----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:23:19]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.966106125000000 3.073088120000000 4.263170580000000 b 2.966106125000000 -3.073088120000000 4.263170580000000 c 2.966106125000000 3.073088120000000 -4.263170580000000 Atomic positions (fractional): *1 Mg 0.60594798202184 0.85594798202184 0.75000000000000 24.305 2 Mg 0.39405201797816 0.14405201797816 0.25000000000000 24.305 *3 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 4 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 *5 O 0.24858976294380 0.27449440237758 0.52590463943378 15.999 6 O 0.24858976294380 0.72268512351003 0.97409536056622 15.999 *7 O 0.24193569967014 0.26259105784672 0.97934464182342 15.999 8 O 0.78324641602330 0.26259105784672 0.52065535817658 15.999 9 O 0.21675358397670 0.73740894215328 0.47934464182342 15.999 10 O 0.75141023705620 0.27731487648998 0.02590463943378 15.999 11 O 0.75806430032986 0.73740894215328 0.02065535817658 15.999 12 O 0.75141023705620 0.72550559762242 0.47409536056622 15.999 *13 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 14 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.932212250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.146176239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.526341159999999 Atomic positions (fractional): *1 Mg 0.00000000000000 0.75000000000000 0.85594798202184 24.305 > 1 2 Mg 0.00000000000000 0.25000000000000 0.14405201797816 24.305 > 2 *3 Mg 0.75000000000000 0.75000000000000 0.25000000000000 24.305 > 3 4 Mg 0.25000000000000 0.75000000000000 0.25000000000000 24.305 > 4 5 Mg 0.50000000000000 0.25000000000000 0.35594798202184 24.305 > 1 6 Mg 0.50000000000000 0.75000000000000 0.64405201797816 24.305 > 2 7 Mg 0.25000000000000 0.25000000000000 0.75000000000000 24.305 > 3 8 Mg 0.75000000000000 0.25000000000000 0.75000000000000 24.305 > 4 *9 O 0.27590463943378 0.25000000000000 0.99858976294380 15.999 > 5 10 O 0.72409536056622 0.25000000000000 0.99858976294380 15.999 > 6 *11 O 0.50000000000000 0.47934464182342 0.76259105784672 15.999 > 7 12 O 0.00000000000000 0.52065535817658 0.26259105784672 15.999 > 8 13 O 0.00000000000000 0.47934464182342 0.73740894215328 15.999 > 9 14 O 0.27590463943378 0.75000000000000 0.00141023705620 15.999 > 10 15 O 0.50000000000000 0.52065535817658 0.23740894215328 15.999 > 11 16 O 0.72409536056622 0.75000000000000 0.00141023705620 15.999 > 12 17 O 0.77590463943378 0.75000000000000 0.49858976294380 15.999 > 5 18 O 0.22409536056622 0.75000000000000 0.49858976294380 15.999 > 6 19 O 0.00000000000000 0.97934464182342 0.26259105784672 15.999 > 7 20 O 0.50000000000000 0.02065535817658 0.76259105784672 15.999 > 8 21 O 0.50000000000000 0.97934464182342 0.23740894215328 15.999 > 9 22 O 0.77590463943378 0.25000000000000 0.50141023705620 15.999 > 10 23 O 0.00000000000000 0.02065535817658 0.73740894215328 15.999 > 11 24 O 0.22409536056622 0.25000000000000 0.50141023705620 15.999 > 12 *25 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 13 26 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 14 27 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 13 28 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.864424500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.292352479999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.526341159999999 Atomic positions (fractional): *1 Mg 0.00000000000000 0.37500000000000 0.85594798202184 24.305 > 1 2 Mg 0.50000000000000 0.37500000000000 0.85594798202184 24.305 > 1 3 Mg 0.00000000000000 0.87500000000000 0.85594798202184 24.305 > 1 4 Mg 0.50000000000000 0.87500000000000 0.85594798202184 24.305 > 1 5 Mg 0.00000000000000 0.12500000000000 0.14405201797816 24.305 > 2 6 Mg 0.50000000000000 0.12500000000000 0.14405201797816 24.305 > 2 7 Mg 0.00000000000000 0.62500000000000 0.14405201797816 24.305 > 2 8 Mg 0.50000000000000 0.62500000000000 0.14405201797816 24.305 > 2 *9 Mg 0.37500000000000 0.37500000000000 0.25000000000000 24.305 > 3 10 Mg 0.87500000000000 0.37500000000000 0.25000000000000 24.305 > 3 11 Mg 0.37500000000000 0.87500000000000 0.25000000000000 24.305 > 3 12 Mg 0.87500000000000 0.87500000000000 0.25000000000000 24.305 > 3 13 Mg 0.12500000000000 0.37500000000000 0.25000000000000 24.305 > 4 14 Mg 0.62500000000000 0.37500000000000 0.25000000000000 24.305 > 4 15 Mg 0.12500000000000 0.87500000000000 0.25000000000000 24.305 > 4 16 Mg 0.62500000000000 0.87500000000000 0.25000000000000 24.305 > 4 17 Mg 0.25000000000000 0.12500000000000 0.35594798202184 24.305 > 1 18 Mg 0.75000000000000 0.12500000000000 0.35594798202184 24.305 > 1 19 Mg 0.25000000000000 0.62500000000000 0.35594798202184 24.305 > 1 20 Mg 0.75000000000000 0.62500000000000 0.35594798202184 24.305 > 1 21 Mg 0.25000000000000 0.37500000000000 0.64405201797816 24.305 > 2 22 Mg 0.75000000000000 0.37500000000000 0.64405201797816 24.305 > 2 23 Mg 0.25000000000000 0.87500000000000 0.64405201797816 24.305 > 2 24 Mg 0.75000000000000 0.87500000000000 0.64405201797816 24.305 > 2 25 Mg 0.12500000000000 0.12500000000000 0.75000000000000 24.305 > 3 26 Mg 0.62500000000000 0.12500000000000 0.75000000000000 24.305 > 3 27 Mg 0.12500000000000 0.62500000000000 0.75000000000000 24.305 > 3 28 Mg 0.62500000000000 0.62500000000000 0.75000000000000 24.305 > 3 29 Mg 0.37500000000000 0.12500000000000 0.75000000000000 24.305 > 4 30 Mg 0.87500000000000 0.12500000000000 0.75000000000000 24.305 > 4 31 Mg 0.37500000000000 0.62500000000000 0.75000000000000 24.305 > 4 32 Mg 0.87500000000000 0.62500000000000 0.75000000000000 24.305 > 4 *33 O 0.13795231971689 0.12500000000000 0.99858976294380 15.999 > 5 34 O 0.63795231971689 0.12500000000000 0.99858976294380 15.999 > 5 35 O 0.13795231971689 0.62500000000000 0.99858976294380 15.999 > 5 36 O 0.63795231971689 0.62500000000000 0.99858976294380 15.999 > 5 37 O 0.36204768028311 0.12500000000000 0.99858976294380 15.999 > 6 38 O 0.86204768028311 0.12500000000000 0.99858976294380 15.999 > 6 39 O 0.36204768028311 0.62500000000000 0.99858976294380 15.999 > 6 40 O 0.86204768028311 0.62500000000000 0.99858976294380 15.999 > 6 *41 O 0.25000000000000 0.23967232091171 0.76259105784672 15.999 > 7 42 O 0.75000000000000 0.23967232091171 0.76259105784672 15.999 > 7 43 O 0.25000000000000 0.73967232091171 0.76259105784672 15.999 > 7 44 O 0.75000000000000 0.73967232091171 0.76259105784672 15.999 > 7 45 O 0.00000000000000 0.26032767908829 0.26259105784672 15.999 > 8 46 O 0.50000000000000 0.26032767908829 0.26259105784672 15.999 > 8 47 O 0.00000000000000 0.76032767908829 0.26259105784672 15.999 > 8 48 O 0.50000000000000 0.76032767908829 0.26259105784672 15.999 > 8 49 O 0.00000000000000 0.23967232091171 0.73740894215328 15.999 > 9 50 O 0.50000000000000 0.23967232091171 0.73740894215328 15.999 > 9 51 O 0.00000000000000 0.73967232091171 0.73740894215328 15.999 > 9 52 O 0.50000000000000 0.73967232091171 0.73740894215328 15.999 > 9 53 O 0.13795231971689 0.37500000000000 0.00141023705620 15.999 > 10 54 O 0.63795231971689 0.37500000000000 0.00141023705620 15.999 > 10 55 O 0.13795231971689 0.87500000000000 0.00141023705620 15.999 > 10 56 O 0.63795231971689 0.87500000000000 0.00141023705620 15.999 > 10 57 O 0.25000000000000 0.26032767908829 0.23740894215328 15.999 > 11 58 O 0.75000000000000 0.26032767908829 0.23740894215328 15.999 > 11 59 O 0.25000000000000 0.76032767908829 0.23740894215328 15.999 > 11 60 O 0.75000000000000 0.76032767908829 0.23740894215328 15.999 > 11 61 O 0.36204768028311 0.37500000000000 0.00141023705620 15.999 > 12 62 O 0.86204768028311 0.37500000000000 0.00141023705620 15.999 > 12 63 O 0.36204768028311 0.87500000000000 0.00141023705620 15.999 > 12 64 O 0.86204768028311 0.87500000000000 0.00141023705620 15.999 > 12 65 O 0.38795231971689 0.37500000000000 0.49858976294380 15.999 > 5 66 O 0.88795231971689 0.37500000000000 0.49858976294380 15.999 > 5 67 O 0.38795231971689 0.87500000000000 0.49858976294380 15.999 > 5 68 O 0.88795231971689 0.87500000000000 0.49858976294380 15.999 > 5 69 O 0.11204768028311 0.37500000000000 0.49858976294380 15.999 > 6 70 O 0.61204768028311 0.37500000000000 0.49858976294380 15.999 > 6 71 O 0.11204768028311 0.87500000000000 0.49858976294380 15.999 > 6 72 O 0.61204768028311 0.87500000000000 0.49858976294380 15.999 > 6 73 O 0.00000000000000 0.48967232091171 0.26259105784672 15.999 > 7 74 O 0.50000000000000 0.48967232091171 0.26259105784672 15.999 > 7 75 O 0.00000000000000 0.98967232091171 0.26259105784672 15.999 > 7 76 O 0.50000000000000 0.98967232091171 0.26259105784672 15.999 > 7 77 O 0.25000000000000 0.01032767908829 0.76259105784672 15.999 > 8 78 O 0.75000000000000 0.01032767908829 0.76259105784672 15.999 > 8 79 O 0.25000000000000 0.51032767908829 0.76259105784672 15.999 > 8 80 O 0.75000000000000 0.51032767908829 0.76259105784672 15.999 > 8 81 O 0.25000000000000 0.48967232091171 0.23740894215328 15.999 > 9 82 O 0.75000000000000 0.48967232091171 0.23740894215328 15.999 > 9 83 O 0.25000000000000 0.98967232091171 0.23740894215328 15.999 > 9 84 O 0.75000000000000 0.98967232091171 0.23740894215328 15.999 > 9 85 O 0.38795231971689 0.12500000000000 0.50141023705620 15.999 > 10 86 O 0.88795231971689 0.12500000000000 0.50141023705620 15.999 > 10 87 O 0.38795231971689 0.62500000000000 0.50141023705620 15.999 > 10 88 O 0.88795231971689 0.62500000000000 0.50141023705620 15.999 > 10 89 O 0.00000000000000 0.01032767908829 0.73740894215328 15.999 > 11 90 O 0.50000000000000 0.01032767908829 0.73740894215328 15.999 > 11 91 O 0.00000000000000 0.51032767908829 0.73740894215328 15.999 > 11 92 O 0.50000000000000 0.51032767908829 0.73740894215328 15.999 > 11 93 O 0.11204768028311 0.12500000000000 0.50141023705620 15.999 > 12 94 O 0.61204768028311 0.12500000000000 0.50141023705620 15.999 > 12 95 O 0.11204768028311 0.62500000000000 0.50141023705620 15.999 > 12 96 O 0.61204768028311 0.62500000000000 0.50141023705620 15.999 > 12 *97 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 13 98 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 13 99 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 13 100 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 13 101 Pt 0.25000000000000 0.00000000000000 0.00000000000000 195.084 > 14 102 Pt 0.75000000000000 0.00000000000000 0.00000000000000 195.084 > 14 103 Pt 0.25000000000000 0.50000000000000 0.00000000000000 195.084 > 14 104 Pt 0.75000000000000 0.50000000000000 0.00000000000000 195.084 > 14 105 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 13 106 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 13 107 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 13 108 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 13 109 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 14 110 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 14 111 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 14 112 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7529331 0.0000000 0.0000000 0.0000000 5.5459364 0.0000000 0.0000000 0.0000000 4.4904416 -------------------------- Born effective charges -------------------------- 1 Mg 2.5544693 0.0000000 0.0000000 0.0000000 1.7164729 0.0000000 0.0000000 0.0000000 2.3077769 2 Mg 2.5544693 0.0000000 0.0000000 0.0000000 1.7164729 0.0000000 0.0000000 0.0000000 2.3077769 3 Mg 1.9814331 0.0000000 0.7611398 0.0000000 1.9650299 0.0000000 1.1692019 0.0000000 1.8879601 4 Mg 1.9814331 0.0000000 -0.7611398 0.0000000 1.9650299 0.0000000 -1.1692019 0.0000000 1.8879601 5 O -1.6309231 0.0000000 0.1498976 0.0000000 -2.4207424 0.0000000 -0.0167267 0.0000000 -0.8079946 6 O -1.6309231 0.0000000 -0.1498976 0.0000000 -2.4207424 0.0000000 0.0167267 0.0000000 -0.8079946 7 O -1.2452071 0.0000000 0.0000000 0.0000000 -1.3433370 -0.1044490 0.0000000 0.1008765 -2.3895329 8 O -1.2452071 0.0000000 0.0000000 0.0000000 -1.3433370 0.1044490 0.0000000 -0.1008765 -2.3895329 9 O -1.2452071 0.0000000 0.0000000 0.0000000 -1.3433370 0.1044490 0.0000000 -0.1008765 -2.3895329 10 O -1.6309231 0.0000000 -0.1498976 0.0000000 -2.4207424 0.0000000 0.0167267 0.0000000 -0.8079946 11 O -1.2452071 0.0000000 0.0000000 0.0000000 -1.3433370 -0.1044490 0.0000000 0.1008765 -2.3895329 12 O -1.6309231 0.0000000 0.1498976 0.0000000 -2.4207424 0.0000000 -0.0167267 0.0000000 -0.8079946 13 Pt 1.2163579 0.0000000 0.0000000 0.0000000 3.8466558 0.0728917 0.0000000 0.1615970 2.1993180 14 Pt 1.2163579 0.0000000 0.0000000 0.0000000 3.8466558 -0.0728917 0.0000000 -0.1615970 2.1993180 ---------------------------------------------------------------------------- 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: 1020 Number of blocks in projector: 1020 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: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 240 - Time: 1.068 Solver_block: 200 / 240 - Time: 1.081 Solver_block: 240 / 240 - Time: 0.522 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.717 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 1020 Number of blocks in projector: 1020 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: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:23:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:23:37]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.966106125000000 3.073088120000000 4.263170580000000 b 2.966106125000000 -3.073088120000000 4.263170580000000 c 2.966106125000000 3.073088120000000 -4.263170580000000 Atomic positions (fractional): 1 Mg 0.60594798202184 0.85594798202184 0.75000000000000 24.305 2 Mg 0.39405201797816 0.14405201797816 0.25000000000000 24.305 3 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 4 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 5 O 0.24858976294380 0.27449440237758 0.52590463943378 15.999 6 O 0.24858976294380 0.72268512351003 0.97409536056622 15.999 7 O 0.24193569967014 0.26259105784672 0.97934464182342 15.999 8 O 0.78324641602330 0.26259105784672 0.52065535817658 15.999 9 O 0.21675358397670 0.73740894215328 0.47934464182342 15.999 10 O 0.75141023705620 0.27731487648998 0.02590463943378 15.999 11 O 0.75806430032986 0.73740894215328 0.02065535817658 15.999 12 O 0.75141023705620 0.72550559762242 0.47409536056622 15.999 13 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 14 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.864424500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.292352479999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.526341159999999 Atomic positions (fractional): 1 Mg 0.00000000000000 0.37500000000000 0.85594798202184 24.305 > 1 2 Mg 0.50000000000000 0.37500000000000 0.85594798202184 24.305 > 1 3 Mg 0.00000000000000 0.87500000000000 0.85594798202184 24.305 > 1 4 Mg 0.50000000000000 0.87500000000000 0.85594798202184 24.305 > 1 5 Mg 0.00000000000000 0.12500000000000 0.14405201797816 24.305 > 5 6 Mg 0.50000000000000 0.12500000000000 0.14405201797816 24.305 > 5 7 Mg 0.00000000000000 0.62500000000000 0.14405201797816 24.305 > 5 8 Mg 0.50000000000000 0.62500000000000 0.14405201797816 24.305 > 5 9 Mg 0.37500000000000 0.37500000000000 0.25000000000000 24.305 > 9 10 Mg 0.87500000000000 0.37500000000000 0.25000000000000 24.305 > 9 11 Mg 0.37500000000000 0.87500000000000 0.25000000000000 24.305 > 9 12 Mg 0.87500000000000 0.87500000000000 0.25000000000000 24.305 > 9 13 Mg 0.12500000000000 0.37500000000000 0.25000000000000 24.305 > 13 14 Mg 0.62500000000000 0.37500000000000 0.25000000000000 24.305 > 13 15 Mg 0.12500000000000 0.87500000000000 0.25000000000000 24.305 > 13 16 Mg 0.62500000000000 0.87500000000000 0.25000000000000 24.305 > 13 17 Mg 0.25000000000000 0.12500000000000 0.35594798202184 24.305 > 1 18 Mg 0.75000000000000 0.12500000000000 0.35594798202184 24.305 > 1 19 Mg 0.25000000000000 0.62500000000000 0.35594798202184 24.305 > 1 20 Mg 0.75000000000000 0.62500000000000 0.35594798202184 24.305 > 1 21 Mg 0.25000000000000 0.37500000000000 0.64405201797816 24.305 > 5 22 Mg 0.75000000000000 0.37500000000000 0.64405201797816 24.305 > 5 23 Mg 0.25000000000000 0.87500000000000 0.64405201797816 24.305 > 5 24 Mg 0.75000000000000 0.87500000000000 0.64405201797816 24.305 > 5 25 Mg 0.12500000000000 0.12500000000000 0.75000000000000 24.305 > 9 26 Mg 0.62500000000000 0.12500000000000 0.75000000000000 24.305 > 9 27 Mg 0.12500000000000 0.62500000000000 0.75000000000000 24.305 > 9 28 Mg 0.62500000000000 0.62500000000000 0.75000000000000 24.305 > 9 29 Mg 0.37500000000000 0.12500000000000 0.75000000000000 24.305 > 13 30 Mg 0.87500000000000 0.12500000000000 0.75000000000000 24.305 > 13 31 Mg 0.37500000000000 0.62500000000000 0.75000000000000 24.305 > 13 32 Mg 0.87500000000000 0.62500000000000 0.75000000000000 24.305 > 13 33 O 0.13795231971689 0.12500000000000 0.99858976294380 15.999 > 33 34 O 0.63795231971689 0.12500000000000 0.99858976294380 15.999 > 33 35 O 0.13795231971689 0.62500000000000 0.99858976294380 15.999 > 33 36 O 0.63795231971689 0.62500000000000 0.99858976294380 15.999 > 33 37 O 0.36204768028311 0.12500000000000 0.99858976294380 15.999 > 37 38 O 0.86204768028311 0.12500000000000 0.99858976294380 15.999 > 37 39 O 0.36204768028311 0.62500000000000 0.99858976294380 15.999 > 37 40 O 0.86204768028311 0.62500000000000 0.99858976294380 15.999 > 37 41 O 0.25000000000000 0.23967232091171 0.76259105784672 15.999 > 41 42 O 0.75000000000000 0.23967232091171 0.76259105784672 15.999 > 41 43 O 0.25000000000000 0.73967232091171 0.76259105784672 15.999 > 41 44 O 0.75000000000000 0.73967232091171 0.76259105784672 15.999 > 41 45 O 0.00000000000000 0.26032767908829 0.26259105784672 15.999 > 45 46 O 0.50000000000000 0.26032767908829 0.26259105784672 15.999 > 45 47 O 0.00000000000000 0.76032767908829 0.26259105784672 15.999 > 45 48 O 0.50000000000000 0.76032767908829 0.26259105784672 15.999 > 45 49 O 0.00000000000000 0.23967232091171 0.73740894215328 15.999 > 49 50 O 0.50000000000000 0.23967232091171 0.73740894215328 15.999 > 49 51 O 0.00000000000000 0.73967232091171 0.73740894215328 15.999 > 49 52 O 0.50000000000000 0.73967232091171 0.73740894215328 15.999 > 49 53 O 0.13795231971689 0.37500000000000 0.00141023705620 15.999 > 53 54 O 0.63795231971689 0.37500000000000 0.00141023705620 15.999 > 53 55 O 0.13795231971689 0.87500000000000 0.00141023705620 15.999 > 53 56 O 0.63795231971689 0.87500000000000 0.00141023705620 15.999 > 53 57 O 0.25000000000000 0.26032767908829 0.23740894215328 15.999 > 57 58 O 0.75000000000000 0.26032767908829 0.23740894215328 15.999 > 57 59 O 0.25000000000000 0.76032767908829 0.23740894215328 15.999 > 57 60 O 0.75000000000000 0.76032767908829 0.23740894215328 15.999 > 57 61 O 0.36204768028311 0.37500000000000 0.00141023705620 15.999 > 61 62 O 0.86204768028311 0.37500000000000 0.00141023705620 15.999 > 61 63 O 0.36204768028311 0.87500000000000 0.00141023705620 15.999 > 61 64 O 0.86204768028311 0.87500000000000 0.00141023705620 15.999 > 61 65 O 0.38795231971689 0.37500000000000 0.49858976294380 15.999 > 33 66 O 0.88795231971689 0.37500000000000 0.49858976294380 15.999 > 33 67 O 0.38795231971689 0.87500000000000 0.49858976294380 15.999 > 33 68 O 0.88795231971689 0.87500000000000 0.49858976294380 15.999 > 33 69 O 0.11204768028311 0.37500000000000 0.49858976294380 15.999 > 37 70 O 0.61204768028311 0.37500000000000 0.49858976294380 15.999 > 37 71 O 0.11204768028311 0.87500000000000 0.49858976294380 15.999 > 37 72 O 0.61204768028311 0.87500000000000 0.49858976294380 15.999 > 37 73 O 0.00000000000000 0.48967232091171 0.26259105784672 15.999 > 41 74 O 0.50000000000000 0.48967232091171 0.26259105784672 15.999 > 41 75 O 0.00000000000000 0.98967232091171 0.26259105784672 15.999 > 41 76 O 0.50000000000000 0.98967232091171 0.26259105784672 15.999 > 41 77 O 0.25000000000000 0.01032767908829 0.76259105784672 15.999 > 45 78 O 0.75000000000000 0.01032767908829 0.76259105784672 15.999 > 45 79 O 0.25000000000000 0.51032767908829 0.76259105784672 15.999 > 45 80 O 0.75000000000000 0.51032767908829 0.76259105784672 15.999 > 45 81 O 0.25000000000000 0.48967232091171 0.23740894215328 15.999 > 49 82 O 0.75000000000000 0.48967232091171 0.23740894215328 15.999 > 49 83 O 0.25000000000000 0.98967232091171 0.23740894215328 15.999 > 49 84 O 0.75000000000000 0.98967232091171 0.23740894215328 15.999 > 49 85 O 0.38795231971689 0.12500000000000 0.50141023705620 15.999 > 53 86 O 0.88795231971689 0.12500000000000 0.50141023705620 15.999 > 53 87 O 0.38795231971689 0.62500000000000 0.50141023705620 15.999 > 53 88 O 0.88795231971689 0.62500000000000 0.50141023705620 15.999 > 53 89 O 0.00000000000000 0.01032767908829 0.73740894215328 15.999 > 57 90 O 0.50000000000000 0.01032767908829 0.73740894215328 15.999 > 57 91 O 0.00000000000000 0.51032767908829 0.73740894215328 15.999 > 57 92 O 0.50000000000000 0.51032767908829 0.73740894215328 15.999 > 57 93 O 0.11204768028311 0.12500000000000 0.50141023705620 15.999 > 61 94 O 0.61204768028311 0.12500000000000 0.50141023705620 15.999 > 61 95 O 0.11204768028311 0.62500000000000 0.50141023705620 15.999 > 61 96 O 0.61204768028311 0.62500000000000 0.50141023705620 15.999 > 61 97 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 97 98 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 97 99 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 97 100 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 97 101 Pt 0.25000000000000 0.00000000000000 0.00000000000000 195.084 > 101 102 Pt 0.75000000000000 0.00000000000000 0.00000000000000 195.084 > 101 103 Pt 0.25000000000000 0.50000000000000 0.00000000000000 195.084 > 101 104 Pt 0.75000000000000 0.50000000000000 0.00000000000000 195.084 > 101 105 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 97 106 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 97 107 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 97 108 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 97 109 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 101 110 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 101 111 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 101 112 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7529331 0.0000000 0.0000000 0.0000000 5.5459364 0.0000000 0.0000000 0.0000000 4.4904416 -------------------------- Born effective charges -------------------------- 1 Mg 2.5544693 0.0000000 0.0000000 0.0000000 1.7164729 0.0000000 0.0000000 0.0000000 2.3077769 2 Mg 2.5544693 0.0000000 0.0000000 0.0000000 1.7164729 0.0000000 0.0000000 0.0000000 2.3077769 3 Mg 1.9814331 0.0000000 0.7611398 0.0000000 1.9650299 0.0000000 1.1692019 0.0000000 1.8879601 4 Mg 1.9814331 0.0000000 -0.7611398 0.0000000 1.9650299 0.0000000 -1.1692019 0.0000000 1.8879601 5 O -1.6309231 0.0000000 0.1498976 0.0000000 -2.4207424 0.0000000 -0.0167267 0.0000000 -0.8079946 6 O -1.6309231 0.0000000 -0.1498976 0.0000000 -2.4207424 0.0000000 0.0167267 0.0000000 -0.8079946 7 O -1.2452071 0.0000000 0.0000000 0.0000000 -1.3433370 -0.1044490 0.0000000 0.1008765 -2.3895329 8 O -1.2452071 0.0000000 0.0000000 0.0000000 -1.3433370 0.1044490 0.0000000 -0.1008765 -2.3895329 9 O -1.2452071 0.0000000 0.0000000 0.0000000 -1.3433370 0.1044490 0.0000000 -0.1008765 -2.3895329 10 O -1.6309231 0.0000000 -0.1498976 0.0000000 -2.4207424 0.0000000 0.0167267 0.0000000 -0.8079946 11 O -1.2452071 0.0000000 0.0000000 0.0000000 -1.3433370 -0.1044490 0.0000000 0.1008765 -2.3895329 12 O -1.6309231 0.0000000 0.1498976 0.0000000 -2.4207424 0.0000000 -0.0167267 0.0000000 -0.8079946 13 Pt 1.2163579 0.0000000 0.0000000 0.0000000 3.8466558 0.0728917 0.0000000 0.1615970 2.1993180 14 Pt 1.2163579 0.0000000 0.0000000 0.0000000 3.8466558 -0.0728917 0.0000000 -0.1615970 2.1993180 ---------------------------------------------------------------------------- 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[ 9, 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[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) 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 09:23:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:23:52]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.966106125000000 3.073088120000000 4.263170580000000 b 2.966106125000000 -3.073088120000000 4.263170580000000 c 2.966106125000000 3.073088120000000 -4.263170580000000 Atomic positions (fractional): 1 Mg 0.60594798202184 0.85594798202184 0.75000000000000 24.305 2 Mg 0.39405201797816 0.14405201797816 0.25000000000000 24.305 3 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 4 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 5 O 0.24858976294380 0.27449440237758 0.52590463943378 15.999 6 O 0.24858976294380 0.72268512351003 0.97409536056622 15.999 7 O 0.24193569967014 0.26259105784672 0.97934464182342 15.999 8 O 0.78324641602330 0.26259105784672 0.52065535817658 15.999 9 O 0.21675358397670 0.73740894215328 0.47934464182342 15.999 10 O 0.75141023705620 0.27731487648998 0.02590463943378 15.999 11 O 0.75806430032986 0.73740894215328 0.02065535817658 15.999 12 O 0.75141023705620 0.72550559762242 0.47409536056622 15.999 13 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 14 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.864424500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.292352479999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.526341159999999 Atomic positions (fractional): 1 Mg 0.00000000000000 0.37500000000000 0.85594798202184 24.305 > 1 2 Mg 0.50000000000000 0.37500000000000 0.85594798202184 24.305 > 1 3 Mg 0.00000000000000 0.87500000000000 0.85594798202184 24.305 > 1 4 Mg 0.50000000000000 0.87500000000000 0.85594798202184 24.305 > 1 5 Mg 0.00000000000000 0.12500000000000 0.14405201797816 24.305 > 5 6 Mg 0.50000000000000 0.12500000000000 0.14405201797816 24.305 > 5 7 Mg 0.00000000000000 0.62500000000000 0.14405201797816 24.305 > 5 8 Mg 0.50000000000000 0.62500000000000 0.14405201797816 24.305 > 5 9 Mg 0.37500000000000 0.37500000000000 0.25000000000000 24.305 > 9 10 Mg 0.87500000000000 0.37500000000000 0.25000000000000 24.305 > 9 11 Mg 0.37500000000000 0.87500000000000 0.25000000000000 24.305 > 9 12 Mg 0.87500000000000 0.87500000000000 0.25000000000000 24.305 > 9 13 Mg 0.12500000000000 0.37500000000000 0.25000000000000 24.305 > 13 14 Mg 0.62500000000000 0.37500000000000 0.25000000000000 24.305 > 13 15 Mg 0.12500000000000 0.87500000000000 0.25000000000000 24.305 > 13 16 Mg 0.62500000000000 0.87500000000000 0.25000000000000 24.305 > 13 17 Mg 0.25000000000000 0.12500000000000 0.35594798202184 24.305 > 1 18 Mg 0.75000000000000 0.12500000000000 0.35594798202184 24.305 > 1 19 Mg 0.25000000000000 0.62500000000000 0.35594798202184 24.305 > 1 20 Mg 0.75000000000000 0.62500000000000 0.35594798202184 24.305 > 1 21 Mg 0.25000000000000 0.37500000000000 0.64405201797816 24.305 > 5 22 Mg 0.75000000000000 0.37500000000000 0.64405201797816 24.305 > 5 23 Mg 0.25000000000000 0.87500000000000 0.64405201797816 24.305 > 5 24 Mg 0.75000000000000 0.87500000000000 0.64405201797816 24.305 > 5 25 Mg 0.12500000000000 0.12500000000000 0.75000000000000 24.305 > 9 26 Mg 0.62500000000000 0.12500000000000 0.75000000000000 24.305 > 9 27 Mg 0.12500000000000 0.62500000000000 0.75000000000000 24.305 > 9 28 Mg 0.62500000000000 0.62500000000000 0.75000000000000 24.305 > 9 29 Mg 0.37500000000000 0.12500000000000 0.75000000000000 24.305 > 13 30 Mg 0.87500000000000 0.12500000000000 0.75000000000000 24.305 > 13 31 Mg 0.37500000000000 0.62500000000000 0.75000000000000 24.305 > 13 32 Mg 0.87500000000000 0.62500000000000 0.75000000000000 24.305 > 13 33 O 0.13795231971689 0.12500000000000 0.99858976294380 15.999 > 33 34 O 0.63795231971689 0.12500000000000 0.99858976294380 15.999 > 33 35 O 0.13795231971689 0.62500000000000 0.99858976294380 15.999 > 33 36 O 0.63795231971689 0.62500000000000 0.99858976294380 15.999 > 33 37 O 0.36204768028311 0.12500000000000 0.99858976294380 15.999 > 37 38 O 0.86204768028311 0.12500000000000 0.99858976294380 15.999 > 37 39 O 0.36204768028311 0.62500000000000 0.99858976294380 15.999 > 37 40 O 0.86204768028311 0.62500000000000 0.99858976294380 15.999 > 37 41 O 0.25000000000000 0.23967232091171 0.76259105784672 15.999 > 41 42 O 0.75000000000000 0.23967232091171 0.76259105784672 15.999 > 41 43 O 0.25000000000000 0.73967232091171 0.76259105784672 15.999 > 41 44 O 0.75000000000000 0.73967232091171 0.76259105784672 15.999 > 41 45 O 0.00000000000000 0.26032767908829 0.26259105784672 15.999 > 45 46 O 0.50000000000000 0.26032767908829 0.26259105784672 15.999 > 45 47 O 0.00000000000000 0.76032767908829 0.26259105784672 15.999 > 45 48 O 0.50000000000000 0.76032767908829 0.26259105784672 15.999 > 45 49 O 0.00000000000000 0.23967232091171 0.73740894215328 15.999 > 49 50 O 0.50000000000000 0.23967232091171 0.73740894215328 15.999 > 49 51 O 0.00000000000000 0.73967232091171 0.73740894215328 15.999 > 49 52 O 0.50000000000000 0.73967232091171 0.73740894215328 15.999 > 49 53 O 0.13795231971689 0.37500000000000 0.00141023705620 15.999 > 53 54 O 0.63795231971689 0.37500000000000 0.00141023705620 15.999 > 53 55 O 0.13795231971689 0.87500000000000 0.00141023705620 15.999 > 53 56 O 0.63795231971689 0.87500000000000 0.00141023705620 15.999 > 53 57 O 0.25000000000000 0.26032767908829 0.23740894215328 15.999 > 57 58 O 0.75000000000000 0.26032767908829 0.23740894215328 15.999 > 57 59 O 0.25000000000000 0.76032767908829 0.23740894215328 15.999 > 57 60 O 0.75000000000000 0.76032767908829 0.23740894215328 15.999 > 57 61 O 0.36204768028311 0.37500000000000 0.00141023705620 15.999 > 61 62 O 0.86204768028311 0.37500000000000 0.00141023705620 15.999 > 61 63 O 0.36204768028311 0.87500000000000 0.00141023705620 15.999 > 61 64 O 0.86204768028311 0.87500000000000 0.00141023705620 15.999 > 61 65 O 0.38795231971689 0.37500000000000 0.49858976294380 15.999 > 33 66 O 0.88795231971689 0.37500000000000 0.49858976294380 15.999 > 33 67 O 0.38795231971689 0.87500000000000 0.49858976294380 15.999 > 33 68 O 0.88795231971689 0.87500000000000 0.49858976294380 15.999 > 33 69 O 0.11204768028311 0.37500000000000 0.49858976294380 15.999 > 37 70 O 0.61204768028311 0.37500000000000 0.49858976294380 15.999 > 37 71 O 0.11204768028311 0.87500000000000 0.49858976294380 15.999 > 37 72 O 0.61204768028311 0.87500000000000 0.49858976294380 15.999 > 37 73 O 0.00000000000000 0.48967232091171 0.26259105784672 15.999 > 41 74 O 0.50000000000000 0.48967232091171 0.26259105784672 15.999 > 41 75 O 0.00000000000000 0.98967232091171 0.26259105784672 15.999 > 41 76 O 0.50000000000000 0.98967232091171 0.26259105784672 15.999 > 41 77 O 0.25000000000000 0.01032767908829 0.76259105784672 15.999 > 45 78 O 0.75000000000000 0.01032767908829 0.76259105784672 15.999 > 45 79 O 0.25000000000000 0.51032767908829 0.76259105784672 15.999 > 45 80 O 0.75000000000000 0.51032767908829 0.76259105784672 15.999 > 45 81 O 0.25000000000000 0.48967232091171 0.23740894215328 15.999 > 49 82 O 0.75000000000000 0.48967232091171 0.23740894215328 15.999 > 49 83 O 0.25000000000000 0.98967232091171 0.23740894215328 15.999 > 49 84 O 0.75000000000000 0.98967232091171 0.23740894215328 15.999 > 49 85 O 0.38795231971689 0.12500000000000 0.50141023705620 15.999 > 53 86 O 0.88795231971689 0.12500000000000 0.50141023705620 15.999 > 53 87 O 0.38795231971689 0.62500000000000 0.50141023705620 15.999 > 53 88 O 0.88795231971689 0.62500000000000 0.50141023705620 15.999 > 53 89 O 0.00000000000000 0.01032767908829 0.73740894215328 15.999 > 57 90 O 0.50000000000000 0.01032767908829 0.73740894215328 15.999 > 57 91 O 0.00000000000000 0.51032767908829 0.73740894215328 15.999 > 57 92 O 0.50000000000000 0.51032767908829 0.73740894215328 15.999 > 57 93 O 0.11204768028311 0.12500000000000 0.50141023705620 15.999 > 61 94 O 0.61204768028311 0.12500000000000 0.50141023705620 15.999 > 61 95 O 0.11204768028311 0.62500000000000 0.50141023705620 15.999 > 61 96 O 0.61204768028311 0.62500000000000 0.50141023705620 15.999 > 61 97 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 97 98 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 97 99 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 97 100 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 97 101 Pt 0.25000000000000 0.00000000000000 0.00000000000000 195.084 > 101 102 Pt 0.75000000000000 0.00000000000000 0.00000000000000 195.084 > 101 103 Pt 0.25000000000000 0.50000000000000 0.00000000000000 195.084 > 101 104 Pt 0.75000000000000 0.50000000000000 0.00000000000000 195.084 > 101 105 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 97 106 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 97 107 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 97 108 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 97 109 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 101 110 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 101 111 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 101 112 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7529331 0.0000000 0.0000000 0.0000000 5.5459364 0.0000000 0.0000000 0.0000000 4.4904416 -------------------------- Born effective charges -------------------------- 1 Mg 2.5544693 0.0000000 0.0000000 0.0000000 1.7164729 0.0000000 0.0000000 0.0000000 2.3077769 2 Mg 2.5544693 0.0000000 0.0000000 0.0000000 1.7164729 0.0000000 0.0000000 0.0000000 2.3077769 3 Mg 1.9814331 0.0000000 0.7611398 0.0000000 1.9650299 0.0000000 1.1692019 0.0000000 1.8879601 4 Mg 1.9814331 0.0000000 -0.7611398 0.0000000 1.9650299 0.0000000 -1.1692019 0.0000000 1.8879601 5 O -1.6309231 0.0000000 0.1498976 0.0000000 -2.4207424 0.0000000 -0.0167267 0.0000000 -0.8079946 6 O -1.6309231 0.0000000 -0.1498976 0.0000000 -2.4207424 0.0000000 0.0167267 0.0000000 -0.8079946 7 O -1.2452071 0.0000000 0.0000000 0.0000000 -1.3433370 -0.1044490 0.0000000 0.1008765 -2.3895329 8 O -1.2452071 0.0000000 0.0000000 0.0000000 -1.3433370 0.1044490 0.0000000 -0.1008765 -2.3895329 9 O -1.2452071 0.0000000 0.0000000 0.0000000 -1.3433370 0.1044490 0.0000000 -0.1008765 -2.3895329 10 O -1.6309231 0.0000000 -0.1498976 0.0000000 -2.4207424 0.0000000 0.0167267 0.0000000 -0.8079946 11 O -1.2452071 0.0000000 0.0000000 0.0000000 -1.3433370 -0.1044490 0.0000000 0.1008765 -2.3895329 12 O -1.6309231 0.0000000 0.1498976 0.0000000 -2.4207424 0.0000000 -0.0167267 0.0000000 -0.8079946 13 Pt 1.2163579 0.0000000 0.0000000 0.0000000 3.8466558 0.0728917 0.0000000 0.1615970 2.1993180 14 Pt 1.2163579 0.0000000 0.0000000 0.0000000 3.8466558 -0.0728917 0.0000000 -0.1615970 2.1993180 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 2 8 48 ] Grid generation matrix: [ 0 8 8 ] [ 8 0 8 ] [ 6 6 0 ] 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: 0.77, Number of G-points: 303, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/148) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 148 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 3.999 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 6.156 ( 0.000 0.000 0.000) 0.000 6.710 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 8.324 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 9.694 ( 0.000 0.000 0.000) 0.000 10.001 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 11.414 ( 0.000 0.000 0.000) 0.000 12.171 ( 0.000 0.000 0.000) 0.000 12.966 ( 0.000 0.000 0.000) 0.000 12.994 ( 0.000 0.000 0.000) 0.000 13.582 ( 0.000 0.000 0.000) 0.000 13.851 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 14.381 ( 0.000 0.000 0.000) 0.000 14.551 ( 0.000 0.000 0.000) 0.000 14.879 ( 0.000 0.000 0.000) 0.000 15.235 ( 0.000 0.000 0.000) 0.000 15.726 ( 0.000 0.000 0.000) 0.000 15.785 ( 0.000 0.000 0.000) 0.000 16.081 ( 0.000 0.000 0.000) 0.000 16.402 ( 0.000 0.000 0.000) 0.000 16.829 ( 0.000 0.000 0.000) 0.000 17.105 ( 0.000 0.000 0.000) 0.000 17.723 ( 0.000 0.000 0.000) 0.000 17.833 ( 0.000 0.000 0.000) 0.000 18.143 ( 0.000 0.000 0.000) 0.000 18.545 ( 0.000 0.000 0.000) 0.000 18.846 ( 0.000 0.000 0.000) 0.000 18.928 ( 0.000 0.000 0.000) 0.000 19.110 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/148) ======================= q-point: (-0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 0.000 -0.000 -0.000) 0.000 2.857 ( 0.000 -0.000 -0.000) 0.000 2.909 ( -0.000 0.000 0.000) 0.000 3.367 ( -0.000 0.000 0.000) 0.000 4.717 ( -0.000 0.000 0.000) 0.000 5.215 ( 0.000 -0.000 0.000) 0.000 5.396 ( -0.000 0.000 0.000) 0.000 6.616 ( -0.000 0.000 0.000) 0.000 7.174 ( -0.000 -0.000 0.000) 0.000 7.318 ( -0.000 0.000 -0.000) 0.000 7.677 ( -0.000 0.000 0.000) 0.000 8.453 ( -0.000 0.000 0.000) 0.000 8.718 ( -0.000 0.000 0.000) 0.000 9.152 ( -0.000 -0.000 0.000) 0.000 9.510 ( -0.000 0.000 -0.000) 0.000 9.657 ( -0.000 0.000 0.000) 0.000 10.163 ( -0.000 0.000 0.000) 0.000 10.935 ( -0.000 0.000 0.000) 0.000 11.498 ( 0.000 -0.000 -0.000) 0.000 11.621 ( -0.000 0.000 0.000) 0.000 11.879 ( -0.000 0.000 0.000) 0.000 12.733 ( -0.000 -0.000 0.000) 0.000 13.476 ( -0.000 0.000 0.000) 0.000 13.832 ( -0.000 -0.000 0.000) 0.000 13.920 ( -0.000 0.000 -0.000) 0.000 14.038 ( -0.000 0.000 0.000) 0.000 14.414 ( -0.000 0.000 0.000) 0.000 15.062 ( -0.000 0.000 0.000) 0.000 15.453 ( 0.000 -0.000 0.000) 0.000 15.604 ( -0.000 0.000 0.000) 0.000 15.744 ( -0.000 0.000 0.000) 0.000 16.062 ( 0.000 -0.000 0.000) 0.000 17.290 ( -0.000 0.000 0.000) 0.000 17.429 ( -0.000 0.000 0.000) 0.000 17.460 ( -0.000 -0.000 0.000) 0.000 17.477 ( 0.000 -0.000 0.000) 0.000 17.999 ( -0.000 0.000 0.000) 0.000 18.204 ( -0.000 0.000 0.000) 0.000 18.791 ( -0.000 0.000 0.000) 0.000 18.952 ( -0.000 0.000 0.000) 0.000 19.666 ( -0.000 0.000 0.000) 0.000 19.828 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 3 (3/148) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 7.662 -22.612 -15.664) 28.555 2.646 ( 14.594 -15.503 -20.932) 29.858 3.342 ( 1.539 21.036 4.451) 21.557 3.863 ( 5.959 27.409 4.909) 28.476 4.466 ( -2.598 -36.358 -6.074) 36.954 5.014 ( 25.529 0.908 6.500) 26.359 5.942 ( -4.088 22.798 0.208) 23.163 6.404 ( -11.147 -0.790 -0.734) 11.199 7.226 ( 4.901 -7.434 7.351) 11.546 7.477 ( 6.763 -3.198 -4.272) 8.615 7.670 ( -0.557 0.522 -3.351) 3.436 8.048 ( -13.098 -14.768 -3.039) 19.973 8.510 ( 2.217 -16.162 2.815) 16.554 9.046 ( 17.792 -1.287 3.999) 18.281 9.758 ( 1.235 5.458 -0.408) 5.610 9.968 ( 7.540 5.401 -4.143) 10.159 10.171 ( 2.340 3.884 -5.986) 7.510 11.118 ( -4.010 -1.616 -1.066) 4.453 11.252 ( -1.484 8.635 -6.868) 11.133 11.636 ( 7.666 -6.582 -3.148) 10.584 12.155 ( -2.259 16.841 6.854) 18.322 12.746 ( -6.690 5.472 1.332) 8.745 13.262 ( -21.262 -2.044 4.145) 21.758 13.623 ( 9.607 2.460 2.970) 10.353 13.910 ( -4.732 0.669 2.049) 5.199 14.350 ( -3.904 -0.847 0.275) 4.004 14.521 ( 15.364 7.402 -7.817) 18.760 15.038 ( 1.964 -4.290 -0.077) 4.718 15.391 ( 5.371 -5.808 -0.670) 7.939 15.777 ( 0.174 4.219 -1.353) 4.435 15.820 ( 2.737 10.236 1.129) 10.656 16.117 ( 2.100 3.022 -1.741) 4.071 17.142 ( -8.204 -4.564 0.333) 9.394 17.186 ( -9.460 -4.042 3.833) 10.979 17.453 ( 1.204 -3.196 -2.409) 4.179 17.647 ( 5.221 2.037 4.004) 6.888 17.947 ( 0.472 -4.649 -1.098) 4.800 18.203 ( -0.232 -1.049 -0.190) 1.091 18.732 ( -1.498 -3.351 2.112) 4.235 18.893 ( -1.615 -3.096 2.258) 4.158 19.451 ( -2.411 -11.004 -2.514) 11.542 19.939 ( -6.396 11.203 5.720) 14.111 ======================= Grid point 4 (4/148) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 21.562 23.139 -0.000) 31.628 1.004 ( 32.223 15.566 -0.000) 35.786 1.642 ( 28.148 49.497 -0.000) 56.941 3.984 ( 1.386 -4.434 -0.000) 4.646 4.638 ( 1.532 -7.648 -0.000) 7.800 5.757 ( 17.486 -6.162 -0.000) 18.540 6.414 ( -7.168 25.939 0.000) 26.911 6.627 ( 0.531 -9.295 -0.000) 9.310 6.776 ( 1.737 -11.994 -0.000) 12.119 7.023 ( -25.376 5.459 0.000) 25.956 7.593 ( -19.022 0.650 0.000) 19.034 7.716 ( 22.260 -0.270 -0.000) 22.262 8.426 ( 12.466 -13.230 -0.000) 18.178 9.143 ( 24.165 5.820 -0.000) 24.856 9.338 ( 28.888 14.320 -0.000) 32.243 9.858 ( 8.027 -15.093 -0.000) 17.095 10.017 ( -4.725 7.291 0.000) 8.688 10.481 ( 4.841 -5.803 -0.000) 7.557 11.419 ( -2.323 2.704 0.000) 3.565 12.060 ( -5.311 -9.920 0.000) 11.252 12.654 ( -29.772 1.973 0.000) 29.837 13.044 ( 7.082 -11.684 -0.000) 13.663 13.434 ( -5.780 -5.226 0.000) 7.792 14.125 ( 19.900 -24.821 -0.000) 31.813 14.132 ( 12.287 0.535 -0.000) 12.299 14.178 ( -8.923 -5.567 0.000) 10.517 14.538 ( -2.307 -0.799 0.000) 2.442 14.938 ( 4.289 -7.319 -0.000) 8.484 15.322 ( 7.660 -1.364 -0.000) 7.780 15.776 ( 4.781 0.009 -0.000) 4.781 15.909 ( 1.856 7.235 -0.000) 7.469 16.095 ( 1.498 0.116 -0.000) 1.502 16.878 ( -0.713 4.458 0.000) 4.514 17.043 ( -24.749 16.820 0.000) 29.923 17.169 ( -1.389 6.954 0.000) 7.091 17.871 ( 0.475 1.901 -0.000) 1.959 18.090 ( -6.162 2.306 0.000) 6.579 18.234 ( 11.177 -9.263 -0.000) 14.516 18.651 ( 0.086 -10.581 -0.000) 10.582 19.119 ( -0.238 10.290 0.000) 10.293 19.152 ( 3.350 -0.155 -0.000) 3.354 20.265 ( -18.857 8.315 0.000) 20.609 ======================= Grid point 5 (5/148) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 20.173 22.659 -0.000) 30.338 1.978 ( 24.748 20.579 -0.000) 32.186 3.136 ( 19.072 46.538 -0.000) 50.295 3.857 ( 0.523 -9.482 -0.000) 9.497 4.428 ( 1.795 -16.456 -0.000) 16.553 6.112 ( 21.015 1.610 -0.000) 21.077 6.313 ( -4.635 -14.416 0.000) 15.143 6.750 ( 9.657 0.199 -0.000) 9.660 6.874 ( -9.914 12.819 0.000) 16.206 6.987 ( 10.210 20.528 -0.000) 22.927 7.214 ( -20.065 5.805 0.000) 20.888 8.085 ( 11.189 2.813 -0.000) 11.537 8.294 ( 4.137 -16.705 -0.000) 17.210 9.649 ( 8.959 -9.148 -0.000) 12.804 9.868 ( 3.826 -1.688 -0.000) 4.182 10.021 ( 25.832 10.596 -0.000) 27.921 10.267 ( 10.879 5.350 -0.000) 12.124 10.543 ( 4.882 6.058 -0.000) 7.780 11.411 ( 2.956 -5.497 -0.000) 6.241 11.724 ( -4.208 -6.394 0.000) 7.654 11.980 ( -36.637 4.467 0.000) 36.908 12.901 ( 4.539 -14.508 -0.000) 15.201 13.139 ( -6.115 -11.585 0.000) 13.099 13.816 ( -14.425 -4.867 0.000) 15.224 14.053 ( 8.185 -10.184 -0.000) 13.065 14.372 ( 2.490 0.883 -0.000) 2.642 14.459 ( 0.457 2.407 -0.000) 2.450 14.932 ( 7.491 -5.638 -0.000) 9.376 15.474 ( 8.768 -0.114 -0.000) 8.768 15.915 ( 9.672 -1.905 -0.000) 9.857 16.028 ( 1.437 -0.005 -0.000) 1.437 16.175 ( 3.013 2.468 -0.000) 3.895 16.840 ( -14.625 5.057 0.000) 15.475 16.905 ( -4.699 1.343 0.000) 4.887 17.282 ( -1.931 7.825 0.000) 8.059 17.889 ( -0.644 -0.260 0.000) 0.695 18.053 ( -6.069 8.062 0.000) 10.091 18.280 ( 2.016 -0.536 -0.000) 2.086 18.464 ( -0.389 -7.109 -0.000) 7.120 19.188 ( 2.700 -4.700 -0.000) 5.420 19.299 ( -0.361 8.051 0.000) 8.059 19.934 ( -17.229 -1.818 0.000) 17.325 ======================= Grid point 6 (6/148) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 10.203 -12.877 -16.057) 22.973 2.735 ( 16.628 -15.943 -20.776) 31.021 3.629 ( -0.965 -7.464 -5.953) 9.596 3.817 ( -2.404 4.911 -4.420) 7.031 4.588 ( 6.135 21.858 -1.520) 22.753 5.517 ( 9.699 -10.410 7.281) 15.982 5.933 ( 11.295 -13.856 11.984) 21.522 6.479 ( -3.658 15.536 -5.171) 16.777 6.864 ( -1.933 -24.106 -6.514) 25.045 7.099 ( -7.511 -15.530 1.197) 17.292 7.391 ( -0.229 -5.170 2.488) 5.742 8.250 ( 14.086 11.247 -8.834) 20.074 8.812 ( 12.849 17.671 3.531) 22.132 9.314 ( 12.773 -3.977 4.837) 14.225 9.724 ( -4.192 -1.336 13.251) 13.963 10.239 ( -2.347 0.918 -12.904) 13.148 10.298 ( 13.818 -1.808 -6.397) 15.334 10.884 ( 11.710 -12.488 -7.065) 18.520 11.515 ( -12.360 12.789 1.277) 17.831 11.673 ( 0.981 -0.396 -5.856) 5.951 12.180 ( -17.628 5.372 -0.944) 18.453 12.642 ( -6.472 10.512 2.943) 12.691 13.187 ( -1.165 10.253 5.404) 11.648 13.700 ( -14.699 -0.552 4.483) 15.378 13.939 ( 9.398 4.521 3.982) 11.163 14.298 ( 2.348 0.355 2.582) 3.508 14.874 ( 4.871 5.637 -8.911) 11.615 14.988 ( 4.678 -7.033 2.714) 8.872 15.490 ( 8.859 0.318 -0.188) 8.867 15.894 ( 1.315 5.948 -2.131) 6.454 16.041 ( 1.725 6.002 -0.987) 6.323 16.234 ( 2.775 1.532 -2.685) 4.154 16.853 ( -10.881 -6.353 1.948) 12.749 16.907 ( -5.434 -2.042 -0.088) 5.805 17.358 ( -2.222 -6.019 -1.306) 6.548 17.686 ( 2.839 -7.384 5.427) 9.593 17.899 ( -1.390 0.635 1.409) 2.078 18.118 ( -2.569 -2.486 -3.887) 5.281 18.640 ( -1.691 -1.337 3.469) 4.084 18.815 ( 1.369 -5.191 2.963) 6.132 19.245 ( 1.990 -5.954 0.606) 6.307 19.981 ( -10.685 11.254 4.458) 16.146 ======================= Grid point 7 (7/148) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 9.215 -5.804 -9.902) 14.719 2.475 ( 2.656 -21.550 -13.583) 25.612 3.712 ( 7.733 9.114 -5.461) 13.141 3.981 ( -3.059 9.691 -4.304) 11.036 5.044 ( 3.616 8.579 -4.037) 10.147 5.154 ( -2.493 -15.411 12.061) 19.728 5.382 ( -11.949 -25.680 -7.716) 29.356 6.437 ( -9.372 -10.983 -1.201) 14.488 6.850 ( 2.886 5.708 -2.539) 6.881 7.068 ( 10.751 4.342 5.463) 12.817 7.677 ( 35.425 -0.337 8.923) 36.533 8.585 ( -0.663 4.939 -16.040) 16.796 9.401 ( 8.437 3.296 18.099) 20.239 9.496 ( 6.052 6.086 -4.689) 9.780 9.569 ( -13.097 5.723 6.644) 15.762 10.186 ( 8.427 -3.910 -8.353) 12.493 10.357 ( 4.457 -6.802 1.922) 8.356 11.084 ( -20.363 5.876 0.363) 21.197 11.224 ( 6.135 -2.198 -8.742) 10.904 11.619 ( 8.004 -7.983 -7.231) 13.419 12.079 ( -6.226 4.306 -2.349) 7.926 12.776 ( -0.765 7.045 2.878) 7.648 13.195 ( -20.950 2.131 7.552) 22.371 13.451 ( -0.937 4.391 1.894) 4.873 14.161 ( 0.221 7.699 0.943) 7.759 14.463 ( 9.527 0.228 4.692) 10.623 14.931 ( 3.197 -7.664 3.638) 9.066 14.975 ( -0.365 1.507 -4.148) 4.429 15.720 ( 7.618 3.295 0.755) 8.334 16.064 ( 0.649 8.241 -2.850) 8.745 16.149 ( 1.725 0.841 -0.433) 1.967 16.273 ( 0.667 0.203 -2.374) 2.474 16.509 ( -7.227 -7.718 -1.230) 10.645 16.891 ( 1.308 3.811 -0.386) 4.048 17.135 ( -3.900 -7.092 -1.333) 8.203 17.578 ( 1.033 -6.311 2.072) 6.722 17.725 ( -6.912 -5.492 1.735) 8.997 18.177 ( 0.541 8.312 -1.104) 8.403 18.608 ( 0.713 -3.058 8.574) 9.131 18.662 ( -0.971 -7.516 -5.666) 9.462 19.324 ( 7.732 -0.030 1.398) 7.857 19.976 ( -9.295 9.374 2.910) 13.518 ======================= Grid point 8 (8/148) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 15.302 19.782 -0.000) 25.009 2.849 ( 13.956 23.558 -0.000) 27.382 3.634 ( -1.354 -9.709 0.000) 9.803 4.067 ( 1.464 -21.919 -0.000) 21.968 4.313 ( 6.074 41.829 -0.000) 42.268 5.858 ( 1.460 -29.282 -0.000) 29.318 6.658 ( 15.963 7.181 -0.000) 17.503 6.780 ( -21.126 15.355 0.000) 26.116 6.930 ( 14.485 -5.018 -0.000) 15.330 7.310 ( -1.149 20.733 0.000) 20.765 7.651 ( 28.236 -3.284 -0.000) 28.427 7.943 ( -5.167 -16.298 0.000) 17.098 8.422 ( -0.281 23.580 0.000) 23.582 9.617 ( 8.292 -6.109 -0.000) 10.299 9.724 ( -0.485 -16.587 -0.000) 16.594 10.380 ( -3.879 6.805 0.000) 7.833 10.547 ( -25.237 1.560 0.000) 25.285 10.588 ( 13.261 -7.207 -0.000) 15.093 11.479 ( 22.167 -4.592 -0.000) 22.638 11.622 ( -6.439 11.412 0.000) 13.103 11.824 ( 3.454 14.751 -0.000) 15.150 12.667 ( 4.580 -16.189 -0.000) 16.824 12.720 ( -6.389 -15.623 0.000) 16.878 13.318 ( -24.497 -4.323 0.000) 24.875 14.076 ( 4.245 -0.578 -0.000) 4.285 14.296 ( 1.613 -6.507 -0.000) 6.704 14.702 ( -0.778 15.115 0.000) 15.135 14.987 ( 8.493 -6.969 -0.000) 10.986 15.689 ( 6.831 3.919 -0.000) 7.876 15.996 ( 0.228 -4.507 -0.000) 4.513 16.098 ( 11.839 -2.336 -0.000) 12.067 16.260 ( 0.748 1.774 -0.000) 1.926 16.660 ( -9.511 2.553 0.000) 9.847 16.723 ( -6.865 -4.539 0.000) 8.230 17.453 ( 0.907 10.135 -0.000) 10.175 17.832 ( -2.437 -2.207 0.000) 3.288 18.139 ( -2.085 7.884 0.000) 8.155 18.288 ( 0.436 -0.963 -0.000) 1.057 18.366 ( 0.004 -1.550 -0.000) 1.550 18.949 ( -8.492 -13.874 0.000) 16.267 19.433 ( 0.032 5.545 0.000) 5.545 19.620 ( -7.752 -0.163 0.000) 7.754 ======================= Grid point 9 (9/148) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( -6.188 -9.813 0.000) 11.601 3.221 ( 6.188 9.813 -0.000) 11.601 3.610 ( -2.818 -19.196 0.000) 19.401 3.610 ( 2.818 19.196 -0.000) 19.401 5.176 ( 1.221 -39.358 -0.000) 39.377 5.176 ( -1.221 39.358 0.000) 39.377 6.763 ( 13.205 -16.453 -0.000) 21.096 6.763 ( -13.205 16.453 0.000) 21.096 7.421 ( -12.320 -15.827 0.000) 20.057 7.421 ( 12.320 15.827 -0.000) 20.057 7.723 ( 9.770 -25.309 -0.000) 27.130 7.723 ( -9.770 25.309 0.000) 27.130 9.126 ( -6.772 -32.244 0.000) 32.948 9.126 ( 6.772 32.244 -0.000) 32.948 9.915 ( -26.956 0.837 0.000) 26.969 9.915 ( 26.956 -0.837 -0.000) 26.969 10.498 ( 6.622 -14.847 -0.000) 16.257 10.498 ( -6.622 14.847 0.000) 16.257 11.780 ( 3.933 -3.260 -0.000) 5.109 11.780 ( -3.933 3.260 0.000) 5.109 12.295 ( -6.881 -12.510 0.000) 14.278 12.295 ( 6.881 12.510 -0.000) 14.278 12.695 ( -24.598 1.786 0.000) 24.663 12.695 ( 24.598 -1.786 -0.000) 24.663 14.184 ( -0.634 -5.373 0.000) 5.410 14.184 ( 0.634 5.373 -0.000) 5.410 14.942 ( 5.364 -12.949 -0.000) 14.016 14.942 ( -5.364 12.949 0.000) 14.016 15.874 ( -2.892 -4.325 0.000) 5.203 15.874 ( 2.892 4.325 -0.000) 5.203 16.267 ( -5.428 1.830 0.000) 5.729 16.267 ( 5.428 -1.830 -0.000) 5.729 16.569 ( 1.542 -2.263 -0.000) 2.739 16.569 ( -1.542 2.263 0.000) 2.739 17.686 ( -3.111 -6.757 0.000) 7.439 17.686 ( 3.111 6.757 -0.000) 7.439 18.260 ( 1.863 -5.309 -0.000) 5.627 18.260 ( -1.863 5.309 0.000) 5.627 18.476 ( -8.808 -7.600 0.000) 11.634 18.476 ( 8.808 7.600 -0.000) 11.634 19.525 ( -1.331 -2.231 0.000) 2.598 19.525 ( 1.331 2.231 -0.000) 2.598 ======================= Grid point 11 (10/148) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 0.000 -0.000 -0.000) 0.000 2.324 ( 0.000 0.000 -0.000) 0.000 3.984 ( -0.000 -0.000 0.000) 0.000 4.059 ( 0.000 -0.000 -0.000) 0.000 4.783 ( 0.000 -0.000 -0.000) 0.000 4.983 ( 0.000 -0.000 -0.000) 0.000 5.236 ( 0.000 0.000 -0.000) 0.000 6.190 ( 0.000 -0.000 -0.000) 0.000 6.957 ( 0.000 -0.000 -0.000) 0.000 7.206 ( 0.000 -0.000 -0.000) 0.000 8.343 ( 0.000 -0.000 0.000) 0.000 8.560 ( -0.000 0.000 -0.000) 0.000 9.178 ( 0.000 0.000 -0.000) 0.000 9.496 ( 0.000 -0.000 -0.000) 0.000 9.755 ( 0.000 0.000 -0.000) 0.000 10.326 ( 0.000 -0.000 0.000) 0.000 10.440 ( 0.000 -0.000 -0.000) 0.000 10.659 ( 0.000 -0.000 -0.000) 0.000 11.474 ( -0.000 0.000 -0.000) 0.000 11.533 ( 0.000 -0.000 -0.000) 0.000 12.098 ( -0.000 0.000 -0.000) 0.000 12.848 ( 0.000 0.000 -0.000) 0.000 12.883 ( 0.000 -0.000 -0.000) 0.000 13.517 ( 0.000 -0.000 -0.000) 0.000 14.252 ( 0.000 -0.000 -0.000) 0.000 14.593 ( -0.000 0.000 -0.000) 0.000 14.851 ( 0.000 -0.000 -0.000) 0.000 14.983 ( 0.000 -0.000 -0.000) 0.000 15.855 ( 0.000 -0.000 -0.000) 0.000 16.163 ( 0.000 -0.000 -0.000) 0.000 16.244 ( 0.000 -0.000 0.000) 0.000 16.252 ( -0.000 0.000 -0.000) 0.000 16.301 ( 0.000 0.000 -0.000) 0.000 16.972 ( -0.000 0.000 -0.000) 0.000 17.027 ( -0.000 0.000 -0.000) 0.000 17.469 ( 0.000 -0.000 -0.000) 0.000 17.600 ( 0.000 -0.000 -0.000) 0.000 18.346 ( 0.000 0.000 -0.000) 0.000 18.458 ( 0.000 0.000 -0.000) 0.000 18.628 ( 0.000 -0.000 0.000) 0.000 19.426 ( 0.000 -0.000 -0.000) 0.000 19.973 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 19 (11/148) ======================= q-point: (-0.15 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 -7.752 -28.536) 29.570 0.804 ( 0.000 -22.071 -19.148) 29.219 1.795 ( 0.000 -51.268 -34.092) 61.569 3.979 ( -0.000 4.693 -0.895) 4.778 4.646 ( -0.000 8.047 -2.413) 8.401 5.444 ( -0.000 7.446 10.169) 12.604 6.286 ( 0.000 -21.134 18.523) 28.102 6.675 ( -0.000 9.517 -1.865) 9.698 6.803 ( 0.000 0.009 -4.354) 4.354 7.208 ( 0.000 -9.444 7.750) 12.217 7.451 ( 0.000 -3.509 -4.204) 5.475 7.745 ( -0.000 11.233 2.249) 11.456 8.677 ( 0.000 -7.718 10.821) 13.291 8.752 ( 0.000 9.038 -28.849) 30.232 9.117 ( 0.000 -10.179 -11.357) 15.251 9.700 ( 0.000 -2.248 -1.013) 2.466 10.173 ( 0.000 -8.521 -7.716) 11.495 10.363 ( -0.000 8.035 3.700) 8.846 11.396 ( 0.000 -3.451 4.966) 6.047 12.146 ( -0.000 11.967 -4.254) 12.701 12.886 ( -0.000 6.770 1.299) 6.894 13.022 ( -0.000 4.433 0.571) 4.469 13.748 ( -0.000 2.831 4.529) 5.342 13.799 ( -0.000 15.417 -11.540) 19.257 13.983 ( 0.000 2.111 -6.233) 6.581 14.314 ( -0.000 9.846 -2.979) 10.286 14.524 ( -0.000 -0.978 3.716) 3.842 14.896 ( -0.000 1.868 -0.271) 1.887 15.230 ( -0.000 -0.189 0.478) 0.514 15.799 ( -0.000 3.770 -4.833) 6.129 15.987 ( 0.000 1.388 -8.659) 8.769 16.078 ( -0.000 1.055 -0.053) 1.057 16.885 ( 0.000 -5.873 0.385) 5.886 17.199 ( 0.000 -6.661 -1.481) 6.824 17.508 ( 0.000 -9.323 12.571) 15.651 17.681 ( -0.000 2.812 0.874) 2.945 17.824 ( 0.000 -4.610 6.233) 7.752 18.163 ( 0.000 -1.480 0.435) 1.543 18.671 ( -0.000 0.877 -0.922) 1.272 18.946 ( 0.000 -9.063 9.325) 13.003 19.137 ( 0.000 -4.441 1.512) 4.691 20.684 ( -0.000 15.342 -4.610) 16.020 ======================= Grid point 20 (12/148) ======================= q-point: ( 0.35 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -0.000 31.005 15.141) 34.504 2.139 ( -0.000 26.354 12.049) 28.978 3.498 ( 0.000 -13.740 -11.498) 17.916 3.905 ( 0.000 -26.638 -4.719) 27.053 4.292 ( -0.000 47.527 11.831) 48.977 4.866 ( 0.000 -7.738 -6.871) 10.348 5.967 ( 0.000 -27.875 3.079) 28.044 6.639 ( 0.000 4.172 -6.545) 7.761 7.007 ( -0.000 0.536 12.387) 12.398 7.371 ( 0.000 -3.656 -1.098) 3.817 7.637 ( -0.000 1.348 2.464) 2.809 8.284 ( -0.000 37.603 -1.399) 37.629 8.609 ( 0.000 1.587 -14.429) 14.516 8.880 ( -0.000 4.656 4.043) 6.167 9.586 ( -0.000 5.723 1.087) 5.825 9.918 ( 0.000 -16.655 0.066) 16.655 10.047 ( -0.000 6.177 5.213) 8.083 10.997 ( -0.000 20.992 10.522) 23.481 11.133 ( 0.000 -26.288 9.082) 27.813 11.650 ( 0.000 6.279 -10.133) 11.921 12.291 ( 0.000 -18.290 -5.072) 18.980 12.790 ( 0.000 -7.811 2.652) 8.249 13.532 ( 0.000 -2.824 -2.584) 3.828 13.779 ( -0.000 7.944 -3.549) 8.701 13.928 ( 0.000 -10.716 8.770) 13.847 14.001 ( -0.000 -1.434 4.725) 4.938 14.460 ( 0.000 -0.488 -3.520) 3.553 14.985 ( -0.000 3.235 3.586) 4.830 15.323 ( -0.000 5.989 0.208) 5.992 15.726 ( 0.000 -2.953 3.368) 4.479 15.804 ( 0.000 -11.606 -0.724) 11.628 16.111 ( 0.000 0.734 -2.525) 2.630 17.270 ( -0.000 10.649 -0.352) 10.655 17.318 ( 0.000 -3.041 1.129) 3.244 17.461 ( 0.000 -0.647 -0.484) 0.808 17.557 ( 0.000 -3.058 -0.348) 3.078 17.971 ( -0.000 6.425 -4.759) 7.996 18.229 ( 0.000 0.378 -1.547) 1.592 18.727 ( -0.000 1.561 4.187) 4.468 18.992 ( 0.000 1.773 -5.410) 5.693 19.447 ( -0.000 9.857 0.453) 9.867 20.127 ( 0.000 -12.498 -5.092) 13.496 ======================= Grid point 21 (13/148) ======================= q-point: ( 0.35 -0.02 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 5.720 28.462 3.000) 29.186 2.804 ( 16.538 21.206 3.075) 27.068 3.223 ( 0.094 -11.017 -15.922) 19.362 3.492 ( 6.140 -13.674 -4.444) 15.634 5.015 ( 26.179 -5.810 -1.322) 26.848 5.186 ( -3.009 10.711 -0.697) 11.148 5.291 ( -3.606 -2.589 4.711) 6.473 6.479 ( -9.821 -1.585 -3.261) 10.469 7.175 ( 11.554 -7.832 11.880) 18.329 7.455 ( 7.980 6.163 -0.148) 10.084 7.669 ( 1.125 0.996 1.831) 2.369 8.144 ( -19.286 0.393 -0.533) 19.298 8.968 ( 12.706 -12.170 1.245) 17.638 9.283 ( -4.200 11.949 -10.748) 16.611 9.441 ( -2.285 -0.105 -5.791) 6.226 9.957 ( 17.773 6.218 -5.077) 19.502 10.104 ( -0.112 1.603 4.873) 5.131 10.829 ( 2.436 -2.691 8.859) 9.574 11.412 ( -1.987 17.581 5.470) 18.519 11.751 ( 0.791 -1.576 -10.027) 10.181 11.992 ( 4.881 -9.875 -3.874) 11.677 12.612 ( -6.456 -1.583 5.689) 8.750 13.229 ( -25.790 -4.825 6.989) 27.152 13.594 ( 9.932 -2.708 -0.300) 10.299 13.853 ( -3.156 -1.954 5.333) 6.498 14.364 ( -2.130 0.346 -0.327) 2.182 14.486 ( 12.232 7.933 -5.634) 15.630 15.062 ( 2.726 0.878 2.838) 4.032 15.521 ( 5.271 3.039 -0.575) 6.111 15.631 ( 3.228 -2.336 0.003) 3.984 15.719 ( 2.071 -0.439 2.288) 3.117 16.140 ( 1.015 1.458 -4.870) 5.184 17.132 ( -8.217 -2.680 4.545) 9.765 17.233 ( -11.585 -1.294 -0.030) 11.657 17.499 ( 2.977 3.947 1.080) 5.060 17.612 ( 5.726 -5.039 -0.963) 7.688 18.045 ( 0.221 0.245 -4.230) 4.243 18.221 ( 0.162 0.057 -1.026) 1.041 18.708 ( -2.103 -1.626 5.681) 6.272 18.967 ( -2.423 -2.350 -3.107) 4.588 19.607 ( -2.638 7.559 1.698) 8.184 19.804 ( -6.454 -10.488 -3.671) 12.850 ======================= Grid point 22 (14/148) ======================= q-point: (-0.15 -0.02 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 15.783 0.000 -24.289) 28.967 0.918 ( 21.106 0.000 -22.383) 30.765 1.610 ( 40.282 0.000 -35.592) 53.753 4.044 ( 1.629 0.000 -1.489) 2.207 4.755 ( 2.577 0.000 -3.921) 4.692 5.689 ( 10.299 -0.000 10.587) 14.769 5.937 ( -5.907 -0.000 14.877) 16.007 6.569 ( -0.167 -0.000 16.704) 16.705 6.806 ( 2.963 -0.000 0.567) 3.017 7.027 ( -28.109 0.000 -5.531) 28.648 7.595 ( 1.261 -0.000 6.255) 6.380 7.833 ( 8.795 -0.000 -4.537) 9.897 8.910 ( 5.880 0.000 -23.656) 24.376 8.937 ( 27.336 -0.000 6.692) 28.143 9.326 ( 27.637 -0.000 -12.430) 30.303 9.789 ( -0.655 -0.000 11.923) 11.941 10.141 ( 3.644 -0.000 -2.030) 4.171 10.498 ( 2.620 -0.000 5.215) 5.836 11.344 ( -1.009 -0.000 3.974) 4.100 12.196 ( -4.875 0.000 -7.315) 8.791 12.712 ( -32.923 0.000 -3.439) 33.102 13.046 ( 4.788 -0.000 7.769) 9.126 13.539 ( -6.626 0.000 -1.291) 6.750 14.122 ( 10.472 -0.000 1.327) 10.556 14.237 ( -13.244 0.000 0.305) 13.248 14.525 ( -1.289 -0.000 2.317) 2.651 14.668 ( 20.862 -0.000 15.462) 25.967 14.866 ( -0.828 0.000 -0.991) 1.291 15.336 ( 9.283 -0.000 0.488) 9.296 15.874 ( 4.695 -0.000 -3.032) 5.589 16.089 ( 0.588 -0.000 -0.155) 0.608 16.380 ( -1.443 0.000 0.527) 1.536 16.413 ( -23.280 0.000 -24.895) 34.084 16.834 ( 0.702 -0.000 -0.030) 0.703 17.102 ( -1.937 0.000 -1.624) 2.527 17.755 ( 0.072 -0.000 6.857) 6.858 18.061 ( -5.048 0.000 0.517) 5.074 18.302 ( 18.656 -0.000 19.424) 26.932 18.516 ( -1.922 0.000 0.435) 1.970 18.881 ( -0.443 -0.000 4.397) 4.419 19.130 ( 3.469 -0.000 1.718) 3.871 20.539 ( -24.743 0.000 -19.103) 31.260 ======================= Grid point 23 (15/148) ======================= q-point: (-0.15 -0.02 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 25.379 16.197 -5.367) 30.582 1.653 ( 18.664 21.868 -12.656) 31.413 2.637 ( 33.095 16.783 -19.483) 41.911 4.011 ( 2.358 -7.861 2.616) 8.614 4.733 ( 3.560 -9.187 -4.530) 10.844 5.797 ( -0.965 5.854 17.997) 18.950 6.037 ( -11.072 22.667 17.074) 30.462 6.525 ( -17.338 6.863 -8.236) 20.385 6.841 ( 6.546 -5.269 4.146) 9.370 6.913 ( 29.570 -3.695 3.617) 30.019 7.304 ( -14.281 -0.888 -7.858) 16.324 8.113 ( 14.157 -4.942 -0.517) 15.004 8.838 ( 3.085 -13.796 -18.860) 23.570 9.639 ( 25.999 0.537 9.020) 27.524 9.794 ( 4.737 3.787 6.039) 8.559 9.956 ( 13.655 -2.291 -5.230) 14.800 10.239 ( 16.699 5.549 -7.702) 19.208 10.486 ( 1.788 -0.661 4.833) 5.196 11.368 ( 0.101 3.639 0.556) 3.683 11.892 ( -33.102 -3.751 -0.516) 33.318 12.015 ( -13.008 -2.628 -6.763) 14.895 13.028 ( 1.212 -7.342 8.073) 10.979 13.391 ( -2.627 -6.841 -3.714) 8.215 13.864 ( -18.359 -2.260 1.912) 18.596 14.271 ( 6.977 -8.433 4.466) 11.821 14.381 ( -0.272 -5.082 0.010) 5.089 14.603 ( 3.032 -7.584 -8.661) 11.905 15.022 ( 5.120 -0.208 2.980) 5.928 15.529 ( 10.423 -3.683 -0.604) 11.071 15.929 ( 5.971 -4.317 -0.765) 7.407 16.031 ( 3.801 0.543 -4.292) 5.759 16.140 ( 1.971 2.045 -1.066) 3.033 16.667 ( -12.920 14.497 -1.092) 19.450 16.871 ( 0.344 0.891 0.214) 0.979 17.140 ( -2.952 7.559 -1.659) 8.283 17.789 ( -2.421 4.377 5.332) 7.311 17.930 ( -8.764 4.627 -0.753) 9.939 18.261 ( 4.836 -10.102 7.946) 13.733 18.619 ( -2.028 -2.014 1.491) 3.223 18.974 ( 0.532 9.392 9.349) 13.263 19.253 ( 5.564 1.256 1.130) 5.815 20.089 ( -16.093 -4.249 -11.938) 20.483 ======================= Grid point 24 (16/148) ======================= q-point: (-0.65 -0.02 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 3.275 -16.063 -14.065) 21.600 3.298 ( 9.372 -3.171 -11.307) 15.025 3.409 ( 5.528 19.933 -5.194) 21.327 3.947 ( 7.492 25.518 2.434) 26.706 4.380 ( -7.948 -30.147 0.935) 31.191 5.601 ( 30.977 -5.352 0.926) 31.449 5.903 ( 2.994 17.041 -3.489) 17.650 6.257 ( -5.490 2.452 -2.163) 6.390 7.174 ( 6.272 -9.174 7.735) 13.540 7.375 ( -3.394 -17.853 6.677) 19.361 7.832 ( -7.981 -7.031 -10.478) 14.930 8.073 ( 9.307 18.913 -1.910) 21.165 8.514 ( 6.686 -16.720 4.721) 18.616 9.379 ( 3.065 -1.314 1.901) 3.838 9.615 ( 5.170 -4.121 -0.772) 6.657 10.193 ( -1.857 15.724 -0.935) 15.861 10.442 ( 9.056 2.262 -5.424) 10.796 11.089 ( 2.326 15.979 0.080) 16.147 11.303 ( -1.967 -10.583 -6.000) 12.323 11.942 ( 1.922 -6.212 2.071) 6.825 11.958 ( 1.193 10.549 -6.067) 12.227 12.417 ( -17.219 5.639 2.999) 18.366 12.841 ( -5.546 7.130 9.648) 13.216 13.633 ( -12.837 -2.905 6.129) 14.519 13.847 ( 14.098 -0.460 1.844) 14.225 14.261 ( -1.479 -1.768 2.796) 3.623 14.833 ( -0.070 8.728 -4.480) 9.811 15.123 ( 6.720 -3.648 -0.847) 7.692 15.551 ( 7.245 -4.852 -1.409) 8.833 15.798 ( 2.139 4.156 0.937) 4.767 15.908 ( 5.165 9.016 -1.928) 10.568 16.236 ( 3.109 3.448 -3.450) 5.784 16.872 ( -9.993 -3.182 4.775) 11.524 16.963 ( -9.666 -2.035 0.016) 9.878 17.515 ( 0.790 -6.352 -1.839) 6.659 17.641 ( 3.241 -0.733 4.175) 5.336 17.996 ( 0.153 -5.265 -2.857) 5.992 18.238 ( -0.378 -0.329 -3.673) 3.707 18.600 ( -1.298 -4.040 7.066) 8.242 18.824 ( -3.748 -1.357 0.440) 4.010 19.447 ( -3.603 -9.168 -3.815) 10.563 19.697 ( -6.650 7.607 3.492) 10.690 ======================= Grid point 25 (17/148) ======================= q-point: (-0.65 -0.02 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 0.449 -9.517 -10.528) 14.199 3.294 ( -0.968 -29.871 -12.545) 32.413 3.542 ( -4.990 3.767 5.861) 8.570 3.868 ( -1.525 14.110 -8.959) 16.783 4.672 ( 2.286 22.676 2.808) 22.963 5.496 ( 1.208 -22.765 -0.527) 22.803 6.089 ( 2.462 -18.109 -8.225) 20.041 6.545 ( 3.438 10.897 0.238) 11.429 6.909 ( -5.792 -15.036 0.596) 16.124 7.044 ( 5.305 -4.512 -6.757) 9.704 7.623 ( 16.755 -8.060 1.856) 18.685 8.604 ( 8.009 10.696 -3.688) 13.862 8.804 ( 7.944 15.026 16.508) 23.694 9.296 ( -0.724 -2.875 13.425) 13.749 9.723 ( 13.334 -4.815 -9.855) 17.266 10.326 ( -9.036 4.924 -5.533) 11.684 10.502 ( 0.001 -0.593 -2.692) 2.757 10.892 ( -22.750 5.463 2.278) 23.507 11.483 ( 7.094 -5.304 -10.358) 13.629 11.906 ( 0.924 -3.742 0.210) 3.860 11.965 ( 5.452 3.276 -2.726) 6.920 12.524 ( 0.960 13.906 0.576) 13.951 12.949 ( -10.446 6.217 9.484) 15.418 13.293 ( -9.334 3.388 4.510) 10.906 14.064 ( 3.722 1.908 -1.257) 4.367 14.319 ( 8.555 0.151 7.908) 11.651 14.860 ( -3.303 1.118 4.936) 6.043 15.170 ( 3.806 -5.593 -4.492) 8.121 15.659 ( 5.872 1.214 -0.603) 6.027 15.955 ( 1.227 6.994 -1.143) 7.192 16.116 ( 1.836 4.539 -2.658) 5.572 16.331 ( 0.825 -0.098 -2.684) 2.810 16.621 ( -6.894 -3.324 1.428) 7.786 16.824 ( -3.404 3.337 -0.270) 4.775 17.318 ( -3.905 -8.785 -1.225) 9.692 17.670 ( 4.366 -4.717 3.766) 7.450 17.838 ( -1.860 -8.837 -0.381) 9.038 18.165 ( -3.206 1.021 -6.749) 7.542 18.514 ( 0.018 -2.117 5.642) 6.026 18.876 ( 3.816 -0.322 -2.484) 4.565 19.305 ( 4.819 -2.557 1.070) 5.560 19.689 ( -8.668 8.362 3.746) 12.613 ======================= Grid point 26 (18/148) ======================= q-point: (-0.15 -0.02 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 19.211 15.806 -0.705) 24.887 2.509 ( 18.712 21.558 -8.701) 29.843 3.510 ( 7.867 22.371 -2.730) 23.870 3.879 ( 5.505 -8.851 4.607) 11.395 4.527 ( 3.221 -17.621 -4.895) 18.570 5.930 ( -8.649 13.343 13.729) 21.008 6.246 ( 1.597 11.079 13.430) 17.483 6.704 ( -6.833 2.919 -0.031) 7.431 6.748 ( 2.159 13.696 1.742) 13.974 7.148 ( -0.740 3.523 -6.147) 7.124 7.575 ( 29.115 2.729 -4.536) 29.592 8.197 ( 8.552 -9.739 1.284) 13.024 8.581 ( 0.673 -12.239 -17.860) 21.662 9.712 ( 3.911 -6.160 3.994) 8.318 9.917 ( 0.984 -3.840 2.202) 4.535 10.223 ( 0.965 0.828 6.257) 6.385 10.473 ( 1.655 0.690 3.721) 4.130 10.771 ( -0.988 -0.097 -10.991) 11.036 11.311 ( -5.937 8.085 5.879) 11.627 11.583 ( 11.313 7.696 -2.106) 13.843 11.779 ( 1.701 -6.544 -7.126) 9.824 12.815 ( -1.860 -12.501 8.615) 15.296 13.137 ( -2.297 -12.538 -5.935) 14.060 13.379 ( -25.718 -0.748 0.337) 25.732 14.113 ( 1.545 -6.343 3.172) 7.258 14.475 ( 1.101 6.343 -1.874) 6.705 14.521 ( 1.941 -5.861 -9.322) 11.182 15.119 ( 7.080 -2.797 -0.318) 7.620 15.646 ( 6.734 -1.099 0.122) 6.824 16.019 ( 1.510 0.134 2.551) 2.968 16.110 ( 7.079 -3.060 2.265) 8.037 16.242 ( 2.719 1.886 -1.487) 3.628 16.608 ( -7.848 3.957 -0.622) 8.811 16.817 ( -3.403 -4.019 -0.111) 5.267 17.253 ( -1.634 9.742 -1.036) 9.932 17.819 ( -3.699 3.936 1.006) 5.494 17.935 ( -5.343 10.681 -0.277) 11.946 18.193 ( 2.745 -4.298 8.851) 10.215 18.499 ( -2.154 -3.185 -2.828) 4.773 19.119 ( -0.982 1.468 7.278) 7.489 19.359 ( 3.673 -1.694 -2.203) 4.606 19.646 ( -14.106 -3.830 -4.040) 15.165 ======================= Grid point 27 (19/148) ======================= q-point: (-0.15 -0.02 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 8.577 16.185 3.391) 18.629 3.195 ( 11.606 11.574 -8.901) 18.652 3.581 ( -0.375 -10.826 3.678) 11.440 4.065 ( 0.612 -15.390 2.094) 15.544 4.365 ( -1.057 25.765 2.351) 25.893 5.826 ( 1.593 -24.737 6.134) 25.536 6.285 ( -6.336 11.711 11.175) 17.383 6.809 ( 0.864 3.400 8.913) 9.578 7.091 ( 3.759 14.246 -0.466) 14.741 7.386 ( -4.336 20.785 -8.624) 22.917 7.820 ( -9.285 -5.884 -8.582) 13.946 8.245 ( 13.369 -23.162 0.253) 26.744 8.551 ( 6.320 20.062 -9.336) 23.013 9.563 ( -16.793 -5.688 2.206) 17.867 9.946 ( 16.678 -8.199 1.513) 18.645 10.007 ( -4.896 -7.854 -2.223) 9.519 10.235 ( -7.773 5.791 3.150) 10.192 10.728 ( 3.429 -8.824 3.445) 10.074 11.620 ( 7.251 9.758 1.772) 12.285 11.829 ( 3.680 3.491 -6.134) 7.959 12.108 ( 12.783 2.877 1.242) 13.161 12.494 ( -1.025 -13.613 7.197) 15.433 12.746 ( -26.794 -0.882 -3.535) 27.041 12.893 ( 5.899 -10.064 -6.401) 13.306 14.120 ( 0.718 2.864 -0.749) 3.046 14.353 ( -5.255 -4.643 -5.439) 8.875 14.708 ( 2.224 8.689 -2.182) 9.231 15.158 ( 6.827 -9.038 1.874) 11.480 15.762 ( 1.109 3.432 1.881) 4.068 15.942 ( -3.906 -2.931 -0.088) 4.884 16.189 ( -1.709 1.669 4.045) 4.698 16.320 ( 4.549 -1.697 -0.699) 4.906 16.553 ( -0.865 0.713 -0.693) 1.318 16.655 ( 0.451 -4.964 -0.897) 5.064 17.488 ( 2.131 11.442 0.204) 11.640 17.762 ( -4.492 -0.450 -1.174) 4.664 18.084 ( -1.955 9.343 1.337) 9.639 18.222 ( 3.758 0.375 6.741) 7.727 18.453 ( 1.326 0.928 -3.272) 3.651 18.796 ( -8.253 -15.520 -4.786) 18.218 19.421 ( 0.632 4.948 1.869) 5.327 19.522 ( -0.226 0.215 1.777) 1.804 ======================= Grid point 28 (20/148) ======================= q-point: ( 0.35 -0.02 -0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -7.005 -6.711 -1.078) 9.761 2.496 ( -14.786 -21.327 -0.856) 25.966 3.694 ( -3.565 9.769 8.188) 13.235 4.044 ( -4.228 8.733 -7.996) 12.573 4.971 ( 0.611 -0.224 7.030) 7.060 5.189 ( 5.384 -7.505 -6.557) 11.327 5.496 ( -5.656 -22.994 -20.189) 31.118 6.303 ( -1.519 -14.744 2.835) 15.091 6.925 ( -1.813 9.306 -4.506) 10.497 7.198 ( 0.632 3.436 -4.150) 5.425 7.968 ( 17.099 -1.259 23.024) 28.707 8.677 ( -24.148 4.899 -2.668) 24.784 9.148 ( 7.794 7.717 6.438) 12.717 9.396 ( 13.472 0.025 0.157) 13.473 9.821 ( -2.528 1.515 -11.158) 11.541 10.372 ( 5.363 2.563 0.772) 5.994 10.497 ( -9.074 5.049 -2.835) 10.764 10.567 ( 3.558 -5.530 1.625) 6.774 11.363 ( -9.627 1.021 -0.493) 9.693 11.712 ( -7.312 -9.772 4.097) 12.874 12.112 ( -7.249 0.950 -2.030) 7.587 12.819 ( 4.823 6.333 -3.828) 8.833 12.840 ( 11.184 1.831 1.672) 11.455 13.406 ( 1.767 6.049 4.675) 7.846 14.195 ( 0.384 7.678 -3.727) 8.543 14.488 ( 4.934 0.146 8.465) 9.799 14.832 ( -0.602 1.119 7.780) 7.883 15.048 ( 0.134 -8.298 -2.994) 8.823 15.803 ( 0.509 4.465 0.243) 4.501 16.097 ( -2.064 7.691 -2.105) 8.236 16.176 ( -0.189 -0.172 -0.497) 0.559 16.292 ( -2.767 -0.205 -0.813) 2.891 16.435 ( -1.672 -6.724 -1.061) 7.009 16.910 ( -0.299 5.437 0.036) 5.446 17.091 ( -1.455 -5.650 -0.280) 5.841 17.590 ( 0.950 -10.439 -0.242) 10.485 17.658 ( 2.678 -3.649 -0.902) 4.615 18.230 ( -0.538 7.902 -4.188) 8.960 18.510 ( 2.416 -2.442 3.512) 4.913 18.801 ( 0.045 -6.978 -8.568) 11.050 19.441 ( 1.708 -0.532 -0.947) 2.024 19.777 ( 2.007 10.316 7.903) 13.149 ======================= Grid point 29 (21/148) ======================= q-point: ( 0.35 -0.02 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -15.857 0.000 11.791) 19.760 2.064 ( -15.797 0.000 8.148) 17.774 3.557 ( -20.514 -0.000 18.996) 27.958 4.080 ( -1.117 0.000 -3.181) 3.371 4.952 ( 3.354 -0.000 -0.220) 3.361 5.219 ( 6.161 0.000 -15.214) 16.414 5.275 ( 4.051 0.000 -9.731) 10.541 6.239 ( 10.833 -0.000 6.297) 12.531 6.950 ( -5.865 0.000 -5.402) 7.974 7.216 ( -0.099 0.000 -2.439) 2.441 7.776 ( -40.455 0.000 4.513) 40.706 8.358 ( 1.197 -0.000 3.987) 4.162 9.331 ( 5.317 -0.000 19.092) 19.819 9.682 ( -6.645 0.000 -8.295) 10.629 9.895 ( 17.550 -0.000 -14.363) 22.678 10.099 ( -23.538 0.000 -4.081) 23.889 10.347 ( -5.175 0.000 -3.611) 6.311 10.967 ( -30.004 0.000 11.729) 32.215 11.088 ( 34.481 -0.000 5.529) 34.922 11.458 ( -2.427 0.000 1.438) 2.821 12.041 ( 4.190 -0.000 4.840) 6.402 12.935 ( 1.543 0.000 -6.252) 6.440 13.331 ( 25.440 -0.000 -4.374) 25.813 13.499 ( 0.620 -0.000 2.472) 2.549 14.326 ( 2.372 0.000 -4.336) 4.942 14.480 ( -5.787 0.000 2.593) 6.341 14.887 ( -0.252 0.000 -2.479) 2.492 14.921 ( -0.181 -0.000 5.074) 5.077 15.776 ( -8.017 0.000 -0.740) 8.051 16.140 ( -1.547 0.000 0.105) 1.551 16.173 ( -6.157 0.000 0.059) 6.158 16.276 ( 2.453 -0.000 5.882) 6.373 16.281 ( 2.157 -0.000 -0.238) 2.170 16.957 ( -4.795 0.000 0.110) 4.796 16.998 ( 3.188 -0.000 1.120) 3.379 17.572 ( 4.896 -0.000 -3.256) 5.879 17.690 ( 6.286 -0.000 -1.569) 6.479 18.401 ( -2.237 0.000 -7.835) 8.148 18.429 ( 2.455 -0.000 3.264) 4.084 18.732 ( 0.589 0.000 -7.151) 7.176 19.349 ( -7.069 0.000 -1.528) 7.232 20.059 ( 11.592 -0.000 5.894) 13.005 ======================= Grid point 30 (22/148) ======================= q-point: (-0.15 -0.02 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( -8.247 -18.614 -0.384) 20.363 3.295 ( 0.925 -0.317 2.782) 2.949 3.512 ( -7.018 -17.024 -0.349) 18.417 3.654 ( 0.099 16.231 -1.958) 16.349 5.088 ( 0.206 32.008 5.603) 32.496 5.160 ( 2.048 -35.142 3.600) 35.386 6.472 ( -3.920 8.233 8.656) 12.573 6.614 ( -18.983 1.157 14.662) 24.013 7.307 ( -5.097 -2.701 -10.246) 11.758 7.560 ( -4.723 1.292 -9.022) 10.265 7.625 ( -4.972 12.528 -8.323) 15.841 7.848 ( -1.350 -14.507 -2.221) 14.738 9.024 ( -1.758 -21.395 -0.731) 21.479 9.212 ( 2.780 21.218 5.637) 22.129 9.632 ( -1.501 -4.784 -3.224) 5.961 10.253 ( -11.964 12.070 4.499) 17.580 10.462 ( 11.804 -1.212 2.164) 12.061 10.687 ( 20.594 -7.011 -0.100) 21.755 11.555 ( -22.755 -7.714 -3.690) 24.309 11.889 ( 5.207 -11.730 -1.895) 12.972 12.051 ( -3.282 0.245 6.464) 7.254 12.269 ( -3.284 3.145 3.978) 6.041 12.549 ( 0.561 11.072 -8.755) 14.127 13.259 ( 22.302 4.562 -3.628) 23.051 14.095 ( -8.674 -1.062 -0.815) 8.777 14.245 ( -1.157 5.028 -6.160) 8.035 14.800 ( -3.778 -0.958 4.729) 6.128 15.059 ( 3.488 -8.748 -2.320) 9.699 15.768 ( -5.489 -3.261 0.328) 6.393 15.849 ( -2.443 5.546 2.469) 6.544 16.057 ( -11.371 0.358 1.568) 11.484 16.290 ( -2.110 -2.247 0.835) 3.193 16.660 ( 8.072 2.582 -1.812) 8.666 16.720 ( 9.915 -1.867 -0.960) 10.134 17.620 ( -3.252 -4.927 -0.435) 5.920 17.728 ( 0.882 7.611 0.502) 7.678 18.163 ( -1.501 1.426 4.625) 5.067 18.254 ( 0.264 -4.557 2.313) 5.117 18.462 ( 0.547 -0.965 -6.358) 6.454 18.726 ( 10.091 8.577 -1.813) 13.367 19.504 ( 1.074 -3.379 1.315) 3.781 19.557 ( 4.708 3.634 2.785) 6.567 ======================= Grid point 31 (23/148) ======================= q-point: (-0.15 -0.02 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -14.354 -26.163 -1.439) 29.876 2.536 ( -21.902 -26.615 -6.615) 35.098 3.625 ( 2.373 8.757 5.786) 10.761 3.992 ( -1.756 8.305 1.921) 8.703 4.246 ( -5.661 -34.976 -6.281) 35.983 5.814 ( -0.379 27.545 1.361) 27.581 5.988 ( -31.694 6.388 7.866) 33.275 6.529 ( -5.674 2.648 10.086) 11.872 7.209 ( 9.391 -18.915 -0.991) 21.141 7.357 ( -8.702 -1.417 -5.774) 10.539 7.470 ( 6.888 -7.881 -7.168) 12.686 7.983 ( -1.142 7.945 -0.996) 8.088 8.501 ( 2.064 -23.911 -4.352) 24.391 9.435 ( -8.057 7.634 3.640) 11.681 9.802 ( 3.369 7.986 -2.232) 8.950 10.104 ( -14.156 -1.824 5.762) 15.392 10.341 ( -13.388 -4.453 1.768) 14.219 10.865 ( -0.895 -15.243 -7.089) 16.835 11.098 ( -9.255 18.128 -2.320) 20.485 11.799 ( 2.583 -10.997 3.545) 11.839 12.091 ( 25.407 -2.606 -2.304) 25.644 12.517 ( -0.570 15.997 3.725) 16.435 12.926 ( 6.712 13.934 -4.457) 16.096 13.726 ( 10.532 5.083 -3.203) 12.125 13.919 ( -9.251 4.446 0.165) 10.265 14.336 ( 0.261 3.638 -1.885) 4.106 14.575 ( -4.748 -7.842 4.348) 10.146 14.962 ( -3.338 -1.864 -7.414) 8.342 15.522 ( -7.915 -4.965 0.101) 9.344 15.844 ( -8.926 3.197 1.328) 9.574 15.935 ( -3.616 7.120 0.961) 8.043 16.211 ( -2.418 -1.460 1.458) 3.179 16.912 ( 9.219 1.091 -1.359) 9.383 16.926 ( 13.957 -2.524 -0.678) 14.200 17.445 ( -1.358 -6.605 -0.885) 6.801 17.840 ( -2.339 4.859 -0.126) 5.394 18.128 ( -0.346 -2.455 9.636) 9.950 18.182 ( 2.375 -4.543 0.923) 5.209 18.519 ( 3.217 0.031 -6.928) 7.638 19.047 ( 2.264 5.698 2.404) 6.586 19.426 ( 0.659 -6.080 1.144) 6.222 19.845 ( 13.268 6.705 1.283) 14.921 ======================= Grid point 32 (24/148) ======================= q-point: ( 0.35 -0.02 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -18.841 9.313 15.277) 25.983 1.964 ( -13.899 19.351 18.676) 30.273 3.084 ( -23.122 9.739 23.661) 34.487 3.984 ( 1.264 -8.762 0.829) 8.892 4.840 ( -4.766 -10.395 5.940) 12.886 5.507 ( 5.601 8.103 -12.245) 15.716 5.718 ( 10.932 25.134 -13.791) 30.682 6.579 ( -13.249 -2.097 -6.931) 15.099 6.694 ( 1.503 2.830 0.346) 3.223 6.904 ( -6.010 -1.345 -0.649) 6.193 7.399 ( 4.272 1.248 -0.032) 4.450 8.207 ( -12.746 -5.137 9.591) 16.758 9.136 ( -11.993 -18.010 8.084) 23.099 9.473 ( -11.580 -1.367 -9.396) 14.975 9.763 ( -10.313 12.329 3.892) 16.538 10.048 ( 0.889 -5.902 2.270) 6.386 10.235 ( -10.562 -1.080 -2.910) 11.008 10.513 ( -14.115 10.971 6.499) 19.022 11.384 ( -3.646 4.321 2.952) 6.378 11.897 ( 33.651 -7.141 -0.579) 34.405 12.166 ( 12.631 -3.457 7.936) 15.313 12.894 ( 1.195 -6.190 -5.239) 8.197 13.426 ( 0.193 -6.737 -0.525) 6.760 13.806 ( 18.600 -1.864 -4.131) 19.144 14.175 ( -6.920 -8.959 -5.233) 12.471 14.366 ( -2.252 -1.660 -1.860) 3.360 14.763 ( -6.270 -2.643 6.600) 9.479 14.963 ( -2.906 2.662 -2.117) 4.474 15.531 ( -10.941 -2.491 -0.454) 11.230 15.965 ( -2.966 -6.818 3.044) 8.034 16.094 ( -1.566 -2.188 1.679) 3.171 16.188 ( -1.594 -0.595 3.716) 4.088 16.690 ( 12.163 12.496 0.923) 17.463 16.870 ( 0.233 0.752 0.186) 0.809 17.180 ( 3.326 7.764 2.225) 8.734 17.658 ( -0.047 4.717 -6.942) 8.393 17.930 ( 8.695 4.092 -0.963) 9.658 18.144 ( -4.864 -9.451 -2.788) 10.988 18.623 ( 2.483 3.962 1.794) 5.008 18.787 ( -0.690 6.766 -9.889) 12.002 19.215 ( -5.902 1.718 -2.428) 6.609 20.236 ( 14.052 -8.906 2.330) 16.799 ======================= Grid point 33 (25/148) ======================= q-point: ( 0.35 -0.02 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -13.460 19.921 15.914) 28.832 1.883 ( -20.961 16.449 21.926) 34.507 3.367 ( -3.407 40.384 18.616) 44.599 3.784 ( 0.868 -12.616 -0.652) 12.662 4.438 ( -3.615 -19.764 1.297) 20.134 5.292 ( -22.821 -6.204 -12.783) 26.883 6.189 ( 5.127 10.109 -15.356) 19.086 6.485 ( 6.382 -15.510 6.911) 18.140 6.908 ( 6.127 26.389 1.412) 27.128 7.280 ( 11.090 6.689 0.824) 12.978 7.591 ( 4.441 6.876 -0.849) 8.229 7.752 ( -15.295 -1.148 3.225) 15.674 8.586 ( -5.200 -7.889 -1.491) 9.566 9.137 ( -14.448 -2.568 1.388) 14.740 9.679 ( -15.412 4.826 3.574) 16.541 9.957 ( -7.192 7.373 3.790) 10.975 10.107 ( 4.201 -7.564 2.503) 9.007 10.623 ( -0.888 14.277 10.223) 17.583 11.428 ( -2.589 4.763 0.051) 5.422 11.798 ( 3.658 -24.133 1.159) 24.436 12.558 ( 9.844 -9.778 -4.477) 14.579 12.829 ( 8.568 -4.022 1.440) 9.573 13.352 ( 11.735 -5.801 -0.833) 13.117 13.774 ( -7.728 -6.529 -3.402) 10.673 14.008 ( 3.273 -5.695 -1.759) 6.800 14.336 ( -0.867 -1.502 3.067) 3.523 14.502 ( -9.606 -3.035 3.497) 10.663 14.947 ( -1.609 1.831 1.844) 3.056 15.314 ( -6.429 1.178 0.099) 6.537 15.817 ( -1.339 -4.305 3.111) 5.478 16.007 ( -0.641 -5.360 0.033) 5.399 16.127 ( -2.713 -0.355 1.842) 3.298 16.997 ( 4.148 7.945 -0.321) 8.969 17.183 ( 14.505 4.223 -2.307) 15.283 17.356 ( 0.714 3.532 2.129) 4.185 17.762 ( -5.376 4.451 -9.575) 11.849 17.857 ( -3.920 -1.519 1.344) 4.414 18.157 ( 3.435 3.683 -0.514) 5.062 18.682 ( 2.040 -0.119 2.783) 3.452 18.925 ( -0.894 5.617 -8.685) 10.381 19.247 ( -0.406 8.366 -1.850) 8.578 20.278 ( 9.486 -12.101 -3.036) 15.673 ======================= Grid point 34 (26/148) ======================= q-point: (-0.15 -0.02 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -25.257 -23.731 -6.699) 35.299 1.548 ( -18.990 -24.457 -10.604) 32.729 2.994 ( -7.907 -53.326 -16.983) 56.521 3.838 ( 1.395 7.690 3.515) 8.570 4.412 ( -1.653 16.852 -1.125) 16.970 5.499 ( -22.241 9.579 7.899) 25.472 6.367 ( 0.932 19.885 -3.187) 20.160 6.498 ( 5.911 -4.944 12.807) 14.946 6.910 ( 0.020 -20.570 1.717) 20.641 7.225 ( 13.425 -6.945 -4.125) 15.667 7.602 ( 6.423 -5.588 0.965) 8.568 7.769 ( -10.717 -7.068 4.082) 13.471 8.446 ( 2.495 8.063 -16.824) 18.822 9.144 ( -21.851 -2.752 5.708) 22.752 9.635 ( -18.426 -7.842 -1.460) 20.079 9.830 ( -4.980 -4.557 -7.139) 9.825 10.138 ( 1.024 2.993 1.825) 3.652 10.475 ( -3.355 -11.683 -3.921) 12.771 11.419 ( 0.317 6.099 -1.260) 6.236 11.791 ( 2.510 12.072 0.699) 12.350 12.642 ( 15.752 6.635 3.482) 17.443 12.792 ( 3.763 7.959 -1.563) 8.941 13.336 ( 12.062 6.821 -2.031) 14.005 13.824 ( -8.083 7.615 1.846) 11.257 14.025 ( 2.608 8.756 -0.504) 9.150 14.224 ( -12.494 -0.117 -5.182) 13.526 14.502 ( 2.104 1.119 1.395) 2.761 14.881 ( -2.649 1.197 -4.499) 5.356 15.312 ( -6.033 -0.947 -0.077) 6.108 15.770 ( -3.718 2.654 -1.445) 4.791 16.006 ( -0.359 2.999 0.010) 3.020 16.108 ( -3.196 -2.373 -0.405) 4.001 17.003 ( 4.312 -7.362 0.228) 8.535 17.194 ( 17.272 -2.651 -0.417) 17.479 17.319 ( -0.128 -4.606 -1.584) 4.873 17.832 ( -7.448 4.749 -0.674) 8.859 18.011 ( -2.608 -5.678 14.228) 15.540 18.172 ( 3.884 -4.001 0.968) 5.659 18.591 ( 1.500 2.586 -6.578) 7.225 19.078 ( -1.149 -1.887 6.169) 6.553 19.287 ( -0.221 -7.917 1.789) 8.120 20.292 ( 12.145 8.675 -1.119) 14.967 ======================= Grid point 35 (27/148) ======================= q-point: (-0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 0.000 -16.982 -24.003) 29.403 1.649 ( 0.000 -21.071 -21.976) 30.446 3.333 ( 0.000 -44.241 -21.074) 49.004 3.795 ( -0.000 13.221 0.828) 13.247 4.395 ( -0.000 20.423 0.448) 20.428 5.026 ( -0.000 7.548 13.240) 15.240 6.263 ( -0.000 -7.062 14.550) 16.173 6.584 ( -0.000 5.081 -4.466) 6.765 6.972 ( 0.000 -2.405 -9.208) 9.517 7.481 ( 0.000 -26.878 4.330) 27.225 7.502 ( -0.000 8.341 1.125) 8.417 7.620 ( 0.000 -5.813 -6.176) 8.482 8.552 ( -0.000 -3.699 13.217) 13.725 8.975 ( -0.000 8.820 -8.482) 12.237 9.467 ( 0.000 -5.896 -6.718) 8.939 9.883 ( 0.000 -9.254 -3.663) 9.952 10.160 ( -0.000 9.283 -3.317) 9.858 10.624 ( 0.000 -15.101 -12.880) 19.848 11.396 ( 0.000 -5.267 2.995) 6.059 11.836 ( -0.000 26.390 -2.696) 26.528 12.628 ( -0.000 14.222 3.560) 14.661 12.917 ( -0.000 3.851 1.119) 4.010 13.595 ( -0.000 3.263 4.081) 5.225 13.683 ( -0.000 2.208 3.871) 4.456 14.049 ( 0.000 3.050 -5.634) 6.407 14.184 ( -0.000 11.542 -8.637) 14.416 14.455 ( -0.000 -1.068 4.999) 5.112 14.934 ( 0.000 -1.455 -2.847) 3.198 15.243 ( 0.000 -2.216 0.185) 2.224 15.804 ( -0.000 4.517 -4.119) 6.113 16.000 ( -0.000 6.880 0.455) 6.895 16.096 ( 0.000 -0.357 -2.535) 2.560 17.046 ( 0.000 -10.495 0.539) 10.508 17.323 ( 0.000 -3.108 2.591) 4.047 17.464 ( 0.000 -2.402 2.820) 3.704 17.605 ( -0.000 2.278 0.962) 2.473 17.825 ( 0.000 -5.604 2.184) 6.015 18.195 ( 0.000 -2.652 1.189) 2.906 18.704 ( 0.000 -0.102 -2.632) 2.634 18.916 ( 0.000 -6.023 8.464) 10.389 19.244 ( 0.000 -9.566 1.687) 9.714 20.385 ( -0.000 13.009 4.740) 13.846 ======================= Grid point 36 (28/148) ======================= q-point: ( 0.21 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -0.000 26.518 17.579) 31.816 1.368 ( -0.000 30.696 6.645) 31.407 2.915 ( -0.000 56.770 18.994) 59.863 3.857 ( 0.000 -6.652 -4.051) 7.789 4.394 ( 0.000 -16.808 0.223) 16.810 5.240 ( 0.000 -12.048 -7.775) 14.339 6.374 ( 0.000 -19.497 4.031) 19.909 6.681 ( -0.000 13.674 -14.698) 20.075 6.800 ( -0.000 -0.356 6.661) 6.670 7.517 ( 0.000 -9.845 -0.082) 9.845 7.529 ( -0.000 3.744 3.166) 4.903 7.632 ( -0.000 32.893 -9.593) 34.263 8.614 ( -0.000 -4.893 24.258) 24.747 8.826 ( 0.000 6.203 -13.479) 14.838 9.368 ( -0.000 12.893 3.821) 13.448 9.771 ( -0.000 5.056 6.888) 8.544 10.180 ( 0.000 -8.829 -3.422) 9.469 10.430 ( -0.000 16.464 6.522) 17.708 11.425 ( 0.000 -7.311 0.404) 7.322 11.817 ( 0.000 -12.752 -1.054) 12.795 12.683 ( 0.000 -13.072 -1.952) 13.217 12.924 ( 0.000 -7.031 0.212) 7.034 13.674 ( 0.000 -4.231 -3.961) 5.796 13.675 ( -0.000 1.481 4.497) 4.735 13.934 ( -0.000 -2.278 5.582) 6.029 14.065 ( 0.000 -13.283 2.465) 13.510 14.537 ( 0.000 0.003 -3.070) 3.070 14.855 ( -0.000 -0.728 4.816) 4.871 15.246 ( -0.000 1.790 -0.118) 1.794 15.733 ( 0.000 -2.909 2.745) 3.999 16.007 ( 0.000 -6.490 -0.235) 6.494 16.067 ( -0.000 5.320 0.703) 5.366 17.055 ( -0.000 10.380 -0.334) 10.385 17.312 ( -0.000 2.481 1.589) 2.946 17.503 ( 0.000 -2.719 -0.105) 2.721 17.620 ( 0.000 -2.790 -0.546) 2.843 17.992 ( 0.000 8.259 -13.637) 15.943 18.216 ( -0.000 3.096 -0.842) 3.209 18.607 ( -0.000 -2.288 7.241) 7.594 19.066 ( 0.000 2.488 -5.968) 6.466 19.285 ( -0.000 8.637 -2.043) 8.876 20.431 ( 0.000 -10.944 -0.339) 10.949 ======================= Grid point 37 (29/148) ======================= q-point: ( 0.21 -0.04 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 23.231 34.049 6.212) 41.685 2.115 ( 9.863 29.854 3.114) 31.595 3.682 ( -2.626 -6.652 -7.689) 10.501 3.970 ( 0.136 -10.385 -1.481) 10.491 4.135 ( 4.416 41.864 7.340) 42.731 5.276 ( 26.690 -11.700 -4.848) 29.542 5.856 ( -1.455 -29.741 3.404) 29.970 6.571 ( -7.378 2.359 -6.511) 10.119 7.109 ( 13.509 -1.084 3.730) 14.056 7.328 ( -3.273 5.247 1.023) 6.269 7.622 ( -0.864 -0.538 1.308) 1.658 8.086 ( -12.854 4.677 1.762) 13.792 8.601 ( -6.973 33.675 3.847) 34.604 9.160 ( 16.857 -0.945 -8.160) 18.752 9.765 ( 10.855 2.954 -0.276) 11.253 9.902 ( 0.487 2.358 6.049) 6.511 10.078 ( 8.232 -1.431 -6.770) 10.754 10.836 ( 0.686 21.669 5.744) 22.428 10.979 ( 3.364 -27.608 7.908) 28.915 11.834 ( -1.144 9.363 -6.873) 11.671 12.386 ( -0.103 -16.197 -4.983) 16.946 12.633 ( -9.177 -9.352 5.249) 14.115 13.220 ( -22.584 -5.306 3.576) 23.473 13.702 ( 8.441 -5.384 -0.824) 10.045 13.839 ( -1.458 -7.737 4.017) 8.839 14.305 ( 11.640 6.911 -1.650) 13.637 14.483 ( -1.120 0.090 -1.983) 2.279 14.902 ( 1.813 3.078 6.557) 7.467 15.377 ( 5.180 5.717 0.085) 7.715 15.709 ( 3.776 -3.169 0.792) 4.993 15.855 ( 3.428 -10.369 -0.395) 10.928 16.172 ( 1.209 3.009 -1.929) 3.773 17.107 ( -8.937 0.862 1.092) 9.044 17.228 ( -14.120 1.206 0.453) 14.179 17.390 ( 3.937 3.954 0.757) 5.631 17.733 ( 7.642 -4.816 -0.135) 9.034 18.127 ( -0.176 4.371 -10.602) 11.469 18.233 ( -2.076 1.556 -0.952) 2.764 18.577 ( -2.102 0.635 8.138) 8.429 19.077 ( -0.809 -1.537 -3.418) 3.834 19.440 ( -0.593 6.904 -0.482) 6.946 20.100 ( -9.551 -10.199 -2.329) 14.166 ======================= Grid point 38 (30/148) ======================= q-point: (-0.29 -0.04 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 10.862 -6.888 -25.299) 28.380 1.612 ( 18.946 -11.569 -24.829) 33.306 2.660 ( 14.392 -26.072 -33.599) 44.898 4.017 ( -1.561 8.975 -4.037) 9.964 4.750 ( 3.424 10.522 -4.803) 12.062 5.393 ( 17.444 3.514 15.964) 23.906 5.832 ( -4.192 -20.420 20.701) 29.378 6.459 ( -13.545 -13.099 1.755) 18.924 6.748 ( -0.655 8.537 -4.189) 9.532 7.179 ( -20.534 -3.723 -3.443) 21.151 7.490 ( 1.291 -2.729 4.411) 5.345 7.851 ( 16.838 5.107 -5.673) 18.487 8.752 ( 20.642 7.007 3.707) 22.112 9.216 ( 7.869 4.756 -7.086) 11.609 9.596 ( 15.296 -2.618 -6.145) 16.691 9.781 ( 8.634 -9.248 -4.024) 13.276 10.225 ( -5.406 3.297 -3.715) 7.341 10.434 ( 0.899 -3.949 -5.739) 7.025 11.312 ( 2.845 -4.419 2.347) 5.756 12.228 ( -5.739 15.049 -6.968) 17.549 12.662 ( -21.703 2.078 3.500) 22.081 12.927 ( -2.306 4.687 0.096) 5.224 13.472 ( -6.710 4.893 2.055) 8.555 13.952 ( 8.585 9.453 5.315) 13.832 14.126 ( -8.441 5.517 3.120) 10.556 14.364 ( 0.999 2.256 1.338) 2.806 14.551 ( 11.376 0.772 -1.878) 11.556 14.928 ( 0.774 -0.470 -1.774) 1.991 15.314 ( 8.504 0.573 0.681) 8.551 15.915 ( 1.705 4.703 -4.859) 6.974 16.079 ( 0.130 2.393 -1.198) 2.679 16.160 ( 0.934 5.185 -5.703) 7.764 16.860 ( -1.538 -5.162 0.831) 5.450 17.009 ( -13.746 -13.931 3.214) 19.833 17.237 ( -2.226 -7.335 -2.694) 8.125 17.650 ( 0.299 -3.190 6.994) 7.693 17.986 ( 9.430 8.391 0.400) 12.629 18.089 ( -5.245 -2.462 0.343) 5.804 18.664 ( -1.361 -6.411 -0.632) 6.584 18.774 ( 0.483 -4.440 9.495) 10.493 19.122 ( 2.813 -3.735 2.621) 5.360 20.518 ( -11.498 10.602 2.732) 15.876 ======================= Grid point 39 (31/148) ======================= q-point: (-0.29 -0.04 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 14.319 0.000 -20.959) 25.383 1.724 ( 15.800 0.000 -19.032) 24.736 3.003 ( 30.279 0.000 -28.012) 41.249 4.080 ( -1.059 0.000 -1.660) 1.969 4.940 ( 3.352 0.000 -6.159) 7.012 5.419 ( -8.309 -0.000 18.740) 20.500 5.438 ( -11.769 0.000 8.206) 14.348 6.598 ( -22.540 0.000 -6.315) 23.408 6.643 ( 30.120 -0.000 14.609) 33.476 6.950 ( 12.751 -0.000 1.927) 12.895 7.389 ( -4.897 0.000 0.633) 4.938 8.261 ( 12.102 -0.000 -9.782) 15.561 9.438 ( 5.359 0.000 -15.521) 16.420 9.486 ( 32.038 -0.000 3.989) 32.286 9.526 ( -3.349 -0.000 8.952) 9.559 10.154 ( -6.631 0.000 5.280) 8.476 10.255 ( 34.798 -0.000 -12.928) 37.121 10.346 ( -3.727 -0.000 4.101) 5.541 11.341 ( 3.381 0.000 -2.801) 4.391 11.956 ( -39.505 0.000 -0.949) 39.517 12.214 ( -9.484 0.000 -8.778) 12.922 12.956 ( -0.756 -0.000 5.711) 5.761 13.497 ( 0.455 -0.000 0.299) 0.544 13.823 ( -20.587 0.000 4.982) 21.181 14.287 ( 11.448 -0.000 3.800) 12.062 14.393 ( -3.644 -0.000 4.523) 5.808 14.797 ( 8.835 -0.000 4.791) 10.050 14.921 ( -0.118 0.000 -4.872) 4.873 15.557 ( 11.814 -0.000 1.031) 11.859 16.052 ( 5.198 -0.000 -3.501) 6.267 16.111 ( 1.141 -0.000 -0.190) 1.157 16.329 ( -2.177 0.000 0.555) 2.247 16.408 ( -10.160 0.000 -10.515) 14.622 16.873 ( 2.856 -0.000 -0.308) 2.872 17.079 ( -3.853 0.000 -2.100) 4.388 17.613 ( -0.335 -0.000 6.462) 6.471 17.887 ( -10.182 0.000 0.240) 10.185 18.313 ( 6.580 -0.000 6.768) 9.440 18.476 ( -1.923 0.000 -1.095) 2.213 18.748 ( -0.858 -0.000 7.041) 7.093 19.196 ( 6.715 -0.000 2.200) 7.066 20.336 ( -14.375 0.000 -2.913) 14.667 ======================= Grid point 40 (32/148) ======================= q-point: ( 0.21 -0.04 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 8.500 26.264 -0.385) 27.608 3.147 ( 15.591 29.699 0.728) 33.551 3.443 ( -1.236 -8.561 -8.212) 11.927 3.640 ( 1.199 -12.953 0.395) 13.014 5.121 ( -2.698 -27.024 -2.006) 27.232 5.186 ( -0.382 35.610 0.029) 35.612 5.845 ( 43.482 -7.959 -4.338) 44.416 6.464 ( -2.718 -5.999 -7.779) 10.193 7.218 ( 10.028 -9.089 5.713) 14.690 7.528 ( 4.915 -7.186 6.639) 10.948 7.606 ( -8.419 17.153 5.337) 19.839 7.823 ( -2.570 2.129 1.858) 3.820 9.040 ( -1.603 -2.275 1.884) 3.361 9.292 ( -5.807 5.282 -11.036) 13.543 9.689 ( -2.737 6.515 1.226) 7.172 9.994 ( 10.396 -11.590 -1.846) 15.678 10.442 ( 9.522 4.746 -1.859) 10.801 10.900 ( 14.951 3.501 -0.720) 15.373 11.215 ( -3.891 14.037 7.507) 16.387 11.963 ( -1.194 2.167 -9.809) 10.116 12.162 ( 2.936 -1.188 -2.300) 3.914 12.242 ( -14.323 -2.136 4.229) 15.087 12.668 ( -11.565 -9.938 7.813) 17.133 13.605 ( -9.987 -5.680 5.124) 12.580 13.856 ( 13.107 -2.427 0.427) 13.336 14.260 ( -4.056 -3.302 2.321) 5.722 14.758 ( 2.028 8.415 -6.637) 10.908 15.054 ( 3.750 6.581 5.213) 9.195 15.646 ( 5.641 4.470 0.217) 7.201 15.757 ( 5.943 -5.998 -1.095) 8.514 15.819 ( 10.063 0.282 -0.674) 10.089 16.246 ( 1.448 2.243 -2.877) 3.925 16.853 ( -9.621 -4.056 3.466) 11.001 16.967 ( -12.780 1.216 0.185) 12.839 17.551 ( 3.267 3.241 0.524) 4.632 17.714 ( 2.339 -7.179 -0.559) 7.571 18.153 ( -0.265 -1.223 -6.101) 6.228 18.246 ( 0.407 2.929 -1.206) 3.193 18.514 ( -3.204 -1.293 7.060) 7.860 18.915 ( -7.134 -6.626 -0.599) 9.754 19.537 ( -1.814 4.981 0.129) 5.302 19.702 ( -8.601 -7.623 -3.008) 11.880 ======================= Grid point 41 (33/148) ======================= q-point: ( 0.21 -0.04 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -3.858 -12.921 -9.217) 16.334 3.389 ( -6.104 -0.382 6.038) 8.594 3.563 ( 1.475 13.998 -2.679) 14.328 4.040 ( 3.687 23.316 0.419) 23.609 4.337 ( 0.306 -30.814 -5.296) 31.267 5.856 ( -0.606 14.172 -5.469) 15.203 6.211 ( -0.501 -1.081 -5.251) 5.384 6.555 ( 29.404 -10.562 -7.207) 32.064 7.173 ( -2.584 -11.844 -0.165) 12.123 7.262 ( 5.073 -11.995 5.623) 14.185 7.696 ( -1.440 5.969 10.881) 12.494 8.284 ( 5.107 23.050 -1.409) 23.651 8.657 ( 1.285 -22.953 -3.012) 23.185 9.171 ( 8.224 -6.999 10.021) 14.732 9.997 ( 10.861 -4.875 -6.798) 13.709 10.071 ( -6.209 23.333 0.943) 24.163 10.482 ( -16.099 0.353 -1.203) 16.148 10.844 ( -13.554 5.525 -2.692) 14.882 11.712 ( 11.663 7.490 4.017) 14.431 11.844 ( -0.609 -10.390 -8.900) 13.695 12.081 ( 1.395 -0.809 1.856) 2.459 12.292 ( 7.947 6.824 -3.602) 11.077 12.579 ( -1.699 10.843 9.056) 14.229 13.187 ( -18.317 -1.703 3.930) 18.811 14.084 ( 7.168 -1.261 -0.122) 7.279 14.190 ( 5.471 -1.163 5.968) 8.179 14.782 ( -4.593 -1.067 1.331) 4.899 15.253 ( -0.693 6.316 -2.845) 6.961 15.721 ( 4.786 -4.098 -2.059) 6.629 15.840 ( 4.659 2.692 1.630) 5.622 16.095 ( 6.010 3.839 -3.743) 8.054 16.343 ( 1.770 2.637 -1.066) 3.350 16.615 ( -5.917 -1.665 2.822) 6.763 16.767 ( -8.612 2.689 -0.075) 9.022 17.537 ( -1.913 -10.010 -0.949) 10.235 17.662 ( 4.637 -0.982 1.720) 5.042 18.057 ( 0.464 -8.433 -2.368) 8.771 18.303 ( -3.214 -0.250 -5.295) 6.199 18.477 ( 0.727 -0.771 2.589) 2.797 18.694 ( -0.881 6.349 6.431) 9.080 19.450 ( -2.351 -6.840 -2.657) 7.705 19.561 ( -3.249 2.596 -0.225) 4.165 ======================= Grid point 42 (34/148) ======================= q-point: (-0.29 -0.04 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 19.403 9.527 -5.707) 22.356 2.221 ( 10.999 20.738 -11.913) 26.324 3.509 ( 15.041 -2.522 -13.954) 20.672 3.980 ( 1.345 -8.665 3.543) 9.457 4.935 ( 3.752 -8.533 -6.775) 11.523 5.356 ( -8.473 13.542 10.814) 19.291 5.487 ( -6.535 23.763 16.196) 29.490 6.379 ( -8.705 13.283 -4.750) 16.576 6.870 ( 3.922 -7.886 3.978) 9.664 7.176 ( 2.320 -3.884 4.398) 6.310 7.747 ( 38.258 -2.101 -5.153) 38.661 8.331 ( 0.319 -2.778 -5.257) 5.955 9.214 ( -1.672 -11.219 -19.025) 22.150 9.647 ( 5.609 -1.883 10.347) 11.919 9.859 ( -13.796 -2.828 12.712) 18.972 10.119 ( 17.466 0.719 1.686) 17.561 10.380 ( 6.631 3.555 1.276) 7.632 10.990 ( 6.344 -0.341 -9.332) 11.290 11.116 ( -17.474 4.289 -2.361) 18.147 11.516 ( 7.607 5.277 -3.358) 9.848 12.005 ( -2.821 -3.606 -4.813) 6.643 12.865 ( -1.738 -6.826 6.257) 9.421 13.315 ( -22.537 -1.933 4.647) 23.092 13.441 ( -3.299 -5.021 -2.821) 6.637 14.209 ( -0.872 -8.916 3.872) 9.760 14.483 ( 5.027 0.091 -2.393) 5.568 14.822 ( 0.695 -3.174 -9.043) 9.609 15.028 ( 2.233 5.942 4.113) 7.564 15.730 ( 7.064 -4.246 0.014) 8.242 16.035 ( 3.524 -7.177 0.112) 7.996 16.144 ( 2.649 -1.043 -0.114) 2.849 16.229 ( 2.529 1.273 -2.305) 3.651 16.488 ( -6.486 9.119 -0.798) 11.219 16.888 ( 1.463 -3.487 0.104) 3.783 17.109 ( -2.829 7.134 -1.403) 7.802 17.637 ( -2.242 6.143 3.459) 7.398 17.755 ( -6.850 6.297 1.259) 9.389 18.208 ( 1.701 -9.435 4.194) 10.464 18.566 ( -2.781 2.673 -2.712) 4.716 18.798 ( 0.320 7.428 9.485) 12.051 19.356 ( 6.888 0.548 1.873) 7.159 19.954 ( -12.197 -9.573 -5.461) 16.439 ======================= Grid point 43 (35/148) ======================= q-point: (-0.29 -0.04 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 5.874 11.629 2.293) 13.228 3.066 ( 15.641 28.737 -5.712) 33.213 3.554 ( -1.969 -1.719 0.458) 2.653 3.840 ( 1.534 -8.660 8.029) 11.909 4.683 ( 1.061 -20.648 -4.031) 21.064 5.569 ( -5.572 21.249 4.443) 22.412 6.015 ( 4.220 17.426 13.338) 22.347 6.625 ( -3.895 3.516 -2.874) 5.982 6.787 ( 5.142 13.298 3.087) 14.588 7.114 ( -1.014 -2.322 5.675) 6.215 8.004 ( -12.105 2.025 -16.328) 20.426 8.520 ( 20.255 -10.473 6.713) 23.770 8.915 ( -2.935 -13.155 -18.451) 22.850 9.451 ( -14.922 4.947 3.386) 16.081 9.860 ( 3.153 4.609 10.181) 11.612 10.246 ( -5.516 -8.762 -1.663) 10.486 10.313 ( 8.567 -10.413 -1.232) 13.540 10.706 ( -1.514 3.292 3.127) 4.786 11.414 ( 7.235 5.867 1.716) 9.471 11.860 ( 3.633 4.813 -5.148) 7.929 12.094 ( 10.569 -0.533 0.438) 10.592 12.629 ( -2.674 -11.960 4.830) 13.173 12.812 ( -14.784 -0.515 -1.914) 14.916 13.232 ( -0.606 -10.596 -4.541) 11.544 14.082 ( 0.519 -1.830 2.054) 2.800 14.497 ( -5.807 0.895 -6.488) 8.753 14.788 ( 3.528 -3.182 -8.078) 9.371 15.182 ( 2.057 2.445 3.999) 5.118 15.719 ( 0.438 -2.550 0.555) 2.647 15.988 ( -1.067 -2.194 0.686) 2.534 16.129 ( 1.102 -4.310 3.288) 5.532 16.321 ( 1.862 1.880 0.254) 2.658 16.533 ( 0.401 2.864 -0.044) 2.893 16.785 ( 0.031 -6.245 -0.354) 6.256 17.256 ( 1.250 10.200 0.231) 10.279 17.754 ( -2.888 5.267 -1.974) 6.323 17.838 ( -2.458 12.153 0.949) 12.436 18.099 ( 2.852 -4.092 6.552) 8.235 18.523 ( -1.087 -0.344 -4.386) 4.532 18.942 ( -2.116 4.378 6.216) 7.892 19.456 ( -6.485 -0.055 -0.154) 6.487 19.523 ( 4.132 -11.443 -4.249) 12.887 ======================= Grid point 44 (36/148) ======================= q-point: ( 0.21 -0.04 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -12.375 -11.417 -5.064) 17.582 2.917 ( -19.971 -18.312 8.705) 28.459 3.588 ( -0.725 -11.094 -2.011) 11.298 3.997 ( -4.342 9.104 -7.269) 12.433 4.584 ( -1.860 18.768 5.306) 19.593 5.698 ( 10.563 -21.199 -7.227) 24.763 6.329 ( -3.684 -14.818 -17.265) 23.049 6.601 ( 2.535 0.444 -0.462) 2.615 6.816 ( -2.864 -11.706 -0.159) 12.052 7.207 ( -5.755 1.975 0.760) 6.132 7.757 ( 8.725 -8.003 3.614) 12.378 8.377 ( -1.887 1.783 20.950) 21.110 8.744 ( -14.018 23.150 -1.611) 27.111 9.500 ( 29.063 -5.998 -1.320) 29.705 9.974 ( -12.247 -1.024 -1.491) 12.379 10.256 ( 10.776 5.788 -1.703) 12.350 10.315 ( -10.722 14.364 -2.206) 18.059 10.767 ( -0.164 -5.053 -2.318) 5.562 11.457 ( -11.170 -6.015 -3.210) 13.087 11.738 ( -5.413 -5.185 7.059) 10.296 12.105 ( -20.141 2.122 -0.674) 20.263 12.754 ( 9.490 10.084 -6.550) 15.318 12.768 ( 22.181 2.350 1.379) 22.347 13.114 ( 0.254 10.393 7.039) 12.555 14.135 ( -0.441 4.749 -2.986) 5.627 14.361 ( 8.876 -2.984 6.059) 11.154 14.632 ( -6.021 0.552 7.021) 9.265 15.239 ( -3.274 -2.259 -1.721) 4.335 15.731 ( -0.771 0.943 -0.571) 1.345 16.000 ( 2.001 4.489 -0.495) 4.940 16.196 ( -0.288 0.868 -2.890) 3.031 16.332 ( -4.986 -0.207 -0.838) 5.060 16.532 ( -0.194 -2.006 0.049) 2.016 16.777 ( -0.217 6.662 0.400) 6.678 17.258 ( -2.331 -10.293 -0.005) 10.554 17.726 ( 5.093 -3.054 0.897) 6.006 17.851 ( 2.088 -12.988 -0.465) 13.163 18.241 ( -1.957 2.086 -6.235) 6.859 18.466 ( 0.772 2.215 0.449) 2.388 19.045 ( 6.590 4.221 -3.273) 8.483 19.360 ( 5.414 2.185 6.803) 8.964 19.511 ( -3.805 0.029 -1.208) 3.992 ======================= Grid point 45 (37/148) ======================= q-point: ( 0.21 -0.04 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -23.130 -22.048 5.080) 32.357 2.045 ( -20.395 -10.652 4.031) 23.360 3.231 ( -21.146 -5.191 12.447) 25.080 4.089 ( -5.277 9.182 -6.396) 12.372 4.810 ( -3.418 9.307 5.489) 11.333 5.638 ( 15.073 -12.162 -14.936) 24.458 5.880 ( -0.252 -17.109 -24.040) 29.508 6.265 ( 5.708 -17.340 5.788) 19.151 6.965 ( -4.621 9.982 -3.984) 11.699 7.088 ( 3.098 -3.116 17.988) 18.517 7.625 ( -23.998 4.990 -1.225) 24.542 8.372 ( -11.842 6.680 -5.267) 14.581 8.811 ( -0.296 8.957 20.197) 22.096 9.826 ( -2.561 4.650 -7.355) 9.071 9.975 ( 7.727 2.959 -0.527) 8.291 10.222 ( -16.227 -0.543 -7.788) 18.007 10.439 ( -4.415 -1.129 -3.428) 5.702 10.774 ( -10.397 -0.166 11.095) 15.206 11.126 ( 17.297 -8.550 -2.865) 19.506 11.457 ( -4.731 -4.198 3.161) 7.071 11.913 ( -1.365 4.503 3.977) 6.161 13.014 ( 2.516 6.821 -8.654) 11.302 13.337 ( 3.193 6.813 5.814) 9.509 13.388 ( 25.938 0.316 -1.174) 25.967 14.308 ( 0.604 10.465 -6.184) 12.170 14.400 ( 0.583 -1.534 4.919) 5.186 14.633 ( -0.863 6.796 9.770) 11.932 15.096 ( -1.482 -5.725 -2.694) 6.498 15.720 ( -7.021 5.050 0.753) 8.681 16.058 ( -5.287 5.159 -1.729) 7.587 16.142 ( -5.445 0.180 0.181) 5.451 16.187 ( -3.476 -3.036 1.790) 4.950 16.480 ( 4.893 -9.036 0.058) 10.276 16.893 ( -1.243 3.432 -0.319) 3.664 17.083 ( 1.610 -6.795 1.047) 7.061 17.694 ( 6.473 -6.987 -2.069) 9.746 17.772 ( 5.310 -4.534 -0.404) 6.995 18.305 ( 0.052 5.815 -3.904) 7.004 18.578 ( 1.804 4.109 -4.187) 6.138 18.976 ( 0.302 -9.070 -8.694) 12.567 19.389 ( -6.867 -0.185 -1.050) 6.949 19.773 ( 14.021 6.938 11.905) 19.658 ======================= Grid point 46 (38/148) ======================= q-point: ( 0.71 -0.04 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -1.964 16.654 7.295) 18.287 3.422 ( -3.041 -8.082 1.710) 8.803 3.522 ( -2.303 -5.398 3.045) 6.612 4.009 ( 1.441 0.773 3.243) 3.632 4.277 ( 0.306 9.944 -0.550) 9.964 5.749 ( 2.370 -17.852 4.465) 18.554 6.058 ( 0.561 5.618 8.584) 10.274 6.480 ( -19.626 -0.689 0.423) 19.643 7.220 ( 3.565 15.754 -5.762) 17.150 7.371 ( -4.271 22.047 -1.482) 22.506 7.788 ( -6.655 5.344 -0.424) 8.546 8.252 ( -5.584 -22.327 2.083) 23.108 8.704 ( -9.661 9.325 -6.333) 14.845 9.349 ( -1.349 -1.039 -7.719) 7.904 9.816 ( -6.726 -2.662 9.512) 11.950 10.119 ( 1.172 -8.255 -2.657) 8.751 10.456 ( 12.800 -2.568 1.329) 13.123 10.785 ( 15.935 -6.148 2.707) 17.294 11.643 ( -14.792 9.493 9.096) 19.790 11.813 ( -0.031 -4.073 -3.850) 5.605 12.103 ( -2.247 7.445 1.806) 7.984 12.216 ( -3.035 -14.603 1.405) 14.981 12.773 ( 2.741 -9.522 -9.427) 13.677 13.278 ( 18.939 1.728 -4.710) 19.592 14.084 ( -6.495 3.069 0.095) 7.184 14.325 ( -7.234 0.863 -7.312) 10.322 14.801 ( 1.603 -4.322 0.255) 4.617 15.183 ( 1.640 -3.981 3.665) 5.654 15.680 ( -4.392 3.260 1.907) 5.793 15.872 ( -4.401 -2.767 -1.581) 5.434 16.018 ( -5.415 -2.885 3.414) 7.022 16.315 ( -3.523 -1.825 1.618) 4.285 16.668 ( 8.541 1.449 -2.031) 8.898 16.771 ( 7.903 -1.713 -0.501) 8.102 17.511 ( 1.235 9.651 1.477) 9.841 17.717 ( -3.899 -0.498 -3.750) 5.433 18.011 ( -1.331 7.380 2.244) 7.828 18.192 ( 3.751 2.570 4.816) 6.624 18.565 ( 2.264 3.050 -4.535) 5.916 18.788 ( -1.237 -7.286 -3.353) 8.116 19.394 ( 1.285 5.374 2.574) 6.095 19.560 ( 5.810 -4.525 -0.252) 7.369 ======================= Grid point 47 (39/148) ======================= q-point: (-0.29 -0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -8.619 -23.035 -2.547) 24.726 3.121 ( -9.022 0.351 4.429) 10.057 3.303 ( -9.459 -8.706 4.672) 13.678 3.622 ( -5.273 10.774 1.480) 12.086 5.085 ( 5.718 15.995 1.520) 17.054 5.182 ( 5.140 -19.500 0.234) 20.168 5.761 ( -38.536 4.134 3.438) 38.909 6.327 ( 3.940 2.325 5.260) 6.971 7.360 ( -5.955 8.456 -7.619) 12.846 7.653 ( -6.447 -13.065 -4.130) 15.143 7.701 ( -2.272 0.872 -5.164) 5.708 7.837 ( 5.968 2.388 1.086) 6.519 9.074 ( -1.319 26.277 2.260) 26.407 9.138 ( 7.768 -29.316 0.607) 30.334 9.572 ( -8.622 2.233 9.062) 12.706 10.058 ( -1.589 2.108 -5.663) 6.248 10.373 ( -13.263 -3.915 4.299) 14.481 10.910 ( -3.330 -0.109 -1.060) 3.497 11.355 ( 0.709 -10.423 -6.029) 12.062 11.788 ( -2.567 0.731 7.151) 7.632 12.103 ( -5.099 3.119 3.051) 6.711 12.321 ( 19.818 -0.524 -3.368) 20.109 12.816 ( 10.589 4.821 -6.245) 13.205 13.716 ( 11.357 4.698 -5.020) 13.276 13.867 ( -13.246 1.121 -0.743) 13.314 14.317 ( -1.220 3.380 -3.149) 4.778 14.637 ( -2.107 -8.832 5.440) 10.585 15.135 ( -2.228 -1.801 -2.896) 4.073 15.648 ( -6.007 -2.524 0.051) 6.516 15.721 ( -4.416 1.392 2.082) 5.077 15.815 ( -7.903 1.719 -0.193) 8.091 16.184 ( -3.344 -1.248 2.880) 4.587 16.922 ( 11.244 1.653 -2.508) 11.638 16.979 ( 11.897 -0.430 -1.300) 11.975 17.566 ( -3.224 -2.923 -0.919) 4.448 17.697 ( -2.343 5.996 0.980) 6.512 18.057 ( -1.041 -0.205 3.370) 3.533 18.221 ( 0.187 -1.708 1.078) 2.028 18.646 ( 3.458 0.295 -6.019) 6.948 18.885 ( 5.429 4.421 2.455) 7.419 19.538 ( 3.560 -5.816 0.184) 6.821 19.639 ( 8.102 7.384 2.670) 11.283 ======================= Grid point 48 (40/148) ======================= q-point: ( 0.21 -0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -22.390 0.000 14.293) 26.563 1.416 ( -25.227 0.000 11.807) 27.853 2.494 ( -39.876 0.000 21.350) 45.231 4.098 ( -3.506 0.000 -2.472) 4.290 4.826 ( -3.801 -0.000 4.938) 6.231 5.734 ( 4.046 0.000 -21.626) 22.001 5.779 ( 9.187 0.000 -16.999) 19.322 6.440 ( 24.842 -0.000 9.489) 26.592 6.898 ( -5.672 0.000 2.714) 6.288 6.965 ( -32.393 0.000 -9.572) 33.778 7.332 ( 12.732 -0.000 4.386) 13.467 8.170 ( -14.743 0.000 0.506) 14.752 9.000 ( 1.737 -0.000 21.811) 21.880 9.586 ( -32.409 0.000 -6.005) 32.961 9.780 ( -3.170 0.000 -12.736) 13.125 10.022 ( -35.675 0.000 10.609) 37.219 10.147 ( 2.298 -0.000 3.196) 3.937 10.510 ( 2.033 0.000 -8.374) 8.617 11.332 ( 0.163 0.000 -1.108) 1.120 11.904 ( 40.827 -0.000 3.691) 40.994 12.059 ( 7.446 -0.000 6.303) 9.755 13.105 ( -0.848 0.000 -9.026) 9.065 13.462 ( 2.442 -0.000 3.656) 4.396 13.887 ( 20.063 -0.000 -1.670) 20.132 14.320 ( -6.866 0.000 0.055) 6.866 14.469 ( 3.130 0.000 -2.869) 4.246 14.842 ( 1.402 -0.000 2.789) 3.121 14.927 ( -4.883 0.000 -8.477) 9.783 15.569 ( -11.693 0.000 -0.310) 11.697 16.003 ( -6.934 0.000 2.518) 7.377 16.108 ( -1.206 0.000 0.108) 1.210 16.150 ( 3.050 -0.000 14.048) 14.375 16.338 ( 2.406 -0.000 -0.370) 2.435 16.870 ( -2.924 0.000 0.012) 2.924 17.045 ( 3.239 -0.000 1.242) 3.469 17.740 ( 1.805 0.000 -5.468) 5.758 17.882 ( 10.299 -0.000 0.636) 10.319 18.459 ( 3.392 -0.000 0.498) 3.429 18.558 ( -6.687 0.000 -18.472) 19.645 18.868 ( 0.689 0.000 -4.564) 4.615 19.235 ( -6.296 0.000 -1.555) 6.485 20.135 ( 15.015 -0.000 17.554) 23.100 ======================= Grid point 49 (41/148) ======================= q-point: ( 0.21 -0.04 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -20.185 18.379 10.387) 29.208 1.188 ( -26.931 13.682 17.265) 34.793 2.007 ( -21.555 39.329 30.694) 54.346 3.982 ( -0.533 -5.705 0.192) 5.733 4.671 ( -2.206 -8.436 3.097) 9.254 5.645 ( -14.677 -4.537 -9.881) 18.266 6.220 ( 5.782 22.650 -17.492) 29.197 6.564 ( 5.369 0.977 -7.620) 9.373 6.705 ( -2.049 -8.133 0.185) 8.389 7.090 ( 23.210 5.374 5.006) 24.344 7.543 ( -3.165 -1.669 -2.685) 4.474 7.794 ( -8.528 -3.288 2.876) 9.582 8.680 ( -7.489 -13.495 16.662) 22.712 9.056 ( -23.947 5.466 -1.514) 24.610 9.454 ( -25.360 9.520 8.156) 28.289 9.779 ( -2.554 -0.065 -3.784) 4.565 10.119 ( 1.155 1.799 7.119) 7.433 10.436 ( -3.993 -4.496 -3.692) 7.056 11.382 ( 1.097 3.444 -3.485) 5.021 12.100 ( 4.271 -11.003 4.736) 12.717 12.690 ( 29.563 -1.149 1.480) 29.622 12.964 ( -4.552 -7.239 -4.534) 9.679 13.476 ( 7.080 -5.816 1.784) 9.335 14.035 ( -11.169 -10.921 -3.705) 16.055 14.159 ( 5.145 -5.999 -0.463) 7.917 14.311 ( -9.019 -9.900 7.371) 15.287 14.529 ( -1.200 -1.833 -0.330) 2.215 14.926 ( -3.045 -1.543 -0.894) 3.529 15.322 ( -8.102 -1.267 -0.136) 8.202 15.832 ( -3.102 -4.331 3.855) 6.576 15.988 ( -0.570 -0.128 7.078) 7.102 16.099 ( -1.742 0.038 0.674) 1.868 16.873 ( 0.968 4.654 -0.497) 4.780 17.042 ( 21.810 16.054 -0.403) 27.085 17.189 ( 1.816 7.114 1.964) 7.600 17.818 ( 0.633 5.308 -6.994) 8.803 18.040 ( -10.162 -6.755 -6.228) 13.700 18.113 ( 0.987 -1.179 -3.218) 3.567 18.656 ( 1.348 -1.027 0.288) 1.718 18.957 ( -0.863 9.251 -9.503) 13.290 19.165 ( -2.732 3.312 -1.364) 4.505 20.451 ( 17.397 -6.877 10.041) 21.232 ======================= Grid point 50 (42/148) ======================= q-point: (-0.29 -0.04 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -12.635 -29.715 -8.784) 33.463 2.293 ( -16.554 -23.485 -14.616) 32.237 3.492 ( 0.414 13.601 10.047) 16.915 3.935 ( -2.276 21.877 2.574) 22.145 4.309 ( -1.629 -42.326 -9.423) 43.393 5.154 ( -25.929 7.049 7.265) 27.835 5.922 ( 3.961 28.999 -2.578) 29.382 6.440 ( 10.724 -4.807 4.966) 12.759 7.244 ( -11.869 -6.761 -7.038) 15.366 7.354 ( -0.764 0.676 -2.598) 2.791 7.651 ( 1.081 -1.333 -1.099) 2.038 8.056 ( 11.893 -16.686 2.754) 20.675 8.594 ( 3.135 -19.056 5.105) 19.975 9.099 ( -17.015 1.870 -0.061) 17.118 9.751 ( -8.074 1.866 0.303) 8.292 9.924 ( -5.568 8.085 1.329) 9.906 10.068 ( -2.258 -3.347 -4.799) 6.272 10.987 ( 0.215 -20.466 -8.947) 22.338 11.136 ( -0.162 24.536 -7.159) 25.560 11.685 ( -2.933 -6.903 6.865) 10.167 12.280 ( 1.852 15.965 5.886) 17.116 12.723 ( 8.197 6.975 -3.370) 11.278 13.281 ( 22.712 1.460 -1.754) 22.826 13.674 ( -8.390 4.334 2.056) 9.664 13.911 ( 1.249 3.644 -2.215) 4.444 14.316 ( -6.938 -0.961 -2.956) 7.603 14.450 ( -4.010 1.764 0.647) 4.428 15.007 ( -2.477 -3.623 -3.497) 5.612 15.381 ( -5.192 -5.677 -0.316) 7.700 15.738 ( -1.643 3.589 -2.065) 4.455 15.842 ( -3.050 9.983 0.921) 10.479 16.127 ( -1.626 -0.182 2.106) 2.667 17.132 ( 8.564 -3.687 -1.143) 9.394 17.231 ( 13.219 -1.145 0.611) 13.282 17.411 ( -3.541 -3.319 -1.579) 5.104 17.713 ( -7.296 4.558 2.309) 8.907 17.973 ( -0.108 -6.496 4.446) 7.872 18.212 ( 1.552 -1.374 0.966) 2.287 18.700 ( 2.442 -1.505 -4.344) 5.206 18.985 ( 0.606 -0.774 5.592) 5.678 19.431 ( 1.350 -9.120 0.119) 9.220 20.036 ( 8.207 11.735 4.127) 14.903 ======================= Grid point 51 (43/148) ======================= q-point: (-0.44 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 0.000 -22.260 -17.666) 28.418 2.494 ( 0.000 -17.333 -23.588) 29.272 3.325 ( -0.000 22.193 5.287) 22.814 3.787 ( -0.000 28.839 7.540) 29.808 4.494 ( 0.000 -38.664 -8.239) 39.532 4.736 ( -0.000 1.820 5.911) 6.185 5.989 ( -0.000 22.593 0.353) 22.595 6.573 ( 0.000 -1.499 0.983) 1.793 7.116 ( 0.000 -4.105 5.211) 6.634 7.402 ( -0.000 6.560 -6.254) 9.063 7.660 ( 0.000 -2.608 0.307) 2.626 8.350 ( 0.000 -40.952 -8.601) 41.846 8.422 ( 0.000 -2.841 2.912) 4.068 8.792 ( -0.000 2.238 10.930) 11.157 9.649 ( 0.000 -0.832 -5.107) 5.175 10.020 ( -0.000 20.356 -7.893) 21.833 10.096 ( 0.000 -6.403 -0.092) 6.404 11.222 ( 0.000 -17.543 -11.912) 21.205 11.228 ( -0.000 27.410 2.200) 27.498 11.536 ( 0.000 -7.233 -1.916) 7.483 12.175 ( -0.000 19.487 6.622) 20.582 12.798 ( -0.000 4.998 2.182) 5.454 13.485 ( -0.000 0.971 2.143) 2.353 13.604 ( 0.000 -9.341 11.719) 14.986 14.063 ( -0.000 2.338 -0.984) 2.537 14.174 ( -0.000 12.352 -13.053) 17.971 14.404 ( -0.000 -1.030 1.571) 1.879 15.025 ( 0.000 -2.974 -0.822) 3.085 15.330 ( 0.000 -6.301 -0.452) 6.318 15.780 ( -0.000 3.449 -1.322) 3.694 15.787 ( -0.000 11.587 1.038) 11.633 16.096 ( -0.000 3.067 -1.994) 3.658 17.264 ( 0.000 -10.881 0.327) 10.886 17.268 ( -0.000 -2.302 5.636) 6.088 17.472 ( -0.000 0.848 -0.753) 1.134 17.549 ( -0.000 2.509 0.447) 2.549 17.940 ( 0.000 -4.965 -1.078) 5.081 18.204 ( -0.000 -0.465 0.810) 0.934 18.747 ( 0.000 -3.720 2.822) 4.670 18.912 ( 0.000 -3.712 1.410) 3.971 19.479 ( 0.000 -12.023 -3.155) 12.430 20.010 ( -0.000 11.582 6.780) 13.421 ======================= Grid point 52 (44/148) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( -0.000 20.019 0.000) 20.019 0.659 ( -0.000 32.516 0.000) 32.516 1.381 ( -0.000 66.855 0.000) 66.855 3.978 ( 0.000 -3.117 -0.000) 3.117 4.622 ( 0.000 -7.254 -0.000) 7.254 5.543 ( 0.000 -8.231 -0.000) 8.231 6.535 ( -0.000 17.234 0.000) 17.234 6.613 ( 0.000 -9.601 -0.000) 9.601 6.764 ( 0.000 -1.015 -0.000) 1.015 7.351 ( -0.000 10.637 0.000) 10.637 7.402 ( -0.000 3.704 0.000) 3.704 7.764 ( 0.000 -12.796 -0.000) 12.796 8.315 ( 0.000 -0.935 -0.000) 0.935 8.864 ( -0.000 5.364 0.000) 5.364 8.929 ( -0.000 17.373 0.000) 17.373 9.685 ( 0.000 -0.666 -0.000) 0.666 10.100 ( -0.000 9.414 0.000) 9.414 10.405 ( 0.000 -8.193 -0.000) 8.193 11.448 ( -0.000 2.803 0.000) 2.803 12.133 ( 0.000 -13.887 -0.000) 13.887 12.900 ( 0.000 -6.551 -0.000) 6.551 12.999 ( 0.000 -0.385 -0.000) 0.385 13.564 ( 0.000 -0.826 -0.000) 0.826 13.816 ( 0.000 -3.266 -0.000) 3.266 13.897 ( 0.000 -1.561 -0.000) 1.561 14.285 ( 0.000 -8.982 -0.000) 8.982 14.561 ( -0.000 0.732 0.000) 0.732 14.895 ( 0.000 -6.683 -0.000) 6.683 15.235 ( -0.000 0.018 0.000) 0.018 15.726 ( 0.000 -0.255 -0.000) 0.255 15.892 ( -0.000 8.537 0.000) 8.537 16.077 ( 0.000 -0.941 -0.000) 0.941 16.889 ( -0.000 5.863 0.000) 5.863 17.183 ( -0.000 6.480 0.000) 6.480 17.607 ( 0.000 -7.289 -0.000) 7.289 17.690 ( 0.000 -2.930 -0.000) 2.930 18.021 ( -0.000 10.657 0.000) 10.657 18.158 ( -0.000 1.571 0.000) 1.571 18.649 ( 0.000 -10.470 -0.000) 10.470 19.116 ( -0.000 0.511 0.000) 0.511 19.121 ( -0.000 10.318 0.000) 10.318 20.554 ( 0.000 -4.330 -0.000) 4.330 ======================= Grid point 53 (45/148) ======================= q-point: ( 0.06 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 34.363 22.381 -0.000) 41.009 1.473 ( 13.270 29.464 -0.000) 32.315 2.808 ( 10.276 59.599 -0.000) 60.479 3.879 ( -1.848 -5.186 0.000) 5.505 4.400 ( 0.829 -15.791 -0.000) 15.813 5.581 ( 23.262 -10.980 -0.000) 25.723 6.330 ( 1.095 -20.106 -0.000) 20.136 6.633 ( -2.234 -1.723 0.000) 2.822 6.968 ( 1.301 20.338 0.000) 20.380 7.159 ( -16.056 7.515 0.000) 17.728 7.612 ( -10.785 0.782 0.000) 10.813 7.862 ( 8.508 19.191 -0.000) 20.992 8.176 ( 1.156 -10.243 -0.000) 10.308 9.247 ( 21.779 3.661 -0.000) 22.085 9.612 ( 20.098 11.062 -0.000) 22.941 9.740 ( 5.042 1.151 -0.000) 5.171 10.150 ( -2.595 2.269 0.000) 3.447 10.449 ( 4.863 7.752 -0.000) 9.151 11.400 ( -0.779 -11.953 -0.000) 11.978 11.805 ( -3.039 -6.448 0.000) 7.129 12.674 ( -24.845 -1.335 0.000) 24.880 12.783 ( 6.095 -14.341 -0.000) 15.582 13.306 ( -11.947 -6.508 0.000) 13.605 13.844 ( 9.773 -8.186 -0.000) 12.748 14.004 ( -4.409 -10.625 0.000) 11.504 14.182 ( 14.800 4.892 -0.000) 15.588 14.518 ( -4.157 -1.130 0.000) 4.308 14.823 ( 2.946 -3.231 -0.000) 4.372 15.312 ( 5.896 0.938 -0.000) 5.970 15.758 ( 5.005 -1.954 -0.000) 5.373 16.007 ( 0.336 -1.980 -0.000) 2.008 16.105 ( 3.254 3.445 -0.000) 4.739 17.005 ( -4.344 7.116 0.000) 8.337 17.188 ( -17.622 2.474 0.000) 17.795 17.302 ( 0.121 4.873 0.000) 4.875 17.825 ( 7.390 -4.600 -0.000) 8.705 18.166 ( -4.168 4.893 0.000) 6.428 18.233 ( 1.887 4.671 -0.000) 5.038 18.474 ( -0.432 -6.108 -0.000) 6.123 19.142 ( 1.484 -0.879 -0.000) 1.725 19.305 ( -0.240 7.968 0.000) 7.972 20.272 ( -13.367 -4.868 0.000) 14.226 ======================= Grid point 54 (46/148) ======================= q-point: (-0.44 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 7.147 -11.973 -23.301) 27.155 2.365 ( 16.016 -12.385 -26.688) 33.499 3.644 ( -0.510 -11.755 -9.536) 15.145 3.861 ( -1.732 2.680 -8.057) 8.666 4.442 ( 7.453 23.474 1.762) 24.692 5.035 ( 23.489 1.026 12.070) 26.428 5.911 ( -4.949 -18.878 12.671) 23.268 6.633 ( -6.318 15.268 -7.819) 18.280 6.961 ( -6.056 -22.454 -1.745) 23.321 7.261 ( -8.276 -7.649 1.347) 11.350 7.572 ( -13.599 -11.311 -1.570) 17.758 7.889 ( 18.648 6.854 -8.786) 21.724 8.539 ( 12.683 8.158 1.960) 15.207 9.041 ( 11.309 1.697 10.014) 15.200 9.742 ( 5.207 -4.202 0.549) 6.714 9.971 ( 9.212 -2.433 -3.141) 10.032 10.278 ( -0.391 3.971 -9.348) 10.164 10.832 ( -3.934 -13.760 -11.017) 18.061 11.470 ( 7.071 -7.653 -5.474) 11.769 11.810 ( -6.682 29.521 0.329) 30.270 12.475 ( -7.559 12.577 4.044) 15.221 12.828 ( -6.850 3.051 1.822) 7.717 13.292 ( -11.252 4.855 5.410) 13.396 13.689 ( 9.698 4.727 5.088) 11.929 13.961 ( -8.878 3.826 3.110) 10.155 14.329 ( -3.201 -1.126 1.630) 3.764 14.626 ( 15.928 1.170 -6.786) 17.353 14.968 ( -0.665 -1.096 -0.997) 1.624 15.315 ( 6.741 -1.916 -0.001) 7.008 15.880 ( 0.286 6.202 -3.035) 6.911 16.007 ( 1.427 6.885 0.018) 7.031 16.187 ( 1.476 3.568 -4.365) 5.828 16.991 ( -3.920 -8.573 0.363) 9.433 17.092 ( -8.501 -6.081 6.617) 12.371 17.399 ( -2.429 -3.099 -2.103) 4.464 17.630 ( 2.674 -4.040 4.486) 6.603 17.890 ( 2.071 1.046 -1.730) 2.894 18.161 ( -1.370 -2.853 -1.135) 3.363 18.661 ( -0.349 -3.482 6.797) 7.645 18.807 ( -0.457 -5.175 1.017) 5.294 19.231 ( -0.169 -10.066 -0.514) 10.081 20.173 ( -6.900 11.467 7.492) 15.337 ======================= Grid point 55 (47/148) ======================= q-point: (-0.44 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 9.121 -4.046 -21.259) 23.485 2.360 ( 8.440 -18.115 -21.311) 29.216 3.485 ( 12.562 -1.235 -15.914) 20.312 4.063 ( -4.316 10.843 -7.236) 13.732 4.952 ( 4.969 12.378 -5.234) 14.328 5.247 ( -4.920 -14.996 13.892) 21.025 5.550 ( 3.541 -17.057 5.218) 18.185 6.477 ( 16.249 -6.027 -0.621) 17.342 6.738 ( -11.012 -1.858 -2.312) 11.405 6.912 ( -3.596 -0.273 -1.741) 4.005 7.320 ( 3.143 -2.087 5.943) 7.040 8.454 ( 13.765 7.629 -13.908) 21.003 9.175 ( 16.099 15.488 7.128) 23.449 9.255 ( 11.851 -0.234 7.037) 13.785 9.666 ( 1.692 -4.476 15.035) 15.778 10.175 ( -6.184 -5.305 -9.871) 12.799 10.312 ( 5.503 3.082 -8.927) 10.930 10.656 ( 19.656 -9.949 -9.000) 23.798 11.486 ( 4.912 -3.936 -6.290) 8.898 11.873 ( -30.817 8.058 0.774) 31.863 12.295 ( -13.191 5.890 -4.705) 15.193 12.821 ( -3.865 6.037 2.565) 7.613 13.366 ( 0.705 7.070 5.512) 8.993 13.703 ( -18.213 -0.129 6.251) 19.257 14.066 ( 10.577 7.457 6.114) 14.313 14.314 ( 1.674 0.757 2.901) 3.434 14.804 ( 8.884 -7.007 1.861) 11.467 14.985 ( -0.483 2.303 -3.484) 4.204 15.514 ( 11.073 1.404 1.139) 11.220 16.046 ( 1.110 8.228 -4.903) 9.642 16.113 ( 1.480 1.062 -0.642) 1.931 16.265 ( 0.097 2.314 -4.148) 4.751 16.693 ( -9.329 -9.202 0.697) 13.122 16.877 ( -0.315 -0.568 -0.381) 0.753 17.222 ( -3.836 -7.357 -2.014) 8.538 17.555 ( 0.771 -3.889 3.287) 5.150 17.891 ( -7.567 -1.728 2.717) 8.224 18.150 ( 2.226 5.703 -2.889) 6.770 18.588 ( 1.230 -6.427 10.177) 12.099 18.686 ( -1.204 -4.152 -4.431) 6.191 19.167 ( 6.341 -1.890 2.369) 7.028 20.192 ( -10.394 8.479 6.117) 14.742 ======================= Grid point 56 (48/148) ======================= q-point: ( 0.06 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 13.886 26.518 -0.000) 29.934 2.471 ( 22.221 28.954 -0.000) 36.498 3.684 ( -3.282 -7.218 0.000) 7.929 4.034 ( 1.468 -21.509 -0.000) 21.559 4.157 ( 7.545 51.687 -0.000) 52.234 5.834 ( 0.909 -30.274 -0.000) 30.287 6.073 ( 38.803 -6.171 -0.000) 39.291 6.655 ( 5.780 -3.405 -0.000) 6.709 7.202 ( -12.652 17.640 0.000) 21.708 7.288 ( 9.817 0.158 -0.000) 9.818 7.380 ( -10.802 9.149 0.000) 14.156 7.957 ( 1.922 -15.589 -0.000) 15.707 8.457 ( -3.246 34.037 0.000) 34.192 9.496 ( 5.643 -5.806 -0.000) 8.097 9.754 ( -1.786 -9.794 0.000) 9.956 10.194 ( 22.068 3.794 -0.000) 22.392 10.344 ( 6.777 4.189 -0.000) 7.967 10.791 ( -1.014 15.898 0.000) 15.930 11.069 ( 13.723 -19.028 -0.000) 23.461 11.843 ( -2.898 12.636 0.000) 12.964 12.059 ( -29.783 3.226 0.000) 29.957 12.568 ( 5.156 -17.882 -0.000) 18.610 12.868 ( -8.610 -14.540 0.000) 16.898 13.688 ( -10.068 -7.294 0.000) 12.432 13.920 ( 10.022 -4.149 -0.000) 10.846 14.314 ( -4.019 -4.138 0.000) 5.769 14.653 ( 6.246 14.148 -0.000) 15.465 14.856 ( 3.698 -1.672 -0.000) 4.058 15.523 ( 8.124 4.868 -0.000) 9.471 15.859 ( 9.964 -3.151 -0.000) 10.451 15.945 ( 3.989 -7.476 -0.000) 8.474 16.227 ( 1.944 2.433 -0.000) 3.115 16.899 ( -9.331 -2.344 0.000) 9.620 16.917 ( -14.052 3.038 0.000) 14.377 17.435 ( 1.339 6.994 -0.000) 7.121 17.837 ( 2.249 -4.396 -0.000) 4.938 18.188 ( -2.652 4.028 0.000) 4.823 18.291 ( -0.592 0.137 0.000) 0.608 18.392 ( -1.881 0.334 0.000) 1.911 19.068 ( -3.283 -6.907 0.000) 7.647 19.437 ( -0.330 5.659 0.000) 5.668 19.859 ( -13.574 -5.096 0.000) 14.499 ======================= Grid point 57 (49/148) ======================= q-point: ( 0.06 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 7.838 20.155 -0.000) 21.625 3.319 ( -1.129 10.721 0.000) 10.780 3.516 ( 4.152 9.858 -0.000) 10.697 3.629 ( 0.630 -19.105 -0.000) 19.115 5.153 ( 0.718 -37.550 -0.000) 37.557 5.193 ( -0.195 42.687 0.000) 42.688 6.574 ( 4.637 -14.564 -0.000) 15.284 6.863 ( 40.210 -2.940 -0.000) 40.317 7.110 ( -19.009 15.378 0.000) 24.451 7.466 ( 13.537 -8.762 -0.000) 16.125 7.517 ( 0.412 -16.058 -0.000) 16.063 7.825 ( -0.442 20.179 0.000) 20.183 9.019 ( 2.531 21.134 -0.000) 21.285 9.286 ( -8.300 -25.517 0.000) 26.833 9.582 ( 5.331 9.171 -0.000) 10.607 10.312 ( 10.910 -16.257 -0.000) 19.579 10.485 ( -10.034 2.216 0.000) 10.276 10.679 ( -22.003 10.764 0.000) 24.495 11.517 ( 23.839 6.326 -0.000) 24.664 11.863 ( -6.885 11.145 0.000) 13.101 12.134 ( 4.266 13.963 -0.000) 14.600 12.348 ( 8.839 -12.968 -0.000) 15.694 12.409 ( -5.071 -13.365 0.000) 14.295 13.218 ( -21.911 -4.938 0.000) 22.460 14.093 ( 8.542 1.291 -0.000) 8.639 14.174 ( 0.067 -4.971 -0.000) 4.972 14.855 ( 1.985 -5.623 -0.000) 5.963 15.028 ( -1.617 15.808 0.000) 15.891 15.771 ( 6.204 3.087 -0.000) 6.930 15.875 ( 2.945 -6.778 -0.000) 7.390 16.076 ( 11.390 1.031 -0.000) 11.437 16.299 ( 0.817 2.169 -0.000) 2.318 16.637 ( -6.715 -3.686 0.000) 7.660 16.713 ( -10.584 2.644 0.000) 10.909 17.615 ( 3.398 4.922 -0.000) 5.981 17.732 ( -0.969 -7.465 0.000) 7.527 18.236 ( 0.173 -4.767 -0.000) 4.770 18.278 ( 1.208 7.384 -0.000) 7.482 18.376 ( -0.102 1.351 0.000) 1.355 18.702 ( -11.576 -9.590 0.000) 15.032 19.518 ( -0.441 2.946 0.000) 2.978 19.587 ( -4.859 -3.336 0.000) 5.894 ======================= Grid point 58 (50/148) ======================= q-point: (-0.44 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 5.887 0.000 -12.726) 14.022 2.268 ( 4.867 0.000 -12.576) 13.485 3.845 ( 12.600 -0.000 -8.447) 15.170 4.092 ( -3.020 0.000 -4.339) 5.287 4.853 ( -6.050 -0.000 7.578) 9.697 5.126 ( -12.349 0.000 -6.057) 13.755 5.206 ( 2.745 -0.000 -1.221) 3.004 6.317 ( -11.943 0.000 -1.624) 12.053 6.905 ( 6.867 -0.000 -1.351) 6.999 7.121 ( 9.249 -0.000 5.507) 10.764 7.676 ( 37.587 -0.000 10.742) 39.092 8.632 ( -2.119 0.000 -18.156) 18.279 9.376 ( 5.904 -0.000 13.602) 14.828 9.544 ( -8.486 -0.000 14.768) 17.033 9.796 ( -9.448 0.000 -13.557) 16.524 10.038 ( 24.227 -0.000 2.322) 24.338 10.300 ( 1.312 -0.000 0.400) 1.372 11.170 ( -34.261 0.000 -0.241) 34.262 11.193 ( 27.054 -0.000 -11.317) 29.326 11.519 ( 1.276 0.000 -6.395) 6.521 12.122 ( -8.437 0.000 -3.088) 8.984 12.847 ( -0.241 -0.000 2.723) 2.733 13.217 ( -23.418 0.000 7.270) 24.520 13.498 ( 1.772 -0.000 2.532) 3.090 14.270 ( -1.667 0.000 0.973) 1.930 14.455 ( 11.532 -0.000 5.358) 12.716 14.837 ( 2.461 -0.000 2.721) 3.669 14.990 ( -0.669 0.000 -1.611) 1.744 15.757 ( 8.644 -0.000 1.083) 8.712 16.142 ( 1.453 -0.000 -0.148) 1.460 16.205 ( 2.334 0.000 -3.651) 4.334 16.276 ( -1.872 0.000 0.275) 1.892 16.386 ( -6.452 0.000 -4.828) 8.058 16.964 ( 4.494 -0.000 -0.600) 4.534 17.024 ( -4.332 0.000 -1.439) 4.565 17.514 ( -1.336 -0.000 1.952) 2.365 17.667 ( -7.609 0.000 0.990) 7.673 18.329 ( 1.784 -0.000 -0.121) 1.788 18.456 ( 0.176 -0.000 3.314) 3.319 18.638 ( -0.850 0.000 -0.488) 0.980 19.325 ( 7.913 -0.000 0.978) 7.973 20.078 ( -8.578 0.000 3.557) 9.286 ======================= Grid point 59 (51/148) ======================= q-point: (-0.44 -0.06 0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -0.000 4.570 0.000) 4.570 2.490 ( -0.000 24.011 0.000) 24.011 3.793 ( 0.000 -13.004 -0.000) 13.004 3.947 ( -0.000 -9.403 0.000) 9.403 5.091 ( -0.000 -12.381 0.000) 12.381 5.161 ( -0.000 14.255 -0.000) 14.255 5.202 ( -0.000 33.843 0.000) 33.843 6.335 ( -0.000 13.793 0.000) 13.793 6.871 ( -0.000 -8.308 0.000) 8.308 7.160 ( -0.000 -4.395 0.000) 4.395 8.351 ( -0.000 0.367 0.000) 0.367 8.459 ( -0.000 -8.479 0.000) 8.479 9.249 ( -0.000 6.207 0.000) 6.207 9.547 ( -0.000 -16.760 -0.000) 16.760 9.552 ( 0.000 5.522 0.000) 5.522 10.389 ( -0.000 -4.581 0.000) 4.581 10.452 ( -0.000 5.155 -0.000) 5.155 10.605 ( -0.000 -2.154 0.000) 2.154 11.351 ( 0.000 -2.539 0.000) 2.539 11.757 ( 0.000 11.412 0.000) 11.412 12.089 ( 0.000 -0.647 -0.000) 0.647 12.779 ( -0.000 -6.716 0.000) 6.716 12.860 ( -0.000 -1.896 0.000) 1.896 13.453 ( -0.000 -6.179 -0.000) 6.179 14.158 ( -0.000 -7.011 0.000) 7.011 14.580 ( -0.000 -0.976 0.000) 0.976 14.963 ( -0.000 9.120 -0.000) 9.120 14.966 ( 0.000 -1.998 0.000) 1.998 15.805 ( -0.000 -4.399 0.000) 4.399 16.072 ( -0.000 -7.692 0.000) 7.692 16.171 ( -0.000 -0.602 0.000) 0.602 16.286 ( -0.000 -0.230 0.000) 0.230 16.423 ( -0.000 7.487 0.000) 7.487 16.910 ( 0.000 -5.269 0.000) 5.269 17.087 ( -0.000 5.756 0.000) 5.756 17.587 ( -0.000 10.260 0.000) 10.260 17.647 ( -0.000 4.774 0.000) 4.774 18.182 ( -0.000 -9.120 0.000) 9.120 18.617 ( 0.000 -1.167 0.000) 1.167 18.650 ( -0.000 11.623 -0.000) 11.623 19.429 ( -0.000 0.475 0.000) 0.475 19.857 ( 0.000 -10.846 0.000) 10.846 ======================= Grid point 61 (52/148) ======================= q-point: ( 0.06 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( -14.099 -12.556 0.000) 18.879 3.078 ( -8.165 -16.354 0.000) 18.279 3.620 ( 0.343 12.316 0.000) 12.321 4.083 ( 0.387 23.824 0.000) 23.827 4.390 ( -1.487 -35.347 -0.000) 35.378 5.895 ( -1.843 25.707 0.000) 25.773 6.407 ( 13.183 -13.542 -0.000) 18.899 6.971 ( -13.556 -7.542 0.000) 15.513 7.101 ( -6.198 -4.623 0.000) 7.732 7.214 ( 11.539 -23.057 -0.000) 25.783 7.717 ( 14.757 12.156 -0.000) 19.119 8.244 ( -17.406 23.944 0.000) 29.602 8.462 ( -7.257 -28.961 0.000) 29.856 9.587 ( 23.412 6.057 -0.000) 24.183 9.946 ( -24.256 1.845 0.000) 24.326 9.994 ( 7.319 13.620 -0.000) 15.462 10.273 ( 8.616 -5.169 -0.000) 10.047 10.764 ( -4.461 8.681 0.000) 9.760 11.656 ( -4.750 -7.125 0.000) 8.564 11.746 ( -6.744 -5.418 0.000) 8.651 12.124 ( -17.638 -4.194 0.000) 18.130 12.589 ( 5.955 15.078 -0.000) 16.211 12.705 ( 32.275 1.761 -0.000) 32.323 12.806 ( -10.753 8.805 0.000) 13.899 14.112 ( 0.028 -0.965 -0.000) 0.965 14.294 ( 4.211 4.227 -0.000) 5.967 14.686 ( -1.171 -11.070 0.000) 11.132 15.176 ( -8.243 9.031 0.000) 12.227 15.783 ( -1.579 -4.054 0.000) 4.351 15.940 ( 5.230 2.247 -0.000) 5.692 16.239 ( 2.949 -0.759 -0.000) 3.045 16.307 ( -6.364 2.019 0.000) 6.677 16.546 ( 1.297 -0.408 -0.000) 1.360 16.646 ( -0.920 5.226 0.000) 5.307 17.489 ( -2.561 -11.590 0.000) 11.869 17.751 ( 4.789 0.052 -0.000) 4.789 18.099 ( 1.514 -10.141 -0.000) 10.253 18.308 ( -1.312 0.150 0.000) 1.320 18.415 ( -4.983 0.745 0.000) 5.038 18.730 ( 11.113 16.004 -0.000) 19.484 19.443 ( -0.947 -5.932 0.000) 6.008 19.540 ( 0.573 -0.434 -0.000) 0.719 ======================= Grid point 62 (53/148) ======================= q-point: ( 0.06 -0.06 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -21.837 -16.098 0.000) 27.129 2.416 ( -18.118 -20.721 0.000) 27.525 3.478 ( -10.936 -28.639 0.000) 30.656 3.933 ( -6.772 10.447 0.000) 12.450 4.473 ( -2.392 17.278 0.000) 17.443 6.095 ( 14.711 -9.492 -0.000) 17.508 6.425 ( -10.609 -14.306 0.000) 17.811 6.723 ( 6.590 13.518 -0.000) 15.039 6.810 ( -4.203 -19.377 0.000) 19.828 6.925 ( 6.002 -16.598 -0.000) 17.650 7.588 ( -31.888 0.718 0.000) 31.896 8.241 ( 9.614 12.545 -0.000) 15.805 8.343 ( -15.759 9.215 0.000) 18.256 9.756 ( -4.950 7.266 0.000) 8.792 9.932 ( -0.538 4.235 0.000) 4.269 10.313 ( 6.134 1.122 -0.000) 6.236 10.569 ( -20.017 -6.986 0.000) 21.201 10.574 ( 9.862 3.699 -0.000) 10.532 11.401 ( 8.590 -10.842 -0.000) 13.832 11.558 ( -7.277 -9.890 0.000) 12.279 11.686 ( -6.867 11.575 0.000) 13.458 12.969 ( -2.049 12.936 0.000) 13.097 13.008 ( 6.516 12.092 -0.000) 13.735 13.382 ( 26.296 1.921 -0.000) 26.366 14.159 ( -2.196 8.463 0.000) 8.744 14.414 ( -2.047 4.463 0.000) 4.910 14.452 ( 1.497 -8.858 -0.000) 8.983 15.114 ( -8.747 4.671 0.000) 9.916 15.648 ( -6.989 0.477 0.000) 7.005 16.045 ( 0.486 0.747 -0.000) 0.891 16.142 ( -11.117 1.444 0.000) 11.211 16.220 ( -1.175 -2.341 0.000) 2.619 16.602 ( 7.387 -3.674 -0.000) 8.250 16.816 ( 3.633 4.453 -0.000) 5.747 17.242 ( 1.141 -9.891 -0.000) 9.957 17.829 ( 4.467 -2.042 -0.000) 4.911 17.931 ( 5.070 -11.684 -0.000) 12.736 18.304 ( -0.193 1.081 0.000) 1.098 18.462 ( -0.374 7.468 0.000) 7.477 19.226 ( 0.922 12.273 0.000) 12.307 19.291 ( 0.329 -8.394 -0.000) 8.400 19.606 ( 11.804 -1.113 -0.000) 11.856 ======================= Grid point 63 (54/148) ======================= q-point: ( 0.56 -0.06 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -8.872 12.401 7.018) 16.785 3.015 ( -9.556 26.296 14.969) 31.731 3.599 ( 1.879 -0.362 0.922) 2.124 3.764 ( 2.360 -8.487 0.725) 8.839 4.690 ( -3.288 -21.648 1.085) 21.923 5.541 ( 0.934 19.409 -5.006) 20.066 5.961 ( 6.861 17.477 3.019) 19.017 6.602 ( -6.757 -2.733 -4.619) 8.630 6.812 ( 5.039 13.671 6.374) 15.904 7.037 ( -1.396 5.567 -3.075) 6.511 7.704 ( -30.073 2.548 -4.491) 30.513 8.436 ( -2.876 -9.339 10.710) 14.497 9.057 ( -9.523 -19.532 -3.391) 21.993 9.512 ( -0.709 0.100 -5.541) 5.587 9.621 ( 0.549 7.369 -5.782) 9.382 10.199 ( -0.212 -1.452 6.307) 6.475 10.462 ( -1.713 1.267 1.866) 2.832 10.942 ( 23.512 -8.200 -2.083) 24.988 11.312 ( -9.502 6.600 6.457) 13.250 11.794 ( -11.328 8.860 8.086) 16.499 11.962 ( 2.217 -5.974 0.686) 6.409 12.564 ( 1.432 -13.357 -3.586) 13.904 13.116 ( 10.561 -6.826 -6.916) 14.351 13.358 ( 11.937 -2.924 -1.899) 12.436 14.048 ( -1.681 -2.208 0.098) 2.777 14.451 ( -9.375 -0.428 -4.834) 10.556 14.894 ( 0.257 -5.946 3.864) 7.096 15.096 ( -3.120 5.850 0.914) 6.692 15.650 ( -5.701 -2.539 0.333) 6.250 15.940 ( -2.793 -2.976 0.076) 4.082 16.076 ( -1.450 -5.897 1.113) 6.174 16.291 ( -2.329 1.002 1.457) 2.925 16.635 ( 8.615 4.362 0.032) 9.656 16.821 ( 2.933 -3.041 0.085) 4.226 17.295 ( 3.336 8.816 1.051) 9.484 17.748 ( -2.854 9.174 -3.521) 10.233 17.851 ( 2.473 4.681 -2.368) 5.800 18.061 ( 2.569 -1.430 3.543) 4.604 18.602 ( 1.565 -0.784 -1.238) 2.144 18.848 ( -1.274 6.705 -2.103) 7.141 19.328 ( -5.936 0.417 -1.380) 6.108 19.747 ( 10.918 -11.438 -1.418) 15.876 ======================= Grid point 64 (55/148) ======================= q-point: ( 0.56 -0.06 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -9.234 20.957 10.531) 25.206 3.013 ( -17.753 13.332 15.853) 27.281 3.387 ( -2.571 -17.650 -2.497) 18.010 3.975 ( -3.466 -18.017 -0.537) 18.355 4.393 ( 3.971 26.621 0.367) 26.918 5.661 ( -25.927 2.399 -5.411) 26.594 5.849 ( 1.884 -24.961 2.234) 25.132 6.246 ( -0.279 0.583 -1.910) 2.016 7.302 ( -3.442 14.029 -2.625) 14.681 7.483 ( 9.479 12.292 -3.487) 15.909 7.612 ( -0.931 18.706 7.835) 20.302 8.028 ( -8.261 -10.939 2.438) 13.923 8.602 ( -7.025 4.452 -1.623) 8.474 9.379 ( -11.363 1.322 -0.947) 11.479 9.667 ( 3.568 -10.593 -4.291) 11.973 10.164 ( 1.282 -4.583 3.164) 5.715 10.319 ( -15.457 0.142 5.109) 16.280 11.115 ( 3.947 -17.385 -1.693) 17.908 11.174 ( -2.641 15.115 6.786) 16.778 11.801 ( -7.055 3.900 5.865) 9.968 12.049 ( 8.520 -5.522 -4.725) 11.199 12.454 ( 15.784 -7.307 -0.751) 17.409 12.979 ( 5.472 -8.850 -4.027) 11.157 13.742 ( 13.383 2.651 -4.289) 14.301 13.879 ( -12.497 -1.296 -1.448) 12.647 14.313 ( -2.708 2.032 -2.404) 4.152 14.705 ( -2.820 -9.463 7.883) 12.635 15.118 ( -4.083 4.576 0.357) 6.143 15.529 ( -6.966 4.562 0.836) 8.369 15.808 ( -3.354 -3.256 -0.254) 4.681 15.889 ( -3.533 -7.864 -0.242) 8.625 16.187 ( -4.445 -2.702 1.328) 5.369 16.928 ( 11.988 1.390 -1.023) 12.111 16.968 ( 9.824 3.195 -0.099) 10.331 17.484 ( -1.049 6.342 1.267) 6.552 17.738 ( -3.511 -2.254 -5.310) 6.753 17.956 ( -0.463 5.526 1.062) 5.647 18.184 ( 1.757 2.674 1.749) 3.646 18.681 ( 3.307 2.703 -0.065) 4.271 18.860 ( 1.064 -0.267 -4.512) 4.643 19.395 ( 2.432 8.148 1.189) 8.586 19.764 ( 9.542 -9.697 -3.102) 13.953 ======================= Grid point 65 (56/148) ======================= q-point: ( 0.06 -0.06 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -26.771 -14.493 0.000) 30.442 1.501 ( -20.338 -28.857 0.000) 35.304 2.427 ( -38.548 -19.317 0.000) 43.117 4.044 ( -4.276 7.847 0.000) 8.937 4.684 ( -2.742 8.571 0.000) 8.999 6.060 ( -7.454 -2.646 0.000) 7.910 6.296 ( 2.362 -23.481 -0.000) 23.600 6.367 ( 26.343 -5.133 -0.000) 26.838 6.737 ( 0.539 -2.569 -0.000) 2.625 7.064 ( -27.855 10.886 0.000) 29.906 7.185 ( 16.245 2.237 -0.000) 16.398 8.129 ( -17.663 3.996 0.000) 18.109 8.605 ( -0.939 12.754 0.000) 12.789 9.770 ( -32.246 -6.200 0.000) 32.836 9.862 ( -12.508 -0.640 0.000) 12.524 9.925 ( -0.189 10.690 0.000) 10.692 10.092 ( -19.114 -10.185 0.000) 21.658 10.549 ( -1.321 3.608 0.000) 3.842 11.378 ( 0.792 -2.866 -0.000) 2.973 11.894 ( 39.624 -3.459 -0.000) 39.774 11.934 ( 6.116 7.401 -0.000) 9.601 13.143 ( -2.881 8.830 0.000) 9.288 13.325 ( 5.279 6.503 -0.000) 8.376 13.883 ( 18.253 1.866 -0.000) 18.348 14.324 ( -4.630 -1.434 0.000) 4.847 14.393 ( -5.716 23.953 0.000) 24.625 14.483 ( 2.133 1.486 -0.000) 2.600 15.056 ( -5.468 4.868 0.000) 7.321 15.519 ( -10.117 3.694 0.000) 10.770 15.925 ( -9.044 -0.931 0.000) 9.092 15.978 ( -4.583 -2.171 0.000) 5.071 16.132 ( -1.828 -1.860 0.000) 2.608 16.656 ( 12.703 -14.924 -0.000) 19.598 16.874 ( -0.548 -0.996 0.000) 1.137 17.123 ( 2.821 -7.319 -0.000) 7.844 17.844 ( 2.450 -3.604 -0.000) 4.358 17.917 ( 9.705 -4.627 -0.000) 10.752 18.355 ( -1.417 6.484 0.000) 6.637 18.651 ( 0.052 10.682 0.000) 10.682 19.111 ( 0.492 -10.276 -0.000) 10.288 19.251 ( -5.803 1.216 0.000) 5.929 19.913 ( 14.811 -3.888 -0.000) 15.312 ======================= Grid point 66 (57/148) ======================= q-point: ( 0.06 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -25.651 0.000 0.000) 25.651 0.649 ( -30.743 0.000 0.000) 30.743 1.209 ( -55.000 0.000 0.000) 55.000 4.033 ( -3.237 0.000 0.000) 3.237 4.715 ( -1.937 0.000 0.000) 1.937 5.828 ( -15.498 0.000 0.000) 15.498 6.097 ( 4.755 -0.000 -0.000) 4.755 6.721 ( -0.787 0.000 0.000) 0.787 6.961 ( 29.935 -0.000 -0.000) 29.935 7.001 ( 6.841 -0.000 -0.000) 6.841 7.588 ( 20.919 -0.000 -0.000) 20.919 7.767 ( -20.358 0.000 0.000) 20.358 8.609 ( -14.820 0.000 0.000) 14.820 9.063 ( -23.023 0.000 0.000) 23.023 9.143 ( -32.514 0.000 0.000) 32.514 9.937 ( 3.908 -0.000 -0.000) 3.908 10.233 ( 4.954 -0.000 -0.000) 4.954 10.553 ( -3.753 0.000 0.000) 3.753 11.388 ( 2.117 -0.000 -0.000) 2.117 12.121 ( 4.625 -0.000 -0.000) 4.625 12.630 ( 30.511 -0.000 -0.000) 30.511 13.200 ( -1.752 0.000 0.000) 1.752 13.491 ( 4.591 -0.000 -0.000) 4.591 14.129 ( -12.428 0.000 0.000) 12.428 14.233 ( 12.095 -0.000 -0.000) 12.095 14.548 ( 1.535 -0.000 -0.000) 1.535 14.862 ( 1.567 -0.000 -0.000) 1.567 15.128 ( 3.058 -0.000 -0.000) 3.058 15.341 ( -9.141 0.000 0.000) 9.141 15.772 ( -4.327 0.000 0.000) 4.327 15.860 ( -6.597 0.000 0.000) 6.597 16.087 ( -0.607 0.000 0.000) 0.607 16.385 ( 1.499 -0.000 -0.000) 1.499 16.834 ( -0.691 0.000 0.000) 0.691 17.086 ( 1.814 -0.000 -0.000) 1.814 17.826 ( 0.724 -0.000 -0.000) 0.724 18.068 ( 6.863 -0.000 -0.000) 6.863 18.521 ( 2.252 -0.000 -0.000) 2.252 18.850 ( -0.279 0.000 0.000) 0.279 18.925 ( 0.360 -0.000 -0.000) 0.360 19.147 ( -3.432 0.000 0.000) 3.432 19.960 ( 3.600 -0.000 -0.000) 3.600 ======================= Grid point 67 (58/148) ======================= q-point: (-0.44 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -12.614 -0.000 -0.000) 12.614 2.888 ( -3.105 -0.000 -0.000) 3.105 2.980 ( -8.026 0.000 0.000) 8.026 3.447 ( -6.762 0.000 0.000) 6.762 5.001 ( -25.747 0.000 0.000) 25.747 5.175 ( 3.720 -0.000 0.000) 3.720 5.343 ( 4.640 0.000 0.000) 4.640 6.447 ( 10.755 0.000 0.000) 10.755 7.359 ( -3.631 -0.000 0.000) 3.631 7.403 ( -15.976 0.000 -0.000) 15.976 7.696 ( -1.919 0.000 0.000) 1.919 8.114 ( 18.873 0.000 -0.000) 18.873 9.062 ( -19.001 -0.000 0.000) 19.001 9.078 ( 4.358 0.000 -0.000) 4.358 9.405 ( 8.093 0.000 0.000) 8.093 9.899 ( -19.478 0.000 0.000) 19.478 10.155 ( 1.108 0.000 0.000) 1.108 10.925 ( 0.617 0.000 0.000) 0.617 11.477 ( 2.126 -0.000 0.000) 2.126 11.639 ( -2.213 -0.000 0.000) 2.213 11.946 ( -5.363 0.000 0.000) 5.363 12.670 ( 7.071 -0.000 0.000) 7.071 13.304 ( 28.335 0.000 0.000) 28.335 13.590 ( -10.277 0.000 0.000) 10.277 13.916 ( 1.222 -0.000 0.000) 1.222 14.364 ( 3.691 0.000 0.000) 3.691 14.418 ( -15.178 0.000 0.000) 15.178 15.089 ( -3.015 0.000 0.000) 3.015 15.515 ( -5.429 -0.000 0.000) 5.429 15.632 ( -2.507 0.000 0.000) 2.507 15.747 ( -0.789 0.000 0.000) 0.789 16.083 ( -2.072 -0.000 0.000) 2.072 17.179 ( 9.271 0.000 0.000) 9.271 17.235 ( 10.761 0.000 0.000) 10.761 17.515 ( -2.771 0.000 0.000) 2.771 17.600 ( -5.742 -0.000 0.000) 5.742 18.003 ( -0.484 0.000 0.000) 0.484 18.210 ( -0.368 0.000 0.000) 0.368 18.772 ( 1.737 0.000 0.000) 1.737 18.926 ( 2.519 0.000 0.000) 2.519 19.626 ( 3.588 0.000 0.000) 3.588 19.762 ( 5.800 -0.000 0.000) 5.800 ======================= Grid point 69 (59/148) ======================= q-point: ( 0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -0.000 25.266 3.933) 25.570 2.702 ( -0.000 28.745 4.253) 29.058 3.235 ( 0.000 -11.823 -20.389) 23.569 3.413 ( 0.000 -15.785 -4.122) 16.314 4.726 ( 0.000 -5.741 -0.858) 5.805 5.217 ( -0.000 23.744 0.276) 23.746 5.337 ( 0.000 -13.877 5.420) 14.898 6.648 ( 0.000 -3.524 -3.319) 4.841 6.979 ( -0.000 -3.164 14.007) 14.360 7.373 ( -0.000 3.647 -1.635) 3.997 7.657 ( -0.000 0.723 1.478) 1.646 8.555 ( -0.000 -2.123 13.371) 13.538 8.605 ( 0.000 -2.176 -13.691) 13.862 9.352 ( 0.000 -22.176 -16.308) 27.527 9.530 ( -0.000 30.164 -2.471) 30.265 9.694 ( -0.000 4.615 -3.349) 5.702 10.115 ( -0.000 0.380 4.746) 4.762 10.804 ( -0.000 -2.598 11.902) 12.183 11.432 ( -0.000 19.050 5.481) 19.823 11.747 ( 0.000 1.263 -11.207) 11.278 11.931 ( 0.000 -14.279 -4.213) 14.887 12.670 ( -0.000 -2.289 6.165) 6.576 13.481 ( 0.000 -2.091 -0.576) 2.169 13.587 ( 0.000 -14.519 14.683) 20.649 13.996 ( -0.000 0.963 3.746) 3.868 14.118 ( -0.000 16.121 -10.400) 19.184 14.441 ( 0.000 -1.346 -2.253) 2.624 15.038 ( -0.000 1.284 2.422) 2.741 15.460 ( -0.000 2.737 -0.760) 2.841 15.597 ( 0.000 -3.365 0.698) 3.437 15.700 ( -0.000 0.896 3.349) 3.467 16.131 ( 0.000 1.626 -5.588) 5.820 17.231 ( 0.000 -4.958 5.479) 7.389 17.432 ( 0.000 -0.412 -0.332) 0.529 17.461 ( -0.000 0.578 -0.482) 0.753 17.474 ( 0.000 -0.262 0.307) 0.403 18.043 ( 0.000 0.257 -4.505) 4.513 18.219 ( 0.000 -0.868 -1.247) 1.519 18.730 ( -0.000 -2.020 5.520) 5.878 18.992 ( 0.000 -1.728 -3.181) 3.620 19.637 ( -0.000 8.146 2.491) 8.518 19.876 ( 0.000 -11.491 -4.153) 12.218 ======================= Grid point 70 (60/148) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.000 0.000 -31.830) 31.830 0.636 ( 0.000 0.000 -32.333) 32.333 1.098 ( 0.000 0.000 -54.925) 54.925 4.027 ( 0.000 0.000 -3.154) 3.154 4.727 ( 0.000 0.000 -3.246) 3.246 5.523 ( -0.000 -0.000 11.053) 11.053 6.005 ( -0.000 -0.000 14.311) 14.311 6.770 ( -0.000 -0.000 5.567) 5.567 6.803 ( 0.000 0.000 -3.416) 3.416 7.150 ( -0.000 -0.000 4.382) 4.382 7.411 ( 0.000 0.000 -4.474) 4.474 7.886 ( -0.000 -0.000 4.714) 4.714 8.575 ( -0.000 -0.000 7.711) 7.711 8.922 ( 0.000 0.000 -20.471) 20.471 9.007 ( 0.000 0.000 -13.886) 13.886 9.676 ( -0.000 -0.000 1.882) 1.882 10.088 ( 0.000 0.000 -8.683) 8.683 10.455 ( -0.000 -0.000 4.413) 4.413 11.359 ( -0.000 -0.000 5.314) 5.314 12.249 ( 0.000 0.000 -7.566) 7.566 12.955 ( -0.000 -0.000 1.063) 1.063 13.097 ( -0.000 -0.000 3.122) 3.122 13.779 ( -0.000 -0.000 4.584) 4.584 14.006 ( 0.000 0.000 -6.462) 6.462 14.192 ( -0.000 -0.000 5.343) 5.343 14.413 ( 0.000 0.000 -2.364) 2.364 14.512 ( -0.000 -0.000 4.023) 4.023 14.875 ( 0.000 0.000 -0.231) 0.231 15.229 ( -0.000 -0.000 0.669) 0.669 15.822 ( 0.000 0.000 -3.794) 3.794 16.083 ( 0.000 0.000 -0.175) 0.175 16.396 ( -0.000 -0.000 0.585) 0.585 16.825 ( -0.000 -0.000 0.392) 0.392 16.938 ( -0.000 -0.000 2.191) 2.191 17.123 ( 0.000 0.000 -1.747) 1.747 17.713 ( -0.000 -0.000 0.997) 0.997 17.852 ( 0.000 0.000 -1.974) 1.974 18.159 ( -0.000 -0.000 0.684) 0.684 18.536 ( -0.000 -0.000 0.795) 0.795 18.885 ( -0.000 -0.000 4.300) 4.300 19.093 ( -0.000 -0.000 1.739) 1.739 20.974 ( -0.000 -0.000 5.776) 5.776 ======================= Grid point 72 (61/148) ======================= q-point: (-0.58 -0.08 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 5.931 -15.261 -17.470) 23.943 3.087 ( 7.782 -8.161 -23.184) 25.781 3.326 ( 2.627 27.647 -2.456) 27.880 3.743 ( 10.306 28.868 7.213) 31.490 4.534 ( -5.626 -32.504 -0.655) 32.994 4.914 ( 25.137 -3.854 3.596) 25.684 5.947 ( -3.051 15.908 -1.444) 16.262 6.432 ( -9.279 5.103 -1.328) 10.672 7.021 ( 8.087 -6.822 12.094) 16.068 7.445 ( -3.350 -6.922 4.351) 8.836 7.783 ( 9.887 9.813 -5.135) 14.846 8.174 ( -16.103 -0.826 -4.860) 16.841 8.438 ( 0.799 -27.587 0.985) 27.616 9.072 ( 19.759 -8.187 -7.602) 22.698 9.729 ( -8.025 0.330 4.213) 9.069 10.050 ( 9.902 3.068 -4.613) 11.347 10.283 ( 6.057 10.689 -4.208) 12.987 11.038 ( -2.303 19.942 6.275) 21.032 11.425 ( -3.246 -6.060 -9.458) 11.693 11.778 ( 6.918 -6.486 -9.479) 13.408 12.020 ( -1.830 18.353 6.302) 19.491 12.672 ( -4.563 5.466 5.745) 9.148 13.118 ( -18.237 -3.817 10.076) 21.183 13.570 ( 10.272 -0.091 2.267) 10.520 13.846 ( -9.239 1.304 4.030) 10.163 14.341 ( -4.451 -1.659 0.266) 4.758 14.688 ( 14.688 8.873 -8.256) 19.043 15.025 ( 0.727 -3.846 1.108) 4.068 15.406 ( 5.731 -6.312 -0.909) 8.574 15.774 ( 0.460 5.601 1.314) 5.771 15.808 ( 3.781 11.433 0.256) 12.045 16.197 ( 0.786 4.087 -5.743) 7.093 17.054 ( -6.405 -4.770 7.650) 11.059 17.155 ( -8.050 -6.676 -0.029) 10.458 17.496 ( 0.779 -3.203 -1.900) 3.805 17.574 ( 3.056 0.671 2.994) 4.331 17.996 ( 0.055 -4.210 -3.622) 5.554 18.221 ( 1.390 -0.292 -1.512) 2.075 18.626 ( -1.035 -6.023 7.325) 9.540 18.899 ( -2.721 -4.005 -1.438) 5.051 19.527 ( -3.350 -12.071 -4.840) 13.429 19.820 ( -4.534 8.693 6.183) 11.591 ======================= Grid point 73 (62/148) ======================= q-point: (-0.58 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 2.373 -7.724 -19.186) 20.819 3.140 ( 11.623 -13.624 -19.801) 26.698 3.714 ( -7.344 -7.191 -1.357) 10.368 3.916 ( -3.245 13.338 -6.387) 15.140 4.578 ( 6.991 24.964 2.578) 26.052 5.423 ( 16.949 -12.476 2.058) 21.146 5.725 ( 16.020 -19.534 9.141) 26.866 6.607 ( -8.062 16.459 -6.513) 19.450 6.952 ( 0.724 -14.753 -0.824) 14.793 7.061 ( -6.390 -9.492 1.627) 11.558 7.497 ( -4.653 -17.628 -15.510) 23.937 8.378 ( 13.156 12.456 -1.643) 18.192 8.597 ( 10.463 16.164 14.632) 24.183 9.317 ( 11.058 -3.704 0.454) 11.671 9.453 ( 0.024 -8.271 10.305) 13.214 10.384 ( 8.335 -2.466 -2.563) 9.062 10.468 ( 0.997 4.483 -9.055) 10.153 11.063 ( 9.984 -10.227 -11.456) 18.317 11.469 ( -17.241 13.829 2.192) 22.210 11.822 ( 5.559 -0.243 -7.263) 9.149 12.174 ( -15.672 7.899 0.703) 17.564 12.582 ( -7.016 10.824 3.203) 13.291 13.035 ( -1.272 10.057 9.742) 14.059 13.599 ( -15.482 -0.804 5.429) 16.426 13.862 ( 13.700 2.062 4.103) 14.449 14.248 ( -1.254 0.552 2.203) 2.594 14.922 ( -1.611 -3.567 2.601) 4.699 15.023 ( 9.041 -2.041 -5.031) 10.546 15.494 ( 9.033 -0.999 -0.345) 9.094 15.941 ( 0.451 9.308 -2.328) 9.606 16.065 ( 2.809 5.575 -1.344) 6.386 16.305 ( 1.076 3.173 -4.553) 5.654 16.786 ( -8.116 -5.409 4.725) 10.838 16.912 ( -4.514 -2.323 -0.451) 5.097 17.389 ( -2.534 -5.897 -1.760) 6.656 17.594 ( 2.525 -4.022 3.932) 6.165 17.889 ( -2.429 -4.109 -0.374) 4.788 18.217 ( -1.227 -0.966 -6.017) 6.216 18.507 ( 0.862 -4.635 7.707) 9.034 18.814 ( 1.269 -0.349 -0.163) 1.326 19.256 ( 0.353 -9.049 -1.659) 9.206 19.867 ( -7.869 8.852 6.476) 13.499 ======================= Grid point 74 (63/148) ======================= q-point: (-0.08 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 20.469 21.974 -2.534) 30.138 2.079 ( 23.624 19.647 -10.141) 32.356 3.248 ( 14.821 40.958 -10.321) 44.763 3.820 ( 0.247 -9.950 3.253) 10.471 4.460 ( 2.888 -17.119 -3.098) 17.635 5.924 ( 10.611 5.060 13.193) 17.671 6.321 ( -4.987 -10.191 3.531) 11.882 6.601 ( 16.034 -1.109 10.193) 19.032 6.834 ( -4.622 13.829 3.292) 14.948 7.037 ( 0.567 19.850 -3.499) 20.164 7.346 ( -12.142 4.750 -9.071) 15.883 8.013 ( 10.657 -3.069 1.705) 11.220 8.526 ( 5.507 -14.815 -15.985) 22.480 9.563 ( 12.986 -5.564 6.249) 15.448 9.888 ( 0.688 0.488 -1.767) 1.958 9.995 ( 17.424 6.311 1.824) 18.621 10.291 ( 12.081 0.741 1.060) 12.150 10.584 ( 9.163 10.512 -5.775) 15.094 11.433 ( 2.415 -3.445 -2.011) 4.663 11.690 ( -9.758 -7.949 2.610) 12.853 12.035 ( -30.139 2.894 -4.659) 30.634 12.818 ( 1.452 -12.996 6.223) 14.482 13.196 ( -3.623 -11.962 -3.770) 13.055 13.803 ( -13.133 -3.269 1.289) 13.595 14.054 ( 4.899 -8.919 0.564) 10.192 14.366 ( 4.679 0.827 0.776) 4.815 14.514 ( 1.771 -2.065 -5.969) 6.560 14.975 ( 6.089 -2.560 -3.373) 7.417 15.476 ( 8.712 -0.485 -0.249) 8.729 15.893 ( 7.624 -1.433 1.770) 7.956 16.028 ( 1.702 -1.745 0.006) 2.437 16.181 ( 3.373 1.657 -0.560) 3.800 16.850 ( -14.382 5.076 -0.904) 15.278 16.904 ( -4.847 1.742 0.048) 5.151 17.300 ( -2.015 7.575 -1.583) 7.996 17.877 ( -1.392 2.341 1.517) 3.118 18.052 ( -4.632 6.544 0.138) 8.018 18.120 ( 3.582 -2.718 10.996) 11.880 18.549 ( -2.369 -3.141 -4.884) 6.271 19.109 ( 1.457 1.264 6.867) 7.133 19.302 ( 1.514 4.879 0.595) 5.143 19.978 ( -16.390 -6.260 -3.459) 17.882 ======================= Grid point 75 (64/148) ======================= q-point: (-0.08 -0.08 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 14.080 20.327 -0.876) 24.743 2.919 ( 14.897 21.111 -6.987) 26.766 3.591 ( -0.857 -9.476 4.102) 10.361 4.034 ( 2.007 -11.887 2.494) 12.310 4.346 ( 3.113 29.257 -2.282) 29.510 5.807 ( 0.138 -28.738 4.451) 29.081 6.344 ( 3.810 10.862 18.419) 21.720 6.802 ( 3.925 -7.134 6.736) 10.568 6.997 ( 0.678 18.867 -6.139) 19.853 7.427 ( -0.170 17.714 -8.783) 19.773 7.678 ( 23.994 -0.353 -2.920) 24.173 8.000 ( -0.405 -11.099 -4.051) 11.823 8.495 ( 0.840 13.391 -7.713) 15.477 9.567 ( 6.364 -9.594 3.204) 11.950 9.754 ( 0.244 -11.702 -1.170) 11.763 10.291 ( 1.611 5.176 6.759) 8.664 10.474 ( -9.374 -0.294 3.295) 9.941 10.708 ( -9.889 -6.783 -5.943) 13.384 11.425 ( 16.410 4.539 2.605) 17.224 11.692 ( 2.915 5.850 -4.529) 7.952 11.853 ( 1.993 12.129 -3.064) 12.668 12.523 ( -0.839 -15.518 8.424) 17.677 12.845 ( -1.534 -15.551 -6.388) 16.882 13.342 ( -24.734 -3.133 -2.004) 25.012 14.064 ( 4.619 0.719 0.588) 4.712 14.381 ( 1.982 -7.510 -7.654) 10.905 14.656 ( 3.379 10.603 3.955) 11.810 15.033 ( 4.117 -4.113 -3.752) 6.924 15.680 ( 6.293 3.829 0.867) 7.417 15.977 ( 0.670 -5.557 1.786) 5.876 16.068 ( 10.519 -0.238 2.736) 10.872 16.262 ( 1.946 0.610 -0.145) 2.044 16.666 ( -9.727 2.088 -0.586) 9.966 16.738 ( -6.886 -3.503 -1.371) 7.847 17.460 ( 0.602 9.897 -0.617) 9.934 17.837 ( -2.228 -2.524 -0.511) 3.405 18.125 ( -1.525 5.872 2.393) 6.522 18.163 ( 1.497 2.432 6.729) 7.310 18.459 ( -1.939 -0.732 -5.202) 5.600 18.962 ( -6.287 -12.761 -0.536) 14.236 19.416 ( -0.149 5.045 1.562) 5.284 19.605 ( -8.163 -1.421 1.344) 8.394 ======================= Grid point 76 (65/148) ======================= q-point: (-0.58 -0.08 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -1.721 -4.566 -11.917) 12.877 2.734 ( -6.969 -20.446 -12.447) 24.931 3.711 ( 1.149 10.339 4.556) 11.357 4.142 ( -5.001 10.417 -10.827) 15.835 4.955 ( -0.352 -10.517 7.701) 13.039 5.118 ( 2.533 3.125 -3.386) 5.258 5.641 ( -4.886 -19.586 -16.206) 25.887 6.439 ( -11.201 -11.630 0.518) 16.155 6.951 ( 1.928 8.360 -1.012) 8.639 7.011 ( 18.387 -0.592 -6.579) 19.538 7.507 ( 18.748 -3.244 6.715) 20.176 8.777 ( 8.117 6.261 4.243) 11.095 8.963 ( 1.470 -0.953 19.397) 19.476 9.385 ( 1.893 10.585 3.583) 11.334 9.714 ( 13.358 5.466 -9.252) 17.143 10.305 ( 4.763 -11.011 2.681) 12.293 10.404 ( -5.200 -2.468 -12.424) 13.692 11.021 ( -25.876 6.461 4.851) 27.108 11.421 ( 10.247 -1.526 -10.344) 14.640 11.759 ( 0.832 -6.973 -5.764) 9.085 12.101 ( -5.159 5.688 -0.554) 7.699 12.750 ( 0.770 7.800 -0.155) 7.840 13.028 ( -18.559 2.302 9.001) 20.754 13.373 ( 0.109 3.231 5.787) 6.628 14.164 ( 4.899 7.118 -0.106) 8.642 14.326 ( 7.133 0.122 7.170) 10.115 14.835 ( 1.033 -3.306 5.184) 6.234 15.031 ( 1.105 -5.907 -0.699) 6.050 15.707 ( 8.119 2.694 0.501) 8.569 16.124 ( -0.554 7.453 -2.483) 7.876 16.163 ( 1.049 1.180 -1.097) 1.923 16.335 ( -1.472 0.470 -4.152) 4.430 16.529 ( -6.219 -5.267 -0.714) 8.181 16.901 ( 0.937 4.183 -0.576) 4.325 17.160 ( -4.549 -7.037 -1.054) 8.446 17.561 ( 2.480 -4.942 -0.086) 5.530 17.691 ( -5.923 -4.765 1.663) 7.782 18.236 ( -0.101 5.369 -3.610) 6.471 18.464 ( 2.058 -3.099 4.172) 5.590 18.796 ( 0.503 -5.631 -6.992) 8.992 19.290 ( 9.480 0.434 2.724) 9.874 19.865 ( -7.543 7.483 7.500) 13.005 ======================= Grid point 77 (66/148) ======================= q-point: ( 0.42 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -11.744 0.000 1.358) 11.822 2.360 ( -11.728 0.000 -3.591) 12.265 3.835 ( -6.228 -0.000 13.214) 14.609 4.130 ( -3.679 0.000 -7.230) 8.112 4.827 ( 6.259 -0.000 -3.648) 7.244 5.222 ( -6.150 0.000 -22.598) 23.419 5.247 ( -0.029 0.000 -0.786) 0.786 6.148 ( -2.001 -0.000 3.836) 4.327 7.021 ( -1.465 0.000 -5.205) 5.407 7.233 ( 0.145 0.000 -3.174) 3.177 7.955 ( 18.929 -0.000 24.983) 31.344 8.723 ( -23.754 0.000 1.408) 23.795 9.222 ( 16.582 -0.000 -7.032) 18.011 9.410 ( 4.042 -0.000 3.448) 5.313 9.868 ( -5.171 0.000 -6.939) 8.654 10.335 ( 3.686 -0.000 -0.773) 3.766 10.489 ( 15.164 -0.000 -3.013) 15.461 10.606 ( -14.712 0.000 2.321) 14.894 11.421 ( -13.456 0.000 4.853) 14.304 11.549 ( -5.291 0.000 -0.878) 5.363 12.123 ( -6.557 0.000 -2.379) 6.976 12.859 ( 12.213 -0.000 2.280) 12.424 12.887 ( 2.910 0.000 -3.968) 4.921 13.468 ( 2.254 -0.000 4.841) 5.340 14.296 ( 0.496 0.000 -4.430) 4.458 14.492 ( 5.174 -0.000 9.323) 10.662 14.852 ( 2.568 -0.000 -0.060) 2.569 14.934 ( -1.158 -0.000 4.865) 5.001 15.856 ( 1.007 -0.000 -0.069) 1.010 16.164 ( -0.190 0.000 -0.062) 0.200 16.251 ( 0.305 -0.000 0.148) 0.339 16.275 ( -1.703 0.000 -2.123) 2.722 16.311 ( -6.737 0.000 -1.632) 6.932 16.974 ( -1.406 0.000 -0.234) 1.425 17.032 ( -0.729 0.000 -0.439) 0.851 17.470 ( 1.333 -0.000 -0.046) 1.334 17.622 ( 1.679 0.000 -1.917) 2.549 18.377 ( 2.417 -0.000 5.355) 5.876 18.421 ( 0.144 0.000 -7.688) 7.689 18.724 ( 0.162 0.000 -6.782) 6.784 19.437 ( 0.889 0.000 -0.897) 1.263 19.887 ( 2.906 -0.000 8.428) 8.915 ======================= Grid point 78 (67/148) ======================= q-point: (-0.08 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( -4.680 -12.559 0.070) 13.402 3.221 ( 4.680 12.559 0.070) 13.402 3.624 ( -3.076 -19.531 -1.484) 19.828 3.624 ( 3.076 19.531 -1.484) 19.828 5.111 ( 1.833 -39.201 6.105) 39.716 5.111 ( -1.833 39.201 6.105) 39.716 6.614 ( 3.340 -15.064 11.350) 19.155 6.614 ( -3.340 15.064 11.350) 19.155 7.528 ( -4.803 -21.015 -7.649) 22.874 7.528 ( 4.803 21.015 -7.649) 22.874 7.798 ( 6.083 -19.916 -6.633) 21.855 7.798 ( -6.083 19.916 -6.633) 21.855 9.121 ( -5.876 -30.745 0.180) 31.302 9.121 ( 5.876 30.745 0.180) 31.302 9.912 ( -24.803 -0.376 0.410) 24.809 9.912 ( 24.803 0.376 0.410) 24.809 10.467 ( 4.454 -14.134 2.733) 15.069 10.467 ( -4.454 14.134 2.733) 15.069 11.808 ( -1.261 -6.378 -2.513) 6.971 11.808 ( 1.261 6.378 -2.513) 6.971 12.240 ( -2.188 -9.663 4.512) 10.887 12.240 ( 2.188 9.663 4.512) 10.887 12.756 ( -20.973 2.249 -5.115) 21.705 12.756 ( 20.973 -2.249 -5.115) 21.705 14.224 ( -2.144 -6.490 -3.760) 7.801 14.224 ( 2.144 6.490 -3.760) 7.801 14.932 ( 1.811 -11.488 0.968) 11.670 14.932 ( -1.811 11.488 0.968) 11.670 15.853 ( -1.806 -5.074 1.979) 5.738 15.853 ( 1.806 5.074 1.979) 5.738 16.260 ( -1.241 -2.397 0.649) 2.777 16.260 ( 1.241 2.397 0.649) 2.777 16.581 ( -0.266 -2.067 -1.101) 2.357 16.581 ( 0.266 2.067 -1.101) 2.357 17.685 ( -2.763 -7.157 0.086) 7.672 17.685 ( 2.763 7.157 0.086) 7.672 18.215 ( 1.802 -2.649 3.376) 4.654 18.215 ( -1.802 2.649 3.376) 4.654 18.534 ( -6.154 -8.263 -4.497) 11.241 18.534 ( 6.154 8.263 -4.497) 11.241 19.501 ( -0.948 -2.510 2.313) 3.543 19.501 ( 0.948 2.510 2.313) 3.543 ======================= Grid point 82 (68/148) ======================= q-point: ( 0.42 -0.08 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -17.599 18.529 8.940) 27.074 2.355 ( -20.740 17.686 17.426) 32.351 3.472 ( -5.834 27.142 10.740) 29.767 3.770 ( 0.089 -10.130 -0.588) 10.147 4.532 ( -4.988 -18.871 3.740) 19.874 5.691 ( -6.508 8.511 -10.343) 14.892 6.168 ( 2.500 5.946 -11.014) 12.764 6.454 ( -12.795 -12.399 -3.427) 18.144 6.793 ( 3.316 19.837 0.179) 20.113 7.092 ( 4.680 18.418 1.810) 19.089 7.444 ( 4.442 3.028 -0.059) 5.376 8.075 ( -12.810 -6.692 7.614) 16.335 8.765 ( -9.771 -17.209 7.278) 21.086 9.448 ( -11.903 -1.029 -6.386) 13.547 9.925 ( -1.112 -3.608 -5.814) 6.932 9.990 ( -2.770 5.861 9.123) 11.192 10.240 ( -13.812 1.709 -1.056) 13.957 10.741 ( -12.536 12.016 8.359) 19.272 11.483 ( -1.601 -1.358 3.038) 3.693 11.646 ( 13.220 -10.301 -1.623) 16.838 12.128 ( 22.533 -0.568 4.173) 22.924 12.710 ( 2.721 -11.405 -4.439) 12.538 13.239 ( 1.751 -11.244 0.062) 11.380 13.767 ( 12.879 -0.811 -2.466) 13.138 14.014 ( -4.444 -6.391 -3.319) 8.462 14.341 ( -4.666 -0.491 -1.740) 5.004 14.680 ( -4.600 -5.609 10.106) 12.440 15.018 ( -4.845 2.863 0.294) 5.635 15.483 ( -8.695 -1.034 0.456) 8.769 15.871 ( -3.933 -2.726 -0.023) 4.786 16.029 ( -1.574 -4.439 0.246) 4.716 16.197 ( -3.577 0.060 1.224) 3.781 16.866 ( 12.930 5.650 0.385) 14.116 16.905 ( 5.637 2.116 0.116) 6.022 17.333 ( 2.108 6.814 1.535) 7.295 17.805 ( -0.305 8.975 -6.031) 10.818 17.952 ( -2.967 -6.006 -4.726) 8.199 18.067 ( 4.288 5.101 1.464) 6.823 18.625 ( 3.104 -0.787 3.023) 4.404 18.951 ( -1.265 5.462 -8.707) 10.356 19.273 ( -2.429 4.541 -1.915) 5.494 20.023 ( 13.825 -11.030 0.322) 17.689 ======================= Grid point 86 (69/148) ======================= q-point: ( 0.27 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.000 38.371 9.192) 39.456 2.013 ( -0.000 32.442 1.952) 32.500 3.714 ( 0.000 -4.835 -8.373) 9.669 3.976 ( 0.000 -23.436 -2.559) 23.575 4.081 ( -0.000 55.084 7.825) 55.637 4.981 ( 0.000 -12.777 -4.347) 13.496 5.875 ( 0.000 -29.035 5.370) 29.528 6.782 ( -0.000 -1.686 9.027) 9.183 6.827 ( 0.000 1.266 -11.438) 11.508 7.377 ( 0.000 -3.574 0.411) 3.597 7.593 ( -0.000 2.573 1.677) 3.071 8.302 ( -0.000 13.036 2.935) 13.362 8.711 ( -0.000 30.990 7.791) 31.955 8.911 ( 0.000 1.905 -14.480) 14.605 9.600 ( -0.000 9.738 -2.112) 9.964 9.898 ( -0.000 6.418 9.336) 11.329 10.014 ( 0.000 -8.848 -7.460) 11.573 10.831 ( -0.000 22.629 6.007) 23.413 10.943 ( 0.000 -30.635 9.124) 31.965 11.846 ( -0.000 8.677 -8.703) 12.290 12.369 ( 0.000 -17.314 -2.756) 17.532 12.717 ( 0.000 -12.197 3.982) 12.831 13.584 ( 0.000 -4.503 -2.548) 5.173 13.639 ( 0.000 -12.580 9.225) 15.599 13.904 ( -0.000 -0.413 4.496) 4.515 13.974 ( -0.000 10.760 -5.712) 12.182 14.521 ( 0.000 -1.527 -2.330) 2.786 14.886 ( -0.000 3.465 5.881) 6.826 15.321 ( -0.000 5.939 0.049) 5.940 15.673 ( 0.000 -2.782 1.829) 3.329 15.815 ( 0.000 -11.741 -0.355) 11.746 16.159 ( -0.000 3.689 -1.885) 4.142 17.273 ( 0.000 -5.537 1.986) 5.882 17.276 ( -0.000 10.502 -0.233) 10.505 17.470 ( 0.000 -0.582 0.177) 0.608 17.562 ( 0.000 -3.489 -0.185) 3.494 18.130 ( 0.000 4.808 -10.848) 11.866 18.256 ( 0.000 0.482 -1.096) 1.197 18.600 ( -0.000 0.823 8.560) 8.599 19.085 ( 0.000 -0.358 -3.629) 3.646 19.447 ( -0.000 7.231 -0.156) 7.232 20.206 ( 0.000 -11.499 -2.896) 11.858 ======================= Grid point 87 (70/148) ======================= q-point: (-0.23 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 -3.124 -29.817) 29.980 1.330 ( 0.000 -9.063 -31.419) 32.700 2.513 ( 0.000 -33.793 -36.918) 50.049 4.036 ( -0.000 9.243 -5.330) 10.670 4.711 ( -0.000 10.351 -3.829) 11.036 5.156 ( -0.000 4.826 18.468) 19.088 5.894 ( 0.000 -20.577 20.754) 29.226 6.641 ( -0.000 -2.337 3.705) 4.380 6.926 ( 0.000 -1.786 -6.925) 7.151 7.194 ( 0.000 -1.670 -6.533) 6.743 7.547 ( 0.000 -3.199 -5.214) 6.117 7.673 ( -0.000 7.471 4.254) 8.597 8.477 ( -0.000 -3.156 9.283) 9.804 9.164 ( -0.000 8.496 -9.882) 13.032 9.359 ( 0.000 -4.263 -13.397) 14.059 9.703 ( 0.000 -7.470 0.833) 7.516 10.324 ( -0.000 6.467 -1.716) 6.691 10.396 ( 0.000 -7.202 -14.513) 16.202 11.279 ( 0.000 -4.426 5.747) 7.253 12.287 ( -0.000 15.340 -8.569) 17.571 12.852 ( -0.000 7.486 2.171) 7.795 12.969 ( -0.000 2.166 4.425) 4.927 13.657 ( -0.000 2.598 4.827) 5.482 13.856 ( -0.000 12.807 3.930) 13.396 14.112 ( 0.000 2.727 -6.532) 7.078 14.373 ( -0.000 6.384 -1.935) 6.670 14.422 ( -0.000 -1.908 6.514) 6.788 14.921 ( 0.000 -0.197 -2.627) 2.635 15.217 ( 0.000 -0.628 0.784) 1.005 15.896 ( -0.000 3.589 -5.356) 6.447 16.079 ( -0.000 1.380 -0.070) 1.381 16.150 ( -0.000 8.292 -7.175) 10.965 16.875 ( 0.000 -5.906 0.638) 5.941 17.182 ( 0.000 -12.299 8.396) 14.892 17.287 ( 0.000 -12.123 2.219) 12.325 17.657 ( -0.000 2.482 1.541) 2.921 17.828 ( -0.000 4.817 -3.452) 5.926 18.147 ( 0.000 -1.512 1.057) 1.845 18.678 ( 0.000 -7.983 0.250) 7.987 18.769 ( -0.000 -2.789 8.800) 9.231 19.093 ( 0.000 -4.712 2.553) 5.359 20.654 ( -0.000 12.643 6.571) 14.248 ======================= Grid point 88 (71/148) ======================= q-point: (-0.23 -0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 8.084 0.000 -28.498) 29.623 1.416 ( 13.178 0.000 -27.354) 30.363 2.391 ( 24.186 0.000 -40.978) 47.583 4.114 ( -1.725 0.000 -6.134) 6.371 4.858 ( 3.605 0.000 -6.272) 7.234 5.434 ( 15.088 -0.000 16.364) 22.258 5.581 ( -6.254 -0.000 20.200) 21.146 6.337 ( -10.267 0.000 5.808) 11.796 6.836 ( 1.295 0.000 -3.245) 3.494 7.134 ( -26.323 0.000 -4.764) 26.750 7.467 ( 2.927 -0.000 7.638) 8.180 7.908 ( 17.118 -0.000 -6.029) 18.149 8.830 ( 28.585 -0.000 4.329) 28.911 9.280 ( 4.221 0.000 -8.084) 9.120 9.598 ( 25.088 -0.000 -15.232) 29.350 9.639 ( -1.753 -0.000 3.021) 3.493 10.247 ( -4.013 0.000 -6.738) 7.843 10.415 ( -1.152 0.000 0.647) 1.321 11.267 ( 2.967 -0.000 2.520) 3.893 12.380 ( -5.633 0.000 -10.560) 11.969 12.685 ( -25.532 0.000 5.440) 26.105 12.978 ( -1.398 0.000 0.387) 1.451 13.525 ( -5.493 0.000 2.462) 6.020 14.058 ( 8.346 -0.000 5.543) 10.019 14.190 ( -14.133 0.000 4.825) 14.934 14.456 ( -1.460 -0.000 4.673) 4.895 14.508 ( 18.233 -0.000 3.444) 18.556 14.921 ( 0.127 0.000 -4.570) 4.572 15.321 ( 9.436 -0.000 1.079) 9.497 15.962 ( 3.118 0.000 -6.003) 6.765 16.093 ( 0.543 -0.000 -0.263) 0.603 16.367 ( -1.312 0.000 0.772) 1.522 16.678 ( -13.714 0.000 -5.518) 14.782 16.837 ( 0.529 -0.000 -0.239) 0.580 17.145 ( -2.226 0.000 -2.639) 3.453 17.626 ( -1.732 -0.000 4.893) 5.190 18.061 ( -3.965 0.000 -0.478) 3.994 18.119 ( 9.745 -0.000 3.803) 10.461 18.508 ( -1.015 0.000 0.603) 1.181 18.765 ( -0.662 -0.000 6.696) 6.728 19.085 ( 3.611 -0.000 2.704) 4.511 20.643 ( -13.516 0.000 3.940) 14.079 ======================= Grid point 89 (72/148) ======================= q-point: ( 0.27 -0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 9.889 31.573 0.503) 33.089 2.755 ( 14.683 36.069 1.104) 38.958 3.484 ( -1.682 -16.583 -8.538) 18.727 3.617 ( 0.544 -7.869 -8.069) 11.284 5.043 ( 26.976 -9.813 -1.340) 28.736 5.185 ( -0.823 21.344 0.968) 21.382 5.195 ( -0.872 -6.357 4.097) 7.613 6.567 ( -6.602 -3.898 -4.977) 9.141 6.968 ( 12.225 -9.771 7.926) 17.543 7.424 ( 4.142 1.223 2.322) 4.903 7.653 ( 1.054 5.766 -0.182) 5.865 8.068 ( -15.290 -1.951 7.311) 17.060 9.010 ( 5.608 -8.946 -4.271) 11.390 9.462 ( -9.805 27.698 -9.238) 30.800 9.631 ( 4.108 -11.890 -9.577) 15.810 9.946 ( -3.276 1.213 7.483) 8.258 10.111 ( 18.663 8.112 -7.477) 21.680 10.615 ( 9.037 -3.249 12.178) 15.509 11.305 ( -2.395 22.967 4.678) 23.561 11.980 ( -0.722 -2.071 -12.220) 12.415 12.067 ( 4.173 -9.803 -3.405) 11.185 12.465 ( -4.970 -3.584 8.894) 10.800 13.074 ( -21.857 -9.071 7.469) 24.816 13.600 ( 9.267 -4.069 -0.374) 10.128 13.752 ( -6.558 -1.060 4.280) 7.902 14.374 ( -4.168 -0.872 -0.524) 4.291 14.609 ( 12.747 11.768 -6.604) 18.563 14.978 ( 1.541 3.396 5.445) 6.600 15.534 ( 4.693 6.825 -0.685) 8.311 15.631 ( 4.752 -5.978 0.093) 7.637 15.677 ( 3.622 -1.161 1.672) 4.155 16.229 ( 0.327 2.974 -3.446) 4.563 17.040 ( -7.395 -5.896 3.734) 10.168 17.234 ( -12.069 -1.124 0.055) 12.121 17.486 ( 2.696 4.192 0.247) 4.990 17.627 ( 5.918 -5.542 -0.440) 8.120 18.163 ( -0.511 -1.226 -7.405) 7.523 18.242 ( 0.051 0.015 -0.963) 0.964 18.572 ( -1.996 -2.142 7.789) 8.321 19.020 ( -2.988 -4.020 -1.946) 5.373 19.572 ( -1.360 6.313 1.542) 6.640 19.879 ( -7.037 -11.493 -3.369) 13.891 ======================= Grid point 90 (73/148) ======================= q-point: ( 0.27 -0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( -0.524 -11.069 -12.571) 16.758 3.441 ( 0.841 14.814 -5.068) 15.680 3.524 ( 1.724 8.715 -3.060) 9.397 3.884 ( 11.228 31.416 3.561) 33.552 4.386 ( -4.707 -34.571 -1.700) 34.932 5.609 ( 38.012 -7.486 -1.163) 38.759 5.976 ( 3.879 8.584 -3.205) 9.950 6.300 ( -6.206 4.876 -1.773) 8.090 7.084 ( 11.260 -3.080 0.495) 11.684 7.243 ( -3.711 -16.239 6.032) 17.716 7.852 ( -10.387 8.391 8.549) 15.856 8.108 ( 10.885 20.044 -2.290) 22.923 8.582 ( 1.321 -28.329 -11.978) 30.786 9.238 ( -9.785 -9.910 11.245) 17.900 9.694 ( 15.435 -11.635 -4.746) 19.903 10.222 ( -4.196 26.164 -2.086) 26.580 10.499 ( 7.483 -0.131 -0.655) 7.512 11.131 ( 10.675 17.262 -4.184) 20.723 11.371 ( -8.299 0.196 0.005) 8.302 11.879 ( 0.996 -6.172 1.106) 6.348 12.141 ( 4.856 4.491 -9.510) 11.584 12.351 ( -17.280 3.998 3.030) 17.993 12.626 ( -4.788 7.295 11.698) 14.594 13.527 ( -12.800 -1.853 4.134) 13.578 13.811 ( 14.655 -1.941 1.676) 14.877 14.211 ( -4.860 -1.328 2.079) 5.450 14.880 ( -4.122 3.306 -0.858) 5.353 15.156 ( 9.530 0.974 -1.928) 9.772 15.582 ( 7.785 -5.533 -1.587) 9.682 15.770 ( 2.054 6.471 1.711) 7.001 15.948 ( 7.578 8.784 -1.790) 11.738 16.309 ( 0.838 3.954 -3.522) 5.361 16.765 ( -7.660 -4.224 5.183) 10.167 16.967 ( -9.770 -1.313 -0.356) 9.865 17.548 ( 1.009 -5.517 -1.305) 5.758 17.584 ( 2.470 -2.796 1.705) 4.102 18.063 ( -0.836 -6.942 -3.726) 7.923 18.317 ( 2.267 3.067 -3.855) 5.423 18.456 ( -0.479 -3.833 6.826) 7.844 18.803 ( -6.845 -3.867 1.728) 8.049 19.523 ( -4.447 -9.891 -3.316) 11.340 19.639 ( -3.901 5.162 2.119) 6.808 ======================= Grid point 92 (74/148) ======================= q-point: (-0.23 -0.10 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 15.232 14.708 -3.302) 21.430 2.731 ( 15.948 23.627 -13.520) 31.550 3.561 ( 1.769 8.203 -2.226) 8.682 3.795 ( 2.336 -5.811 3.180) 7.024 4.630 ( 3.874 -19.191 -4.764) 20.149 5.683 ( -3.802 17.364 9.944) 20.368 6.018 ( -5.680 14.417 8.524) 17.686 6.691 ( 3.395 1.668 3.589) 5.215 6.729 ( -3.822 12.563 -1.945) 13.275 7.116 ( 1.126 3.622 4.667) 6.014 7.724 ( 32.029 0.218 -4.414) 32.332 8.241 ( 3.207 -5.908 -7.077) 9.761 8.916 ( 3.493 -16.414 -14.447) 22.144 9.615 ( 3.640 -2.060 5.805) 7.155 9.817 ( -4.761 -1.250 8.728) 10.020 10.137 ( 6.249 1.170 1.106) 6.453 10.435 ( 2.321 0.863 -0.177) 2.482 10.932 ( -15.564 -5.145 -4.285) 16.943 11.246 ( 3.457 7.276 0.025) 8.055 11.654 ( 12.646 7.976 -5.552) 15.948 11.905 ( -0.899 -4.914 -5.045) 7.099 12.664 ( -2.056 -12.686 6.547) 14.423 13.196 ( -5.351 -10.623 0.617) 11.910 13.373 ( -20.153 -0.490 0.181) 20.160 14.064 ( 1.135 -3.852 1.710) 4.364 14.498 ( 6.125 1.832 0.155) 6.395 14.728 ( 1.598 -6.581 -10.869) 12.806 15.115 ( 3.937 1.690 1.047) 4.410 15.646 ( 6.095 -2.420 -0.107) 6.559 15.963 ( 3.646 0.051 2.449) 4.393 16.076 ( 2.895 -5.428 0.987) 6.231 16.267 ( 2.968 1.368 -1.129) 3.458 16.624 ( -8.673 4.411 -0.865) 9.769 16.819 ( -3.002 -3.252 -0.089) 4.427 17.275 ( -2.632 9.283 -1.102) 9.711 17.793 ( -1.228 8.071 1.558) 8.311 17.923 ( -4.469 8.385 2.781) 9.900 18.048 ( 1.883 -5.221 3.653) 6.645 18.563 ( -2.605 -1.273 -3.505) 4.549 18.965 ( -0.122 6.039 8.028) 10.046 19.359 ( 5.667 -0.478 1.412) 5.860 19.729 ( -13.460 -10.557 -3.249) 17.413 ======================= Grid point 93 (75/148) ======================= q-point: ( 0.27 -0.10 -0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( -7.148 -7.389 -12.256) 15.997 3.321 ( -17.549 -11.197 9.607) 22.927 3.563 ( 2.680 -13.615 -7.655) 15.847 4.051 ( -1.147 15.485 -8.392) 17.650 4.594 ( 1.258 21.631 4.490) 22.127 5.538 ( 4.241 -25.195 -2.709) 25.693 6.241 ( 20.364 -16.816 -7.491) 27.452 6.596 ( -2.731 15.476 -4.075) 16.235 6.801 ( 0.686 -14.991 8.971) 17.484 7.259 ( 3.927 4.208 -14.504) 15.604 7.668 ( -7.534 -9.989 -4.433) 13.274 8.322 ( 7.112 -4.083 20.591) 22.164 8.765 ( 11.852 13.751 -2.806) 18.369 9.027 ( 8.527 0.928 12.866) 15.463 9.893 ( 15.962 -2.109 -6.482) 17.356 10.404 ( -10.937 -0.403 -2.850) 11.309 10.564 ( -6.295 11.221 -2.718) 13.150 10.871 ( -18.899 -1.562 -0.103) 18.964 11.674 ( -2.989 -5.442 -7.799) 9.969 11.854 ( -3.595 3.048 2.471) 5.322 12.015 ( 15.731 0.594 -1.105) 15.781 12.526 ( -0.657 12.416 0.330) 12.438 12.789 ( -4.721 8.262 5.336) 10.910 13.198 ( -10.476 2.170 4.653) 11.666 14.075 ( 10.649 0.039 1.077) 10.704 14.191 ( 2.061 2.399 3.635) 4.819 14.764 ( -6.338 -1.039 4.073) 7.605 15.230 ( 4.159 -7.774 -1.628) 8.966 15.673 ( 5.990 -0.277 -0.686) 6.036 15.976 ( 0.064 9.821 -0.803) 9.854 16.164 ( 2.859 1.966 -1.850) 3.932 16.390 ( -0.813 2.067 -2.990) 3.725 16.585 ( -4.176 -1.698 1.877) 4.883 16.831 ( -4.216 3.604 -0.406) 5.561 17.337 ( -4.473 -9.095 -0.594) 10.153 17.616 ( 4.885 -2.731 1.638) 5.831 17.852 ( -1.869 -10.821 -0.814) 11.011 18.278 ( -1.473 -1.688 -2.387) 3.274 18.466 ( -0.321 0.782 -3.247) 3.355 18.868 ( 8.383 7.691 4.166) 12.116 19.292 ( 0.987 -7.980 0.091) 8.041 19.630 ( -6.218 4.473 1.967) 7.908 ======================= Grid point 94 (76/148) ======================= q-point: ( 0.27 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -15.876 -15.133 0.243) 21.934 2.536 ( -22.639 -10.942 -2.982) 25.320 3.512 ( -6.524 2.110 9.142) 11.428 4.224 ( -6.904 9.402 -9.324) 14.933 4.860 ( -0.950 6.499 4.570) 8.002 5.324 ( 12.276 -11.528 -5.745) 17.793 5.958 ( -4.655 -15.305 -24.997) 29.677 6.259 ( -4.275 -17.400 -0.248) 17.920 6.991 ( -1.083 8.732 -1.135) 8.871 7.217 ( -10.989 -0.480 11.801) 16.133 7.654 ( 16.163 -1.546 -1.526) 16.308 8.437 ( 4.323 2.451 21.524) 22.091 9.183 ( -23.742 18.889 -5.461) 30.827 9.405 ( 34.627 -2.860 0.392) 34.747 9.966 ( -8.467 0.285 -4.259) 9.482 10.374 ( 12.749 4.295 -0.516) 13.462 10.520 ( -11.072 -1.171 -1.767) 11.273 10.608 ( 2.069 -0.825 -3.000) 3.737 11.365 ( -17.130 -3.516 -0.382) 17.492 11.617 ( -9.256 -6.131 5.265) 12.288 12.156 ( -17.771 2.144 -2.166) 18.031 12.791 ( 26.150 1.206 2.380) 26.286 12.935 ( 4.633 6.037 -7.119) 10.421 13.282 ( 2.737 5.742 7.505) 9.838 14.287 ( 4.668 5.450 -1.088) 7.258 14.320 ( 3.350 2.693 2.646) 5.047 14.668 ( -2.626 3.305 8.675) 9.647 15.085 ( 2.312 -11.391 -0.941) 11.661 15.796 ( 0.368 4.561 0.337) 4.588 16.132 ( -1.970 7.537 -1.157) 7.876 16.186 ( -0.242 -1.538 -0.395) 1.606 16.320 ( -6.598 -1.104 -1.755) 6.916 16.457 ( -2.224 -5.202 -1.069) 5.758 16.909 ( -0.483 5.774 0.060) 5.795 17.096 ( -2.452 -5.353 -0.168) 5.890 17.595 ( 1.450 -10.744 -0.256) 10.844 17.673 ( 4.381 -1.834 -0.510) 4.777 18.281 ( 1.833 1.330 -0.183) 2.272 18.545 ( 1.229 5.455 -6.753) 8.768 18.961 ( 1.204 -8.085 -7.771) 11.278 19.432 ( 9.884 1.082 4.222) 10.803 19.592 ( -3.848 7.242 7.876) 11.370 ======================= Grid point 95 (77/148) ======================= q-point: (-0.23 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 3.795 18.040 1.507) 18.496 3.381 ( 9.373 4.944 -9.265) 14.076 3.502 ( 0.485 -7.263 3.564) 8.105 3.988 ( -0.169 7.390 5.653) 9.306 4.321 ( -2.952 2.973 1.583) 4.479 5.705 ( 0.934 -27.138 5.126) 27.633 6.059 ( -0.661 15.959 9.707) 18.691 6.688 ( -2.718 -6.691 3.763) 8.144 7.142 ( 3.028 23.430 -4.517) 24.053 7.441 ( -2.890 28.335 2.439) 28.586 7.998 ( -6.179 -5.796 -8.367) 11.908 8.234 ( 9.223 -17.037 0.794) 19.390 8.782 ( 3.188 4.640 -11.956) 13.215 9.512 ( -7.844 -4.248 2.754) 9.335 9.871 ( 5.525 -6.133 5.193) 9.753 10.069 ( -1.931 -8.507 -3.017) 9.231 10.188 ( -3.185 4.780 1.098) 5.848 10.650 ( 1.686 -8.464 3.821) 9.438 11.594 ( 5.541 11.624 1.090) 12.923 11.944 ( 1.959 3.533 -5.057) 6.473 12.093 ( 4.259 -0.029 0.223) 4.265 12.361 ( 1.613 -13.054 5.653) 14.316 12.815 ( -14.477 0.593 -2.970) 14.790 13.007 ( 2.328 -10.397 -4.611) 11.609 14.135 ( 0.886 6.454 -0.619) 6.543 14.472 ( -5.281 -5.144 -5.664) 9.296 14.765 ( 3.811 3.140 -3.349) 5.967 15.106 ( 3.181 -8.538 3.170) 9.647 15.722 ( 0.510 2.546 1.780) 3.148 15.942 ( -1.613 -5.617 0.069) 5.844 16.111 ( -1.102 5.283 3.378) 6.367 16.328 ( 2.449 -1.766 -0.141) 3.023 16.568 ( -0.162 1.274 -0.690) 1.458 16.674 ( -0.083 -4.448 -0.821) 4.524 17.481 ( 1.096 11.167 0.456) 11.230 17.796 ( -3.358 -2.420 -2.147) 4.662 18.040 ( -0.457 7.816 3.577) 8.608 18.115 ( 2.235 4.909 2.905) 6.126 18.525 ( 0.725 1.173 -3.571) 3.828 18.860 ( -4.534 -12.079 -1.380) 12.976 19.389 ( -0.120 1.224 1.009) 1.591 19.481 ( 0.338 -0.227 1.964) 2.005 ======================= Grid point 96 (78/148) ======================= q-point: (-0.23 -0.10 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -8.052 -16.600 -1.580) 18.517 3.218 ( -2.209 11.676 4.443) 12.687 3.531 ( -9.286 -17.567 -1.107) 19.901 3.691 ( -1.060 9.690 -1.589) 9.877 4.982 ( 3.185 30.105 4.149) 30.556 5.066 ( 5.531 -30.052 5.278) 31.009 6.314 ( -3.922 -2.791 6.051) 7.732 6.391 ( -13.557 7.192 7.980) 17.297 7.476 ( -8.327 1.364 -7.308) 11.163 7.712 ( -1.864 -10.305 -5.306) 11.740 7.768 ( -5.543 13.273 -4.603) 15.103 7.898 ( -4.573 -5.070 -2.533) 7.282 9.045 ( -0.563 -25.529 -1.198) 25.563 9.124 ( -3.174 23.867 2.829) 24.243 9.655 ( -2.081 -1.541 0.980) 2.769 10.198 ( -10.141 5.805 0.490) 11.695 10.417 ( 11.433 -0.848 2.018) 11.641 10.668 ( 20.603 -2.545 1.840) 20.841 11.644 ( -21.590 -8.778 -4.664) 23.768 11.864 ( -5.994 -2.890 4.753) 8.178 11.991 ( 8.497 3.613 -0.933) 9.281 12.201 ( -2.917 -0.931 2.827) 4.167 12.701 ( 1.101 5.747 -6.075) 8.435 13.333 ( 23.118 2.907 -3.256) 23.527 14.123 ( -10.334 -0.895 -1.650) 10.503 14.386 ( -1.132 6.204 -7.763) 10.002 14.691 ( -6.594 -6.249 6.186) 10.991 15.097 ( 5.890 -2.475 -1.364) 6.533 15.759 ( -4.193 -3.526 0.476) 5.499 15.792 ( -2.251 3.918 2.844) 5.339 16.031 ( -11.300 1.470 0.868) 11.428 16.271 ( -3.829 -1.712 0.928) 4.295 16.684 ( 9.941 0.362 -0.588) 9.965 16.754 ( 9.309 -0.118 -2.055) 9.534 17.630 ( -2.766 -4.303 -0.496) 5.139 17.713 ( 0.601 6.402 0.828) 6.483 18.095 ( -2.635 -0.334 2.179) 3.435 18.210 ( 1.215 -1.649 1.867) 2.772 18.585 ( 1.517 -2.544 -5.739) 6.458 18.746 ( 7.262 6.666 0.237) 9.861 19.472 ( 2.370 -3.429 1.931) 4.594 19.500 ( 4.557 3.491 2.218) 6.154 ======================= Grid point 97 (79/148) ======================= q-point: ( 0.27 -0.10 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -23.281 0.000 7.467) 24.449 1.952 ( -25.051 0.000 3.419) 25.284 3.197 ( -25.470 0.000 15.474) 29.802 4.192 ( -5.332 0.000 -6.913) 8.730 4.898 ( -2.479 -0.000 4.093) 4.785 5.517 ( 15.334 0.000 -12.797) 19.972 5.685 ( -1.380 0.000 -30.983) 31.014 6.086 ( 7.671 -0.000 8.746) 11.633 7.030 ( -4.744 -0.000 17.570) 18.199 7.087 ( 2.590 -0.000 -0.143) 2.594 7.687 ( -20.366 0.000 -3.031) 20.590 8.443 ( -11.575 0.000 -7.121) 13.590 8.909 ( -1.532 -0.000 20.612) 20.669 9.877 ( -3.700 0.000 -8.954) 9.689 10.020 ( 15.219 -0.000 0.683) 15.234 10.196 ( -21.923 0.000 -5.485) 22.599 10.458 ( -1.097 0.000 -7.055) 7.140 10.747 ( -31.461 0.000 10.088) 33.039 11.033 ( 32.104 -0.000 -0.110) 32.105 11.415 ( -2.407 -0.000 2.964) 3.818 11.955 ( -0.665 -0.000 3.464) 3.527 13.085 ( 2.764 0.000 -8.699) 9.128 13.390 ( 26.819 -0.000 -1.778) 26.878 13.408 ( 2.825 -0.000 6.461) 7.051 14.387 ( 0.689 -0.000 5.550) 5.592 14.420 ( 1.263 0.000 -4.677) 4.844 14.813 ( 1.116 -0.000 5.223) 5.341 14.935 ( 2.733 -0.000 -2.184) 3.499 15.785 ( -7.763 0.000 -0.211) 7.766 16.138 ( -1.621 0.000 0.059) 1.622 16.141 ( -6.727 0.000 3.816) 7.734 16.218 ( -6.945 0.000 -0.525) 6.965 16.285 ( 2.473 -0.000 -0.135) 2.477 16.958 ( -5.123 0.000 -0.191) 5.127 16.982 ( 2.217 -0.000 0.578) 2.291 17.616 ( 9.773 -0.000 -1.150) 9.841 17.727 ( 3.570 -0.000 -1.760) 3.980 18.378 ( 4.078 -0.000 1.714) 4.423 18.635 ( -1.397 0.000 -15.063) 15.127 18.853 ( 0.705 0.000 -4.598) 4.651 19.380 ( -6.883 0.000 -1.389) 7.021 19.853 ( 12.223 -0.000 14.040) 18.615 ======================= Grid point 99 (80/148) ======================= q-point: (-0.23 -0.10 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -13.586 -24.623 -5.005) 28.564 2.727 ( -20.670 -20.516 -12.671) 31.761 3.488 ( -0.174 12.279 7.102) 14.186 3.977 ( -1.409 11.066 -0.020) 11.155 4.351 ( -1.881 -28.526 -3.961) 28.861 5.796 ( -21.145 3.001 4.375) 21.801 5.824 ( -1.014 26.149 3.606) 26.416 6.344 ( -5.596 0.672 7.806) 9.628 7.259 ( 6.021 -20.543 -4.130) 21.802 7.457 ( -2.662 -1.659 -3.835) 4.954 7.576 ( 0.879 -14.997 -1.856) 15.137 7.989 ( -4.029 3.263 -0.914) 5.265 8.582 ( -2.735 -8.307 -2.881) 9.208 9.403 ( -9.501 5.148 0.495) 10.818 9.765 ( 1.908 11.906 5.301) 13.172 10.075 ( -4.602 -1.551 -3.386) 5.920 10.295 ( -15.757 -3.519 1.737) 16.238 11.025 ( -1.792 -13.727 -8.320) 16.152 11.132 ( -1.928 16.496 -0.598) 16.619 11.748 ( -2.251 -7.708 0.555) 8.049 12.110 ( 16.353 1.216 1.054) 16.432 12.465 ( 8.762 11.421 1.208) 14.446 12.996 ( 5.572 11.596 -1.953) 13.012 13.775 ( 11.750 0.038 -0.949) 11.788 13.907 ( -9.161 3.859 1.218) 10.015 14.351 ( -5.408 -0.783 1.054) 5.565 14.569 ( -2.131 3.254 -4.481) 5.934 15.080 ( -3.153 -3.137 -4.026) 6.000 15.521 ( -7.372 -4.874 -0.049) 8.838 15.818 ( -6.244 3.290 1.004) 7.129 15.910 ( -3.036 6.759 1.496) 7.559 16.184 ( -3.742 0.862 0.866) 3.937 16.933 ( 11.865 -0.816 -0.282) 11.896 16.950 ( 10.976 -2.331 -1.765) 11.359 17.464 ( -1.327 -6.160 -0.950) 6.372 17.824 ( -3.171 6.163 2.549) 7.384 17.978 ( -0.584 -7.006 4.408) 8.298 18.170 ( 2.270 -3.819 0.156) 4.445 18.629 ( 4.011 -1.129 -4.431) 6.083 18.969 ( 0.884 2.756 5.404) 6.131 19.399 ( 1.384 -7.099 1.215) 7.334 19.813 ( 11.935 9.390 1.992) 15.316 ======================= Grid point 102 (81/148) ======================= q-point: ( 0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -0.000 33.591 0.000) 33.591 1.325 ( -0.000 33.058 0.000) 33.058 2.706 ( -0.000 63.198 0.000) 63.198 3.905 ( 0.000 -3.490 -0.000) 3.490 4.391 ( 0.000 -15.508 -0.000) 15.508 5.316 ( 0.000 -13.431 -0.000) 13.431 6.314 ( 0.000 -19.874 -0.000) 19.874 6.735 ( 0.000 -1.802 -0.000) 1.802 6.878 ( -0.000 11.988 0.000) 11.988 7.490 ( -0.000 4.436 0.000) 4.436 7.515 ( 0.000 -10.370 -0.000) 10.370 7.776 ( -0.000 33.404 0.000) 33.404 8.283 ( 0.000 -2.256 -0.000) 2.256 8.991 ( -0.000 6.209 0.000) 6.209 9.315 ( -0.000 18.966 0.000) 18.966 9.686 ( -0.000 1.397 0.000) 1.397 10.223 ( 0.000 -8.224 -0.000) 8.224 10.368 ( -0.000 16.677 0.000) 16.677 11.412 ( 0.000 -14.288 -0.000) 14.288 11.839 ( 0.000 -6.364 -0.000) 6.364 12.702 ( 0.000 -12.694 -0.000) 12.694 12.920 ( 0.000 -8.388 -0.000) 8.388 13.603 ( -0.000 4.547 0.000) 4.547 13.727 ( 0.000 -5.226 -0.000) 5.226 13.864 ( 0.000 -1.340 -0.000) 1.340 14.055 ( 0.000 -11.552 -0.000) 11.552 14.568 ( 0.000 -0.339 -0.000) 0.339 14.794 ( 0.000 -2.226 -0.000) 2.226 15.247 ( -0.000 1.639 0.000) 1.639 15.706 ( 0.000 -1.867 -0.000) 1.867 16.010 ( 0.000 -6.353 -0.000) 6.353 16.061 ( -0.000 7.224 0.000) 7.224 17.059 ( -0.000 10.340 0.000) 10.340 17.294 ( -0.000 2.596 0.000) 2.596 17.498 ( 0.000 -3.351 -0.000) 3.351 17.626 ( 0.000 -2.976 -0.000) 2.976 18.213 ( -0.000 3.716 0.000) 3.716 18.214 ( -0.000 7.686 0.000) 7.686 18.479 ( 0.000 -5.616 -0.000) 5.616 19.127 ( -0.000 0.377 0.000) 0.377 19.308 ( -0.000 7.965 0.000) 7.965 20.427 ( 0.000 -7.999 -0.000) 7.999 ======================= Grid point 103 (82/148) ======================= q-point: (-0.37 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.000 -10.367 -25.124) 27.179 2.183 ( 0.000 -13.100 -31.142) 33.785 3.650 ( 0.000 -12.581 -10.643) 16.479 3.883 ( 0.000 1.285 -9.930) 10.013 4.334 ( -0.000 23.198 7.639) 24.424 4.786 ( -0.000 3.050 8.930) 9.436 5.979 ( 0.000 -19.200 13.446) 23.440 6.701 ( -0.000 6.666 -7.142) 9.770 7.032 ( 0.000 -3.935 5.721) 6.944 7.474 ( 0.000 -13.908 -2.974) 14.222 7.550 ( -0.000 7.363 -7.543) 10.541 7.783 ( 0.000 -10.861 -10.526) 15.124 8.356 ( -0.000 -2.988 5.604) 6.351 8.913 ( -0.000 8.607 12.330) 15.037 9.623 ( 0.000 -1.695 -8.191) 8.364 9.920 ( 0.000 -10.266 -1.093) 10.324 10.279 ( -0.000 7.624 -4.984) 9.108 10.905 ( 0.000 -12.890 -15.045) 19.812 11.372 ( 0.000 -7.396 -2.589) 7.836 11.883 ( -0.000 32.064 -1.408) 32.095 12.547 ( -0.000 16.133 4.624) 16.782 12.873 ( -0.000 1.593 3.525) 3.869 13.515 ( -0.000 1.925 4.008) 4.446 13.545 ( -0.000 3.848 9.825) 10.552 14.125 ( -0.000 3.410 -0.878) 3.521 14.351 ( 0.000 4.679 -7.822) 9.115 14.370 ( 0.000 -2.269 2.389) 3.295 14.979 ( 0.000 -0.799 -2.170) 2.312 15.239 ( 0.000 -2.838 0.185) 2.844 15.877 ( -0.000 5.893 -3.080) 6.649 15.990 ( -0.000 7.457 0.609) 7.482 16.172 ( -0.000 4.238 -5.256) 6.752 17.035 ( 0.000 -10.658 0.556) 10.673 17.182 ( 0.000 -6.697 9.676) 11.768 17.454 ( 0.000 -4.083 -0.572) 4.123 17.584 ( -0.000 1.574 1.141) 1.944 17.854 ( 0.000 -1.515 -3.380) 3.704 18.175 ( 0.000 -2.190 0.601) 2.271 18.663 ( -0.000 -4.380 7.893) 9.027 18.816 ( 0.000 -5.329 0.089) 5.330 19.235 ( 0.000 -11.407 -1.024) 11.453 20.249 ( -0.000 11.670 8.842) 14.641 ======================= Grid point 104 (83/148) ======================= q-point: (-0.37 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 4.971 -1.949 -28.804) 29.295 2.124 ( 12.562 -11.275 -26.968) 31.815 3.257 ( 7.524 -13.513 -26.492) 30.676 4.149 ( -3.524 12.948 -9.244) 16.295 4.836 ( 6.955 14.258 -1.837) 15.970 5.050 ( 21.238 0.355 16.448) 26.865 5.446 ( -3.910 -22.076 18.118) 28.826 6.516 ( -10.710 -15.612 -7.529) 20.374 6.864 ( -5.192 6.054 -5.808) 9.866 7.206 ( -14.120 -0.382 0.555) 14.136 7.377 ( -11.489 -7.527 4.058) 14.322 8.048 ( 22.663 6.548 -13.260) 27.061 8.690 ( 25.037 6.041 1.997) 25.833 9.123 ( 2.867 5.122 14.099) 15.271 9.625 ( 2.542 -6.224 5.915) 8.955 9.928 ( 18.780 -1.491 -12.215) 22.453 10.326 ( -5.247 1.153 -2.431) 5.897 10.615 ( -6.405 -7.249 -13.203) 16.367 11.352 ( 6.925 -3.778 -7.386) 10.807 12.311 ( -11.093 18.610 -0.676) 21.676 12.615 ( -14.029 1.559 0.443) 14.123 12.917 ( -2.483 4.944 1.484) 5.728 13.399 ( -6.788 4.411 5.480) 9.776 13.820 ( 9.563 7.058 8.134) 14.402 14.034 ( -12.031 2.573 6.204) 13.779 14.321 ( -0.516 1.108 1.926) 2.281 14.570 ( 12.560 -5.238 -0.310) 13.612 14.993 ( -0.237 2.106 -3.951) 4.483 15.297 ( 8.441 -0.253 0.985) 8.502 16.020 ( 1.125 6.950 -5.675) 9.043 16.089 ( 0.808 1.541 -0.242) 1.757 16.268 ( -0.249 4.776 -5.248) 7.100 16.838 ( -2.958 -6.571 1.699) 7.404 16.927 ( -4.628 -9.045 4.397) 11.071 17.288 ( -2.352 -7.040 -2.419) 7.807 17.568 ( -2.475 -0.730 2.044) 3.292 17.974 ( 1.855 5.474 1.361) 5.938 18.110 ( -0.309 -1.272 -2.835) 3.123 18.562 ( 1.014 -7.099 10.569) 12.772 18.710 ( -0.982 -3.200 -2.648) 4.268 19.074 ( 2.578 -4.867 2.145) 5.911 20.385 ( -7.241 8.618 9.809) 14.931 ======================= Grid point 105 (84/148) ======================= q-point: ( 0.13 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 25.495 35.596 -0.000) 43.784 2.099 ( 8.538 31.755 -0.000) 32.883 3.752 ( -2.532 1.091 0.000) 2.757 4.010 ( 0.759 -21.825 -0.000) 21.838 4.043 ( 2.728 53.251 0.000) 53.321 5.327 ( 27.443 -13.416 -0.000) 30.547 5.818 ( 0.617 -29.705 -0.000) 29.712 6.634 ( -2.471 0.771 0.000) 2.588 7.100 ( 8.760 -4.603 -0.000) 9.896 7.315 ( -3.552 7.230 0.000) 8.055 7.609 ( -1.398 -0.702 0.000) 1.565 8.029 ( -12.030 -4.395 0.000) 12.808 8.559 ( -6.124 43.237 0.000) 43.669 9.286 ( 14.166 1.361 -0.000) 14.231 9.739 ( 4.585 0.841 -0.000) 4.662 9.839 ( 8.966 6.809 -0.000) 11.258 10.167 ( 6.742 2.343 -0.000) 7.138 10.779 ( 0.715 21.504 0.000) 21.515 10.885 ( 4.837 -31.349 -0.000) 31.720 11.908 ( -2.795 11.424 0.000) 11.761 12.456 ( 4.904 -17.543 -0.000) 18.216 12.557 ( -13.097 -10.018 0.000) 16.489 13.178 ( -22.046 -6.958 0.000) 23.118 13.709 ( 8.411 -5.628 -0.000) 10.120 13.794 ( -2.170 -8.402 0.000) 8.677 14.334 ( 11.147 8.084 -0.000) 13.769 14.509 ( -0.038 2.103 0.000) 2.103 14.816 ( 0.612 2.360 -0.000) 2.438 15.377 ( 5.174 5.712 -0.000) 7.707 15.703 ( 4.682 -3.076 -0.000) 5.603 15.859 ( 3.522 -10.521 -0.000) 11.095 16.191 ( 1.270 3.819 -0.000) 4.024 17.097 ( -9.035 -0.157 0.000) 9.037 17.223 ( -14.338 1.282 0.000) 14.396 17.381 ( 3.910 4.564 -0.000) 6.010 17.733 ( 7.564 -4.571 -0.000) 8.838 18.243 ( -2.192 1.448 0.000) 2.627 18.307 ( -0.734 1.526 0.000) 1.693 18.428 ( -1.336 1.475 0.000) 1.990 19.111 ( -1.112 -2.418 0.000) 2.661 19.445 ( -0.301 5.912 0.000) 5.919 20.123 ( -10.026 -9.105 0.000) 13.544 ======================= Grid point 106 (85/148) ======================= q-point: ( 0.13 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 7.972 27.993 -0.000) 29.106 3.133 ( 16.627 34.850 -0.000) 38.613 3.567 ( -6.789 -4.299 0.000) 8.035 3.599 ( 1.931 -19.678 -0.000) 19.773 5.147 ( -0.108 -36.052 -0.000) 36.052 5.182 ( 1.113 47.372 0.000) 47.385 5.894 ( 46.697 -9.708 -0.000) 47.696 6.560 ( -2.327 -9.006 0.000) 9.301 7.162 ( 14.713 -7.360 -0.000) 16.451 7.454 ( 0.665 -7.376 -0.000) 7.406 7.530 ( -14.604 12.039 0.000) 18.926 7.801 ( 0.474 7.751 0.000) 7.766 9.025 ( -2.256 4.519 0.000) 5.051 9.470 ( -8.970 -17.952 0.000) 20.068 9.587 ( -3.612 26.026 0.000) 26.275 10.051 ( 13.036 -16.012 -0.000) 20.648 10.449 ( 7.248 5.188 -0.000) 8.913 10.927 ( 27.859 6.147 -0.000) 28.529 11.118 ( -12.402 14.792 0.000) 19.303 12.126 ( -14.952 4.135 0.000) 15.513 12.132 ( -2.115 12.532 0.000) 12.710 12.203 ( 6.040 -14.897 -0.000) 16.075 12.573 ( -13.425 -13.655 0.000) 19.149 13.550 ( -9.584 -5.430 0.000) 11.015 13.851 ( 13.010 -3.007 -0.000) 13.353 14.236 ( -6.213 -3.271 0.000) 7.021 14.857 ( -1.577 1.329 0.000) 2.062 14.969 ( 7.862 15.231 -0.000) 17.140 15.643 ( 5.465 5.231 -0.000) 7.565 15.765 ( 6.718 -9.196 -0.000) 11.389 15.830 ( 10.973 2.295 -0.000) 11.210 16.277 ( 0.923 2.749 -0.000) 2.900 16.816 ( -9.541 -5.283 0.000) 10.906 16.966 ( -12.796 1.537 0.000) 12.888 17.546 ( 3.164 3.328 -0.000) 4.592 17.718 ( 2.378 -7.060 -0.000) 7.450 18.251 ( -1.301 -4.430 0.000) 4.617 18.252 ( 0.586 3.834 -0.000) 3.878 18.416 ( -2.336 0.114 0.000) 2.339 18.918 ( -8.176 -7.480 0.000) 11.082 19.536 ( -1.033 4.213 0.000) 4.338 19.734 ( -8.726 -7.246 0.000) 11.343 ======================= Grid point 107 (86/148) ======================= q-point: (-0.37 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 6.636 0.000 -22.537) 23.494 2.139 ( 7.206 0.000 -22.885) 23.993 3.495 ( 19.104 0.000 -20.374) 27.930 4.180 ( -5.089 0.000 -8.328) 9.759 4.997 ( -5.851 -0.000 7.250) 9.317 5.135 ( 2.769 -0.000 2.879) 3.995 5.375 ( -4.251 0.000 0.228) 4.257 6.424 ( 27.379 -0.000 5.649) 27.956 6.680 ( -21.893 0.000 -2.076) 21.991 6.944 ( 3.367 -0.000 -2.165) 4.003 7.300 ( 3.917 -0.000 6.587) 7.664 8.532 ( 13.302 0.000 -16.355) 21.081 9.234 ( 5.085 -0.000 15.433) 16.249 9.428 ( 31.738 -0.000 2.219) 31.816 9.562 ( 0.533 -0.000 11.553) 11.566 10.106 ( -13.998 0.000 -2.885) 14.293 10.377 ( -6.832 0.000 -7.658) 10.262 10.521 ( 32.997 -0.000 -14.051) 35.864 11.444 ( 4.675 0.000 -6.741) 8.203 11.948 ( -35.274 0.000 0.637) 35.279 12.367 ( -11.975 0.000 -6.041) 13.412 12.880 ( -3.436 0.000 2.522) 4.262 13.448 ( 2.565 -0.000 4.594) 5.262 13.694 ( -20.480 0.000 8.071) 22.013 14.168 ( 14.417 -0.000 8.264) 16.617 14.318 ( -2.653 -0.000 2.405) 3.581 14.721 ( 8.640 -0.000 3.381) 9.279 15.006 ( -0.717 0.000 -3.105) 3.187 15.530 ( 11.955 -0.000 1.575) 12.059 16.115 ( 1.065 -0.000 -0.228) 1.090 16.154 ( 2.491 0.000 -6.920) 7.355 16.318 ( -1.951 0.000 0.478) 2.009 16.550 ( -8.633 0.000 -4.472) 9.723 16.881 ( 3.049 -0.000 -0.434) 3.080 17.123 ( -4.526 0.000 -2.341) 5.096 17.522 ( -0.551 -0.000 2.493) 2.554 17.868 ( -9.721 0.000 1.720) 9.872 18.262 ( 4.863 -0.000 -0.953) 4.955 18.452 ( 0.170 -0.000 5.555) 5.557 18.660 ( -1.152 0.000 -0.334) 1.199 19.151 ( 7.656 -0.000 2.490) 8.051 20.285 ( -10.276 0.000 7.037) 12.455 ======================= Grid point 109 (87/148) ======================= q-point: ( 0.13 -0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -3.464 -9.794 0.000) 10.388 3.248 ( -12.542 -6.105 0.000) 13.949 3.597 ( 2.265 17.819 -0.000) 17.963 4.029 ( 5.182 27.870 -0.000) 28.348 4.400 ( -0.132 -34.422 -0.000) 34.423 5.918 ( 0.219 15.158 0.000) 15.159 6.255 ( 1.246 -4.064 -0.000) 4.251 6.665 ( 39.471 -14.761 -0.000) 42.141 7.098 ( -2.674 -22.060 0.000) 22.221 7.389 ( -17.120 11.635 0.000) 20.700 7.430 ( 12.900 4.439 -0.000) 13.642 8.301 ( 4.613 21.950 -0.000) 22.430 8.738 ( -13.682 -25.360 0.000) 28.816 9.030 ( 20.527 -11.005 -0.000) 23.291 10.026 ( 8.172 0.159 -0.000) 8.173 10.105 ( -4.060 21.033 0.000) 21.421 10.495 ( -16.835 -1.071 0.000) 16.869 10.873 ( -13.134 5.998 0.000) 14.438 11.666 ( 9.948 7.120 -0.000) 12.233 11.949 ( -13.776 -4.463 0.000) 14.481 12.068 ( 21.760 -8.408 -0.000) 23.328 12.315 ( -1.454 6.116 0.000) 6.287 12.483 ( 3.688 14.703 -0.000) 15.158 13.145 ( -18.665 -1.712 0.000) 18.744 14.098 ( 13.196 -1.267 -0.000) 13.257 14.114 ( -1.121 -0.507 0.000) 1.230 14.767 ( -5.521 -3.009 0.000) 6.288 15.282 ( -0.587 6.705 0.000) 6.730 15.747 ( 4.792 -5.228 -0.000) 7.092 15.819 ( 5.095 3.807 -0.000) 6.360 16.137 ( 6.745 3.629 -0.000) 7.660 16.354 ( 0.169 3.249 0.000) 3.253 16.583 ( -4.275 -1.537 0.000) 4.543 16.769 ( -8.999 2.942 0.000) 9.468 17.546 ( -2.209 -10.244 0.000) 10.479 17.647 ( 4.770 -1.234 -0.000) 4.927 18.086 ( -0.435 -9.753 -0.000) 9.763 18.339 ( -1.560 -1.892 0.000) 2.452 18.517 ( 8.691 12.445 -0.000) 15.179 18.573 ( -9.467 -3.227 0.000) 10.001 19.479 ( -2.659 -7.306 0.000) 7.775 19.564 ( -2.241 1.905 0.000) 2.941 ======================= Grid point 110 (88/148) ======================= q-point: ( 0.13 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -20.507 -9.934 0.000) 22.786 2.764 ( -14.857 -16.081 0.000) 21.893 3.609 ( -3.054 -16.971 0.000) 17.243 4.080 ( -5.505 10.096 0.000) 11.499 4.520 ( -1.868 18.425 0.000) 18.520 5.781 ( 13.460 -21.785 -0.000) 25.608 6.556 ( -3.552 -22.809 0.000) 23.084 6.615 ( 2.689 13.624 -0.000) 13.887 6.825 ( 8.312 -8.977 -0.000) 12.234 7.095 ( -21.525 -6.729 0.000) 22.553 7.925 ( 18.371 8.124 -0.000) 20.088 7.984 ( -7.517 -12.572 0.000) 14.647 8.770 ( -17.675 24.700 0.000) 30.372 9.509 ( 36.808 -7.156 -0.000) 37.497 9.982 ( -19.469 1.589 0.000) 19.533 10.265 ( 9.869 5.215 -0.000) 11.163 10.359 ( -6.353 15.127 0.000) 16.407 10.786 ( -2.411 -6.375 0.000) 6.816 11.525 ( -11.769 -5.989 0.000) 13.205 11.628 ( -5.461 -5.370 0.000) 7.659 12.114 ( -24.781 2.595 0.000) 24.916 12.740 ( 33.506 1.464 -0.000) 33.538 12.869 ( 6.552 11.763 -0.000) 13.465 13.006 ( -2.357 9.547 0.000) 9.833 14.172 ( 0.265 7.343 0.000) 7.347 14.297 ( 9.606 -3.927 -0.000) 10.378 14.553 ( -7.434 -1.752 0.000) 7.638 15.254 ( -3.563 -2.346 0.000) 4.266 15.737 ( -0.909 0.169 0.000) 0.924 16.005 ( 2.351 5.174 -0.000) 5.683 16.225 ( 0.788 -1.100 -0.000) 1.353 16.344 ( -6.948 1.290 0.000) 7.067 16.531 ( 0.060 -1.594 -0.000) 1.595 16.772 ( -0.351 6.886 0.000) 6.895 17.258 ( -2.745 -10.303 0.000) 10.662 17.718 ( 5.751 -2.471 -0.000) 6.259 17.856 ( 1.777 -13.240 -0.000) 13.359 18.296 ( 0.729 -0.953 -0.000) 1.200 18.487 ( -2.209 5.952 0.000) 6.349 19.064 ( 12.893 15.389 -0.000) 20.077 19.287 ( -0.006 -9.179 -0.000) 9.179 19.525 ( -2.439 -0.573 0.000) 2.505 ======================= Grid point 111 (89/148) ======================= q-point: (-0.37 -0.12 0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -0.000 11.825 0.000) 11.825 3.121 ( -0.000 35.486 0.000) 35.486 3.570 ( -0.000 -7.817 0.000) 7.817 3.736 ( -0.000 -10.084 0.000) 10.084 4.724 ( -0.000 -21.878 0.000) 21.878 5.534 ( -0.000 20.483 0.000) 20.483 5.869 ( -0.000 19.749 0.000) 19.749 6.691 ( 0.000 -3.099 0.000) 3.099 6.717 ( -0.000 22.706 -0.000) 22.706 7.056 ( -0.000 -3.230 0.000) 3.230 8.281 ( 0.000 -8.129 0.000) 8.129 8.333 ( -0.000 -2.744 -0.000) 2.744 9.171 ( -0.000 -18.328 0.000) 18.328 9.392 ( -0.000 7.031 0.000) 7.031 9.710 ( -0.000 8.937 0.000) 8.937 10.268 ( 0.000 -7.241 0.000) 7.241 10.336 ( -0.000 -10.996 -0.000) 10.996 10.672 ( -0.000 2.237 0.000) 2.237 11.393 ( -0.000 6.082 0.000) 6.082 11.917 ( -0.000 4.360 0.000) 4.360 12.088 ( 0.000 0.729 -0.000) 0.729 12.580 ( 0.000 -12.512 0.000) 12.512 12.832 ( -0.000 -0.248 0.000) 0.248 13.278 ( -0.000 -10.528 -0.000) 10.528 14.061 ( -0.000 -0.873 0.000) 0.873 14.568 ( -0.000 -0.214 0.000) 0.214 14.891 ( -0.000 -5.147 0.000) 5.147 15.121 ( -0.000 3.620 -0.000) 3.620 15.713 ( -0.000 -3.342 0.000) 3.342 15.979 ( -0.000 -0.146 0.000) 0.146 16.093 ( -0.000 -6.389 0.000) 6.389 16.320 ( -0.000 2.239 0.000) 2.239 16.533 ( -0.000 3.306 0.000) 3.306 16.789 ( -0.000 -6.053 0.000) 6.053 17.252 ( -0.000 10.125 0.000) 10.125 17.790 ( 0.000 8.885 -0.000) 8.885 17.816 ( -0.000 9.660 0.000) 9.660 18.029 ( -0.000 -4.641 0.000) 4.641 18.584 ( -0.000 -1.732 0.000) 1.732 18.862 ( -0.000 7.761 -0.000) 7.761 19.448 ( -0.000 1.173 0.000) 1.173 19.576 ( 0.000 -14.913 0.000) 14.913 ======================= Grid point 113 (90/148) ======================= q-point: ( 0.63 -0.12 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -7.840 19.212 4.473) 21.227 3.340 ( -12.503 9.235 9.993) 18.479 3.440 ( -2.251 -13.065 0.313) 13.261 3.974 ( 3.474 5.745 0.019) 6.714 4.325 ( 1.977 4.278 -3.097) 5.639 5.702 ( 4.217 -28.203 0.380) 28.519 5.951 ( -1.043 15.860 0.932) 15.921 6.523 ( -14.423 -7.984 -4.535) 17.097 7.259 ( 4.970 22.789 6.174) 24.128 7.402 ( 0.648 25.038 -6.685) 25.923 7.783 ( -17.788 5.193 0.844) 18.550 8.196 ( -5.477 -15.090 3.912) 16.523 8.785 ( -9.457 -2.160 0.460) 9.712 9.467 ( -0.159 -7.180 -4.301) 8.371 9.697 ( -4.222 -3.241 1.337) 5.488 10.153 ( -1.095 0.048 -0.832) 1.377 10.430 ( 7.937 -2.594 1.100) 8.422 10.759 ( 19.093 -9.045 -0.164) 21.128 11.496 ( -14.266 11.543 5.615) 19.191 11.844 ( -3.374 -2.655 1.401) 4.516 12.014 ( -7.011 9.282 4.918) 12.629 12.260 ( 4.066 -15.240 -4.375) 16.368 12.913 ( 2.293 -11.347 -4.342) 12.364 13.352 ( 21.499 1.125 -2.588) 21.684 14.077 ( -6.013 4.195 0.611) 7.357 14.459 ( -7.895 1.451 -6.151) 10.113 14.735 ( -2.362 -9.171 6.791) 11.653 15.133 ( 2.931 -1.274 1.462) 3.514 15.655 ( -4.467 3.012 0.526) 5.413 15.903 ( -3.876 -5.844 -1.619) 7.197 15.980 ( -5.869 1.233 0.185) 6.000 16.286 ( -4.138 -1.436 1.265) 4.560 16.687 ( 9.687 0.844 -0.103) 9.724 16.779 ( 7.720 -0.735 -0.033) 7.755 17.486 ( 0.647 9.456 0.934) 9.524 17.799 ( -2.275 -4.219 -4.173) 6.355 17.973 ( -1.083 8.365 1.183) 8.518 18.131 ( 2.828 5.145 1.420) 6.041 18.605 ( 3.336 1.525 0.870) 3.770 18.857 ( -0.548 -5.958 -4.310) 7.375 19.365 ( 0.142 3.797 0.167) 3.803 19.569 ( 8.220 -5.972 -0.523) 10.174 ======================= Grid point 114 (91/148) ======================= q-point: ( 0.13 -0.12 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -21.453 -24.050 0.000) 32.228 2.021 ( -27.033 -9.504 0.000) 28.655 3.097 ( -23.401 -8.422 0.000) 24.871 4.166 ( -7.301 9.992 0.000) 12.375 4.748 ( -3.144 9.435 0.000) 9.945 5.817 ( 24.229 -12.378 -0.000) 27.208 6.114 ( -0.629 -14.012 -0.000) 14.026 6.403 ( -13.274 -15.506 0.000) 20.411 6.653 ( 8.373 -9.655 -0.000) 12.780 7.020 ( -0.237 11.366 0.000) 11.369 7.699 ( -23.133 6.662 0.000) 24.073 8.439 ( 15.288 6.628 -0.000) 16.663 8.563 ( -27.887 10.087 0.000) 29.655 9.904 ( -0.028 6.815 0.000) 6.815 9.966 ( 6.419 0.570 -0.000) 6.445 10.386 ( -21.072 -9.361 0.000) 23.057 10.404 ( -2.854 7.078 0.000) 7.631 10.654 ( -6.955 2.325 0.000) 7.333 11.173 ( 17.163 -10.679 -0.000) 20.214 11.413 ( -4.302 -4.137 0.000) 5.968 11.871 ( -3.416 5.439 0.000) 6.423 13.176 ( -0.319 7.124 0.000) 7.131 13.199 ( 6.778 6.507 -0.000) 9.396 13.404 ( 26.994 0.433 -0.000) 26.997 14.342 ( 2.659 -2.487 -0.000) 3.641 14.436 ( 0.380 18.101 0.000) 18.105 14.468 ( -1.149 1.098 0.000) 1.589 15.124 ( -0.754 -5.028 0.000) 5.085 15.711 ( -7.287 5.080 0.000) 8.883 16.081 ( -4.366 4.400 0.000) 6.199 16.137 ( -10.508 -2.053 0.000) 10.707 16.168 ( -1.619 -2.332 0.000) 2.839 16.481 ( 4.166 -8.781 -0.000) 9.719 16.897 ( -1.037 3.465 0.000) 3.617 17.072 ( 1.024 -6.548 -0.000) 6.628 17.714 ( 8.563 -8.384 -0.000) 11.984 17.775 ( 4.089 -2.607 -0.000) 4.849 18.338 ( 2.382 1.960 -0.000) 3.085 18.648 ( 0.264 10.321 0.000) 10.325 19.098 ( 0.771 -10.428 -0.000) 10.457 19.388 ( -6.978 2.627 0.000) 7.457 19.612 ( 14.165 2.517 -0.000) 14.386 ======================= Grid point 115 (92/148) ======================= q-point: ( 0.13 -0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -26.871 0.000 0.000) 26.871 1.293 ( -30.291 0.000 0.000) 30.291 2.269 ( -44.432 0.000 0.000) 44.432 4.131 ( -5.918 0.000 0.000) 5.918 4.772 ( -3.303 0.000 0.000) 3.303 5.998 ( 3.787 -0.000 -0.000) 3.787 6.077 ( -6.220 0.000 0.000) 6.220 6.296 ( 31.363 -0.000 -0.000) 31.363 6.708 ( 3.541 -0.000 -0.000) 3.541 7.198 ( -25.776 0.000 0.000) 25.776 7.222 ( 11.460 -0.000 -0.000) 11.460 8.180 ( -19.163 0.000 0.000) 19.163 8.749 ( 3.174 -0.000 -0.000) 3.174 9.675 ( -32.170 0.000 0.000) 32.170 9.888 ( -36.256 0.000 0.000) 36.256 9.934 ( -4.430 0.000 0.000) 4.430 10.102 ( 6.661 -0.000 -0.000) 6.661 10.597 ( 0.535 -0.000 -0.000) 0.535 11.349 ( 0.883 -0.000 -0.000) 0.883 11.857 ( 40.481 -0.000 -0.000) 40.481 11.994 ( 6.644 -0.000 -0.000) 6.644 13.237 ( -1.444 0.000 0.000) 1.444 13.393 ( 5.141 -0.000 -0.000) 5.141 13.901 ( 19.521 -0.000 -0.000) 19.521 14.313 ( -4.435 0.000 0.000) 4.435 14.497 ( 2.383 -0.000 -0.000) 2.383 14.816 ( 2.715 -0.000 -0.000) 2.715 15.051 ( 4.055 -0.000 -0.000) 4.055 15.572 ( -11.635 0.000 0.000) 11.635 15.904 ( -8.006 0.000 0.000) 8.006 16.033 ( -9.219 0.000 0.000) 9.219 16.107 ( -1.230 0.000 0.000) 1.230 16.342 ( 2.504 -0.000 -0.000) 2.504 16.870 ( -2.978 0.000 0.000) 2.978 17.033 ( 2.982 -0.000 -0.000) 2.982 17.799 ( 1.874 -0.000 -0.000) 1.874 17.871 ( 11.294 -0.000 -0.000) 11.294 18.455 ( 3.928 -0.000 -0.000) 3.928 18.854 ( 0.012 -0.000 -0.000) 0.012 18.914 ( 0.624 -0.000 -0.000) 0.624 19.250 ( -6.181 0.000 0.000) 6.181 19.845 ( 7.310 -0.000 -0.000) 7.310 ======================= Grid point 116 (93/148) ======================= q-point: (-0.37 -0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -6.342 -0.000 -0.000) 6.342 3.007 ( -7.439 0.000 0.000) 7.439 3.264 ( -15.471 -0.000 -0.000) 15.471 3.605 ( -7.046 0.000 0.000) 7.046 5.068 ( 6.040 -0.000 0.000) 6.040 5.180 ( 8.358 0.000 -0.000) 8.358 5.727 ( -36.627 0.000 0.000) 36.627 6.275 ( 4.751 0.000 0.000) 4.751 7.452 ( -4.491 -0.000 0.000) 4.491 7.685 ( -7.763 0.000 -0.000) 7.763 7.780 ( -7.338 -0.000 0.000) 7.338 7.798 ( 8.880 0.000 -0.000) 8.880 9.029 ( -0.126 -0.000 0.000) 0.126 9.164 ( 7.719 0.000 0.000) 7.719 9.466 ( -12.481 -0.000 0.000) 12.481 10.129 ( 0.179 0.000 0.000) 0.179 10.318 ( -15.341 0.000 0.000) 15.341 10.922 ( 1.165 0.000 0.000) 1.165 11.420 ( 0.460 0.000 0.000) 0.460 11.713 ( -4.258 -0.000 0.000) 4.258 12.068 ( -5.724 0.000 0.000) 5.724 12.357 ( 20.988 0.000 0.000) 20.988 12.881 ( 10.423 0.000 0.000) 10.423 13.767 ( 11.226 0.000 0.000) 11.226 13.878 ( -12.040 0.000 0.000) 12.040 14.358 ( -5.424 0.000 0.000) 5.424 14.573 ( -0.589 -0.000 0.000) 0.589 15.164 ( -1.904 0.000 0.000) 1.904 15.647 ( -6.170 -0.000 0.000) 6.170 15.697 ( -3.323 -0.000 0.000) 3.323 15.819 ( -6.999 0.000 0.000) 6.999 16.153 ( -4.617 0.000 0.000) 4.617 16.941 ( 12.514 0.000 0.000) 12.514 17.001 ( 11.136 0.000 0.000) 11.136 17.577 ( -2.989 0.000 0.000) 2.989 17.685 ( -2.386 -0.000 0.000) 2.386 18.024 ( -1.618 0.000 0.000) 1.618 18.210 ( 0.433 0.000 0.000) 0.433 18.721 ( 3.004 0.000 0.000) 3.004 18.845 ( 5.066 0.000 0.000) 5.066 19.532 ( 4.795 0.000 0.000) 4.795 19.614 ( 7.434 -0.000 0.000) 7.434 ======================= Grid point 121 (94/148) ======================= q-point: (-0.52 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 0.000 -13.217 -17.396) 21.848 3.016 ( 0.000 -9.880 -28.415) 30.084 3.298 ( -0.000 29.324 -1.981) 29.390 3.612 ( -0.000 26.539 10.092) 28.393 4.596 ( 0.000 -32.889 -1.715) 32.934 4.649 ( -0.000 -1.291 2.958) 3.227 5.983 ( -0.000 17.149 -0.675) 17.163 6.567 ( -0.000 3.261 0.316) 3.276 6.898 ( -0.000 -4.429 14.070) 14.751 7.500 ( -0.000 8.467 -2.235) 8.757 7.648 ( 0.000 -2.507 0.234) 2.518 8.404 ( 0.000 -17.028 12.129) 20.907 8.519 ( 0.000 -6.101 -11.584) 13.092 8.723 ( 0.000 -19.183 -13.148) 23.257 9.760 ( 0.000 1.244 -5.015) 5.167 10.069 ( 0.000 -4.256 2.043) 4.721 10.135 ( -0.000 14.763 -2.401) 14.957 11.091 ( -0.000 29.914 8.530) 31.107 11.444 ( 0.000 -13.351 -10.425) 16.939 11.699 ( 0.000 -4.130 -11.880) 12.578 12.039 ( -0.000 20.291 7.064) 21.486 12.708 ( -0.000 4.556 6.544) 7.974 13.346 ( -0.000 -7.703 14.132) 16.095 13.449 ( 0.000 -1.035 1.539) 1.855 14.032 ( -0.000 2.228 3.557) 4.198 14.404 ( -0.000 10.200 -10.105) 14.358 14.409 ( 0.000 -1.596 -1.703) 2.334 15.029 ( 0.000 -1.473 0.105) 1.477 15.340 ( 0.000 -6.973 -0.621) 7.001 15.765 ( -0.000 11.830 1.129) 11.883 15.771 ( -0.000 5.859 1.733) 6.110 16.190 ( 0.000 4.293 -6.639) 7.906 17.122 ( 0.000 -5.896 8.875) 10.655 17.258 ( 0.000 -11.148 0.214) 11.150 17.478 ( -0.000 0.763 -0.276) 0.811 17.540 ( -0.000 2.001 0.428) 2.047 17.994 ( 0.000 -4.194 -4.043) 5.825 18.203 ( 0.000 -0.849 -0.621) 1.052 18.637 ( 0.000 -6.684 7.220) 9.839 18.928 ( 0.000 -4.238 -1.871) 4.633 19.566 ( 0.000 -13.025 -5.247) 14.042 19.870 ( -0.000 8.774 7.174) 11.334 ======================= Grid point 122 (95/148) ======================= q-point: (-0.52 -0.15 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 4.821 -6.221 -23.419) 24.707 2.900 ( 8.912 -10.869 -27.266) 30.676 3.808 ( -2.167 6.636 -7.878) 10.526 4.001 ( -4.057 -0.348 -4.588) 6.134 4.334 ( 16.412 21.181 9.159) 28.318 4.874 ( 18.383 0.674 4.066) 18.839 5.711 ( -3.947 -26.245 7.437) 27.563 6.759 ( -5.002 11.514 -0.868) 12.583 6.903 ( 3.228 -4.350 1.559) 5.636 7.271 ( -13.570 -6.639 -0.472) 15.114 7.750 ( -16.568 -21.350 -16.777) 31.809 8.036 ( 18.438 11.949 -5.416) 22.629 8.425 ( 5.270 10.784 12.376) 17.240 8.919 ( 20.371 -6.998 -1.661) 21.603 9.617 ( -8.398 -8.504 10.666) 16.019 10.114 ( 12.747 2.872 -8.474) 15.574 10.347 ( 7.377 -2.556 1.893) 8.033 11.072 ( -7.067 -8.798 -13.212) 17.375 11.635 ( 6.254 -5.319 -9.876) 12.843 11.795 ( -7.761 29.813 0.552) 30.812 12.400 ( -5.446 16.163 3.354) 17.382 12.759 ( -4.795 3.452 4.794) 7.608 13.139 ( -10.349 5.243 10.154) 15.417 13.587 ( 10.975 1.926 5.041) 12.230 13.885 ( -12.135 1.813 4.449) 13.052 14.311 ( -3.763 -1.012 0.070) 3.898 14.732 ( 14.664 -5.338 -4.167) 16.152 14.996 ( -2.103 2.253 -1.567) 3.457 15.316 ( 6.950 -2.774 -0.172) 7.485 15.930 ( 0.518 9.137 -2.054) 9.379 16.006 ( 2.454 7.215 -0.012) 7.621 16.295 ( 0.038 5.065 -6.342) 8.116 16.932 ( -5.048 -7.523 8.117) 12.164 16.995 ( -2.914 -7.605 0.531) 8.162 17.436 ( -2.165 -3.328 -1.693) 4.316 17.564 ( 0.520 -1.682 2.495) 3.054 17.922 ( -0.462 -1.721 -1.620) 2.408 18.206 ( 1.776 -1.066 -3.380) 3.965 18.489 ( 0.516 -6.857 9.132) 11.431 18.822 ( -1.233 -3.241 -0.833) 3.567 19.269 ( -1.123 -12.680 -3.183) 13.122 20.005 ( -4.863 9.099 8.958) 13.663 ======================= Grid point 125 (96/148) ======================= q-point: (-0.52 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 0.549 -2.204 -21.994) 22.111 2.776 ( 3.034 -16.852 -20.516) 26.723 3.675 ( 1.549 4.262 -3.463) 5.706 4.253 ( -5.354 13.290 -11.555) 18.407 4.971 ( 1.521 1.831 7.619) 7.982 5.074 ( 0.391 -7.121 -0.655) 7.162 5.431 ( 28.307 -8.604 7.161) 30.441 6.617 ( 3.252 -10.801 -10.517) 15.422 6.755 ( -16.246 -5.053 0.780) 17.032 6.996 ( -3.040 1.345 -7.492) 8.196 7.278 ( 4.169 -4.371 -5.036) 7.864 8.623 ( 8.399 10.258 5.024) 14.178 8.880 ( 9.636 8.620 10.894) 16.907 9.264 ( 14.706 -0.581 1.492) 14.793 9.352 ( 8.095 -0.610 10.986) 13.659 10.213 ( 2.096 -10.819 3.462) 11.551 10.578 ( -0.312 5.306 -14.945) 15.862 10.887 ( 17.109 -7.113 -13.825) 23.118 11.548 ( -8.690 -1.341 1.036) 8.854 11.934 ( -17.777 6.011 -7.542) 20.225 12.338 ( -14.220 8.119 0.219) 16.375 12.780 ( -4.058 6.848 1.622) 8.123 13.219 ( 0.201 8.015 9.182) 12.190 13.570 ( -17.108 -2.572 7.002) 18.664 13.929 ( 14.305 3.929 7.851) 16.785 14.283 ( -0.797 2.606 -0.327) 2.745 14.760 ( 6.304 -8.271 1.756) 10.547 15.024 ( -0.609 -0.162 0.377) 0.734 15.495 ( 11.097 0.625 0.629) 11.132 16.118 ( 1.085 1.551 -0.844) 2.073 16.144 ( 0.745 8.536 -3.699) 9.333 16.358 ( -0.870 1.300 -5.502) 5.720 16.666 ( -6.259 -5.555 1.899) 8.581 16.883 ( 0.566 -0.362 -0.341) 0.754 17.258 ( -4.314 -6.987 -1.611) 8.368 17.521 ( 0.672 -1.946 0.558) 2.133 17.838 ( -6.739 -1.377 2.399) 7.284 18.231 ( 0.777 2.657 -3.925) 4.802 18.415 ( 2.735 -4.451 5.759) 7.776 18.780 ( 0.902 -3.207 -4.393) 5.514 19.118 ( 5.978 -3.731 2.788) 7.578 20.032 ( -7.712 6.588 9.180) 13.680 ======================= Grid point 126 (97/148) ======================= q-point: (-0.52 -0.15 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -4.899 0.000 -10.160) 11.279 2.545 ( -5.795 0.000 -15.460) 16.510 3.858 ( 2.986 -0.000 6.329) 6.999 4.234 ( -6.137 0.000 -9.863) 11.616 4.749 ( 0.733 -0.000 2.339) 2.451 5.238 ( 1.235 -0.000 -0.661) 1.401 5.415 ( -9.319 0.000 -21.107) 23.073 6.311 ( -13.153 0.000 1.731) 13.267 7.004 ( 23.408 -0.000 -5.201) 23.979 7.037 ( 3.260 -0.000 -0.504) 3.299 7.478 ( 18.212 -0.000 7.578) 19.725 8.841 ( 8.084 -0.000 4.715) 9.358 8.932 ( -1.093 -0.000 22.817) 22.843 9.504 ( 5.945 0.000 -8.527) 10.395 9.951 ( -5.007 0.000 -2.190) 5.465 10.000 ( 24.809 -0.000 1.762) 24.871 10.396 ( -8.800 0.000 -9.911) 13.254 11.104 ( -28.002 0.000 5.270) 28.493 11.401 ( 20.736 -0.000 -9.612) 22.856 11.677 ( -7.438 0.000 -7.788) 10.769 12.161 ( -8.189 0.000 -1.248) 8.284 12.830 ( 1.823 -0.000 -1.042) 2.100 13.052 ( -22.046 0.000 9.345) 23.945 13.406 ( 3.562 -0.000 6.604) 7.504 14.286 ( 13.246 -0.000 11.032) 17.239 14.301 ( -0.755 0.000 -4.256) 4.323 14.783 ( 4.346 -0.000 2.610) 5.070 14.969 ( -2.144 -0.000 3.943) 4.488 15.739 ( 9.310 -0.000 0.637) 9.332 16.146 ( 1.388 -0.000 -0.162) 1.398 16.271 ( -1.791 0.000 0.222) 1.805 16.309 ( -1.028 0.000 -6.402) 6.484 16.461 ( -7.223 0.000 -2.910) 7.787 16.976 ( 4.564 -0.000 -0.495) 4.591 17.052 ( -5.265 0.000 -1.321) 5.428 17.506 ( -1.089 0.000 -0.977) 1.463 17.646 ( -5.997 0.000 1.281) 6.133 18.331 ( 1.911 -0.000 7.099) 7.352 18.400 ( 1.836 0.000 -7.123) 7.356 18.725 ( -0.188 0.000 -6.036) 6.039 19.299 ( 10.073 -0.000 2.388) 10.352 19.947 ( -6.627 -0.000 8.826) 11.037 ======================= Grid point 136 (98/148) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 0.000 -31.003) 31.003 1.261 ( 0.000 0.000 -31.635) 31.635 2.122 ( 0.000 0.000 -49.092) 49.092 4.135 ( 0.000 0.000 -8.181) 8.181 4.815 ( 0.000 0.000 -5.618) 5.618 5.207 ( -0.000 -0.000 20.475) 20.475 5.652 ( -0.000 -0.000 20.472) 20.472 6.598 ( -0.000 -0.000 8.545) 8.545 6.907 ( 0.000 0.000 -6.036) 6.036 7.209 ( 0.000 0.000 -9.095) 9.095 7.508 ( 0.000 0.000 -4.915) 4.915 7.758 ( -0.000 -0.000 7.078) 7.078 8.442 ( -0.000 -0.000 6.016) 6.016 9.263 ( 0.000 0.000 -9.257) 9.257 9.312 ( 0.000 0.000 -17.075) 17.075 9.620 ( -0.000 -0.000 3.891) 3.891 10.325 ( 0.000 0.000 -14.997) 14.997 10.395 ( 0.000 0.000 -0.304) 0.304 11.234 ( -0.000 -0.000 6.093) 6.093 12.440 ( 0.000 0.000 -11.093) 11.093 12.928 ( -0.000 -0.000 1.632) 1.632 12.999 ( -0.000 -0.000 6.847) 6.847 13.686 ( -0.000 -0.000 4.970) 4.970 14.045 ( -0.000 -0.000 9.501) 9.501 14.143 ( 0.000 0.000 -7.272) 7.272 14.397 ( -0.000 -0.000 7.543) 7.543 14.424 ( -0.000 -0.000 1.904) 1.904 14.919 ( 0.000 0.000 -4.451) 4.451 15.211 ( -0.000 -0.000 1.085) 1.085 15.928 ( 0.000 0.000 -6.848) 6.848 16.087 ( 0.000 0.000 -0.293) 0.293 16.381 ( -0.000 -0.000 0.852) 0.852 16.814 ( -0.000 -0.000 0.658) 0.658 16.880 ( -0.000 -0.000 3.540) 3.540 17.169 ( 0.000 0.000 -2.812) 2.812 17.686 ( -0.000 -0.000 1.761) 1.761 17.908 ( 0.000 0.000 -3.701) 3.701 18.138 ( -0.000 -0.000 1.444) 1.444 18.518 ( -0.000 -0.000 1.244) 1.244 18.773 ( -0.000 -0.000 6.524) 6.524 19.047 ( -0.000 -0.000 2.783) 2.783 20.810 ( -0.000 -0.000 10.713) 10.713 ======================= Grid point 137 (99/148) ======================= q-point: ( 0.33 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -0.000 37.683 3.615) 37.856 2.684 ( -0.000 33.411 -1.170) 33.431 3.500 ( 0.000 -21.058 -3.973) 21.429 3.616 ( 0.000 -4.066 -16.491) 16.985 4.744 ( 0.000 -9.893 -0.822) 9.927 5.183 ( -0.000 50.889 2.997) 50.977 5.226 ( 0.000 -32.879 4.947) 33.249 6.728 ( -0.000 -3.495 10.104) 10.692 6.743 ( 0.000 -9.425 -5.885) 11.111 7.377 ( -0.000 3.470 0.546) 3.512 7.639 ( -0.000 1.967 0.293) 1.989 8.272 ( -0.000 -6.377 13.657) 15.072 8.898 ( 0.000 -3.158 -14.044) 14.395 9.567 ( -0.000 14.725 -3.461) 15.127 9.738 ( 0.000 3.460 -19.401) 19.707 9.764 ( -0.000 5.865 -3.070) 6.620 9.995 ( -0.000 3.080 6.621) 7.302 10.514 ( -0.000 -4.949 17.042) 17.746 11.328 ( -0.000 25.291 4.413) 25.673 12.000 ( 0.000 3.331 -13.530) 13.934 12.007 ( 0.000 -17.224 -3.058) 17.493 12.511 ( -0.000 -4.961 9.639) 10.841 13.329 ( 0.000 -15.091 10.574) 18.427 13.496 ( 0.000 -3.975 -0.820) 4.059 13.919 ( -0.000 1.656 3.498) 3.871 14.292 ( -0.000 16.756 -7.205) 18.239 14.483 ( 0.000 -1.989 -1.751) 2.650 14.971 ( -0.000 4.051 4.072) 5.744 15.479 ( -0.000 6.754 -1.058) 6.837 15.579 ( 0.000 -7.849 0.994) 7.911 15.643 ( -0.000 0.705 2.173) 2.284 16.227 ( -0.000 3.332 -3.402) 4.762 17.127 ( 0.000 -8.106 3.959) 9.021 17.441 ( 0.000 -0.819 -0.566) 0.996 17.465 ( -0.000 -0.350 0.541) 0.644 17.473 ( -0.000 0.705 -0.427) 0.824 18.169 ( 0.000 -1.231 -7.911) 8.006 18.242 ( 0.000 -1.362 -0.972) 1.674 18.593 ( -0.000 -2.444 8.054) 8.417 19.050 ( 0.000 -3.149 -2.335) 3.921 19.588 ( -0.000 6.811 2.146) 7.141 19.959 ( 0.000 -12.858 -3.579) 13.347 ======================= Grid point 138 (100/148) ======================= q-point: ( 0.33 -0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 5.183 -9.239 -13.976) 17.537 3.393 ( 2.506 29.098 -4.514) 29.552 3.493 ( 2.838 7.490 -11.875) 14.323 3.610 ( 10.855 20.648 2.383) 23.449 4.496 ( -4.761 -32.229 3.813) 32.802 4.869 ( 25.001 -6.108 1.231) 25.766 6.001 ( -2.385 13.602 -3.304) 14.199 6.443 ( -6.691 4.782 0.017) 8.224 6.817 ( 12.229 -3.092 7.499) 14.675 7.364 ( -7.574 -5.603 3.407) 10.019 7.853 ( 12.489 12.013 -2.327) 17.484 8.046 ( -6.923 0.067 10.904) 12.917 8.651 ( -7.084 -23.868 -15.746) 29.458 9.272 ( 12.873 -13.263 -10.531) 21.272 9.593 ( -11.600 -9.919 9.046) 17.742 10.145 ( 9.586 8.610 -4.569) 13.671 10.301 ( 10.423 3.501 2.294) 11.232 10.943 ( 1.114 33.006 2.665) 33.132 11.593 ( -5.484 -1.383 -7.304) 9.238 11.847 ( -0.244 -1.091 4.414) 4.554 12.034 ( 5.011 7.781 -8.948) 12.873 12.548 ( -2.556 8.321 6.167) 10.667 12.905 ( -16.074 -5.601 10.299) 19.895 13.537 ( 9.825 -2.331 1.119) 10.159 13.771 ( -11.579 2.149 3.187) 12.200 14.340 ( -6.213 -1.794 -0.028) 6.467 14.825 ( 14.332 6.896 -5.525) 16.837 15.002 ( -0.959 -0.938 1.232) 1.822 15.425 ( 6.259 -6.979 -0.915) 9.419 15.741 ( 0.926 8.036 1.855) 8.299 15.804 ( 5.312 11.600 0.121) 12.759 16.306 ( -0.270 4.771 -4.568) 6.611 16.906 ( -4.968 -6.892 6.316) 10.586 17.158 ( -7.795 -6.612 -0.168) 10.223 17.525 ( 0.983 -2.337 -0.943) 2.705 17.538 ( 1.903 -0.617 0.720) 2.126 18.081 ( -0.695 -6.085 -4.791) 7.776 18.252 ( 2.877 0.966 -1.388) 3.337 18.480 ( -1.110 -6.563 7.004) 9.662 18.921 ( -3.871 -5.339 -0.673) 6.628 19.618 ( -3.831 -12.076 -3.851) 13.242 19.714 ( -2.919 5.524 4.187) 7.521 ======================= Grid point 141 (101/148) ======================= q-point: (-0.67 -0.17 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -2.107 -3.916 -16.591) 17.176 3.457 ( 4.083 -5.528 -10.201) 12.300 3.675 ( -13.227 -17.902 3.025) 22.463 4.063 ( -0.326 21.243 -7.347) 22.480 4.502 ( 8.967 25.787 4.411) 27.656 5.424 ( 29.240 -11.114 -1.201) 31.304 5.578 ( 10.596 -26.631 5.562) 29.197 6.686 ( -3.234 12.489 -1.497) 12.988 6.914 ( -9.721 -13.987 3.636) 17.417 7.140 ( 5.430 7.715 -10.699) 14.265 7.913 ( -12.514 -13.833 -21.820) 28.706 8.118 ( 8.571 -2.736 17.772) 19.920 8.526 ( 13.638 17.610 -1.048) 22.298 9.025 ( -8.976 -8.002 20.439) 23.714 9.508 ( 19.785 -6.468 -5.980) 21.658 10.380 ( 8.359 -9.609 1.651) 12.842 10.624 ( 4.492 12.594 -6.284) 14.774 11.286 ( 1.521 -6.382 -9.733) 11.738 11.447 ( -10.782 7.827 0.154) 13.325 11.892 ( 0.551 10.241 0.207) 10.258 12.195 ( -16.286 1.415 -2.735) 16.575 12.533 ( -2.596 13.215 0.933) 13.499 12.833 ( -0.674 10.469 10.037) 14.519 13.506 ( -15.535 -1.212 3.659) 16.006 13.782 ( 14.661 -0.714 3.594) 15.112 14.220 ( -3.415 2.563 0.743) 4.334 14.886 ( -4.712 -2.940 0.852) 5.619 15.081 ( 9.195 -6.540 -1.124) 11.340 15.505 ( 9.142 -1.972 -0.677) 9.377 15.977 ( 0.348 12.089 -1.289) 12.163 16.089 ( 4.009 4.303 -0.922) 5.953 16.399 ( -0.593 4.614 -4.585) 6.531 16.685 ( -4.835 -3.766 5.061) 7.948 16.923 ( -4.102 -2.418 -0.611) 4.801 17.420 ( -3.026 -6.247 -1.174) 7.040 17.539 ( 2.069 -2.024 1.627) 3.320 17.908 ( -2.894 -7.195 -1.273) 7.859 18.301 ( -0.715 -4.506 0.766) 4.627 18.427 ( 4.924 1.372 -3.096) 5.976 18.772 ( -0.192 0.829 4.523) 4.603 19.299 ( -1.350 -11.836 -2.227) 12.119 19.756 ( -5.488 6.132 4.320) 9.294 ======================= Grid point 142 (102/148) ======================= q-point: ( 0.33 -0.17 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -11.216 -9.269 -8.459) 16.831 2.953 ( -15.928 -12.591 -10.046) 22.653 3.570 ( -0.750 5.857 8.983) 10.750 4.362 ( -6.096 11.584 -10.684) 16.897 4.851 ( 1.123 -3.005 3.301) 4.603 5.152 ( 4.652 -3.658 0.207) 5.921 5.948 ( 11.753 -10.725 -14.019) 21.206 6.413 ( -10.133 -12.693 2.938) 16.505 6.915 ( 10.959 7.161 1.025) 13.131 7.296 ( 8.527 -4.929 -17.721) 20.274 7.467 ( -10.216 -2.562 -4.041) 11.281 8.333 ( 5.253 1.836 28.277) 28.819 8.742 ( 19.581 -4.540 12.063) 23.442 9.387 ( 5.834 23.048 -1.963) 23.856 9.893 ( 18.586 1.491 -8.194) 20.367 10.269 ( 5.499 -12.082 0.845) 13.302 10.628 ( -16.307 -3.091 -9.387) 19.068 10.926 ( -22.229 6.597 4.398) 23.601 11.594 ( 4.786 -3.239 -6.687) 8.838 11.815 ( -9.314 -3.253 -0.154) 9.866 12.128 ( 5.269 6.227 -2.434) 8.512 12.749 ( -7.790 8.992 2.534) 12.164 12.896 ( -7.316 2.210 1.811) 7.854 13.241 ( -0.470 1.533 7.044) 7.224 14.073 ( 12.781 0.042 7.044) 14.593 14.312 ( -0.143 8.434 -3.970) 9.322 14.737 ( -3.382 -1.131 4.614) 5.832 15.013 ( 3.973 -11.863 1.802) 12.640 15.702 ( 8.095 2.397 0.081) 8.442 16.151 ( 0.350 2.626 -0.669) 2.733 16.187 ( -0.493 4.431 -0.956) 4.560 16.425 ( -3.382 1.088 -4.466) 5.707 16.535 ( -4.339 -2.912 0.180) 5.229 16.911 ( 0.518 4.250 -0.478) 4.308 17.174 ( -4.905 -7.038 -0.411) 8.588 17.571 ( 3.397 -1.945 -0.730) 3.982 17.664 ( -5.558 -6.137 0.994) 8.339 18.240 ( 1.901 -1.865 2.396) 3.583 18.523 ( 1.139 4.551 -8.728) 9.909 18.915 ( 3.681 -3.915 -4.790) 7.198 19.190 ( 9.824 -0.730 7.687) 12.496 19.732 ( -7.130 4.715 5.018) 9.912 ======================= Grid point 143 (103/148) ======================= q-point: (-0.17 -0.17 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 11.736 20.424 -2.116) 23.650 3.107 ( 15.480 15.867 -11.737) 25.083 3.496 ( 0.425 -9.931 4.756) 11.019 3.992 ( 0.107 -1.599 1.610) 2.271 4.366 ( -0.832 13.779 0.608) 13.817 5.727 ( -2.975 -30.060 2.920) 30.347 6.049 ( 2.483 15.484 10.749) 19.012 6.647 ( 10.158 -10.334 7.793) 16.454 7.116 ( -2.810 24.679 -6.838) 25.763 7.508 ( -2.594 22.945 1.788) 23.160 7.745 ( 21.609 1.359 -3.078) 21.870 8.095 ( 3.902 -9.357 -5.874) 11.717 8.678 ( 5.348 -0.390 -9.086) 10.550 9.521 ( 3.477 -9.658 1.805) 10.422 9.736 ( 0.593 -7.438 2.941) 8.021 10.183 ( 3.996 3.879 3.384) 6.516 10.428 ( -7.192 -0.844 1.171) 7.335 10.768 ( -18.221 -9.901 -0.349) 20.740 11.421 ( 15.480 10.664 -2.082) 18.913 11.776 ( 6.766 2.851 -4.361) 8.540 11.930 ( 2.170 8.532 -4.217) 9.762 12.370 ( -2.771 -15.099 6.868) 16.818 12.933 ( -1.455 -13.924 -2.142) 14.162 13.372 ( -24.119 -0.684 -0.520) 24.134 14.064 ( 5.459 3.080 -0.508) 6.288 14.553 ( -2.685 -5.753 -4.626) 7.856 14.574 ( 12.731 1.414 -0.305) 12.813 15.099 ( -0.952 -1.861 -2.566) 3.310 15.660 ( 5.210 3.457 0.897) 6.317 15.938 ( 2.140 -7.665 1.986) 8.202 16.009 ( 8.011 3.112 2.757) 9.025 16.268 ( 3.587 -0.849 -0.572) 3.730 16.680 ( -9.911 1.238 -0.692) 10.012 16.766 ( -7.282 -1.612 -1.275) 7.567 17.473 ( -0.065 9.507 -0.606) 9.526 17.845 ( -0.978 -4.858 0.210) 4.960 18.007 ( 2.166 6.109 5.299) 8.372 18.125 ( -1.864 6.635 0.423) 6.905 18.550 ( -2.970 0.410 -4.086) 5.068 18.938 ( -2.427 -8.621 3.157) 9.496 19.383 ( -0.023 3.807 1.614) 4.135 19.581 ( -8.944 -4.480 0.868) 10.041 ======================= Grid point 144 (104/148) ======================= q-point: (-0.17 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -2.489 -14.944 0.503) 15.158 3.215 ( 2.489 14.944 0.503) 15.158 3.665 ( -2.695 -18.306 -2.321) 18.648 3.665 ( 2.695 18.306 -2.321) 18.648 4.974 ( 2.009 -39.555 6.658) 40.161 4.974 ( -2.009 39.555 6.658) 40.161 6.422 ( -0.636 -16.536 7.132) 18.020 6.422 ( 0.636 16.536 7.132) 18.020 7.659 ( -1.074 -23.978 -5.310) 24.582 7.659 ( 1.074 23.978 -5.310) 24.582 7.914 ( 1.667 -16.671 -3.971) 17.218 7.914 ( -1.667 16.671 -3.971) 17.218 9.132 ( -4.035 -25.460 -1.164) 25.804 9.132 ( 4.035 25.460 -1.164) 25.804 9.898 ( -20.763 -3.385 0.884) 21.056 9.898 ( 20.763 3.385 0.884) 21.056 10.412 ( 0.509 -12.503 2.468) 12.755 10.412 ( -0.509 12.503 2.468) 12.755 11.856 ( -2.009 -12.150 -1.827) 12.449 11.856 ( 2.009 12.150 -1.827) 12.449 12.160 ( 9.584 -6.974 2.974) 12.220 12.160 ( -9.584 6.974 2.974) 12.220 12.854 ( -15.833 0.215 -4.138) 16.366 12.854 ( 15.833 -0.215 -4.138) 16.366 14.307 ( -3.777 -8.997 -3.949) 10.526 14.307 ( 3.777 8.997 -3.949) 10.526 14.908 ( -5.303 -8.165 1.238) 9.814 14.908 ( 5.303 8.165 1.238) 9.814 15.811 ( -0.530 -5.949 1.893) 6.265 15.811 ( 0.530 5.949 1.893) 6.265 16.246 ( -1.836 -4.849 0.638) 5.224 16.246 ( 1.836 4.849 0.638) 5.224 16.604 ( -2.068 -2.040 -1.038) 3.084 16.604 ( 2.068 2.040 -1.038) 3.084 17.682 ( -1.691 -8.108 0.248) 8.287 17.682 ( 1.691 8.108 0.248) 8.287 18.161 ( -1.920 -1.887 1.842) 3.262 18.161 ( 1.920 1.887 1.842) 3.262 18.614 ( -3.426 -8.807 -3.184) 9.972 18.614 ( 3.426 8.807 -3.184) 9.972 19.449 ( -0.335 -2.904 2.428) 3.800 19.449 ( 0.335 2.904 2.428) 3.800 ======================= Grid point 146 (105/148) ======================= q-point: ( 0.33 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -19.865 0.000 1.652) 19.934 2.452 ( -22.021 0.000 -5.214) 22.630 3.554 ( -9.252 -0.000 13.365) 16.255 4.319 ( -6.623 0.000 -10.636) 12.530 4.884 ( 4.991 -0.000 -1.370) 5.175 5.250 ( 7.112 -0.000 0.703) 7.146 5.791 ( -6.901 0.000 -33.694) 34.394 6.071 ( -5.054 0.000 3.194) 5.979 7.050 ( -2.653 -0.000 7.942) 8.373 7.229 ( -9.224 -0.000 9.833) 13.482 7.649 ( 18.510 -0.000 -5.303) 19.255 8.461 ( 5.880 -0.000 20.698) 21.516 9.374 ( 21.820 -0.000 1.351) 21.862 9.416 ( -16.833 0.000 -8.836) 19.011 9.976 ( -6.725 0.000 -4.162) 7.909 10.351 ( 8.041 -0.000 -0.748) 8.076 10.461 ( 12.517 -0.000 2.599) 12.784 10.691 ( -9.025 0.000 -7.117) 11.494 11.317 ( -22.735 0.000 4.856) 23.248 11.544 ( -8.852 0.000 1.410) 8.964 12.179 ( -16.894 0.000 -2.806) 17.126 12.805 ( 24.741 -0.000 2.749) 24.893 12.997 ( 5.182 0.000 -6.951) 8.670 13.341 ( 3.602 -0.000 7.682) 8.485 14.294 ( 7.794 -0.000 9.053) 11.946 14.416 ( -0.667 0.000 -7.417) 7.446 14.804 ( -0.451 -0.000 7.905) 7.918 14.851 ( 4.759 -0.000 0.124) 4.760 15.857 ( 1.442 -0.000 -0.061) 1.443 16.165 ( -0.362 0.000 -0.055) 0.367 16.247 ( 0.534 -0.000 0.135) 0.551 16.300 ( -7.765 0.000 -0.787) 7.804 16.366 ( -6.598 0.000 -2.802) 7.168 16.979 ( -2.382 0.000 -0.226) 2.392 17.041 ( -0.883 0.000 -0.349) 0.949 17.472 ( 1.522 -0.000 -0.143) 1.529 17.656 ( 3.371 -0.000 -1.262) 3.600 18.293 ( 3.930 -0.000 2.978) 4.931 18.636 ( 1.021 0.000 -13.282) 13.321 18.840 ( 0.566 0.000 -4.428) 4.464 19.438 ( 5.929 -0.000 2.022) 6.265 19.679 ( 0.038 -0.000 10.659) 10.660 ======================= Grid point 153 (106/148) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 -0.944 -28.735) 28.751 1.964 ( 0.000 -8.255 -32.559) 33.589 3.182 ( 0.000 -18.482 -30.667) 35.805 4.191 ( -0.000 14.191 -10.223) 17.490 4.678 ( -0.000 9.676 16.965) 19.531 4.866 ( -0.000 5.009 0.768) 5.068 5.502 ( 0.000 -22.274 18.715) 29.093 6.634 ( 0.000 -8.428 -4.487) 9.548 6.963 ( -0.000 -2.642 5.873) 6.440 7.399 ( 0.000 3.533 -12.750) 13.230 7.651 ( 0.000 -4.863 -5.809) 7.575 7.673 ( 0.000 4.165 -6.750) 7.932 8.326 ( -0.000 0.171 5.997) 6.000 9.100 ( -0.000 8.347 14.034) 16.328 9.574 ( 0.000 -3.345 -2.397) 4.115 9.727 ( 0.000 -7.038 -9.189) 11.574 10.385 ( -0.000 3.291 0.419) 3.318 10.709 ( 0.000 -6.303 -16.668) 17.820 11.258 ( 0.000 -3.583 -6.229) 7.186 12.424 ( -0.000 19.734 -4.347) 20.207 12.806 ( -0.000 8.829 2.443) 9.160 12.873 ( -0.000 -1.224 4.731) 4.887 13.558 ( -0.000 2.042 5.276) 5.657 13.704 ( -0.000 9.454 10.859) 14.398 14.190 ( -0.000 2.789 2.174) 3.536 14.317 ( 0.000 -2.673 0.390) 2.702 14.380 ( 0.000 -0.889 0.529) 1.035 14.995 ( 0.000 1.800 -4.309) 4.670 15.201 ( 0.000 -1.173 0.859) 1.454 16.007 ( -0.000 6.250 -5.742) 8.487 16.080 ( -0.000 1.851 -0.045) 1.852 16.271 ( -0.000 5.689 -5.603) 7.985 16.861 ( 0.000 -5.965 0.679) 6.004 16.987 ( 0.000 -11.883 9.097) 14.966 17.315 ( 0.000 -7.504 -2.280) 7.842 17.623 ( -0.000 2.010 1.833) 2.721 17.906 ( -0.000 5.332 -3.742) 6.514 18.129 ( 0.000 -1.893 0.326) 1.921 18.551 ( 0.000 -6.989 10.631) 12.723 18.722 ( 0.000 -3.225 -2.057) 3.825 19.049 ( 0.000 -6.163 1.778) 6.414 20.467 ( -0.000 8.935 11.735) 14.749 ======================= Grid point 154 (107/148) ======================= q-point: ( 0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -0.000 41.503 0.000) 41.503 2.005 ( -0.000 33.867 0.000) 33.867 3.779 ( -0.000 10.339 0.000) 10.339 4.002 ( 0.000 -22.069 -0.000) 22.069 4.023 ( -0.000 47.323 0.000) 47.323 5.025 ( 0.000 -14.549 -0.000) 14.549 5.811 ( 0.000 -29.129 -0.000) 29.129 6.690 ( 0.000 -2.683 -0.000) 2.683 6.975 ( 0.000 -1.793 -0.000) 1.793 7.370 ( 0.000 -3.608 -0.000) 3.608 7.572 ( -0.000 3.620 0.000) 3.620 8.219 ( 0.000 -4.060 -0.000) 4.060 8.657 ( -0.000 49.877 0.000) 49.877 9.079 ( -0.000 1.785 0.000) 1.785 9.644 ( -0.000 12.285 0.000) 12.285 9.761 ( -0.000 6.099 0.000) 6.099 10.107 ( 0.000 -3.026 -0.000) 3.026 10.771 ( -0.000 22.856 0.000) 22.856 10.837 ( 0.000 -35.539 -0.000) 35.539 11.941 ( -0.000 11.080 0.000) 11.080 12.396 ( 0.000 -16.946 -0.000) 16.946 12.670 ( 0.000 -15.103 -0.000) 15.103 13.541 ( 0.000 -13.620 -0.000) 13.620 13.614 ( 0.000 -5.621 -0.000) 5.621 13.853 ( -0.000 0.448 0.000) 0.448 14.041 ( -0.000 12.617 0.000) 12.617 14.544 ( 0.000 -1.870 -0.000) 1.870 14.812 ( -0.000 3.644 0.000) 3.644 15.321 ( -0.000 5.957 0.000) 5.957 15.655 ( 0.000 -2.714 -0.000) 2.714 15.818 ( 0.000 -11.813 -0.000) 11.813 16.178 ( -0.000 4.437 0.000) 4.437 17.255 ( 0.000 -5.952 -0.000) 5.952 17.279 ( -0.000 10.454 0.000) 10.454 17.464 ( 0.000 -0.263 -0.000) 0.263 17.564 ( 0.000 -3.654 -0.000) 3.654 18.268 ( -0.000 0.516 0.000) 0.516 18.315 ( -0.000 2.023 0.000) 2.023 18.443 ( -0.000 1.767 0.000) 1.767 19.122 ( 0.000 -1.118 -0.000) 1.118 19.448 ( -0.000 6.029 0.000) 6.029 20.235 ( 0.000 -10.681 -0.000) 10.681 ======================= Grid point 155 (108/148) ======================= q-point: ( 0.19 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 19.954 39.274 -0.000) 44.052 2.758 ( 5.085 32.932 -0.000) 33.322 3.560 ( 1.538 -20.926 -0.000) 20.983 3.718 ( -6.426 -1.149 0.000) 6.528 5.058 ( 27.234 -10.883 -0.000) 29.328 5.154 ( -0.368 -34.740 -0.000) 34.742 5.168 ( 2.233 51.798 0.000) 51.846 6.623 ( -2.009 -3.479 0.000) 4.017 6.895 ( 8.905 -13.148 -0.000) 15.880 7.396 ( 2.410 -0.597 -0.000) 2.483 7.659 ( 1.270 7.426 -0.000) 7.534 7.970 ( -12.461 -2.162 0.000) 12.648 9.065 ( -0.562 -2.164 0.000) 2.236 9.639 ( 1.313 32.674 0.000) 32.700 9.658 ( -8.785 -8.202 0.000) 12.019 9.864 ( 0.989 -8.050 -0.000) 8.111 10.240 ( 11.326 3.372 -0.000) 11.817 10.434 ( 18.167 -1.030 -0.000) 18.196 11.255 ( -2.835 24.146 0.000) 24.311 12.089 ( 4.393 -17.006 -0.000) 17.564 12.181 ( -2.040 13.809 0.000) 13.959 12.314 ( -3.746 -12.235 0.000) 12.795 12.991 ( -20.392 -10.893 0.000) 23.120 13.606 ( 9.044 -4.558 -0.000) 10.127 13.706 ( -8.152 -0.469 0.000) 8.166 14.380 ( -5.459 -1.564 0.000) 5.679 14.700 ( 16.251 13.014 -0.000) 20.820 14.897 ( -1.805 4.880 0.000) 5.203 15.542 ( 4.153 9.979 -0.000) 10.808 15.628 ( 5.419 -11.133 -0.000) 12.382 15.661 ( 4.429 0.305 -0.000) 4.440 16.263 ( 0.446 3.590 -0.000) 3.618 17.004 ( -7.422 -7.350 0.000) 10.446 17.233 ( -12.138 -0.861 0.000) 12.168 17.484 ( 2.505 4.261 -0.000) 4.943 17.630 ( 6.022 -5.374 -0.000) 8.071 18.249 ( -0.091 0.160 0.000) 0.184 18.279 ( -1.125 -4.271 0.000) 4.417 18.457 ( -1.400 -0.379 0.000) 1.450 19.039 ( -3.458 -4.664 0.000) 5.806 19.556 ( -0.781 5.281 0.000) 5.339 19.915 ( -7.199 -11.307 0.000) 13.404 ======================= Grid point 156 (109/148) ======================= q-point: (-0.31 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 3.641 0.000 -28.592) 28.823 1.962 ( 9.277 0.000 -28.139) 29.629 3.130 ( 13.166 0.000 -33.254) 35.765 4.289 ( -4.711 0.000 -11.477) 12.406 4.988 ( 3.945 0.000 -6.656) 7.738 5.056 ( 24.445 -0.000 21.290) 32.416 5.189 ( -5.058 -0.000 18.892) 19.557 6.351 ( -12.526 0.000 -6.937) 14.318 6.926 ( -0.782 0.000 -3.771) 3.851 7.201 ( -26.006 0.000 -1.909) 26.076 7.296 ( -3.703 -0.000 6.747) 7.696 8.117 ( 23.786 -0.000 -14.677) 27.949 8.763 ( 29.913 -0.000 2.689) 30.034 9.181 ( 0.106 -0.000 14.375) 14.376 9.550 ( 1.399 -0.000 8.835) 8.945 9.913 ( 22.439 -0.000 -16.634) 27.932 10.335 ( -7.636 0.000 2.476) 8.027 10.543 ( -7.920 0.000 -14.928) 16.899 11.315 ( 6.761 0.000 -8.370) 10.759 12.557 ( -20.773 0.000 6.488) 21.763 12.571 ( -6.859 0.000 -8.095) 10.610 12.972 ( -2.258 0.000 0.817) 2.401 13.447 ( -5.214 -0.000 5.425) 7.524 13.905 ( 9.045 -0.000 9.775) 13.317 14.056 ( -13.567 0.000 8.431) 15.973 14.364 ( -1.127 -0.000 3.870) 4.031 14.483 ( 13.217 -0.000 -0.174) 13.218 15.017 ( -0.279 0.000 -4.283) 4.292 15.295 ( 9.241 -0.000 1.469) 9.356 16.099 ( 0.491 -0.000 -0.295) 0.573 16.105 ( 1.949 0.000 -8.392) 8.615 16.352 ( -1.174 0.000 0.650) 1.342 16.719 ( -6.495 0.000 -0.068) 6.496 16.836 ( 1.383 -0.000 0.401) 1.440 17.200 ( -2.544 0.000 -2.834) 3.808 17.569 ( -4.197 0.000 1.420) 4.431 18.030 ( -4.347 0.000 3.174) 5.383 18.126 ( 6.744 -0.000 -3.505) 7.600 18.449 ( 0.079 -0.000 6.703) 6.703 18.681 ( -0.794 0.000 0.112) 0.802 19.028 ( 3.823 -0.000 3.143) 4.949 20.481 ( -7.540 -0.000 11.328) 13.609 ======================= Grid point 158 (110/148) ======================= q-point: ( 0.19 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 0.254 -7.945 -0.000) 7.949 3.501 ( -11.421 -1.704 0.000) 11.548 3.524 ( 4.263 25.040 -0.000) 25.400 3.842 ( 13.153 33.111 -0.000) 35.627 4.413 ( -1.176 -34.801 -0.000) 34.821 5.624 ( 41.438 -8.442 -0.000) 42.289 6.008 ( 3.250 4.869 -0.000) 5.854 6.318 ( -5.403 4.934 0.000) 7.317 7.109 ( 17.498 2.907 -0.000) 17.738 7.176 ( -5.216 -15.781 0.000) 16.620 7.717 ( -13.054 6.877 0.000) 14.755 8.134 ( 10.666 19.678 -0.000) 22.383 8.797 ( 2.664 -18.417 -0.000) 18.608 9.045 ( -16.322 -22.753 0.000) 28.002 9.744 ( 15.077 -11.727 -0.000) 19.101 10.251 ( -4.687 29.275 0.000) 29.648 10.497 ( 8.646 -1.707 -0.000) 8.813 11.201 ( 23.380 18.490 -0.000) 29.807 11.339 ( -21.643 6.255 0.000) 22.529 11.879 ( 4.376 -12.108 -0.000) 12.874 12.266 ( 3.316 9.645 -0.000) 10.199 12.346 ( -21.417 -7.554 0.000) 22.710 12.447 ( -0.166 14.364 0.000) 14.365 13.485 ( -12.957 -1.164 0.000) 13.009 13.792 ( 14.655 -2.767 -0.000) 14.913 14.189 ( -6.146 -1.000 0.000) 6.227 14.886 ( -5.370 0.941 0.000) 5.452 15.177 ( 10.139 2.769 -0.000) 10.510 15.602 ( 8.226 -6.391 -0.000) 10.417 15.748 ( 1.971 8.345 -0.000) 8.575 15.967 ( 8.742 8.504 -0.000) 12.196 16.349 ( 0.003 4.433 0.000) 4.433 16.708 ( -6.968 -4.878 0.000) 8.506 16.971 ( -9.704 -1.078 0.000) 9.764 17.563 ( 2.926 -1.278 -0.000) 3.193 17.567 ( 0.259 -7.276 -0.000) 7.281 18.112 ( -1.697 -8.816 0.000) 8.977 18.361 ( 3.685 4.474 -0.000) 5.796 18.375 ( 0.796 -1.693 -0.000) 1.871 18.779 ( -9.118 -5.912 0.000) 10.867 19.558 ( -4.771 -10.160 0.000) 11.225 19.618 ( -2.663 4.183 0.000) 4.959 ======================= Grid point 159 (111/148) ======================= q-point: ( 0.19 -0.19 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( -9.127 -8.420 0.000) 12.418 3.142 ( -17.920 -4.079 0.000) 18.379 3.648 ( -1.187 -18.985 -0.000) 19.022 4.146 ( -1.079 16.202 0.000) 16.237 4.538 ( 0.700 21.054 0.000) 21.066 5.568 ( 6.304 -26.371 -0.000) 27.114 6.352 ( 34.854 -13.461 -0.000) 37.363 6.649 ( -1.792 19.272 0.000) 19.355 6.658 ( -7.043 -19.946 0.000) 21.153 7.582 ( -20.511 6.348 0.000) 21.471 7.583 ( 12.815 9.572 -0.000) 15.995 8.097 ( -7.676 -25.642 0.000) 26.767 8.776 ( 28.095 -12.061 -0.000) 30.574 8.890 ( 4.582 25.371 -0.000) 25.782 9.958 ( 16.819 -0.533 -0.000) 16.828 10.436 ( -10.211 -5.009 0.000) 11.373 10.589 ( -10.644 18.651 0.000) 21.475 10.877 ( -16.393 -5.211 0.000) 17.201 11.743 ( -6.828 -1.075 0.000) 6.912 11.842 ( -14.711 -3.736 0.000) 15.178 12.023 ( 31.854 4.825 -0.000) 32.217 12.506 ( -9.290 10.272 0.000) 13.850 12.752 ( 4.192 11.067 -0.000) 11.835 13.144 ( -12.476 0.816 0.000) 12.502 14.047 ( 13.714 -3.148 -0.000) 14.070 14.170 ( -0.561 6.353 0.000) 6.378 14.721 ( -8.087 -1.930 0.000) 8.314 15.243 ( 4.453 -9.033 -0.000) 10.071 15.681 ( 5.940 -0.976 -0.000) 6.019 15.984 ( -0.318 10.869 0.000) 10.874 16.182 ( 3.214 0.610 -0.000) 3.272 16.425 ( -1.702 3.432 0.000) 3.831 16.563 ( -2.479 -1.035 0.000) 2.687 16.836 ( -4.661 3.682 0.000) 5.940 17.342 ( -4.679 -9.253 0.000) 10.368 17.601 ( 4.932 -2.244 -0.000) 5.418 17.861 ( -2.107 -11.572 0.000) 11.762 18.279 ( 0.725 -3.481 -0.000) 3.556 18.563 ( -5.047 2.113 0.000) 5.471 18.777 ( 13.401 11.971 -0.000) 17.969 19.295 ( -0.806 -10.561 0.000) 10.592 19.612 ( -4.884 3.090 0.000) 5.780 ======================= Grid point 161 (112/148) ======================= q-point: (-0.31 -0.19 0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -0.000 18.521 0.000) 18.521 3.455 ( -0.000 -9.284 0.000) 9.284 3.504 ( 0.000 2.048 -0.000) 2.048 3.906 ( -0.000 21.748 0.000) 21.748 4.307 ( -0.000 -7.321 0.000) 7.321 5.652 ( -0.000 -30.848 0.000) 30.848 5.958 ( -0.000 20.594 -0.000) 20.594 6.652 ( -0.000 -10.495 0.000) 10.495 7.216 ( -0.000 25.414 -0.000) 25.414 7.380 ( -0.000 32.664 0.000) 32.664 8.092 ( 0.000 -12.945 0.000) 12.945 8.221 ( -0.000 -8.607 -0.000) 8.607 8.920 ( -0.000 -2.260 -0.000) 2.260 9.476 ( -0.000 -3.131 0.000) 3.131 9.806 ( -0.000 -1.154 0.000) 1.154 10.100 ( -0.000 -11.494 -0.000) 11.494 10.183 ( -0.000 4.037 -0.000) 4.037 10.608 ( -0.000 -8.140 0.000) 8.140 11.581 ( -0.000 12.190 0.000) 12.190 12.001 ( 0.000 5.491 -0.000) 5.491 12.092 ( -0.000 -2.731 -0.000) 2.731 12.300 ( 0.000 -13.146 0.000) 13.146 12.846 ( -0.000 1.268 0.000) 1.268 13.055 ( -0.000 -10.406 -0.000) 10.406 14.141 ( -0.000 8.169 0.000) 8.169 14.534 ( -0.000 -5.132 0.000) 5.132 14.809 ( -0.000 -0.533 0.000) 0.533 15.064 ( -0.000 -7.643 0.000) 7.643 15.703 ( -0.000 2.209 0.000) 2.209 15.941 ( -0.000 -8.022 0.000) 8.022 16.075 ( 0.000 8.192 0.000) 8.192 16.329 ( -0.000 -1.892 0.000) 1.892 16.576 ( 0.000 1.541 0.000) 1.541 16.683 ( -0.000 -4.195 0.000) 4.195 17.475 ( -0.000 11.057 0.000) 11.057 17.826 ( -0.000 -5.738 0.000) 5.738 17.989 ( -0.000 10.064 0.000) 10.064 18.094 ( -0.000 6.664 0.000) 6.664 18.566 ( -0.000 0.530 0.000) 0.530 18.866 ( -0.000 -8.794 -0.000) 8.794 19.381 ( -0.000 -1.666 0.000) 1.666 19.460 ( -0.000 -0.408 0.000) 0.408 ======================= Grid point 163 (113/148) ======================= q-point: ( 0.19 -0.19 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -19.992 -18.661 0.000) 27.348 2.575 ( -25.395 -5.634 0.000) 26.012 3.407 ( -7.017 -2.333 0.000) 7.395 4.335 ( -8.102 10.772 0.000) 13.478 4.806 ( -1.915 9.017 0.000) 9.218 5.382 ( 16.498 -14.746 -0.000) 22.128 6.167 ( -5.110 -13.370 0.000) 14.313 6.467 ( 9.186 -9.949 -0.000) 13.541 6.837 ( -26.868 -14.650 0.000) 30.603 7.043 ( 1.373 11.676 -0.000) 11.756 7.904 ( 0.230 1.187 -0.000) 1.209 8.044 ( 19.383 3.685 -0.000) 19.730 9.245 ( -26.697 20.949 0.000) 33.935 9.392 ( 40.059 -3.838 -0.000) 40.243 10.008 ( -14.227 0.996 0.000) 14.262 10.378 ( 14.989 5.190 -0.000) 15.862 10.557 ( 2.840 -14.109 -0.000) 14.392 10.630 ( -9.993 11.308 0.000) 15.091 11.383 ( -19.777 -8.170 0.000) 21.398 11.545 ( -8.760 -2.538 0.000) 9.120 12.181 ( -23.845 2.877 0.000) 24.018 12.764 ( 32.455 0.877 -0.000) 32.467 13.051 ( 7.126 6.031 -0.000) 9.336 13.162 ( 1.407 5.401 -0.000) 5.581 14.219 ( 8.600 -2.506 -0.000) 8.958 14.408 ( 1.876 15.076 -0.000) 15.193 14.541 ( -5.436 -0.515 0.000) 5.460 15.093 ( 3.455 -12.377 -0.000) 12.851 15.793 ( 0.157 4.574 0.000) 4.577 16.143 ( -1.732 7.344 0.000) 7.546 16.190 ( -0.216 -1.995 0.000) 2.007 16.341 ( -8.276 -1.718 0.000) 8.452 16.469 ( -2.253 -4.386 0.000) 4.930 16.908 ( -0.563 5.944 0.000) 5.971 17.097 ( -2.755 -5.160 0.000) 5.849 17.598 ( 1.546 -10.866 -0.000) 10.975 17.678 ( 4.876 -1.152 -0.000) 5.010 18.275 ( 3.232 -0.970 -0.000) 3.375 18.643 ( 0.038 9.075 0.000) 9.075 19.080 ( 0.852 -10.862 -0.000) 10.895 19.301 ( 15.172 6.974 -0.000) 16.698 19.540 ( -7.059 2.346 0.000) 7.439 ======================= Grid point 164 (114/148) ======================= q-point: ( 0.19 -0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -26.170 0.000 0.000) 26.170 1.921 ( -29.157 0.000 0.000) 29.157 3.032 ( -27.091 0.000 0.000) 27.091 4.277 ( -7.724 0.000 0.000) 7.724 4.846 ( -3.409 0.000 0.000) 3.409 5.683 ( 26.100 -0.000 -0.000) 26.100 5.962 ( -0.680 0.000 0.000) 0.680 6.238 ( -12.649 0.000 0.000) 12.649 6.551 ( 9.564 -0.000 -0.000) 9.564 7.138 ( -1.350 0.000 0.000) 1.350 7.776 ( -19.700 0.000 0.000) 19.700 8.506 ( 17.944 -0.000 -0.000) 17.944 8.680 ( -32.671 0.000 0.000) 32.671 9.973 ( 9.774 -0.000 -0.000) 9.774 9.989 ( 3.162 -0.000 -0.000) 3.162 10.269 ( -19.625 0.000 0.000) 19.625 10.541 ( 1.763 -0.000 -0.000) 1.763 10.627 ( -33.281 0.000 0.000) 33.281 11.049 ( 31.511 -0.000 -0.000) 31.511 11.375 ( -3.817 0.000 0.000) 3.817 11.919 ( -2.784 0.000 0.000) 2.784 13.250 ( 0.411 -0.000 -0.000) 0.411 13.266 ( 6.855 -0.000 -0.000) 6.855 13.407 ( 27.238 -0.000 -0.000) 27.238 14.322 ( 3.148 -0.000 -0.000) 3.148 14.476 ( -0.719 0.000 0.000) 0.719 14.752 ( 3.254 -0.000 -0.000) 3.254 14.958 ( 4.758 -0.000 -0.000) 4.758 15.787 ( -7.728 0.000 0.000) 7.728 16.097 ( -9.923 0.000 0.000) 9.923 16.138 ( -1.646 0.000 0.000) 1.646 16.228 ( -8.929 0.000 0.000) 8.929 16.286 ( 2.606 -0.000 -0.000) 2.606 16.961 ( -5.250 0.000 0.000) 5.250 16.976 ( 1.835 -0.000 -0.000) 1.835 17.625 ( 10.965 -0.000 -0.000) 10.965 17.745 ( 3.186 -0.000 -0.000) 3.186 18.362 ( 4.689 -0.000 -0.000) 4.689 18.845 ( 0.839 -0.000 -0.000) 0.839 18.899 ( 0.730 -0.000 -0.000) 0.730 19.395 ( -6.975 0.000 0.000) 6.975 19.654 ( 10.492 -0.000 -0.000) 10.492 ======================= Grid point 165 (115/148) ======================= q-point: (-0.31 -0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( -6.156 0.000 0.000) 6.156 3.148 ( -5.513 -0.000 -0.000) 5.513 3.543 ( -10.380 -0.000 -0.000) 10.380 3.708 ( -2.253 0.000 0.000) 2.253 4.946 ( 4.814 -0.000 0.000) 4.814 5.000 ( 7.633 0.000 -0.000) 7.633 6.256 ( -2.727 0.000 0.000) 2.727 6.310 ( -13.529 -0.000 -0.000) 13.529 7.559 ( -7.566 0.000 0.000) 7.566 7.761 ( -0.881 -0.000 -0.000) 0.881 7.805 ( -7.532 0.000 0.000) 7.532 7.926 ( -4.469 0.000 -0.000) 4.469 9.075 ( -1.229 -0.000 -0.000) 1.229 9.083 ( -4.370 0.000 0.000) 4.370 9.634 ( -4.782 -0.000 0.000) 4.782 10.205 ( -7.406 0.000 0.000) 7.406 10.395 ( 10.119 0.000 0.000) 10.119 10.642 ( 21.388 0.000 0.000) 21.388 11.704 ( -24.549 0.000 0.000) 24.549 11.798 ( -3.599 -0.000 -0.000) 3.599 12.007 ( 10.306 -0.000 -0.000) 10.306 12.171 ( -3.310 0.000 0.000) 3.310 12.764 ( 1.492 0.000 0.000) 1.492 13.367 ( 23.496 -0.000 0.000) 23.496 14.142 ( -11.152 0.000 0.000) 11.152 14.507 ( 5.820 0.000 -0.000) 5.820 14.588 ( -14.589 -0.000 0.000) 14.589 15.110 ( 6.887 -0.000 -0.000) 6.887 15.755 ( -3.707 0.000 0.000) 3.707 15.759 ( -2.428 -0.000 -0.000) 2.428 16.024 ( -11.156 0.000 0.000) 11.156 16.261 ( -4.449 0.000 0.000) 4.449 16.689 ( 10.090 0.000 0.000) 10.090 16.777 ( 9.769 0.000 0.000) 9.769 17.635 ( -2.428 0.000 0.000) 2.428 17.704 ( 0.433 -0.000 0.000) 0.433 18.075 ( -3.138 0.000 0.000) 3.138 18.190 ( 1.503 0.000 0.000) 1.503 18.659 ( 2.377 0.000 0.000) 2.377 18.727 ( 5.453 -0.000 -0.000) 5.453 19.447 ( 2.880 0.000 0.000) 2.880 19.481 ( 4.717 -0.000 0.000) 4.717 ======================= Grid point 171 (116/148) ======================= q-point: (-0.46 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 0.000 -5.741 -23.527) 24.217 2.812 ( 0.000 -10.746 -32.105) 33.855 3.829 ( -0.000 12.844 -8.824) 15.583 4.071 ( 0.000 -7.803 -6.936) 10.440 4.082 ( -0.000 16.021 16.303) 22.858 4.710 ( -0.000 8.296 0.224) 8.299 5.762 ( 0.000 -26.786 8.244) 28.026 6.807 ( -0.000 -4.279 14.473) 15.092 6.865 ( -0.000 10.974 -9.391) 14.444 7.551 ( 0.000 -3.679 -3.689) 5.210 7.701 ( -0.000 10.661 -5.092) 11.814 8.010 ( 0.000 -13.979 -10.270) 17.346 8.374 ( 0.000 -7.489 -7.602) 10.671 8.623 ( -0.000 2.671 12.882) 13.156 9.699 ( 0.000 -7.802 1.782) 8.003 10.000 ( 0.000 -1.344 -7.974) 8.086 10.242 ( -0.000 -0.115 8.947) 8.948 11.184 ( 0.000 -10.801 -13.004) 16.905 11.527 ( 0.000 0.692 -12.052) 12.072 11.891 ( -0.000 30.725 0.189) 30.725 12.453 ( -0.000 18.646 4.846) 19.265 12.784 ( -0.000 2.100 5.066) 5.484 13.313 ( -0.000 4.219 13.481) 14.126 13.440 ( -0.000 0.180 3.535) 3.540 14.067 ( -0.000 0.722 5.379) 5.427 14.384 ( 0.000 -0.664 -2.656) 2.737 14.484 ( 0.000 -2.105 -5.861) 6.228 15.023 ( 0.000 1.347 -2.263) 2.634 15.236 ( 0.000 -3.526 0.146) 3.529 15.924 ( -0.000 8.760 -1.761) 8.935 15.978 ( -0.000 8.097 0.607) 8.120 16.296 ( -0.000 5.526 -7.046) 8.954 16.985 ( 0.000 -7.498 10.157) 12.625 17.026 ( 0.000 -10.823 0.420) 10.831 17.464 ( 0.000 -3.005 -0.648) 3.074 17.563 ( -0.000 0.858 1.022) 1.334 17.920 ( 0.000 -1.683 -3.021) 3.458 18.181 ( 0.000 -1.265 -1.272) 1.793 18.485 ( 0.000 -7.676 9.114) 11.916 18.838 ( 0.000 -4.156 -1.259) 4.343 19.284 ( 0.000 -13.924 -3.680) 14.402 20.059 ( -0.000 9.176 9.978) 13.556 ======================= Grid point 174 (117/148) ======================= q-point: (-0.46 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 3.190 -0.005 -26.821) 27.010 2.644 ( 6.931 -12.509 -25.421) 29.168 3.667 ( -0.905 -3.480 -14.984) 15.409 4.353 ( -3.464 16.623 -10.375) 19.899 4.611 ( 28.350 5.025 17.409) 33.645 4.985 ( 4.857 9.307 -3.117) 10.951 5.149 ( -2.986 -24.653 11.630) 27.422 6.684 ( -4.015 -9.978 -3.264) 11.240 6.880 ( 3.174 -0.716 -1.989) 3.814 7.248 ( -18.832 -0.251 -3.048) 19.079 7.438 ( -19.784 -8.205 -12.634) 24.867 8.298 ( 21.920 11.834 -9.738) 26.746 8.643 ( 17.494 8.344 8.583) 21.197 8.811 ( 13.182 -2.649 9.008) 16.184 9.433 ( -5.685 -8.749 12.682) 16.422 10.157 ( 8.007 1.036 -2.433) 8.432 10.264 ( 10.631 -3.766 -0.462) 11.288 10.926 ( -7.506 -4.923 -16.300) 18.608 11.562 ( 3.252 -1.895 -11.814) 12.399 12.297 ( -13.324 17.244 0.149) 21.793 12.618 ( -10.237 5.564 0.278) 11.654 12.868 ( -0.696 6.553 3.189) 7.321 13.255 ( -6.947 4.886 9.292) 12.588 13.649 ( 11.223 3.706 8.697) 14.674 13.896 ( -12.652 -0.797 7.364) 14.660 14.312 ( -1.772 1.096 -1.105) 2.358 14.583 ( 9.940 -7.141 -1.317) 12.310 15.045 ( -1.084 1.595 -0.723) 2.060 15.280 ( 8.272 -1.000 0.510) 8.347 16.092 ( 1.045 1.684 -0.130) 1.986 16.125 ( 1.041 9.560 -4.696) 10.702 16.374 ( -0.595 1.626 -5.689) 5.947 16.777 ( -4.097 -6.313 4.308) 8.672 16.872 ( 0.745 -4.323 1.166) 4.539 17.331 ( -2.453 -6.333 -1.956) 7.067 17.544 ( -2.636 0.283 0.794) 2.767 17.938 ( -2.243 2.265 1.934) 3.729 18.192 ( 2.763 0.305 -4.977) 5.701 18.361 ( 1.781 -5.591 9.197) 10.909 18.768 ( 0.067 -2.231 -2.439) 3.306 19.044 ( 1.521 -8.360 0.685) 8.525 20.170 ( -4.902 6.433 11.348) 13.935 ======================= Grid point 175 (118/148) ======================= q-point: (-0.46 -0.21 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -0.696 0.000 -19.873) 19.886 2.600 ( 0.882 0.000 -23.869) 23.885 3.751 ( 6.046 0.000 -5.462) 8.148 4.381 ( -7.474 0.000 -11.314) 13.560 4.786 ( -3.545 -0.000 8.730) 9.422 5.189 ( 3.304 0.000 -2.836) 4.354 5.340 ( 24.294 -0.000 4.520) 24.711 6.491 ( 8.098 0.000 -11.959) 14.442 6.687 ( -22.079 0.000 0.919) 22.098 7.010 ( 2.895 0.000 -3.066) 4.216 7.248 ( 4.309 0.000 -5.077) 6.659 8.735 ( 4.643 -0.000 9.380) 10.466 8.947 ( 5.884 -0.000 5.614) 8.133 9.263 ( 5.869 -0.000 11.659) 13.053 9.390 ( 31.593 -0.000 1.809) 31.645 10.069 ( -5.119 -0.000 5.918) 7.825 10.656 ( -12.550 0.000 -17.515) 21.547 10.793 ( 30.995 -0.000 -13.299) 33.727 11.528 ( -7.087 0.000 -0.269) 7.092 11.993 ( -24.291 0.000 -6.122) 25.050 12.435 ( -13.868 0.000 -1.069) 13.909 12.845 ( -3.890 0.000 1.149) 4.056 13.325 ( 3.709 -0.000 7.767) 8.607 13.521 ( -20.478 0.000 9.104) 22.411 13.978 ( 14.992 -0.000 10.554) 18.335 14.321 ( -1.014 0.000 -3.061) 3.224 14.662 ( 7.080 -0.000 2.604) 7.544 15.018 ( -2.302 -0.000 2.288) 3.246 15.503 ( 12.101 -0.000 0.909) 12.135 16.119 ( 1.009 -0.000 -0.206) 1.030 16.309 ( 1.009 0.000 -8.365) 8.425 16.311 ( -1.832 0.000 0.236) 1.847 16.605 ( -6.200 0.000 -1.667) 6.420 16.887 ( 3.520 -0.000 -0.176) 3.525 17.166 ( -5.063 0.000 -1.942) 5.423 17.508 ( -0.552 0.000 -0.547) 0.777 17.824 ( -8.732 0.000 2.521) 9.088 18.298 ( 1.205 -0.000 8.378) 8.464 18.337 ( 4.374 0.000 -6.569) 7.892 18.731 ( -0.343 0.000 -5.174) 5.186 19.088 ( 8.702 -0.000 4.374) 9.739 20.104 ( -7.495 -0.000 10.315) 12.751 ======================= Grid point 187 (119/148) ======================= q-point: ( 0.40 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 0.000 -3.669 -14.666) 15.118 3.364 ( -0.000 32.823 -3.870) 33.050 3.407 ( -0.000 19.661 10.631) 22.351 3.544 ( 0.000 -3.308 -23.494) 23.725 4.552 ( 0.000 -30.935 5.783) 31.471 4.613 ( 0.000 -1.710 0.934) 1.949 6.031 ( -0.000 16.135 -3.681) 16.550 6.550 ( -0.000 4.681 1.211) 4.835 6.644 ( -0.000 -4.615 10.332) 11.316 7.509 ( -0.000 9.255 0.482) 9.268 7.654 ( 0.000 -1.390 -0.456) 1.463 8.122 ( -0.000 -7.675 12.760) 14.891 8.784 ( 0.000 -8.015 -12.936) 15.218 9.063 ( 0.000 -26.995 -17.611) 32.231 9.786 ( 0.000 -4.548 2.561) 5.219 10.064 ( -0.000 4.565 -1.828) 4.918 10.090 ( -0.000 -0.037 6.491) 6.491 10.961 ( -0.000 42.356 4.101) 42.554 11.619 ( 0.000 -10.019 -7.404) 12.458 11.908 ( -0.000 20.768 6.094) 21.644 11.939 ( 0.000 -6.264 -11.466) 13.065 12.571 ( -0.000 7.943 6.622) 10.341 13.084 ( 0.000 -7.893 11.492) 13.941 13.427 ( 0.000 -2.808 0.748) 2.906 13.958 ( -0.000 1.671 3.317) 3.714 14.447 ( 0.000 -1.413 -1.637) 2.163 14.560 ( -0.000 7.758 -5.703) 9.629 15.028 ( -0.000 1.766 -0.040) 1.767 15.352 ( 0.000 -7.806 -0.489) 7.821 15.731 ( -0.000 8.090 1.996) 8.333 15.746 ( -0.000 12.279 0.786) 12.304 16.310 ( -0.000 5.135 -4.692) 6.956 16.959 ( 0.000 -8.253 6.593) 10.563 17.255 ( 0.000 -11.364 0.094) 11.364 17.491 ( -0.000 0.787 -0.872) 1.175 17.533 ( -0.000 1.654 0.266) 1.675 18.089 ( 0.000 -5.869 -5.270) 7.888 18.219 ( 0.000 -0.795 -0.759) 1.099 18.492 ( 0.000 -7.129 7.111) 10.069 18.962 ( 0.000 -5.280 -1.309) 5.440 19.661 ( 0.000 -11.485 -3.775) 12.089 19.748 ( -0.000 4.030 4.696) 6.188 ======================= Grid point 190 (120/148) ======================= q-point: (-0.60 -0.23 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 4.042 -2.351 -17.072) 17.701 3.394 ( 1.103 -11.173 -22.339) 25.002 3.894 ( -6.405 -5.100 1.554) 8.334 4.042 ( 9.761 19.928 0.299) 22.192 4.151 ( 13.707 15.604 6.350) 21.718 4.840 ( 13.495 4.613 0.467) 14.269 5.617 ( -3.847 -31.457 2.625) 31.800 6.641 ( 6.602 -1.096 6.567) 9.376 7.032 ( -1.522 16.514 -9.683) 19.204 7.255 ( -16.072 -1.239 1.673) 16.206 7.985 ( 4.693 -6.263 10.184) 12.844 8.120 ( 10.101 5.200 -7.756) 13.756 8.260 ( -7.656 -2.925 -9.216) 12.333 9.048 ( 20.107 -9.349 -8.227) 23.651 9.359 ( -16.163 -11.673 14.901) 24.891 10.156 ( 11.689 -7.561 5.021) 14.799 10.353 ( 15.062 4.685 -4.595) 16.430 11.305 ( -5.854 -3.958 -9.456) 11.805 11.760 ( -10.264 2.061 -1.883) 10.637 11.833 ( 3.226 24.636 -4.099) 25.182 12.370 ( -1.191 17.566 -0.946) 17.632 12.672 ( -5.353 3.751 2.977) 7.183 12.913 ( -8.405 5.889 12.161) 15.912 13.505 ( 10.481 -0.702 3.027) 10.932 13.803 ( -12.373 0.214 3.484) 12.856 14.320 ( -5.743 0.192 -0.634) 5.781 14.802 ( 12.742 -7.514 -3.113) 15.117 15.013 ( -3.177 1.376 0.065) 3.463 15.323 ( 7.330 -3.282 -0.450) 8.044 15.958 ( 1.075 12.086 -0.865) 12.165 16.008 ( 3.304 7.525 -0.079) 8.219 16.418 ( -0.983 5.704 -5.831) 8.216 16.769 ( -2.805 -6.200 7.556) 10.169 16.993 ( -2.398 -8.291 -0.082) 8.631 17.467 ( -1.578 -3.383 -1.394) 3.985 17.530 ( -0.798 -0.609 1.035) 1.442 17.957 ( -1.574 -4.909 -1.919) 5.501 18.278 ( 4.574 1.084 -3.427) 5.817 18.331 ( 0.955 -6.965 6.463) 9.549 18.821 ( -2.709 -4.031 0.810) 4.924 19.336 ( -1.830 -14.532 -3.053) 14.962 19.851 ( -3.306 6.917 6.134) 9.818 ======================= Grid point 191 (121/148) ======================= q-point: (-0.60 -0.23 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( -5.982 -5.322 -15.871) 17.776 3.134 ( -0.369 -12.240 -15.639) 19.863 3.644 ( -7.982 5.590 5.590) 11.234 4.478 ( -4.723 15.548 -10.393) 19.289 4.834 ( 2.306 -5.528 4.869) 7.719 5.071 ( 5.806 -1.512 2.940) 6.682 5.312 ( 38.377 -6.284 3.790) 39.072 6.699 ( -15.862 -6.049 1.559) 17.047 6.769 ( 3.376 -0.846 -2.015) 4.022 7.245 ( -0.123 -2.909 -18.027) 18.260 7.575 ( -3.286 -9.092 -22.975) 24.926 8.232 ( 2.324 6.124 24.743) 25.596 8.685 ( -7.486 -1.171 19.666) 21.075 9.098 ( 16.725 14.131 3.245) 22.135 9.423 ( 24.591 -2.414 -7.050) 25.696 10.121 ( 6.820 -14.013 4.719) 16.283 10.831 ( 6.737 8.667 -10.053) 14.885 11.149 ( 8.231 -6.958 -11.937) 16.082 11.480 ( -16.831 -0.885 4.977) 17.574 12.102 ( -14.855 4.766 -7.961) 17.515 12.303 ( -14.366 9.699 2.896) 17.574 12.772 ( -1.158 8.138 -1.427) 8.343 13.026 ( 0.375 8.937 9.966) 13.391 13.447 ( -16.755 -4.767 5.100) 18.152 13.782 ( 14.178 0.567 6.184) 15.478 14.319 ( -0.748 6.787 -2.532) 7.283 14.758 ( 3.011 -8.742 -2.004) 9.461 14.964 ( -0.628 -4.150 5.418) 6.853 15.491 ( 10.968 0.200 -0.117) 10.970 16.126 ( 1.615 0.114 -0.233) 1.636 16.202 ( -0.423 9.012 -1.948) 9.230 16.470 ( -1.096 1.131 -5.464) 5.686 16.622 ( -3.826 -1.360 2.542) 4.791 16.891 ( 1.228 -0.585 -0.401) 1.418 17.283 ( -4.878 -6.885 -0.942) 8.491 17.519 ( 1.037 0.115 -0.090) 1.047 17.805 ( -6.503 -2.789 0.983) 7.143 18.206 ( 1.252 -4.000 4.130) 5.884 18.470 ( 4.942 2.644 -9.032) 10.630 18.811 ( 4.304 1.954 2.604) 5.397 19.068 ( 2.290 -9.694 1.558) 10.082 19.873 ( -6.047 4.763 6.264) 9.924 ======================= Grid point 194 (122/148) ======================= q-point: ( 0.40 -0.23 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -13.611 0.000 -4.799) 14.432 2.857 ( -15.527 0.000 -15.769) 22.131 3.650 ( -1.869 -0.000 13.327) 13.457 4.462 ( -6.615 0.000 -12.585) 14.218 4.745 ( 5.558 -0.000 -0.802) 5.615 5.199 ( 0.066 -0.000 4.756) 4.756 5.836 ( 8.653 0.000 -18.721) 20.624 6.276 ( -14.239 0.000 1.279) 14.296 6.979 ( 17.887 -0.000 0.743) 17.903 7.201 ( 4.770 0.000 -5.619) 7.371 7.480 ( -6.643 0.000 -11.223) 13.042 8.350 ( 3.734 -0.000 27.911) 28.160 8.697 ( 20.698 -0.000 13.702) 24.822 9.734 ( 5.256 0.000 -10.837) 12.045 9.968 ( 25.427 -0.000 1.399) 25.465 9.976 ( 7.318 -0.000 -1.886) 7.557 10.589 ( -24.722 0.000 -7.719) 25.899 11.012 ( -19.799 0.000 3.317) 20.075 11.549 ( 10.685 -0.000 -5.042) 11.815 11.781 ( -13.806 0.000 -2.694) 14.066 12.195 ( 0.294 0.000 -2.617) 2.634 12.870 ( -23.609 0.000 8.499) 25.092 12.889 ( 4.333 0.000 -4.855) 6.508 13.256 ( 4.468 -0.000 8.191) 9.330 14.076 ( 12.459 -0.000 8.966) 15.350 14.433 ( -0.580 0.000 -8.978) 8.997 14.742 ( 5.540 -0.000 1.507) 5.741 14.840 ( -2.946 -0.000 8.978) 9.449 15.733 ( 9.531 -0.000 0.070) 9.531 16.148 ( 1.366 -0.000 -0.109) 1.370 16.268 ( -1.870 0.000 0.114) 1.874 16.428 ( -3.600 0.000 -5.200) 6.324 16.501 ( -6.533 0.000 -1.131) 6.630 16.982 ( 4.764 -0.000 -0.161) 4.766 17.073 ( -5.818 0.000 -0.772) 5.869 17.538 ( -2.456 0.000 -2.017) 3.178 17.617 ( -3.227 0.000 1.677) 3.636 18.217 ( 3.163 -0.000 4.132) 5.204 18.598 ( 2.644 0.000 -12.480) 12.757 18.830 ( 0.365 0.000 -4.112) 4.128 19.199 ( 13.043 -0.000 8.380) 15.503 19.785 ( -6.838 -0.000 6.361) 9.339 ======================= Grid point 203 (123/148) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -0.000 40.935 0.000) 40.935 2.702 ( -0.000 34.644 0.000) 34.644 3.542 ( 0.000 -21.599 -0.000) 21.599 3.794 ( -0.000 0.099 0.000) 0.099 4.753 ( 0.000 -11.401 -0.000) 11.401 5.157 ( -0.000 54.680 0.000) 54.680 5.158 ( 0.000 -34.192 -0.000) 34.192 6.624 ( 0.000 -3.759 -0.000) 3.759 6.819 ( 0.000 -13.448 -0.000) 13.448 7.369 ( -0.000 3.422 0.000) 3.422 7.637 ( -0.000 2.609 0.000) 2.609 8.117 ( 0.000 -5.940 -0.000) 5.940 9.058 ( 0.000 -3.741 -0.000) 3.741 9.602 ( -0.000 25.832 0.000) 25.832 9.791 ( -0.000 2.086 0.000) 2.086 9.918 ( -0.000 8.666 0.000) 8.666 10.071 ( 0.000 -1.808 -0.000) 1.808 10.208 ( 0.000 -8.761 -0.000) 8.761 11.282 ( -0.000 26.678 0.000) 26.678 12.039 ( 0.000 -17.483 -0.000) 17.483 12.204 ( -0.000 14.025 0.000) 14.025 12.347 ( 0.000 -15.635 -0.000) 15.635 13.218 ( 0.000 -15.621 -0.000) 15.621 13.506 ( 0.000 -4.893 -0.000) 4.893 13.881 ( -0.000 2.072 0.000) 2.072 14.372 ( -0.000 16.540 0.000) 16.540 14.501 ( 0.000 -2.168 -0.000) 2.168 14.919 ( -0.000 6.081 0.000) 6.081 15.493 ( -0.000 10.754 0.000) 10.754 15.567 ( 0.000 -12.022 -0.000) 12.022 15.621 ( -0.000 0.289 0.000) 0.289 16.258 ( -0.000 3.954 0.000) 3.954 17.090 ( 0.000 -9.428 -0.000) 9.428 17.453 ( 0.000 -7.634 -0.000) 7.634 17.454 ( -0.000 6.283 0.000) 6.283 17.476 ( -0.000 1.180 0.000) 1.180 18.251 ( 0.000 -1.421 -0.000) 1.421 18.292 ( 0.000 -4.238 -0.000) 4.238 18.472 ( 0.000 -0.561 -0.000) 0.561 19.074 ( 0.000 -3.694 -0.000) 3.694 19.565 ( -0.000 5.690 0.000) 5.690 19.996 ( 0.000 -12.794 -0.000) 12.794 ======================= Grid point 204 (124/148) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 0.000 -29.469) 29.469 1.871 ( 0.000 0.000 -30.616) 30.616 2.992 ( 0.000 0.000 -39.463) 39.463 4.346 ( 0.000 0.000 -12.927) 12.927 4.760 ( -0.000 -0.000 24.383) 24.383 4.937 ( 0.000 0.000 -6.497) 6.497 5.249 ( -0.000 -0.000 19.802) 19.802 6.532 ( 0.000 0.000 -2.748) 2.748 6.935 ( -0.000 -0.000 5.963) 5.963 7.456 ( 0.000 0.000 -15.571) 15.571 7.589 ( 0.000 0.000 -3.140) 3.140 7.714 ( 0.000 0.000 -5.281) 5.281 8.337 ( -0.000 -0.000 4.718) 4.718 9.194 ( -0.000 -0.000 14.444) 14.444 9.522 ( -0.000 -0.000 6.180) 6.180 9.662 ( 0.000 0.000 -18.268) 18.268 10.418 ( -0.000 -0.000 3.136) 3.136 10.646 ( 0.000 0.000 -17.081) 17.081 11.224 ( 0.000 0.000 -8.009) 8.009 12.644 ( 0.000 0.000 -8.867) 8.867 12.843 ( -0.000 -0.000 8.451) 8.451 12.896 ( -0.000 -0.000 1.502) 1.502 13.583 ( -0.000 -0.000 5.638) 5.638 13.824 ( -0.000 -0.000 13.177) 13.177 14.225 ( -0.000 -0.000 9.802) 9.802 14.282 ( 0.000 0.000 -6.681) 6.681 14.360 ( -0.000 -0.000 3.525) 3.525 15.020 ( 0.000 0.000 -4.760) 4.760 15.188 ( -0.000 -0.000 1.166) 1.166 16.082 ( 0.000 0.000 -8.681) 8.681 16.093 ( 0.000 0.000 -0.323) 0.323 16.365 ( -0.000 -0.000 0.719) 0.719 16.801 ( -0.000 -0.000 0.710) 0.710 16.812 ( -0.000 -0.000 3.070) 3.070 17.227 ( 0.000 0.000 -2.996) 2.996 17.647 ( -0.000 -0.000 2.104) 2.104 17.985 ( 0.000 0.000 -3.471) 3.471 18.110 ( -0.000 -0.000 0.848) 0.848 18.448 ( -0.000 -0.000 7.046) 7.046 18.690 ( -0.000 -0.000 0.326) 0.326 18.989 ( -0.000 -0.000 3.100) 3.100 20.567 ( -0.000 -0.000 13.753) 13.753 ======================= Grid point 206 (125/148) ======================= q-point: ( 0.25 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 1.622 -10.627 -0.000) 10.750 3.441 ( 3.083 31.621 -0.000) 31.771 3.466 ( 19.854 31.860 -0.000) 37.540 3.722 ( -8.123 2.093 0.000) 8.388 4.442 ( -1.230 -34.271 -0.000) 34.293 4.858 ( 25.016 -6.786 -0.000) 25.920 6.038 ( -2.855 13.854 0.000) 14.145 6.442 ( -5.501 1.225 0.000) 5.636 6.746 ( 15.144 1.281 -0.000) 15.198 7.327 ( -9.115 -5.137 0.000) 10.463 7.876 ( 13.130 11.838 -0.000) 17.679 7.921 ( -6.291 -2.148 0.000) 6.647 8.846 ( -5.384 -16.679 0.000) 17.526 9.425 ( -19.023 -14.058 0.000) 23.654 9.436 ( 12.886 -17.502 -0.000) 21.734 10.208 ( 7.886 13.808 -0.000) 15.901 10.246 ( 14.418 -3.773 -0.000) 14.903 10.924 ( 2.815 38.455 0.000) 38.558 11.685 ( -11.805 14.453 0.000) 18.661 11.775 ( 5.016 -12.159 -0.000) 13.153 12.156 ( 5.645 0.774 -0.000) 5.698 12.472 ( -1.592 13.887 0.000) 13.978 12.787 ( -16.253 -8.067 0.000) 18.145 13.526 ( 9.630 -3.265 -0.000) 10.168 13.737 ( -12.282 2.478 0.000) 12.530 14.340 ( -7.190 -1.770 0.000) 7.405 14.887 ( 16.296 3.387 -0.000) 16.644 14.984 ( -3.761 2.999 0.000) 4.810 15.436 ( 6.681 -7.384 -0.000) 9.958 15.718 ( 0.965 9.336 -0.000) 9.386 15.803 ( 5.966 11.466 -0.000) 12.925 16.353 ( -0.276 5.544 0.000) 5.551 16.841 ( -4.837 -8.228 0.000) 9.545 17.160 ( -7.650 -6.584 0.000) 10.093 17.529 ( 0.371 0.284 -0.000) 0.467 17.538 ( 2.263 -3.187 -0.000) 3.908 18.145 ( -1.252 -8.261 0.000) 8.355 18.266 ( 3.490 1.592 -0.000) 3.836 18.395 ( -0.794 -5.358 0.000) 5.417 18.927 ( -4.637 -6.080 0.000) 7.646 19.663 ( -4.427 -13.516 0.000) 14.223 19.667 ( -1.719 5.695 0.000) 5.949 ======================= Grid point 207 (126/148) ======================= q-point: ( 0.25 -0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -0.618 -1.646 0.000) 1.758 3.490 ( -15.007 0.776 0.000) 15.027 3.682 ( -2.369 -25.025 0.000) 25.137 4.147 ( 0.502 23.000 0.000) 23.005 4.448 ( 10.188 25.525 -0.000) 27.483 5.435 ( 41.171 -8.894 -0.000) 42.120 5.526 ( 1.540 -31.072 -0.000) 31.111 6.696 ( -0.048 10.980 0.000) 10.981 6.870 ( -13.172 -13.308 0.000) 18.725 7.329 ( 11.508 18.443 -0.000) 21.738 7.802 ( -2.428 0.123 0.000) 2.431 8.393 ( -9.741 -6.462 0.000) 11.690 8.424 ( 5.175 -16.419 -0.000) 17.215 8.737 ( 0.197 6.359 0.000) 6.362 9.573 ( 19.305 -5.522 -0.000) 20.079 10.359 ( 10.345 -11.530 -0.000) 15.490 10.689 ( 5.057 15.162 -0.000) 15.983 11.393 ( -23.580 0.236 0.000) 23.581 11.447 ( 14.143 -1.787 -0.000) 14.256 11.876 ( -1.868 16.383 0.000) 16.490 12.228 ( -20.285 -2.736 0.000) 20.469 12.547 ( 2.111 15.383 -0.000) 15.527 12.704 ( 0.278 10.461 0.000) 10.464 13.469 ( -15.732 -1.578 0.000) 15.811 13.743 ( 14.425 -1.938 -0.000) 14.554 14.214 ( -3.806 3.838 0.000) 5.405 14.881 ( -6.865 -1.457 0.000) 7.018 15.087 ( 9.938 -9.702 -0.000) 13.889 15.513 ( 9.172 -2.410 -0.000) 9.483 15.990 ( 0.389 13.282 0.000) 13.288 16.098 ( 4.478 3.749 -0.000) 5.840 16.456 ( -1.593 5.836 0.000) 6.049 16.623 ( -3.059 -3.648 0.000) 4.761 16.930 ( -3.905 -2.419 0.000) 4.594 17.431 ( -3.423 -6.401 0.000) 7.259 17.525 ( 1.997 -1.529 -0.000) 2.515 17.924 ( -3.268 -8.599 0.000) 9.199 18.267 ( 0.410 -5.668 -0.000) 5.683 18.516 ( 11.218 7.504 -0.000) 13.497 18.690 ( -6.484 -2.460 0.000) 6.935 19.323 ( -1.906 -12.683 0.000) 12.825 19.712 ( -4.379 5.003 0.000) 6.649 ======================= Grid point 210 (127/148) ======================= q-point: ( 0.25 -0.25 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -15.529 -15.040 0.000) 21.618 3.085 ( -22.853 -1.610 0.000) 22.910 3.443 ( 2.583 -0.911 -0.000) 2.739 4.489 ( -6.299 13.488 0.000) 14.886 4.816 ( 0.844 2.425 -0.000) 2.568 5.138 ( 6.871 -9.937 -0.000) 12.081 6.123 ( 29.208 -8.293 -0.000) 30.362 6.346 ( -12.118 -9.478 0.000) 15.384 6.912 ( 7.596 7.285 -0.000) 10.525 7.468 ( -29.989 -17.458 0.000) 34.701 7.767 ( 5.948 7.123 -0.000) 9.280 7.827 ( 3.692 0.824 -0.000) 3.783 8.583 ( 32.413 -6.481 -0.000) 33.055 9.410 ( 7.258 25.023 -0.000) 26.054 9.983 ( 21.146 2.163 -0.000) 21.256 10.263 ( 6.847 -12.914 -0.000) 14.617 10.732 ( -31.957 -6.681 0.000) 32.648 10.873 ( -10.309 9.952 0.000) 14.329 11.664 ( 2.454 -5.127 -0.000) 5.684 11.804 ( -15.830 -0.535 0.000) 15.839 12.165 ( 14.581 6.477 -0.000) 15.955 12.692 ( -19.960 7.288 0.000) 21.249 12.919 ( 5.057 5.249 -0.000) 7.289 13.150 ( -2.636 -0.370 0.000) 2.662 13.995 ( 12.312 -1.569 -0.000) 12.412 14.368 ( 1.637 12.605 -0.000) 12.711 14.681 ( -7.494 -1.837 0.000) 7.716 14.990 ( 6.059 -14.586 -0.000) 15.794 15.702 ( 7.963 2.299 -0.000) 8.288 16.157 ( 0.671 1.198 -0.000) 1.373 16.196 ( -1.032 5.056 0.000) 5.160 16.479 ( -5.131 1.753 0.000) 5.422 16.527 ( -2.337 -2.243 0.000) 3.239 16.917 ( 0.297 4.182 0.000) 4.193 17.177 ( -5.039 -6.984 0.000) 8.612 17.580 ( 4.092 0.117 -0.000) 4.093 17.654 ( -5.944 -7.788 0.000) 9.797 18.210 ( 2.812 -2.979 -0.000) 4.097 18.653 ( -1.121 6.565 0.000) 6.660 18.973 ( 15.784 6.808 -0.000) 17.190 19.065 ( 0.530 -11.596 -0.000) 11.608 19.684 ( -6.489 3.435 0.000) 7.342 ======================= Grid point 211 (128/148) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -22.645 0.000 0.000) 22.645 2.517 ( -27.315 0.000 0.000) 27.315 3.404 ( -8.904 0.000 0.000) 8.904 4.450 ( -8.581 0.000 0.000) 8.581 4.886 ( 1.199 -0.000 -0.000) 1.199 5.236 ( 14.534 -0.000 -0.000) 14.534 6.040 ( -6.987 0.000 0.000) 6.987 6.361 ( 9.003 -0.000 -0.000) 9.003 6.658 ( -26.308 0.000 0.000) 26.308 7.162 ( 1.974 -0.000 -0.000) 1.974 7.928 ( 1.832 -0.000 -0.000) 1.832 8.080 ( 19.528 -0.000 -0.000) 19.528 9.354 ( 41.271 -0.000 -0.000) 41.271 9.506 ( -36.959 0.000 0.000) 36.959 10.021 ( -10.316 0.000 0.000) 10.316 10.359 ( 10.397 -0.000 -0.000) 10.397 10.437 ( 16.288 -0.000 -0.000) 16.288 10.774 ( -6.981 0.000 0.000) 6.981 11.265 ( -26.319 0.000 0.000) 26.319 11.522 ( -10.161 0.000 0.000) 10.161 12.211 ( -23.536 0.000 0.000) 23.536 12.774 ( 31.708 -0.000 -0.000) 31.708 13.113 ( 7.430 -0.000 -0.000) 7.430 13.218 ( 2.625 -0.000 -0.000) 2.625 14.197 ( 8.373 -0.000 -0.000) 8.373 14.533 ( -4.604 0.000 0.000) 4.604 14.682 ( 3.325 -0.000 -0.000) 3.325 14.849 ( 5.586 -0.000 -0.000) 5.586 15.858 ( 1.501 -0.000 -0.000) 1.501 16.165 ( -0.438 0.000 0.000) 0.438 16.246 ( 0.622 -0.000 -0.000) 0.622 16.309 ( -9.813 0.000 0.000) 9.813 16.395 ( -6.640 0.000 0.000) 6.640 16.982 ( -2.720 0.000 0.000) 2.720 17.044 ( -0.817 0.000 0.000) 0.817 17.473 ( 1.427 -0.000 -0.000) 1.427 17.668 ( 3.983 -0.000 -0.000) 3.983 18.264 ( 4.527 -0.000 -0.000) 4.527 18.820 ( 1.423 -0.000 -0.000) 1.423 18.884 ( 0.678 -0.000 -0.000) 0.678 19.362 ( 13.241 -0.000 -0.000) 13.241 19.579 ( -6.443 0.000 0.000) 6.443 ======================= Grid point 212 (129/148) ======================= q-point: (-0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( -0.006 -15.078 0.000) 15.078 3.208 ( 0.006 15.078 0.000) 15.078 3.692 ( -0.424 -16.680 -0.000) 16.685 3.692 ( 0.424 16.680 0.000) 16.685 4.900 ( -0.018 -40.157 0.000) 40.157 4.900 ( 0.018 40.157 -0.000) 40.157 6.352 ( -0.592 -17.503 -0.000) 17.513 6.352 ( 0.592 17.503 0.000) 17.513 7.716 ( -0.611 -22.665 0.000) 22.673 7.716 ( 0.611 22.665 -0.000) 22.673 7.949 ( -0.232 -19.779 0.000) 19.780 7.949 ( 0.232 19.779 0.000) 19.781 9.148 ( -0.009 -21.330 0.000) 21.330 9.148 ( 0.009 21.330 -0.000) 21.330 9.888 ( -19.245 -5.246 0.000) 19.947 9.888 ( 19.245 5.246 0.000) 19.947 10.385 ( -2.893 -11.643 0.000) 11.997 10.385 ( 2.893 11.643 0.000) 11.997 11.872 ( -0.505 -15.323 0.000) 15.331 11.872 ( 0.505 15.323 0.000) 15.331 12.133 ( -6.629 -4.798 0.000) 8.183 12.133 ( 6.629 4.798 -0.000) 8.183 12.897 ( -14.535 -2.260 0.000) 14.710 12.897 ( 14.535 2.260 0.000) 14.710 14.351 ( -3.188 -10.398 0.000) 10.876 14.351 ( 3.188 10.398 0.000) 10.876 14.894 ( -8.631 -5.705 0.000) 10.346 14.894 ( 8.631 5.705 -0.000) 10.346 15.791 ( -0.004 -6.189 0.000) 6.189 15.791 ( 0.004 6.189 0.000) 6.189 16.239 ( -3.782 -5.870 0.000) 6.983 16.239 ( 3.782 5.870 0.000) 6.983 16.615 ( -2.611 -1.980 0.000) 3.277 16.615 ( 2.611 1.980 0.000) 3.277 17.679 ( -0.169 -8.622 0.000) 8.623 17.679 ( 0.169 8.622 0.000) 8.623 18.143 ( -1.273 -2.793 0.000) 3.069 18.143 ( 1.273 2.793 0.000) 3.069 18.646 ( -0.165 -8.514 0.000) 8.515 18.646 ( 0.165 8.514 0.000) 8.515 19.423 ( -0.093 -2.997 0.000) 2.999 19.423 ( 0.093 2.997 0.000) 2.999 ======================= Grid point 223 (130/148) ======================= q-point: (-0.40 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 0.000 0.515 -26.128) 26.133 2.577 ( 0.000 -11.205 -29.353) 31.419 3.688 ( 0.000 -5.810 -20.616) 21.419 4.257 ( -0.000 3.448 22.118) 22.385 4.409 ( -0.000 18.229 -11.212) 21.401 4.937 ( -0.000 10.845 -4.486) 11.736 5.189 ( 0.000 -24.980 12.727) 28.035 6.732 ( -0.000 -2.932 15.045) 15.328 6.821 ( 0.000 -9.051 -13.870) 16.562 7.597 ( -0.000 3.920 -5.152) 6.474 7.832 ( 0.000 -4.554 -13.899) 14.626 7.891 ( 0.000 6.483 -11.872) 13.527 8.260 ( 0.000 -2.472 -0.362) 2.498 8.732 ( -0.000 6.262 20.965) 21.880 9.497 ( 0.000 -9.961 6.818) 12.071 9.999 ( 0.000 0.479 -14.555) 14.563 10.215 ( -0.000 -1.496 15.511) 15.583 11.019 ( 0.000 -5.418 -14.367) 15.355 11.511 ( 0.000 -0.402 -16.497) 16.502 12.453 ( -0.000 21.101 0.281) 21.102 12.760 ( -0.000 10.891 2.069) 11.086 12.799 ( -0.000 -0.436 2.896) 2.929 13.450 ( -0.000 7.137 14.734) 16.372 13.454 ( -0.000 1.022 5.210) 5.310 14.054 ( -0.000 -1.698 8.378) 8.548 14.387 ( 0.000 0.705 -4.373) 4.430 14.387 ( 0.000 -5.359 -1.826) 5.661 15.060 ( -0.000 1.575 -1.836) 2.419 15.185 ( 0.000 -1.665 0.725) 1.816 16.081 ( -0.000 2.359 -0.008) 2.359 16.111 ( -0.000 9.277 -4.684) 10.393 16.381 ( 0.000 1.635 -5.658) 5.889 16.835 ( 0.000 -6.268 6.549) 9.065 16.849 ( 0.000 -6.030 0.525) 6.053 17.357 ( 0.000 -6.203 -2.021) 6.524 17.588 ( -0.000 1.509 1.649) 2.236 17.948 ( -0.000 3.535 -0.368) 3.554 18.155 ( 0.000 -0.988 -3.161) 3.311 18.345 ( -0.000 -5.767 9.883) 11.443 18.770 ( 0.000 -2.498 -2.122) 3.278 19.032 ( 0.000 -9.823 -0.194) 9.825 20.224 ( -0.000 6.451 12.348) 13.931 ======================= Grid point 224 (131/148) ======================= q-point: (-0.40 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 0.129 0.000 -25.582) 25.583 2.501 ( 7.778 0.000 -26.493) 27.611 3.656 ( 2.044 0.000 -20.142) 20.245 4.530 ( -6.090 0.000 -11.804) 13.282 4.644 ( 30.969 -0.000 20.036) 36.885 4.869 ( -3.642 -0.000 12.567) 13.084 5.109 ( 3.896 0.000 -4.930) 6.284 6.559 ( -6.867 0.000 -10.351) 12.422 6.874 ( 8.576 -0.000 3.705) 9.342 7.211 ( -26.437 0.000 0.645) 26.445 7.384 ( -16.798 0.000 -14.491) 22.185 8.433 ( 24.170 -0.000 -15.550) 28.740 8.717 ( 30.996 -0.000 2.085) 31.066 8.809 ( 1.285 -0.000 21.085) 21.124 9.324 ( -4.976 -0.000 13.719) 14.593 10.159 ( -3.391 -0.000 13.486) 13.906 10.229 ( 20.341 -0.000 -15.146) 25.360 10.876 ( -7.833 0.000 -16.721) 18.465 11.546 ( 2.247 0.000 -12.723) 12.920 12.468 ( -17.703 0.000 1.667) 17.782 12.675 ( -8.186 0.000 -2.467) 8.550 12.944 ( -1.128 -0.000 1.877) 2.190 13.310 ( -5.177 -0.000 8.800) 10.210 13.696 ( 10.904 -0.000 10.843) 15.377 13.879 ( -12.953 0.000 9.133) 15.849 14.333 ( 0.086 0.000 -1.157) 1.160 14.498 ( 7.762 -0.000 -1.070) 7.836 15.059 ( -1.479 0.000 0.422) 1.538 15.271 ( 8.987 -0.000 0.831) 9.026 16.104 ( 0.450 -0.000 -0.248) 0.514 16.275 ( 1.814 0.000 -8.492) 8.683 16.343 ( -1.079 0.000 0.307) 1.122 16.713 ( -3.973 0.000 0.228) 3.979 16.827 ( 2.275 -0.000 0.314) 2.297 17.251 ( -2.813 0.000 -2.307) 3.638 17.553 ( -3.490 0.000 0.505) 3.527 17.966 ( -4.182 0.000 3.137) 5.228 18.220 ( 5.907 0.000 -5.868) 8.327 18.279 ( 0.543 -0.000 9.140) 9.157 18.738 ( -0.259 0.000 -4.488) 4.495 18.959 ( 3.491 -0.000 3.981) 5.295 20.240 ( -4.902 -0.000 12.439) 13.370 ======================= Grid point 239 (132/148) ======================= q-point: (-0.54 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 0.000 -2.465 -18.490) 18.654 3.395 ( 0.000 -12.563 -26.386) 29.224 3.764 ( -0.000 10.129 15.029) 18.123 3.967 ( -0.000 10.256 -3.045) 10.698 4.126 ( -0.000 6.720 0.382) 6.731 4.725 ( -0.000 12.427 -0.985) 12.466 5.665 ( 0.000 -31.992 2.005) 32.055 6.547 ( -0.000 -4.762 10.613) 11.633 7.055 ( -0.000 22.128 -9.644) 24.138 7.585 ( 0.000 -2.200 0.756) 2.326 7.741 ( -0.000 13.186 -0.210) 13.188 7.991 ( -0.000 -4.659 10.385) 11.382 8.587 ( 0.000 -10.682 -11.457) 15.664 8.643 ( 0.000 -13.976 -13.330) 19.314 9.607 ( 0.000 -11.919 5.889) 13.294 9.984 ( -0.000 -7.342 15.166) 16.850 10.164 ( -0.000 4.635 -7.052) 8.439 11.393 ( 0.000 -9.550 -7.800) 12.330 11.758 ( -0.000 18.145 -9.136) 20.315 11.897 ( -0.000 17.148 -1.413) 17.206 12.368 ( -0.000 21.232 3.489) 21.516 12.712 ( -0.000 4.455 1.107) 4.590 13.039 ( -0.000 3.344 13.831) 14.230 13.383 ( 0.000 -1.487 2.173) 2.633 13.966 ( -0.000 -1.248 4.215) 4.396 14.434 ( 0.000 0.361 -2.057) 2.088 14.581 ( 0.000 -4.613 -3.854) 6.011 15.059 ( -0.000 1.122 -1.250) 1.680 15.233 ( 0.000 -4.090 0.085) 4.091 15.947 ( -0.000 12.080 -0.623) 12.096 15.968 ( -0.000 8.619 0.389) 8.628 16.430 ( -0.000 5.989 -6.247) 8.654 16.798 ( 0.000 -7.016 8.366) 10.918 17.019 ( 0.000 -10.940 0.215) 10.942 17.483 ( 0.000 -2.255 -1.175) 2.543 17.546 ( -0.000 0.322 0.607) 0.687 17.973 ( 0.000 -4.282 -2.413) 4.915 18.215 ( 0.000 0.459 -1.657) 1.720 18.329 ( 0.000 -8.224 6.313) 10.368 18.852 ( 0.000 -4.969 -0.182) 4.972 19.358 ( 0.000 -15.668 -3.317) 16.015 19.887 ( -0.000 7.154 6.845) 9.901 ======================= Grid point 240 (133/148) ======================= q-point: (-0.54 -0.29 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 2.597 1.051 -19.404) 19.605 3.075 ( 2.084 -14.714 -17.270) 22.784 3.843 ( -8.393 3.536 -3.776) 9.860 4.272 ( 33.629 3.352 13.161) 36.268 4.572 ( -2.199 18.217 -8.173) 20.087 4.958 ( -2.319 -18.069 5.052) 18.905 5.060 ( 2.493 2.107 -0.961) 3.403 6.587 ( 10.081 -2.831 6.250) 12.195 7.060 ( -10.981 -2.386 -8.339) 13.993 7.323 ( -11.816 -4.408 -8.376) 15.140 7.772 ( -14.695 -5.891 -14.362) 21.375 8.227 ( -0.483 6.965 13.583) 15.272 8.472 ( 22.936 13.704 0.721) 26.728 8.891 ( 24.420 -5.966 -9.055) 26.719 9.143 ( -14.597 -9.437 16.180) 23.747 9.970 ( 7.617 -8.386 11.227) 15.949 10.442 ( 18.000 3.337 -8.578) 20.217 11.197 ( -4.534 -4.389 -10.501) 12.252 11.735 ( -6.563 -0.443 -4.974) 8.246 12.353 ( -8.982 18.227 -5.542) 21.062 12.604 ( -10.903 5.769 0.312) 12.339 12.808 ( 0.162 9.157 2.448) 9.479 13.042 ( -4.855 5.233 11.785) 13.779 13.507 ( 11.075 0.703 5.281) 12.290 13.768 ( -12.210 -3.139 5.142) 13.616 14.353 ( -2.741 2.809 -2.398) 4.600 14.625 ( 8.300 -8.382 -2.900) 12.147 15.017 ( -3.163 -0.681 3.049) 4.445 15.278 ( 8.425 -1.369 -0.124) 8.536 16.094 ( 1.216 1.877 -0.058) 2.238 16.196 ( 0.838 10.125 -2.498) 10.462 16.482 ( -0.188 -1.314 -4.896) 5.073 16.694 ( -2.884 0.080 3.798) 4.769 16.862 ( 1.452 -4.075 0.126) 4.328 17.364 ( -2.668 -6.043 -1.417) 6.756 17.532 ( -1.879 0.841 0.475) 2.112 17.910 ( -3.204 -0.131 0.822) 3.310 18.187 ( 0.531 -5.313 5.370) 7.573 18.322 ( 7.383 1.699 -4.971) 9.061 18.777 ( -0.282 0.159 1.518) 1.552 19.052 ( -0.054 -12.683 -1.182) 12.738 19.977 ( -3.604 4.946 7.555) 9.723 ======================= Grid point 243 (134/148) ======================= q-point: (-0.54 -0.29 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -7.411 0.000 -11.455) 13.643 3.050 ( -1.689 0.000 -21.354) 21.420 3.727 ( -7.120 -0.000 6.891) 9.909 4.569 ( -2.964 0.000 -5.702) 6.427 4.714 ( -2.950 0.000 -2.463) 3.843 5.196 ( 0.622 -0.000 2.288) 2.371 5.221 ( 44.857 -0.000 6.254) 45.291 6.663 ( -22.204 0.000 1.079) 22.231 6.732 ( 5.614 0.000 -7.640) 9.481 7.147 ( 3.693 0.000 -14.636) 15.095 7.524 ( -1.591 0.000 -21.047) 21.107 8.297 ( 0.667 -0.000 25.231) 25.239 8.662 ( -13.041 -0.000 24.409) 27.674 9.348 ( 24.250 -0.000 -11.960) 27.039 9.356 ( 31.480 -0.000 1.472) 31.515 9.933 ( 1.039 -0.000 7.162) 7.237 10.981 ( -11.965 0.000 -14.635) 18.903 11.016 ( 29.770 -0.000 -8.714) 31.019 11.468 ( -18.976 0.000 5.274) 19.695 12.138 ( -19.716 0.000 -6.679) 20.817 12.427 ( -14.437 0.000 1.215) 14.488 12.845 ( -0.886 0.000 -1.675) 1.895 13.158 ( 4.607 -0.000 8.856) 9.982 13.361 ( -21.044 0.000 6.540) 22.037 13.791 ( 13.920 -0.000 7.509) 15.816 14.431 ( 0.799 0.000 -7.500) 7.542 14.623 ( 5.592 -0.000 1.360) 5.755 14.920 ( -4.319 -0.000 7.071) 8.286 15.496 ( 12.045 -0.000 0.013) 12.045 16.122 ( 0.981 -0.000 -0.123) 0.988 16.309 ( -1.828 0.000 0.045) 1.829 16.454 ( 0.792 0.000 -5.825) 5.879 16.627 ( -5.121 0.000 -0.664) 5.163 16.889 ( 3.671 -0.000 -0.120) 3.673 17.196 ( -5.398 0.000 -1.073) 5.503 17.525 ( 0.472 0.000 -0.880) 0.999 17.780 ( -8.272 0.000 1.742) 8.454 18.161 ( 2.099 -0.000 5.065) 5.483 18.510 ( 6.316 0.000 -10.726) 12.448 18.824 ( 0.182 0.000 -3.759) 3.763 18.963 ( 8.112 -0.000 8.712) 11.903 19.925 ( -6.092 -0.000 7.034) 9.306 ======================= Grid point 255 (135/148) ======================= q-point: ( 0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 0.000 -12.410 -0.000) 12.410 3.202 ( -0.000 29.074 0.000) 29.074 3.408 ( -0.000 34.290 0.000) 34.290 3.817 ( -0.000 2.240 0.000) 2.240 4.456 ( 0.000 -33.921 -0.000) 33.921 4.605 ( 0.000 -1.597 -0.000) 1.597 6.079 ( -0.000 17.900 0.000) 17.900 6.535 ( -0.000 3.092 0.000) 3.092 6.537 ( 0.000 -4.715 -0.000) 4.715 7.502 ( -0.000 9.401 0.000) 9.401 7.657 ( 0.000 -1.648 -0.000) 1.648 7.987 ( 0.000 -6.424 -0.000) 6.424 8.930 ( 0.000 -8.722 -0.000) 8.722 9.277 ( 0.000 -26.542 -0.000) 26.542 9.739 ( 0.000 -6.828 -0.000) 6.828 9.984 ( 0.000 -7.399 -0.000) 7.399 10.092 ( -0.000 8.084 0.000) 8.084 10.926 ( -0.000 48.173 0.000) 48.173 11.711 ( 0.000 -14.201 -0.000) 14.201 11.828 ( -0.000 26.395 0.000) 26.395 12.074 ( 0.000 -10.465 -0.000) 10.465 12.492 ( -0.000 13.839 0.000) 13.839 12.958 ( 0.000 -9.298 -0.000) 9.298 13.419 ( 0.000 -3.572 -0.000) 3.572 13.923 ( -0.000 1.506 0.000) 1.506 14.464 ( 0.000 -1.320 -0.000) 1.320 14.618 ( -0.000 6.117 0.000) 6.117 15.029 ( -0.000 4.122 0.000) 4.122 15.357 ( 0.000 -8.219 -0.000) 8.219 15.708 ( -0.000 8.784 0.000) 8.784 15.738 ( -0.000 12.534 0.000) 12.534 16.356 ( -0.000 6.036 0.000) 6.036 16.893 ( 0.000 -9.744 -0.000) 9.744 17.254 ( 0.000 -11.447 -0.000) 11.447 17.502 ( -0.000 1.029 0.000) 1.029 17.530 ( -0.000 1.532 0.000) 1.532 18.159 ( 0.000 -8.109 -0.000) 8.109 18.226 ( 0.000 -0.681 -0.000) 0.681 18.403 ( 0.000 -5.787 -0.000) 5.787 18.975 ( 0.000 -5.837 -0.000) 5.837 19.685 ( -0.000 6.225 0.000) 6.225 19.714 ( 0.000 -14.943 -0.000) 14.943 ======================= Grid point 256 (136/148) ======================= q-point: ( 0.31 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 2.841 -0.727 -0.000) 2.932 3.736 ( -2.215 -26.103 0.000) 26.197 3.754 ( -8.009 4.278 0.000) 9.080 3.985 ( 28.262 14.388 -0.000) 31.713 4.135 ( 0.486 27.001 0.000) 27.005 4.837 ( 11.986 5.776 -0.000) 13.305 5.593 ( -4.447 -33.321 0.000) 33.617 6.575 ( 10.027 -1.523 -0.000) 10.142 7.186 ( 1.678 31.920 0.000) 31.964 7.207 ( -18.365 -6.098 0.000) 19.351 7.809 ( 0.728 -8.390 -0.000) 8.422 8.160 ( 19.713 14.245 -0.000) 24.321 8.490 ( -9.455 -16.018 0.000) 18.601 9.132 ( -24.990 -13.298 0.000) 28.308 9.163 ( 19.085 -10.175 -0.000) 21.628 10.084 ( 15.482 -11.373 -0.000) 19.210 10.411 ( 14.880 7.542 -0.000) 16.682 11.404 ( -4.501 -1.623 0.000) 4.784 11.778 ( -13.229 -0.463 0.000) 13.237 11.868 ( 1.975 28.612 0.000) 28.680 12.402 ( 4.289 17.553 -0.000) 18.069 12.685 ( -13.940 -1.861 0.000) 14.064 12.726 ( -1.747 10.609 0.000) 10.752 13.475 ( 10.049 -1.739 -0.000) 10.198 13.766 ( -12.268 -0.388 0.000) 12.274 14.327 ( -6.630 0.864 0.000) 6.686 14.839 ( 13.117 -6.785 -0.000) 14.768 15.006 ( -4.930 -0.746 0.000) 4.986 15.329 ( 7.589 -3.475 -0.000) 8.346 15.966 ( 1.384 13.200 -0.000) 13.272 16.008 ( 3.624 7.944 -0.000) 8.732 16.490 ( -1.469 7.758 0.000) 7.896 16.679 ( -1.927 -7.547 0.000) 7.790 16.994 ( -2.128 -8.372 0.000) 8.639 17.483 ( -1.505 -3.337 0.000) 3.661 17.520 ( -1.130 -0.457 0.000) 1.219 17.982 ( -1.957 -6.661 0.000) 6.942 18.260 ( 0.546 -6.949 -0.000) 6.971 18.318 ( 6.927 3.059 -0.000) 7.573 18.808 ( -4.107 -5.063 0.000) 6.519 19.369 ( -2.073 -15.120 0.000) 15.261 19.788 ( -2.606 6.073 0.000) 6.609 ======================= Grid point 259 (137/148) ======================= q-point: ( 0.31 0.69 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( -9.251 -11.443 0.000) 14.714 3.339 ( 6.162 -3.443 -0.000) 7.058 3.532 ( -19.349 3.087 0.000) 19.593 4.599 ( -4.159 17.619 0.000) 18.103 4.786 ( 3.916 -2.721 -0.000) 4.768 5.016 ( 11.474 -5.762 -0.000) 12.839 5.280 ( 36.935 -6.553 -0.000) 37.511 6.678 ( -19.144 -4.713 0.000) 19.715 6.785 ( 7.888 0.900 -0.000) 7.940 7.632 ( 5.188 -15.518 -0.000) 16.362 7.681 ( 3.310 12.589 -0.000) 13.017 8.171 ( 5.373 -8.006 -0.000) 9.642 8.210 ( -30.104 -3.261 0.000) 30.280 9.082 ( 21.411 18.935 -0.000) 28.583 9.507 ( 23.618 -1.343 -0.000) 23.656 10.067 ( 9.626 -15.822 -0.000) 18.520 10.936 ( 11.528 10.226 -0.000) 15.410 11.313 ( 10.358 -8.185 -0.000) 13.201 11.386 ( -25.486 -0.460 0.000) 25.490 12.206 ( -21.510 -0.076 0.000) 21.510 12.249 ( -10.155 15.155 0.000) 18.243 12.854 ( 1.597 13.844 -0.000) 13.936 12.855 ( 0.773 4.180 -0.000) 4.251 13.393 ( -17.105 -5.805 0.000) 18.063 13.718 ( 13.528 -0.552 -0.000) 13.539 14.349 ( -0.037 9.138 0.000) 9.138 14.840 ( -7.178 -2.096 0.000) 7.477 14.844 ( 7.773 -13.179 -0.000) 15.300 15.493 ( 10.880 0.038 -0.000) 10.880 16.128 ( 1.717 -0.049 -0.000) 1.718 16.221 ( -0.804 8.412 0.000) 8.451 16.552 ( -0.052 -3.187 -0.000) 3.187 16.572 ( -3.892 5.112 0.000) 6.425 16.896 ( 1.443 -0.778 -0.000) 1.640 17.293 ( -5.232 -6.860 0.000) 8.627 17.520 ( 1.287 0.852 -0.000) 1.544 17.796 ( -6.512 -3.705 0.000) 7.492 18.160 ( 1.934 -4.401 -0.000) 4.807 18.649 ( 14.511 5.115 -0.000) 15.386 18.693 ( -2.597 3.008 0.000) 3.974 19.060 ( -0.100 -12.637 -0.000) 12.637 19.809 ( -5.280 4.022 0.000) 6.637 ======================= Grid point 261 (138/148) ======================= q-point: ( 0.31 -0.31 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -16.848 0.000 0.000) 16.848 3.070 ( -25.228 0.000 0.000) 25.228 3.457 ( 2.592 -0.000 -0.000) 2.592 4.630 ( -8.269 0.000 0.000) 8.269 4.748 ( 8.967 -0.000 -0.000) 8.967 5.119 ( -0.474 0.000 0.000) 0.474 6.035 ( 27.628 -0.000 -0.000) 27.628 6.265 ( -14.543 0.000 0.000) 14.543 6.981 ( 11.580 -0.000 -0.000) 11.580 7.245 ( -24.595 0.000 0.000) 24.595 7.841 ( 2.679 -0.000 -0.000) 2.679 7.855 ( 0.070 -0.000 -0.000) 0.070 8.517 ( 33.989 -0.000 -0.000) 33.989 9.841 ( -2.969 0.000 0.000) 2.969 9.953 ( 25.706 -0.000 -0.000) 25.706 10.011 ( 22.806 -0.000 -0.000) 22.806 10.662 ( -39.540 0.000 0.000) 39.540 10.984 ( -10.084 0.000 0.000) 10.084 11.596 ( 4.670 -0.000 -0.000) 4.670 11.802 ( -16.358 0.000 0.000) 16.358 12.235 ( 8.777 -0.000 -0.000) 8.777 12.772 ( -27.138 0.000 0.000) 27.138 12.970 ( 5.653 -0.000 -0.000) 5.653 13.142 ( 4.456 -0.000 -0.000) 4.456 13.981 ( 11.794 -0.000 -0.000) 11.794 14.612 ( 3.314 -0.000 -0.000) 3.314 14.660 ( -7.110 0.000 0.000) 7.110 14.727 ( 5.901 -0.000 -0.000) 5.901 15.733 ( 9.521 -0.000 -0.000) 9.521 16.149 ( 1.363 -0.000 -0.000) 1.363 16.267 ( -1.928 0.000 0.000) 1.928 16.496 ( -7.789 0.000 0.000) 7.789 16.498 ( -2.912 0.000 0.000) 2.912 16.983 ( 4.828 -0.000 -0.000) 4.828 17.081 ( -5.994 0.000 0.000) 5.994 17.573 ( -8.665 0.000 0.000) 8.665 17.587 ( 3.493 -0.000 -0.000) 3.493 18.176 ( 3.683 -0.000 -0.000) 3.683 18.793 ( 0.924 -0.000 -0.000) 0.924 18.872 ( 0.520 -0.000 -0.000) 0.520 19.044 ( 16.124 -0.000 -0.000) 16.124 19.724 ( -6.713 0.000 0.000) 6.713 ======================= Grid point 273 (139/148) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 0.000 0.000 -26.710) 26.710 2.444 ( 0.000 0.000 -27.369) 27.369 3.650 ( 0.000 0.000 -27.620) 27.620 4.286 ( -0.000 -0.000 23.372) 23.372 4.603 ( 0.000 0.000 -11.652) 11.652 4.912 ( -0.000 -0.000 13.502) 13.502 5.058 ( 0.000 0.000 -5.654) 5.654 6.700 ( -0.000 -0.000 15.340) 15.340 6.705 ( 0.000 0.000 -14.187) 14.187 7.624 ( 0.000 0.000 -0.425) 0.425 7.799 ( 0.000 0.000 -18.938) 18.938 7.945 ( 0.000 0.000 -15.865) 15.865 8.257 ( -0.000 -0.000 3.432) 3.432 8.807 ( -0.000 -0.000 22.764) 22.764 9.379 ( -0.000 -0.000 8.370) 8.370 10.005 ( 0.000 0.000 -16.169) 16.169 10.199 ( -0.000 -0.000 17.446) 17.446 10.964 ( 0.000 0.000 -14.789) 14.789 11.510 ( 0.000 0.000 -17.553) 17.553 12.704 ( -0.000 -0.000 4.719) 4.719 12.763 ( 0.000 0.000 -3.159) 3.159 12.874 ( -0.000 -0.000 0.667) 0.667 13.469 ( -0.000 -0.000 5.874) 5.874 13.534 ( -0.000 -0.000 16.272) 16.272 14.029 ( -0.000 -0.000 9.747) 9.747 14.325 ( 0.000 0.000 -0.513) 0.513 14.397 ( 0.000 0.000 -4.946) 4.946 15.077 ( 0.000 0.000 -0.767) 0.767 15.167 ( -0.000 -0.000 0.955) 0.955 16.099 ( 0.000 0.000 -0.267) 0.267 16.252 ( 0.000 0.000 -8.192) 8.192 16.354 ( -0.000 -0.000 0.346) 0.346 16.771 ( -0.000 -0.000 0.970) 0.970 16.788 ( -0.000 -0.000 0.553) 0.553 17.281 ( 0.000 0.000 -2.437) 2.437 17.607 ( -0.000 -0.000 1.901) 1.901 17.999 ( -0.000 -0.000 1.784) 1.784 18.149 ( 0.000 0.000 -4.601) 4.601 18.274 ( -0.000 -0.000 9.390) 9.390 18.741 ( 0.000 0.000 -4.224) 4.224 18.927 ( -0.000 -0.000 3.303) 3.303 20.294 ( -0.000 -0.000 13.471) 13.471 ======================= Grid point 290 (140/148) ======================= q-point: (-0.48 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 0.000 1.786 -20.575) 20.652 3.070 ( 0.000 -15.271 -19.616) 24.859 3.858 ( -0.000 1.341 18.000) 18.050 3.969 ( 0.000 4.340 -7.996) 9.098 4.601 ( -0.000 20.476 -7.814) 21.916 5.010 ( -0.000 12.470 -2.713) 12.761 5.016 ( 0.000 -28.027 5.104) 28.488 6.461 ( -0.000 -3.444 11.070) 11.593 7.132 ( 0.000 -7.039 -16.641) 18.069 7.642 ( 0.000 0.376 -1.127) 1.188 8.000 ( -0.000 6.672 6.466) 9.291 8.018 ( -0.000 13.002 -1.568) 13.096 8.382 ( 0.000 -8.691 -10.091) 13.317 8.472 ( 0.000 -3.800 -2.745) 4.687 9.349 ( 0.000 -11.948 7.443) 14.076 9.857 ( -0.000 -4.356 18.867) 19.364 10.239 ( 0.000 2.611 -9.175) 9.539 11.247 ( 0.000 -4.753 -8.433) 9.680 11.796 ( 0.000 0.316 -10.891) 10.896 12.463 ( -0.000 22.096 -1.943) 22.181 12.728 ( -0.000 13.314 1.149) 13.364 12.764 ( -0.000 1.474 -0.131) 1.480 13.148 ( -0.000 5.231 15.460) 16.321 13.365 ( -0.000 -0.317 3.558) 3.572 13.911 ( -0.000 -3.472 5.577) 6.569 14.449 ( 0.000 -6.470 -3.823) 7.516 14.455 ( 0.000 1.286 -2.469) 2.784 15.063 ( -0.000 -0.517 1.107) 1.222 15.173 ( 0.000 -1.987 0.421) 2.031 16.081 ( -0.000 2.755 0.008) 2.755 16.183 ( -0.000 10.493 -2.552) 10.799 16.483 ( 0.000 -2.626 -4.377) 5.104 16.730 ( -0.000 1.551 4.051) 4.337 16.841 ( 0.000 -6.074 0.271) 6.080 17.393 ( 0.000 -5.708 -1.544) 5.913 17.562 ( -0.000 1.119 0.984) 1.491 17.942 ( -0.000 0.730 0.405) 0.835 18.182 ( 0.000 -5.718 6.101) 8.362 18.232 ( 0.000 1.019 -3.603) 3.744 18.785 ( 0.000 -0.942 0.466) 1.051 19.054 ( 0.000 -13.442 -1.680) 13.546 20.016 ( -0.000 5.036 8.090) 9.530 ======================= Grid point 293 (141/148) ======================= q-point: (-0.48 -0.35 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -3.129 0.000 -16.127) 16.427 2.968 ( 7.216 0.000 -20.004) 21.265 3.918 ( -8.079 0.000 -7.042) 10.717 4.303 ( 34.769 -0.000 13.980) 37.474 4.613 ( -1.722 -0.000 4.031) 4.383 4.809 ( -4.537 0.000 -6.526) 7.949 5.170 ( 1.595 -0.000 -1.210) 2.002 6.553 ( 10.346 -0.000 5.428) 11.684 7.067 ( 3.005 0.000 -17.700) 17.953 7.189 ( -26.663 0.000 1.205) 26.690 7.733 ( -17.441 0.000 -17.841) 24.950 8.313 ( -1.019 -0.000 19.369) 19.396 8.681 ( 31.455 -0.000 1.488) 31.490 8.801 ( 23.520 -0.000 -13.399) 27.069 9.018 ( -14.076 -0.000 17.025) 22.090 9.878 ( 4.019 -0.000 13.535) 14.119 10.477 ( 19.230 -0.000 -9.431) 21.418 11.150 ( -4.808 0.000 -10.543) 11.587 11.734 ( -7.063 0.000 -5.700) 9.077 12.519 ( -14.106 0.000 -6.631) 15.587 12.684 ( -9.005 0.000 0.811) 9.041 12.911 ( -1.725 0.000 1.247) 2.128 13.102 ( -2.196 -0.000 11.879) 12.080 13.518 ( 11.260 -0.000 6.609) 13.056 13.723 ( -12.730 0.000 6.203) 14.161 14.402 ( 1.838 0.000 -4.918) 5.250 14.517 ( 4.037 -0.000 -0.790) 4.113 15.006 ( -3.543 -0.000 4.217) 5.508 15.264 ( 9.087 -0.000 0.020) 9.087 16.108 ( 0.426 -0.000 -0.141) 0.449 16.340 ( -1.044 0.000 0.042) 1.045 16.413 ( 2.462 0.000 -5.105) 5.668 16.716 ( -3.391 0.000 -0.407) 3.416 16.826 ( 2.475 -0.000 -0.189) 2.482 17.287 ( -3.006 0.000 -1.276) 3.266 17.545 ( -2.041 0.000 0.313) 2.065 17.915 ( -4.254 0.000 1.911) 4.664 18.129 ( 1.009 -0.000 5.685) 5.774 18.343 ( 8.005 -0.000 -6.190) 10.119 18.822 ( 0.063 0.000 -3.483) 3.484 18.871 ( 1.447 -0.000 4.782) 4.996 20.031 ( -3.676 -0.000 8.116) 8.909 ======================= Grid point 306 (142/148) ======================= q-point: ( 0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 0.000 -1.201 -0.000) 1.201 3.578 ( -0.000 8.220 0.000) 8.220 3.761 ( 0.000 -25.614 -0.000) 25.614 3.889 ( -0.000 5.061 0.000) 5.061 4.130 ( -0.000 28.094 0.000) 28.094 4.736 ( -0.000 13.594 0.000) 13.594 5.653 ( 0.000 -34.015 -0.000) 34.015 6.437 ( 0.000 -4.963 -0.000) 4.963 7.182 ( -0.000 35.577 0.000) 35.577 7.544 ( 0.000 -8.813 -0.000) 8.813 7.740 ( -0.000 13.586 0.000) 13.586 7.863 ( 0.000 -6.450 -0.000) 6.450 8.719 ( 0.000 -11.341 -0.000) 11.341 8.837 ( 0.000 -16.204 -0.000) 16.204 9.534 ( 0.000 -12.656 -0.000) 12.656 9.790 ( 0.000 -10.261 -0.000) 10.261 10.237 ( -0.000 6.029 0.000) 6.029 11.472 ( 0.000 -9.288 -0.000) 9.288 11.835 ( -0.000 39.691 0.000) 39.691 11.933 ( 0.000 -3.688 -0.000) 3.688 12.331 ( -0.000 22.509 0.000) 22.509 12.750 ( -0.000 11.080 0.000) 11.080 12.842 ( 0.000 -2.578 -0.000) 2.578 13.361 ( 0.000 -2.209 -0.000) 2.209 13.922 ( 0.000 -1.860 -0.000) 1.860 14.455 ( -0.000 0.593 0.000) 0.593 14.621 ( 0.000 -4.534 -0.000) 4.534 15.071 ( -0.000 0.012 0.000) 0.012 15.232 ( 0.000 -4.314 -0.000) 4.314 15.952 ( -0.000 13.660 0.000) 13.660 15.964 ( -0.000 8.824 0.000) 8.824 16.507 ( -0.000 8.627 0.000) 8.627 16.699 ( 0.000 -9.131 -0.000) 9.131 17.017 ( 0.000 -10.981 -0.000) 10.981 17.498 ( 0.000 -2.050 -0.000) 2.050 17.540 ( -0.000 0.122 0.000) 0.122 18.002 ( 0.000 -6.083 -0.000) 6.083 18.226 ( 0.000 -0.655 -0.000) 0.655 18.267 ( 0.000 -5.646 -0.000) 5.646 18.852 ( 0.000 -5.680 -0.000) 5.680 19.394 ( 0.000 -16.261 -0.000) 16.261 19.816 ( -0.000 6.444 0.000) 6.444 ======================= Grid point 309 (143/148) ======================= q-point: ( 0.37 0.62 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 1.177 0.925 -0.000) 1.497 3.257 ( -0.220 -16.002 -0.000) 16.003 3.867 ( -9.523 6.939 0.000) 11.784 4.123 ( 36.388 2.078 -0.000) 36.447 4.664 ( -2.018 20.972 0.000) 21.069 4.903 ( -3.648 -23.502 0.000) 23.784 5.069 ( 2.035 5.324 -0.000) 5.700 6.523 ( 14.166 -2.527 -0.000) 14.390 7.122 ( -21.049 -0.871 0.000) 21.067 7.557 ( 0.139 -15.483 -0.000) 15.484 7.700 ( -4.161 16.668 0.000) 17.179 8.244 ( -9.853 -7.574 0.000) 12.428 8.450 ( 21.785 13.892 -0.000) 25.838 8.917 ( -20.628 -8.310 0.000) 22.239 9.010 ( 22.966 -4.788 -0.000) 23.460 9.842 ( 12.267 -10.676 -0.000) 16.262 10.530 ( 17.702 4.119 -0.000) 18.175 11.305 ( -2.360 -4.374 0.000) 4.970 11.775 ( -12.052 0.388 0.000) 12.058 12.427 ( -6.200 21.717 0.000) 22.585 12.623 ( -15.028 1.917 0.000) 15.150 12.787 ( 2.728 11.949 -0.000) 12.257 12.880 ( -2.539 4.007 0.000) 4.744 13.454 ( 10.544 -0.377 -0.000) 10.551 13.715 ( -12.070 -3.999 0.000) 12.715 14.380 ( -3.081 4.096 0.000) 5.125 14.666 ( 8.906 -9.045 -0.000) 12.694 14.973 ( -5.301 -1.920 0.000) 5.638 15.280 ( 8.603 -1.520 -0.000) 8.737 16.095 ( 1.277 1.955 -0.000) 2.335 16.220 ( 0.711 9.910 0.000) 9.936 16.540 ( 0.749 -5.861 -0.000) 5.909 16.647 ( -3.151 6.800 0.000) 7.495 16.862 ( 1.665 -4.079 -0.000) 4.406 17.380 ( -2.833 -6.136 0.000) 6.758 17.527 ( -1.533 1.011 0.000) 1.836 17.903 ( -3.406 -1.306 0.000) 3.648 18.129 ( 1.034 -5.218 -0.000) 5.319 18.385 ( 9.816 2.960 -0.000) 10.253 18.749 ( -2.264 0.015 0.000) 2.264 19.068 ( -0.521 -13.813 -0.000) 13.823 19.900 ( -3.099 4.432 0.000) 5.408 ======================= Grid point 311 (144/148) ======================= q-point: ( 0.37 0.62 -0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -10.448 0.000 0.000) 10.448 3.342 ( 7.322 -0.000 -0.000) 7.322 3.578 ( -22.671 0.000 0.000) 22.671 4.606 ( 4.119 -0.000 -0.000) 4.119 4.788 ( -6.453 0.000 0.000) 6.453 5.149 ( -1.560 0.000 0.000) 1.560 5.150 ( 51.177 -0.000 -0.000) 51.177 6.653 ( -22.067 0.000 0.000) 22.067 6.790 ( 9.964 -0.000 -0.000) 9.964 7.418 ( 4.113 -0.000 -0.000) 4.113 7.803 ( 3.259 -0.000 -0.000) 3.259 8.096 ( 3.427 -0.000 -0.000) 3.427 8.195 ( -27.953 0.000 0.000) 27.953 9.340 ( 31.421 -0.000 -0.000) 31.421 9.498 ( 25.393 -0.000 -0.000) 25.393 9.839 ( 2.777 -0.000 -0.000) 2.777 11.105 ( 29.445 -0.000 -0.000) 29.445 11.162 ( -6.548 0.000 0.000) 6.548 11.381 ( -26.728 0.000 0.000) 26.728 12.207 ( -21.570 0.000 0.000) 21.570 12.412 ( -14.337 0.000 0.000) 14.337 12.890 ( 1.665 -0.000 -0.000) 1.665 13.037 ( 5.278 -0.000 -0.000) 5.278 13.293 ( -21.533 0.000 0.000) 21.533 13.714 ( 13.152 -0.000 -0.000) 13.152 14.541 ( 3.534 -0.000 -0.000) 3.534 14.609 ( 5.006 -0.000 -0.000) 5.006 14.815 ( -7.214 0.000 0.000) 7.214 15.497 ( 11.992 -0.000 -0.000) 11.992 16.124 ( 0.973 -0.000 -0.000) 0.973 16.308 ( -1.848 0.000 0.000) 1.848 16.515 ( 1.223 -0.000 -0.000) 1.223 16.633 ( -5.206 0.000 0.000) 5.206 16.891 ( 3.607 -0.000 -0.000) 3.607 17.207 ( -5.511 0.000 0.000) 5.511 17.535 ( 1.116 -0.000 -0.000) 1.116 17.762 ( -8.268 0.000 0.000) 8.268 18.111 ( 2.492 -0.000 -0.000) 2.492 18.704 ( 15.518 -0.000 -0.000) 15.518 18.788 ( -0.540 0.000 0.000) 0.540 18.863 ( 0.327 -0.000 -0.000) 0.327 19.854 ( -5.490 0.000 0.000) 5.490 ======================= Grid point 343 (145/148) ======================= q-point: (-0.42 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 0.000 0.000 -21.273) 21.273 2.899 ( 0.000 0.000 -17.691) 17.691 3.867 ( -0.000 -0.000 18.906) 18.906 4.066 ( 0.000 0.000 -14.729) 14.729 4.634 ( -0.000 -0.000 6.342) 6.342 4.864 ( 0.000 0.000 -5.984) 5.984 5.148 ( 0.000 0.000 -3.284) 3.284 6.422 ( -0.000 -0.000 11.355) 11.355 7.034 ( 0.000 0.000 -17.650) 17.650 7.615 ( -0.000 -0.000 0.975) 0.975 8.095 ( 0.000 0.000 -2.423) 2.423 8.205 ( -0.000 -0.000 1.855) 1.855 8.255 ( 0.000 0.000 -14.159) 14.159 8.445 ( -0.000 -0.000 5.144) 5.144 9.206 ( -0.000 -0.000 8.612) 8.612 9.814 ( -0.000 -0.000 19.756) 19.756 10.266 ( 0.000 0.000 -9.835) 9.835 11.199 ( 0.000 0.000 -8.670) 8.670 11.803 ( 0.000 0.000 -10.882) 10.882 12.694 ( 0.000 0.000 -4.364) 4.364 12.782 ( -0.000 -0.000 0.495) 0.495 12.871 ( 0.000 0.000 -0.277) 0.277 13.204 ( -0.000 -0.000 16.819) 16.819 13.364 ( -0.000 -0.000 4.367) 4.367 13.866 ( -0.000 -0.000 6.362) 6.362 14.375 ( 0.000 0.000 -3.803) 3.803 14.471 ( 0.000 0.000 -2.581) 2.581 15.055 ( -0.000 -0.000 2.399) 2.399 15.152 ( -0.000 -0.000 0.533) 0.533 16.104 ( 0.000 0.000 -0.149) 0.149 16.351 ( -0.000 -0.000 0.051) 0.051 16.381 ( 0.000 0.000 -4.614) 4.614 16.772 ( 0.000 0.000 -0.858) 0.858 16.780 ( -0.000 -0.000 0.284) 0.284 17.319 ( 0.000 0.000 -1.357) 1.357 17.577 ( -0.000 -0.000 1.140) 1.140 17.959 ( -0.000 -0.000 1.773) 1.773 18.118 ( -0.000 -0.000 5.905) 5.905 18.245 ( 0.000 0.000 -4.462) 4.462 18.821 ( 0.000 0.000 -3.379) 3.379 18.862 ( -0.000 -0.000 3.095) 3.095 20.071 ( -0.000 -0.000 8.590) 8.590 ======================= Grid point 360 (146/148) ======================= q-point: ( 0.44 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -0.000 3.021 0.000) 3.021 3.276 ( 0.000 -18.275 -0.000) 18.275 3.636 ( 0.000 -0.082 -0.000) 0.082 4.035 ( -0.000 9.486 0.000) 9.486 4.685 ( -0.000 22.223 0.000) 22.223 4.969 ( 0.000 -30.532 -0.000) 30.532 5.037 ( -0.000 12.989 0.000) 12.989 6.346 ( 0.000 -3.693 -0.000) 3.693 7.356 ( 0.000 -8.229 -0.000) 8.229 7.704 ( 0.000 -8.315 -0.000) 8.315 7.758 ( -0.000 19.872 0.000) 19.872 8.025 ( -0.000 13.183 0.000) 13.183 8.507 ( 0.000 -8.381 -0.000) 8.381 8.607 ( 0.000 -6.832 -0.000) 6.832 9.260 ( 0.000 -12.917 -0.000) 12.917 9.624 ( 0.000 -5.359 -0.000) 5.359 10.332 ( -0.000 3.239 0.000) 3.239 11.332 ( 0.000 -4.534 -0.000) 4.534 11.903 ( -0.000 0.118 0.000) 0.118 12.496 ( -0.000 24.343 0.000) 24.343 12.717 ( -0.000 14.556 0.000) 14.556 12.825 ( -0.000 0.239 0.000) 0.239 12.918 ( -0.000 4.817 0.000) 4.817 13.328 ( 0.000 -1.048 -0.000) 1.048 13.854 ( 0.000 -4.120 -0.000) 4.120 14.480 ( -0.000 1.387 0.000) 1.387 14.496 ( 0.000 -6.220 -0.000) 6.220 15.045 ( 0.000 -1.880 -0.000) 1.880 15.169 ( 0.000 -2.095 -0.000) 2.095 16.081 ( -0.000 2.906 0.000) 2.906 16.208 ( -0.000 10.642 0.000) 10.642 16.531 ( 0.000 -7.147 -0.000) 7.147 16.687 ( -0.000 8.155 0.000) 8.155 16.839 ( 0.000 -6.089 -0.000) 6.089 17.410 ( 0.000 -5.787 -0.000) 5.787 17.552 ( -0.000 0.970 0.000) 0.970 17.939 ( 0.000 -0.587 -0.000) 0.587 18.117 ( 0.000 -5.341 -0.000) 5.341 18.274 ( -0.000 1.800 0.000) 1.800 18.775 ( 0.000 -1.030 -0.000) 1.030 19.075 ( 0.000 -14.383 -0.000) 14.383 19.933 ( -0.000 4.594 0.000) 4.594 ======================= Grid point 362 (147/148) ======================= q-point: ( 0.44 0.56 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( -4.826 0.000 0.000) 4.826 3.192 ( 5.946 -0.000 -0.000) 5.946 3.971 ( -4.333 0.000 0.000) 4.333 4.152 ( 28.847 -0.000 -0.000) 28.847 4.564 ( 0.424 -0.000 -0.000) 0.424 4.894 ( -3.466 0.000 0.000) 3.466 5.173 ( -0.714 0.000 0.000) 0.714 6.494 ( 15.272 -0.000 -0.000) 15.272 7.175 ( -26.605 0.000 0.000) 26.605 7.310 ( 4.347 -0.000 -0.000) 4.347 7.857 ( -7.653 0.000 0.000) 7.653 8.178 ( -8.320 0.000 0.000) 8.320 8.665 ( 31.524 -0.000 -0.000) 31.524 8.776 ( -24.658 0.000 0.000) 24.658 8.964 ( 24.661 -0.000 -0.000) 24.661 9.720 ( 8.348 -0.000 -0.000) 8.348 10.573 ( 18.938 -0.000 -0.000) 18.938 11.259 ( -2.743 0.000 0.000) 2.743 11.782 ( -12.111 0.000 0.000) 12.111 12.636 ( -16.629 0.000 0.000) 16.629 12.672 ( -9.229 0.000 0.000) 9.229 12.902 ( -2.423 0.000 0.000) 2.423 12.933 ( 4.195 -0.000 -0.000) 4.195 13.452 ( 10.844 -0.000 -0.000) 10.844 13.659 ( -12.734 0.000 0.000) 12.734 14.466 ( 3.326 -0.000 -0.000) 3.326 14.525 ( 2.768 -0.000 -0.000) 2.768 14.950 ( -5.325 0.000 0.000) 5.325 15.264 ( 9.261 -0.000 -0.000) 9.261 16.109 ( 0.419 -0.000 -0.000) 0.419 16.340 ( -1.041 0.000 0.000) 1.041 16.463 ( 2.922 -0.000 -0.000) 2.922 16.721 ( -3.351 0.000 0.000) 3.351 16.830 ( 2.378 -0.000 -0.000) 2.378 17.299 ( -3.081 0.000 0.000) 3.081 17.542 ( -1.442 0.000 0.000) 1.442 17.896 ( -4.233 0.000 0.000) 4.233 18.072 ( 1.228 -0.000 -0.000) 1.228 18.418 ( 10.760 -0.000 -0.000) 10.760 18.810 ( -1.236 0.000 0.000) 1.236 18.858 ( 0.151 -0.000 -0.000) 0.151 19.948 ( -3.242 0.000 0.000) 3.242 ======================= Grid point 412 (148/148) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 0.000 0.000 -0.000) 0.000 3.124 ( -0.000 -0.000 0.000) 0.000 3.630 ( 0.000 0.000 -0.000) 0.000 4.213 ( -0.000 -0.000 0.000) 0.000 4.564 ( 0.000 0.000 -0.000) 0.000 4.931 ( 0.000 0.000 -0.000) 0.000 5.180 ( 0.000 0.000 -0.000) 0.000 6.304 ( 0.000 0.000 -0.000) 0.000 7.262 ( 0.000 0.000 -0.000) 0.000 7.602 ( 0.000 0.000 -0.000) 0.000 7.963 ( 0.000 0.000 -0.000) 0.000 8.186 ( 0.000 0.000 -0.000) 0.000 8.416 ( 0.000 0.000 -0.000) 0.000 8.541 ( 0.000 0.000 -0.000) 0.000 9.101 ( 0.000 0.000 -0.000) 0.000 9.572 ( 0.000 0.000 -0.000) 0.000 10.366 ( 0.000 0.000 -0.000) 0.000 11.286 ( 0.000 0.000 -0.000) 0.000 11.909 ( 0.000 0.000 -0.000) 0.000 12.773 ( 0.000 0.000 -0.000) 0.000 12.830 ( -0.000 -0.000 0.000) 0.000 12.876 ( 0.000 0.000 -0.000) 0.000 12.946 ( 0.000 0.000 -0.000) 0.000 13.318 ( 0.000 0.000 -0.000) 0.000 13.801 ( -0.000 -0.000 0.000) 0.000 14.424 ( 0.000 0.000 -0.000) 0.000 14.496 ( 0.000 0.000 -0.000) 0.000 15.022 ( 0.000 0.000 -0.000) 0.000 15.147 ( 0.000 0.000 -0.000) 0.000 16.105 ( 0.000 0.000 -0.000) 0.000 16.351 ( 0.000 0.000 -0.000) 0.000 16.426 ( 0.000 0.000 -0.000) 0.000 16.777 ( 0.000 0.000 -0.000) 0.000 16.785 ( 0.000 0.000 -0.000) 0.000 17.332 ( 0.000 0.000 -0.000) 0.000 17.565 ( 0.000 0.000 -0.000) 0.000 17.940 ( 0.000 0.000 -0.000) 0.000 18.059 ( 0.000 0.000 -0.000) 0.000 18.295 ( 0.000 0.000 -0.000) 0.000 18.826 ( 0.000 0.000 -0.000) 0.000 18.856 ( 0.000 0.000 -0.000) 0.000 19.983 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32256 10.0 2935.793 2878.098 4763.982 -0.000 -0.000 -0.000 3/32256 20.0 2195.648 1950.846 3175.601 -0.000 -0.000 -0.000 3/32256 30.0 1475.097 1536.419 1742.154 -0.000 -0.000 -0.000 3/32256 40.0 1005.750 1257.935 1117.056 -0.000 -0.000 -0.000 3/32256 50.0 691.178 994.052 757.093 -0.000 -0.000 -0.000 3/32256 60.0 482.258 769.233 526.883 -0.000 -0.000 -0.000 3/32256 70.0 345.444 594.900 376.708 -0.000 -0.000 -0.000 3/32256 80.0 255.641 465.707 277.819 -0.000 -0.000 -0.000 3/32256 90.0 195.652 371.203 211.543 -0.000 -0.000 -0.000 3/32256 100.0 154.519 301.769 166.009 -0.000 -0.000 -0.000 3/32256 110.0 125.485 250.097 133.847 -0.000 -0.000 -0.000 3/32256 120.0 104.395 211.011 110.496 -0.000 -0.000 -0.000 3/32256 130.0 88.660 180.927 93.102 -0.000 -0.000 -0.000 3/32256 140.0 76.633 157.372 79.836 -0.000 -0.000 -0.000 3/32256 150.0 67.238 138.627 69.504 -0.000 -0.000 -0.000 3/32256 160.0 59.755 123.481 61.305 -0.000 -0.000 -0.000 3/32256 170.0 53.691 111.071 54.687 -0.000 -0.000 -0.000 3/32256 180.0 48.701 100.770 49.265 -0.000 -0.000 -0.000 3/32256 190.0 44.538 92.120 44.762 -0.000 -0.000 -0.000 3/32256 200.0 41.022 84.777 40.976 -0.000 -0.000 -0.000 3/32256 210.0 38.018 78.483 37.759 -0.000 -0.000 -0.000 3/32256 220.0 35.427 73.039 34.997 -0.000 -0.000 -0.000 3/32256 230.0 33.171 68.291 32.605 -0.000 -0.000 -0.000 3/32256 240.0 31.192 64.120 30.516 -0.000 -0.000 -0.000 3/32256 250.0 29.441 60.430 28.678 -0.000 -0.000 -0.000 3/32256 260.0 27.883 57.145 27.050 -0.000 -0.000 -0.000 3/32256 270.0 26.488 54.203 25.599 -0.000 -0.000 -0.000 3/32256 280.0 25.231 51.555 24.298 -0.000 -0.000 -0.000 3/32256 290.0 24.093 49.159 23.125 -0.000 -0.000 -0.000 3/32256 300.0 23.058 46.982 22.063 -0.000 -0.000 -0.000 3/32256 310.0 22.112 44.995 21.097 -0.000 -0.000 -0.000 3/32256 320.0 21.245 43.175 20.215 -0.000 -0.000 -0.000 3/32256 330.0 20.446 41.501 19.406 -0.000 -0.000 -0.000 3/32256 340.0 19.708 39.957 18.662 -0.000 -0.000 -0.000 3/32256 350.0 19.025 38.528 17.974 -0.000 -0.000 -0.000 3/32256 360.0 18.389 37.202 17.338 -0.000 -0.000 -0.000 3/32256 370.0 17.797 35.967 16.747 -0.000 -0.000 -0.000 3/32256 380.0 17.243 34.816 16.196 -0.000 -0.000 -0.000 3/32256 390.0 16.725 33.738 15.682 -0.000 -0.000 -0.000 3/32256 400.0 16.239 32.728 15.201 -0.000 -0.000 -0.000 3/32256 410.0 15.781 31.780 14.750 -0.000 -0.000 -0.000 3/32256 420.0 15.350 30.887 14.326 -0.000 -0.000 -0.000 3/32256 430.0 14.942 30.045 13.927 -0.000 -0.000 -0.000 3/32256 440.0 14.557 29.249 13.550 -0.000 -0.000 -0.000 3/32256 450.0 14.192 28.497 13.195 -0.000 -0.000 -0.000 3/32256 460.0 13.846 27.783 12.858 -0.000 -0.000 -0.000 3/32256 470.0 13.517 27.106 12.538 -0.000 -0.000 -0.000 3/32256 480.0 13.204 26.463 12.235 -0.000 -0.000 -0.000 3/32256 490.0 12.906 25.851 11.947 -0.000 -0.000 -0.000 3/32256 500.0 12.621 25.267 11.672 -0.000 -0.000 -0.000 3/32256 510.0 12.349 24.710 11.411 -0.000 -0.000 -0.000 3/32256 520.0 12.089 24.178 11.161 -0.000 -0.000 -0.000 3/32256 530.0 11.841 23.670 10.923 -0.000 -0.000 -0.000 3/32256 540.0 11.602 23.183 10.694 -0.000 -0.000 -0.000 3/32256 550.0 11.374 22.717 10.476 -0.000 -0.000 -0.000 3/32256 560.0 11.154 22.269 10.267 -0.000 -0.000 -0.000 3/32256 570.0 10.943 21.840 10.066 -0.000 -0.000 -0.000 3/32256 580.0 10.741 21.427 9.873 -0.000 -0.000 -0.000 3/32256 590.0 10.546 21.030 9.688 -0.000 -0.000 -0.000 3/32256 600.0 10.358 20.649 9.509 -0.000 -0.000 -0.000 3/32256 610.0 10.177 20.281 9.338 -0.000 -0.000 -0.000 3/32256 620.0 10.002 19.926 9.173 -0.000 -0.000 -0.000 3/32256 630.0 9.833 19.584 9.013 -0.000 -0.000 -0.000 3/32256 640.0 9.670 19.254 8.860 -0.000 -0.000 -0.000 3/32256 650.0 9.513 18.936 8.711 -0.000 -0.000 -0.000 3/32256 660.0 9.361 18.628 8.568 -0.000 -0.000 -0.000 3/32256 670.0 9.213 18.330 8.429 -0.000 -0.000 -0.000 3/32256 680.0 9.071 18.041 8.295 -0.000 -0.000 -0.000 3/32256 690.0 8.933 17.762 8.166 -0.000 -0.000 -0.000 3/32256 700.0 8.799 17.492 8.040 -0.000 -0.000 -0.000 3/32256 710.0 8.669 17.230 7.918 -0.000 -0.000 -0.000 3/32256 720.0 8.543 16.976 7.801 -0.000 -0.000 -0.000 3/32256 730.0 8.421 16.730 7.686 -0.000 -0.000 -0.000 3/32256 740.0 8.302 16.490 7.575 -0.000 -0.000 -0.000 3/32256 750.0 8.187 16.258 7.468 -0.000 -0.000 -0.000 3/32256 760.0 8.075 16.032 7.363 -0.000 -0.000 -0.000 3/32256 770.0 7.966 15.813 7.261 -0.000 -0.000 -0.000 3/32256 780.0 7.859 15.600 7.163 -0.000 -0.000 -0.000 3/32256 790.0 7.756 15.392 7.066 -0.000 -0.000 -0.000 3/32256 800.0 7.656 15.190 6.973 -0.000 -0.000 -0.000 3/32256 810.0 7.558 14.994 6.882 -0.000 -0.000 -0.000 3/32256 820.0 7.463 14.802 6.793 -0.000 -0.000 -0.000 3/32256 830.0 7.370 14.616 6.707 -0.000 -0.000 -0.000 3/32256 840.0 7.279 14.434 6.623 -0.000 -0.000 -0.000 3/32256 850.0 7.191 14.257 6.541 -0.000 -0.000 -0.000 3/32256 860.0 7.105 14.084 6.461 -0.000 -0.000 -0.000 3/32256 870.0 7.020 13.916 6.383 -0.000 -0.000 -0.000 3/32256 880.0 6.938 13.751 6.307 -0.000 -0.000 -0.000 3/32256 890.0 6.858 13.590 6.233 -0.000 -0.000 -0.000 3/32256 900.0 6.780 13.434 6.161 -0.000 -0.000 -0.000 3/32256 910.0 6.703 13.281 6.090 -0.000 -0.000 -0.000 3/32256 920.0 6.629 13.131 6.021 -0.000 -0.000 -0.000 3/32256 930.0 6.556 12.985 5.953 -0.000 -0.000 -0.000 3/32256 940.0 6.484 12.842 5.887 -0.000 -0.000 -0.000 3/32256 950.0 6.414 12.702 5.823 -0.000 -0.000 -0.000 3/32256 960.0 6.346 12.565 5.760 -0.000 -0.000 -0.000 3/32256 970.0 6.279 12.431 5.698 -0.000 -0.000 -0.000 3/32256 980.0 6.213 12.300 5.638 -0.000 -0.000 -0.000 3/32256 990.0 6.149 12.172 5.579 -0.000 -0.000 -0.000 3/32256 1000.0 6.086 12.047 5.521 -0.000 -0.000 -0.000 3/32256 Thermal conductivity related properties were written into "kappa-m2848.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:26:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|