0.035 1.272 4.606) 4.779 54.480 ( 10.408 -0.894 -1.756) 10.593 55.592 ( -6.938 -0.018 1.673) 7.136 55.702 ( -8.263 0.280 -0.822) 8.309 ======================= Grid point 344 (108/150) ======================= q-point: ( 0.33 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( 11.744 -5.019 18.132) 22.179 3.600 ( 10.801 -6.159 18.231) 22.067 4.075 ( -4.092 8.827 -0.534) 9.744 4.696 ( 2.848 -3.009 -6.406) 7.629 4.965 ( 7.823 0.933 11.478) 13.922 5.293 ( 11.517 -2.832 2.185) 12.059 5.438 ( -2.205 2.363 6.739) 7.474 5.841 ( 2.697 -0.044 -4.170) 4.967 6.107 ( -2.583 -5.066 -3.685) 6.776 6.162 ( -6.040 -4.952 -9.578) 12.359 6.782 ( -6.010 13.445 3.877) 15.229 7.261 ( -0.002 11.944 -11.388) 16.503 7.523 ( -7.877 -5.430 1.214) 9.644 7.850 ( 3.030 -5.502 -8.063) 10.221 9.195 ( -16.521 -12.793 4.215) 21.316 9.302 ( -13.485 -11.080 0.165) 17.454 10.082 ( 19.718 8.066 8.545) 22.954 10.307 ( 16.376 9.610 -0.038) 18.988 13.086 ( -0.061 1.701 7.807) 7.990 13.496 ( 15.492 -3.944 -5.618) 16.945 16.447 ( 1.522 0.674 13.565) 13.667 16.925 ( -1.802 -0.895 -2.417) 3.145 18.719 ( -10.944 0.832 -2.108) 11.176 18.796 ( -1.640 1.019 -4.754) 5.131 20.305 ( -5.904 0.187 9.274) 10.995 20.480 ( 4.875 1.833 4.222) 6.704 21.136 ( -0.426 0.411 -0.311) 0.669 21.189 ( -0.339 -1.339 -2.897) 3.209 22.537 ( 1.761 -0.466 -2.061) 2.751 22.612 ( -1.212 0.315 -4.253) 4.434 27.005 ( 3.726 -1.051 2.508) 4.613 27.162 ( 0.923 -0.407 -2.612) 2.800 29.652 ( -2.443 0.972 0.691) 2.718 29.702 ( -1.153 -0.201 -0.971) 1.520 48.921 ( -4.225 -0.177 1.135) 4.379 49.160 ( -2.723 0.766 -7.461) 7.980 53.666 ( 2.948 -1.343 0.459) 3.272 54.063 ( 4.835 1.254 -11.217) 12.279 54.249 ( -2.481 1.017 8.316) 8.737 54.628 ( 4.942 -1.382 -3.529) 6.228 55.513 ( -2.383 0.002 1.086) 2.619 55.583 ( -5.067 0.188 -0.457) 5.091 ======================= Grid point 345 (109/150) ======================= q-point: ( 0.44 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( 7.824 -2.584 17.081) 18.964 3.733 ( -6.002 -1.804 3.610) 7.233 3.991 ( 12.524 7.602 13.158) 19.692 4.693 ( 0.936 4.639 -1.533) 4.974 5.095 ( 1.944 -5.410 6.490) 8.670 5.235 ( -4.195 7.696 2.538) 9.125 5.578 ( 4.438 -3.639 7.268) 9.260 5.824 ( 0.946 1.047 -2.618) 2.975 6.108 ( -5.978 -1.365 -9.809) 11.568 6.212 ( 3.506 -7.536 -9.635) 12.725 6.546 ( -6.277 6.088 4.549) 9.857 7.089 ( -3.236 8.026 -12.268) 15.013 7.529 ( -0.975 -5.111 4.127) 6.641 7.990 ( 8.223 -0.437 -9.438) 12.525 9.098 ( -18.937 -15.994 5.169) 25.321 9.237 ( -14.885 -13.672 0.169) 20.212 10.265 ( 18.561 12.113 7.448) 23.382 10.405 ( 16.414 14.748 2.057) 22.162 12.970 ( -13.672 -2.108 15.005) 20.409 13.746 ( 13.793 3.925 -10.172) 17.581 16.458 ( 1.524 1.368 13.092) 13.252 16.925 ( 0.039 -1.253 -2.245) 2.572 18.583 ( -5.880 -2.589 0.706) 6.464 18.840 ( 8.298 1.734 -7.111) 11.065 20.194 ( -9.637 -2.760 11.020) 14.897 20.515 ( 3.096 2.644 1.292) 4.272 21.124 ( -0.647 -0.026 0.409) 0.766 21.204 ( 0.186 -1.037 -2.961) 3.143 22.567 ( 0.952 0.333 -2.767) 2.945 22.597 ( 0.459 0.010 -3.493) 3.523 27.061 ( 2.413 0.581 1.906) 3.129 27.181 ( 1.197 0.143 -2.034) 2.364 29.602 ( -3.021 -0.645 1.504) 3.436 29.703 ( 0.825 -0.083 -1.793) 1.976 48.915 ( 2.958 -0.463 0.948) 3.140 49.149 ( 2.498 0.575 -7.214) 7.655 53.710 ( 1.062 -0.042 -0.105) 1.068 54.080 ( -0.068 2.159 -10.996) 11.207 54.182 ( -5.269 -1.086 9.949) 11.310 54.646 ( -4.992 -1.165 -4.426) 6.772 55.519 ( 3.132 0.224 0.681) 3.213 55.564 ( 2.710 -0.440 -0.260) 2.758 ======================= Grid point 346 (110/150) ======================= q-point: (-0.44 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( -8.610 5.202 12.831) 16.304 3.641 ( 0.626 8.690 21.255) 22.971 4.164 ( 13.053 1.813 1.444) 13.257 4.684 ( 3.757 0.664 2.056) 4.334 5.050 ( -5.128 8.782 -0.328) 10.175 5.119 ( -6.984 -3.985 1.259) 8.139 5.556 ( -0.814 4.448 4.301) 6.241 5.849 ( -3.405 2.802 2.308) 4.977 6.088 ( 0.278 -6.218 -7.729) 9.924 6.310 ( 1.185 0.455 -5.475) 5.620 6.488 ( 0.718 -6.798 0.189) 6.839 6.958 ( -4.267 2.735 -13.199) 14.139 7.611 ( 3.471 -3.986 5.562) 7.673 8.107 ( 9.101 4.135 -9.221) 13.600 9.019 ( -18.391 -17.826 6.096) 26.328 9.190 ( -14.347 -15.037 0.203) 20.784 10.324 ( 13.135 17.462 7.005) 22.946 10.472 ( 17.038 16.351 1.572) 23.667 12.728 ( -19.477 -2.650 19.060) 27.380 13.813 ( 5.977 9.903 -16.381) 20.053 16.458 ( 1.058 1.775 13.581) 13.737 16.956 ( 1.662 -1.192 -2.545) 3.264 18.612 ( 2.998 -5.091 4.157) 7.224 19.002 ( 13.207 0.595 -7.658) 15.279 20.075 ( -11.589 -5.234 12.271) 17.671 20.513 ( 0.538 1.885 -1.446) 2.436 21.117 ( -0.589 -0.416 1.128) 1.339 21.220 ( 0.528 -0.435 -2.858) 2.938 22.556 ( -0.288 1.102 -2.034) 2.331 22.628 ( 2.194 -0.173 -4.177) 4.721 27.061 ( 0.511 2.866 2.080) 3.578 27.195 ( 1.296 0.958 -2.325) 2.829 29.578 ( -2.122 -2.123 2.346) 3.810 29.729 ( 1.738 -0.665 -2.596) 3.194 49.021 ( 8.791 -0.668 0.887) 8.861 49.222 ( 6.849 0.172 -6.022) 9.122 53.696 ( -1.624 1.400 -0.815) 2.294 53.989 ( -7.035 2.336 -10.069) 12.504 54.142 ( -2.830 -2.897 8.575) 9.483 54.521 ( -10.664 -0.477 -3.513) 11.238 55.597 ( 6.484 0.216 0.536) 6.510 55.661 ( 7.094 -1.079 -0.755) 7.215 ======================= Grid point 347 (111/150) ======================= q-point: (-0.33 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( -6.148 9.849 20.220) 23.316 3.434 ( -6.050 13.552 27.761) 31.479 4.308 ( 6.866 2.078 -7.591) 10.444 4.788 ( 3.780 -1.330 8.134) 9.068 4.844 ( -0.822 10.219 -10.424) 14.621 5.010 ( -7.097 1.618 2.732) 7.775 5.500 ( -0.345 3.129 3.747) 4.894 5.687 ( -9.397 1.769 -3.205) 10.085 6.110 ( -3.921 -1.237 2.426) 4.774 6.402 ( 6.089 -3.553 -4.037) 8.124 6.644 ( 4.370 -8.969 -1.674) 10.116 6.872 ( -5.902 -2.079 -11.553) 13.139 7.749 ( 6.013 -5.462 3.799) 8.968 8.172 ( 8.134 6.842 -7.778) 13.171 8.985 ( -14.917 -17.897 6.771) 24.263 9.174 ( -11.962 -14.530 0.506) 18.827 10.253 ( 9.041 19.597 7.065) 22.709 10.483 ( 12.620 19.120 -1.380) 22.951 12.446 ( -18.435 -2.324 19.278) 26.774 13.695 ( -0.265 13.691 -21.894) 25.824 16.447 ( 0.525 1.683 14.684) 14.789 17.002 ( 2.140 -0.754 -3.192) 3.916 18.793 ( 9.310 -6.142 6.683) 13.003 19.229 ( 13.910 -1.074 -6.716) 15.484 19.964 ( -12.048 -7.070 13.181) 19.207 20.487 ( -1.455 0.741 -3.495) 3.858 21.117 ( -0.389 -0.759 1.545) 1.765 21.231 ( 0.576 0.305 -2.703) 2.780 22.537 ( -0.065 1.288 -1.229) 1.782 22.661 ( 1.807 0.137 -4.981) 5.300 27.009 ( -0.647 4.445 2.827) 5.308 27.194 ( 0.799 1.831 -3.225) 3.794 29.589 ( -1.017 -3.122 2.926) 4.398 29.772 ( 1.923 -1.186 -3.111) 3.845 49.193 ( 10.528 -0.705 0.990) 10.598 49.345 ( 7.922 0.078 -4.210) 8.971 53.634 ( -3.047 1.688 -1.738) 3.893 53.826 ( -8.626 2.097 -8.372) 12.202 54.149 ( -1.994 -3.439 4.653) 6.120 54.350 ( -9.763 0.309 -1.877) 9.946 55.707 ( 6.768 -0.154 0.615) 6.797 55.793 ( 6.636 -1.342 -1.044) 6.850 ======================= Grid point 348 (112/150) ======================= q-point: (-0.22 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -3.160 12.103 26.323) 29.144 3.154 ( -6.029 11.846 31.251) 33.960 4.325 ( 0.595 3.460 -10.341) 10.920 4.603 ( -2.663 14.218 9.361) 17.230 4.800 ( -2.986 8.412 -6.657) 11.135 5.039 ( 7.631 -5.185 0.176) 9.228 5.444 ( -3.279 1.243 1.452) 3.795 5.561 ( -5.579 -2.021 -8.470) 10.342 6.069 ( -2.600 -1.382 5.957) 6.646 6.517 ( 6.740 0.838 -4.013) 7.889 6.754 ( -7.258 -4.805 -5.565) 10.331 6.915 ( 2.932 -12.476 -3.150) 13.198 7.933 ( 4.934 -7.538 0.774) 9.043 8.202 ( 6.370 5.432 -5.538) 10.037 9.015 ( -8.978 -15.956 7.039) 19.615 9.189 ( -7.635 -11.841 1.230) 14.142 10.108 ( 4.665 18.794 6.013) 20.276 10.359 ( 6.017 22.342 -3.426) 23.390 12.229 ( -11.309 -2.157 16.569) 20.176 13.481 ( -1.964 14.541 -25.028) 29.012 16.433 ( 0.161 1.234 15.790) 15.839 17.039 ( 1.423 -0.245 -3.825) 4.088 19.031 ( 9.155 -5.268 7.525) 12.969 19.451 ( 9.721 -2.588 -5.722) 11.573 19.886 ( -9.330 -7.965 13.818) 18.478 20.452 ( -1.890 0.095 -4.433) 4.820 21.124 ( -0.148 -1.031 1.439) 1.777 21.230 ( 0.340 0.985 -2.451) 2.663 22.520 ( 0.029 1.320 -0.700) 1.494 22.680 ( 0.939 0.324 -5.553) 5.641 26.934 ( -0.797 4.778 3.682) 6.085 27.175 ( 0.256 2.134 -4.218) 4.734 29.622 ( -0.266 -3.285 3.142) 4.554 29.816 ( 1.295 -1.260 -3.239) 3.709 49.350 ( 7.018 -0.656 1.117) 7.137 49.452 ( 5.095 0.395 -2.305) 5.607 53.567 ( -2.056 1.742 -2.974) 4.013 53.682 ( -5.681 1.336 -7.085) 9.179 54.146 ( -3.792 -1.907 1.655) 4.556 54.235 ( -3.234 -0.464 -1.084) 3.442 55.805 ( 4.373 -0.598 0.804) 4.486 55.896 ( 3.817 -1.252 -0.912) 4.119 ======================= Grid point 349 (113/150) ======================= q-point: (-0.11 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 0.000 11.713 30.043) 32.246 2.983 ( 0.000 6.365 33.214) 33.819 4.277 ( 0.000 3.268 -12.953) 13.359 4.381 ( 0.000 14.355 23.257) 27.330 4.662 ( 0.000 7.473 -12.374) 14.456 5.196 ( -0.000 -5.291 -3.090) 6.127 5.387 ( 0.000 0.513 -0.383) 0.640 5.551 ( -0.000 -2.171 -10.302) 10.528 6.065 ( -0.000 -1.183 6.527) 6.633 6.589 ( 0.000 2.617 -10.024) 10.360 6.709 ( -0.000 -5.445 3.005) 6.220 7.119 ( -0.000 -12.161 -4.766) 13.061 8.047 ( -0.000 -2.464 -0.993) 2.656 8.256 ( -0.000 -4.831 -4.336) 6.491 9.126 ( -0.000 -12.155 6.821) 13.938 9.253 ( -0.000 -7.787 2.391) 8.146 9.915 ( 0.000 15.721 4.269) 16.290 10.102 ( 0.000 22.444 -2.658) 22.601 12.163 ( -0.000 -2.289 12.360) 12.571 13.281 ( 0.000 12.223 -24.962) 27.794 16.421 ( 0.000 0.674 16.444) 16.458 17.051 ( 0.000 0.102 -4.130) 4.132 19.172 ( -0.000 -3.460 7.180) 7.970 19.574 ( -0.000 -2.948 -5.879) 6.577 19.905 ( -0.000 -7.054 13.572) 15.295 20.433 ( 0.000 0.134 -3.529) 3.532 21.138 ( -0.000 -1.143 0.780) 1.384 21.216 ( 0.000 1.386 -2.061) 2.483 22.503 ( 0.000 1.116 -0.421) 1.193 22.683 ( 0.000 0.293 -5.863) 5.870 26.868 ( 0.000 3.802 4.318) 5.754 27.151 ( 0.000 1.731 -4.916) 5.212 29.661 ( -0.000 -2.611 2.980) 3.963 29.842 ( -0.000 -0.895 -2.990) 3.121 49.417 ( -0.000 -0.603 1.081) 1.238 49.487 ( 0.000 0.582 -1.213) 1.345 53.523 ( 0.000 2.541 -3.332) 4.191 53.628 ( -0.000 -0.372 -6.312) 6.323 54.112 ( 0.000 0.277 1.262) 1.292 54.237 ( -0.000 -1.826 -2.551) 3.137 55.851 ( -0.000 -0.667 1.071) 1.262 55.942 ( -0.000 -0.913 -0.658) 1.126 ======================= Grid point 352 (114/150) ======================= q-point: ( 0.22 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 14.330 -0.000 18.287) 23.232 3.506 ( 9.327 -0.000 17.624) 19.939 4.255 ( 0.267 -0.000 -5.359) 5.366 4.564 ( 6.302 -0.000 3.974) 7.450 5.097 ( 2.937 -0.000 11.453) 11.824 5.125 ( 15.830 -0.000 2.127) 15.972 5.562 ( 1.713 -0.000 1.836) 2.511 5.824 ( 3.931 -0.000 -7.281) 8.275 6.005 ( -7.051 0.000 -4.485) 8.357 6.080 ( -6.579 0.000 -3.676) 7.536 7.075 ( -0.577 0.000 2.487) 2.554 7.314 ( -20.306 0.000 3.184) 20.554 7.628 ( 0.739 0.000 -10.138) 10.165 7.628 ( 5.118 -0.000 -11.110) 12.232 9.002 ( -16.276 0.000 4.299) 16.834 9.137 ( -13.145 0.000 -0.696) 13.163 10.200 ( 20.520 -0.000 9.299) 22.529 10.446 ( 18.654 -0.000 -0.245) 18.655 13.111 ( -8.270 0.000 6.098) 10.276 13.439 ( 26.552 -0.000 -4.394) 26.913 16.458 ( 2.203 -0.000 13.424) 13.604 16.910 ( -2.254 0.000 -1.997) 3.011 18.726 ( -15.239 0.000 -2.314) 15.413 18.816 ( 0.750 -0.000 -5.071) 5.126 20.305 ( -8.742 0.000 10.271) 13.487 20.511 ( 6.294 -0.000 3.699) 7.300 21.154 ( 0.059 -0.000 -1.720) 1.721 21.156 ( -1.073 0.000 -1.936) 2.213 22.531 ( 2.064 -0.000 -1.821) 2.753 22.617 ( -1.119 0.000 -4.379) 4.519 26.990 ( 4.780 -0.000 2.703) 5.492 27.156 ( 1.360 -0.000 -2.708) 3.030 29.668 ( -4.791 0.000 0.323) 4.802 29.697 ( 0.170 -0.000 -0.625) 0.648 48.918 ( -4.448 0.000 1.410) 4.666 49.173 ( -2.776 0.000 -7.852) 8.329 53.645 ( 3.862 -0.000 1.240) 4.056 54.085 ( 5.540 -0.000 -11.663) 12.911 54.263 ( -3.847 0.000 7.601) 8.519 54.605 ( 4.826 -0.000 -3.086) 5.728 55.514 ( -2.189 0.000 1.044) 2.426 55.585 ( -5.487 0.000 -0.442) 5.505 ======================= Grid point 353 (115/150) ======================= q-point: ( 0.33 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( 13.906 -0.303 13.499) 19.383 3.620 ( 2.784 -3.793 8.876) 10.046 4.262 ( 9.172 9.559 6.331) 14.683 4.687 ( 2.537 -5.649 -1.584) 6.391 5.050 ( -3.869 3.017 15.352) 16.117 5.425 ( 12.968 -5.781 4.561) 14.913 5.506 ( 0.608 10.997 0.543) 11.027 5.878 ( 0.128 -0.212 -4.885) 4.891 5.943 ( -5.159 -5.888 -4.748) 9.156 6.035 ( -0.883 -5.606 -11.971) 13.248 6.842 ( -11.062 14.134 5.199) 18.686 7.203 ( -5.975 -7.375 1.808) 9.663 7.445 ( -4.156 4.342 -6.259) 8.678 7.911 ( 12.592 -4.614 -13.915) 19.326 8.773 ( -18.073 -6.919 5.227) 20.046 8.958 ( -13.972 -5.829 -1.491) 15.213 10.502 ( 20.564 4.924 9.582) 23.215 10.697 ( 17.218 6.086 1.906) 18.361 12.929 ( -14.646 -0.872 17.178) 22.590 13.818 ( 20.198 1.419 -11.408) 23.241 16.495 ( 2.998 1.035 12.365) 12.765 16.889 ( -0.992 -1.016 -1.123) 1.811 18.536 ( -8.284 -0.899 1.499) 8.467 18.875 ( 7.212 0.785 -8.670) 11.305 20.142 ( -11.827 -1.013 13.033) 17.628 20.573 ( 2.507 1.347 -0.627) 2.914 21.132 ( -0.646 0.727 -0.866) 1.302 21.167 ( -0.078 -1.489 -2.045) 2.531 22.571 ( 2.668 0.013 -2.596) 3.722 22.601 ( -0.612 0.146 -3.412) 3.470 27.069 ( 4.716 0.108 1.882) 5.078 27.183 ( 1.816 0.005 -1.816) 2.568 29.591 ( -4.605 -0.206 1.615) 4.884 29.701 ( 0.340 -0.035 -1.968) 1.997 48.904 ( 2.619 -0.246 1.372) 2.967 49.164 ( 2.230 0.409 -7.784) 8.108 53.706 ( 3.035 -0.162 1.152) 3.251 54.135 ( 1.858 1.411 -10.458) 10.716 54.162 ( -8.535 -0.359 8.393) 11.976 54.611 ( -5.167 -1.050 -4.282) 6.792 55.525 ( 3.459 0.188 0.262) 3.474 55.554 ( 1.753 -0.256 -0.063) 1.773 ======================= Grid point 354 (116/150) ======================= q-point: ( 0.44 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( -1.557 0.415 11.126) 11.242 3.798 ( 11.805 2.214 8.856) 14.923 4.303 ( 10.928 9.079 9.240) 16.948 4.734 ( -1.660 0.882 4.947) 5.292 4.955 ( -7.928 -6.535 6.211) 12.005 5.331 ( -1.553 12.343 -1.444) 12.524 5.630 ( 5.643 0.913 2.868) 6.396 5.882 ( 2.692 -0.269 -2.955) 4.007 5.949 ( -4.961 -5.256 -6.679) 9.841 6.179 ( 5.388 -8.869 -10.140) 14.509 6.510 ( -10.010 8.578 5.375) 14.236 7.106 ( -5.896 5.357 -9.984) 12.773 7.468 ( 3.179 -6.024 6.955) 9.735 8.143 ( 10.654 -1.702 -13.511) 17.290 8.604 ( -17.916 -11.856 5.981) 22.301 8.837 ( -13.796 -9.630 -2.223) 16.971 10.709 ( 16.864 10.599 9.232) 21.954 10.846 ( 15.774 10.765 3.791) 19.470 12.675 ( -18.174 -1.349 24.994) 30.933 14.024 ( 10.914 5.684 -18.833) 22.497 16.519 ( 2.631 2.506 12.162) 12.694 16.908 ( 0.584 -2.197 -0.824) 2.418 18.501 ( 0.968 -3.001 5.797) 6.599 19.020 ( 11.569 0.670 -9.898) 15.240 19.962 ( -13.625 -3.053 14.741) 20.304 20.562 ( -1.012 1.626 -4.748) 5.120 21.115 ( -0.514 0.442 0.449) 0.813 21.191 ( 0.316 -1.660 -2.180) 2.758 22.582 ( -0.090 0.804 -2.277) 2.417 22.623 ( 2.706 -0.167 -3.552) 4.468 27.124 ( 3.250 1.768 1.445) 3.972 27.213 ( 2.112 0.338 -1.462) 2.591 29.532 ( -3.654 -1.253 2.773) 4.755 29.713 ( 0.716 -0.500 -3.102) 3.223 49.003 ( 8.568 -0.560 1.258) 8.678 49.232 ( 6.705 0.465 -6.583) 9.408 53.729 ( 0.102 1.168 0.154) 1.182 54.015 ( -10.368 -1.246 1.554) 10.557 54.120 ( -0.543 1.814 -2.584) 3.204 54.489 ( -10.973 -1.692 -4.029) 11.811 55.604 ( 6.295 0.297 -0.178) 6.305 55.635 ( 6.390 -0.855 -0.532) 6.469 ======================= Grid point 355 (117/150) ======================= q-point: (-0.44 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( -0.876 6.220 15.869) 17.067 3.807 ( 0.667 12.877 18.267) 22.359 4.371 ( 7.193 3.538 0.038) 8.016 4.707 ( -0.393 -3.636 10.400) 11.025 4.952 ( -3.792 -4.296 -8.008) 9.847 5.161 ( 1.217 11.163 -2.512) 11.507 5.627 ( 1.176 5.875 1.650) 6.214 5.770 ( -10.827 2.797 -3.042) 11.589 6.041 ( 2.422 -2.955 3.715) 5.329 6.327 ( -0.658 0.769 -3.172) 3.329 6.408 ( 4.037 -9.944 -3.909) 11.422 6.942 ( -4.936 5.406 -12.719) 14.675 7.616 ( 4.827 -5.177 9.305) 11.691 8.289 ( 6.221 0.032 -10.144) 11.900 8.528 ( -12.740 -13.991 4.644) 19.484 8.776 ( -12.053 -13.345 -2.275) 18.126 10.748 ( 10.622 16.519 9.417) 21.781 10.927 ( 13.445 13.546 2.842) 19.296 12.403 ( -16.773 -1.084 28.335) 32.945 14.025 ( 3.039 10.492 -25.011) 27.292 16.513 ( 1.531 3.225 12.983) 13.464 16.959 ( 1.501 -2.507 -1.423) 3.250 18.638 ( 8.542 -5.134 8.961) 13.403 19.214 ( 12.269 -0.144 -8.752) 15.071 19.793 ( -13.965 -5.442 15.689) 21.698 20.510 ( -2.970 0.956 -7.779) 8.382 21.104 ( -0.458 -0.011 1.512) 1.580 21.218 ( 0.513 -1.254 -2.397) 2.753 22.569 ( 0.041 1.052 -1.387) 1.741 22.665 ( 2.315 0.154 -4.359) 4.938 27.123 ( 1.347 3.870 1.769) 4.463 27.236 ( 1.788 1.185 -1.964) 2.908 29.510 ( -2.216 -2.595 3.596) 4.957 29.738 ( 0.991 -1.244 -3.864) 4.179 49.173 ( 10.539 -0.713 1.251) 10.637 49.352 ( 8.231 0.387 -4.766) 9.519 53.673 ( -4.082 1.695 -0.475) 4.445 53.870 ( -8.600 0.006 -5.296) 10.100 54.092 ( -0.992 -0.049 2.695) 2.872 54.336 ( -9.715 -1.346 -2.562) 10.137 55.706 ( 6.187 0.045 -0.390) 6.199 55.756 ( 6.235 -1.347 -1.042) 6.464 ======================= Grid point 356 (118/150) ======================= q-point: (-0.33 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 0.667 11.985 22.274) 25.302 3.553 ( -5.276 16.021 24.090) 29.408 4.404 ( 1.488 2.267 -3.114) 4.129 4.786 ( -0.498 -3.196 -3.603) 4.842 4.942 ( 3.310 0.256 -10.187) 10.714 5.087 ( 4.936 11.263 8.317) 14.845 5.507 ( -7.563 2.592 -3.228) 8.622 5.574 ( -4.756 5.205 -1.753) 7.265 6.038 ( -2.579 -0.401 9.419) 9.773 6.413 ( 3.640 -6.509 -1.649) 7.638 6.600 ( 3.938 -8.503 -5.076) 10.657 6.806 ( -4.143 4.182 -12.687) 13.986 7.752 ( 3.439 -5.446 7.600) 9.962 8.364 ( 5.488 3.492 -9.012) 11.115 8.547 ( -9.225 -16.469 5.974) 19.800 8.813 ( -7.178 -15.507 -1.487) 17.153 10.633 ( 5.233 19.639 9.404) 22.395 10.896 ( 7.462 17.246 -0.233) 18.792 12.191 ( -10.268 -0.800 27.338) 29.214 13.874 ( -0.458 14.149 -28.487) 31.810 16.488 ( 0.581 2.981 14.247) 14.567 17.012 ( 1.170 -1.940 -2.503) 3.376 18.873 ( 9.812 -6.069 9.803) 15.140 19.397 ( 8.583 -1.381 -6.464) 10.833 19.671 ( -11.212 -7.671 16.229) 21.165 20.454 ( -2.628 0.143 -9.279) 9.645 21.102 ( -0.279 -0.528 2.093) 2.176 21.237 ( 0.357 -0.514 -2.572) 2.647 22.555 ( 0.099 1.263 -0.836) 1.518 22.690 ( 1.235 0.413 -4.985) 5.153 27.072 ( 0.192 5.310 2.476) 5.863 27.235 ( 0.801 2.140 -2.859) 3.660 29.528 ( -0.849 -3.601 3.939) 5.404 29.774 ( 0.808 -1.777 -4.145) 4.582 49.331 ( 7.124 -0.673 1.369) 7.286 49.464 ( 5.595 0.468 -2.996) 6.364 53.587 ( -3.884 0.490 -1.620) 4.237 53.744 ( -4.965 1.980 -8.014) 9.634 54.088 ( -1.140 -1.504 3.342) 3.838 54.228 ( -4.920 -0.531 -1.039) 5.056 55.791 ( 3.863 -0.401 -0.288) 3.895 55.857 ( 3.643 -1.605 -1.193) 4.156 ======================= Grid point 357 (119/150) ======================= q-point: (-0.22 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 0.000 13.579 29.313) 32.306 3.288 ( 0.000 15.505 24.290) 28.817 4.374 ( 0.000 3.377 -6.146) 7.013 4.742 ( 0.000 6.955 -12.901) 14.657 4.927 ( 0.000 14.817 15.135) 21.180 5.049 ( -0.000 -5.108 -4.032) 6.507 5.453 ( 0.000 5.343 1.004) 5.437 5.462 ( -0.000 -4.012 -9.846) 10.632 6.026 ( -0.000 -1.363 8.809) 8.914 6.542 ( -0.000 -7.078 0.993) 7.148 6.694 ( 0.000 5.137 -12.407) 13.429 6.774 ( -0.000 -11.586 -3.144) 12.005 7.870 ( -0.000 -7.601 4.261) 8.713 8.337 ( 0.000 6.849 -8.586) 10.983 8.707 ( -0.000 -18.669 8.022) 20.320 8.951 ( -0.000 -14.270 -0.231) 14.272 10.408 ( 0.000 20.359 8.133) 21.923 10.703 ( 0.000 20.925 -2.863) 21.120 12.116 ( -0.000 -1.095 22.949) 22.975 13.667 ( 0.000 15.604 -28.624) 32.601 16.458 ( 0.000 2.199 15.308) 15.465 17.042 ( -0.000 -1.058 -3.434) 3.593 19.045 ( -0.000 -5.727 8.876) 10.563 19.499 ( -0.000 -2.331 -5.545) 6.015 19.680 ( -0.000 -9.124 16.371) 18.741 20.432 ( -0.000 -0.157 -8.332) 8.333 21.109 ( -0.000 -0.919 2.084) 2.278 21.241 ( 0.000 0.315 -2.571) 2.590 22.538 ( 0.000 1.386 -0.651) 1.532 22.694 ( 0.000 0.485 -5.381) 5.403 26.999 ( 0.000 5.653 3.194) 6.493 27.209 ( 0.000 2.486 -3.708) 4.465 29.572 ( -0.000 -3.832 3.774) 5.378 29.805 ( -0.000 -1.775 -3.918) 4.301 49.400 ( -0.000 -0.648 1.396) 1.539 49.504 ( 0.000 0.615 -2.008) 2.100 53.553 ( -0.000 -0.110 -2.762) 2.764 53.670 ( 0.000 2.917 -7.929) 8.449 54.094 ( -0.000 -1.447 2.485) 2.876 54.199 ( -0.000 -0.813 -0.732) 1.094 55.832 ( -0.000 -0.710 0.119) 0.720 55.909 ( -0.000 -1.565 -1.069) 1.896 ======================= Grid point 362 (120/150) ======================= q-point: ( 0.33 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( 0.909 -0.000 10.255) 10.295 3.819 ( 17.539 -0.000 7.647) 19.134 4.527 ( 12.318 -0.000 5.918) 13.666 4.637 ( -1.919 0.000 0.325) 1.946 4.893 ( -15.691 0.000 18.109) 23.961 5.608 ( 10.401 -0.000 4.012) 11.148 5.642 ( 1.551 -0.000 0.671) 1.690 5.736 ( -3.817 0.000 -11.006) 11.649 5.936 ( 1.339 -0.000 -8.005) 8.117 6.012 ( 3.882 -0.000 -6.968) 7.977 6.711 ( -15.547 0.000 4.202) 16.105 7.106 ( -1.213 0.000 2.102) 2.426 7.413 ( -1.058 0.000 -1.566) 1.890 8.086 ( 11.218 -0.000 -15.843) 19.412 8.442 ( -17.471 0.000 6.170) 18.529 8.717 ( -10.991 0.000 -3.722) 11.604 10.853 ( 18.303 -0.000 10.309) 21.007 10.995 ( 14.525 -0.000 4.336) 15.158 12.657 ( -17.600 0.000 27.167) 32.370 14.101 ( 12.826 -0.000 -19.630) 23.449 16.561 ( 3.765 -0.000 11.282) 11.894 16.870 ( -0.357 0.000 0.313) 0.475 18.461 ( 0.134 -0.000 6.316) 6.317 19.030 ( 10.987 -0.000 -10.932) 15.499 19.921 ( -14.411 0.000 15.822) 21.401 20.586 ( -1.770 0.000 -6.006) 6.262 21.140 ( 0.363 -0.000 -0.986) 1.051 21.148 ( -0.487 0.000 -0.869) 0.996 22.594 ( -0.286 0.000 -2.374) 2.391 22.620 ( 3.161 -0.000 -3.265) 4.544 27.149 ( 4.658 -0.000 1.158) 4.799 27.216 ( 2.150 -0.000 -1.038) 2.388 29.515 ( -4.282 0.000 2.906) 5.175 29.706 ( 0.292 -0.000 -3.280) 3.293 48.995 ( 8.528 -0.000 1.471) 8.654 49.240 ( 6.544 -0.000 -6.897) 9.508 53.748 ( 1.841 -0.000 0.667) 1.958 53.987 ( -11.987 0.000 6.445) 13.610 54.159 ( 0.016 -0.000 -7.629) 7.629 54.459 ( -11.464 0.000 -4.018) 12.148 55.611 ( 6.299 -0.000 -0.684) 6.336 55.620 ( 6.023 -0.000 -0.211) 6.027 ======================= Grid point 363 (121/150) ======================= q-point: (-0.56 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( 3.851 1.334 14.311) 14.880 4.060 ( 13.169 5.665 7.404) 16.135 4.522 ( 0.984 6.781 2.743) 7.381 4.609 ( -13.997 -2.958 17.884) 22.902 4.782 ( 2.774 -6.902 -3.326) 8.148 5.466 ( -3.102 10.726 -6.482) 12.910 5.725 ( -3.605 -4.892 -2.153) 6.447 5.800 ( 5.793 5.515 -1.936) 8.229 5.996 ( 6.707 -0.780 -2.882) 7.342 6.143 ( 4.475 -8.510 -3.742) 10.317 6.451 ( -9.492 6.039 1.735) 11.383 7.045 ( -6.001 0.773 -7.502) 9.638 7.480 ( 6.003 -3.425 8.963) 11.318 8.180 ( -10.377 -2.667 1.468) 10.814 8.271 ( -1.363 -7.660 -7.227) 10.619 8.598 ( -5.138 -1.122 -7.848) 9.447 11.068 ( 12.933 6.729 10.456) 17.940 11.169 ( 11.312 4.518 6.088) 13.618 12.385 ( -15.760 -0.321 33.703) 37.207 14.220 ( 5.275 3.889 -26.549) 27.346 16.600 ( 2.841 2.560 11.017) 11.662 16.885 ( 0.432 -2.307 0.964) 2.538 18.542 ( 7.927 -1.912 10.182) 13.045 19.215 ( 11.489 0.103 -10.698) 15.699 19.692 ( -15.218 -2.027 17.591) 23.348 20.531 ( -4.148 0.462 -10.267) 11.082 21.122 ( -0.255 1.321 0.260) 1.371 21.171 ( 0.402 -2.005 -1.392) 2.474 22.589 ( 0.007 0.411 -1.423) 1.481 22.668 ( 2.685 0.066 -3.931) 4.761 27.202 ( 3.082 1.920 0.828) 3.724 27.251 ( 2.137 -0.045 -0.791) 2.279 29.461 ( -3.094 -0.999 3.948) 5.114 29.713 ( 0.330 -0.524 -4.286) 4.330 49.159 ( 10.684 -0.287 1.502) 10.793 49.361 ( 8.137 0.206 -5.263) 9.693 53.731 ( -3.657 2.553 0.199) 4.465 53.821 ( -8.853 -2.805 1.760) 9.453 54.136 ( -1.011 2.083 -3.880) 4.518 54.289 ( -9.815 -1.766 -2.655) 10.320 55.710 ( 5.868 0.239 -1.116) 5.978 55.727 ( 5.962 -0.745 -0.859) 6.069 ======================= Grid point 364 (122/150) ======================= q-point: (-0.44 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 6.213 6.281 18.802) 20.774 3.960 ( -5.545 14.587 18.655) 24.321 4.462 ( -1.101 2.425 2.871) 3.916 4.611 ( 2.273 -8.643 2.003) 9.158 4.889 ( 0.813 -3.940 -6.316) 7.488 5.329 ( 1.782 6.420 -10.007) 12.022 5.630 ( -8.278 4.819 0.840) 9.615 5.763 ( 2.554 8.668 -1.517) 9.163 6.077 ( 1.668 2.675 11.001) 11.443 6.279 ( -1.617 -4.100 -0.165) 4.411 6.378 ( 4.397 -6.738 -10.626) 13.328 6.930 ( -3.997 3.510 -11.413) 12.591 7.635 ( 5.237 -3.923 12.232) 13.872 8.078 ( -10.012 -11.516 7.082) 16.822 8.386 ( -1.415 -11.333 -7.013) 13.402 8.558 ( -0.558 1.613 -12.130) 12.250 11.082 ( 5.957 13.315 10.909) 18.215 11.239 ( 7.032 8.258 5.098) 11.984 12.180 ( -9.506 -0.181 35.777) 37.019 14.183 ( 0.961 8.508 -30.625) 31.799 16.586 ( 1.173 4.079 11.886) 12.621 16.937 ( 0.732 -3.470 0.260) 3.556 18.738 ( 10.302 -3.765 11.542) 15.922 19.376 ( 7.619 -0.305 -7.972) 11.032 19.504 ( -12.474 -4.611 18.044) 22.416 20.460 ( -3.462 0.215 -12.869) 13.328 21.103 ( -0.252 0.733 1.264) 1.483 21.204 ( 0.335 -1.841 -2.017) 2.751 22.582 ( 0.089 0.751 -0.794) 1.096 22.700 ( 1.494 0.298 -4.478) 4.730 27.196 ( 1.163 3.831 1.259) 4.197 27.276 ( 1.313 0.809 -1.378) 2.069 29.446 ( -1.463 -2.330 4.517) 5.289 29.731 ( 0.333 -1.292 -4.800) 4.982 49.316 ( 7.389 -0.406 1.568) 7.565 49.474 ( 5.667 0.310 -3.624) 6.734 53.612 ( -5.227 1.384 0.404) 5.422 53.750 ( -4.686 -1.295 -4.817) 6.844 54.092 ( -0.689 1.596 0.329) 1.770 54.200 ( -4.434 -1.546 -1.404) 4.901 55.785 ( 3.506 -0.037 -1.235) 3.717 55.818 ( 3.492 -1.222 -1.241) 3.902 ======================= Grid point 365 (123/150) ======================= q-point: (-0.33 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.651 ( 0.000 10.804 21.751) 24.286 3.656 ( 0.000 15.939 21.877) 27.067 4.432 ( 0.000 1.225 2.753) 3.013 4.734 ( -0.000 -5.139 -8.378) 9.829 4.937 ( -0.000 -3.604 -6.516) 7.446 5.365 ( 0.000 15.764 11.563) 19.550 5.375 ( -0.000 -2.232 -14.346) 14.518 5.660 ( 0.000 9.215 -2.052) 9.440 6.032 ( 0.000 2.596 14.008) 14.246 6.352 ( -0.000 -6.605 -2.921) 7.222 6.526 ( -0.000 -8.180 -7.464) 11.074 6.838 ( 0.000 5.108 -12.793) 13.775 7.721 ( -0.000 -3.525 10.995) 11.546 8.201 ( -0.000 -18.110 8.242) 19.897 8.506 ( 0.000 5.259 -13.523) 14.510 8.549 ( -0.000 -15.057 -3.312) 15.417 10.924 ( 0.000 17.459 10.836) 20.548 11.157 ( 0.000 12.943 2.285) 13.143 12.102 ( -0.000 -0.166 33.368) 33.369 14.048 ( 0.000 12.287 -31.338) 33.661 16.540 ( 0.000 3.937 13.203) 13.778 16.988 ( -0.000 -3.024 -1.184) 3.247 18.898 ( -0.000 -4.867 10.695) 11.750 19.457 ( -0.000 -0.966 -7.186) 7.250 19.459 ( -0.000 -7.068 19.344) 20.595 20.429 ( -0.000 -0.049 -12.849) 12.849 21.096 ( 0.000 0.049 1.950) 1.951 21.228 ( -0.000 -1.302 -2.419) 2.747 22.571 ( 0.000 1.044 -0.621) 1.215 22.707 ( 0.000 0.465 -4.828) 4.850 27.145 ( 0.000 5.065 1.901) 5.410 27.269 ( 0.000 1.789 -2.176) 2.817 29.473 ( -0.000 -3.342 4.504) 5.609 29.755 ( -0.000 -1.817 -4.745) 5.082 49.385 ( -0.000 -0.464 1.596) 1.662 49.518 ( 0.000 0.434 -2.756) 2.790 53.556 ( 0.000 0.552 -0.902) 1.057 53.716 ( 0.000 0.141 -7.271) 7.272 54.074 ( 0.000 0.416 2.209) 2.248 54.179 ( -0.000 -0.892 -0.684) 1.124 55.817 ( -0.000 -0.339 -0.961) 1.019 55.866 ( -0.000 -1.549 -1.307) 2.027 ======================= Grid point 372 (124/150) ======================= q-point: ( 0.44 -0.56 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.750 ( 8.128 -0.000 19.758) 21.365 4.294 ( -16.643 0.000 17.719) 24.310 4.344 ( 12.516 -0.000 4.279) 13.228 4.524 ( -3.228 0.000 0.101) 3.229 4.816 ( 3.671 -0.000 -3.771) 5.263 5.414 ( -8.623 0.000 -16.810) 18.893 5.696 ( 2.036 -0.000 4.813) 5.226 5.987 ( 6.254 -0.000 -0.845) 6.311 6.063 ( 3.694 -0.000 -4.711) 5.986 6.140 ( 3.890 -0.000 5.974) 7.129 6.357 ( -6.719 0.000 -4.622) 8.155 6.960 ( -4.369 0.000 -7.469) 8.653 7.569 ( 7.662 -0.000 11.432) 13.762 7.942 ( -12.550 0.000 7.253) 14.495 8.197 ( -2.498 0.000 -7.719) 8.114 8.593 ( 1.866 -0.000 -15.169) 15.283 11.285 ( 7.419 -0.000 10.677) 13.002 11.329 ( 5.537 -0.000 7.989) 9.721 12.178 ( -9.231 0.000 38.949) 40.028 14.299 ( 1.538 -0.000 -31.338) 31.375 16.660 ( 1.814 -0.000 10.290) 10.449 16.871 ( 0.153 -0.000 2.183) 2.188 18.687 ( 10.487 -0.000 12.130) 16.034 19.375 ( 7.666 -0.000 -9.835) 12.470 19.440 ( -13.337 0.000 19.872) 23.933 20.463 ( -3.837 0.000 -14.093) 14.606 21.130 ( -0.437 0.000 -0.085) 0.445 21.162 ( 0.552 -0.000 -0.997) 1.139 22.593 ( 0.070 -0.000 -0.757) 0.761 22.704 ( 1.596 -0.000 -4.279) 4.567 27.262 ( 1.973 -0.000 0.248) 1.988 27.275 ( 1.131 -0.000 -0.234) 1.155 29.414 ( -1.733 0.000 4.723) 5.031 29.713 ( 0.128 -0.000 -5.037) 5.039 49.311 ( 7.511 -0.000 1.640) 7.688 49.479 ( 5.637 -0.000 -3.870) 6.838 53.641 ( -7.002 0.000 2.322) 7.376 53.718 ( -3.030 0.000 -3.819) 4.875 54.140 ( -0.610 0.000 -3.133) 3.192 54.156 ( -4.441 0.000 -0.164) 4.444 55.788 ( 3.352 -0.000 -1.827) 3.817 55.799 ( 3.461 -0.000 -0.988) 3.600 ======================= Grid point 374 (125/150) ======================= q-point: (-0.44 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.832 ( 0.000 3.057 24.651) 24.839 4.038 ( 0.000 11.138 14.586) 18.353 4.459 ( 0.000 0.813 3.847) 3.932 4.546 ( -0.000 -7.402 0.213) 7.405 4.857 ( -0.000 -1.963 -5.423) 5.768 5.338 ( -0.000 -0.705 -18.748) 18.761 5.675 ( 0.000 6.192 5.978) 8.607 5.920 ( 0.000 10.697 -1.748) 10.839 6.150 ( 0.000 4.443 16.881) 17.456 6.190 ( -0.000 -7.173 -4.124) 8.274 6.327 ( -0.000 -5.244 -13.367) 14.358 6.920 ( 0.000 0.713 -9.255) 9.283 7.670 ( -0.000 -0.708 14.475) 14.492 7.850 ( -0.000 -6.800 5.845) 8.966 8.225 ( -0.000 -7.710 -6.097) 9.830 8.600 ( 0.000 1.803 -16.388) 16.487 11.278 ( 0.000 8.554 10.969) 13.910 11.367 ( 0.000 2.642 7.459) 7.913 12.101 ( 0.000 0.015 39.699) 39.699 14.278 ( 0.000 4.620 -32.714) 33.039 16.649 ( 0.000 3.462 10.701) 11.247 16.896 ( -0.000 -3.131 1.837) 3.630 18.807 ( -0.000 -1.813 11.598) 11.739 19.327 ( -0.000 -2.600 21.270) 21.429 19.442 ( -0.000 -0.229 -8.773) 8.776 20.429 ( 0.000 0.007 -15.298) 15.298 21.115 ( 0.000 1.193 0.544) 1.311 21.182 ( -0.000 -1.825 -1.537) 2.386 22.591 ( 0.000 0.385 -0.531) 0.656 22.716 ( 0.000 0.195 -4.471) 4.475 27.252 ( 0.000 2.828 0.649) 2.901 27.292 ( -0.000 -0.192 -0.697) 0.723 29.409 ( -0.000 -1.326 4.926) 5.101 29.719 ( -0.000 -0.771 -5.218) 5.275 49.376 ( -0.000 -0.167 1.682) 1.691 49.526 ( 0.000 0.155 -3.200) 3.204 53.577 ( 0.000 0.765 1.124) 1.360 53.695 ( -0.000 -0.986 -5.008) 5.105 54.107 ( 0.000 1.591 -0.003) 1.591 54.149 ( -0.000 -1.333 -1.334) 1.885 55.814 ( 0.000 0.070 -1.742) 1.743 55.833 ( -0.000 -0.791 -1.248) 1.478 ======================= Grid point 415 (126/150) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( 0.000 0.000 29.582) 29.582 3.508 ( 0.000 0.000 29.567) 29.567 3.857 ( 0.000 0.000 -23.653) 23.653 4.032 ( 0.000 0.000 -24.753) 24.753 4.870 ( 0.000 0.000 25.627) 25.627 5.242 ( 0.000 0.000 -13.137) 13.137 5.273 ( 0.000 0.000 3.084) 3.084 5.385 ( 0.000 0.000 -8.205) 8.205 6.222 ( 0.000 0.000 8.137) 8.137 6.386 ( 0.000 0.000 -8.851) 8.851 6.907 ( 0.000 0.000 8.158) 8.158 7.094 ( 0.000 0.000 -10.783) 10.783 8.123 ( 0.000 0.000 5.380) 5.380 8.256 ( 0.000 0.000 -8.042) 8.042 9.384 ( 0.000 0.000 2.280) 2.280 9.395 ( 0.000 0.000 1.155) 1.155 9.717 ( 0.000 0.000 3.035) 3.035 9.758 ( 0.000 0.000 -1.149) 1.149 12.399 ( 0.000 0.000 13.021) 13.021 12.703 ( 0.000 0.000 -18.618) 18.618 16.708 ( 0.000 0.000 13.616) 13.616 16.925 ( 0.000 0.000 -8.865) 8.865 19.349 ( 0.000 0.000 7.027) 7.027 19.485 ( 0.000 0.000 -7.150) 7.150 20.218 ( 0.000 0.000 9.475) 9.475 20.363 ( 0.000 0.000 -5.610) 5.610 21.156 ( 0.000 0.000 0.341) 0.341 21.170 ( 0.000 0.000 -0.915) 0.915 22.507 ( 0.000 0.000 2.306) 2.306 22.575 ( 0.000 0.000 -4.681) 4.681 26.913 ( 0.000 0.000 5.427) 5.427 27.020 ( 0.000 0.000 -5.647) 5.647 29.749 ( 0.000 0.000 2.776) 2.776 29.802 ( 0.000 0.000 -2.751) 2.751 49.444 ( 0.000 0.000 0.925) 0.925 49.461 ( 0.000 0.000 -0.903) 0.903 53.471 ( 0.000 0.000 1.447) 1.447 53.532 ( 0.000 0.000 -4.674) 4.674 54.136 ( 0.000 0.000 2.329) 2.329 54.192 ( 0.000 0.000 -3.477) 3.477 55.896 ( 0.000 0.000 2.066) 2.066 55.934 ( 0.000 0.000 -1.664) 1.664 ======================= Grid point 416 (127/150) ======================= q-point: ( 0.11 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 3.188 -4.019 28.239) 28.701 3.568 ( 4.703 -3.376 29.075) 29.645 3.897 ( 2.216 -2.307 -22.966) 23.188 4.088 ( 3.659 -3.980 -24.519) 25.108 4.907 ( 1.434 -3.383 21.554) 21.865 5.146 ( -5.443 0.779 -2.657) 6.107 5.376 ( 6.967 -0.496 -4.047) 8.073 5.416 ( 4.187 0.066 -7.313) 8.427 6.224 ( 0.290 0.388 7.227) 7.243 6.360 ( -3.378 -0.551 -6.600) 7.434 6.915 ( 4.014 4.095 5.053) 7.643 7.059 ( -0.880 4.623 -8.929) 10.093 8.047 ( -7.039 1.666 3.501) 8.036 8.139 ( -9.733 3.520 -5.545) 11.741 9.402 ( 6.239 5.272 2.552) 8.557 9.425 ( 6.268 3.828 0.231) 7.349 9.773 ( -2.193 -10.116 3.372) 10.887 9.823 ( -1.074 -10.369 -1.709) 10.563 12.495 ( 10.203 -1.647 13.107) 16.692 12.794 ( 6.934 -4.782 -17.972) 19.848 16.705 ( -0.521 -0.092 13.344) 13.354 16.916 ( -1.101 -0.125 -8.658) 8.729 19.253 ( -9.890 1.488 6.762) 12.073 19.385 ( -10.603 1.317 -6.951) 12.746 20.255 ( 6.255 2.755 9.018) 11.316 20.391 ( 4.054 1.342 -5.109) 6.659 21.153 ( -0.374 -0.100 0.553) 0.675 21.170 ( -0.375 -0.536 -1.157) 1.329 22.508 ( -0.196 -0.441 2.122) 2.176 22.572 ( -0.487 -0.271 -4.507) 4.541 26.933 ( 1.012 -1.591 5.108) 5.445 27.033 ( 0.552 -1.226 -5.309) 5.477 29.737 ( -0.578 1.061 2.660) 2.921 29.788 ( -1.122 0.711 -2.652) 2.966 49.384 ( -6.943 0.179 1.263) 7.059 49.411 ( -6.021 0.018 -1.579) 6.224 53.503 ( 3.041 -0.854 1.784) 3.628 53.569 ( 4.582 0.053 -5.002) 6.784 54.180 ( 5.006 -0.187 1.419) 5.206 54.215 ( 3.035 0.232 -2.291) 3.810 55.856 ( -4.436 0.509 2.191) 4.974 55.896 ( -4.150 0.544 -1.801) 4.557 ======================= Grid point 417 (128/150) ======================= q-point: ( 0.22 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 3.557 -5.506 23.896) 24.779 3.742 ( 7.938 -6.775 27.857) 29.748 3.952 ( 0.087 -1.981 -20.184) 20.281 4.243 ( 5.789 -6.869 -23.828) 25.466 4.979 ( 2.578 -1.342 12.729) 13.057 5.089 ( 1.257 1.019 1.085) 1.948 5.496 ( 5.440 -2.233 -0.366) 5.892 5.528 ( 7.482 -2.899 -4.855) 9.378 6.210 ( -1.533 0.601 4.983) 5.248 6.300 ( -5.762 -1.347 -4.044) 7.168 6.907 ( 4.786 9.296 -1.414) 10.551 6.935 ( -1.654 10.079 -3.539) 10.810 7.891 ( -9.722 1.287 1.079) 9.866 7.935 ( -10.715 -1.466 -3.115) 11.254 9.443 ( 8.171 6.435 2.890) 10.794 9.474 ( 7.233 5.378 -0.385) 9.021 9.885 ( -3.320 -12.707 4.595) 13.914 9.959 ( -1.972 -12.423 -3.097) 12.954 12.745 ( 16.374 -2.356 13.059) 21.076 13.024 ( 10.373 -7.528 -15.988) 20.491 16.695 ( -0.838 -0.156 12.604) 12.633 16.894 ( -1.801 -0.196 -8.107) 8.307 19.031 ( -12.886 2.745 5.713) 14.360 19.147 ( -15.020 1.866 -6.308) 16.397 20.325 ( 7.617 4.137 7.979) 11.781 20.440 ( 4.255 1.901 -3.886) 6.068 21.148 ( -0.512 -0.239 0.810) 0.987 21.170 ( -0.742 -0.786 -1.515) 1.862 22.512 ( -0.254 -0.665 1.578) 1.731 22.566 ( -0.845 -0.350 -3.983) 4.087 26.983 ( 1.591 -2.482 4.267) 5.186 27.066 ( 0.833 -1.894 -4.423) 4.883 29.706 ( -0.827 1.696 2.324) 2.994 29.751 ( -1.816 1.092 -2.356) 3.169 49.234 ( -10.462 0.347 1.918) 10.642 49.281 ( -9.263 0.287 -2.992) 9.739 53.582 ( 4.545 -1.494 2.632) 5.460 53.667 ( 6.897 -0.293 -6.030) 9.166 54.270 ( 5.491 0.970 1.580) 5.796 54.300 ( 7.928 -0.424 -1.565) 8.092 55.751 ( -7.199 0.625 2.299) 7.583 55.793 ( -7.070 0.813 -1.980) 7.387 ======================= Grid point 418 (129/150) ======================= q-point: ( 0.33 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( 3.009 -5.011 16.598) 17.597 3.936 ( 0.228 2.307 -7.382) 7.737 3.974 ( 3.728 -10.241 18.707) 21.650 4.409 ( 3.219 -5.404 -20.407) 21.355 5.045 ( 6.616 0.386 9.277) 11.401 5.163 ( 7.793 0.728 -2.340) 8.169 5.598 ( 2.629 -3.199 7.501) 8.568 5.717 ( 8.070 -5.752 -4.747) 10.988 6.140 ( -6.902 1.875 1.403) 7.289 6.205 ( -6.788 -0.686 -4.821) 8.354 6.743 ( -1.332 11.479 3.235) 12.001 6.851 ( 3.407 10.115 -8.207) 13.464 7.744 ( -7.352 -1.430 4.357) 8.665 7.844 ( -6.638 -4.515 -5.852) 9.935 9.487 ( 6.853 5.421 2.568) 9.107 9.513 ( 5.552 4.461 -0.045) 7.122 9.989 ( -2.978 -10.334 4.861) 11.802 10.063 ( -2.696 -8.554 -2.860) 9.414 13.042 ( 15.690 -1.729 12.318) 20.022 13.284 ( 8.564 -7.066 -12.833) 16.969 16.683 ( -0.803 -0.150 11.661) 11.690 16.867 ( -1.731 -0.175 -7.434) 7.635 18.803 ( -9.692 3.011 3.739) 10.816 18.889 ( -13.417 1.308 -5.132) 14.425 20.382 ( 5.915 3.761 6.763) 9.740 20.472 ( 2.485 1.421 -2.432) 3.756 21.144 ( -0.391 -0.224 0.867) 0.977 21.168 ( -0.789 -0.727 -1.730) 2.036 22.518 ( -0.086 -0.619 0.713) 0.948 22.555 ( -0.930 -0.204 -3.134) 3.276 27.041 ( 1.468 -2.247 3.210) 4.184 27.104 ( 0.693 -1.667 -3.320) 3.780 29.671 ( -0.606 1.597 1.830) 2.503 29.707 ( -1.761 0.935 -1.896) 2.752 49.065 ( -9.053 0.394 2.453) 9.388 49.129 ( -8.161 0.451 -4.267) 9.221 53.674 ( 3.906 -1.466 3.578) 5.496 53.781 ( 5.838 -0.637 -7.440) 9.479 54.344 ( 5.271 1.189 5.721) 7.869 54.442 ( 8.388 -0.182 -4.499) 9.520 55.625 ( -6.941 0.357 1.956) 7.220 55.662 ( -7.390 0.696 -1.721) 7.619 ======================= Grid point 419 (130/150) ======================= q-point: ( 0.44 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( 2.771 -3.275 7.690) 8.806 3.869 ( -3.270 1.846 -4.077) 5.543 4.138 ( 2.602 -4.146 20.266) 20.849 4.477 ( 0.419 -1.221 -14.010) 14.069 5.173 ( 6.342 -1.467 6.229) 9.010 5.259 ( 3.573 1.458 -1.689) 4.213 5.699 ( 5.514 -4.890 9.655) 12.146 5.906 ( 3.862 -3.134 -10.984) 12.058 5.925 ( -9.620 4.302 7.328) 12.836 6.114 ( -4.677 0.960 -10.248) 11.306 6.624 ( -0.049 4.504 6.361) 7.794 6.786 ( 1.161 4.289 -10.491) 11.393 7.689 ( -2.297 -1.261 6.247) 6.774 7.819 ( -2.345 -2.092 -7.081) 7.747 9.515 ( 2.690 2.188 2.240) 4.128 9.533 ( 2.145 1.800 0.306) 2.817 10.056 ( -0.989 -4.416 3.523) 5.735 10.099 ( -1.557 -2.570 -0.970) 3.158 13.248 ( 6.826 -0.476 11.108) 13.047 13.450 ( 3.010 -3.044 -9.863) 10.752 16.675 ( -0.345 -0.062 10.975) 10.980 16.848 ( -0.731 -0.068 -6.980) 7.019 18.667 ( -2.746 1.674 1.321) 3.477 18.713 ( -6.242 0.105 -3.438) 7.127 20.414 ( 2.318 1.587 5.822) 6.464 20.484 ( 0.656 0.437 -1.338) 1.552 21.142 ( -0.133 -0.082 0.820) 0.835 21.165 ( -0.347 -0.306 -1.807) 1.865 22.525 ( 0.162 -0.329 -0.288) 0.466 22.543 ( -0.575 0.021 -2.141) 2.217 27.080 ( 0.616 -0.917 2.399) 2.641 27.128 ( 0.246 -0.648 -2.483) 2.578 29.649 ( -0.163 0.680 1.382) 1.549 29.677 ( -0.784 0.342 -1.466) 1.697 48.956 ( -3.542 0.177 2.707) 4.461 49.029 ( -3.225 0.222 -4.955) 5.916 53.734 ( 1.525 -0.617 4.149) 4.464 53.855 ( 2.216 -0.349 -8.384) 8.679 54.397 ( 2.369 0.587 8.864) 9.194 54.549 ( 3.851 -0.034 -6.941) 7.938 55.538 ( -2.976 0.077 1.333) 3.262 55.561 ( -3.461 0.271 -1.019) 3.618 ======================= Grid point 425 (131/150) ======================= q-point: ( 0.11 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( 4.902 -0.000 26.316) 26.769 3.642 ( 6.779 -0.000 24.718) 25.631 3.939 ( 4.111 -0.000 -20.167) 20.582 4.144 ( 6.615 -0.000 -22.154) 23.121 4.948 ( 6.177 -0.000 17.064) 18.148 5.105 ( 0.017 -0.000 0.039) 0.043 5.467 ( 4.997 -0.000 -2.941) 5.798 5.490 ( 5.279 -0.000 -6.182) 8.129 6.222 ( -1.383 0.000 3.924) 4.161 6.276 ( -6.401 0.000 -1.484) 6.571 7.043 ( 7.894 -0.000 -1.239) 7.991 7.085 ( 0.294 -0.000 -4.905) 4.913 7.898 ( -11.920 0.000 1.060) 11.967 7.946 ( -15.939 0.000 -3.270) 16.272 9.445 ( -5.494 0.000 1.321) 5.650 9.459 ( -4.570 0.000 -0.115) 4.571 9.781 ( 11.267 -0.000 5.308) 12.455 9.854 ( 12.314 -0.000 -2.265) 12.520 12.718 ( 17.831 -0.000 8.364) 19.695 12.914 ( 11.189 -0.000 -12.073) 16.461 16.694 ( -0.701 0.000 12.584) 12.604 16.891 ( -1.823 0.000 -7.949) 8.156 19.069 ( -13.123 0.000 4.976) 14.034 19.174 ( -15.595 0.000 -5.944) 16.689 20.386 ( 7.146 -0.000 6.342) 9.554 20.466 ( 3.518 -0.000 -1.823) 3.963 21.143 ( -0.703 0.000 0.155) 0.720 21.157 ( -0.787 0.000 -1.181) 1.420 22.503 ( -0.083 0.000 1.815) 1.817 22.561 ( -0.666 0.000 -4.210) 4.262 26.948 ( 2.117 -0.000 4.697) 5.152 27.040 ( 1.254 -0.000 -4.838) 4.998 29.730 ( -1.110 0.000 1.844) 2.152 29.766 ( -2.163 0.000 -1.869) 2.859 49.239 ( -10.464 0.000 1.918) 10.638 49.285 ( -9.049 0.000 -2.973) 9.525 53.561 ( 4.686 -0.000 3.739) 5.995 53.666 ( 6.897 -0.000 -6.942) 9.786 54.285 ( 5.079 -0.000 0.086) 5.080 54.291 ( 8.393 -0.000 -0.488) 8.407 55.760 ( -7.508 0.000 2.516) 7.919 55.804 ( -7.301 0.000 -2.012) 7.573 ======================= Grid point 426 (132/150) ======================= q-point: ( 0.22 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( 4.713 -2.398 20.647) 21.314 3.761 ( 2.978 -4.485 12.360) 13.482 4.014 ( 7.400 2.326 -5.972) 9.790 4.290 ( 8.227 -3.001 -19.654) 21.517 5.073 ( 8.678 1.224 11.230) 14.245 5.162 ( 7.030 -0.636 2.148) 7.379 5.541 ( 3.263 -1.016 0.661) 3.481 5.596 ( 5.864 -2.674 -5.978) 8.791 6.157 ( -6.733 -0.278 1.132) 6.834 6.170 ( -7.660 -0.828 -0.296) 7.711 7.049 ( 0.998 8.465 1.836) 8.719 7.132 ( 8.077 8.325 -7.010) 13.553 7.688 ( -15.242 -2.305 0.421) 15.421 7.720 ( -10.813 -3.817 -3.115) 11.882 9.346 ( -11.660 -7.226 2.031) 13.867 9.372 ( -10.944 -7.000 -0.740) 13.012 10.002 ( 17.435 3.817 5.933) 18.809 10.086 ( 17.368 3.578 -2.908) 17.969 13.025 ( 18.755 0.523 4.579) 19.313 13.127 ( 11.363 -4.164 -6.051) 13.531 16.684 ( -0.412 0.081 11.487) 11.494 16.862 ( -1.801 -0.157 -7.046) 7.274 18.861 ( -10.773 1.209 1.892) 11.004 18.915 ( -14.997 0.584 -3.722) 15.463 20.468 ( 4.171 2.338 4.071) 6.280 20.499 ( 1.386 0.268 0.930) 1.691 21.135 ( -0.542 -0.305 -0.100) 0.630 21.146 ( -0.969 -0.601 -1.306) 1.734 22.506 ( 0.319 -0.228 1.149) 1.214 22.552 ( -0.548 -0.055 -3.544) 3.587 26.996 ( 2.844 -0.951 3.813) 4.851 27.070 ( 1.779 -0.715 -3.889) 4.336 29.704 ( -1.376 0.754 0.957) 1.838 29.723 ( -2.667 0.254 -1.027) 2.869 49.073 ( -9.238 0.156 2.642) 9.610 49.140 ( -8.076 0.268 -4.454) 9.226 53.645 ( 4.857 -0.623 5.013) 7.008 53.777 ( 6.595 0.105 -8.584) 10.825 54.364 ( 4.546 0.369 3.844) 5.965 54.432 ( 8.095 -0.361 -3.171) 8.701 55.633 ( -7.441 0.151 2.368) 7.810 55.675 ( -7.938 0.264 -1.924) 8.172 ======================= Grid point 427 (133/150) ======================= q-point: ( 0.33 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 4.971 -3.149 12.571) 13.880 3.819 ( -3.128 -4.498 -1.270) 5.624 4.134 ( 11.686 3.365 12.753) 17.622 4.452 ( 7.101 -1.499 -16.720) 18.227 5.180 ( 7.420 2.124 9.771) 12.452 5.304 ( 7.708 1.261 -2.688) 8.260 5.599 ( 2.355 -2.254 8.871) 9.451 5.751 ( 6.166 -5.854 -6.418) 10.653 6.013 ( -11.058 1.359 -0.839) 11.173 6.065 ( -7.465 -3.755 -4.174) 9.340 6.879 ( -2.701 13.421 6.684) 15.235 7.044 ( 0.156 13.367 -10.446) 16.965 7.584 ( -5.163 -6.738 4.912) 9.807 7.702 ( -1.175 -6.950 -7.176) 10.059 9.260 ( -15.476 -12.609 2.581) 20.128 9.295 ( -14.466 -12.064 -1.035) 18.865 10.218 ( 19.406 8.944 5.493) 22.063 10.290 ( 18.290 9.398 -2.136) 20.673 13.235 ( 6.849 -0.417 7.687) 10.304 13.376 ( 12.267 -2.298 -6.892) 14.257 16.680 ( 0.296 0.330 10.535) 10.545 16.842 ( -0.863 -0.294 -6.368) 6.433 18.700 ( -8.559 0.599 0.124) 8.581 18.725 ( -5.067 0.780 -2.545) 5.724 20.450 ( -2.504 1.064 5.693) 6.310 20.514 ( 1.107 1.451 -0.791) 1.989 21.132 ( -0.389 -0.461 0.116) 0.615 21.146 ( -0.279 -0.937 -1.474) 1.769 22.518 ( 0.851 -0.161 0.190) 0.887 22.545 ( -0.186 0.106 -2.573) 2.582 27.056 ( 2.854 -0.800 2.783) 4.066 27.110 ( 1.893 -0.576 -2.824) 3.448 29.667 ( -2.051 0.572 0.850) 2.293 29.684 ( -1.598 0.176 -0.948) 1.866 48.960 ( -4.012 0.125 2.998) 5.010 49.038 ( -3.474 0.404 -5.256) 6.313 53.721 ( 3.485 -0.320 5.272) 6.328 53.862 ( 4.138 0.623 -9.216) 10.122 54.404 ( 0.316 0.036 7.591) 7.598 54.535 ( 2.974 -0.790 -6.016) 6.757 55.540 ( -3.249 0.052 1.546) 3.599 55.567 ( -4.254 0.148 -1.193) 4.421 ======================= Grid point 428 (134/150) ======================= q-point: ( 0.44 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.776 ( 4.698 -1.646 4.360) 6.617 3.807 ( -1.743 -1.831 1.853) 3.134 4.259 ( 9.031 4.651 15.567) 18.588 4.543 ( 5.402 2.708 -12.725) 14.087 5.223 ( -1.196 1.290 5.941) 6.196 5.280 ( -4.726 4.830 0.440) 6.771 5.748 ( 8.024 -5.801 8.320) 12.932 5.817 ( -6.724 2.350 2.857) 7.675 5.916 ( 2.233 -4.050 -7.042) 8.425 6.024 ( -2.497 -4.996 -10.705) 12.074 6.669 ( -4.588 7.764 8.306) 12.261 6.859 ( -3.387 8.804 -11.332) 14.744 7.648 ( 2.328 -4.569 7.735) 9.280 7.810 ( 5.205 -3.022 -9.066) 10.882 9.180 ( -17.684 -15.764 3.292) 23.918 9.225 ( -16.330 -15.052 -1.450) 22.256 10.377 ( 18.511 13.796 4.163) 23.459 10.422 ( 17.807 14.613 -0.567) 23.042 13.257 ( -4.376 0.160 14.691) 15.330 13.523 ( 5.116 2.293 -12.939) 14.102 16.685 ( 1.074 0.632 10.295) 10.370 16.844 ( 0.592 -0.335 -6.275) 6.312 18.624 ( -0.696 -1.402 3.573) 3.901 18.715 ( 4.398 0.179 -5.762) 7.251 20.378 ( -6.092 -0.954 8.006) 10.105 20.492 ( -1.830 0.807 -3.694) 4.200 21.135 ( -0.093 -0.500 0.827) 0.971 21.159 ( 0.373 -0.715 -1.764) 1.940 22.534 ( 0.887 0.303 -0.605) 1.116 22.545 ( 0.693 0.185 -1.757) 1.898 27.100 ( 2.023 0.485 2.121) 2.971 27.141 ( 1.602 0.338 -2.170) 2.718 29.633 ( -1.762 -0.481 1.745) 2.526 29.668 ( -0.442 -0.283 -1.842) 1.915 48.951 ( 3.000 -0.145 2.928) 4.195 49.029 ( 2.885 0.191 -5.206) 5.955 53.754 ( 0.669 0.842 4.611) 4.734 53.883 ( 0.069 1.608 -8.786) 8.932 54.372 ( -4.773 -1.173 9.309) 10.527 54.532 ( -4.849 -1.196 -7.314) 8.856 55.536 ( 2.693 -0.053 1.008) 2.876 55.554 ( 2.567 -0.276 -0.759) 2.691 ======================= Grid point 429 (135/150) ======================= q-point: (-0.44 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.761 ( -0.734 2.873 10.045) 10.474 3.892 ( 4.445 -0.696 -0.186) 4.503 4.262 ( 2.800 10.072 13.755) 17.277 4.564 ( 4.103 5.989 -13.679) 15.486 5.078 ( -9.626 3.024 3.728) 10.757 5.135 ( -7.970 -0.337 -1.186) 8.065 5.691 ( -2.802 3.138 8.773) 9.730 5.842 ( -8.216 2.554 -5.336) 10.124 6.024 ( 10.920 -6.621 3.356) 13.204 6.159 ( 6.175 -4.647 -8.895) 11.783 6.557 ( -3.172 -1.447 6.490) 7.367 6.725 ( -4.138 1.921 -10.804) 11.728 7.752 ( 5.446 -1.251 8.626) 10.278 7.926 ( 7.369 1.220 -9.432) 12.031 9.117 ( -17.182 -17.516 4.084) 24.874 9.174 ( -15.793 -16.650 -1.900) 23.028 10.432 ( 14.688 18.421 4.148) 23.923 10.480 ( 15.982 18.037 -0.913) 24.116 13.102 ( -11.979 2.473 19.780) 23.257 13.474 ( -3.322 6.810 -18.854) 20.320 16.696 ( 1.404 0.814 10.939) 11.059 16.867 ( 1.652 -0.221 -6.843) 7.044 18.716 ( 7.751 -3.275 6.518) 10.644 18.853 ( 11.325 -1.249 -7.661) 13.729 20.287 ( -8.381 -3.167 9.756) 13.246 20.440 ( -4.382 -0.825 -6.061) 7.525 21.141 ( 0.145 -0.383 1.479) 1.535 21.174 ( 0.628 -0.302 -1.999) 2.117 22.537 ( 0.616 0.784 0.138) 1.007 22.562 ( 1.467 0.327 -2.483) 2.902 27.104 ( 0.744 2.282 2.342) 3.353 27.150 ( 1.010 1.625 -2.434) 3.096 29.626 ( -0.842 -1.663 2.639) 3.231 29.678 ( 0.479 -1.159 -2.718) 2.993 49.054 ( 8.756 -0.445 2.580) 9.139 49.121 ( 8.140 -0.146 -4.453) 9.279 53.718 ( -2.719 1.864 3.245) 4.626 53.819 ( -4.589 2.243 -7.271) 8.886 54.300 ( -6.257 -2.056 7.665) 10.106 54.431 ( -8.824 -1.138 -5.870) 10.659 55.616 ( 6.275 -0.352 1.260) 6.410 55.641 ( 6.576 -0.822 -1.286) 6.751 ======================= Grid point 430 (136/150) ======================= q-point: (-0.33 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( -0.264 6.381 18.224) 19.311 3.906 ( -1.365 4.652 12.309) 13.229 4.119 ( -0.291 10.673 -1.811) 10.830 4.472 ( -3.197 9.760 -22.418) 24.659 4.969 ( -0.918 -1.850 7.956) 8.220 5.066 ( -1.328 -0.769 -1.002) 1.833 5.583 ( -5.563 4.085 3.825) 7.891 5.635 ( -10.391 4.576 -2.058) 11.539 6.196 ( 3.060 -0.761 5.955) 6.739 6.311 ( 7.263 -1.700 -5.512) 9.275 6.623 ( 1.017 -9.700 0.311) 9.758 6.688 ( -3.199 -6.222 -6.903) 9.829 7.859 ( 6.557 -0.757 7.320) 9.857 8.014 ( 7.355 3.273 -8.471) 11.686 9.095 ( -13.939 -17.292 4.624) 22.687 9.160 ( -12.929 -16.170 -2.040) 20.803 10.370 ( 10.168 20.944 5.074) 23.828 10.445 ( 11.301 20.790 -2.804) 23.829 12.840 ( -13.597 4.483 21.651) 25.957 13.266 ( -7.486 9.968 -22.641) 25.846 16.707 ( 1.186 0.781 12.048) 12.132 16.898 ( 1.768 -0.020 -7.772) 7.970 18.935 ( 12.197 -4.230 7.879) 15.124 19.087 ( 13.746 -2.436 -7.879) 16.030 20.197 ( -9.247 -4.991 11.023) 15.229 20.379 ( -5.746 -2.403 -7.725) 9.923 21.149 ( 0.205 -0.254 1.797) 1.826 21.185 ( 0.589 0.154 -2.079) 2.166 22.535 ( 0.609 1.012 1.087) 1.605 22.579 ( 1.264 0.595 -3.428) 3.702 27.067 ( -0.213 3.616 3.212) 4.841 27.130 ( 0.280 2.717 -3.362) 4.332 29.648 ( -0.031 -2.507 3.232) 4.090 29.711 ( 0.973 -1.841 -3.283) 3.887 49.222 ( 10.471 -0.531 2.097) 10.692 49.273 ( 9.635 -0.238 -3.258) 10.174 53.629 ( -4.625 1.899 1.512) 5.223 53.694 ( -6.786 1.881 -5.246) 8.781 54.233 ( -5.139 -1.758 4.051) 6.775 54.302 ( -7.834 -0.444 -3.105) 8.439 55.730 ( 6.495 -0.841 1.665) 6.758 55.765 ( 6.509 -1.259 -1.773) 6.863 ======================= Grid point 431 (137/150) ======================= q-point: (-0.22 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( -0.393 8.959 24.099) 25.713 3.735 ( -5.143 8.777 28.718) 30.467 4.020 ( 0.495 6.761 -19.593) 20.732 4.268 ( -4.622 8.752 -25.473) 27.328 5.034 ( 5.156 3.373 11.129) 12.720 5.100 ( 4.465 -1.573 3.683) 5.998 5.409 ( -8.748 1.104 -3.801) 9.602 5.436 ( -7.933 3.418 -3.958) 9.501 6.214 ( 0.075 0.018 8.900) 8.900 6.391 ( 3.237 1.723 -8.845) 9.575 6.731 ( -2.131 -8.867 3.148) 9.648 6.828 ( 2.210 -11.495 -5.662) 13.003 7.984 ( 5.334 -2.912 4.339) 7.467 8.087 ( 5.875 1.359 -6.068) 8.555 9.127 ( -8.311 -14.865 4.543) 17.626 9.186 ( -7.899 -13.469 -1.581) 15.694 10.213 ( 4.996 20.950 4.912) 22.090 10.294 ( 5.390 22.080 -3.649) 23.019 12.586 ( -9.017 5.017 20.608) 23.047 13.011 ( -5.883 10.723 -23.690) 26.661 16.712 ( 0.643 0.576 13.034) 13.062 16.921 ( 1.088 0.132 -8.568) 8.638 19.179 ( 10.011 -3.875 7.832) 13.288 19.325 ( 10.153 -2.886 -7.279) 12.822 20.132 ( -7.192 -5.864 11.740) 14.965 20.328 ( -4.728 -3.157 -8.510) 10.235 21.154 ( 0.159 -0.130 1.682) 1.694 21.188 ( 0.346 0.548 -1.912) 2.019 22.529 ( 0.354 1.061 1.749) 2.076 22.586 ( 0.674 0.705 -4.104) 4.218 27.009 ( -0.484 3.925 4.194) 5.765 27.092 ( -0.125 3.017 -4.397) 5.334 29.686 ( 0.265 -2.646 3.423) 4.335 29.752 ( 0.797 -1.953 -3.441) 4.037 49.376 ( 6.999 -0.416 1.593) 7.190 49.410 ( 6.386 -0.042 -2.014) 6.696 53.538 ( -3.361 1.489 0.159) 3.679 53.577 ( -4.773 0.966 -3.833) 6.197 54.178 ( -3.888 -0.613 1.663) 4.273 54.209 ( -3.596 -0.147 -1.569) 3.927 55.832 ( 4.086 -1.168 1.845) 4.633 55.869 ( 3.917 -1.376 -1.834) 4.539 ======================= Grid point 432 (138/150) ======================= q-point: (-0.11 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 0.000 8.241 27.277) 28.494 3.590 ( 0.000 6.067 30.101) 30.706 3.936 ( 0.000 5.654 -22.057) 22.770 4.128 ( 0.000 6.635 -25.819) 26.658 4.979 ( 0.000 7.786 21.513) 22.878 5.219 ( -0.000 -3.799 4.945) 6.236 5.287 ( 0.000 3.439 -10.493) 11.042 5.360 ( -0.000 -2.160 -9.215) 9.465 6.216 ( -0.000 -0.314 8.886) 8.892 6.397 ( 0.000 1.026 -9.906) 9.959 6.814 ( -0.000 -6.517 7.738) 10.116 6.982 ( -0.000 -8.562 -8.902) 12.351 8.073 ( -0.000 -2.855 3.416) 4.452 8.161 ( -0.000 -3.860 -5.262) 6.526 9.229 ( -0.000 -10.945 3.851) 11.603 9.272 ( -0.000 -9.446 -0.572) 9.463 9.992 ( 0.000 17.841 3.677) 18.216 10.053 ( 0.000 19.823 -2.745) 20.012 12.449 ( 0.000 3.826 17.463) 17.877 12.828 ( 0.000 8.797 -22.040) 23.731 16.712 ( 0.000 0.310 13.512) 13.516 16.928 ( 0.000 0.178 -8.897) 8.898 19.312 ( -0.000 -2.747 7.354) 7.850 19.450 ( -0.000 -2.465 -6.981) 7.403 20.143 ( -0.000 -5.132 11.180) 12.301 20.326 ( -0.000 -2.700 -7.700) 8.160 21.157 ( -0.000 -0.006 1.179) 1.179 21.182 ( 0.000 0.738 -1.518) 1.688 22.519 ( 0.000 0.861 2.091) 2.261 22.582 ( 0.000 0.575 -4.463) 4.500 26.957 ( 0.000 3.124 4.912) 5.822 27.054 ( 0.000 2.412 -5.137) 5.675 29.720 ( -0.000 -2.072 3.216) 3.825 29.782 ( -0.000 -1.489 -3.207) 3.536 49.439 ( -0.000 -0.306 1.222) 1.259 49.463 ( 0.000 0.099 -1.271) 1.275 53.492 ( 0.000 1.344 0.196) 1.358 53.530 ( 0.000 0.098 -3.715) 3.717 54.143 ( 0.000 0.281 1.979) 1.999 54.187 ( -0.000 -0.365 -2.564) 2.590 55.882 ( -0.000 -1.035 1.933) 2.192 55.918 ( -0.000 -1.096 -1.736) 2.053 ======================= Grid point 435 (139/150) ======================= q-point: ( 0.22 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( 6.064 -0.000 13.781) 15.056 3.746 ( -0.432 0.000 3.307) 3.335 4.202 ( 12.534 -0.000 3.930) 13.136 4.415 ( 8.944 -0.000 -13.880) 16.512 5.265 ( 11.912 -0.000 6.922) 13.777 5.276 ( 7.897 -0.000 5.928) 9.875 5.581 ( 2.415 -0.000 1.128) 2.665 5.662 ( 5.014 -0.000 -7.549) 9.063 5.994 ( -10.803 0.000 1.381) 10.891 6.028 ( -10.696 0.000 -2.035) 10.888 7.174 ( 4.650 -0.000 7.623) 8.929 7.336 ( -3.866 0.000 -5.136) 6.428 7.418 ( -1.910 0.000 -3.081) 3.625 7.487 ( -11.416 0.000 -6.373) 13.075 9.072 ( -15.172 0.000 2.983) 15.462 9.116 ( -14.120 0.000 -1.595) 14.209 10.347 ( 20.792 -0.000 5.948) 21.626 10.426 ( 20.149 -0.000 -2.345) 20.285 13.230 ( 5.383 -0.000 6.172) 8.190 13.343 ( 17.394 -0.000 -5.557) 18.260 16.686 ( 0.597 -0.000 10.060) 10.078 16.837 ( -0.966 0.000 -5.775) 5.856 18.706 ( -10.567 0.000 0.325) 10.572 18.738 ( -4.886 0.000 -2.962) 5.714 20.465 ( -4.273 0.000 6.279) 7.595 20.537 ( 1.068 -0.000 -1.125) 1.552 21.128 ( -0.662 0.000 -0.811) 1.047 21.128 ( -0.005 0.000 -0.804) 0.804 22.516 ( 1.109 -0.000 0.407) 1.182 22.547 ( -0.008 0.000 -2.743) 2.743 27.044 ( 3.716 -0.000 2.967) 4.756 27.102 ( 2.545 -0.000 -2.972) 3.912 29.675 ( -3.197 0.000 0.479) 3.232 29.686 ( -1.496 0.000 -0.588) 1.607 48.961 ( -4.189 0.000 3.229) 5.289 49.045 ( -3.572 0.000 -5.504) 6.562 53.717 ( 4.373 -0.000 6.141) 7.539 53.873 ( 4.914 -0.000 -9.917) 11.068 54.403 ( -0.548 0.000 6.836) 6.858 54.522 ( 2.550 -0.000 -5.434) 6.003 55.541 ( -3.354 0.000 1.608) 3.720 55.569 ( -4.570 0.000 -1.243) 4.736 ======================= Grid point 436 (140/150) ======================= q-point: ( 0.33 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( 8.286 -0.927 5.905) 10.217 3.756 ( 0.551 -1.463 3.888) 4.190 4.380 ( 11.889 3.774 7.376) 14.491 4.555 ( 6.775 -1.457 -9.849) 12.043 5.312 ( 1.012 5.286 10.996) 12.242 5.444 ( 5.221 4.148 -3.024) 7.321 5.613 ( 3.121 -2.449 8.659) 9.524 5.773 ( 4.565 -4.750 -7.049) 9.648 5.855 ( -7.279 -1.081 -4.026) 8.388 5.867 ( -8.454 -4.295 -3.781) 10.208 6.973 ( -9.728 12.967 8.292) 18.208 7.141 ( -8.501 8.812 -8.159) 14.714 7.454 ( 3.839 -8.172 7.324) 11.626 7.653 ( 8.822 -7.816 -12.495) 17.177 8.861 ( -16.842 -6.725 3.871) 18.543 8.921 ( -15.457 -6.346 -2.475) 16.891 10.647 ( 20.541 5.593 5.427) 21.969 10.709 ( 19.417 5.934 -1.056) 20.331 13.258 ( -2.172 -0.009 16.935) 17.073 13.565 ( 9.826 0.811 -14.853) 17.828 16.702 ( 1.714 0.475 8.977) 9.152 16.834 ( 0.343 -0.310 -4.814) 4.836 18.599 ( -2.621 -0.502 4.971) 5.642 18.719 ( 2.876 0.108 -7.444) 7.981 20.364 ( -8.081 -0.194 9.909) 12.788 20.514 ( -3.248 0.582 -5.572) 6.476 21.124 ( 0.045 -0.164 0.093) 0.194 21.136 ( 0.316 -0.738 -1.170) 1.419 22.539 ( 1.723 0.107 -0.563) 1.816 22.551 ( 0.576 0.140 -1.696) 1.796 27.107 ( 3.788 0.106 2.040) 4.304 27.146 ( 2.791 0.074 -2.019) 3.445 29.625 ( -2.992 -0.163 1.905) 3.551 29.663 ( -1.297 -0.102 -2.030) 2.411 48.949 ( 2.657 -0.045 3.352) 4.278 49.035 ( 2.597 0.164 -5.669) 6.237 53.773 ( 2.515 0.485 5.824) 6.362 53.924 ( 1.758 1.046 -9.725) 9.938 54.344 ( -6.679 -0.682 8.974) 11.208 54.500 ( -5.783 -0.891 -7.125) 9.220 55.536 ( 2.569 -0.000 0.704) 2.664 55.548 ( 1.969 -0.133 -0.520) 2.040 ======================= Grid point 437 (141/150) ======================= q-point: ( 0.44 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.796 ( 3.058 0.229 8.197) 8.752 3.889 ( 9.732 0.222 -0.432) 9.745 4.469 ( 6.561 5.716 9.554) 12.923 4.661 ( 5.036 0.091 -9.155) 10.449 5.145 ( -12.213 3.990 10.197) 16.403 5.284 ( -7.025 9.983 -4.243) 12.923 5.727 ( -0.240 -0.900 6.127) 6.198 5.828 ( -5.706 -3.638 -4.372) 8.056 5.857 ( 9.293 -4.633 0.664) 10.405 5.977 ( 7.196 -7.760 -9.964) 14.535 6.675 ( -8.401 8.838 10.693) 16.218 6.894 ( -6.939 8.656 -11.680) 16.109 7.649 ( 6.966 -6.520 11.250) 14.751 7.884 ( 9.378 -4.507 -13.137) 16.759 8.706 ( -17.120 -11.615 4.693) 21.214 8.783 ( -15.626 -10.882 -3.365) 19.336 10.844 ( 17.331 11.510 4.702) 21.329 10.887 ( 16.993 11.472 0.126) 20.503 13.158 ( -8.638 1.600 25.136) 26.627 13.622 ( 1.216 4.049 -22.965) 23.351 16.723 ( 2.112 1.127 8.962) 9.276 16.855 ( 1.434 -0.612 -4.776) 5.024 18.643 ( 5.950 -2.012 8.794) 10.806 18.827 ( 9.604 -0.713 -10.109) 13.962 20.223 ( -10.445 -1.585 12.410) 16.297 20.430 ( -6.294 -0.055 -9.009) 10.990 21.130 ( 0.174 -0.332 1.052) 1.117 21.155 ( 0.470 -0.994 -1.584) 1.928 22.556 ( 0.968 0.589 -0.350) 1.186 22.570 ( 1.918 0.231 -1.841) 2.669 27.153 ( 2.869 1.357 1.570) 3.541 27.183 ( 2.471 0.870 -1.579) 3.059 29.589 ( -2.211 -1.029 3.152) 3.985 29.651 ( -0.715 -0.767 -3.263) 3.427 49.044 ( 8.507 -0.265 3.037) 9.037 49.121 ( 7.933 0.078 -4.990) 9.372 53.770 ( -1.256 1.906 4.182) 4.764 53.886 ( -3.757 2.418 -7.755) 8.950 54.243 ( -7.072 -2.022 8.273) 11.069 54.387 ( -9.434 -1.897 -6.579) 11.657 55.608 ( 5.788 -0.163 0.551) 5.817 55.622 ( 5.885 -0.572 -0.758) 5.961 ======================= Grid point 438 (142/150) ======================= q-point: (-0.44 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 4.643 4.109 13.955) 15.270 4.015 ( 8.035 3.678 -1.245) 8.924 4.411 ( -2.011 9.545 9.799) 13.826 4.689 ( -0.676 4.427 -15.275) 15.918 4.924 ( -7.986 -0.746 9.514) 12.444 5.085 ( -2.597 4.089 -6.408) 8.033 5.688 ( -2.217 3.624 3.381) 5.429 5.729 ( -8.196 1.967 -1.291) 8.527 6.103 ( 9.636 -6.426 3.282) 12.039 6.200 ( 7.681 -6.418 -6.922) 12.170 6.489 ( -5.271 1.535 9.136) 10.658 6.701 ( -5.314 5.530 -12.292) 14.489 7.825 ( 6.660 -2.744 11.956) 13.958 8.061 ( 8.084 -0.547 -12.533) 14.924 8.630 ( -14.533 -15.933 5.224) 22.189 8.718 ( -13.413 -15.195 -3.859) 20.632 10.891 ( 11.948 17.021 5.324) 21.466 10.949 ( 12.881 16.013 -0.793) 20.566 12.958 ( -10.681 4.044 29.366) 31.508 13.512 ( -4.059 8.020 -28.204) 29.602 16.737 ( 1.668 1.469 10.075) 10.317 16.890 ( 1.689 -0.578 -5.807) 6.075 18.826 ( 11.309 -3.611 10.496) 15.846 19.028 ( 12.517 -1.871 -10.362) 16.357 20.081 ( -11.151 -3.574 14.101) 18.329 20.326 ( -7.474 -1.465 -11.364) 13.680 21.137 ( 0.054 -0.493 1.868) 1.933 21.175 ( 0.419 -0.870 -2.095) 2.307 22.561 ( 0.893 0.899 0.657) 1.428 22.595 ( 1.686 0.570 -2.818) 3.333 27.159 ( 1.467 3.056 1.975) 3.923 27.197 ( 1.616 2.135 -2.050) 3.372 29.584 ( -1.149 -2.177 4.011) 4.706 29.662 ( -0.054 -1.709 -4.094) 4.437 49.208 ( 10.516 -0.438 2.522) 10.823 49.269 ( 9.770 -0.059 -3.818) 10.489 53.685 ( -5.120 2.388 2.082) 6.020 53.757 ( -7.213 2.447 -5.298) 9.278 54.181 ( -4.158 -1.998 5.229) 6.974 54.273 ( -7.363 -1.749 -4.131) 8.622 55.710 ( 5.818 -0.608 0.808) 5.905 55.732 ( 5.908 -1.115 -1.318) 6.155 ======================= Grid point 439 (143/150) ======================= q-point: (-0.33 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.826 ( 4.662 8.632 19.736) 22.040 3.995 ( -1.221 9.990 17.790) 20.439 4.233 ( -0.738 8.734 -9.091) 12.628 4.499 ( -8.207 7.598 -21.141) 23.917 4.963 ( 4.362 -4.672 7.610) 9.939 5.111 ( 6.079 -1.266 -5.752) 8.464 5.509 ( -10.441 6.586 3.721) 12.893 5.569 ( -5.003 6.040 -1.246) 7.942 6.239 ( 1.951 1.641 10.836) 11.132 6.386 ( 6.737 -5.239 -2.640) 8.933 6.515 ( 0.635 -8.760 -2.557) 9.148 6.581 ( -4.269 -0.515 -9.466) 10.397 7.934 ( 4.099 -1.021 10.931) 11.719 8.154 ( 5.046 2.506 -11.729) 13.012 8.669 ( -8.685 -18.480 5.906) 21.256 8.763 ( -7.818 -17.394 -3.767) 19.439 10.784 ( 6.027 20.728 6.235) 22.469 10.870 ( 6.737 19.968 -2.753) 21.253 12.738 ( -7.424 5.987 29.592) 31.091 13.311 ( -4.156 11.084 -30.006) 32.257 16.738 ( 0.854 1.392 11.544) 11.659 16.919 ( 1.071 -0.308 -7.202) 7.288 19.064 ( 10.144 -4.402 9.985) 14.899 19.247 ( 9.648 -2.765 -8.919) 13.427 19.975 ( -8.682 -5.543 15.183) 18.347 20.243 ( -5.779 -2.914 -12.679) 14.235 21.144 ( 0.006 -0.553 2.324) 2.388 21.190 ( 0.248 -0.496 -2.404) 2.467 22.559 ( 0.525 1.144 1.360) 1.853 22.607 ( 0.923 0.829 -3.548) 3.759 27.123 ( 0.371 4.331 2.814) 5.178 27.179 ( 0.580 3.242 -2.960) 4.428 29.608 ( -0.295 -3.029 4.345) 5.305 29.692 ( 0.270 -2.399 -4.400) 5.019 49.364 ( 7.180 -0.425 2.050) 7.479 49.409 ( 6.677 -0.032 -2.650) 7.184 53.574 ( -4.484 1.486 0.702) 4.776 53.623 ( -4.973 2.056 -4.471) 6.997 54.151 ( -2.382 -1.206 3.019) 4.031 54.199 ( -3.695 -0.759 -1.999) 4.269 55.800 ( 3.622 -1.125 1.127) 3.956 55.829 ( 3.582 -1.552 -1.652) 4.239 ======================= Grid point 440 (144/150) ======================= q-point: (-0.22 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.738 ( 0.000 11.987 22.491) 25.486 3.809 ( 0.000 9.891 28.410) 30.082 4.132 ( 0.000 8.556 -17.873) 19.815 4.327 ( 0.000 7.275 -25.377) 26.399 5.089 ( -0.000 -5.749 6.979) 9.042 5.241 ( 0.000 11.259 13.577) 17.638 5.264 ( -0.000 -4.961 -10.366) 11.492 5.423 ( 0.000 6.761 -5.255) 8.563 6.223 ( 0.000 1.347 11.458) 11.537 6.454 ( 0.000 3.506 -12.486) 12.969 6.593 ( -0.000 -9.635 4.371) 10.580 6.691 ( -0.000 -11.880 -5.267) 12.995 7.990 ( -0.000 -2.308 7.983) 8.310 8.160 ( 0.000 2.553 -9.449) 9.788 8.840 ( -0.000 -17.716 5.687) 18.607 8.922 ( -0.000 -16.206 -2.899) 16.463 10.545 ( 0.000 22.274 6.106) 23.096 10.641 ( 0.000 22.494 -3.934) 22.836 12.590 ( 0.000 6.417 26.405) 27.174 13.118 ( 0.000 12.107 -28.451) 30.920 16.729 ( 0.000 1.039 12.650) 12.692 16.930 ( -0.000 -0.040 -8.244) 8.244 19.215 ( -0.000 -4.305 8.697) 9.704 19.372 ( -0.000 -3.130 -7.593) 8.213 19.980 ( -0.000 -6.614 14.744) 16.159 20.237 ( -0.000 -3.617 -11.971) 12.505 21.151 ( -0.000 -0.432 2.258) 2.298 21.195 ( 0.000 0.034 -2.319) 2.319 22.548 ( 0.000 1.226 1.698) 2.094 22.603 ( 0.000 0.894 -3.964) 4.064 27.064 ( 0.000 4.657 3.646) 5.915 27.136 ( 0.000 3.569 -3.842) 5.244 29.648 ( -0.000 -3.187 4.130) 5.217 29.728 ( -0.000 -2.479 -4.160) 4.842 49.430 ( -0.000 -0.376 1.734) 1.774 49.465 ( 0.000 0.057 -1.962) 1.962 53.521 ( 0.000 0.865 -0.140) 0.877 53.556 ( 0.000 1.805 -3.872) 4.272 54.140 ( -0.000 -0.527 2.235) 2.296 54.177 ( -0.000 -0.379 -1.578) 1.623 55.848 ( -0.000 -1.379 1.442) 1.995 55.880 ( -0.000 -1.666 -1.756) 2.420 ======================= Grid point 445 (145/150) ======================= q-point: ( 0.33 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.796 ( 5.210 -0.000 8.718) 10.156 3.894 ( 11.825 -0.000 -0.609) 11.841 4.582 ( 8.433 -0.000 1.004) 8.493 4.605 ( 1.442 -0.000 -2.017) 2.479 5.239 ( -14.398 0.000 16.871) 22.179 5.517 ( -9.331 0.000 -12.338) 15.469 5.672 ( 3.969 -0.000 2.692) 4.796 5.685 ( 6.483 -0.000 2.888) 7.097 5.823 ( 3.147 -0.000 -3.658) 4.825 5.853 ( 5.212 -0.000 -7.479) 9.116 6.857 ( -13.197 0.000 9.708) 16.383 7.039 ( -9.721 0.000 -8.154) 12.688 7.514 ( 9.100 -0.000 11.109) 14.361 7.778 ( 11.292 -0.000 -15.608) 19.265 8.552 ( -16.050 0.000 5.269) 16.893 8.643 ( -13.964 0.000 -4.227) 14.589 11.001 ( 18.154 -0.000 5.031) 18.839 11.044 ( 16.874 -0.000 0.395) 16.878 13.180 ( -7.298 0.000 27.087) 28.053 13.677 ( 2.994 -0.000 -24.428) 24.611 16.742 ( 2.602 -0.000 7.494) 7.932 16.844 ( 1.147 -0.000 -3.217) 3.415 18.616 ( 5.227 -0.000 9.624) 10.952 18.817 ( 8.941 -0.000 -11.104) 14.256 20.203 ( -11.268 0.000 13.492) 17.579 20.431 ( -7.111 0.000 -10.150) 12.393 21.130 ( 0.555 -0.000 -0.088) 0.562 21.134 ( 0.132 -0.000 -0.514) 0.531 22.564 ( 0.979 -0.000 -0.601) 1.148 22.573 ( 2.192 -0.000 -1.515) 2.664 27.172 ( 3.830 -0.000 1.221) 4.020 27.195 ( 2.963 -0.000 -1.180) 3.189 29.575 ( -2.772 0.000 3.322) 4.326 29.641 ( -1.206 0.000 -3.453) 3.657 49.040 ( 8.409 -0.000 3.282) 9.027 49.122 ( 7.804 -0.000 -5.271) 9.418 53.800 ( -0.192 0.000 4.730) 4.734 53.923 ( -3.733 0.000 -7.707) 8.563 54.212 ( -7.272 0.000 7.892) 10.732 54.355 ( -9.979 0.000 -6.658) 11.996 55.607 ( 5.634 -0.000 0.161) 5.636 55.613 ( 5.604 -0.000 -0.431) 5.621 ======================= Grid point 446 (146/150) ======================= q-point: (-0.56 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.906 ( 8.907 1.360 13.023) 15.836 4.092 ( 13.178 1.788 -4.870) 14.163 4.571 ( -1.357 2.966 4.397) 5.475 4.684 ( -0.118 -2.502 -6.344) 6.821 4.960 ( -14.663 2.235 17.508) 22.946 5.262 ( -11.686 6.051 -13.785) 19.058 5.741 ( 1.052 -0.082 3.193) 3.363 5.791 ( 4.884 3.999 -0.778) 6.360 5.943 ( 8.600 -4.368 -1.061) 9.704 6.001 ( 7.155 -6.973 -7.119) 12.267 6.630 ( -9.072 5.650 12.420) 16.385 6.862 ( -7.662 4.502 -11.264) 14.347 7.700 ( 8.725 -4.948 13.317) 16.672 7.970 ( 8.137 -4.496 -14.517) 17.238 8.341 ( -14.324 -5.259 6.437) 16.561 8.464 ( -11.420 -3.709 -6.505) 13.656 11.214 ( 13.129 6.621 4.651) 15.422 11.244 ( 12.638 5.756 1.388) 13.956 13.036 ( -8.811 1.575 33.859) 35.022 13.663 ( -1.814 3.027 -31.322) 31.521 16.776 ( 2.246 1.131 7.160) 7.589 16.870 ( 1.406 -0.721 -2.747) 3.169 18.758 ( 10.696 -1.378 12.138) 16.236 18.994 ( 11.791 -0.690 -12.194) 16.976 20.016 ( -12.395 -1.232 16.111) 20.365 20.302 ( -8.663 -0.415 -13.563) 16.099 21.131 ( 0.069 0.149 0.688) 0.707 21.148 ( 0.317 -0.980 -1.069) 1.485 22.579 ( 1.007 0.361 0.415) 1.148 22.606 ( 1.948 0.234 -2.424) 3.118 27.218 ( 2.750 1.311 0.869) 3.168 27.235 ( 2.421 0.639 -0.857) 2.646 29.542 ( -1.952 -0.856 4.435) 4.921 29.628 ( -0.782 -0.691 -4.550) 4.668 49.200 ( 10.545 -0.161 2.877) 10.931 49.269 ( 9.721 0.007 -4.270) 10.618 53.747 ( -5.090 1.834 1.970) 5.758 53.802 ( -9.023 0.680 -3.121) 9.572 54.143 ( -2.546 -0.675 3.572) 4.438 54.223 ( -6.844 -1.485 -4.129) 8.130 55.700 ( 5.432 -0.165 0.104) 5.435 55.710 ( 5.538 -0.480 -0.821) 5.619 ======================= Grid point 447 (147/150) ======================= q-point: (-0.44 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.019 ( 10.034 5.605 16.570) 20.166 4.222 ( 7.466 6.832 1.979) 10.312 4.444 ( -5.830 6.475 2.702) 9.123 4.607 ( -9.407 -0.012 -6.938) 11.688 4.852 ( -0.561 -3.279 6.729) 7.506 5.074 ( -4.202 -0.338 -14.102) 14.719 5.692 ( -2.019 6.307 4.050) 7.763 5.750 ( 0.652 7.779 -1.350) 7.922 6.153 ( 6.986 -6.967 1.105) 9.928 6.219 ( 5.991 -8.314 -5.926) 11.837 6.439 ( -5.625 4.910 13.230) 15.192 6.695 ( -4.408 5.569 -13.046) 14.854 7.891 ( 6.746 -3.312 14.094) 15.973 8.142 ( 4.464 -5.578 -8.580) 11.165 8.255 ( -8.476 -10.943 2.181) 14.012 8.372 ( -8.944 -7.974 -7.512) 14.142 11.242 ( 6.596 12.903 5.575) 15.526 11.293 ( 6.970 11.204 0.256) 13.197 12.874 ( -6.091 3.872 36.410) 37.119 13.557 ( -2.636 6.836 -34.536) 35.304 16.783 ( 1.132 1.816 8.454) 8.721 16.902 ( 0.996 -0.943 -3.985) 4.214 18.965 ( 10.239 -2.787 12.001) 16.020 19.188 ( 9.301 -1.620 -10.992) 14.490 19.858 ( -9.955 -3.131 18.026) 20.829 20.184 ( -6.763 -1.513 -15.890) 17.336 21.132 ( -0.050 -0.271 1.658) 1.681 21.166 ( 0.170 -1.127 -1.915) 2.228 22.585 ( 0.620 0.724 1.135) 1.481 22.626 ( 1.113 0.556 -3.113) 3.352 27.222 ( 1.193 2.900 1.393) 3.431 27.249 ( 1.246 1.865 -1.438) 2.664 29.538 ( -0.862 -2.008 5.022) 5.477 29.636 ( -0.250 -1.648 -5.112) 5.377 49.355 ( 7.346 -0.257 2.422) 7.739 49.409 ( 6.776 -0.010 -3.187) 7.488 53.621 ( -5.621 1.899 1.117) 6.037 53.666 ( -5.925 0.936 -3.592) 6.991 54.124 ( -1.080 -0.606 2.444) 2.740 54.169 ( -2.822 -1.385 -2.003) 3.727 55.777 ( 3.271 -0.595 0.313) 3.339 55.793 ( 3.309 -1.023 -1.237) 3.677 ======================= Grid point 448 (148/150) ======================= q-point: (-0.33 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.047 ( 0.000 10.696 19.161) 21.944 4.079 ( 0.000 9.838 21.755) 23.876 4.353 ( 0.000 7.567 -11.504) 13.770 4.468 ( 0.000 2.904 -18.208) 18.438 4.927 ( -0.000 -6.196 5.982) 8.613 5.114 ( -0.000 -5.926 -12.398) 13.741 5.542 ( 0.000 10.888 7.171) 13.038 5.634 ( 0.000 8.893 -2.343) 9.197 6.307 ( 0.000 5.066 14.500) 15.359 6.334 ( -0.000 -9.342 1.360) 9.441 6.402 ( -0.000 -9.949 -5.374) 11.307 6.581 ( 0.000 5.729 -14.009) 15.135 7.962 ( -0.000 -0.155 13.763) 13.764 8.234 ( 0.000 2.495 -14.484) 14.698 8.348 ( -0.000 -18.119 7.064) 19.447 8.467 ( -0.000 -17.025 -5.279) 17.825 11.091 ( 0.000 17.734 6.422) 18.861 11.167 ( 0.000 16.266 -1.579) 16.342 12.758 ( 0.000 5.671 34.809) 35.268 13.420 ( 0.000 9.904 -34.046) 35.458 16.767 ( 0.000 1.803 10.222) 10.379 16.922 ( -0.000 -0.664 -5.795) 5.833 19.104 ( -0.000 -3.706 10.620) 11.248 19.297 ( -0.000 -2.370 -9.380) 9.675 19.821 ( -0.000 -4.971 18.325) 18.987 20.152 ( -0.000 -2.603 -16.031) 16.241 21.137 ( -0.000 -0.543 2.268) 2.332 21.182 ( -0.000 -0.966 -2.401) 2.588 22.578 ( 0.000 1.015 1.431) 1.754 22.626 ( 0.000 0.799 -3.476) 3.566 27.184 ( 0.000 4.060 2.147) 4.593 27.226 ( 0.000 2.938 -2.251) 3.701 29.565 ( -0.000 -2.865 4.981) 5.747 29.661 ( -0.000 -2.337 -5.051) 5.565 49.420 ( -0.000 -0.295 2.152) 2.172 49.466 ( 0.000 0.014 -2.584) 2.584 53.551 ( 0.000 1.415 0.909) 1.682 53.601 ( 0.000 1.344 -4.404) 4.604 54.122 ( -0.000 -0.609 2.471) 2.544 54.161 ( -0.000 -0.888 -1.451) 1.701 55.815 ( -0.000 -1.008 0.658) 1.204 55.837 ( -0.000 -1.448 -1.496) 2.082 ======================= Grid point 455 (149/150) ======================= q-point: ( 0.44 -0.56 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.098 ( 12.928 -0.000 15.923) 20.510 4.329 ( 13.079 -0.000 -7.232) 14.945 4.545 ( -2.950 0.000 3.138) 4.307 4.564 ( -12.992 0.000 5.983) 14.303 4.805 ( -4.381 0.000 7.168) 8.401 5.080 ( -12.733 0.000 -17.439) 21.593 5.801 ( 2.975 -0.000 6.642) 7.278 5.939 ( 4.562 -0.000 -5.807) 7.384 6.013 ( 5.247 -0.000 -0.835) 5.313 6.038 ( 5.328 -0.000 -5.034) 7.330 6.542 ( -6.038 0.000 13.746) 15.013 6.782 ( -5.188 0.000 -11.079) 12.234 7.802 ( 8.190 -0.000 12.366) 14.832 8.024 ( 2.823 -0.000 -10.470) 10.844 8.102 ( -11.145 0.000 9.649) 14.741 8.318 ( -4.573 0.000 -12.999) 13.780 11.426 ( 7.192 -0.000 3.951) 8.206 11.436 ( 6.555 -0.000 2.802) 7.129 12.928 ( -5.575 0.000 38.943) 39.340 13.650 ( -2.037 0.000 -36.180) 36.237 16.815 ( 1.413 -0.000 5.837) 6.005 16.882 ( 0.805 -0.000 -1.250) 1.487 18.927 ( 10.272 -0.000 12.774) 16.392 19.166 ( 9.176 -0.000 -11.901) 15.028 19.816 ( -10.447 0.000 19.144) 21.809 20.164 ( -7.164 0.000 -17.076) 18.518 21.132 ( -0.134 0.000 0.393) 0.415 21.144 ( 0.222 -0.000 -0.797) 0.827 22.595 ( 0.644 -0.000 1.066) 1.246 22.634 ( 1.181 -0.000 -2.955) 3.182 27.266 ( 1.680 -0.000 0.224) 1.694 27.270 ( 1.384 -0.000 -0.218) 1.401 29.510 ( -1.107 0.000 5.265) 5.381 29.613 ( -0.473 0.000 -5.370) 5.391 49.351 ( 7.406 -0.000 2.564) 7.837 49.408 ( 6.785 -0.000 -3.395) 7.586 53.659 ( -7.269 0.000 0.087) 7.270 53.668 ( -5.455 0.000 -1.349) 5.620 54.121 ( -0.456 0.000 0.663) 0.805 54.143 ( -2.228 0.000 -1.166) 2.514 55.769 ( 3.138 -0.000 -0.117) 3.140 55.779 ( 3.213 -0.000 -0.941) 3.348 ======================= Grid point 457 (150/150) ======================= q-point: (-0.44 0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.272 ( 0.000 5.478 19.841) 20.583 4.297 ( 0.000 5.864 11.983) 13.341 4.481 ( -0.000 -1.385 -6.841) 6.980 4.495 ( 0.000 2.489 -2.465) 3.503 4.795 ( -0.000 -2.823 1.087) 3.025 4.979 ( -0.000 -3.473 -16.983) 17.335 5.781 ( 0.000 6.230 5.697) 8.442 5.881 ( 0.000 9.390 -3.720) 10.100 6.126 ( -0.000 -5.759 -1.762) 6.022 6.153 ( -0.000 -8.857 -4.701) 10.027 6.456 ( 0.000 4.598 14.907) 15.600 6.716 ( 0.000 3.300 -12.129) 12.570 7.965 ( 0.000 0.152 16.076) 16.077 7.971 ( -0.000 -8.435 6.704) 10.775 8.101 ( -0.000 -8.674 -6.767) 11.001 8.280 ( 0.000 0.866 -16.776) 16.798 11.431 ( 0.000 7.308 4.810) 8.749 11.459 ( 0.000 5.284 1.858) 5.601 12.866 ( 0.000 2.207 39.797) 39.858 13.607 ( 0.000 3.772 -37.238) 37.428 16.816 ( 0.000 1.522 6.572) 6.746 16.897 ( -0.000 -1.001 -1.965) 2.206 19.034 ( -0.000 -1.420 11.874) 11.959 19.253 ( -0.000 -0.872 -10.853) 10.888 19.730 ( -0.000 -1.775 20.568) 20.645 20.105 ( -0.000 -0.881 -18.415) 18.436 21.130 ( 0.000 0.077 1.022) 1.025 21.153 ( -0.000 -0.936 -1.394) 1.679 22.598 ( 0.000 0.389 1.323) 1.379 22.641 ( 0.000 0.319 -3.199) 3.215 27.265 ( 0.000 1.871 0.708) 2.000 27.279 ( 0.000 0.836 -0.725) 1.107 29.509 ( -0.000 -1.153 5.473) 5.593 29.615 ( -0.000 -0.961 -5.568) 5.650 49.415 ( -0.000 -0.111 2.379) 2.381 49.466 ( 0.000 0.000 -2.944) 2.944 53.589 ( 0.000 1.123 0.680) 1.313 53.620 ( 0.000 0.076 -2.779) 2.780 54.115 ( 0.000 0.135 0.987) 0.996 54.135 ( -0.000 -0.906 -0.811) 1.216 55.797 ( -0.000 -0.319 -0.021) 0.319 55.809 ( -0.000 -0.594 -1.108) 1.257 =================== 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 3/37422 10.0 1034.721 777.786 697.206 0.000 0.000 0.000 3/37422 20.0 680.593 669.266 915.796 0.000 0.000 0.000 3/37422 30.0 322.029 365.639 467.814 0.000 0.000 0.000 3/37422 40.0 171.429 206.266 250.206 0.000 0.000 0.000 3/37422 50.0 105.952 130.303 156.860 0.000 0.000 0.000 3/37422 60.0 72.924 90.206 109.920 0.000 0.000 0.000 3/37422 70.0 54.092 66.826 82.813 0.000 0.000 0.000 3/37422 80.0 42.365 52.113 65.615 0.000 0.000 0.000 3/37422 90.0 34.550 42.275 53.934 0.000 0.000 0.000 3/37422 100.0 29.050 35.355 45.567 0.000 0.000 0.000 3/37422 110.0 25.001 30.277 39.314 0.000 0.000 0.000 3/37422 120.0 21.907 26.414 34.478 0.000 0.000 0.000 3/37422 130.0 19.472 23.388 30.634 0.000 0.000 0.000 3/37422 140.0 17.505 20.959 27.509 0.000 0.000 0.000 3/37422 150.0 15.886 18.967 24.924 0.000 0.000 0.000 3/37422 160.0 14.530 17.306 22.752 0.000 0.000 0.000 3/37422 170.0 13.378 15.900 20.906 0.000 0.000 0.000 3/37422 180.0 12.388 14.696 19.319 0.000 0.000 0.000 3/37422 190.0 11.528 13.654 17.943 0.000 0.000 0.000 3/37422 200.0 10.776 12.744 16.739 0.000 0.000 0.000 3/37422 210.0 10.113 11.943 15.679 0.000 0.000 0.000 3/37422 220.0 9.524 11.234 14.740 0.000 0.000 0.000 3/37422 230.0 8.998 10.601 13.903 0.000 0.000 0.000 3/37422 240.0 8.525 10.033 13.153 0.000 0.000 0.000 3/37422 250.0 8.099 9.522 12.477 0.000 0.000 0.000 3/37422 260.0 7.713 9.059 11.866 0.000 0.000 0.000 3/37422 270.0 7.361 8.638 11.311 0.000 0.000 0.000 3/37422 280.0 7.040 8.254 10.806 0.000 0.000 0.000 3/37422 290.0 6.746 7.902 10.343 0.000 0.000 0.000 3/37422 300.0 6.475 7.579 9.918 0.000 0.000 0.000 3/37422 310.0 6.225 7.281 9.526 0.000 0.000 0.000 3/37422 320.0 5.994 7.006 9.165 0.000 0.000 0.000 3/37422 330.0 5.780 6.751 8.830 0.000 0.000 0.000 3/37422 340.0 5.580 6.514 8.519 0.000 0.000 0.000 3/37422 350.0 5.394 6.293 8.229 0.000 0.000 0.000 3/37422 360.0 5.221 6.087 7.959 0.000 0.000 0.000 3/37422 370.0 5.058 5.894 7.706 0.000 0.000 0.000 3/37422 380.0 4.905 5.713 7.470 0.000 0.000 0.000 3/37422 390.0 4.762 5.543 7.247 0.000 0.000 0.000 3/37422 400.0 4.627 5.383 7.038 0.000 0.000 0.000 3/37422 410.0 4.499 5.232 6.841 0.000 0.000 0.000 3/37422 420.0 4.379 5.090 6.654 0.000 0.000 0.000 3/37422 430.0 4.265 4.955 6.478 0.000 0.000 0.000 3/37422 440.0 4.157 4.828 6.312 0.000 0.000 0.000 3/37422 450.0 4.055 4.707 6.153 0.000 0.000 0.000 3/37422 460.0 3.957 4.592 6.003 0.000 0.000 0.000 3/37422 470.0 3.864 4.482 5.860 0.000 0.000 0.000 3/37422 480.0 3.776 4.378 5.724 0.000 0.000 0.000 3/37422 490.0 3.692 4.279 5.595 0.000 0.000 0.000 3/37422 500.0 3.611 4.184 5.471 0.000 0.000 0.000 3/37422 510.0 3.535 4.094 5.353 0.000 0.000 0.000 3/37422 520.0 3.461 4.007 5.240 0.000 0.000 0.000 3/37422 530.0 3.391 3.924 5.132 0.000 0.000 0.000 3/37422 540.0 3.323 3.844 5.028 0.000 0.000 0.000 3/37422 550.0 3.258 3.768 4.928 0.000 0.000 0.000 3/37422 560.0 3.196 3.695 4.833 0.000 0.000 0.000 3/37422 570.0 3.136 3.625 4.741 0.000 0.000 0.000 3/37422 580.0 3.079 3.557 4.653 0.000 0.000 0.000 3/37422 590.0 3.023 3.492 4.568 0.000 0.000 0.000 3/37422 600.0 2.970 3.429 4.487 0.000 0.000 0.000 3/37422 610.0 2.918 3.369 4.408 0.000 0.000 0.000 3/37422 620.0 2.869 3.310 4.332 0.000 0.000 0.000 3/37422 630.0 2.821 3.254 4.258 0.000 0.000 0.000 3/37422 640.0 2.774 3.200 4.188 0.000 0.000 0.000 3/37422 650.0 2.730 3.147 4.119 0.000 0.000 0.000 3/37422 660.0 2.686 3.097 4.053 0.000 0.000 0.000 3/37422 670.0 2.644 3.047 3.989 0.000 0.000 0.000 3/37422 680.0 2.604 3.000 3.927 0.000 0.000 0.000 3/37422 690.0 2.565 2.954 3.867 0.000 0.000 0.000 3/37422 700.0 2.527 2.909 3.809 0.000 0.000 0.000 3/37422 710.0 2.490 2.866 3.753 0.000 0.000 0.000 3/37422 720.0 2.454 2.824 3.698 0.000 0.000 0.000 3/37422 730.0 2.419 2.783 3.645 0.000 0.000 0.000 3/37422 740.0 2.385 2.744 3.594 0.000 0.000 0.000 3/37422 750.0 2.352 2.705 3.544 0.000 0.000 0.000 3/37422 760.0 2.320 2.668 3.495 0.000 0.000 0.000 3/37422 770.0 2.289 2.632 3.448 0.000 0.000 0.000 3/37422 780.0 2.259 2.596 3.402 0.000 0.000 0.000 3/37422 790.0 2.230 2.562 3.357 0.000 0.000 0.000 3/37422 800.0 2.201 2.529 3.313 0.000 0.000 0.000 3/37422 810.0 2.173 2.496 3.271 0.000 0.000 0.000 3/37422 820.0 2.146 2.464 3.230 0.000 0.000 0.000 3/37422 830.0 2.120 2.434 3.190 0.000 0.000 0.000 3/37422 840.0 2.094 2.403 3.150 0.000 0.000 0.000 3/37422 850.0 2.069 2.374 3.112 0.000 0.000 0.000 3/37422 860.0 2.044 2.345 3.075 0.000 0.000 0.000 3/37422 870.0 2.020 2.318 3.038 0.000 0.000 0.000 3/37422 880.0 1.997 2.290 3.003 0.000 0.000 0.000 3/37422 890.0 1.974 2.264 2.968 0.000 0.000 0.000 3/37422 900.0 1.952 2.238 2.934 0.000 0.000 0.000 3/37422 910.0 1.930 2.212 2.901 0.000 0.000 0.000 3/37422 920.0 1.909 2.187 2.869 0.000 0.000 0.000 3/37422 930.0 1.888 2.163 2.837 0.000 0.000 0.000 3/37422 940.0 1.868 2.139 2.807 0.000 0.000 0.000 3/37422 950.0 1.848 2.116 2.776 0.000 0.000 0.000 3/37422 960.0 1.828 2.094 2.747 0.000 0.000 0.000 3/37422 970.0 1.809 2.071 2.718 0.000 0.000 0.000 3/37422 980.0 1.790 2.050 2.690 0.000 0.000 0.000 3/37422 990.0 1.772 2.028 2.662 0.000 0.000 0.000 3/37422 1000.0 1.754 2.008 2.635 0.000 0.000 0.000 3/37422 Thermal conductivity related properties were written into "kappa-m9911.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:09:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|