----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:15:19]------------------------- 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: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.986210094999999 -6.437573450000000 0.000000000000000 b 1.986210094999999 6.437573450000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819402530000000 Atomic positions (fractional): *1 Se 0.08510019708877 0.91489980291123 0.25000000000000 78.960 2 Se 0.91489980291123 0.08510019708877 0.75000000000000 78.960 *3 Se 0.64440504825432 0.35559495174568 0.56140033246806 78.960 4 Se 0.35559495174568 0.64440504825432 0.43859966753194 78.960 5 Se 0.64440504825432 0.35559495174568 0.93859966753194 78.960 6 Se 0.35559495174568 0.64440504825432 0.06140033246806 78.960 *7 Nd 0.25169291559760 0.74830708440240 0.75000000000000 144.242 8 Nd 0.74830708440240 0.25169291559760 0.25000000000000 144.242 *9 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 10 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.972420189999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.875146900000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819402530000000 Atomic positions (fractional): *1 Se 0.50000000000000 0.41489980291123 0.25000000000000 78.960 > 1 2 Se 0.00000000000000 0.08510019708877 0.75000000000000 78.960 > 2 *3 Se 0.00000000000000 0.35559495174568 0.56140033246806 78.960 > 3 4 Se 0.50000000000000 0.14440504825432 0.43859966753194 78.960 > 4 5 Se 0.00000000000000 0.35559495174568 0.93859966753194 78.960 > 5 6 Se 0.50000000000000 0.14440504825432 0.06140033246806 78.960 > 6 7 Se 0.00000000000000 0.91489980291123 0.25000000000000 78.960 > 1 8 Se 0.50000000000000 0.58510019708877 0.75000000000000 78.960 > 2 9 Se 0.50000000000000 0.85559495174568 0.56140033246806 78.960 > 3 10 Se 0.00000000000000 0.64440504825432 0.43859966753194 78.960 > 4 11 Se 0.50000000000000 0.85559495174568 0.93859966753194 78.960 > 5 12 Se 0.00000000000000 0.64440504825432 0.06140033246806 78.960 > 6 *13 Nd 0.50000000000000 0.24830708440240 0.75000000000000 144.242 > 7 14 Nd 0.00000000000000 0.25169291559760 0.25000000000000 144.242 > 8 15 Nd 0.00000000000000 0.74830708440240 0.75000000000000 144.242 > 7 16 Nd 0.50000000000000 0.75169291559760 0.25000000000000 144.242 > 8 *17 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 9 18 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 10 19 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 9 20 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.917260569999995 0.000000000000000 0.000000000000000 b 0.000000000000000 12.875146900000001 0.000000000000000 c 0.000000000000000 0.000000000000000 19.638805059999999 Atomic positions (fractional): *1 Se 0.16666666666667 0.41489980291123 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.41489980291123 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.41489980291123 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.41489980291123 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.41489980291123 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.41489980291123 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.08510019708877 0.37500000000000 78.960 > 2 8 Se 0.33333333333333 0.08510019708877 0.37500000000000 78.960 > 2 9 Se 0.66666666666667 0.08510019708877 0.37500000000000 78.960 > 2 10 Se 0.00000000000000 0.08510019708877 0.87500000000000 78.960 > 2 11 Se 0.33333333333333 0.08510019708877 0.87500000000000 78.960 > 2 12 Se 0.66666666666667 0.08510019708877 0.87500000000000 78.960 > 2 *13 Se 0.00000000000000 0.35559495174568 0.28070016623403 78.960 > 3 14 Se 0.33333333333333 0.35559495174568 0.28070016623403 78.960 > 3 15 Se 0.66666666666667 0.35559495174568 0.28070016623403 78.960 > 3 16 Se 0.00000000000000 0.35559495174568 0.78070016623403 78.960 > 3 17 Se 0.33333333333333 0.35559495174568 0.78070016623403 78.960 > 3 18 Se 0.66666666666667 0.35559495174568 0.78070016623403 78.960 > 3 19 Se 0.16666666666667 0.14440504825432 0.21929983376597 78.960 > 4 20 Se 0.50000000000000 0.14440504825432 0.21929983376597 78.960 > 4 21 Se 0.83333333333333 0.14440504825432 0.21929983376597 78.960 > 4 22 Se 0.16666666666667 0.14440504825432 0.71929983376597 78.960 > 4 23 Se 0.50000000000000 0.14440504825432 0.71929983376597 78.960 > 4 24 Se 0.83333333333333 0.14440504825432 0.71929983376597 78.960 > 4 25 Se 0.00000000000000 0.35559495174568 0.46929983376597 78.960 > 5 26 Se 0.33333333333333 0.35559495174568 0.46929983376597 78.960 > 5 27 Se 0.66666666666667 0.35559495174568 0.46929983376597 78.960 > 5 28 Se 0.00000000000000 0.35559495174568 0.96929983376597 78.960 > 5 29 Se 0.33333333333333 0.35559495174568 0.96929983376597 78.960 > 5 30 Se 0.66666666666667 0.35559495174568 0.96929983376597 78.960 > 5 31 Se 0.16666666666667 0.14440504825432 0.03070016623403 78.960 > 6 32 Se 0.50000000000000 0.14440504825432 0.03070016623403 78.960 > 6 33 Se 0.83333333333333 0.14440504825432 0.03070016623403 78.960 > 6 34 Se 0.16666666666667 0.14440504825432 0.53070016623403 78.960 > 6 35 Se 0.50000000000000 0.14440504825432 0.53070016623403 78.960 > 6 36 Se 0.83333333333333 0.14440504825432 0.53070016623403 78.960 > 6 37 Se 0.00000000000000 0.91489980291123 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.91489980291123 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.91489980291123 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.91489980291123 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.91489980291123 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.91489980291123 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.58510019708877 0.37500000000000 78.960 > 2 44 Se 0.50000000000000 0.58510019708877 0.37500000000000 78.960 > 2 45 Se 0.83333333333333 0.58510019708877 0.37500000000000 78.960 > 2 46 Se 0.16666666666667 0.58510019708877 0.87500000000000 78.960 > 2 47 Se 0.50000000000000 0.58510019708877 0.87500000000000 78.960 > 2 48 Se 0.83333333333333 0.58510019708877 0.87500000000000 78.960 > 2 49 Se 0.16666666666667 0.85559495174568 0.28070016623403 78.960 > 3 50 Se 0.50000000000000 0.85559495174568 0.28070016623403 78.960 > 3 51 Se 0.83333333333333 0.85559495174568 0.28070016623403 78.960 > 3 52 Se 0.16666666666667 0.85559495174568 0.78070016623403 78.960 > 3 53 Se 0.50000000000000 0.85559495174568 0.78070016623403 78.960 > 3 54 Se 0.83333333333333 0.85559495174568 0.78070016623403 78.960 > 3 55 Se 0.00000000000000 0.64440504825432 0.21929983376597 78.960 > 4 56 Se 0.33333333333333 0.64440504825432 0.21929983376597 78.960 > 4 57 Se 0.66666666666667 0.64440504825432 0.21929983376597 78.960 > 4 58 Se 0.00000000000000 0.64440504825432 0.71929983376597 78.960 > 4 59 Se 0.33333333333333 0.64440504825432 0.71929983376597 78.960 > 4 60 Se 0.66666666666667 0.64440504825432 0.71929983376597 78.960 > 4 61 Se 0.16666666666667 0.85559495174568 0.46929983376597 78.960 > 5 62 Se 0.50000000000000 0.85559495174568 0.46929983376597 78.960 > 5 63 Se 0.83333333333333 0.85559495174568 0.46929983376597 78.960 > 5 64 Se 0.16666666666667 0.85559495174568 0.96929983376597 78.960 > 5 65 Se 0.50000000000000 0.85559495174568 0.96929983376597 78.960 > 5 66 Se 0.83333333333333 0.85559495174568 0.96929983376597 78.960 > 5 67 Se 0.00000000000000 0.64440504825432 0.03070016623403 78.960 > 6 68 Se 0.33333333333333 0.64440504825432 0.03070016623403 78.960 > 6 69 Se 0.66666666666667 0.64440504825432 0.03070016623403 78.960 > 6 70 Se 0.00000000000000 0.64440504825432 0.53070016623403 78.960 > 6 71 Se 0.33333333333333 0.64440504825432 0.53070016623403 78.960 > 6 72 Se 0.66666666666667 0.64440504825432 0.53070016623403 78.960 > 6 *73 Nd 0.16666666666667 0.24830708440240 0.37500000000000 144.242 > 7 74 Nd 0.50000000000000 0.24830708440240 0.37500000000000 144.242 > 7 75 Nd 0.83333333333333 0.24830708440240 0.37500000000000 144.242 > 7 76 Nd 0.16666666666667 0.24830708440240 0.87500000000000 144.242 > 7 77 Nd 0.50000000000000 0.24830708440240 0.87500000000000 144.242 > 7 78 Nd 0.83333333333333 0.24830708440240 0.87500000000000 144.242 > 7 79 Nd 0.00000000000000 0.25169291559760 0.12500000000000 144.242 > 8 80 Nd 0.33333333333333 0.25169291559760 0.12500000000000 144.242 > 8 81 Nd 0.66666666666667 0.25169291559760 0.12500000000000 144.242 > 8 82 Nd 0.00000000000000 0.25169291559760 0.62500000000000 144.242 > 8 83 Nd 0.33333333333333 0.25169291559760 0.62500000000000 144.242 > 8 84 Nd 0.66666666666667 0.25169291559760 0.62500000000000 144.242 > 8 85 Nd 0.00000000000000 0.74830708440240 0.37500000000000 144.242 > 7 86 Nd 0.33333333333333 0.74830708440240 0.37500000000000 144.242 > 7 87 Nd 0.66666666666667 0.74830708440240 0.37500000000000 144.242 > 7 88 Nd 0.00000000000000 0.74830708440240 0.87500000000000 144.242 > 7 89 Nd 0.33333333333333 0.74830708440240 0.87500000000000 144.242 > 7 90 Nd 0.66666666666667 0.74830708440240 0.87500000000000 144.242 > 7 91 Nd 0.16666666666667 0.75169291559760 0.12500000000000 144.242 > 8 92 Nd 0.50000000000000 0.75169291559760 0.12500000000000 144.242 > 8 93 Nd 0.83333333333333 0.75169291559760 0.12500000000000 144.242 > 8 94 Nd 0.16666666666667 0.75169291559760 0.62500000000000 144.242 > 8 95 Nd 0.50000000000000 0.75169291559760 0.62500000000000 144.242 > 8 96 Nd 0.83333333333333 0.75169291559760 0.62500000000000 144.242 > 8 *97 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 9 98 Lu 0.33333333333333 0.00000000000000 0.00000000000000 174.967 > 9 99 Lu 0.66666666666667 0.00000000000000 0.00000000000000 174.967 > 9 100 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 9 101 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 9 102 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 9 103 Lu 0.00000000000000 0.00000000000000 0.25000000000000 174.967 > 10 104 Lu 0.33333333333333 0.00000000000000 0.25000000000000 174.967 > 10 105 Lu 0.66666666666667 0.00000000000000 0.25000000000000 174.967 > 10 106 Lu 0.00000000000000 0.00000000000000 0.75000000000000 174.967 > 10 107 Lu 0.33333333333333 0.00000000000000 0.75000000000000 174.967 > 10 108 Lu 0.66666666666667 0.00000000000000 0.75000000000000 174.967 > 10 109 Lu 0.16666666666667 0.50000000000000 0.00000000000000 174.967 > 9 110 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 9 111 Lu 0.83333333333333 0.50000000000000 0.00000000000000 174.967 > 9 112 Lu 0.16666666666667 0.50000000000000 0.50000000000000 174.967 > 9 113 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 9 114 Lu 0.83333333333333 0.50000000000000 0.50000000000000 174.967 > 9 115 Lu 0.16666666666667 0.50000000000000 0.25000000000000 174.967 > 10 116 Lu 0.50000000000000 0.50000000000000 0.25000000000000 174.967 > 10 117 Lu 0.83333333333333 0.50000000000000 0.25000000000000 174.967 > 10 118 Lu 0.16666666666667 0.50000000000000 0.75000000000000 174.967 > 10 119 Lu 0.50000000000000 0.50000000000000 0.75000000000000 174.967 > 10 120 Lu 0.83333333333333 0.50000000000000 0.75000000000000 174.967 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.5775910 0.0000000 0.0000000 0.0000000 8.9151397 0.0000000 0.0000000 0.0000000 9.4002320 -------------------------- Born effective charges -------------------------- 1 Se -2.2075757 0.0000000 0.0000000 0.0000000 -2.7358876 0.0000000 0.0000000 0.0000000 -3.1207473 2 Se -2.2075757 0.0000000 0.0000000 0.0000000 -2.7358876 0.0000000 0.0000000 0.0000000 -3.1207473 3 Se -3.5641857 0.0000000 0.0000000 0.0000000 -2.5640899 0.5252859 0.0000000 0.8763775 -2.2576639 4 Se -3.5641857 0.0000000 0.0000000 0.0000000 -2.5640899 0.5252859 0.0000000 0.8763775 -2.2576639 5 Se -3.5641857 0.0000000 0.0000000 0.0000000 -2.5640899 -0.5252859 0.0000000 -0.8763775 -2.2576639 6 Se -3.5641857 0.0000000 0.0000000 0.0000000 -2.5640899 -0.5252859 0.0000000 -0.8763775 -2.2576639 7 Nd 4.7052528 0.0000000 0.0000000 0.0000000 3.7126754 0.0000000 0.0000000 0.0000000 3.8379008 8 Nd 4.7052528 0.0000000 0.0000000 0.0000000 3.7126754 0.0000000 0.0000000 0.0000000 3.8379008 9 Lu 4.6306944 0.0000000 0.0000000 0.0000000 4.1513920 -0.8439738 0.0000000 -0.1926980 3.7981743 10 Lu 4.6306944 0.0000000 0.0000000 0.0000000 4.1513920 0.8439738 0.0000000 0.1926980 3.7981743 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 6798/6798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 804 Number of blocks in projector: 804 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: 188 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 90 Use standard eigh solver. Tree of FC basis block matrices: - (804, 788), data: False |-- (90, 90), data: True |-- (106, 106), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (188, 184), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.792 Solver_block: 160 / 160 - Time: 0.524 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.329 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 6798/6798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 804 Number of blocks in projector: 804 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: 188 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 90 Use standard eigh solver. Tree of FC basis block matrices: - (804, 788), data: False |-- (90, 90), data: True |-- (106, 106), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (188, 184), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:15:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:15:28]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.986210094999999 -6.437573450000000 0.000000000000000 b 1.986210094999999 6.437573450000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819402530000000 Atomic positions (fractional): 1 Se 0.08510019708877 0.91489980291123 0.25000000000000 78.960 2 Se 0.91489980291123 0.08510019708877 0.75000000000000 78.960 3 Se 0.64440504825432 0.35559495174568 0.56140033246806 78.960 4 Se 0.35559495174568 0.64440504825432 0.43859966753194 78.960 5 Se 0.64440504825432 0.35559495174568 0.93859966753194 78.960 6 Se 0.35559495174568 0.64440504825432 0.06140033246806 78.960 7 Nd 0.25169291559760 0.74830708440240 0.75000000000000 144.242 8 Nd 0.74830708440240 0.25169291559760 0.25000000000000 144.242 9 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 10 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.917260569999995 0.000000000000000 0.000000000000000 b 0.000000000000000 12.875146900000001 0.000000000000000 c 0.000000000000000 0.000000000000000 19.638805059999999 Atomic positions (fractional): 1 Se 0.16666666666667 0.41489980291123 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.41489980291123 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.41489980291123 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.41489980291123 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.41489980291123 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.41489980291123 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.08510019708877 0.37500000000000 78.960 > 7 8 Se 0.33333333333333 0.08510019708877 0.37500000000000 78.960 > 7 9 Se 0.66666666666667 0.08510019708877 0.37500000000000 78.960 > 7 10 Se 0.00000000000000 0.08510019708877 0.87500000000000 78.960 > 7 11 Se 0.33333333333333 0.08510019708877 0.87500000000000 78.960 > 7 12 Se 0.66666666666667 0.08510019708877 0.87500000000000 78.960 > 7 13 Se 0.00000000000000 0.35559495174568 0.28070016623403 78.960 > 13 14 Se 0.33333333333333 0.35559495174568 0.28070016623403 78.960 > 13 15 Se 0.66666666666667 0.35559495174568 0.28070016623403 78.960 > 13 16 Se 0.00000000000000 0.35559495174568 0.78070016623403 78.960 > 13 17 Se 0.33333333333333 0.35559495174568 0.78070016623403 78.960 > 13 18 Se 0.66666666666667 0.35559495174568 0.78070016623403 78.960 > 13 19 Se 0.16666666666667 0.14440504825432 0.21929983376597 78.960 > 19 20 Se 0.50000000000000 0.14440504825432 0.21929983376597 78.960 > 19 21 Se 0.83333333333333 0.14440504825432 0.21929983376597 78.960 > 19 22 Se 0.16666666666667 0.14440504825432 0.71929983376597 78.960 > 19 23 Se 0.50000000000000 0.14440504825432 0.71929983376597 78.960 > 19 24 Se 0.83333333333333 0.14440504825432 0.71929983376597 78.960 > 19 25 Se 0.00000000000000 0.35559495174568 0.46929983376597 78.960 > 25 26 Se 0.33333333333333 0.35559495174568 0.46929983376597 78.960 > 25 27 Se 0.66666666666667 0.35559495174568 0.46929983376597 78.960 > 25 28 Se 0.00000000000000 0.35559495174568 0.96929983376597 78.960 > 25 29 Se 0.33333333333333 0.35559495174568 0.96929983376597 78.960 > 25 30 Se 0.66666666666667 0.35559495174568 0.96929983376597 78.960 > 25 31 Se 0.16666666666667 0.14440504825432 0.03070016623403 78.960 > 31 32 Se 0.50000000000000 0.14440504825432 0.03070016623403 78.960 > 31 33 Se 0.83333333333333 0.14440504825432 0.03070016623403 78.960 > 31 34 Se 0.16666666666667 0.14440504825432 0.53070016623403 78.960 > 31 35 Se 0.50000000000000 0.14440504825432 0.53070016623403 78.960 > 31 36 Se 0.83333333333333 0.14440504825432 0.53070016623403 78.960 > 31 37 Se 0.00000000000000 0.91489980291123 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.91489980291123 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.91489980291123 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.91489980291123 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.91489980291123 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.91489980291123 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.58510019708877 0.37500000000000 78.960 > 7 44 Se 0.50000000000000 0.58510019708877 0.37500000000000 78.960 > 7 45 Se 0.83333333333333 0.58510019708877 0.37500000000000 78.960 > 7 46 Se 0.16666666666667 0.58510019708877 0.87500000000000 78.960 > 7 47 Se 0.50000000000000 0.58510019708877 0.87500000000000 78.960 > 7 48 Se 0.83333333333333 0.58510019708877 0.87500000000000 78.960 > 7 49 Se 0.16666666666667 0.85559495174568 0.28070016623403 78.960 > 13 50 Se 0.50000000000000 0.85559495174568 0.28070016623403 78.960 > 13 51 Se 0.83333333333333 0.85559495174568 0.28070016623403 78.960 > 13 52 Se 0.16666666666667 0.85559495174568 0.78070016623403 78.960 > 13 53 Se 0.50000000000000 0.85559495174568 0.78070016623403 78.960 > 13 54 Se 0.83333333333333 0.85559495174568 0.78070016623403 78.960 > 13 55 Se 0.00000000000000 0.64440504825432 0.21929983376597 78.960 > 19 56 Se 0.33333333333333 0.64440504825432 0.21929983376597 78.960 > 19 57 Se 0.66666666666667 0.64440504825432 0.21929983376597 78.960 > 19 58 Se 0.00000000000000 0.64440504825432 0.71929983376597 78.960 > 19 59 Se 0.33333333333333 0.64440504825432 0.71929983376597 78.960 > 19 60 Se 0.66666666666667 0.64440504825432 0.71929983376597 78.960 > 19 61 Se 0.16666666666667 0.85559495174568 0.46929983376597 78.960 > 25 62 Se 0.50000000000000 0.85559495174568 0.46929983376597 78.960 > 25 63 Se 0.83333333333333 0.85559495174568 0.46929983376597 78.960 > 25 64 Se 0.16666666666667 0.85559495174568 0.96929983376597 78.960 > 25 65 Se 0.50000000000000 0.85559495174568 0.96929983376597 78.960 > 25 66 Se 0.83333333333333 0.85559495174568 0.96929983376597 78.960 > 25 67 Se 0.00000000000000 0.64440504825432 0.03070016623403 78.960 > 31 68 Se 0.33333333333333 0.64440504825432 0.03070016623403 78.960 > 31 69 Se 0.66666666666667 0.64440504825432 0.03070016623403 78.960 > 31 70 Se 0.00000000000000 0.64440504825432 0.53070016623403 78.960 > 31 71 Se 0.33333333333333 0.64440504825432 0.53070016623403 78.960 > 31 72 Se 0.66666666666667 0.64440504825432 0.53070016623403 78.960 > 31 73 Nd 0.16666666666667 0.24830708440240 0.37500000000000 144.242 > 73 74 Nd 0.50000000000000 0.24830708440240 0.37500000000000 144.242 > 73 75 Nd 0.83333333333333 0.24830708440240 0.37500000000000 144.242 > 73 76 Nd 0.16666666666667 0.24830708440240 0.87500000000000 144.242 > 73 77 Nd 0.50000000000000 0.24830708440240 0.87500000000000 144.242 > 73 78 Nd 0.83333333333333 0.24830708440240 0.87500000000000 144.242 > 73 79 Nd 0.00000000000000 0.25169291559760 0.12500000000000 144.242 > 79 80 Nd 0.33333333333333 0.25169291559760 0.12500000000000 144.242 > 79 81 Nd 0.66666666666667 0.25169291559760 0.12500000000000 144.242 > 79 82 Nd 0.00000000000000 0.25169291559760 0.62500000000000 144.242 > 79 83 Nd 0.33333333333333 0.25169291559760 0.62500000000000 144.242 > 79 84 Nd 0.66666666666667 0.25169291559760 0.62500000000000 144.242 > 79 85 Nd 0.00000000000000 0.74830708440240 0.37500000000000 144.242 > 73 86 Nd 0.33333333333333 0.74830708440240 0.37500000000000 144.242 > 73 87 Nd 0.66666666666667 0.74830708440240 0.37500000000000 144.242 > 73 88 Nd 0.00000000000000 0.74830708440240 0.87500000000000 144.242 > 73 89 Nd 0.33333333333333 0.74830708440240 0.87500000000000 144.242 > 73 90 Nd 0.66666666666667 0.74830708440240 0.87500000000000 144.242 > 73 91 Nd 0.16666666666667 0.75169291559760 0.12500000000000 144.242 > 79 92 Nd 0.50000000000000 0.75169291559760 0.12500000000000 144.242 > 79 93 Nd 0.83333333333333 0.75169291559760 0.12500000000000 144.242 > 79 94 Nd 0.16666666666667 0.75169291559760 0.62500000000000 144.242 > 79 95 Nd 0.50000000000000 0.75169291559760 0.62500000000000 144.242 > 79 96 Nd 0.83333333333333 0.75169291559760 0.62500000000000 144.242 > 79 97 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 97 98 Lu 0.33333333333333 0.00000000000000 0.00000000000000 174.967 > 97 99 Lu 0.66666666666667 0.00000000000000 0.00000000000000 174.967 > 97 100 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 97 101 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 97 102 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 97 103 Lu 0.00000000000000 0.00000000000000 0.25000000000000 174.967 > 103 104 Lu 0.33333333333333 0.00000000000000 0.25000000000000 174.967 > 103 105 Lu 0.66666666666667 0.00000000000000 0.25000000000000 174.967 > 103 106 Lu 0.00000000000000 0.00000000000000 0.75000000000000 174.967 > 103 107 Lu 0.33333333333333 0.00000000000000 0.75000000000000 174.967 > 103 108 Lu 0.66666666666667 0.00000000000000 0.75000000000000 174.967 > 103 109 Lu 0.16666666666667 0.50000000000000 0.00000000000000 174.967 > 97 110 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 97 111 Lu 0.83333333333333 0.50000000000000 0.00000000000000 174.967 > 97 112 Lu 0.16666666666667 0.50000000000000 0.50000000000000 174.967 > 97 113 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 97 114 Lu 0.83333333333333 0.50000000000000 0.50000000000000 174.967 > 97 115 Lu 0.16666666666667 0.50000000000000 0.25000000000000 174.967 > 103 116 Lu 0.50000000000000 0.50000000000000 0.25000000000000 174.967 > 103 117 Lu 0.83333333333333 0.50000000000000 0.25000000000000 174.967 > 103 118 Lu 0.16666666666667 0.50000000000000 0.75000000000000 174.967 > 103 119 Lu 0.50000000000000 0.50000000000000 0.75000000000000 174.967 > 103 120 Lu 0.83333333333333 0.50000000000000 0.75000000000000 174.967 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.5775910 0.0000000 0.0000000 0.0000000 8.9151397 0.0000000 0.0000000 0.0000000 9.4002320 -------------------------- Born effective charges -------------------------- 1 Se -2.2075757 0.0000000 0.0000000 0.0000000 -2.7358876 0.0000000 0.0000000 0.0000000 -3.1207473 2 Se -2.2075757 0.0000000 0.0000000 0.0000000 -2.7358876 0.0000000 0.0000000 0.0000000 -3.1207473 3 Se -3.5641857 0.0000000 0.0000000 0.0000000 -2.5640899 0.5252859 0.0000000 0.8763775 -2.2576639 4 Se -3.5641857 0.0000000 0.0000000 0.0000000 -2.5640899 0.5252859 0.0000000 0.8763775 -2.2576639 5 Se -3.5641857 0.0000000 0.0000000 0.0000000 -2.5640899 -0.5252859 0.0000000 -0.8763775 -2.2576639 6 Se -3.5641857 0.0000000 0.0000000 0.0000000 -2.5640899 -0.5252859 0.0000000 -0.8763775 -2.2576639 7 Nd 4.7052528 0.0000000 0.0000000 0.0000000 3.7126754 0.0000000 0.0000000 0.0000000 3.8379008 8 Nd 4.7052528 0.0000000 0.0000000 0.0000000 3.7126754 0.0000000 0.0000000 0.0000000 3.8379008 9 Lu 4.6306944 0.0000000 0.0000000 0.0000000 4.1513920 -0.8439738 0.0000000 -0.1926980 3.7981743 10 Lu 4.6306944 0.0000000 0.0000000 0.0000000 4.1513920 0.8439738 0.0000000 0.1926980 3.7981743 ---------------------------------------------------------------------------- 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[ 13, 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[ 73, 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: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (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 00:15:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:15:40]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.986210094999999 -6.437573450000000 0.000000000000000 b 1.986210094999999 6.437573450000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819402530000000 Atomic positions (fractional): 1 Se 0.08510019708877 0.91489980291123 0.25000000000000 78.960 2 Se 0.91489980291123 0.08510019708877 0.75000000000000 78.960 3 Se 0.64440504825432 0.35559495174568 0.56140033246806 78.960 4 Se 0.35559495174568 0.64440504825432 0.43859966753194 78.960 5 Se 0.64440504825432 0.35559495174568 0.93859966753194 78.960 6 Se 0.35559495174568 0.64440504825432 0.06140033246806 78.960 7 Nd 0.25169291559760 0.74830708440240 0.75000000000000 144.242 8 Nd 0.74830708440240 0.25169291559760 0.25000000000000 144.242 9 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 10 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.917260569999995 0.000000000000000 0.000000000000000 b 0.000000000000000 12.875146900000001 0.000000000000000 c 0.000000000000000 0.000000000000000 19.638805059999999 Atomic positions (fractional): 1 Se 0.16666666666667 0.41489980291123 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.41489980291123 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.41489980291123 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.41489980291123 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.41489980291123 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.41489980291123 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.08510019708877 0.37500000000000 78.960 > 7 8 Se 0.33333333333333 0.08510019708877 0.37500000000000 78.960 > 7 9 Se 0.66666666666667 0.08510019708877 0.37500000000000 78.960 > 7 10 Se 0.00000000000000 0.08510019708877 0.87500000000000 78.960 > 7 11 Se 0.33333333333333 0.08510019708877 0.87500000000000 78.960 > 7 12 Se 0.66666666666667 0.08510019708877 0.87500000000000 78.960 > 7 13 Se 0.00000000000000 0.35559495174568 0.28070016623403 78.960 > 13 14 Se 0.33333333333333 0.35559495174568 0.28070016623403 78.960 > 13 15 Se 0.66666666666667 0.35559495174568 0.28070016623403 78.960 > 13 16 Se 0.00000000000000 0.35559495174568 0.78070016623403 78.960 > 13 17 Se 0.33333333333333 0.35559495174568 0.78070016623403 78.960 > 13 18 Se 0.66666666666667 0.35559495174568 0.78070016623403 78.960 > 13 19 Se 0.16666666666667 0.14440504825432 0.21929983376597 78.960 > 19 20 Se 0.50000000000000 0.14440504825432 0.21929983376597 78.960 > 19 21 Se 0.83333333333333 0.14440504825432 0.21929983376597 78.960 > 19 22 Se 0.16666666666667 0.14440504825432 0.71929983376597 78.960 > 19 23 Se 0.50000000000000 0.14440504825432 0.71929983376597 78.960 > 19 24 Se 0.83333333333333 0.14440504825432 0.71929983376597 78.960 > 19 25 Se 0.00000000000000 0.35559495174568 0.46929983376597 78.960 > 25 26 Se 0.33333333333333 0.35559495174568 0.46929983376597 78.960 > 25 27 Se 0.66666666666667 0.35559495174568 0.46929983376597 78.960 > 25 28 Se 0.00000000000000 0.35559495174568 0.96929983376597 78.960 > 25 29 Se 0.33333333333333 0.35559495174568 0.96929983376597 78.960 > 25 30 Se 0.66666666666667 0.35559495174568 0.96929983376597 78.960 > 25 31 Se 0.16666666666667 0.14440504825432 0.03070016623403 78.960 > 31 32 Se 0.50000000000000 0.14440504825432 0.03070016623403 78.960 > 31 33 Se 0.83333333333333 0.14440504825432 0.03070016623403 78.960 > 31 34 Se 0.16666666666667 0.14440504825432 0.53070016623403 78.960 > 31 35 Se 0.50000000000000 0.14440504825432 0.53070016623403 78.960 > 31 36 Se 0.83333333333333 0.14440504825432 0.53070016623403 78.960 > 31 37 Se 0.00000000000000 0.91489980291123 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.91489980291123 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.91489980291123 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.91489980291123 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.91489980291123 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.91489980291123 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.58510019708877 0.37500000000000 78.960 > 7 44 Se 0.50000000000000 0.58510019708877 0.37500000000000 78.960 > 7 45 Se 0.83333333333333 0.58510019708877 0.37500000000000 78.960 > 7 46 Se 0.16666666666667 0.58510019708877 0.87500000000000 78.960 > 7 47 Se 0.50000000000000 0.58510019708877 0.87500000000000 78.960 > 7 48 Se 0.83333333333333 0.58510019708877 0.87500000000000 78.960 > 7 49 Se 0.16666666666667 0.85559495174568 0.28070016623403 78.960 > 13 50 Se 0.50000000000000 0.85559495174568 0.28070016623403 78.960 > 13 51 Se 0.83333333333333 0.85559495174568 0.28070016623403 78.960 > 13 52 Se 0.16666666666667 0.85559495174568 0.78070016623403 78.960 > 13 53 Se 0.50000000000000 0.85559495174568 0.78070016623403 78.960 > 13 54 Se 0.83333333333333 0.85559495174568 0.78070016623403 78.960 > 13 55 Se 0.00000000000000 0.64440504825432 0.21929983376597 78.960 > 19 56 Se 0.33333333333333 0.64440504825432 0.21929983376597 78.960 > 19 57 Se 0.66666666666667 0.64440504825432 0.21929983376597 78.960 > 19 58 Se 0.00000000000000 0.64440504825432 0.71929983376597 78.960 > 19 59 Se 0.33333333333333 0.64440504825432 0.71929983376597 78.960 > 19 60 Se 0.66666666666667 0.64440504825432 0.71929983376597 78.960 > 19 61 Se 0.16666666666667 0.85559495174568 0.46929983376597 78.960 > 25 62 Se 0.50000000000000 0.85559495174568 0.46929983376597 78.960 > 25 63 Se 0.83333333333333 0.85559495174568 0.46929983376597 78.960 > 25 64 Se 0.16666666666667 0.85559495174568 0.96929983376597 78.960 > 25 65 Se 0.50000000000000 0.85559495174568 0.96929983376597 78.960 > 25 66 Se 0.83333333333333 0.85559495174568 0.96929983376597 78.960 > 25 67 Se 0.00000000000000 0.64440504825432 0.03070016623403 78.960 > 31 68 Se 0.33333333333333 0.64440504825432 0.03070016623403 78.960 > 31 69 Se 0.66666666666667 0.64440504825432 0.03070016623403 78.960 > 31 70 Se 0.00000000000000 0.64440504825432 0.53070016623403 78.960 > 31 71 Se 0.33333333333333 0.64440504825432 0.53070016623403 78.960 > 31 72 Se 0.66666666666667 0.64440504825432 0.53070016623403 78.960 > 31 73 Nd 0.16666666666667 0.24830708440240 0.37500000000000 144.242 > 73 74 Nd 0.50000000000000 0.24830708440240 0.37500000000000 144.242 > 73 75 Nd 0.83333333333333 0.24830708440240 0.37500000000000 144.242 > 73 76 Nd 0.16666666666667 0.24830708440240 0.87500000000000 144.242 > 73 77 Nd 0.50000000000000 0.24830708440240 0.87500000000000 144.242 > 73 78 Nd 0.83333333333333 0.24830708440240 0.87500000000000 144.242 > 73 79 Nd 0.00000000000000 0.25169291559760 0.12500000000000 144.242 > 79 80 Nd 0.33333333333333 0.25169291559760 0.12500000000000 144.242 > 79 81 Nd 0.66666666666667 0.25169291559760 0.12500000000000 144.242 > 79 82 Nd 0.00000000000000 0.25169291559760 0.62500000000000 144.242 > 79 83 Nd 0.33333333333333 0.25169291559760 0.62500000000000 144.242 > 79 84 Nd 0.66666666666667 0.25169291559760 0.62500000000000 144.242 > 79 85 Nd 0.00000000000000 0.74830708440240 0.37500000000000 144.242 > 73 86 Nd 0.33333333333333 0.74830708440240 0.37500000000000 144.242 > 73 87 Nd 0.66666666666667 0.74830708440240 0.37500000000000 144.242 > 73 88 Nd 0.00000000000000 0.74830708440240 0.87500000000000 144.242 > 73 89 Nd 0.33333333333333 0.74830708440240 0.87500000000000 144.242 > 73 90 Nd 0.66666666666667 0.74830708440240 0.87500000000000 144.242 > 73 91 Nd 0.16666666666667 0.75169291559760 0.12500000000000 144.242 > 79 92 Nd 0.50000000000000 0.75169291559760 0.12500000000000 144.242 > 79 93 Nd 0.83333333333333 0.75169291559760 0.12500000000000 144.242 > 79 94 Nd 0.16666666666667 0.75169291559760 0.62500000000000 144.242 > 79 95 Nd 0.50000000000000 0.75169291559760 0.62500000000000 144.242 > 79 96 Nd 0.83333333333333 0.75169291559760 0.62500000000000 144.242 > 79 97 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 97 98 Lu 0.33333333333333 0.00000000000000 0.00000000000000 174.967 > 97 99 Lu 0.66666666666667 0.00000000000000 0.00000000000000 174.967 > 97 100 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 97 101 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 97 102 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 97 103 Lu 0.00000000000000 0.00000000000000 0.25000000000000 174.967 > 103 104 Lu 0.33333333333333 0.00000000000000 0.25000000000000 174.967 > 103 105 Lu 0.66666666666667 0.00000000000000 0.25000000000000 174.967 > 103 106 Lu 0.00000000000000 0.00000000000000 0.75000000000000 174.967 > 103 107 Lu 0.33333333333333 0.00000000000000 0.75000000000000 174.967 > 103 108 Lu 0.66666666666667 0.00000000000000 0.75000000000000 174.967 > 103 109 Lu 0.16666666666667 0.50000000000000 0.00000000000000 174.967 > 97 110 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 97 111 Lu 0.83333333333333 0.50000000000000 0.00000000000000 174.967 > 97 112 Lu 0.16666666666667 0.50000000000000 0.50000000000000 174.967 > 97 113 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 97 114 Lu 0.83333333333333 0.50000000000000 0.50000000000000 174.967 > 97 115 Lu 0.16666666666667 0.50000000000000 0.25000000000000 174.967 > 103 116 Lu 0.50000000000000 0.50000000000000 0.25000000000000 174.967 > 103 117 Lu 0.83333333333333 0.50000000000000 0.25000000000000 174.967 > 103 118 Lu 0.16666666666667 0.50000000000000 0.75000000000000 174.967 > 103 119 Lu 0.50000000000000 0.50000000000000 0.75000000000000 174.967 > 103 120 Lu 0.83333333333333 0.50000000000000 0.75000000000000 174.967 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.5775910 0.0000000 0.0000000 0.0000000 8.9151397 0.0000000 0.0000000 0.0000000 9.4002320 -------------------------- Born effective charges -------------------------- 1 Se -2.2075757 0.0000000 0.0000000 0.0000000 -2.7358876 0.0000000 0.0000000 0.0000000 -3.1207473 2 Se -2.2075757 0.0000000 0.0000000 0.0000000 -2.7358876 0.0000000 0.0000000 0.0000000 -3.1207473 3 Se -3.5641857 0.0000000 0.0000000 0.0000000 -2.5640899 0.5252859 0.0000000 0.8763775 -2.2576639 4 Se -3.5641857 0.0000000 0.0000000 0.0000000 -2.5640899 0.5252859 0.0000000 0.8763775 -2.2576639 5 Se -3.5641857 0.0000000 0.0000000 0.0000000 -2.5640899 -0.5252859 0.0000000 -0.8763775 -2.2576639 6 Se -3.5641857 0.0000000 0.0000000 0.0000000 -2.5640899 -0.5252859 0.0000000 -0.8763775 -2.2576639 7 Nd 4.7052528 0.0000000 0.0000000 0.0000000 3.7126754 0.0000000 0.0000000 0.0000000 3.8379008 8 Nd 4.7052528 0.0000000 0.0000000 0.0000000 3.7126754 0.0000000 0.0000000 0.0000000 3.8379008 9 Lu 4.6306944 0.0000000 0.0000000 0.0000000 4.1513920 -0.8439738 0.0000000 -0.1926980 3.7981743 10 Lu 4.6306944 0.0000000 0.0000000 0.0000000 4.1513920 0.8439738 0.0000000 0.1926980 3.7981743 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 5 ] 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: 0.66, Number of G-points: 299, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.399 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 6.453 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 19.451 -5.710 0.000) 20.272 0.459 ( 23.895 1.179 0.000) 23.924 0.847 ( 38.855 -13.636 0.000) 41.178 1.422 ( 2.392 -0.686 0.000) 2.489 1.750 ( 3.238 0.860 0.000) 3.350 2.013 ( 0.016 6.049 0.000) 6.049 2.079 ( 2.876 -3.851 0.000) 4.807 2.147 ( 2.752 8.223 0.000) 8.671 2.253 ( 3.230 -8.528 0.000) 9.119 2.525 ( 4.327 7.963 0.000) 9.063 2.894 ( -3.948 -1.061 0.000) 4.088 3.165 ( 2.893 -4.462 0.000) 5.317 3.304 ( -1.706 -1.749 0.000) 2.443 3.313 ( -4.879 8.914 0.000) 10.162 3.503 ( -2.492 -7.701 0.000) 8.094 3.981 ( 6.382 0.144 0.000) 6.384 4.131 ( 4.616 0.398 0.000) 4.633 4.139 ( 9.550 -0.044 0.000) 9.550 4.431 ( -2.721 2.658 0.000) 3.804 4.550 ( 1.264 0.166 0.000) 1.275 4.640 ( 0.112 -1.089 0.000) 1.094 4.738 ( -0.992 3.691 0.000) 3.822 4.908 ( 5.175 5.040 0.000) 7.224 5.087 ( -2.299 0.757 0.000) 2.420 5.099 ( -0.991 0.557 0.000) 1.137 5.495 ( -2.866 -2.520 0.000) 3.816 5.547 ( -3.936 0.299 0.000) 3.947 6.322 ( -0.039 0.046 0.000) 0.060 6.327 ( -1.299 2.195 0.000) 2.550 6.431 ( -2.002 0.417 0.000) 2.045 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 17.370 -5.008 0.000) 18.077 0.906 ( 22.801 1.126 0.000) 22.829 1.507 ( 6.026 -0.912 0.000) 6.095 1.650 ( 35.786 -10.556 0.000) 37.310 1.829 ( 5.308 1.229 0.000) 5.448 1.961 ( -0.215 8.182 0.000) 8.184 2.168 ( 3.673 5.746 0.000) 6.820 2.175 ( 4.121 -4.530 0.000) 6.124 2.384 ( 5.111 -5.780 0.000) 7.715 2.607 ( 7.441 4.448 0.000) 8.669 2.808 ( -4.310 0.223 0.000) 4.316 3.139 ( -7.915 6.513 0.000) 10.250 3.261 ( -1.669 0.040 0.000) 1.670 3.269 ( 3.626 -0.437 0.000) 3.652 3.485 ( -3.218 -5.289 0.000) 6.191 4.110 ( 5.038 -1.206 0.000) 5.180 4.242 ( 6.630 0.672 0.000) 6.664 4.359 ( 12.116 1.024 0.000) 12.159 4.374 ( 0.053 1.517 0.000) 1.518 4.554 ( -1.346 -1.303 0.000) 1.873 4.677 ( 3.241 -0.526 0.000) 3.283 4.696 ( -1.670 1.291 0.000) 2.111 4.978 ( 2.754 2.682 0.000) 3.844 5.031 ( -1.725 -0.208 0.000) 1.738 5.067 ( -1.575 1.312 0.000) 2.050 5.427 ( -6.474 -1.169 0.000) 6.579 5.443 ( -5.477 -0.852 0.000) 5.543 6.268 ( -2.658 4.806 0.000) 5.492 6.319 ( -0.159 0.228 0.000) 0.278 6.381 ( -2.650 0.368 0.000) 2.676 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 13.613 -3.950 0.000) 14.174 1.318 ( 20.082 0.902 0.000) 20.102 1.667 ( 9.548 -1.467 0.000) 9.660 1.920 ( 2.012 7.828 0.000) 8.083 1.934 ( 6.238 1.056 0.000) 6.327 2.220 ( 4.631 4.038 0.000) 6.144 2.247 ( 9.167 -2.451 0.000) 9.490 2.364 ( 21.306 -6.080 0.000) 22.157 2.491 ( 2.757 -2.518 0.000) 3.733 2.728 ( 1.049 -2.242 0.000) 2.475 2.744 ( 2.675 -0.494 0.000) 2.720 2.940 ( -9.913 1.378 0.000) 10.008 3.175 ( -3.787 4.780 0.000) 6.098 3.358 ( 4.776 1.209 0.000) 4.927 3.448 ( -2.427 -0.988 0.000) 2.620 4.164 ( 0.520 -3.577 0.000) 3.614 4.367 ( 6.410 0.798 0.000) 6.460 4.450 ( 6.467 -0.417 0.000) 6.480 4.512 ( -0.242 0.043 0.000) 0.246 4.563 ( 5.867 1.176 0.000) 5.984 4.664 ( -0.977 -0.494 0.000) 1.095 4.762 ( 4.697 -1.557 0.000) 4.949 4.933 ( -3.130 1.218 0.000) 3.358 5.034 ( -0.370 2.157 0.000) 2.189 5.068 ( 2.266 0.146 0.000) 2.271 5.271 ( -7.994 1.951 0.000) 8.229 5.355 ( -4.747 -1.443 0.000) 4.962 6.165 ( -4.396 6.873 0.000) 8.159 6.309 ( -0.777 0.731 0.000) 1.067 6.338 ( -1.466 -0.314 0.000) 1.499 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 8.460 -2.615 0.000) 8.855 1.661 ( 15.403 0.411 0.000) 15.408 1.881 ( 10.972 -2.144 0.000) 11.180 1.939 ( 3.719 5.282 0.000) 6.460 2.056 ( 6.893 0.931 0.000) 6.955 2.290 ( 3.908 2.128 0.000) 4.449 2.351 ( 3.319 0.213 0.000) 3.325 2.500 ( -2.234 1.241 0.000) 2.555 2.605 ( -6.051 -1.056 0.000) 6.142 2.621 ( 0.633 2.802 0.000) 2.873 2.759 ( -8.831 -3.721 0.000) 9.583 2.976 ( 6.787 -3.013 0.000) 7.426 3.162 ( 9.632 2.286 0.000) 9.900 3.402 ( -1.958 3.026 0.000) 3.604 3.455 ( 4.786 -4.499 0.000) 6.568 4.219 ( 3.971 -2.045 0.000) 4.467 4.449 ( 2.011 1.021 0.000) 2.256 4.489 ( -1.402 -1.163 0.000) 1.821 4.567 ( 4.252 -1.273 0.000) 4.439 4.635 ( 2.775 3.296 0.000) 4.309 4.694 ( 4.050 -1.350 0.000) 4.269 4.856 ( 3.096 -2.593 0.000) 4.038 4.875 ( -2.411 -0.355 0.000) 2.437 5.040 ( 2.360 2.673 0.000) 3.565 5.040 ( -6.014 0.079 0.000) 6.015 5.160 ( -0.459 2.817 0.000) 2.854 5.287 ( -2.667 -0.495 0.000) 2.712 6.016 ( -6.412 8.152 0.000) 10.372 6.288 ( -0.634 0.532 0.000) 0.828 6.322 ( -0.632 -0.329 0.000) 0.712 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 3.790 -1.252 0.000) 3.991 1.900 ( 9.149 -0.140 0.000) 9.150 1.982 ( 2.973 4.147 0.000) 5.103 2.094 ( 8.717 -1.865 0.000) 8.914 2.180 ( 5.769 0.620 0.000) 5.802 2.303 ( -2.118 0.303 0.000) 2.140 2.337 ( -4.819 8.714 0.000) 9.957 2.401 ( -6.692 -2.751 0.000) 7.236 2.450 ( 0.236 1.864 0.000) 1.879 2.649 ( -5.530 -4.459 0.000) 7.104 2.720 ( 6.553 -2.093 0.000) 6.879 3.014 ( -0.628 -1.964 0.000) 2.062 3.313 ( 1.353 -2.178 0.000) 2.563 3.332 ( -2.689 4.771 0.000) 5.476 3.621 ( 9.111 -1.852 0.000) 9.297 4.346 ( 6.604 -2.181 0.000) 6.955 4.454 ( 1.150 2.619 0.000) 2.861 4.475 ( -0.655 -0.755 0.000) 1.000 4.605 ( -0.763 0.913 0.000) 1.189 4.659 ( 1.856 2.154 0.000) 2.843 4.811 ( 4.521 -2.089 0.000) 4.980 4.838 ( -0.990 -0.439 0.000) 1.083 4.914 ( 1.713 -2.208 0.000) 2.795 4.953 ( -1.336 -3.598 0.000) 3.838 5.069 ( 1.604 2.336 0.000) 2.834 5.151 ( 0.062 2.220 0.000) 2.220 5.257 ( -0.772 -0.100 0.000) 0.779 5.824 ( -7.998 8.199 0.000) 11.455 6.281 ( 0.104 0.281 0.000) 0.299 6.312 ( -0.664 -0.187 0.000) 0.689 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.972 -0.318 0.000) 1.023 1.971 ( -0.386 2.807 0.000) 2.833 2.029 ( 3.240 -0.132 0.000) 3.242 2.152 ( -1.780 -0.128 0.000) 1.784 2.199 ( -3.094 1.820 0.000) 3.590 2.265 ( 3.096 -0.918 0.000) 3.229 2.326 ( 3.761 1.026 0.000) 3.898 2.351 ( -1.262 -0.200 0.000) 1.278 2.457 ( -0.025 0.253 0.000) 0.255 2.590 ( -2.400 -2.257 0.000) 3.295 2.872 ( 7.118 -1.181 0.000) 7.215 2.987 ( -3.437 -0.831 0.000) 3.536 3.261 ( -1.645 2.521 0.000) 3.010 3.297 ( -2.149 -1.688 0.000) 2.733 3.759 ( 3.990 0.477 0.000) 4.019 4.404 ( -0.230 -1.115 0.000) 1.138 4.470 ( -0.179 -0.188 0.000) 0.259 4.497 ( 1.053 1.966 0.000) 2.230 4.596 ( 2.770 0.831 0.000) 2.892 4.680 ( 0.900 0.630 0.000) 1.099 4.754 ( -3.363 0.512 0.000) 3.402 4.953 ( 1.108 -1.166 0.000) 1.609 4.965 ( 3.763 -4.182 0.000) 5.625 5.007 ( 4.089 -2.391 0.000) 4.737 5.069 ( -0.125 1.235 0.000) 1.242 5.121 ( -2.123 1.818 0.000) 2.796 5.253 ( 0.196 -0.222 0.000) 0.296 5.639 ( -5.362 4.765 0.000) 7.174 6.286 ( 0.534 0.160 0.000) 0.558 6.299 ( -0.689 -0.128 0.000) 0.701 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 18.383 0.000 0.000) 18.383 0.918 ( 22.630 0.000 0.000) 22.630 1.502 ( 6.074 0.000 0.000) 6.074 1.582 ( 38.922 0.000 0.000) 38.922 1.836 ( 5.133 0.000 0.000) 5.133 2.020 ( -1.050 -0.000 0.000) 1.050 2.138 ( 4.378 0.000 0.000) 4.378 2.213 ( 1.930 0.000 0.000) 1.930 2.339 ( 7.133 0.000 0.000) 7.133 2.636 ( 5.193 0.000 0.000) 5.193 2.808 ( -5.037 -0.000 0.000) 5.037 3.184 ( -10.389 -0.000 0.000) 10.389 3.263 ( -2.103 -0.000 0.000) 2.103 3.263 ( 7.208 0.000 0.000) 7.208 3.448 ( -1.085 -0.000 0.000) 1.085 4.103 ( 4.355 0.000 0.000) 4.355 4.246 ( 6.724 0.000 0.000) 6.724 4.366 ( 12.591 0.000 0.000) 12.591 4.384 ( -0.968 -0.000 0.000) 0.968 4.546 ( -1.626 -0.000 0.000) 1.626 4.674 ( 3.348 0.000 0.000) 3.348 4.705 ( -2.568 -0.000 0.000) 2.568 4.998 ( 4.245 0.000 0.000) 4.245 5.025 ( -4.021 -0.000 0.000) 4.021 5.075 ( -1.509 -0.000 0.000) 1.509 5.416 ( -4.355 -0.000 0.000) 4.355 5.441 ( -6.731 -0.000 0.000) 6.731 6.299 ( -2.599 -0.000 0.000) 2.599 6.321 ( -0.078 -0.000 0.000) 0.078 6.383 ( -2.837 -0.000 0.000) 2.837 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 14.620 -1.425 0.000) 14.690 1.328 ( 19.732 0.565 0.000) 19.740 1.655 ( 9.401 -0.512 0.000) 9.415 1.943 ( 5.975 0.344 0.000) 5.985 1.991 ( -0.116 3.424 0.000) 3.426 2.231 ( 7.551 -0.204 0.000) 7.554 2.258 ( 3.400 1.871 0.000) 3.881 2.299 ( 29.024 -3.890 0.000) 29.284 2.466 ( 4.711 -1.330 0.000) 4.895 2.709 ( -4.703 -0.784 0.000) 4.768 2.741 ( 5.680 -0.095 0.000) 5.680 2.953 ( -12.546 0.621 0.000) 12.561 3.220 ( -1.642 2.229 0.000) 2.769 3.365 ( 1.995 0.096 0.000) 1.998 3.438 ( -0.358 -0.510 0.000) 0.623 4.132 ( 0.646 -1.475 0.000) 1.611 4.373 ( 6.108 0.221 0.000) 6.112 4.446 ( 5.942 -0.154 0.000) 5.944 4.507 ( -2.095 -0.383 0.000) 2.129 4.582 ( 8.910 1.145 0.000) 8.983 4.663 ( -1.229 0.057 0.000) 1.231 4.747 ( 3.701 -0.814 0.000) 3.789 4.941 ( -4.273 0.211 0.000) 4.278 5.051 ( -0.314 0.746 0.000) 0.810 5.069 ( 2.417 0.040 0.000) 2.417 5.296 ( -6.949 1.882 0.000) 7.199 5.336 ( -4.388 -1.536 0.000) 4.649 6.223 ( -4.552 2.500 0.000) 5.194 6.317 ( -0.373 0.510 0.000) 0.632 6.333 ( -2.026 -0.361 0.000) 2.058 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 9.365 -1.459 0.000) 9.478 1.664 ( 14.910 0.166 0.000) 14.911 1.860 ( 10.904 -1.214 0.000) 10.972 1.987 ( 1.722 2.675 0.000) 3.182 2.065 ( 6.878 0.488 0.000) 6.895 2.311 ( 2.423 1.292 0.000) 2.746 2.348 ( 5.374 -0.398 0.000) 5.389 2.514 ( -0.210 0.974 0.000) 0.996 2.597 ( -4.698 -0.199 0.000) 4.702 2.655 ( 2.396 2.144 0.000) 3.215 2.722 ( -10.628 -2.268 0.000) 10.867 2.947 ( 9.690 -1.719 0.000) 9.841 3.208 ( 5.537 5.567 0.000) 7.851 3.383 ( 1.911 -7.278 0.000) 7.525 3.428 ( -0.757 1.467 0.000) 1.651 4.201 ( 5.199 -1.020 0.000) 5.298 4.464 ( 3.240 1.371 0.000) 3.518 4.474 ( -1.529 -0.998 0.000) 1.826 4.548 ( 3.612 -1.700 0.000) 3.992 4.679 ( 3.187 3.660 0.000) 4.853 4.686 ( 4.056 -0.168 0.000) 4.060 4.823 ( 2.734 -2.768 0.000) 3.890 4.864 ( -3.777 -1.108 0.000) 3.936 5.048 ( -5.202 0.789 0.000) 5.261 5.065 ( 2.132 1.409 0.000) 2.555 5.194 ( -1.029 2.706 0.000) 2.895 5.275 ( -2.542 -1.269 0.000) 2.841 6.091 ( -6.881 4.381 0.000) 8.157 6.295 ( -0.843 0.572 0.000) 1.019 6.317 ( -0.523 -0.466 0.000) 0.700 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 4.477 -0.920 0.000) 4.570 1.896 ( 8.803 -0.389 0.000) 8.811 2.018 ( 2.391 1.884 0.000) 3.044 2.073 ( 9.570 -1.428 0.000) 9.676 2.187 ( 4.643 0.502 0.000) 4.670 2.307 ( -1.520 0.349 0.000) 1.560 2.385 ( -5.503 -0.335 0.000) 5.513 2.446 ( -3.795 9.098 0.000) 9.858 2.474 ( -0.987 2.082 0.000) 2.305 2.600 ( -4.616 -3.706 0.000) 5.920 2.698 ( 4.961 -1.432 0.000) 5.164 2.997 ( -0.429 -0.853 0.000) 0.955 3.238 ( -4.285 -8.833 0.000) 9.817 3.379 ( -2.981 3.091 0.000) 4.294 3.632 ( 15.729 2.580 0.000) 15.939 4.318 ( 5.034 -2.284 0.000) 5.528 4.460 ( -0.757 -1.427 0.000) 1.615 4.495 ( 2.936 3.880 0.000) 4.866 4.608 ( 0.654 -0.496 0.000) 0.820 4.699 ( 1.850 4.059 0.000) 4.461 4.784 ( 4.498 -1.700 0.000) 4.808 4.824 ( -1.417 -2.509 0.000) 2.882 4.881 ( 1.585 -3.176 0.000) 3.549 4.930 ( -3.920 -0.217 0.000) 3.926 5.093 ( 1.219 1.617 0.000) 2.025 5.179 ( -0.039 2.328 0.000) 2.328 5.251 ( -0.835 -0.833 0.000) 1.180 5.906 ( -9.061 5.364 0.000) 10.529 6.285 ( 0.009 0.333 0.000) 0.333 6.309 ( -0.613 -0.277 0.000) 0.673 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 1.383 -0.284 0.000) 1.412 1.996 ( -0.256 0.722 0.000) 0.766 2.035 ( 1.468 1.392 0.000) 2.023 2.155 ( -1.532 0.495 0.000) 1.610 2.220 ( -5.399 1.642 0.000) 5.643 2.247 ( 3.853 -1.753 0.000) 4.233 2.343 ( 3.114 1.547 0.000) 3.477 2.386 ( 0.276 6.266 0.000) 6.272 2.457 ( -0.780 -0.197 0.000) 0.804 2.566 ( -0.118 -1.717 0.000) 1.721 2.850 ( 7.698 -2.846 0.000) 8.207 2.978 ( -2.450 -0.601 0.000) 2.523 3.205 ( -4.360 -11.548 0.000) 12.344 3.289 ( -4.075 2.082 0.000) 4.576 3.824 ( 7.262 8.504 0.000) 11.183 4.384 ( 0.880 -2.033 0.000) 2.215 4.458 ( -0.463 -1.561 0.000) 1.628 4.521 ( -1.242 1.949 0.000) 2.312 4.607 ( 2.138 1.062 0.000) 2.388 4.707 ( 1.169 3.588 0.000) 3.774 4.760 ( -3.895 0.480 0.000) 3.924 4.909 ( 5.710 -4.907 0.000) 7.529 4.927 ( 1.215 -3.034 0.000) 3.268 4.973 ( 4.696 -3.017 0.000) 5.582 5.086 ( -0.831 1.385 0.000) 1.615 5.149 ( -1.757 2.626 0.000) 3.160 5.247 ( -0.057 -0.760 0.000) 0.762 5.694 ( -8.907 4.154 0.000) 9.828 6.289 ( 0.452 0.180 0.000) 0.487 6.297 ( -0.645 -0.161 0.000) 0.664 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -0.565 0.273 0.000) 0.627 1.943 ( -2.410 -1.592 0.000) 2.888 2.029 ( -3.480 -0.343 0.000) 3.497 2.158 ( 2.061 0.789 0.000) 2.207 2.179 ( 0.450 -1.364 0.000) 1.436 2.264 ( -2.101 -1.002 0.000) 2.328 2.323 ( -4.727 0.455 0.000) 4.748 2.386 ( 3.446 5.528 0.000) 6.514 2.452 ( -0.251 -0.487 0.000) 0.548 2.617 ( 4.766 2.237 0.000) 5.265 2.881 ( -6.045 0.245 0.000) 6.050 2.997 ( 4.671 0.735 0.000) 4.728 3.231 ( -1.319 -2.409 0.000) 2.746 3.234 ( 0.254 -10.619 0.000) 10.622 3.821 ( -1.645 9.259 0.000) 9.404 4.409 ( 1.197 -0.360 0.000) 1.250 4.461 ( -0.211 -1.616 0.000) 1.629 4.478 ( -2.636 -0.935 0.000) 2.797 4.586 ( -3.471 -0.934 0.000) 3.594 4.694 ( -0.572 2.836 0.000) 2.893 4.749 ( 2.366 -0.187 0.000) 2.373 4.951 ( -0.578 -1.661 0.000) 1.759 4.995 ( 1.148 0.468 0.000) 1.240 5.032 ( -3.508 1.859 0.000) 3.970 5.061 ( -0.995 -0.090 0.000) 0.999 5.111 ( 1.509 0.374 0.000) 1.554 5.252 ( -0.209 -0.447 0.000) 0.493 5.586 ( 0.049 -3.868 0.000) 3.868 6.285 ( -0.548 -0.114 0.000) 0.560 6.300 ( 0.661 0.076 0.000) 0.665 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -2.947 1.267 0.000) 3.207 1.896 ( -8.712 -0.874 0.000) 8.756 1.925 ( -4.447 -4.846 0.000) 6.578 2.114 ( -7.339 1.399 0.000) 7.471 2.174 ( -7.459 -0.199 0.000) 7.461 2.241 ( 3.128 -7.170 0.000) 7.823 2.301 ( 2.895 0.029 0.000) 2.895 2.429 ( -1.413 -1.632 0.000) 2.159 2.455 ( 7.419 6.240 0.000) 9.694 2.705 ( 6.527 5.032 0.000) 8.241 2.747 ( -6.293 2.308 0.000) 6.703 3.042 ( 1.421 2.679 0.000) 3.032 3.267 ( 1.978 -5.923 0.000) 6.244 3.281 ( -3.023 -6.656 0.000) 7.311 3.679 ( -7.298 6.676 0.000) 9.891 4.364 ( -7.804 0.562 0.000) 7.824 4.437 ( 1.308 -0.106 0.000) 1.312 4.471 ( 0.419 -1.427 0.000) 1.487 4.588 ( 1.245 -1.832 0.000) 2.215 4.656 ( -1.774 1.615 0.000) 2.399 4.804 ( 1.737 -2.034 0.000) 2.675 4.874 ( -6.418 4.847 0.000) 8.043 4.930 ( -1.607 0.345 0.000) 1.643 5.003 ( 1.141 4.364 0.000) 4.510 5.041 ( -2.236 -2.157 0.000) 3.106 5.129 ( -0.325 -1.460 0.000) 1.495 5.254 ( 0.515 -0.597 0.000) 0.788 5.714 ( 6.414 -10.003 0.000) 11.883 6.278 ( -0.146 -0.149 0.000) 0.209 6.313 ( 0.646 0.033 0.000) 0.647 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -7.092 3.235 0.000) 7.795 1.657 ( -15.376 -0.110 0.000) 15.376 1.866 ( -5.578 -6.803 0.000) 8.797 1.909 ( -11.069 2.455 0.000) 11.337 2.043 ( -6.954 -1.217 0.000) 7.059 2.263 ( -5.677 -2.180 0.000) 6.081 2.324 ( -0.400 -5.194 0.000) 5.210 2.486 ( 3.868 -1.115 0.000) 4.025 2.603 ( 6.542 1.628 0.000) 6.741 2.632 ( -0.977 2.506 0.000) 2.689 2.809 ( 7.094 4.634 0.000) 8.473 3.018 ( -4.095 3.976 0.000) 5.708 3.146 ( -10.459 -0.799 0.000) 10.489 3.356 ( 3.595 -4.636 0.000) 5.867 3.488 ( -9.355 1.075 0.000) 9.417 4.246 ( -2.706 2.205 0.000) 3.490 4.441 ( -1.876 -0.336 0.000) 1.906 4.493 ( 0.951 -0.884 0.000) 1.298 4.574 ( -4.047 -0.181 0.000) 4.051 4.614 ( -2.094 0.231 0.000) 2.107 4.724 ( -3.745 3.801 0.000) 5.336 4.866 ( 1.528 -1.823 0.000) 2.379 4.882 ( -3.169 1.774 0.000) 3.632 5.002 ( -2.837 -3.609 0.000) 4.590 5.053 ( 5.354 2.162 0.000) 5.774 5.131 ( 0.571 -1.943 0.000) 2.025 5.287 ( 2.793 -0.429 0.000) 2.826 5.901 ( 5.875 -10.890 0.000) 12.374 6.283 ( 0.505 -0.330 0.000) 0.603 6.325 ( 0.617 0.060 0.000) 0.620 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -11.933 5.645 0.000) 13.201 1.316 ( -19.178 1.004 0.000) 19.205 1.689 ( -9.769 2.081 0.000) 9.989 1.814 ( -4.217 -9.660 0.000) 10.540 1.918 ( -6.760 -1.665 0.000) 6.962 2.168 ( -5.708 -4.411 0.000) 7.213 2.276 ( -6.181 1.489 0.000) 6.357 2.432 ( -16.242 5.059 0.000) 17.012 2.520 ( -0.391 2.208 0.000) 2.242 2.754 ( -2.334 1.523 0.000) 2.787 2.765 ( -5.786 3.869 0.000) 6.960 2.923 ( 5.823 -1.207 0.000) 5.947 3.117 ( 3.689 -4.720 0.000) 5.991 3.335 ( -6.185 -2.589 0.000) 6.705 3.458 ( 5.480 0.395 0.000) 5.494 4.210 ( -0.473 3.657 0.000) 3.688 4.354 ( -7.013 -1.457 0.000) 7.163 4.455 ( -7.071 0.485 0.000) 7.088 4.495 ( -3.859 -2.427 0.000) 4.559 4.570 ( -0.466 2.166 0.000) 2.215 4.679 ( 0.278 2.137 0.000) 2.155 4.780 ( -5.646 1.342 0.000) 5.803 4.910 ( 1.829 -2.453 0.000) 3.060 5.001 ( 0.502 -3.340 0.000) 3.378 5.064 ( -2.481 -0.592 0.000) 2.550 5.253 ( 8.875 -0.972 0.000) 8.928 5.370 ( 5.881 1.280 0.000) 6.019 6.064 ( 4.587 -9.775 0.000) 10.798 6.301 ( 0.878 -0.587 0.000) 1.057 6.339 ( 1.096 -0.015 0.000) 1.096 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -15.016 8.312 0.000) 17.163 0.916 ( -20.198 3.783 0.000) 20.550 1.523 ( -5.947 1.637 0.000) 6.169 1.793 ( -19.660 5.705 0.000) 20.471 1.807 ( -5.823 -2.401 0.000) 6.299 1.860 ( -10.877 -1.767 0.000) 11.019 2.097 ( -4.840 -5.808 0.000) 7.560 2.222 ( -4.692 2.786 0.000) 5.457 2.456 ( -3.108 5.972 0.000) 6.732 2.545 ( -12.552 -5.152 0.000) 13.568 2.796 ( 2.193 -1.811 0.000) 2.844 3.050 ( 4.430 -7.815 0.000) 8.983 3.253 ( 6.162 -1.943 0.000) 6.461 3.275 ( -1.405 0.794 0.000) 1.614 3.553 ( 5.789 5.430 0.000) 7.938 4.128 ( -6.902 1.564 0.000) 7.077 4.233 ( -5.995 -0.477 0.000) 6.014 4.345 ( -11.004 -1.148 0.000) 11.063 4.351 ( -2.319 -2.156 0.000) 3.166 4.573 ( 0.219 1.653 0.000) 1.668 4.680 ( -0.361 -1.132 0.000) 1.188 4.687 ( -2.429 1.262 0.000) 2.737 4.941 ( -2.504 -3.410 0.000) 4.231 5.023 ( -0.408 -1.465 0.000) 1.520 5.045 ( 1.763 -2.467 0.000) 3.032 5.422 ( 7.238 -1.438 0.000) 7.379 5.479 ( 6.573 4.579 0.000) 8.011 6.194 ( 3.618 -7.146 0.000) 8.009 6.316 ( 0.345 -0.337 0.000) 0.482 6.374 ( 2.177 -0.714 0.000) 2.292 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -15.312 11.790 0.000) 19.325 0.536 ( -14.751 12.562 0.000) 19.375 1.088 ( -31.295 23.974 0.000) 39.422 1.438 ( -2.030 1.844 0.000) 2.743 1.729 ( -3.538 -2.694 0.000) 4.447 1.916 ( 0.233 -9.771 0.000) 9.774 2.053 ( -3.512 -7.346 0.000) 8.143 2.126 ( -3.225 3.552 0.000) 4.797 2.355 ( -2.258 8.397 0.000) 8.695 2.374 ( -9.422 -15.376 0.000) 18.034 2.885 ( 5.309 -3.461 0.000) 6.338 3.182 ( 2.950 -11.670 0.000) 12.037 3.243 ( 0.369 7.257 0.000) 7.267 3.343 ( 3.755 4.180 0.000) 5.619 3.606 ( 3.777 8.367 0.000) 9.180 3.976 ( -7.121 -0.662 0.000) 7.151 4.123 ( -4.898 -0.718 0.000) 4.951 4.141 ( -8.953 0.325 0.000) 8.959 4.380 ( 1.249 -5.143 0.000) 5.292 4.545 ( -2.086 -0.856 0.000) 2.255 4.663 ( -5.006 -7.320 0.000) 8.868 4.667 ( 0.770 3.248 0.000) 3.338 4.845 ( -8.493 -4.222 0.000) 9.484 5.063 ( 1.443 -3.241 0.000) 3.548 5.086 ( 1.104 -1.610 0.000) 1.952 5.536 ( 3.461 -0.443 0.000) 3.489 5.552 ( 4.027 5.575 0.000) 6.877 6.291 ( 3.209 -3.330 0.000) 4.625 6.321 ( 0.086 -0.110 0.000) 0.139 6.421 ( 1.811 -1.165 0.000) 2.153 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( -0.000 20.096 0.000) 20.096 0.300 ( -0.000 24.730 0.000) 24.730 0.437 ( -0.000 36.476 0.000) 36.476 1.409 ( -0.000 1.717 0.000) 1.717 1.708 ( 0.000 -2.040 0.000) 2.040 1.919 ( 0.000 -6.024 0.000) 6.024 2.063 ( 0.000 -8.315 0.000) 8.315 2.068 ( -0.000 4.208 0.000) 4.208 2.280 ( -0.000 9.111 0.000) 9.111 2.402 ( 0.000 -17.067 0.000) 17.067 3.045 ( 0.000 -8.888 0.000) 8.888 3.215 ( -0.000 10.181 0.000) 10.181 3.288 ( 0.000 -12.632 0.000) 12.632 3.356 ( -0.000 5.526 0.000) 5.526 3.591 ( -0.000 9.637 0.000) 9.637 3.903 ( 0.000 -1.499 0.000) 1.499 4.042 ( -0.000 0.739 0.000) 0.739 4.066 ( 0.000 -0.197 0.000) 0.197 4.336 ( -0.000 1.371 0.000) 1.371 4.522 ( 0.000 -5.816 0.000) 5.816 4.528 ( 0.000 -1.026 0.000) 1.026 4.657 ( -0.000 2.843 0.000) 2.843 4.759 ( 0.000 -0.973 0.000) 0.973 5.095 ( 0.000 -2.775 0.000) 2.775 5.104 ( 0.000 -0.999 0.000) 0.999 5.548 ( -0.000 5.104 0.000) 5.104 5.578 ( 0.000 -0.276 0.000) 0.276 6.322 ( 0.000 -0.048 0.000) 0.048 6.352 ( 0.000 -1.039 0.000) 1.039 6.447 ( 0.000 -0.974 0.000) 0.974 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 9.683 0.000 0.000) 9.683 1.665 ( 14.670 0.000 0.000) 14.670 1.853 ( 10.876 0.000 0.000) 10.876 2.003 ( 0.812 0.000 0.000) 0.812 2.068 ( 6.881 0.000 0.000) 6.881 2.319 ( 1.816 0.000 0.000) 1.816 2.345 ( 6.215 0.000 0.000) 6.215 2.521 ( 0.905 0.000 0.000) 0.905 2.596 ( -5.991 -0.000 0.000) 5.991 2.668 ( 5.556 0.000 0.000) 5.556 2.708 ( -11.582 -0.000 0.000) 11.582 2.937 ( 10.813 0.000 0.000) 10.813 3.290 ( 12.141 0.000 0.000) 12.141 3.291 ( -7.893 -0.000 0.000) 7.893 3.437 ( -0.310 -0.000 0.000) 0.310 4.195 ( 5.644 0.000 0.000) 5.644 4.468 ( -1.573 -0.000 0.000) 1.573 4.475 ( 4.476 0.000 0.000) 4.476 4.535 ( 2.694 0.000 0.000) 2.694 4.686 ( 3.985 0.000 0.000) 3.985 4.706 ( 3.566 0.000 0.000) 3.566 4.802 ( 2.345 0.000 0.000) 2.345 4.857 ( -4.303 -0.000 0.000) 4.303 5.053 ( -4.794 -0.000 0.000) 4.794 5.073 ( 2.059 0.000 0.000) 2.059 5.215 ( -1.356 -0.000 0.000) 1.356 5.264 ( -2.454 -0.000 0.000) 2.454 6.118 ( -7.069 -0.000 0.000) 7.069 6.299 ( -1.073 -0.000 0.000) 1.073 6.314 ( -0.330 -0.000 0.000) 0.330 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 4.860 -0.339 0.000) 4.872 1.892 ( 8.657 -0.177 0.000) 8.658 2.031 ( 2.003 0.398 0.000) 2.042 2.061 ( 9.984 -0.523 0.000) 9.998 2.191 ( 4.040 0.181 0.000) 4.044 2.310 ( -1.124 0.151 0.000) 1.134 2.385 ( -5.556 0.170 0.000) 5.559 2.497 ( -2.162 1.546 0.000) 2.657 2.535 ( 2.601 4.693 0.000) 5.365 2.563 ( -3.692 -2.100 0.000) 4.248 2.686 ( -0.115 -0.577 0.000) 0.589 2.994 ( -0.836 0.253 0.000) 0.874 3.143 ( -7.425 -5.434 0.000) 9.201 3.404 ( -3.065 1.071 0.000) 3.247 3.660 ( 19.804 1.413 0.000) 19.854 4.298 ( 3.945 -0.982 0.000) 4.066 4.447 ( -0.820 -0.613 0.000) 1.024 4.541 ( 3.376 3.348 0.000) 4.755 4.592 ( 2.541 -1.930 0.000) 3.191 4.745 ( 2.013 2.924 0.000) 3.550 4.775 ( 2.464 0.258 0.000) 2.477 4.791 ( -0.622 -2.319 0.000) 2.401 4.843 ( 1.297 -2.494 0.000) 2.811 4.934 ( -5.453 0.378 0.000) 5.466 5.107 ( 1.032 0.568 0.000) 1.178 5.204 ( -0.131 1.618 0.000) 1.623 5.238 ( -0.792 -1.081 0.000) 1.341 5.950 ( -9.603 1.866 0.000) 9.783 6.288 ( -0.093 0.181 0.000) 0.203 6.306 ( -0.535 -0.163 0.000) 0.559 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 1.689 -0.168 0.000) 1.697 1.995 ( 1.155 -0.345 0.000) 1.206 2.053 ( 0.034 1.118 0.000) 1.119 2.163 ( -1.600 0.790 0.000) 1.785 2.227 ( 4.433 -1.529 0.000) 4.690 2.236 ( -6.472 0.935 0.000) 6.539 2.360 ( 2.947 1.160 0.000) 3.167 2.453 ( -1.708 -0.475 0.000) 1.773 2.497 ( 0.399 11.871 0.000) 11.878 2.550 ( 1.631 -0.846 0.000) 1.837 2.789 ( 6.153 -8.080 0.000) 10.156 2.973 ( -1.597 -0.240 0.000) 1.615 3.074 ( -3.896 -8.578 0.000) 9.421 3.308 ( -5.637 1.179 0.000) 5.758 3.923 ( 9.294 6.914 0.000) 11.584 4.358 ( 1.621 -2.094 0.000) 2.648 4.440 ( -0.555 -1.204 0.000) 1.326 4.540 ( -3.230 1.098 0.000) 3.411 4.621 ( 1.050 1.161 0.000) 1.565 4.757 ( 1.382 4.416 0.000) 4.627 4.765 ( -3.471 0.493 0.000) 3.506 4.854 ( 6.636 -3.896 0.000) 7.695 4.885 ( 0.998 -3.825 0.000) 3.953 4.942 ( 4.625 -1.910 0.000) 5.004 5.100 ( -1.169 0.805 0.000) 1.419 5.179 ( -1.344 2.318 0.000) 2.679 5.236 ( -0.291 -1.187 0.000) 1.222 5.734 ( -10.816 2.371 0.000) 11.073 6.291 ( 0.341 0.166 0.000) 0.379 6.295 ( -0.558 -0.158 0.000) 0.580 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -0.251 0.177 0.000) 0.307 1.934 ( -4.792 -0.010 0.000) 4.792 2.021 ( -4.193 -1.010 0.000) 4.313 2.167 ( -1.544 -0.771 0.000) 1.726 2.171 ( 2.425 1.310 0.000) 2.756 2.246 ( -1.967 -1.828 0.000) 2.685 2.332 ( -5.060 0.800 0.000) 5.123 2.446 ( -0.160 -0.454 0.000) 0.482 2.479 ( 4.647 9.866 0.000) 10.906 2.641 ( 6.913 1.651 0.000) 7.108 2.872 ( -4.074 -2.466 0.000) 4.762 2.999 ( 5.916 -1.141 0.000) 6.025 3.094 ( -0.050 -10.350 0.000) 10.350 3.205 ( -4.182 -1.746 0.000) 4.532 3.939 ( -2.304 9.251 0.000) 9.534 4.396 ( 1.146 -1.615 0.000) 1.980 4.439 ( -0.420 -1.720 0.000) 1.771 4.475 ( -2.331 0.185 0.000) 2.339 4.574 ( -4.302 -1.005 0.000) 4.417 4.740 ( -0.428 4.511 0.000) 4.531 4.749 ( 1.353 0.220 0.000) 1.371 4.918 ( -0.255 -3.644 0.000) 3.652 4.988 ( 4.197 -0.957 0.000) 4.305 5.041 ( 1.469 -0.469 0.000) 1.543 5.064 ( -1.787 0.451 0.000) 1.843 5.130 ( -0.937 2.408 0.000) 2.584 5.242 ( 0.062 -1.221 0.000) 1.223 5.551 ( -5.714 -2.047 0.000) 6.070 6.284 ( -0.512 -0.061 0.000) 0.516 6.301 ( 0.588 0.030 0.000) 0.589 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -2.137 0.997 0.000) 2.358 1.862 ( -4.443 -3.975 0.000) 5.962 1.892 ( -9.662 -1.248 0.000) 9.742 2.124 ( -6.036 0.237 0.000) 6.041 2.166 ( -0.050 -5.393 0.000) 5.394 2.177 ( -9.162 0.553 0.000) 9.179 2.305 ( 4.165 0.556 0.000) 4.202 2.411 ( -2.773 -1.433 0.000) 3.122 2.548 ( 7.883 9.028 0.000) 11.985 2.768 ( 7.931 5.273 0.000) 9.524 2.773 ( -5.218 2.124 0.000) 5.633 3.075 ( 2.526 2.696 0.000) 3.695 3.176 ( -0.316 -10.278 0.000) 10.283 3.194 ( 0.572 -6.251 0.000) 6.277 3.756 ( -10.903 5.726 0.000) 12.315 4.363 ( -6.197 -0.480 0.000) 6.215 4.448 ( 0.213 -2.151 0.000) 2.162 4.449 ( 1.375 1.677 0.000) 2.168 4.563 ( 1.134 -2.392 0.000) 2.647 4.691 ( -1.682 4.001 0.000) 4.340 4.781 ( 1.151 -1.691 0.000) 2.046 4.918 ( -1.371 -2.430 0.000) 2.790 4.940 ( -5.973 5.845 0.000) 8.357 5.023 ( -2.926 -0.761 0.000) 3.023 5.046 ( 2.266 2.437 0.000) 3.327 5.123 ( -0.616 0.799 0.000) 1.009 5.243 ( 0.063 -1.095 0.000) 1.096 5.591 ( 4.208 -10.339 0.000) 11.163 6.277 ( -0.133 -0.019 0.000) 0.134 6.313 ( 0.570 -0.090 0.000) 0.577 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -5.465 3.164 0.000) 6.314 1.662 ( -13.891 1.188 0.000) 13.942 1.784 ( -6.860 -6.460 0.000) 9.423 1.936 ( -11.275 1.951 0.000) 11.442 2.028 ( -7.024 -1.262 0.000) 7.137 2.230 ( 0.904 -9.652 0.000) 9.694 2.241 ( -7.360 -1.401 0.000) 7.492 2.474 ( 5.005 -0.908 0.000) 5.087 2.655 ( -3.260 4.908 0.000) 5.892 2.668 ( 7.061 4.877 0.000) 8.582 2.869 ( 5.347 5.368 0.000) 7.577 3.069 ( -3.236 4.303 0.000) 5.384 3.133 ( -6.618 -1.705 0.000) 6.834 3.292 ( 5.429 -6.040 0.000) 8.121 3.485 ( -14.384 -1.280 0.000) 14.441 4.267 ( -2.332 1.182 0.000) 2.614 4.440 ( -2.775 0.140 0.000) 2.779 4.471 ( 0.524 -2.295 0.000) 2.354 4.565 ( -3.089 -1.252 0.000) 3.333 4.638 ( -1.345 3.464 0.000) 3.716 4.774 ( -2.765 2.977 0.000) 4.063 4.850 ( 0.757 0.858 0.000) 1.144 4.896 ( -2.363 0.185 0.000) 2.371 4.957 ( -4.149 -3.499 0.000) 5.428 5.075 ( 0.927 0.433 0.000) 1.023 5.126 ( 3.630 2.016 0.000) 4.152 5.278 ( 3.206 -0.929 0.000) 3.338 5.760 ( 5.443 -12.369 0.000) 13.514 6.280 ( 0.434 -0.099 0.000) 0.445 6.324 ( 0.534 -0.178 0.000) 0.563 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -10.031 6.270 0.000) 11.829 1.351 ( -15.868 5.128 0.000) 16.676 1.697 ( -6.338 -9.645 0.000) 11.541 1.713 ( -9.993 1.869 0.000) 10.166 1.897 ( -7.362 -1.773 0.000) 7.573 2.118 ( -6.499 -3.838 0.000) 7.548 2.258 ( -3.374 -5.029 0.000) 6.056 2.490 ( -12.316 4.961 0.000) 13.277 2.542 ( 1.760 1.460 0.000) 2.287 2.778 ( 1.821 2.521 0.000) 3.110 2.822 ( -13.643 5.550 0.000) 14.729 2.913 ( 1.481 -0.460 0.000) 1.551 3.068 ( -0.250 -3.244 0.000) 3.254 3.299 ( -4.899 -3.200 0.000) 5.852 3.455 ( 8.572 -0.852 0.000) 8.614 4.244 ( -0.458 1.898 0.000) 1.953 4.333 ( -7.757 -1.924 0.000) 7.992 4.461 ( -7.242 0.592 0.000) 7.266 4.466 ( -3.782 -2.169 0.000) 4.360 4.606 ( 0.606 3.600 0.000) 3.651 4.714 ( -1.161 3.393 0.000) 3.586 4.793 ( -6.367 0.808 0.000) 6.418 4.880 ( 1.172 -2.238 0.000) 2.526 4.955 ( 0.752 -4.188 0.000) 4.255 5.054 ( -2.881 -1.051 0.000) 3.067 5.245 ( 7.653 -0.542 0.000) 7.673 5.389 ( 8.356 2.046 0.000) 8.603 5.938 ( 5.572 -11.100 0.000) 12.420 6.295 ( 0.863 -0.339 0.000) 0.927 6.337 ( 0.798 -0.320 0.000) 0.860 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -12.545 9.399 0.000) 15.676 1.007 ( -13.909 11.339 0.000) 17.946 1.544 ( -5.975 1.809 0.000) 6.242 1.680 ( -2.079 -13.103 0.000) 13.267 1.774 ( -6.490 -2.817 0.000) 7.075 2.010 ( -23.582 14.946 0.000) 27.919 2.032 ( -5.307 -5.036 0.000) 7.316 2.226 ( -6.762 -2.682 0.000) 7.275 2.505 ( -16.912 -0.721 0.000) 16.928 2.522 ( -1.377 5.136 0.000) 5.317 2.766 ( -0.775 -3.115 0.000) 3.210 2.960 ( 1.400 -6.986 0.000) 7.125 3.209 ( 8.629 -5.337 0.000) 10.146 3.286 ( 1.471 1.024 0.000) 1.793 3.608 ( 7.584 3.634 0.000) 8.409 4.136 ( -9.194 -0.601 0.000) 9.214 4.241 ( -4.175 2.092 0.000) 4.670 4.325 ( -4.606 -2.150 0.000) 5.084 4.335 ( -9.611 -0.395 0.000) 9.619 4.590 ( -2.275 1.130 0.000) 2.541 4.672 ( -2.542 -0.073 0.000) 2.544 4.708 ( -0.303 2.171 0.000) 2.192 4.900 ( -2.421 -3.312 0.000) 4.102 4.998 ( -2.496 -2.602 0.000) 3.605 5.010 ( 2.059 -3.320 0.000) 3.907 5.397 ( 6.522 -2.706 0.000) 7.061 5.543 ( 8.986 5.866 0.000) 10.731 6.105 ( 5.883 -7.507 0.000) 9.538 6.312 ( 0.535 -0.305 0.000) 0.615 6.364 ( 1.595 -0.956 0.000) 1.860 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -10.725 13.865 0.000) 17.529 0.716 ( -4.967 20.369 0.000) 20.966 1.387 ( -24.799 25.341 0.000) 35.456 1.464 ( -1.412 2.306 0.000) 2.704 1.687 ( -4.331 -4.119 0.000) 5.976 1.781 ( 2.022 -12.942 0.000) 13.099 1.974 ( -3.765 -5.859 0.000) 6.965 2.129 ( -6.623 -7.720 0.000) 10.172 2.219 ( -12.329 -4.926 0.000) 13.277 2.451 ( -1.494 7.597 0.000) 7.742 2.817 ( 2.682 -7.163 0.000) 7.649 3.046 ( 1.540 -10.929 0.000) 11.037 3.317 ( 3.102 4.658 0.000) 5.597 3.379 ( 6.454 0.858 0.000) 6.511 3.695 ( 4.329 6.353 0.000) 7.688 3.965 ( -8.295 -1.344 0.000) 8.403 4.118 ( -5.511 0.060 0.000) 5.511 4.149 ( -8.088 1.008 0.000) 8.150 4.324 ( 0.928 -3.773 0.000) 3.885 4.529 ( -3.040 -1.627 0.000) 3.449 4.591 ( -8.496 -4.231 0.000) 9.491 4.715 ( 1.795 4.630 0.000) 4.965 4.803 ( -7.282 -3.124 0.000) 7.924 5.015 ( 0.700 -4.440 0.000) 4.495 5.061 ( 1.312 -2.465 0.000) 2.793 5.514 ( 3.505 -2.745 0.000) 4.452 5.640 ( 5.057 8.255 0.000) 9.681 6.251 ( 5.519 -3.442 0.000) 6.504 6.319 ( 0.163 -0.111 0.000) 0.197 6.404 ( 1.483 -1.663 0.000) 2.228 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -0.000 18.497 0.000) 18.497 0.587 ( -0.000 23.076 0.000) 23.076 0.870 ( -0.000 35.863 0.000) 35.863 1.438 ( -0.000 2.983 0.000) 2.983 1.670 ( 0.000 -4.456 0.000) 4.456 1.843 ( 0.000 -6.520 0.000) 6.520 1.972 ( 0.000 -6.754 0.000) 6.754 2.113 ( -0.000 3.185 0.000) 3.185 2.154 ( 0.000 -23.313 0.000) 23.313 2.387 ( -0.000 8.629 0.000) 8.629 2.923 ( 0.000 -10.924 0.000) 10.924 3.135 ( 0.000 -12.628 0.000) 12.628 3.331 ( -0.000 7.613 0.000) 7.613 3.424 ( -0.000 5.458 0.000) 5.458 3.695 ( -0.000 7.746 0.000) 7.746 3.879 ( 0.000 -2.332 0.000) 2.332 4.055 ( -0.000 1.440 0.000) 1.440 4.062 ( 0.000 -0.559 0.000) 0.559 4.359 ( -0.000 2.331 0.000) 2.331 4.438 ( 0.000 -7.384 0.000) 7.384 4.510 ( 0.000 -1.947 0.000) 1.947 4.704 ( -0.000 4.849 0.000) 4.849 4.742 ( 0.000 -1.788 0.000) 1.788 5.051 ( 0.000 -4.478 0.000) 4.478 5.087 ( 0.000 -1.887 0.000) 1.887 5.561 ( 0.000 -1.873 0.000) 1.873 5.637 ( -0.000 8.546 0.000) 8.546 6.321 ( 0.000 -0.058 0.000) 0.058 6.334 ( 0.000 -2.030 0.000) 2.030 6.431 ( 0.000 -1.732 0.000) 1.732 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 1.802 0.000 0.000) 1.802 1.993 ( 1.347 0.000 0.000) 1.347 2.059 ( 0.060 0.000 0.000) 0.060 2.169 ( -2.031 -0.000 0.000) 2.031 2.216 ( 5.031 0.000 0.000) 5.031 2.242 ( -6.755 -0.000 0.000) 6.755 2.368 ( 2.975 0.000 0.000) 2.975 2.449 ( -2.150 -0.000 0.000) 2.150 2.545 ( 2.268 0.000 0.000) 2.268 2.641 ( -1.644 -0.000 0.000) 1.644 2.668 ( 5.811 0.000 0.000) 5.811 2.972 ( -0.998 -0.000 0.000) 0.998 3.022 ( -2.349 -0.000 0.000) 2.349 3.316 ( -6.172 -0.000 0.000) 6.172 3.968 ( 10.163 0.000 0.000) 10.163 4.344 ( 1.792 0.000 0.000) 1.792 4.433 ( -0.571 -0.000 0.000) 0.571 4.546 ( -3.957 -0.000 0.000) 3.957 4.630 ( 0.078 0.000 0.000) 0.078 4.770 ( -3.157 -0.000 0.000) 3.157 4.795 ( 1.812 0.000 0.000) 1.812 4.827 ( 7.373 0.000 0.000) 7.373 4.851 ( 0.533 0.000 0.000) 0.533 4.931 ( 4.397 0.000 0.000) 4.397 5.105 ( -1.273 -0.000 0.000) 1.273 5.197 ( -1.230 -0.000 0.000) 1.230 5.225 ( -0.336 -0.000 0.000) 0.336 5.748 ( -11.413 -0.000 0.000) 11.413 6.292 ( 0.386 0.000 0.000) 0.386 6.294 ( -0.611 -0.000 0.000) 0.611 ======================= Grid point 43 (31/147) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -0.083 0.060 0.000) 0.103 1.938 ( -5.679 0.344 0.000) 5.689 2.009 ( -5.247 -0.645 0.000) 5.287 2.161 ( -2.527 -0.255 0.000) 2.540 2.187 ( 3.598 1.158 0.000) 3.780 2.225 ( -2.970 -1.365 0.000) 3.269 2.339 ( -5.209 0.333 0.000) 5.220 2.442 ( 0.023 -0.187 0.000) 0.189 2.611 ( 4.007 11.003 0.000) 11.710 2.655 ( 8.280 0.611 0.000) 8.303 2.797 ( 1.829 -9.474 0.000) 9.648 2.964 ( 0.561 -2.257 0.000) 2.326 3.038 ( 2.688 -0.758 0.000) 2.793 3.191 ( -6.014 -0.641 0.000) 6.048 4.022 ( -3.760 3.907 0.000) 5.422 4.378 ( 1.172 -1.026 0.000) 1.557 4.424 ( -0.480 -0.680 0.000) 0.833 4.478 ( -1.359 0.241 0.000) 1.380 4.564 ( -5.043 -0.503 0.000) 5.068 4.753 ( 0.625 0.195 0.000) 0.655 4.795 ( -0.448 4.081 0.000) 4.105 4.870 ( -0.163 -3.765 0.000) 3.768 4.980 ( 5.848 -0.324 0.000) 5.857 5.030 ( 4.681 -0.803 0.000) 4.750 5.069 ( -2.095 0.214 0.000) 2.106 5.157 ( -2.069 1.656 0.000) 2.650 5.226 ( 0.251 -1.082 0.000) 1.110 5.536 ( -9.281 -0.546 0.000) 9.297 6.283 ( -0.472 -0.018 0.000) 0.472 6.301 ( 0.526 0.006 0.000) 0.526 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -1.555 0.540 0.000) 1.646 1.825 ( -6.189 -2.145 0.000) 6.551 1.879 ( -8.361 -0.856 0.000) 8.405 2.115 ( -2.988 -3.002 0.000) 4.236 2.123 ( -5.806 -0.170 0.000) 5.809 2.184 ( -9.787 0.468 0.000) 9.798 2.313 ( 6.141 0.760 0.000) 6.188 2.396 ( -4.627 -1.038 0.000) 4.743 2.659 ( 6.327 8.602 0.000) 10.678 2.800 ( -2.279 2.701 0.000) 3.534 2.827 ( 10.203 4.279 0.000) 11.064 3.047 ( 1.854 -10.744 0.000) 10.902 3.103 ( 3.638 1.718 0.000) 4.023 3.125 ( -1.830 -4.899 0.000) 5.230 3.808 ( -14.706 2.921 0.000) 14.993 4.357 ( -4.447 -0.334 0.000) 4.460 4.426 ( 0.168 -1.349 0.000) 1.359 4.472 ( 0.894 2.156 0.000) 2.334 4.533 ( 0.815 -2.533 0.000) 2.660 4.744 ( -1.706 4.507 0.000) 4.819 4.766 ( 0.417 -0.795 0.000) 0.898 4.878 ( -1.382 -3.901 0.000) 4.139 5.003 ( -3.261 4.148 0.000) 5.276 5.020 ( -3.211 -0.009 0.000) 3.211 5.063 ( 0.618 0.907 0.000) 1.098 5.147 ( 2.032 2.687 0.000) 3.369 5.229 ( -0.574 -1.112 0.000) 1.251 5.477 ( 1.214 -8.022 0.000) 8.113 6.278 ( -0.089 0.036 0.000) 0.097 6.311 ( 0.480 -0.102 0.000) 0.491 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -3.909 2.339 0.000) 4.556 1.681 ( -10.520 0.902 0.000) 10.559 1.724 ( -7.748 -2.448 0.000) 8.126 1.954 ( -11.719 1.091 0.000) 11.770 2.014 ( -7.025 -1.132 0.000) 7.116 2.110 ( -1.049 -9.773 0.000) 9.829 2.231 ( -8.687 -0.340 0.000) 8.694 2.465 ( 5.834 -0.653 0.000) 5.871 2.686 ( -3.616 1.694 0.000) 3.993 2.766 ( 5.755 9.520 0.000) 11.124 2.937 ( 3.066 5.908 0.000) 6.656 3.082 ( -5.105 -4.062 0.000) 6.524 3.134 ( 1.374 3.464 0.000) 3.727 3.214 ( 7.717 -6.741 0.000) 10.246 3.464 ( -19.011 -2.008 0.000) 19.117 4.275 ( -2.746 0.183 0.000) 2.752 4.443 ( -4.371 0.314 0.000) 4.382 4.446 ( 0.665 -1.731 0.000) 1.854 4.548 ( -1.510 -1.448 0.000) 2.092 4.688 ( -1.045 4.668 0.000) 4.784 4.774 ( -0.578 -1.462 0.000) 1.572 4.874 ( -1.024 -3.856 0.000) 3.990 4.906 ( -1.813 6.758 0.000) 6.997 4.933 ( -5.951 -0.479 0.000) 5.971 5.066 ( -0.483 -1.411 0.000) 1.491 5.168 ( 3.021 3.890 0.000) 4.925 5.271 ( 5.118 0.416 0.000) 5.135 5.611 ( 5.101 -12.278 0.000) 13.296 6.280 ( 0.407 0.058 0.000) 0.411 6.321 ( 0.431 -0.267 0.000) 0.507 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -8.277 5.660 0.000) 10.028 1.439 ( -10.715 9.305 0.000) 14.191 1.592 ( -8.315 -7.452 0.000) 11.166 1.730 ( -10.202 0.772 0.000) 10.231 1.878 ( -7.711 -1.346 0.000) 7.828 2.079 ( -7.318 -2.575 0.000) 7.758 2.159 ( -1.925 -11.133 0.000) 11.298 2.547 ( -9.860 4.165 0.000) 10.704 2.556 ( 3.368 0.794 0.000) 3.460 2.815 ( -0.590 3.546 0.000) 3.594 2.888 ( -13.581 4.851 0.000) 14.422 2.912 ( -2.311 0.218 0.000) 2.322 3.039 ( -6.603 -1.800 0.000) 6.844 3.263 ( -1.482 -2.791 0.000) 3.160 3.439 ( 11.254 -1.761 0.000) 11.391 4.255 ( -0.470 0.046 0.000) 0.473 4.309 ( -8.509 -2.032 0.000) 8.749 4.446 ( -2.700 -1.191 0.000) 2.951 4.470 ( -6.774 0.778 0.000) 6.818 4.654 ( 0.380 4.323 0.000) 4.340 4.747 ( -2.173 1.556 0.000) 2.673 4.799 ( -6.885 0.207 0.000) 6.888 4.869 ( 0.067 0.823 0.000) 0.826 4.902 ( 1.173 -4.570 0.000) 4.718 5.041 ( -3.369 -1.091 0.000) 3.542 5.238 ( 5.148 -0.744 0.000) 5.201 5.423 ( 11.137 3.712 0.000) 11.739 5.804 ( 7.367 -11.119 0.000) 13.338 6.292 ( 0.801 -0.099 0.000) 0.807 6.332 ( 0.574 -0.461 0.000) 0.736 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -10.842 8.424 0.000) 13.730 1.178 ( -7.584 16.702 0.000) 18.343 1.523 ( -4.199 -12.670 0.000) 13.347 1.563 ( -6.104 1.299 0.000) 6.241 1.745 ( -6.799 -1.933 0.000) 7.069 1.976 ( -5.670 -4.311 0.000) 7.123 2.129 ( -7.357 -3.136 0.000) 7.997 2.196 ( -20.336 5.522 0.000) 21.073 2.532 ( -18.044 4.757 0.000) 18.661 2.577 ( 0.285 3.967 0.000) 3.978 2.728 ( -3.678 -2.825 0.000) 4.638 2.886 ( -1.252 -5.318 0.000) 5.464 3.130 ( 8.155 -7.688 0.000) 11.208 3.296 ( 3.064 0.590 0.000) 3.120 3.638 ( 8.916 1.555 0.000) 9.050 4.116 ( -10.255 -2.336 0.000) 10.517 4.276 ( -0.080 2.710 0.000) 2.711 4.303 ( -8.413 -0.986 0.000) 8.470 4.337 ( -8.152 0.634 0.000) 8.177 4.599 ( -5.281 0.416 0.000) 5.298 4.678 ( -4.189 0.887 0.000) 4.282 4.738 ( 2.160 2.829 0.000) 3.559 4.866 ( -2.450 -2.082 0.000) 3.215 4.964 ( -4.205 -3.077 0.000) 5.211 4.967 ( 2.462 -3.758 0.000) 4.493 5.360 ( 5.532 -3.407 0.000) 6.497 5.617 ( 10.962 6.364 0.000) 12.676 6.017 ( 8.622 -7.208 0.000) 11.238 6.309 ( 0.663 -0.193 0.000) 0.691 6.352 ( 1.067 -0.990 0.000) 1.455 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -8.346 11.954 0.000) 14.579 0.970 ( -1.740 21.283 0.000) 21.354 1.488 ( -0.815 1.537 0.000) 1.740 1.594 ( 1.902 -13.333 0.000) 13.468 1.640 ( -5.436 -3.234 0.000) 6.325 1.692 ( -17.385 19.872 0.000) 26.403 1.911 ( -3.755 -4.934 0.000) 6.200 1.991 ( -14.497 -10.685 0.000) 18.010 2.227 ( -8.757 2.464 0.000) 9.097 2.536 ( -0.790 6.426 0.000) 6.474 2.728 ( 0.068 -7.340 0.000) 7.340 2.926 ( 0.423 -9.018 0.000) 9.028 3.330 ( 5.214 -5.475 0.000) 7.560 3.371 ( 6.481 0.690 0.000) 6.518 3.757 ( 4.943 4.101 0.000) 6.423 3.942 ( -8.795 -2.449 0.000) 9.129 4.124 ( -7.040 0.511 0.000) 7.058 4.166 ( -7.335 1.902 0.000) 7.578 4.301 ( 1.766 0.327 0.000) 1.796 4.507 ( -3.979 -2.086 0.000) 4.493 4.562 ( -8.493 -0.872 0.000) 8.538 4.768 ( -6.527 -2.690 0.000) 7.060 4.773 ( 2.673 4.864 0.000) 5.550 4.962 ( 0.301 -4.290 0.000) 4.301 5.029 ( 1.595 -2.977 0.000) 3.378 5.471 ( 3.246 -4.227 0.000) 5.330 5.743 ( 6.248 8.685 0.000) 10.699 6.207 ( 6.972 -3.931 0.000) 8.003 6.318 ( 0.249 -0.063 0.000) 0.257 6.383 ( 1.101 -1.793 0.000) 2.104 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -0.000 15.601 0.000) 15.601 0.846 ( -0.000 20.197 0.000) 20.197 1.292 ( -0.000 34.599 0.000) 34.599 1.477 ( -0.000 3.505 0.000) 3.505 1.605 ( 0.000 -6.018 0.000) 6.018 1.767 ( 0.000 -6.029 0.000) 6.029 1.863 ( 0.000 -24.860 0.000) 24.860 1.902 ( 0.000 -5.168 0.000) 5.168 2.142 ( -0.000 1.790 0.000) 1.790 2.484 ( -0.000 7.592 0.000) 7.592 2.793 ( 0.000 -10.455 0.000) 10.455 2.993 ( 0.000 -10.949 0.000) 10.949 3.383 ( -0.000 1.098 0.000) 1.098 3.467 ( -0.000 0.892 0.000) 0.892 3.776 ( -0.000 5.765 0.000) 5.765 3.850 ( 0.000 -2.451 0.000) 2.451 4.053 ( 0.000 -0.900 0.000) 0.900 4.076 ( -0.000 2.030 0.000) 2.030 4.370 ( 0.000 -3.096 0.000) 3.096 4.390 ( -0.000 2.733 0.000) 2.733 4.482 ( 0.000 -2.638 0.000) 2.638 4.717 ( 0.000 -2.302 0.000) 2.302 4.768 ( -0.000 5.581 0.000) 5.581 4.994 ( 0.000 -4.749 0.000) 4.749 5.060 ( 0.000 -2.526 0.000) 2.526 5.527 ( 0.000 -3.698 0.000) 3.698 5.748 ( -0.000 9.624 0.000) 9.624 6.304 ( 0.000 -2.975 0.000) 2.975 6.321 ( 0.000 -0.022 0.000) 0.022 6.407 ( 0.000 -2.104 0.000) 2.104 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -1.343 -0.000 0.000) 1.343 1.812 ( -7.131 -0.000 0.000) 7.131 1.874 ( -7.456 -0.000 0.000) 7.456 2.097 ( -4.237 -0.000 0.000) 4.237 2.122 ( -5.851 -0.000 0.000) 5.851 2.187 ( -9.905 -0.000 0.000) 9.905 2.319 ( 7.545 0.000 0.000) 7.545 2.389 ( -5.955 -0.000 0.000) 5.955 2.717 ( 1.914 0.000 0.000) 1.914 2.834 ( 4.320 0.000 0.000) 4.320 2.856 ( 12.127 0.000 0.000) 12.127 2.958 ( 1.035 0.000 0.000) 1.035 3.091 ( -3.824 -0.000 0.000) 3.824 3.113 ( 4.022 0.000 0.000) 4.022 3.826 ( -16.223 -0.000 0.000) 16.223 4.355 ( -3.852 -0.000 0.000) 3.852 4.418 ( 0.172 0.000 0.000) 0.172 4.494 ( 0.872 0.000 0.000) 0.872 4.509 ( 0.521 0.000 0.000) 0.521 4.761 ( 0.142 0.000 0.000) 0.142 4.782 ( -1.800 -0.000 0.000) 1.800 4.843 ( -1.357 -0.000 0.000) 1.357 5.020 ( -3.269 -0.000 0.000) 3.269 5.027 ( -0.108 -0.000 0.000) 0.108 5.072 ( -2.637 -0.000 0.000) 2.637 5.168 ( 5.265 0.000 0.000) 5.265 5.221 ( -1.226 -0.000 0.000) 1.226 5.423 ( -1.071 -0.000 0.000) 1.071 6.278 ( -0.065 -0.000 0.000) 0.065 6.311 ( 0.438 0.000 0.000) 0.438 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -2.915 0.868 0.000) 3.041 1.666 ( -8.563 -1.425 0.000) 8.681 1.739 ( -6.011 2.251 0.000) 6.419 1.963 ( -12.358 0.412 0.000) 12.365 2.003 ( -6.816 -0.580 0.000) 6.840 2.016 ( -4.535 -4.970 0.000) 6.728 2.230 ( -9.408 0.062 0.000) 9.408 2.459 ( 6.347 -0.252 0.000) 6.352 2.699 ( -3.305 0.567 0.000) 3.353 2.877 ( 3.302 8.119 0.000) 8.765 3.004 ( -1.621 4.592 0.000) 4.870 3.012 ( -0.234 -6.338 0.000) 6.342 3.139 ( 12.348 -4.963 0.000) 13.308 3.171 ( 2.268 1.876 0.000) 2.944 3.444 ( -22.294 -1.044 0.000) 22.318 4.275 ( -3.213 -0.063 0.000) 3.213 4.432 ( 0.884 -0.607 0.000) 1.072 4.447 ( -5.928 0.188 0.000) 5.931 4.534 ( 0.048 -0.681 0.000) 0.682 4.745 ( -0.567 4.374 0.000) 4.411 4.760 ( -0.407 -0.655 0.000) 0.771 4.821 ( -1.808 -4.314 0.000) 4.677 4.933 ( -5.825 0.067 0.000) 5.825 4.978 ( -3.629 4.266 0.000) 5.601 5.047 ( 0.777 -1.573 0.000) 1.754 5.196 ( -0.132 0.616 0.000) 0.630 5.304 ( 9.066 4.306 0.000) 10.036 5.481 ( 4.202 -8.257 0.000) 9.265 6.281 ( 0.407 0.054 0.000) 0.410 6.319 ( 0.357 -0.132 0.000) 0.380 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -6.981 3.539 0.000) 7.826 1.503 ( -9.051 -2.843 0.000) 9.487 1.587 ( -5.925 10.363 0.000) 11.937 1.733 ( -10.320 -0.036 0.000) 10.320 1.864 ( -7.823 -0.903 0.000) 7.875 2.009 ( -2.348 -12.974 0.000) 13.184 2.058 ( -8.117 -1.035 0.000) 8.183 2.562 ( 4.308 0.333 0.000) 4.321 2.584 ( -8.636 2.058 0.000) 8.878 2.861 ( -4.231 4.001 0.000) 5.823 2.916 ( -5.005 0.372 0.000) 5.019 2.926 ( -12.427 1.204 0.000) 12.486 3.024 ( -11.065 -0.549 0.000) 11.078 3.236 ( 1.920 -1.523 0.000) 2.451 3.418 ( 13.226 -1.459 0.000) 13.307 4.251 ( -0.068 -0.449 0.000) 0.455 4.288 ( -9.584 -1.442 0.000) 9.692 4.436 ( -1.714 -0.423 0.000) 1.766 4.478 ( -6.053 0.565 0.000) 6.079 4.708 ( -0.574 4.623 0.000) 4.659 4.751 ( -1.323 -0.407 0.000) 1.384 4.796 ( -6.419 -1.054 0.000) 6.505 4.851 ( 1.290 -3.682 0.000) 3.901 4.894 ( -2.397 2.511 0.000) 3.471 5.029 ( -4.169 -0.801 0.000) 4.245 5.229 ( 3.483 -0.636 0.000) 3.540 5.480 ( 12.542 5.842 0.000) 13.835 5.677 ( 9.520 -10.044 0.000) 13.839 6.292 ( 0.734 0.030 0.000) 0.735 6.327 ( 0.442 -0.352 0.000) 0.565 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -10.400 5.616 0.000) 11.820 1.371 ( -5.377 1.694 0.000) 5.637 1.410 ( -5.118 7.443 0.000) 9.033 1.577 ( -5.706 1.216 0.000) 5.834 1.727 ( -6.627 -1.197 0.000) 6.734 1.931 ( -6.359 -3.125 0.000) 7.085 2.017 ( -6.306 -11.996 0.000) 13.553 2.277 ( -18.909 4.836 0.000) 19.517 2.600 ( -15.198 5.161 0.000) 16.050 2.617 ( 1.903 2.601 0.000) 3.223 2.712 ( -6.627 1.194 0.000) 6.734 2.835 ( -3.522 -3.341 0.000) 4.854 3.033 ( 4.114 -8.343 0.000) 9.302 3.300 ( 3.877 0.132 0.000) 3.879 3.648 ( 9.901 0.220 0.000) 9.903 4.088 ( -10.709 -2.124 0.000) 10.918 4.272 ( -2.198 -1.503 0.000) 2.663 4.326 ( -5.291 2.884 0.000) 6.026 4.348 ( -6.875 1.088 0.000) 6.960 4.601 ( -7.544 -0.024 0.000) 7.545 4.690 ( -4.700 1.060 0.000) 4.818 4.773 ( 3.663 2.998 0.000) 4.734 4.853 ( -2.942 -0.059 0.000) 2.942 4.922 ( 2.967 -3.663 0.000) 4.714 4.926 ( -5.310 -3.072 0.000) 6.134 5.320 ( 4.351 -3.005 0.000) 5.288 5.694 ( 12.320 6.528 0.000) 13.943 5.933 ( 10.959 -6.891 0.000) 12.946 6.307 ( 0.711 -0.079 0.000) 0.716 6.341 ( 0.698 -0.759 0.000) 1.031 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -7.428 7.690 0.000) 10.691 1.208 ( -3.642 17.901 0.000) 18.268 1.402 ( 0.619 -15.497 0.000) 15.509 1.501 ( -1.072 0.997 0.000) 1.464 1.618 ( -5.445 -0.570 0.000) 5.475 1.829 ( -15.018 -4.337 0.000) 15.632 1.853 ( -3.860 -4.706 0.000) 6.086 1.982 ( -7.931 12.847 0.000) 15.098 2.272 ( -11.509 6.264 0.000) 13.104 2.605 ( -0.199 5.135 0.000) 5.139 2.652 ( -1.782 -4.937 0.000) 5.249 2.832 ( -0.361 -6.698 0.000) 6.707 3.208 ( 5.568 -13.676 0.000) 14.766 3.382 ( 4.747 0.576 0.000) 4.782 3.794 ( 5.799 2.188 0.000) 6.198 3.910 ( -8.645 -2.604 0.000) 9.028 4.123 ( -8.036 -0.578 0.000) 8.056 4.192 ( -6.875 2.399 0.000) 7.281 4.329 ( 2.974 3.758 0.000) 4.792 4.481 ( -4.900 -2.104 0.000) 5.332 4.565 ( -7.550 1.173 0.000) 7.640 4.740 ( -6.439 -2.019 0.000) 6.748 4.828 ( 3.284 4.244 0.000) 5.366 4.916 ( 0.212 -3.279 0.000) 3.286 4.992 ( 1.940 -3.041 0.000) 3.607 5.416 ( 2.817 -4.730 0.000) 5.505 5.845 ( 7.213 8.279 0.000) 10.980 6.156 ( 7.773 -4.666 0.000) 9.066 6.318 ( 0.330 -0.007 0.000) 0.330 6.363 ( 0.749 -1.512 0.000) 1.687 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -0.000 10.937 0.000) 10.937 1.064 ( -0.000 15.879 0.000) 15.879 1.518 ( -0.000 3.215 0.000) 3.215 1.539 ( 0.000 -4.458 0.000) 4.458 1.563 ( 0.000 -21.472 0.000) 21.472 1.702 ( -0.000 30.544 0.000) 30.544 1.703 ( 0.000 -4.625 0.000) 4.625 1.844 ( 0.000 -4.784 0.000) 4.784 2.156 ( -0.000 0.473 0.000) 0.473 2.567 ( -0.000 6.195 0.000) 6.195 2.680 ( 0.000 -8.192 0.000) 8.192 2.877 ( 0.000 -8.402 0.000) 8.402 3.340 ( 0.000 -9.405 0.000) 9.405 3.453 ( 0.000 -1.695 0.000) 1.695 3.822 ( 0.000 -2.062 0.000) 2.062 3.834 ( -0.000 4.077 0.000) 4.077 4.041 ( 0.000 -1.011 0.000) 1.011 4.102 ( -0.000 2.354 0.000) 2.354 4.373 ( -0.000 3.362 0.000) 3.362 4.422 ( -0.000 2.623 0.000) 2.623 4.448 ( 0.000 -2.924 0.000) 2.924 4.689 ( 0.000 -2.397 0.000) 2.397 4.833 ( -0.000 5.134 0.000) 5.134 4.942 ( 0.000 -3.934 0.000) 3.934 5.028 ( 0.000 -2.768 0.000) 2.768 5.475 ( 0.000 -4.977 0.000) 4.977 5.862 ( -0.000 9.361 0.000) 9.361 6.262 ( 0.000 -3.930 0.000) 3.930 6.321 ( -0.000 0.035 0.000) 0.035 6.382 ( 0.000 -2.006 0.000) 2.006 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -6.482 -0.000 0.000) 6.482 1.481 ( -9.936 -0.000 0.000) 9.936 1.683 ( -1.428 -0.000 0.000) 1.428 1.732 ( -10.321 -0.000 0.000) 10.321 1.858 ( -7.900 -0.000 0.000) 7.900 1.902 ( -4.638 -0.000 0.000) 4.638 2.052 ( -8.446 -0.000 0.000) 8.446 2.564 ( 4.611 0.000 0.000) 4.611 2.596 ( -8.265 -0.000 0.000) 8.265 2.895 ( -3.891 -0.000 0.000) 3.891 2.919 ( -6.019 -0.000 0.000) 6.019 2.923 ( -15.002 -0.000 0.000) 15.002 3.023 ( -11.301 -0.000 0.000) 11.301 3.227 ( 3.155 0.000 0.000) 3.155 3.409 ( 13.995 0.000 0.000) 13.995 4.248 ( 0.474 0.000 0.000) 0.474 4.278 ( -10.398 -0.000 0.000) 10.398 4.434 ( -1.322 -0.000 0.000) 1.322 4.482 ( -5.724 -0.000 0.000) 5.724 4.747 ( -0.891 -0.000 0.000) 0.891 4.755 ( -4.584 -0.000 0.000) 4.584 4.770 ( -0.198 -0.000 0.000) 0.198 4.828 ( -1.078 -0.000 0.000) 1.078 4.911 ( -3.347 -0.000 0.000) 3.347 5.024 ( -4.724 -0.000 0.000) 4.724 5.225 ( 3.035 0.000 0.000) 3.035 5.552 ( 13.492 0.000 0.000) 13.492 5.579 ( 9.878 0.000 0.000) 9.878 6.292 ( 0.705 0.000 0.000) 0.705 6.325 ( 0.400 0.000 0.000) 0.400 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -10.830 1.860 0.000) 10.988 1.305 ( -8.371 -3.484 0.000) 9.067 1.592 ( -4.436 1.019 0.000) 4.552 1.607 ( -2.696 15.058 0.000) 15.297 1.714 ( -6.708 -0.881 0.000) 6.766 1.863 ( -5.068 -12.611 0.000) 13.591 1.905 ( -7.107 -1.092 0.000) 7.191 2.310 ( -18.557 1.190 0.000) 18.595 2.627 ( -10.423 0.284 0.000) 10.427 2.638 ( 3.165 0.945 0.000) 3.303 2.766 ( -7.391 5.503 0.000) 9.214 2.807 ( -5.097 -1.168 0.000) 5.229 2.940 ( -2.092 -6.064 0.000) 6.415 3.301 ( 4.237 -0.015 0.000) 4.237 3.648 ( 10.458 -0.082 0.000) 10.458 4.070 ( -10.914 -0.834 0.000) 10.946 4.259 ( -2.941 -0.639 0.000) 3.010 4.351 ( -3.709 1.097 0.000) 3.868 4.358 ( -6.091 0.535 0.000) 6.114 4.600 ( -8.710 -0.077 0.000) 8.710 4.700 ( -4.322 0.437 0.000) 4.344 4.806 ( 4.099 2.025 0.000) 4.572 4.864 ( -3.378 1.674 0.000) 3.770 4.884 ( 3.458 -2.277 0.000) 4.140 4.892 ( -6.094 -2.618 0.000) 6.633 5.294 ( 3.467 -1.235 0.000) 3.680 5.772 ( 12.831 6.560 0.000) 14.411 5.852 ( 12.453 -6.658 0.000) 14.121 6.307 ( 0.707 -0.014 0.000) 0.707 6.335 ( 0.526 -0.289 0.000) 0.600 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -7.626 2.886 0.000) 8.153 1.233 ( -2.571 -9.763 0.000) 10.096 1.404 ( -8.886 12.124 0.000) 15.032 1.523 ( -1.486 2.658 0.000) 3.045 1.615 ( -4.340 -0.420 0.000) 4.360 1.754 ( -10.518 -6.178 0.000) 12.198 1.802 ( -4.496 -3.609 0.000) 5.766 2.093 ( -1.251 4.263 0.000) 4.443 2.389 ( -11.763 10.913 0.000) 16.046 2.628 ( -2.979 2.330 0.000) 3.782 2.659 ( 0.387 4.013 0.000) 4.032 2.765 ( -0.984 -4.671 0.000) 4.773 3.022 ( 2.440 -16.689 0.000) 16.867 3.385 ( 4.192 0.007 0.000) 4.192 3.812 ( 6.615 0.876 0.000) 6.672 3.885 ( -8.296 -1.535 0.000) 8.437 4.115 ( -8.064 -0.646 0.000) 8.090 4.219 ( -6.638 1.809 0.000) 6.880 4.372 ( 3.732 2.836 0.000) 4.688 4.459 ( -5.656 -1.455 0.000) 5.841 4.584 ( -6.616 1.604 0.000) 6.808 4.721 ( -6.754 -1.077 0.000) 6.839 4.872 ( 3.557 3.142 0.000) 4.746 4.886 ( 0.322 -1.757 0.000) 1.786 4.958 ( 2.296 -2.614 0.000) 3.479 5.366 ( 2.349 -3.336 0.000) 4.080 5.939 ( 7.869 7.462 0.000) 10.844 6.095 ( 8.141 -5.539 0.000) 9.847 6.318 ( 0.399 0.018 0.000) 0.399 6.349 ( 0.493 -0.868 0.000) 0.999 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -0.000 4.941 0.000) 4.941 1.219 ( -0.000 9.977 0.000) 9.977 1.315 ( 0.000 -17.867 0.000) 17.867 1.511 ( 0.000 -0.002 0.000) 0.002 1.551 ( -0.000 2.233 0.000) 2.233 1.660 ( 0.000 -2.455 0.000) 2.455 1.785 ( 0.000 -4.954 0.000) 4.954 2.062 ( -0.000 27.573 0.000) 27.573 2.156 ( 0.000 -0.349 0.000) 0.349 2.607 ( 0.000 -3.274 0.000) 3.274 2.632 ( -0.000 4.807 0.000) 4.807 2.792 ( 0.000 -5.878 0.000) 5.878 3.167 ( 0.000 -18.361 0.000) 18.361 3.439 ( 0.000 -0.873 0.000) 0.873 3.802 ( 0.000 -1.354 0.000) 1.354 3.874 ( -0.000 2.505 0.000) 2.505 4.030 ( 0.000 -0.801 0.000) 0.801 4.130 ( -0.000 2.112 0.000) 2.112 4.415 ( 0.000 -2.514 0.000) 2.514 4.431 ( -0.000 5.439 0.000) 5.439 4.450 ( -0.000 2.016 0.000) 2.016 4.662 ( 0.000 -1.942 0.000) 1.942 4.887 ( -0.000 3.960 0.000) 3.960 4.903 ( 0.000 -2.514 0.000) 2.514 4.996 ( 0.000 -2.579 0.000) 2.579 5.415 ( 0.000 -4.680 0.000) 4.680 5.969 ( -0.000 8.463 0.000) 8.463 6.209 ( 0.000 -4.963 0.000) 4.963 6.321 ( -0.000 0.075 0.000) 0.075 6.361 ( 0.000 -1.456 0.000) 1.456 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -7.911 -0.000 0.000) 7.911 1.171 ( -3.752 -0.000 0.000) 3.752 1.488 ( -14.399 -0.000 0.000) 14.399 1.546 ( -1.403 -0.000 0.000) 1.403 1.608 ( -3.654 -0.000 0.000) 3.654 1.708 ( -5.620 -0.000 0.000) 5.620 1.778 ( -5.133 -0.000 0.000) 5.133 2.113 ( -0.707 -0.000 0.000) 0.707 2.456 ( -8.504 -0.000 0.000) 8.504 2.692 ( -2.939 -0.000 0.000) 2.939 2.694 ( 1.991 0.000 0.000) 1.991 2.726 ( -2.580 -0.000 0.000) 2.580 2.874 ( -0.688 -0.000 0.000) 0.688 3.385 ( 4.001 0.000 0.000) 4.001 3.817 ( 6.953 0.000 0.000) 6.953 3.876 ( -8.123 -0.000 0.000) 8.123 4.111 ( -7.998 -0.000 0.000) 7.998 4.231 ( -6.551 -0.000 0.000) 6.551 4.390 ( 3.969 0.000 0.000) 3.969 4.450 ( -5.970 -0.000 0.000) 5.970 4.595 ( -6.160 -0.000 0.000) 6.160 4.715 ( -6.961 -0.000 0.000) 6.961 4.875 ( 0.402 0.000 0.000) 0.402 4.896 ( 3.677 0.000 0.000) 3.677 4.937 ( 2.396 0.000 0.000) 2.396 5.345 ( 2.130 0.000 0.000) 2.130 6.018 ( 8.328 0.000 0.000) 8.328 6.028 ( 8.019 0.000 0.000) 8.019 6.318 ( 0.432 0.000 0.000) 0.432 6.343 ( 0.394 0.000 0.000) 0.394 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.000 0.943 0.000) 0.943 1.161 ( 0.000 -6.972 0.000) 6.972 1.299 ( -0.000 3.258 0.000) 3.258 1.528 ( -0.000 1.712 0.000) 1.712 1.570 ( -0.000 0.797 0.000) 0.797 1.643 ( 0.000 -0.551 0.000) 0.551 1.734 ( 0.000 -2.907 0.000) 2.907 2.151 ( 0.000 -0.292 0.000) 0.292 2.311 ( -0.000 11.114 0.000) 11.114 2.631 ( -0.000 7.848 0.000) 7.848 2.683 ( -0.000 3.883 0.000) 3.883 2.733 ( 0.000 -4.169 0.000) 4.169 2.937 ( 0.000 -17.385 0.000) 17.385 3.431 ( 0.000 -0.345 0.000) 0.345 3.791 ( 0.000 -0.470 0.000) 0.470 3.894 ( -0.000 0.857 0.000) 0.857 4.023 ( 0.000 -0.305 0.000) 0.305 4.149 ( -0.000 0.915 0.000) 0.915 4.392 ( 0.000 -1.060 0.000) 1.060 4.468 ( -0.000 0.800 0.000) 0.800 4.483 ( -0.000 2.516 0.000) 2.516 4.645 ( 0.000 -0.789 0.000) 0.789 4.882 ( 0.000 -0.853 0.000) 0.853 4.926 ( -0.000 2.328 0.000) 2.328 4.968 ( 0.000 -1.891 0.000) 1.891 5.372 ( 0.000 -2.013 0.000) 2.013 6.063 ( -0.000 7.293 0.000) 7.293 6.143 ( 0.000 -6.088 0.000) 6.088 6.322 ( -0.000 0.051 0.000) 0.051 6.349 ( 0.000 -0.545 0.000) 0.545 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 0.000 0.000 18.268) 18.268 0.425 ( 0.000 0.000 20.325) 20.325 0.819 ( 0.000 0.000 37.273) 37.273 1.331 ( 0.000 0.000 -6.620) 6.620 1.546 ( 0.000 0.000 -15.350) 15.350 1.970 ( 0.000 0.000 0.074) 0.074 2.015 ( 0.000 0.000 -1.180) 1.180 2.109 ( 0.000 0.000 -4.825) 4.825 2.257 ( 0.000 0.000 4.410) 4.410 2.745 ( 0.000 0.000 18.286) 18.286 2.947 ( 0.000 0.000 2.201) 2.201 2.990 ( 0.000 0.000 -11.011) 11.011 3.287 ( 0.000 0.000 -2.267) 2.267 3.539 ( 0.000 0.000 2.640) 2.640 3.736 ( 0.000 0.000 0.933) 0.933 3.920 ( 0.000 0.000 0.876) 0.876 4.047 ( 0.000 0.000 -1.889) 1.889 4.067 ( 0.000 0.000 2.663) 2.663 4.289 ( 0.000 0.000 -3.168) 3.168 4.298 ( 0.000 0.000 -15.388) 15.388 4.574 ( 0.000 0.000 3.321) 3.321 4.751 ( 0.000 0.000 -1.345) 1.345 4.905 ( 0.000 0.000 0.959) 0.959 5.078 ( 0.000 0.000 -3.064) 3.064 5.139 ( 0.000 0.000 2.196) 2.196 5.244 ( 0.000 0.000 -0.511) 0.511 5.519 ( 0.000 0.000 0.417) 0.417 5.571 ( 0.000 0.000 -1.243) 1.243 6.539 ( 0.000 0.000 7.441) 7.441 6.940 ( 0.000 0.000 -2.707) 2.707 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 16.838 -0.523 10.188) 19.687 0.627 ( 14.824 -5.967 12.487) 20.280 1.145 ( 26.159 -7.107 25.605) 37.288 1.368 ( 3.628 -1.188 -5.154) 6.413 1.573 ( 3.177 1.360 -14.846) 15.243 2.004 ( 3.998 4.013 0.730) 5.712 2.055 ( 2.977 -2.729 -2.011) 4.512 2.152 ( 4.737 5.921 -1.166) 7.672 2.259 ( 0.810 -6.131 1.918) 6.475 2.702 ( 1.879 11.086 14.356) 18.236 2.920 ( -3.936 0.129 1.327) 4.155 3.045 ( 3.631 -7.684 -8.128) 11.760 3.276 ( -1.672 -1.227 -2.456) 3.214 3.434 ( -7.409 11.290 6.422) 14.953 3.563 ( -6.427 -9.285 4.561) 12.179 3.979 ( 4.925 0.365 -0.520) 4.966 4.110 ( 4.999 0.587 -1.887) 5.376 4.171 ( 9.687 -0.093 2.971) 10.133 4.272 ( -1.451 1.432 -13.801) 13.951 4.487 ( 5.556 0.268 -5.925) 8.127 4.634 ( 3.211 -0.460 0.935) 3.376 4.734 ( -1.436 1.027 -0.697) 1.898 4.923 ( 4.040 3.403 1.560) 5.508 5.090 ( -1.504 1.409 -0.183) 2.069 5.124 ( -1.392 0.435 1.936) 2.424 5.465 ( 0.799 -2.185 -6.239) 6.659 5.531 ( -3.657 0.230 -1.342) 3.902 5.596 ( 14.150 -6.063 -19.068) 24.507 6.518 ( -1.886 0.420 7.469) 7.715 6.779 ( -9.730 3.346 7.459) 12.708 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 20.118 0.092 3.535) 20.427 0.971 ( 16.408 -4.990 10.274) 19.992 1.472 ( 7.651 -0.594 -2.921) 8.211 1.614 ( 6.473 0.193 -8.892) 11.000 1.777 ( 24.436 -4.255 6.317) 25.595 2.084 ( 8.805 3.935 7.325) 12.111 2.147 ( 4.385 -3.322 -2.462) 6.027 2.191 ( 3.336 5.282 1.803) 6.502 2.363 ( 4.507 -6.050 -1.114) 7.626 2.716 ( 4.785 6.917 9.190) 12.458 2.850 ( -2.928 -1.618 4.163) 5.340 3.154 ( 1.853 3.404 -3.713) 5.367 3.236 ( -2.530 0.121 -2.338) 3.447 3.248 ( -4.262 1.553 3.188) 5.544 3.494 ( -5.681 -4.546 0.208) 7.279 4.031 ( -0.821 -0.315 -9.730) 9.769 4.223 ( 6.887 1.080 -1.558) 7.143 4.282 ( 4.959 0.102 -5.649) 7.518 4.398 ( 11.956 1.301 2.981) 12.390 4.548 ( 1.088 -0.788 -0.751) 1.539 4.689 ( 2.596 -0.836 0.939) 2.885 4.697 ( -1.222 -0.024 0.237) 1.245 4.989 ( 2.271 3.015 1.457) 4.046 5.040 ( -0.929 0.220 0.800) 1.246 5.082 ( -2.329 0.969 1.356) 2.864 5.414 ( -5.009 -2.062 -1.680) 5.671 5.422 ( -6.749 0.467 -1.161) 6.865 5.827 ( 6.546 -0.020 -22.388) 23.326 6.470 ( -2.570 0.553 7.453) 7.903 6.609 ( -5.994 3.148 9.443) 11.619 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 14.966 -1.308 7.902) 16.975 1.328 ( 18.046 -2.198 3.593) 18.531 1.655 ( 10.509 -1.148 -1.244) 10.644 1.713 ( 6.219 3.168 -9.575) 11.848 2.033 ( 5.369 2.736 2.920) 6.696 2.224 ( 3.472 2.498 -0.324) 4.289 2.253 ( 5.212 -0.317 -0.152) 5.224 2.395 ( 9.254 -0.066 -1.466) 9.370 2.526 ( 13.832 -5.664 8.081) 16.992 2.780 ( 3.135 -1.782 4.168) 5.511 2.824 ( -0.377 -0.343 8.156) 8.172 3.006 ( -8.708 1.645 5.511) 10.436 3.158 ( -2.884 4.836 -1.449) 5.815 3.328 ( 5.809 0.457 -2.792) 6.461 3.411 ( -3.651 -1.359 -3.529) 5.256 4.010 ( -0.335 -2.426 -14.946) 15.145 4.352 ( 6.223 0.367 -1.100) 6.330 4.407 ( 6.301 -0.041 -2.932) 6.950 4.545 ( 0.710 -0.838 2.100) 2.370 4.576 ( 3.640 0.073 0.600) 3.690 4.684 ( 1.580 0.367 2.435) 2.926 4.782 ( 5.191 -1.846 1.139) 5.626 4.933 ( -3.348 2.110 0.536) 3.994 5.029 ( -1.856 1.943 -0.308) 2.705 5.093 ( 3.253 0.281 2.684) 4.226 5.266 ( -7.904 1.156 -0.103) 7.988 5.330 ( -4.550 -0.986 -2.099) 5.107 5.883 ( 0.830 3.308 -17.724) 18.049 6.420 ( -2.107 0.412 7.168) 7.482 6.497 ( -3.840 2.962 8.430) 9.725 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 10.160 -0.497 10.862) 14.881 1.657 ( 14.299 -1.624 1.552) 14.475 1.817 ( 6.527 3.248 -7.623) 10.548 1.882 ( 11.444 -1.621 0.162) 11.560 2.105 ( 4.319 1.712 2.380) 5.220 2.280 ( 3.252 2.646 -0.917) 4.292 2.345 ( 3.736 0.223 -0.603) 3.791 2.439 ( -1.259 -0.312 -4.194) 4.390 2.649 ( -1.957 0.354 3.808) 4.296 2.682 ( -8.652 4.159 5.616) 11.122 2.849 ( -6.538 -4.207 6.600) 10.198 2.994 ( 3.399 -2.278 2.033) 4.569 3.190 ( 10.895 1.026 2.596) 11.247 3.332 ( -2.365 1.778 -4.967) 5.782 3.473 ( 6.875 -3.154 0.234) 7.568 4.074 ( 5.910 -0.895 -13.901) 15.131 4.432 ( 1.727 0.174 -1.193) 2.106 4.470 ( 0.279 0.661 -1.741) 1.883 4.586 ( 2.776 -2.634 1.538) 4.124 4.618 ( 2.015 -1.069 -0.879) 2.444 4.744 ( 4.471 1.509 3.950) 6.154 4.858 ( -2.782 0.116 -0.978) 2.951 4.886 ( 2.892 -1.358 2.126) 3.838 4.980 ( -2.835 1.507 -2.883) 4.315 5.113 ( -1.892 0.611 4.643) 5.051 5.159 ( 0.397 2.463 0.296) 2.512 5.266 ( -2.297 -0.337 -1.759) 2.913 5.832 ( -3.080 5.564 -13.605) 15.018 6.385 ( -1.352 0.342 6.674) 6.818 6.422 ( -2.396 2.151 6.861) 7.579 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 4.915 0.410 13.309) 14.193 1.887 ( 8.143 -0.981 0.166) 8.204 1.909 ( 4.606 2.967 -5.051) 7.452 2.100 ( 9.117 -1.683 0.187) 9.273 2.188 ( 4.406 0.430 0.490) 4.454 2.280 ( -1.161 4.287 -0.986) 4.549 2.360 ( -6.340 1.236 -0.623) 6.490 2.375 ( -1.210 0.438 -0.297) 1.320 2.482 ( -3.613 3.216 3.259) 5.832 2.657 ( -0.575 -3.497 0.879) 3.652 2.792 ( -0.302 -3.473 5.722) 6.700 3.016 ( -0.570 -1.841 0.462) 1.982 3.256 ( -3.669 1.180 -5.886) 7.036 3.314 ( 0.022 -0.069 -0.820) 0.823 3.677 ( 10.834 -0.683 4.454) 11.734 4.238 ( 9.726 -0.288 -10.831) 14.560 4.431 ( -0.570 1.146 -1.329) 1.845 4.454 ( -0.971 0.476 -1.592) 1.924 4.623 ( -0.758 0.185 1.323) 1.536 4.671 ( 2.361 -0.196 1.034) 2.585 4.800 ( -2.746 0.966 -1.859) 3.454 4.845 ( 5.536 -2.208 2.570) 6.491 4.907 ( -0.435 -2.609 -1.635) 3.109 4.950 ( 0.841 -1.803 0.482) 2.047 5.101 ( 0.846 1.675 2.526) 3.147 5.162 ( 0.203 2.011 1.443) 2.483 5.243 ( -0.460 -0.077 -1.032) 1.132 5.706 ( -5.875 6.466 -9.788) 13.120 6.362 ( -0.748 0.662 6.101) 6.182 6.378 ( -1.252 0.781 5.199) 5.404 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 1.449 0.284 14.478) 14.553 1.932 ( 0.410 2.441 -3.445) 4.242 1.995 ( 2.187 -0.570 -1.247) 2.581 2.171 ( -0.988 -0.453 1.281) 1.680 2.196 ( -3.086 1.686 0.338) 3.533 2.281 ( 4.271 -1.337 1.136) 4.617 2.327 ( 2.630 1.373 -0.339) 2.986 2.339 ( -1.225 0.893 -0.005) 1.516 2.463 ( -0.005 0.287 0.728) 0.782 2.630 ( -2.526 -2.400 2.756) 4.443 2.885 ( 5.907 -1.401 1.223) 6.193 2.994 ( -2.949 -0.785 0.710) 3.133 3.182 ( -2.072 1.757 -6.317) 6.876 3.279 ( -2.375 -1.182 -2.296) 3.509 3.832 ( 4.499 0.633 5.976) 7.507 4.385 ( 2.099 -2.754 -3.816) 5.153 4.425 ( 1.977 3.020 -6.081) 7.071 4.437 ( 0.225 0.803 -3.558) 3.655 4.580 ( -1.696 0.744 1.363) 2.299 4.691 ( -0.495 0.367 -0.113) 0.627 4.748 ( -1.015 0.200 0.956) 1.408 4.945 ( 1.928 -2.695 -1.841) 3.791 4.971 ( 0.620 -0.994 1.010) 1.546 4.997 ( 5.508 -2.982 -0.147) 6.265 5.103 ( 0.116 0.744 2.446) 2.560 5.133 ( -1.979 1.907 1.399) 3.084 5.244 ( 0.317 -0.246 -0.736) 0.838 5.559 ( -4.445 3.987 -6.960) 9.171 6.349 ( -0.198 0.459 4.904) 4.929 6.360 ( -0.430 0.012 4.967) 4.986 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 17.662 0.000 10.096) 20.344 0.947 ( 20.112 0.000 2.886) 20.318 1.471 ( 7.470 0.000 -2.829) 7.988 1.605 ( 11.016 0.000 -3.744) 11.635 1.756 ( 23.661 0.000 2.910) 23.839 2.115 ( 6.805 0.000 6.333) 9.296 2.119 ( 4.529 0.000 -1.715) 4.843 2.240 ( 1.130 0.000 2.768) 2.990 2.309 ( 6.889 0.000 -2.434) 7.306 2.767 ( 2.348 0.000 12.579) 12.797 2.833 ( -4.223 -0.000 1.133) 4.373 3.166 ( 9.278 0.000 -7.703) 12.059 3.235 ( -2.751 -0.000 -1.758) 3.265 3.273 ( -11.114 -0.000 6.580) 12.916 3.459 ( -2.954 -0.000 -0.044) 2.954 4.029 ( -1.376 -0.000 -9.124) 9.228 4.229 ( 6.748 0.000 -1.386) 6.889 4.283 ( 4.513 0.000 -6.429) 7.855 4.407 ( 12.264 0.000 2.913) 12.606 4.542 ( 0.617 0.000 -0.477) 0.780 4.683 ( 3.146 0.000 0.782) 3.242 4.698 ( -2.162 -0.000 -0.281) 2.180 5.012 ( 4.561 0.000 1.685) 4.863 5.036 ( -3.946 -0.000 0.981) 4.066 5.088 ( -2.259 -0.000 1.121) 2.522 5.402 ( -4.389 -0.000 -1.396) 4.606 5.424 ( -6.782 -0.000 -1.211) 6.889 5.827 ( 7.907 0.000 -23.184) 24.495 6.473 ( -2.664 -0.000 7.570) 8.025 6.629 ( -6.445 -0.000 9.298) 11.313 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 15.631 -1.283 11.181) 19.261 1.323 ( 18.315 0.140 -0.359) 18.319 1.648 ( 10.567 -0.121 -0.540) 10.581 1.736 ( 6.081 0.821 -9.881) 11.631 2.060 ( 5.073 1.551 1.321) 5.466 2.219 ( 4.985 -1.334 -1.592) 5.400 2.271 ( 3.037 1.557 1.190) 3.615 2.406 ( 7.802 1.804 -1.190) 8.095 2.464 ( 20.300 -4.109 9.827) 22.925 2.765 ( -2.574 -0.654 4.040) 4.835 2.822 ( 3.115 -0.073 8.631) 9.176 3.021 ( -12.442 0.788 5.980) 13.827 3.204 ( -0.832 2.320 -1.408) 2.838 3.327 ( 4.784 -0.330 -3.641) 6.022 3.398 ( -2.699 -0.629 -3.734) 4.650 3.989 ( -0.364 -0.987 -14.240) 14.279 4.354 ( 5.714 0.012 -1.357) 5.873 4.408 ( 6.830 0.123 -2.868) 7.409 4.533 ( -0.993 -0.644 1.890) 2.230 4.578 ( 2.975 0.056 -0.441) 3.008 4.698 ( 4.287 1.382 3.121) 5.480 4.759 ( 4.115 -1.533 0.951) 4.493 4.951 ( -4.265 0.771 1.120) 4.476 5.044 ( -1.833 0.647 -0.166) 1.951 5.094 ( 3.443 0.014 2.714) 4.384 5.281 ( -7.076 1.069 -0.949) 7.219 5.318 ( -4.309 -0.904 -1.574) 4.675 5.909 ( 1.493 1.109 -18.614) 18.707 6.424 ( -2.243 0.141 7.509) 7.838 6.523 ( -4.319 1.172 8.477) 9.585 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 10.928 -0.481 13.702) 17.533 1.643 ( 14.253 -0.805 -1.256) 14.331 1.846 ( 6.138 1.596 -8.016) 10.221 1.868 ( 11.219 -0.772 0.671) 11.265 2.119 ( 3.211 0.626 1.711) 3.691 2.307 ( 3.187 1.965 -0.588) 3.790 2.339 ( 4.465 -0.835 -0.643) 4.588 2.438 ( -0.947 0.098 -4.383) 4.486 2.666 ( -3.500 2.363 4.528) 6.192 2.718 ( -4.299 0.990 5.598) 7.127 2.810 ( -7.038 -1.855 7.262) 10.282 2.973 ( 5.570 -1.268 2.412) 6.201 3.213 ( 3.085 2.795 -0.296) 4.173 3.337 ( 3.789 -1.234 -2.288) 4.595 3.432 ( 3.456 -2.816 -0.759) 4.522 4.067 ( 7.287 -0.238 -13.188) 15.069 4.433 ( 1.982 -0.008 -1.352) 2.399 4.483 ( 0.648 1.584 -1.230) 2.107 4.551 ( 2.218 -3.068 1.173) 3.963 4.607 ( 2.482 -0.697 -2.703) 3.735 4.774 ( 3.948 3.069 3.788) 6.273 4.843 ( 0.550 -2.256 1.105) 2.572 4.877 ( -1.189 -0.341 1.991) 2.344 4.997 ( -3.653 1.186 -2.736) 4.716 5.120 ( -0.589 0.496 4.353) 4.421 5.188 ( -0.195 2.138 -0.250) 2.162 5.258 ( -2.292 -0.942 -1.556) 2.926 5.883 ( -2.874 2.817 -14.750) 15.290 6.388 ( -1.392 0.134 7.008) 7.147 6.444 ( -3.046 1.412 7.344) 8.075 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 5.131 0.293 15.614) 16.438 1.872 ( 8.385 -1.334 -1.193) 8.574 1.938 ( 4.226 1.788 -5.681) 7.302 2.082 ( 9.492 -1.318 0.547) 9.598 2.189 ( 3.184 -0.126 -0.132) 3.190 2.315 ( -0.488 1.705 0.339) 1.805 2.355 ( -5.472 -0.156 -1.939) 5.807 2.423 ( 1.681 4.769 -1.619) 5.310 2.531 ( -5.843 4.850 4.261) 8.707 2.619 ( -2.938 -2.747 1.565) 4.316 2.759 ( 0.644 -1.765 5.581) 5.889 2.999 ( -0.377 -1.013 0.391) 1.150 3.193 ( -5.246 -8.392 -4.118) 10.720 3.352 ( -1.960 3.857 -2.661) 5.080 3.683 ( 15.204 1.222 4.268) 15.838 4.230 ( 8.235 -0.835 -9.461) 12.570 4.443 ( -0.058 0.226 -1.307) 1.328 4.468 ( -0.064 2.504 -1.822) 3.097 4.611 ( 0.938 -1.918 0.873) 2.307 4.674 ( 3.396 0.329 -1.359) 3.672 4.794 ( -2.306 -1.726 -1.772) 3.382 4.838 ( 3.465 0.888 3.931) 5.315 4.889 ( -3.132 -0.332 -1.108) 3.339 4.926 ( 0.829 -2.160 1.145) 2.581 5.121 ( 0.732 1.377 2.377) 2.843 5.185 ( 0.124 1.872 1.030) 2.140 5.238 ( -0.532 -0.691 -0.945) 1.286 5.770 ( -6.412 4.103 -11.015) 13.389 6.367 ( -0.694 0.226 6.241) 6.284 6.389 ( -1.916 0.899 5.879) 6.248 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 1.011 0.087 15.320) 15.354 1.956 ( -0.818 0.922 -3.573) 3.780 1.990 ( 2.508 0.309 -2.193) 3.346 2.168 ( -0.839 0.125 1.086) 1.378 2.213 ( -4.057 1.044 -0.279) 4.198 2.264 ( 3.766 -1.515 1.311) 4.266 2.345 ( 2.160 1.407 -0.280) 2.593 2.383 ( -0.517 6.628 0.240) 6.652 2.468 ( -0.655 0.617 1.194) 1.495 2.603 ( 0.037 -1.894 2.664) 3.269 2.859 ( 6.259 -3.224 1.060) 7.120 2.985 ( -1.977 -0.640 0.651) 2.178 3.139 ( -4.733 -7.954 -4.942) 10.492 3.280 ( -2.540 1.582 -2.019) 3.610 3.874 ( 6.352 5.645 4.366) 9.554 4.350 ( 2.368 -3.004 -4.881) 6.201 4.434 ( -0.885 -0.191 -1.671) 1.900 4.471 ( 1.449 3.399 -6.541) 7.513 4.582 ( -2.729 -0.256 1.541) 3.145 4.703 ( -0.613 1.342 -0.945) 1.752 4.759 ( -0.261 1.687 0.901) 1.930 4.903 ( 3.764 -3.894 -0.920) 5.493 4.944 ( 3.120 -3.166 1.320) 4.637 4.968 ( 3.263 -2.012 0.036) 3.834 5.115 ( -0.467 1.122 2.305) 2.606 5.159 ( -1.763 2.229 1.142) 3.063 5.238 ( 0.059 -0.713 -0.692) 0.996 5.605 ( -7.324 3.428 -7.709) 11.172 6.354 ( -0.655 0.414 5.090) 5.148 6.360 ( -0.519 0.031 5.131) 5.157 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -1.795 -0.485 13.547) 13.674 1.907 ( -2.630 -1.525 -3.122) 4.357 1.998 ( -2.066 -0.056 -0.920) 2.262 2.173 ( -0.421 -0.999 -0.545) 1.214 2.181 ( 2.187 0.200 2.296) 3.177 2.287 ( -2.174 -1.023 1.886) 3.055 2.314 ( -4.590 -0.073 -0.861) 4.670 2.366 ( 2.518 5.138 -0.864) 5.787 2.461 ( -0.430 -0.020 0.869) 0.970 2.659 ( 5.032 2.466 2.722) 6.230 2.894 ( -4.513 0.102 1.250) 4.684 3.002 ( 4.103 0.565 0.665) 4.195 3.125 ( -0.672 -6.697 -5.658) 8.792 3.274 ( 1.713 -2.201 -0.544) 2.842 3.866 ( -3.348 5.798 3.991) 7.794 4.383 ( -1.774 -3.499 -5.991) 7.161 4.413 ( -2.585 1.185 -3.873) 4.805 4.434 ( -0.905 0.451 -3.445) 3.590 4.565 ( 0.519 -1.707 1.388) 2.260 4.694 ( 0.842 0.704 -1.115) 1.565 4.757 ( 0.607 1.772 1.995) 2.736 4.961 ( -0.754 -0.254 -0.635) 1.018 4.972 ( 1.193 -0.526 -0.532) 1.408 5.028 ( -3.185 1.678 -0.148) 3.603 5.100 ( -0.619 0.218 2.804) 2.880 5.118 ( 0.872 -0.215 0.978) 1.327 5.243 ( -0.297 -0.391 -0.725) 0.875 5.515 ( 0.021 -3.293 -6.277) 7.088 6.344 ( -0.248 -0.393 4.722) 4.745 6.360 ( 0.320 0.007 4.822) 4.833 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -4.688 -0.587 10.861) 11.844 1.863 ( -4.610 -3.834 -4.620) 7.569 1.900 ( -8.060 0.519 2.090) 8.342 2.120 ( -8.246 1.581 -0.169) 8.397 2.176 ( -6.061 -1.599 0.550) 6.292 2.220 ( 1.417 -5.001 -0.954) 5.285 2.333 ( 2.492 -1.733 2.163) 3.727 2.407 ( 3.287 3.110 -2.249) 5.053 2.458 ( 3.627 0.150 1.969) 4.130 2.704 ( -0.302 4.401 0.632) 4.457 2.838 ( 2.593 4.010 6.335) 7.933 3.041 ( 1.174 2.294 0.155) 2.582 3.190 ( 2.196 -7.261 -4.673) 8.910 3.318 ( -0.531 -1.726 0.627) 1.912 3.705 ( -9.278 3.853 2.487) 10.349 4.237 ( -9.750 -0.435 -11.773) 15.292 4.425 ( 1.398 0.012 -0.925) 1.676 4.447 ( 0.940 -0.722 -1.829) 2.179 4.606 ( 1.367 -2.334 1.681) 3.185 4.684 ( -1.401 1.927 1.797) 2.984 4.782 ( 1.931 -1.543 -1.061) 2.690 4.886 ( -6.487 4.475 1.402) 8.005 4.935 ( -1.119 1.260 -0.803) 1.866 4.971 ( -0.386 1.734 -1.202) 2.145 5.087 ( -0.722 -0.339 2.780) 2.892 5.138 ( -0.383 -2.004 1.363) 2.454 5.240 ( 0.210 -0.527 -1.001) 1.151 5.618 ( 4.887 -8.119 -8.165) 12.508 6.351 ( 0.606 -1.012 5.602) 5.724 6.371 ( 0.749 -0.364 4.734) 4.807 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -9.790 0.129 6.957) 12.011 1.683 ( -12.934 2.778 5.435) 14.302 1.769 ( -7.246 -4.581 -6.795) 10.939 1.906 ( -11.297 2.301 -0.294) 11.533 2.079 ( -5.252 -2.567 2.487) 6.353 2.244 ( -3.436 -3.397 -1.546) 5.073 2.325 ( -2.596 -3.303 0.156) 4.204 2.442 ( 0.667 -0.085 -3.723) 3.783 2.645 ( 10.971 -0.945 4.212) 11.790 2.661 ( 0.908 2.451 3.654) 4.492 2.904 ( 5.001 4.822 6.629) 9.602 3.026 ( -1.894 3.017 1.325) 3.801 3.180 ( -11.018 -1.148 3.172) 11.523 3.302 ( 3.119 -2.951 -4.547) 6.255 3.497 ( -9.940 0.711 0.271) 9.969 4.088 ( -4.344 1.432 -14.580) 15.281 4.429 ( -1.807 -0.222 -0.947) 2.052 4.464 ( -0.019 -0.377 -2.116) 2.150 4.603 ( -2.812 -0.475 1.870) 3.411 4.634 ( -1.960 2.154 1.517) 3.284 4.747 ( -4.053 2.007 2.443) 5.140 4.845 ( 2.205 -1.463 -0.865) 2.784 4.904 ( -2.932 1.558 1.230) 3.541 4.962 ( 0.421 -1.615 -2.727) 3.197 5.110 ( 3.337 0.304 4.358) 5.497 5.131 ( -0.595 -2.234 0.430) 2.352 5.265 ( 2.324 -0.445 -1.786) 2.964 5.751 ( 3.335 -7.980 -11.766) 14.603 6.378 ( 1.425 -0.921 6.559) 6.775 6.397 ( 1.493 -1.705 5.731) 6.163 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -15.714 0.397 2.770) 15.961 1.383 ( -14.626 6.340 9.319) 18.465 1.659 ( -6.693 -5.179 -9.165) 12.475 1.679 ( -10.374 2.318 -0.905) 10.669 1.996 ( -5.549 -3.555 4.076) 7.749 2.178 ( -4.589 -4.294 0.777) 6.332 2.260 ( -5.383 0.069 -1.677) 5.638 2.401 ( -6.644 0.352 -3.384) 7.464 2.593 ( -8.412 5.479 7.735) 12.673 2.801 ( -10.399 1.435 4.838) 11.559 2.837 ( 4.231 2.250 6.458) 8.042 2.987 ( 3.343 -1.279 5.148) 6.270 3.099 ( 2.609 -4.691 -1.360) 5.537 3.312 ( -5.657 -2.196 -2.079) 6.415 3.428 ( 5.591 1.268 -2.890) 6.420 4.042 ( 0.132 2.642 -15.807) 16.027 4.344 ( -6.966 -1.021 -0.660) 7.072 4.410 ( -5.784 0.526 -2.901) 6.492 4.537 ( -5.212 -1.914 2.664) 6.158 4.590 ( -0.910 2.415 1.287) 2.884 4.694 ( -0.355 1.852 1.794) 2.603 4.801 ( -5.702 1.449 1.186) 6.002 4.903 ( 2.346 -2.734 0.091) 3.604 4.999 ( 1.724 -2.907 -0.251) 3.390 5.085 ( -3.086 -1.007 2.284) 3.969 5.256 ( 8.345 -0.668 0.470) 8.385 5.341 ( 5.536 0.953 -2.458) 6.131 5.831 ( 0.540 -5.363 -15.936) 16.823 6.414 ( 1.892 -0.638 6.648) 6.941 6.457 ( 3.114 -3.509 8.049) 9.316 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -17.584 3.011 4.066) 18.297 1.055 ( -14.356 8.875 10.634) 19.949 1.490 ( -7.392 2.312 -2.836) 8.248 1.582 ( -4.471 -4.697 -11.804) 13.468 1.848 ( -15.965 5.583 5.683) 17.843 2.032 ( -13.887 -3.342 7.452) 16.110 2.132 ( -4.619 -4.425 2.650) 6.924 2.194 ( -5.635 4.003 -2.246) 7.268 2.432 ( -3.570 5.287 -0.966) 6.453 2.625 ( -10.748 -7.476 7.079) 14.883 2.862 ( 1.074 0.248 5.983) 6.083 3.079 ( 2.564 -7.767 1.380) 8.295 3.224 ( 5.654 -1.427 -2.605) 6.387 3.259 ( 0.258 1.878 -0.410) 1.939 3.546 ( 7.511 3.863 -0.773) 8.481 4.039 ( -0.393 1.037 -11.126) 11.181 4.205 ( -7.142 -1.770 -1.550) 7.520 4.280 ( -6.123 -0.279 -4.187) 7.423 4.381 ( -11.051 -1.293 3.073) 11.543 4.558 ( -2.521 0.819 -1.414) 3.004 4.694 ( -0.067 0.184 1.265) 1.280 4.708 ( -1.963 1.640 1.246) 2.846 4.948 ( -1.573 -3.678 1.204) 4.178 5.024 ( -0.939 -2.314 0.098) 2.499 5.067 ( 2.060 -1.490 2.126) 3.314 5.412 ( 6.570 -1.276 -1.032) 6.772 5.450 ( 6.526 3.752 -2.418) 7.906 5.826 ( -3.094 -0.268 -20.262) 20.499 6.460 ( 2.308 -1.008 7.143) 7.574 6.560 ( 5.080 -4.645 9.543) 11.766 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -11.778 8.507 9.631) 17.431 0.736 ( -11.640 11.696 12.041) 20.427 1.286 ( -20.471 14.153 15.837) 29.499 1.401 ( -6.511 5.195 -0.749) 8.363 1.542 ( -2.672 -3.629 -14.546) 15.228 1.939 ( -3.718 -6.833 2.331) 8.121 2.066 ( -4.444 -4.718 0.241) 6.486 2.099 ( -3.209 1.355 -1.903) 3.969 2.340 ( -2.237 6.760 -0.782) 7.163 2.520 ( -6.417 -17.082 10.693) 21.150 2.910 ( 3.191 -1.784 2.606) 4.490 3.129 ( 0.163 1.976 -4.007) 4.471 3.302 ( 3.280 2.793 -3.206) 5.370 3.319 ( 4.981 -4.947 4.935) 8.581 3.654 ( 6.255 5.713 3.182) 9.050 3.971 ( -5.423 -0.943 -0.969) 5.589 4.099 ( -5.100 -1.051 -2.146) 5.632 4.174 ( -9.035 0.436 2.970) 9.520 4.245 ( 1.151 -2.893 -11.341) 11.760 4.478 ( -6.023 -1.352 -5.728) 8.421 4.639 ( -4.369 -0.059 0.915) 4.464 4.720 ( 1.208 -0.560 0.809) 1.558 4.872 ( -6.573 -4.003 2.946) 8.240 5.059 ( 0.995 -3.670 -0.419) 3.826 5.113 ( 1.406 -1.308 2.184) 2.908 5.504 ( 2.672 3.066 -4.433) 6.016 5.531 ( 3.016 1.183 -1.791) 3.702 5.702 ( -6.320 9.916 -20.902) 23.983 6.509 ( 1.759 -1.182 7.429) 7.726 6.713 ( 7.142 -6.830 9.122) 13.449 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -0.000 12.373 13.758) 18.503 0.515 ( -0.000 13.460 16.247) 21.099 0.916 ( -0.000 15.355 32.906) 36.312 1.343 ( -0.000 1.939 -6.432) 6.718 1.533 ( 0.000 -2.199 -15.078) 15.237 1.929 ( 0.000 -4.853 0.946) 4.944 2.046 ( -0.000 3.309 -1.938) 3.835 2.060 ( 0.000 -6.950 -1.105) 7.038 2.288 ( -0.000 4.465 1.362) 4.669 2.575 ( 0.000 -19.625 13.296) 23.705 2.965 ( 0.000 -1.045 -0.183) 1.061 3.089 ( -0.000 10.662 -5.235) 11.878 3.312 ( -0.000 3.827 -3.128) 4.943 3.459 ( 0.000 -11.292 3.753) 11.900 3.724 ( -0.000 0.634 4.433) 4.478 3.912 ( 0.000 -1.278 0.989) 1.616 4.041 ( 0.000 -0.681 -1.657) 1.791 4.074 ( -0.000 1.083 2.362) 2.599 4.296 ( -0.000 1.094 -3.257) 3.436 4.320 ( -0.000 1.000 -15.536) 15.568 4.570 ( 0.000 -0.778 3.391) 3.479 4.745 ( 0.000 -0.914 -1.312) 1.598 4.815 ( 0.000 -6.652 6.805) 9.516 5.083 ( 0.000 -1.996 -1.692) 2.617 5.133 ( 0.000 -0.879 2.285) 2.448 5.419 ( -0.000 18.704 -14.709) 23.794 5.546 ( -0.000 2.529 -1.181) 2.791 5.590 ( -0.000 6.039 -2.922) 6.709 6.533 ( 0.000 -0.928 7.464) 7.521 6.867 ( 0.000 -10.066 3.150) 10.547 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 11.353 0.000 14.653) 18.537 1.638 ( 14.039 0.000 -2.198) 14.210 1.856 ( 5.845 0.000 -8.115) 10.001 1.864 ( 11.235 0.000 0.899) 11.271 2.122 ( 2.668 0.000 1.360) 2.995 2.325 ( 1.791 0.000 0.610) 1.892 2.328 ( 6.181 0.000 -1.755) 6.426 2.439 ( -0.777 -0.000 -4.417) 4.484 2.692 ( -4.440 -0.000 5.633) 7.172 2.710 ( -3.273 -0.000 4.359) 5.451 2.802 ( -5.420 -0.000 8.082) 9.731 2.965 ( 6.709 0.000 2.577) 7.187 3.240 ( -8.388 -0.000 -4.526) 9.531 3.318 ( 15.300 0.000 3.122) 15.615 3.416 ( 0.482 0.000 -2.577) 2.622 4.066 ( 7.782 0.000 -12.895) 15.061 4.432 ( 2.063 0.000 -1.290) 2.433 4.501 ( 1.740 0.000 -2.467) 3.019 4.523 ( 1.030 0.000 2.374) 2.588 4.602 ( 2.736 0.000 -3.375) 4.345 4.809 ( 1.136 0.000 0.567) 1.269 4.813 ( 4.567 0.000 5.089) 6.838 4.875 ( -3.012 -0.000 1.875) 3.548 5.005 ( -3.749 -0.000 -2.656) 4.594 5.124 ( -0.172 -0.000 4.173) 4.176 5.203 ( -0.390 -0.000 -0.610) 0.724 5.250 ( -2.339 -0.000 -1.352) 2.701 5.899 ( -2.794 -0.000 -15.130) 15.386 6.388 ( -1.413 -0.000 7.163) 7.301 6.453 ( -3.294 -0.000 7.466) 8.160 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 5.242 0.132 17.243) 18.023 1.859 ( 8.368 -0.611 -2.634) 8.794 1.952 ( 4.063 0.544 -5.584) 6.927 2.070 ( 9.636 -0.514 0.756) 9.679 2.187 ( 2.968 -0.065 -0.519) 3.013 2.327 ( -0.615 0.418 0.830) 1.114 2.356 ( -4.994 0.157 -1.866) 5.334 2.467 ( 4.831 2.165 -2.670) 5.929 2.580 ( -3.551 1.856 2.895) 4.943 2.595 ( -5.653 -0.557 2.816) 6.341 2.752 ( -1.905 0.182 6.447) 6.725 2.993 ( -0.744 0.078 0.057) 0.751 3.101 ( -6.496 -5.265 -3.417) 9.033 3.385 ( -2.949 1.451 -2.694) 4.249 3.696 ( 18.628 0.698 3.463) 18.960 4.222 ( 6.861 -0.452 -8.494) 10.929 4.442 ( -0.380 -0.164 -0.335) 0.532 4.504 ( 0.851 2.722 -3.746) 4.708 4.583 ( 2.763 -2.342 1.165) 3.805 4.677 ( 4.074 0.190 -3.140) 5.147 4.773 ( -2.621 -1.175 -0.722) 2.961 4.859 ( 1.792 2.296 3.936) 4.896 4.885 ( -1.334 -1.225 2.612) 3.178 4.904 ( -2.258 -0.951 -1.547) 2.898 5.132 ( 0.663 0.498 2.361) 2.502 5.206 ( 0.095 1.465 0.639) 1.601 5.227 ( -0.541 -1.065 -0.856) 1.470 5.803 ( -6.634 1.398 -11.669) 13.496 6.368 ( -0.677 0.057 6.358) 6.394 6.397 ( -2.311 0.372 6.227) 6.652 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.648 0.021 15.955) 15.968 1.954 ( 0.412 -0.593 -3.407) 3.483 2.001 ( 1.446 0.956 -3.224) 3.660 2.175 ( -0.640 0.967 1.089) 1.591 2.216 ( -1.319 -0.652 -0.651) 1.609 2.250 ( 0.113 -0.474 1.277) 1.367 2.357 ( 1.812 0.667 -0.655) 2.039 2.476 ( -1.771 0.604 2.079) 2.797 2.488 ( -0.309 10.042 -0.605) 10.065 2.588 ( 2.600 -0.257 2.273) 3.463 2.795 ( 3.823 -7.929 1.376) 8.909 2.979 ( -1.104 -0.251 0.576) 1.270 3.044 ( -2.997 -6.306 -2.215) 7.325 3.299 ( -4.328 1.252 -1.928) 4.901 3.943 ( 8.022 4.975 1.904) 9.629 4.317 ( 2.221 -2.333 -5.221) 6.134 4.430 ( -1.017 -0.328 -0.761) 1.312 4.507 ( 0.046 2.445 -6.726) 7.157 4.577 ( -3.327 -0.500 1.864) 3.846 4.717 ( -0.955 0.854 -2.041) 2.409 4.786 ( 2.313 2.516 0.533) 3.459 4.859 ( 4.029 -3.195 0.029) 5.143 4.908 ( 2.655 -2.588 1.763) 4.105 4.946 ( 2.584 -1.532 0.723) 3.090 5.127 ( -0.826 0.697 2.227) 2.475 5.185 ( -1.324 2.028 0.741) 2.533 5.227 ( -0.241 -1.138 -0.601) 1.309 5.638 ( -8.823 1.937 -8.271) 12.248 6.358 ( -0.981 0.262 5.225) 5.323 6.361 ( -0.599 0.013 5.268) 5.302 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -2.009 -0.455 12.737) 12.902 1.897 ( -4.451 -0.270 -3.184) 5.479 1.994 ( -2.537 -0.607 -0.653) 2.689 2.159 ( -1.900 -0.950 -0.676) 2.229 2.191 ( 1.833 1.215 2.125) 3.058 2.264 ( -1.431 -2.335 1.555) 3.149 2.320 ( -5.135 0.642 -0.975) 5.266 2.451 ( 2.375 8.287 -1.434) 8.739 2.462 ( -0.197 0.483 1.483) 1.572 2.686 ( 7.047 1.986 2.248) 7.658 2.877 ( -1.429 -3.710 0.887) 4.074 3.000 ( 4.353 -1.569 0.468) 4.651 3.048 ( -0.331 -4.318 -2.556) 5.029 3.241 ( -1.251 -2.722 1.078) 3.183 3.947 ( -3.572 6.929 0.928) 7.850 4.342 ( -2.191 -3.135 -7.226) 8.176 4.412 ( -0.784 -0.675 -1.648) 1.946 4.452 ( -2.661 1.870 -4.252) 5.354 4.543 ( -0.365 -1.848 1.719) 2.551 4.703 ( 0.716 0.687 -2.256) 2.465 4.790 ( 0.224 3.632 2.692) 4.526 4.937 ( -0.383 -3.207 1.646) 3.625 4.969 ( 3.186 0.087 -1.727) 3.625 5.029 ( 1.547 -1.403 -0.717) 2.208 5.104 ( -0.694 0.439 2.846) 2.962 5.133 ( -1.670 2.294 0.641) 2.908 5.233 ( 0.010 -1.196 -0.697) 1.384 5.484 ( -4.873 -1.782 -5.870) 7.834 6.340 ( -0.589 -0.253 4.584) 4.629 6.360 ( 0.214 0.011 4.724) 4.729 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -4.555 -0.654 8.631) 9.781 1.819 ( -5.379 -3.356 -3.759) 7.371 1.903 ( -6.983 0.117 3.536) 7.828 2.134 ( -6.634 0.681 -0.047) 6.669 2.143 ( -2.567 -3.897 -0.529) 4.696 2.181 ( -6.109 -1.196 0.062) 6.225 2.319 ( 2.745 -0.723 1.642) 3.279 2.411 ( -2.640 -1.349 -0.286) 2.979 2.512 ( 7.641 7.239 -1.237) 10.598 2.759 ( 0.209 4.650 0.715) 4.710 2.885 ( 5.193 3.848 6.870) 9.432 3.069 ( 2.005 2.193 -0.505) 3.014 3.100 ( 2.006 -7.459 -3.196) 8.359 3.270 ( -0.238 -5.795 3.002) 6.530 3.757 ( -11.563 4.194 0.238) 12.303 4.230 ( -8.309 -0.604 -12.195) 14.769 4.423 ( 1.061 -0.649 -1.248) 1.762 4.444 ( 1.276 0.623 -1.313) 1.934 4.574 ( 1.253 -2.849 1.835) 3.613 4.710 ( -0.266 1.906 0.002) 1.924 4.772 ( 0.059 0.355 0.861) 0.934 4.929 ( -1.545 -1.666 0.495) 2.325 4.947 ( -5.637 4.903 0.722) 7.505 4.989 ( -0.595 1.247 -1.907) 2.355 5.097 ( 0.324 1.310 3.148) 3.425 5.118 ( -0.843 -0.672 0.029) 1.078 5.231 ( -0.228 -1.028 -0.952) 1.419 5.517 ( 3.303 -8.568 -6.394) 11.189 6.340 ( 0.297 -0.815 4.975) 5.050 6.368 ( 0.529 -0.220 4.494) 4.531 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -9.117 0.250 3.905) 9.921 1.708 ( -8.690 -3.638 -1.581) 9.553 1.727 ( -9.431 2.736 4.244) 10.697 1.934 ( -11.102 2.160 -0.280) 11.314 2.047 ( -6.035 -2.571 1.761) 6.793 2.193 ( -1.838 -5.660 -2.027) 6.287 2.275 ( -4.222 -4.125 1.890) 6.198 2.431 ( 0.441 -1.711 -3.425) 3.854 2.666 ( 11.076 3.870 1.652) 11.849 2.708 ( -0.564 5.455 4.277) 6.954 2.960 ( 3.023 4.521 6.771) 8.685 3.065 ( -1.323 3.497 0.004) 3.739 3.152 ( -4.824 -3.724 1.579) 6.296 3.267 ( 1.351 -2.836 -2.004) 3.726 3.491 ( -13.353 -1.426 0.427) 13.435 4.104 ( -3.530 1.183 -14.796) 15.257 4.426 ( -2.188 -0.297 -0.954) 2.405 4.461 ( 0.333 -0.076 -1.361) 1.404 4.581 ( -2.889 -2.641 1.979) 4.386 4.669 ( -1.560 3.446 1.920) 4.243 4.768 ( -2.239 0.112 -0.057) 2.243 4.849 ( 0.302 3.204 0.652) 3.283 4.918 ( -1.217 0.094 1.270) 1.762 4.940 ( -3.277 -1.534 -1.718) 4.006 5.102 ( -1.595 -2.167 1.697) 3.181 5.128 ( 4.698 2.162 1.168) 5.301 5.257 ( 2.644 -0.855 -1.638) 3.226 5.645 ( 3.559 -9.613 -9.484) 13.965 6.362 ( 1.335 -1.480 6.091) 6.409 6.384 ( 0.869 -0.664 4.839) 4.961 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -13.491 2.895 1.490) 13.878 1.471 ( -11.999 8.074 10.632) 17.950 1.589 ( -7.612 -6.202 -7.493) 12.351 1.712 ( -9.885 2.895 -0.287) 10.305 1.949 ( -6.257 -4.039 3.817) 8.369 2.127 ( -5.385 -4.191 0.563) 6.846 2.244 ( -4.114 -3.291 -1.218) 5.407 2.398 ( -5.302 -0.795 -4.895) 7.260 2.656 ( -4.319 5.095 7.317) 9.907 2.817 ( -5.192 1.550 3.939) 6.699 2.872 ( -3.129 2.967 5.150) 6.717 2.979 ( -2.044 0.215 5.151) 5.546 3.051 ( -0.816 -3.152 -1.243) 3.485 3.279 ( -3.610 -3.236 -1.868) 5.196 3.438 ( 7.492 0.482 -1.721) 7.703 4.069 ( -0.026 1.791 -16.187) 16.286 4.329 ( -7.737 -1.346 -0.055) 7.853 4.418 ( -5.456 0.700 -2.619) 6.093 4.511 ( -5.501 -2.183 2.848) 6.568 4.625 ( -0.897 3.240 0.964) 3.497 4.720 ( -1.117 2.049 1.101) 2.580 4.817 ( -5.837 1.284 1.326) 6.121 4.874 ( 1.524 -1.665 0.331) 2.282 4.961 ( 1.644 -3.293 0.279) 3.691 5.069 ( -2.988 -1.600 1.666) 3.777 5.247 ( 7.092 -0.906 0.237) 7.154 5.357 ( 7.734 1.729 -2.633) 8.351 5.756 ( 2.604 -6.962 -13.435) 15.355 6.405 ( 1.816 -0.873 6.340) 6.652 6.418 ( 2.248 -2.848 7.011) 7.895 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -12.693 7.944 3.279) 15.329 1.176 ( -12.002 11.058 10.653) 19.489 1.499 ( -6.182 -4.933 -7.831) 11.130 1.537 ( -5.333 1.541 -4.306) 7.026 1.854 ( -6.139 -4.114 4.588) 8.698 2.030 ( -12.873 0.198 3.260) 13.280 2.095 ( -9.305 -0.165 1.917) 9.502 2.228 ( -7.588 0.897 0.090) 7.641 2.487 ( -6.735 4.029 -0.138) 7.849 2.558 ( -13.959 -2.841 4.584) 14.964 2.857 ( -0.835 -0.864 7.680) 7.774 2.989 ( 0.730 -6.950 2.184) 7.322 3.196 ( 8.478 -3.546 -1.564) 9.322 3.278 ( 2.288 1.091 -0.269) 2.549 3.584 ( 7.616 2.481 -2.334) 8.343 4.056 ( -1.261 1.832 -12.398) 12.596 4.181 ( -7.208 -2.232 -1.382) 7.671 4.276 ( -7.617 -0.281 -2.916) 8.161 4.370 ( -9.663 -0.488 2.943) 10.113 4.566 ( -4.557 0.477 -2.050) 5.019 4.698 ( -1.672 0.554 1.965) 2.639 4.731 ( -0.878 2.107 1.355) 2.654 4.904 ( -1.272 -3.412 1.045) 3.789 4.989 ( -1.981 -3.412 -0.450) 3.971 5.046 ( 1.431 -2.060 3.014) 3.922 5.391 ( 6.368 -2.156 -0.580) 6.748 5.501 ( 8.116 4.650 -3.602) 10.023 5.819 ( 1.199 -0.928 -17.350) 17.416 6.446 ( 1.932 -1.267 6.746) 7.131 6.505 ( 4.260 -4.447 9.181) 11.055 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -6.172 14.115 6.594) 16.758 0.896 ( -8.328 14.672 11.066) 20.177 1.392 ( -4.794 3.480 -4.378) 7.366 1.491 ( -3.064 -3.679 -12.537) 13.420 1.550 ( -16.681 17.660 13.026) 27.565 1.843 ( -2.915 -9.054 3.677) 10.197 2.001 ( -6.094 -5.173 2.213) 8.294 2.125 ( -3.216 1.579 -2.684) 4.477 2.318 ( -11.098 -15.298 9.193) 21.016 2.417 ( -1.634 5.581 -2.653) 6.392 2.876 ( 1.470 -3.675 5.316) 6.628 3.064 ( 1.366 -9.161 1.320) 9.356 3.310 ( 3.495 0.757 -1.581) 3.910 3.357 ( 5.796 4.834 -1.308) 7.660 3.699 ( 5.506 2.074 -0.042) 5.884 3.959 ( -6.577 -0.897 -1.074) 6.725 4.089 ( -4.926 -0.334 -2.398) 5.489 4.182 ( -7.894 0.581 2.364) 8.261 4.209 ( 0.667 -2.556 -8.903) 9.287 4.459 ( -6.782 -1.563 -5.059) 8.604 4.627 ( -5.610 -1.603 2.176) 6.227 4.728 ( 0.269 1.302 -0.201) 1.345 4.838 ( -5.031 -1.666 3.789) 6.515 5.007 ( 0.589 -4.733 -0.572) 4.804 5.093 ( 1.467 -1.901 2.778) 3.672 5.503 ( 3.650 -1.758 -0.919) 4.154 5.587 ( 3.756 6.421 -5.461) 9.228 5.808 ( -0.219 7.483 -19.294) 20.695 6.491 ( 1.539 -1.703 7.365) 7.714 6.631 ( 5.054 -6.587 9.791) 12.837 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -0.000 15.768 9.209) 18.261 0.708 ( -0.000 17.755 10.625) 20.691 1.154 ( -0.000 22.998 23.270) 32.717 1.375 ( -0.000 3.257 -5.962) 6.793 1.496 ( 0.000 -3.633 -13.402) 13.886 1.868 ( 0.000 -5.148 2.292) 5.635 1.963 ( 0.000 -9.041 1.392) 9.148 2.081 ( -0.000 2.446 -2.907) 3.799 2.303 ( 0.000 -12.405 8.215) 14.879 2.386 ( 0.000 -1.477 1.809) 2.335 2.929 ( 0.000 -4.654 2.006) 5.068 3.127 ( 0.000 -5.699 -0.975) 5.781 3.361 ( 0.000 -0.799 -1.263) 1.494 3.381 ( -0.000 5.535 -1.229) 5.669 3.748 ( -0.000 2.205 2.992) 3.716 3.891 ( 0.000 -2.059 1.244) 2.405 4.033 ( 0.000 -0.723 -1.954) 2.084 4.090 ( -0.000 1.429 2.503) 2.882 4.297 ( 0.000 -4.154 -12.733) 13.393 4.314 ( -0.000 1.726 -3.503) 3.905 4.557 ( 0.000 -1.368 3.599) 3.850 4.730 ( 0.000 -1.675 -1.216) 2.070 4.786 ( -0.000 0.974 6.136) 6.213 5.042 ( 0.000 -4.425 -0.909) 4.518 5.118 ( 0.000 -1.581 2.637) 3.075 5.546 ( 0.000 -0.664 -1.525) 1.663 5.571 ( -0.000 8.331 -8.468) 11.879 5.736 ( -0.000 13.661 -16.405) 21.349 6.518 ( 0.000 -1.671 7.520) 7.703 6.744 ( 0.000 -9.659 8.368) 12.780 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.506 0.000 16.213) 16.221 1.950 ( 0.879 0.000 -3.608) 3.714 2.007 ( 1.193 0.000 -3.324) 3.532 2.185 ( -1.043 -0.000 1.568) 1.883 2.207 ( 1.314 0.000 -0.895) 1.590 2.249 ( -2.358 -0.000 0.919) 2.531 2.361 ( 1.746 0.000 -0.863) 1.947 2.480 ( -2.293 -0.000 2.415) 3.330 2.555 ( 0.888 0.000 0.738) 1.155 2.624 ( 4.783 0.000 -4.223) 6.381 2.702 ( -0.852 -0.000 6.086) 6.145 2.979 ( -0.441 -0.000 0.626) 0.766 3.006 ( -1.322 -0.000 -1.229) 1.805 3.307 ( -5.006 -0.000 -1.861) 5.341 3.976 ( 8.799 0.000 0.845) 8.839 4.301 ( 2.036 0.000 -5.254) 5.635 4.428 ( -1.030 -0.000 -0.340) 1.085 4.523 ( -0.801 -0.000 -7.319) 7.363 4.573 ( -3.466 -0.000 2.397) 4.214 4.722 ( -0.816 -0.000 -2.340) 2.478 4.807 ( 6.298 0.000 -0.838) 6.353 4.835 ( 1.431 0.000 1.014) 1.754 4.890 ( 1.522 0.000 2.591) 3.005 4.936 ( 2.738 0.000 0.885) 2.878 5.131 ( -0.943 -0.000 2.203) 2.397 5.202 ( -1.203 -0.000 0.934) 1.523 5.215 ( -0.292 -0.000 -0.921) 0.966 5.649 ( -9.280 -0.000 -8.477) 12.569 6.360 ( -1.552 -0.000 5.151) 5.380 6.361 ( -0.180 -0.000 5.445) 5.447 ======================= Grid point 218 (80/147) ======================= q-point: ( 0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -2.124 -0.181 12.271) 12.455 1.897 ( -5.229 0.124 -3.417) 6.248 1.987 ( -3.187 -0.379 -0.379) 3.232 2.151 ( -2.905 -0.321 -0.825) 3.037 2.208 ( 2.635 1.441 2.229) 3.740 2.237 ( -2.100 -1.874 1.179) 3.052 2.325 ( -5.078 0.252 -1.118) 5.205 2.461 ( -1.121 0.010 1.523) 1.891 2.555 ( 2.118 6.931 -1.972) 7.511 2.705 ( 6.327 1.064 -1.175) 6.523 2.804 ( 5.475 -6.443 3.926) 9.322 2.978 ( 0.358 -1.030 1.357) 1.741 3.031 ( 2.987 -0.139 -0.538) 3.038 3.218 ( -3.816 -1.061 1.210) 4.142 4.012 ( -4.415 3.152 -0.782) 5.481 4.313 ( -1.896 -1.505 -7.771) 8.139 4.405 ( -0.776 -0.336 -1.102) 1.389 4.471 ( -2.742 1.077 -5.020) 5.820 4.524 ( -0.864 -1.082 2.804) 3.128 4.710 ( 0.362 0.299 -2.645) 2.686 4.839 ( 0.033 4.362 2.664) 5.112 4.892 ( -0.064 -4.193 2.027) 4.658 4.975 ( 4.724 0.752 -0.723) 4.837 5.007 ( 3.373 -1.725 -1.466) 4.062 5.109 ( -0.585 0.229 2.762) 2.832 5.160 ( -2.362 1.716 0.632) 2.987 5.217 ( 0.238 -1.186 -0.779) 1.439 5.471 ( -7.949 -0.484 -5.729) 9.810 6.338 ( -0.773 -0.086 4.512) 4.578 6.360 ( 0.149 0.004 4.678) 4.680 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -4.512 -0.424 7.103) 8.426 1.787 ( -6.539 -1.896 -3.264) 7.550 1.904 ( -5.232 0.019 4.718) 7.045 2.101 ( -2.999 -2.673 -0.559) 4.056 2.136 ( -5.855 -0.178 0.543) 5.883 2.179 ( -9.243 0.264 -0.492) 9.260 2.315 ( 4.193 -0.043 0.821) 4.273 2.394 ( -5.093 -1.192 -0.170) 5.234 2.601 ( 6.734 6.793 -2.618) 9.917 2.806 ( 2.843 2.792 0.290) 3.995 2.926 ( 7.003 2.379 6.242) 9.678 3.024 ( 2.342 -4.174 0.159) 4.789 3.092 ( 2.864 1.438 -0.912) 3.332 3.194 ( -0.923 -6.369 4.176) 7.672 3.797 ( -14.672 2.355 -0.902) 14.887 4.224 ( -6.717 -0.364 -12.426) 14.130 4.413 ( 0.859 -0.741 -0.886) 1.439 4.458 ( 1.456 1.351 -1.836) 2.705 4.542 ( 0.784 -2.329 2.172) 3.279 4.722 ( 0.685 0.249 -2.304) 2.417 4.796 ( -1.613 3.347 2.848) 4.681 4.895 ( -1.600 -3.652 1.405) 4.227 4.999 ( -3.438 2.694 -0.614) 4.410 5.003 ( -0.891 1.555 -1.140) 2.124 5.096 ( -1.678 -0.221 2.214) 2.787 5.139 ( 2.022 2.762 -0.026) 3.423 5.217 ( -0.873 -1.156 -1.024) 1.774 5.422 ( 1.041 -6.725 -4.818) 8.338 6.332 ( 0.086 -0.426 4.539) 4.559 6.366 ( 0.404 -0.122 4.346) 4.366 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -7.427 0.696 2.245) 7.790 1.657 ( -8.496 -3.681 -3.862) 10.032 1.777 ( -6.770 4.625 9.039) 12.204 1.955 ( -11.344 1.271 0.030) 11.415 2.020 ( -6.716 -1.973 0.755) 7.041 2.108 ( -1.131 -7.850 -0.171) 7.933 2.242 ( -7.284 -1.353 1.293) 7.521 2.408 ( 1.131 -1.797 -3.995) 4.524 2.716 ( 7.111 3.818 1.642) 8.236 2.791 ( 1.448 8.154 3.584) 9.024 3.008 ( -0.237 3.289 5.945) 6.798 3.083 ( -1.011 -4.812 0.390) 4.933 3.116 ( 1.336 2.239 -1.579) 3.048 3.233 ( 2.339 -2.968 1.033) 3.917 3.469 ( -16.747 -2.116 0.623) 16.892 4.115 ( -3.538 0.544 -14.569) 15.003 4.422 ( -1.882 -0.440 -0.792) 2.089 4.465 ( -0.215 0.881 -0.263) 0.944 4.546 ( -2.399 -3.016 1.300) 4.067 4.711 ( -0.997 3.231 0.375) 3.403 4.758 ( -1.237 -0.480 0.292) 1.358 4.888 ( -1.311 -3.842 0.578) 4.100 4.907 ( -2.010 4.791 0.482) 5.218 4.949 ( -3.471 2.480 0.902) 4.361 5.075 ( -1.258 -2.296 0.872) 2.759 5.160 ( 2.595 2.520 -0.670) 3.679 5.251 ( 4.432 0.404 -1.378) 4.659 5.527 ( 3.649 -9.864 -7.085) 12.682 6.347 ( 1.031 -0.981 5.261) 5.450 6.378 ( 0.693 -0.374 4.567) 4.635 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -9.793 5.373 0.482) 11.181 1.517 ( -8.256 -5.255 -4.478) 10.762 1.574 ( -9.983 8.824 9.740) 16.505 1.742 ( -9.187 2.010 1.020) 9.460 1.903 ( -6.923 -3.550 2.449) 8.156 2.081 ( -5.889 -3.465 -0.133) 6.834 2.174 ( -2.865 -8.104 1.616) 8.746 2.388 ( -4.625 -0.653 -6.904) 8.336 2.716 ( -3.186 4.871 7.135) 9.208 2.842 ( -3.659 2.700 1.904) 4.930 2.891 ( -6.145 -0.009 4.185) 7.435 2.995 ( -5.946 2.061 5.184) 8.153 3.024 ( -5.248 -1.494 -1.056) 5.558 3.240 ( -0.271 -3.092 -2.019) 3.703 3.439 ( 8.862 -0.219 -0.248) 8.868 4.083 ( 0.070 0.635 -15.892) 15.905 4.313 ( -8.575 -1.240 0.704) 8.692 4.427 ( -5.066 0.794 -2.108) 5.544 4.487 ( -4.702 -1.744 2.240) 5.493 4.664 ( -1.981 3.108 -0.339) 3.701 4.735 ( -1.057 0.533 0.615) 1.334 4.826 ( -5.217 -0.084 0.896) 5.294 4.874 ( -0.990 1.655 1.495) 2.440 4.924 ( 1.891 -2.620 1.543) 3.580 5.049 ( -3.211 -1.705 0.911) 3.747 5.233 ( 5.365 -1.317 -0.501) 5.547 5.385 ( 9.877 3.017 -3.018) 10.760 5.668 ( 5.186 -7.721 -10.646) 14.137 6.386 ( 2.185 -1.903 6.639) 7.244 6.399 ( 1.136 -0.736 5.323) 5.492 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -8.361 10.615 1.927) 13.649 1.314 ( -9.790 11.643 9.299) 17.829 1.419 ( -5.433 -7.048 -6.324) 10.917 1.575 ( -6.079 3.649 -0.181) 7.093 1.795 ( -6.637 -4.759 4.083) 9.131 1.992 ( -6.099 -4.716 1.861) 7.931 2.118 ( -7.868 0.367 -1.561) 8.030 2.206 ( -12.674 -3.199 0.362) 13.076 2.533 ( -17.976 2.683 1.412) 18.229 2.566 ( -5.785 4.412 1.017) 7.346 2.844 ( -2.316 -1.212 9.130) 9.496 2.921 ( -1.093 -4.095 2.940) 5.158 3.140 ( 8.350 -5.675 0.564) 10.112 3.286 ( 3.702 0.254 -0.452) 3.738 3.606 ( 7.697 1.200 -3.231) 8.433 4.079 ( -1.840 1.814 -12.083) 12.356 4.154 ( -6.531 -2.238 -2.141) 7.229 4.275 ( -8.953 0.076 -2.229) 9.226 4.369 ( -8.124 0.183 2.462) 8.490 4.570 ( -6.338 0.268 -2.435) 6.794 4.706 ( -3.614 0.626 2.125) 4.239 4.757 ( 0.454 2.229 1.005) 2.487 4.870 ( -1.192 -2.294 0.860) 2.724 4.947 ( -2.923 -3.466 -0.648) 4.580 5.019 ( 1.255 -2.439 3.911) 4.776 5.362 ( 6.015 -2.579 0.173) 6.547 5.558 ( 9.464 4.822 -5.103) 11.783 5.803 ( 5.351 -1.784 -14.111) 15.196 6.431 ( 1.551 -1.266 6.403) 6.709 6.458 ( 3.611 -3.322 8.385) 9.715 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -4.307 13.885 4.881) 15.335 1.078 ( -5.786 15.514 8.634) 18.674 1.380 ( -2.575 -5.260 -9.678) 11.311 1.478 ( -2.483 2.023 -5.196) 6.104 1.730 ( -5.543 -8.555 4.051) 10.969 1.760 ( -10.874 13.931 8.201) 19.482 1.952 ( -6.397 -2.336 2.859) 7.386 2.087 ( -6.301 -9.730 5.432) 12.802 2.211 ( -11.848 -0.033 0.719) 11.870 2.475 ( -1.810 3.898 -3.667) 5.650 2.826 ( -0.642 -4.425 7.457) 8.695 2.965 ( 1.148 -6.628 3.879) 7.765 3.297 ( 3.832 -3.564 -3.429) 6.257 3.394 ( 7.372 0.913 2.053) 7.707 3.716 ( 4.616 1.324 -3.999) 6.249 3.947 ( -7.884 -1.262 -0.132) 7.985 4.093 ( -5.721 0.810 -2.762) 6.404 4.169 ( -0.719 -1.808 -6.963) 7.230 4.209 ( -5.018 1.780 -0.393) 5.339 4.444 ( -6.731 -0.925 -4.324) 8.054 4.609 ( -6.151 -1.348 2.803) 6.893 4.735 ( -2.975 -0.395 -1.596) 3.399 4.835 ( -0.817 1.141 3.754) 4.008 4.950 ( 0.289 -4.681 -0.775) 4.753 5.070 ( 1.654 -2.017 3.761) 4.577 5.475 ( 3.581 -2.792 0.510) 4.569 5.667 ( 4.956 6.687 -7.318) 11.083 5.880 ( 3.159 4.520 -16.183) 17.096 6.469 ( 1.295 -1.807 7.294) 7.625 6.560 ( 3.910 -5.229 9.417) 11.459 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -0.000 14.969 7.656) 16.813 0.920 ( -0.000 17.090 6.715) 18.361 1.384 ( -0.000 4.633 -6.011) 7.589 1.417 ( -0.000 3.560 -5.420) 6.484 1.500 ( -0.000 13.338 7.994) 15.550 1.810 ( 0.000 -4.474 3.690) 5.799 1.849 ( 0.000 -9.227 3.627) 9.914 2.102 ( 0.000 -16.101 11.314) 19.679 2.104 ( -0.000 1.362 -3.600) 3.849 2.434 ( -0.000 4.661 -4.113) 6.216 2.861 ( 0.000 -6.396 5.754) 8.604 3.024 ( 0.000 -8.615 3.011) 9.126 3.350 ( 0.000 -1.538 -3.458) 3.785 3.464 ( -0.000 5.447 -1.052) 5.548 3.763 ( -0.000 0.436 -1.092) 1.176 3.865 ( 0.000 -2.223 1.510) 2.687 4.024 ( 0.000 -0.841 -2.274) 2.424 4.109 ( -0.000 1.774 2.625) 3.169 4.247 ( 0.000 -3.158 -11.121) 11.561 4.335 ( -0.000 1.647 -3.814) 4.155 4.539 ( 0.000 -1.537 3.894) 4.187 4.706 ( 0.000 -2.150 -1.069) 2.401 4.817 ( -0.000 3.554 4.012) 5.360 4.984 ( 0.000 -4.992 -0.787) 5.053 5.097 ( 0.000 -1.842 3.373) 3.843 5.526 ( 0.000 -2.401 0.175) 2.408 5.669 ( -0.000 7.955 -8.356) 11.537 5.869 ( -0.000 8.579 -17.077) 19.110 6.495 ( 0.000 -2.025 7.582) 7.847 6.643 ( 0.000 -7.189 9.383) 11.821 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -4.502 -0.000 6.582) 7.974 1.775 ( -7.111 -0.000 -3.152) 7.779 1.904 ( -4.266 -0.000 5.227) 6.747 2.084 ( -3.925 -0.000 -0.535) 3.961 2.135 ( -5.927 -0.000 0.658) 5.963 2.181 ( -9.561 -0.000 -0.632) 9.582 2.315 ( 5.338 0.000 0.427) 5.355 2.386 ( -6.463 -0.000 -0.200) 6.466 2.648 ( 5.318 0.000 -3.300) 6.259 2.822 ( 6.814 0.000 -1.068) 6.898 2.932 ( 3.084 0.000 4.606) 5.543 3.011 ( 7.189 0.000 4.711) 8.595 3.101 ( 3.074 0.000 -1.085) 3.260 3.146 ( -3.118 -0.000 4.126) 5.172 3.811 ( -16.017 -0.000 -1.210) 16.062 4.221 ( -6.057 -0.000 -12.516) 13.904 4.409 ( 0.839 0.000 -0.673) 1.076 4.468 ( 1.672 0.000 -2.670) 3.150 4.526 ( 0.359 0.000 2.854) 2.876 4.723 ( 0.671 0.000 -2.628) 2.712 4.834 ( -2.088 -0.000 3.507) 4.082 4.855 ( -1.466 -0.000 1.199) 1.894 5.010 ( -2.324 -0.000 -0.969) 2.518 5.017 ( -0.236 -0.000 -1.021) 1.048 5.098 ( -3.391 -0.000 1.869) 3.872 5.160 ( 4.564 0.000 0.048) 4.564 5.208 ( -1.642 -0.000 -1.203) 2.035 5.376 ( -0.672 -0.000 -4.089) 4.144 6.330 ( 0.017 0.000 4.384) 4.384 6.365 ( 0.359 0.000 4.296) 4.311 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -5.734 0.440 1.586) 5.966 1.626 ( -8.674 -1.375 -3.403) 9.419 1.829 ( -3.405 3.174 10.040) 11.067 1.965 ( -11.892 0.505 0.240) 11.905 2.000 ( -6.634 -1.262 0.049) 6.753 2.027 ( -4.041 -4.333 1.001) 6.009 2.235 ( -8.397 -0.087 0.681) 8.425 2.392 ( 1.820 -0.796 -4.692) 5.096 2.749 ( 4.766 1.540 2.933) 5.804 2.894 ( 2.520 8.724 2.046) 9.309 2.993 ( 1.455 -7.353 1.107) 7.577 3.048 ( -4.233 1.108 3.342) 5.506 3.149 ( 1.819 2.014 -1.953) 3.344 3.200 ( 6.880 -2.154 3.053) 7.829 3.448 ( -19.308 -1.058 0.790) 19.353 4.118 ( -3.782 0.121 -14.293) 14.786 4.417 ( -1.335 -0.212 -0.465) 1.429 4.482 ( -1.552 1.873 0.961) 2.615 4.512 ( -1.342 -2.653 0.046) 2.973 4.728 ( -0.473 -0.030 -2.473) 2.518 4.782 ( -1.549 3.898 2.557) 4.912 4.837 ( -1.760 -4.426 1.343) 4.949 4.938 ( -4.065 0.862 0.447) 4.179 4.998 ( -2.528 4.430 1.289) 5.261 5.045 ( -0.244 -2.687 0.111) 2.701 5.176 ( -0.493 0.238 -1.890) 1.968 5.277 ( 7.845 3.328 -1.880) 8.727 5.422 ( 3.025 -6.608 -4.941) 8.788 6.339 ( 0.879 -0.325 4.788) 4.879 6.375 ( 0.612 -0.135 4.439) 4.483 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -6.515 4.762 0.037) 8.070 1.466 ( -8.836 -3.007 -3.191) 9.864 1.674 ( -9.870 6.495 6.998) 13.732 1.770 ( -6.159 3.858 4.480) 8.537 1.866 ( -7.565 -2.617 0.568) 8.025 2.023 ( -2.559 -8.294 1.215) 8.765 2.086 ( -7.075 -3.831 2.878) 8.545 2.382 ( -3.826 -0.337 -8.347) 9.188 2.770 ( -2.836 3.902 8.061) 9.394 2.876 ( -9.761 2.232 -0.703) 10.037 2.878 ( -5.421 -1.449 3.247) 6.483 3.013 ( -10.178 0.037 -0.504) 10.191 3.016 ( -2.901 0.570 4.998) 5.807 3.210 ( 2.577 -1.733 -2.358) 3.899 3.436 ( 9.585 -0.316 1.106) 9.654 4.086 ( 0.267 -0.026 -15.314) 15.316 4.301 ( -9.307 -0.753 1.391) 9.440 4.438 ( -4.616 1.056 -1.470) 4.959 4.469 ( -3.907 -1.436 1.212) 4.335 4.691 ( -3.571 0.987 -2.850) 4.674 4.746 ( 0.114 2.011 1.630) 2.591 4.814 ( -3.610 -2.077 0.549) 4.202 4.888 ( -2.038 -0.298 3.264) 3.859 4.916 ( -0.380 1.652 2.062) 2.670 5.031 ( -4.005 -1.280 0.110) 4.206 5.218 ( 4.593 -1.026 -1.164) 4.848 5.430 ( 10.616 4.538 -4.066) 12.241 5.576 ( 7.908 -7.420 -7.960) 13.452 6.369 ( 1.831 -0.949 5.852) 6.205 6.392 ( 1.032 -0.389 5.120) 5.237 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -7.240 8.367 2.400) 11.322 1.339 ( -6.279 -5.421 -3.422) 8.973 1.447 ( -7.711 9.381 5.215) 13.216 1.630 ( -5.333 6.336 2.909) 8.778 1.749 ( -6.590 -2.988 3.230) 7.924 1.938 ( -6.594 -3.828 0.910) 7.679 2.054 ( -4.499 -9.788 3.172) 11.229 2.197 ( -15.077 0.805 -6.121) 16.292 2.546 ( -12.896 0.201 -0.822) 12.924 2.637 ( -8.931 5.651 -0.458) 10.579 2.837 ( -2.160 0.502 10.934) 11.156 2.892 ( -2.975 -0.760 3.992) 5.036 3.065 ( 4.634 -6.537 2.986) 8.551 3.286 ( 4.435 -0.139 -0.851) 4.518 3.614 ( 8.092 0.245 -3.399) 8.780 4.095 ( -4.909 0.612 -6.684) 8.315 4.131 ( -2.982 -1.348 -6.919) 7.653 4.279 ( -9.587 0.734 -2.506) 9.936 4.372 ( -6.862 0.196 1.807) 7.098 4.573 ( -7.426 0.199 -2.608) 7.874 4.712 ( -4.790 0.411 1.927) 5.179 4.782 ( 1.133 1.867 0.283) 2.202 4.850 ( -1.416 -0.970 0.316) 1.745 4.910 ( -4.302 -2.555 -0.404) 5.020 4.990 ( 1.913 -2.277 4.858) 5.696 5.333 ( 5.580 -2.151 1.070) 6.075 5.614 ( 10.191 4.386 -7.066) 13.154 5.777 ( 8.836 -2.482 -10.749) 14.134 6.417 ( 1.573 -1.077 6.440) 6.716 6.427 ( 2.789 -1.816 7.261) 7.987 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -4.863 9.246 5.996) 12.045 1.256 ( -5.036 13.497 3.893) 14.923 1.301 ( -2.224 -7.294 -5.565) 9.440 1.510 ( -3.435 3.010 -2.241) 5.088 1.641 ( -6.075 -4.924 2.994) 8.373 1.832 ( -7.784 -1.135 2.787) 8.346 1.924 ( -7.784 -8.290 2.723) 11.694 2.019 ( -3.013 3.703 3.642) 6.005 2.263 ( -12.443 7.628 0.628) 14.609 2.513 ( -2.265 2.779 -3.561) 5.053 2.781 ( -2.222 -2.469 7.290) 8.011 2.909 ( 1.248 -2.894 7.485) 8.122 3.214 ( 4.045 -10.302 -0.521) 11.080 3.390 ( 6.093 -0.920 1.849) 6.434 3.734 ( 4.816 1.570 -5.707) 7.631 3.930 ( -8.357 -1.535 1.235) 8.586 4.098 ( -8.086 -0.395 -2.174) 8.382 4.166 ( 2.090 1.718 -10.322) 10.671 4.233 ( -4.818 1.891 -0.865) 5.247 4.436 ( -6.403 -0.539 -3.655) 7.392 4.597 ( -6.458 -0.587 2.532) 6.961 4.723 ( -5.192 -1.189 -1.289) 5.481 4.853 ( 1.728 1.360 1.604) 2.722 4.900 ( 0.152 -3.533 -1.024) 3.682 5.047 ( 1.966 -1.632 5.098) 5.702 5.440 ( 3.517 -2.859 2.252) 5.061 5.742 ( 5.662 5.666 -9.530) 12.449 5.919 ( 5.243 2.154 -12.672) 13.882 6.450 ( 1.128 -1.359 7.215) 7.428 6.506 ( 3.156 -3.773 8.745) 10.034 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -0.000 11.396 7.913) 13.874 1.107 ( -0.000 13.820 4.026) 14.394 1.336 ( 0.000 -6.946 -11.031) 13.036 1.456 ( -0.000 2.831 -4.975) 5.724 1.611 ( 0.000 -4.825 2.962) 5.662 1.765 ( 0.000 -2.903 4.993) 5.775 1.868 ( -0.000 15.518 8.953) 17.916 1.942 ( 0.000 -8.706 10.600) 13.717 2.114 ( -0.000 0.375 -3.922) 3.939 2.478 ( -0.000 2.737 -4.956) 5.662 2.787 ( 0.000 -5.360 6.925) 8.757 2.946 ( 0.000 -4.463 6.711) 8.060 3.305 ( 0.000 -6.678 -3.750) 7.659 3.485 ( 0.000 -1.819 2.991) 3.501 3.774 ( -0.000 2.055 -5.791) 6.145 3.840 ( 0.000 -1.908 1.718) 2.568 4.013 ( 0.000 -0.894 -2.408) 2.568 4.132 ( -0.000 2.000 2.519) 3.216 4.235 ( -0.000 0.991 -12.512) 12.551 4.350 ( -0.000 0.837 -3.933) 4.021 4.522 ( 0.000 -1.066 4.051) 4.189 4.680 ( 0.000 -2.226 -0.888) 2.397 4.859 ( -0.000 3.074 1.799) 3.562 4.927 ( 0.000 -4.403 -0.980) 4.511 5.076 ( 0.000 -1.608 4.575) 4.849 5.493 ( 0.000 -2.971 1.928) 3.542 5.758 ( -0.000 6.921 -9.976) 12.141 5.948 ( -0.000 4.853 -14.108) 14.920 6.472 ( 0.000 -1.796 7.605) 7.815 6.570 ( 0.000 -5.235 9.043) 10.449 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -9.242 -0.000 -2.766) 9.647 1.465 ( -4.941 -0.000 0.471) 4.963 1.708 ( -11.525 -0.000 2.530) 11.800 1.829 ( -0.982 -0.000 9.911) 9.960 1.847 ( -8.286 -0.000 -1.161) 8.367 1.935 ( -3.618 -0.000 3.052) 4.733 2.070 ( -8.466 -0.000 1.737) 8.642 2.380 ( -3.469 -0.000 -8.845) 9.501 2.798 ( -1.655 -0.000 10.269) 10.401 2.862 ( -9.674 -0.000 -0.089) 9.675 2.893 ( -10.844 -0.000 -0.933) 10.884 3.013 ( -10.285 -0.000 -0.875) 10.322 3.019 ( -0.952 -0.000 5.885) 5.962 3.200 ( 3.438 0.000 -2.533) 4.271 3.434 ( 9.782 0.000 1.680) 9.925 4.085 ( 0.352 0.000 -15.035) 15.039 4.296 ( -9.606 -0.000 1.674) 9.751 4.450 ( -5.964 -0.000 -2.533) 6.479 4.454 ( -2.024 -0.000 2.068) 2.893 4.694 ( -3.502 -0.000 -3.481) 4.938 4.780 ( -0.472 -0.000 0.874) 0.993 4.780 ( -2.203 -0.000 1.368) 2.593 4.885 ( -1.762 -0.000 4.353) 4.696 4.931 ( -2.209 -0.000 1.857) 2.886 5.022 ( -4.696 -0.000 -0.312) 4.706 5.212 ( 4.527 0.000 -1.436) 4.749 5.490 ( 7.466 0.000 -6.982) 10.222 5.497 ( 12.339 0.000 -4.482) 13.128 6.363 ( 1.722 0.000 5.574) 5.834 6.390 ( 0.987 0.000 5.047) 5.142 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -7.304 -1.889 -1.077) 7.621 1.329 ( -8.392 2.564 4.965) 10.083 1.527 ( -5.509 3.893 -1.308) 6.871 1.696 ( -7.203 -0.295 -1.493) 7.362 1.762 ( -3.360 9.642 9.312) 13.819 1.908 ( -6.974 -1.770 1.080) 7.275 1.918 ( -5.325 -11.655 4.673) 13.640 2.205 ( -14.112 0.344 -8.035) 16.243 2.545 ( -11.520 -0.138 -1.568) 11.627 2.680 ( -7.850 1.471 -3.044) 8.547 2.850 ( 1.069 0.717 12.757) 12.821 2.910 ( -4.777 3.843 3.350) 6.987 2.988 ( -1.196 -6.046 5.663) 8.370 3.284 ( 4.769 -0.107 -1.094) 4.894 3.614 ( 8.398 -0.036 -3.340) 9.038 4.095 ( -10.017 -0.208 1.466) 10.126 4.123 ( 2.260 -0.238 -14.033) 14.216 4.289 ( -9.461 0.570 -3.340) 10.050 4.373 ( -6.207 -0.020 1.432) 6.370 4.574 ( -7.851 0.086 -2.651) 8.287 4.716 ( -5.098 0.144 1.742) 5.389 4.799 ( 1.242 0.805 -0.615) 1.603 4.844 ( -1.084 -0.290 -0.387) 1.187 4.889 ( -6.636 -0.822 0.093) 6.688 4.968 ( 3.201 -1.056 5.734) 6.651 5.314 ( 5.274 -0.845 1.723) 5.613 5.658 ( 9.805 2.535 -9.844) 14.123 5.748 ( 11.503 -1.895 -7.195) 13.700 6.406 ( 2.427 -0.529 6.919) 7.352 6.414 ( 1.487 -0.452 6.134) 6.328 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -5.906 3.178 6.882) 9.610 1.217 ( -2.975 -5.794 0.019) 6.514 1.392 ( -6.231 8.715 0.079) 10.713 1.552 ( -6.218 3.284 -1.854) 7.272 1.617 ( -6.563 0.998 2.872) 7.232 1.800 ( -4.487 -4.488 1.034) 6.431 1.815 ( -9.021 -6.970 3.783) 12.011 2.060 ( 0.767 1.731 -2.056) 2.795 2.355 ( -9.105 5.676 -0.951) 10.772 2.554 ( -3.052 4.262 -2.854) 5.969 2.785 ( -2.981 4.057 7.729) 9.224 2.888 ( 1.342 -0.899 10.083) 10.212 3.062 ( 1.785 -14.332 3.667) 14.901 3.380 ( 4.739 -0.670 0.276) 4.794 3.749 ( 5.491 0.806 -5.624) 7.901 3.914 ( -8.045 -0.962 2.088) 8.367 4.088 ( -7.793 -0.789 -2.538) 8.233 4.199 ( 1.988 3.121 -11.637) 12.211 4.248 ( -4.297 0.379 -1.863) 4.699 4.431 ( -6.354 -0.271 -3.089) 7.070 4.594 ( -6.532 -0.009 1.838) 6.786 4.711 ( -6.182 -0.780 -0.927) 6.300 4.854 ( 0.931 -1.331 -0.967) 1.891 4.877 ( 1.618 -0.111 -0.886) 1.848 5.032 ( 2.312 -0.869 6.418) 6.877 5.411 ( 3.503 -1.803 3.917) 5.556 5.798 ( 5.823 3.480 -12.151) 13.916 5.934 ( 6.704 0.553 -9.154) 11.360 6.439 ( 1.099 -0.462 7.102) 7.201 6.470 ( 2.566 -2.265 8.243) 8.926 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -0.000 5.149 8.794) 10.190 1.241 ( 0.000 -8.453 -4.378) 9.519 1.243 ( -0.000 8.744 2.228) 9.023 1.483 ( -0.000 1.603 -4.627) 4.897 1.546 ( 0.000 -2.197 1.454) 2.634 1.742 ( 0.000 -1.005 5.910) 5.995 1.807 ( 0.000 -9.363 1.417) 9.469 2.114 ( 0.000 -0.242 -3.919) 3.927 2.129 ( -0.000 19.185 7.435) 20.575 2.507 ( -0.000 2.838 -3.774) 4.722 2.748 ( 0.000 -0.587 6.587) 6.613 2.911 ( 0.000 -1.617 10.102) 10.231 3.178 ( 0.000 -14.507 0.293) 14.510 3.450 ( 0.000 -2.800 2.053) 3.472 3.807 ( -0.000 2.751 -6.635) 7.182 3.821 ( 0.000 -1.271 1.849) 2.244 4.003 ( 0.000 -0.708 -2.423) 2.524 4.155 ( -0.000 1.776 2.259) 2.874 4.261 ( -0.000 2.896 -15.535) 15.803 4.354 ( 0.000 -0.167 -3.521) 3.525 4.515 ( 0.000 -0.227 3.730) 3.737 4.655 ( 0.000 -1.788 -0.702) 1.921 4.875 ( 0.000 -1.980 -0.870) 2.163 4.893 ( -0.000 0.442 -0.999) 1.093 5.060 ( 0.000 -0.989 6.062) 6.142 5.459 ( 0.000 -2.428 4.005) 4.684 5.830 ( -0.000 4.847 -12.322) 13.241 5.990 ( -0.000 2.400 -10.664) 10.930 6.455 ( 0.000 -0.961 7.542) 7.603 6.517 ( 0.000 -3.603 8.616) 9.339 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -6.680 -0.000 8.532) 10.836 1.174 ( -3.484 -0.000 0.868) 3.591 1.450 ( -7.429 -0.000 -1.465) 7.572 1.565 ( -5.806 -0.000 -2.737) 6.418 1.651 ( -9.679 -0.000 5.913) 11.342 1.735 ( -5.511 -0.000 -1.925) 5.838 1.790 ( -4.518 -0.000 4.317) 6.249 2.068 ( 1.051 0.000 -3.009) 3.187 2.386 ( -6.777 -0.000 -2.438) 7.202 2.586 ( -2.623 -0.000 -3.746) 4.572 2.880 ( 0.772 0.000 14.706) 14.726 2.889 ( -0.331 -0.000 1.657) 1.690 2.898 ( -2.408 -0.000 8.938) 9.257 3.375 ( 4.318 0.000 -0.274) 4.327 3.754 ( 5.747 0.000 -5.455) 7.924 3.908 ( -7.785 -0.000 2.339) 8.128 4.083 ( -7.527 -0.000 -2.730) 8.007 4.224 ( 3.989 0.000 -15.668) 16.168 4.244 ( -6.233 -0.000 1.466) 6.403 4.429 ( -6.388 -0.000 -2.881) 7.008 4.594 ( -6.515 -0.000 1.447) 6.674 4.706 ( -6.526 -0.000 -0.816) 6.577 4.844 ( 0.437 0.000 -1.389) 1.456 4.878 ( 2.211 0.000 -1.468) 2.654 5.027 ( 2.473 0.000 6.983) 7.408 5.400 ( 3.512 0.000 4.633) 5.814 5.820 ( 5.720 0.000 -13.736) 14.879 5.937 ( 7.357 0.000 -7.248) 10.328 6.437 ( 1.100 0.000 6.942) 7.029 6.455 ( 2.334 0.000 8.167) 8.494 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -0.000 1.133 9.225) 9.295 1.157 ( 0.000 -4.548 0.865) 4.629 1.312 ( -0.000 2.878 1.347) 3.177 1.495 ( -0.000 0.524 -4.397) 4.428 1.565 ( -0.000 3.666 1.593) 3.997 1.709 ( 0.000 -6.317 -2.221) 6.696 1.737 ( 0.000 -0.051 6.265) 6.265 2.111 ( 0.000 -0.211 -3.801) 3.807 2.283 ( -0.000 5.752 0.744) 5.800 2.553 ( -0.000 3.515 -3.286) 4.811 2.798 ( -0.000 10.234 7.797) 12.865 2.901 ( 0.000 -0.368 11.808) 11.814 2.979 ( 0.000 -17.624 4.771) 18.258 3.428 ( 0.000 -0.919 0.283) 0.961 3.811 ( 0.000 -0.445 1.909) 1.960 3.831 ( -0.000 1.075 -6.090) 6.185 3.997 ( 0.000 -0.271 -2.408) 2.423 4.171 ( -0.000 0.763 2.029) 2.168 4.290 ( -0.000 1.473 -17.755) 17.815 4.350 ( 0.000 -0.295 -2.938) 2.953 4.515 ( -0.000 0.091 3.236) 3.237 4.640 ( 0.000 -0.720 -0.569) 0.918 4.852 ( 0.000 -1.098 -1.462) 1.828 4.901 ( -0.000 0.312 -2.278) 2.299 5.053 ( 0.000 -0.302 7.124) 7.131 5.438 ( 0.000 -0.923 5.510) 5.587 5.870 ( -0.000 1.781 -14.419) 14.528 6.008 ( -0.000 0.691 -8.001) 8.031 6.449 ( 0.000 -0.049 7.357) 7.358 6.485 ( 0.000 -1.555 8.501) 8.642 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.000 0.000 19.109) 19.109 0.816 ( 0.000 0.000 17.659) 17.659 1.125 ( 0.000 0.000 -16.264) 16.264 1.131 ( 0.000 0.000 -12.936) 12.936 1.551 ( 0.000 0.000 24.443) 24.443 1.940 ( 0.000 0.000 -12.722) 12.722 1.975 ( 0.000 0.000 0.440) 0.440 1.990 ( 0.000 0.000 -1.061) 1.061 2.404 ( 0.000 0.000 10.498) 10.498 2.684 ( 0.000 0.000 -15.904) 15.904 3.040 ( 0.000 0.000 4.738) 4.738 3.079 ( 0.000 0.000 6.464) 6.464 3.298 ( 0.000 0.000 9.678) 9.678 3.534 ( 0.000 0.000 -5.381) 5.381 3.770 ( 0.000 0.000 3.020) 3.020 3.944 ( 0.000 0.000 -15.829) 15.829 3.950 ( 0.000 0.000 2.033) 2.033 3.999 ( 0.000 0.000 -2.594) 2.594 4.135 ( 0.000 0.000 3.840) 3.840 4.215 ( 0.000 0.000 -3.912) 3.912 4.647 ( 0.000 0.000 3.513) 3.513 4.710 ( 0.000 0.000 -2.601) 2.601 4.940 ( 0.000 0.000 2.526) 2.526 5.005 ( 0.000 0.000 -3.675) 3.675 5.184 ( 0.000 0.000 2.133) 2.133 5.222 ( 0.000 0.000 -1.554) 1.554 5.531 ( 0.000 0.000 0.708) 0.708 5.548 ( 0.000 0.000 -0.997) 0.997 6.709 ( 0.000 0.000 8.284) 8.284 6.854 ( 0.000 0.000 -5.745) 5.745 ======================= Grid point 351 (100/147) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 7.097 -1.467 11.991) 14.011 0.863 ( 6.113 -3.576 9.101) 11.532 1.219 ( 7.903 -0.543 -7.586) 10.968 1.254 ( 9.582 0.554 -12.917) 16.092 1.688 ( 12.530 -3.625 22.056) 25.624 1.978 ( 3.684 -1.290 -6.839) 7.874 2.033 ( 6.504 1.629 1.677) 6.912 2.088 ( 8.309 -0.073 -3.872) 9.167 2.379 ( -1.063 0.471 10.364) 10.429 2.668 ( 0.933 4.893 -15.610) 16.385 3.032 ( -0.069 0.467 6.173) 6.191 3.077 ( -0.752 -3.698 5.697) 6.834 3.263 ( -2.541 1.380 6.826) 7.413 3.467 ( -3.828 7.211 -4.584) 9.363 3.664 ( -9.325 -4.320 5.634) 11.720 3.858 ( -6.415 0.124 -13.441) 14.894 4.054 ( 7.176 0.125 -1.567) 7.346 4.071 ( 6.126 -0.479 -2.197) 6.525 4.254 ( 10.522 0.029 4.791) 11.562 4.362 ( 10.264 0.181 -5.817) 11.799 4.670 ( 1.638 -0.248 2.129) 2.698 4.710 ( -0.218 -0.019 -1.645) 1.660 4.974 ( 3.885 1.258 3.508) 5.384 5.055 ( 2.797 0.976 -3.533) 4.611 5.168 ( -1.510 -0.074 2.544) 2.959 5.250 ( 3.178 -2.320 -6.864) 7.912 5.505 ( -2.727 -0.788 -0.177) 2.845 5.512 ( -3.711 -0.920 -0.782) 3.902 6.683 ( -2.284 0.655 7.648) 8.009 6.800 ( -4.383 1.475 -3.310) 5.687 ======================= Grid point 352 (101/147) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 14.023 -1.683 5.182) 15.044 1.094 ( 13.643 -4.862 1.193) 14.533 1.408 ( 10.924 -0.245 -2.521) 11.214 1.431 ( 9.828 2.125 -6.045) 11.732 1.965 ( 10.390 -1.882 7.976) 13.233 2.080 ( 5.279 -1.560 -4.137) 6.886 2.208 ( 10.448 1.119 2.756) 10.863 2.226 ( 6.225 4.457 0.941) 7.714 2.436 ( 8.338 -4.807 11.718) 15.164 2.718 ( 6.873 1.802 -10.800) 12.928 3.052 ( 2.862 1.285 8.545) 9.102 3.101 ( 1.101 -2.148 2.396) 3.401 3.198 ( -2.908 2.023 3.106) 4.711 3.331 ( -5.089 7.058 0.761) 8.734 3.495 ( -10.768 -4.707 1.795) 11.889 3.710 ( -7.934 0.170 -18.157) 19.815 4.200 ( 7.807 0.372 -0.290) 7.822 4.214 ( 7.684 -0.613 -1.649) 7.883 4.466 ( 10.013 0.964 3.247) 10.570 4.520 ( 5.687 0.181 -1.991) 6.028 4.705 ( 0.198 -0.945 0.498) 1.086 4.706 ( 1.872 -1.236 0.426) 2.283 5.032 ( 0.068 3.055 1.963) 3.632 5.052 ( -0.127 1.732 -0.023) 1.737 5.147 ( 0.579 -0.313 6.312) 6.346 5.330 ( 0.729 -0.007 -8.447) 8.479 5.415 ( -6.243 -0.777 0.538) 6.314 5.479 ( 0.695 -1.902 -8.742) 8.974 6.623 ( -3.078 1.172 6.377) 7.177 6.696 ( -4.755 2.208 -0.230) 5.247 ======================= Grid point 353 (102/147) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 14.971 -0.742 2.065) 15.131 1.398 ( 14.193 -3.095 -2.883) 14.810 1.617 ( 11.123 1.566 0.997) 11.277 1.641 ( 12.464 -0.090 -0.986) 12.503 2.103 ( 4.898 0.787 3.977) 6.359 2.179 ( 4.314 0.165 -3.299) 5.434 2.281 ( 3.543 2.179 2.387) 4.795 2.337 ( 3.453 1.103 -3.053) 4.739 2.730 ( 11.500 -3.313 9.367) 15.198 2.837 ( 2.889 -2.495 -0.317) 3.831 3.088 ( -0.764 2.279 13.523) 13.735 3.109 ( 0.963 4.082 4.700) 6.299 3.147 ( -1.145 3.022 2.078) 3.842 3.272 ( 4.134 -1.062 -0.852) 4.352 3.322 ( -7.580 -3.009 -3.590) 8.911 3.603 ( -1.574 -1.741 -22.849) 22.969 4.338 ( 6.072 -0.070 -0.016) 6.072 4.356 ( 6.270 -0.087 -1.802) 6.525 4.576 ( 1.289 -1.124 0.854) 1.911 4.582 ( 1.316 -1.239 0.098) 1.810 4.746 ( 4.012 0.311 2.853) 4.933 4.785 ( 4.840 -1.098 -0.911) 5.046 4.966 ( -3.332 2.498 2.369) 4.791 5.011 ( -2.826 2.282 -1.676) 4.000 5.192 ( 2.206 1.737 6.073) 6.691 5.274 ( -4.280 0.827 -2.260) 4.910 5.304 ( -4.406 -1.316 4.496) 6.431 5.532 ( 2.510 0.999 -15.685) 15.916 6.558 ( -2.709 1.408 5.106) 5.949 6.599 ( -3.772 2.469 1.407) 4.722 ======================= Grid point 354 (103/147) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 11.987 0.811 0.428) 12.022 1.649 ( 10.619 0.427 -4.675) 11.610 1.842 ( 12.038 -0.279 5.538) 13.254 1.885 ( 12.148 -0.646 -0.167) 12.166 2.168 ( 2.619 0.945 4.283) 5.109 2.246 ( 3.230 2.453 -2.709) 4.878 2.338 ( 2.683 -0.008 0.405) 2.713 2.368 ( 0.273 -0.213 -2.502) 2.526 2.737 ( -5.303 1.013 4.059) 6.754 2.779 ( -8.912 2.603 1.246) 9.368 3.000 ( -5.417 -0.615 9.262) 10.747 3.088 ( -3.776 -2.600 6.410) 7.881 3.189 ( -0.505 -2.328 -4.244) 4.867 3.255 ( 2.246 2.728 -2.914) 4.580 3.488 ( 14.654 -2.562 4.015) 15.409 3.721 ( 11.943 -0.348 -17.636) 21.302 4.417 ( 1.794 0.280 -0.029) 1.816 4.433 ( 1.576 0.896 -1.524) 2.368 4.608 ( 1.386 -2.909 0.608) 3.279 4.615 ( 2.005 -3.299 0.137) 3.863 4.818 ( 2.900 0.557 2.885) 4.128 4.854 ( -0.244 0.171 -0.128) 0.324 4.909 ( 0.659 1.087 0.343) 1.317 4.933 ( -3.379 2.212 -1.591) 4.340 5.167 ( -1.899 1.465 1.558) 2.860 5.206 ( -1.834 1.140 -1.330) 2.536 5.288 ( 0.804 0.461 9.209) 9.255 5.540 ( -0.380 3.093 -14.185) 14.524 6.504 ( -1.990 1.312 3.931) 4.597 6.522 ( -2.727 2.222 2.283) 4.194 ======================= Grid point 355 (104/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 7.179 1.751 -0.370) 7.399 1.804 ( 6.165 2.047 -3.451) 7.355 2.043 ( 7.211 0.242 7.212) 10.202 2.099 ( 8.537 -0.488 -0.459) 8.564 2.213 ( 3.278 0.624 2.641) 4.255 2.261 ( 0.871 4.335 -1.330) 4.617 2.344 ( -3.333 -1.983 0.287) 3.889 2.367 ( -0.096 -0.347 -1.264) 1.314 2.588 ( -6.222 2.646 6.266) 9.218 2.665 ( -2.040 -2.063 -0.890) 3.034 2.920 ( -3.079 -1.980 6.766) 7.693 3.032 ( -2.667 -0.977 -1.100) 3.045 3.150 ( -3.377 -0.415 -1.356) 3.663 3.246 ( -3.232 -1.952 -6.240) 7.293 3.787 ( 13.442 0.441 6.692) 15.022 3.977 ( 12.781 0.709 -12.272) 17.733 4.416 ( -0.921 0.811 -0.148) 1.236 4.425 ( -1.003 1.077 -1.047) 1.807 4.651 ( 0.287 -0.607 1.479) 1.624 4.679 ( 1.488 -1.396 -0.828) 2.202 4.796 ( -1.771 -0.800 1.893) 2.713 4.854 ( -0.886 -2.118 -3.159) 3.906 4.909 ( 3.527 -0.266 3.058) 4.675 4.952 ( 2.033 -0.388 -0.907) 2.260 5.144 ( 0.196 1.348 1.830) 2.281 5.181 ( -0.242 1.160 -1.375) 1.815 5.286 ( -0.626 1.358 7.281) 7.433 5.484 ( -3.061 3.893 -11.106) 12.160 6.465 ( -1.373 1.146 3.029) 3.518 6.468 ( -1.593 1.324 2.660) 3.371 ======================= Grid point 356 (105/147) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 1.859 1.034 -0.862) 2.295 1.864 ( 1.459 1.571 -2.335) 3.170 2.102 ( 0.579 0.477 5.963) 6.010 2.164 ( -0.009 0.761 -1.472) 1.657 2.260 ( -0.510 -0.074 4.132) 4.164 2.297 ( 3.874 -0.029 -0.141) 3.877 2.330 ( 1.714 -0.454 1.464) 2.299 2.352 ( -0.719 0.516 0.341) 0.949 2.520 ( -0.834 0.606 6.579) 6.659 2.647 ( -1.625 -1.729 -2.524) 3.464 2.926 ( 2.106 -0.996 3.083) 3.864 3.001 ( -1.096 -0.504 -2.262) 2.563 3.081 ( -2.898 0.448 0.094) 2.933 3.184 ( -2.971 -1.180 -6.749) 7.467 3.971 ( 5.360 0.544 7.656) 9.362 4.162 ( 5.655 0.085 -11.541) 12.853 4.391 ( -0.813 0.732 -0.180) 1.108 4.400 ( -0.758 0.600 -1.118) 1.478 4.620 ( -1.647 0.724 2.116) 2.778 4.663 ( -1.545 0.561 -1.998) 2.588 4.806 ( 0.799 -0.771 3.868) 4.024 4.885 ( 1.264 -1.614 -3.665) 4.200 4.991 ( 1.436 -1.024 0.793) 1.934 5.000 ( 3.562 -2.375 -0.027) 4.281 5.145 ( 0.372 0.691 1.766) 1.932 5.169 ( -0.634 1.062 0.285) 1.269 5.259 ( -0.887 0.712 4.047) 4.204 5.396 ( -2.873 2.527 -8.217) 9.064 6.438 ( -0.588 0.555 2.936) 3.046 6.445 ( -0.453 0.339 2.335) 2.403 ======================= Grid point 364 (106/147) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 14.296 0.000 4.233) 14.909 1.063 ( 14.454 0.000 1.924) 14.582 1.409 ( 11.279 0.000 -2.168) 11.485 1.445 ( 9.812 0.000 -6.536) 11.790 1.951 ( 12.144 0.000 8.916) 15.065 2.068 ( 5.474 0.000 -3.544) 6.521 2.216 ( 9.820 0.000 2.647) 10.170 2.259 ( 7.397 0.000 -2.204) 7.719 2.401 ( 6.841 0.000 14.886) 16.383 2.729 ( 4.589 0.000 -13.296) 14.066 3.072 ( 1.559 0.000 10.302) 10.420 3.077 ( 4.878 0.000 0.855) 4.952 3.209 ( -3.275 -0.000 4.712) 5.738 3.411 ( -4.710 -0.000 -5.752) 7.435 3.432 ( -12.324 -0.000 8.774) 15.128 3.711 ( -8.333 -0.000 -18.763) 20.530 4.204 ( 7.323 0.000 -0.759) 7.363 4.208 ( 8.177 0.000 -1.344) 8.286 4.473 ( 10.056 0.000 3.054) 10.510 4.521 ( 5.256 0.000 -1.675) 5.517 4.698 ( 2.160 0.000 0.479) 2.212 4.699 ( -0.089 -0.000 0.250) 0.265 5.057 ( 2.287 0.000 1.374) 2.668 5.057 ( -2.549 -0.000 0.836) 2.683 5.145 ( 0.704 0.000 6.147) 6.187 5.330 ( 1.410 0.000 -8.259) 8.379 5.410 ( -6.167 -0.000 0.165) 6.169 5.467 ( 1.372 0.000 -8.749) 8.856 6.630 ( -3.118 -0.000 6.635) 7.332 6.710 ( -4.908 -0.000 -0.591) 4.943 ======================= Grid point 365 (107/147) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 15.519 -0.451 1.188) 15.571 1.369 ( 15.655 -1.318 -1.739) 15.806 1.636 ( 11.080 1.277 0.075) 11.153 1.644 ( 12.012 0.047 -0.517) 12.023 2.107 ( 4.851 0.085 3.367) 5.906 2.173 ( 4.981 -0.574 -2.825) 5.755 2.303 ( 2.337 1.197 1.918) 3.252 2.348 ( 2.633 0.624 -2.627) 3.771 2.699 ( 15.901 -1.546 10.292) 19.004 2.816 ( 2.342 -0.953 -0.548) 2.588 3.103 ( -1.188 0.518 16.404) 16.455 3.156 ( -1.815 3.281 5.959) 7.041 3.186 ( -2.223 2.708 1.297) 3.737 3.240 ( 5.293 -3.354 -1.992) 6.575 3.299 ( -7.412 -1.089 -5.797) 9.473 3.589 ( -1.884 -0.591 -23.061) 23.145 4.337 ( 5.975 -0.077 -0.032) 5.976 4.356 ( 6.723 0.036 -1.902) 6.987 4.564 ( -0.011 -0.638 0.908) 1.110 4.572 ( 0.404 -0.479 -0.153) 0.645 4.755 ( 5.398 0.927 1.879) 5.791 4.772 ( 4.778 -1.005 0.050) 4.883 4.988 ( -3.772 1.004 2.328) 4.545 5.031 ( -2.900 0.897 -1.509) 3.390 5.207 ( 3.087 0.690 6.930) 7.618 5.278 ( -4.125 0.015 -2.121) 4.638 5.293 ( -4.766 -0.427 4.316) 6.444 5.539 ( 3.541 0.324 -16.723) 17.097 6.570 ( -2.839 0.519 5.562) 6.266 6.620 ( -4.033 0.928 1.003) 4.258 ======================= Grid point 366 (108/147) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 12.620 0.219 0.011) 12.621 1.649 ( 11.901 -0.298 -3.980) 12.553 1.845 ( 11.427 0.521 5.245) 12.584 1.882 ( 11.957 -0.089 0.295) 11.961 2.170 ( 2.185 -0.246 4.429) 4.945 2.265 ( 4.444 0.752 -3.730) 5.850 2.339 ( 1.578 0.184 0.745) 1.755 2.369 ( -0.147 0.233 -2.315) 2.331 2.760 ( -5.712 2.567 4.034) 7.449 2.801 ( -6.821 0.679 0.858) 6.908 3.001 ( -5.282 0.531 9.529) 10.908 3.065 ( -3.588 -1.107 7.906) 8.753 3.153 ( -4.010 -3.213 -4.286) 6.692 3.289 ( 0.414 2.476 -6.658) 7.115 3.456 ( 17.065 -2.576 6.768) 18.538 3.720 ( 13.271 0.088 -17.920) 22.299 4.421 ( 2.418 0.386 0.348) 2.473 4.446 ( 2.172 1.064 -1.857) 3.049 4.574 ( 0.897 -2.520 0.601) 2.742 4.580 ( 1.336 -2.320 -0.255) 2.689 4.825 ( 1.483 0.488 1.868) 2.435 4.856 ( 1.956 0.215 -0.575) 2.050 4.921 ( -1.232 0.752 2.032) 2.493 4.958 ( -3.528 1.667 -1.415) 4.150 5.181 ( -2.144 0.901 1.101) 2.572 5.214 ( -2.041 0.315 -1.714) 2.684 5.293 ( 1.619 0.225 10.698) 10.822 5.568 ( -0.035 1.580 -15.294) 15.375 6.516 ( -2.210 0.760 4.449) 5.026 6.543 ( -3.137 1.315 1.958) 3.925 ======================= Grid point 367 (109/147) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 7.220 1.116 -0.661) 7.335 1.822 ( 6.256 0.846 -3.596) 7.266 2.047 ( 7.917 0.295 8.188) 11.393 2.092 ( 8.909 -0.518 0.299) 8.929 2.213 ( 2.548 -0.402 4.566) 5.244 2.308 ( 0.421 3.126 -1.522) 3.502 2.331 ( -3.387 -0.222 -0.171) 3.399 2.367 ( 1.652 0.421 -3.793) 4.158 2.619 ( -6.748 2.205 3.436) 7.887 2.647 ( -4.662 -1.093 0.555) 4.820 2.912 ( -2.625 0.774 8.666) 9.088 3.018 ( -2.106 -1.114 0.242) 2.395 3.112 ( -3.953 -5.512 -1.056) 6.865 3.241 ( -3.283 0.952 -8.632) 9.284 3.793 ( 14.766 0.524 6.798) 16.264 3.983 ( 12.283 0.360 -12.093) 17.241 4.429 ( -0.491 1.258 0.046) 1.352 4.441 ( -0.936 1.445 -1.003) 1.993 4.633 ( 2.507 -2.104 1.077) 3.446 4.655 ( 3.547 -2.337 -0.884) 4.339 4.787 ( -2.895 -0.661 1.391) 3.280 4.837 ( -2.801 -0.553 -2.972) 4.121 4.915 ( 1.699 0.963 2.997) 3.577 4.949 ( 1.485 -0.206 -0.066) 1.500 5.160 ( 0.087 1.122 1.429) 1.819 5.191 ( -0.329 0.523 -1.524) 1.644 5.300 ( -0.613 0.858 8.492) 8.558 5.522 ( -3.303 2.468 -12.367) 13.036 6.476 ( -1.549 0.702 3.364) 3.769 6.483 ( -2.246 1.133 2.562) 3.591 ======================= Grid point 368 (110/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.868 0.808 -0.839) 1.452 1.880 ( 0.300 0.997 -2.743) 2.934 2.106 ( -0.183 0.246 6.975) 6.982 2.171 ( -0.560 0.541 -1.231) 1.457 2.256 ( -0.846 -0.225 4.691) 4.772 2.294 ( 3.421 -0.492 1.267) 3.681 2.334 ( 2.082 0.390 0.177) 2.126 2.379 ( 0.885 4.185 -1.520) 4.540 2.528 ( -1.764 0.650 5.244) 5.571 2.623 ( -0.136 -2.325 -1.953) 3.040 2.912 ( 2.173 -1.264 4.557) 5.205 2.994 ( -0.869 -0.752 -1.413) 1.822 3.064 ( -3.177 -3.113 0.248) 4.455 3.178 ( -1.930 0.342 -7.709) 7.954 3.984 ( 5.306 1.541 6.433) 8.480 4.155 ( 4.619 -1.152 -10.631) 11.649 4.405 ( -0.955 1.421 -0.513) 1.788 4.411 ( -1.108 1.241 -0.956) 1.919 4.627 ( -2.263 0.399 2.269) 3.230 4.670 ( -1.760 0.678 -1.967) 2.725 4.801 ( 2.610 -0.108 2.841) 3.859 4.862 ( 3.235 -2.229 -2.836) 4.846 4.969 ( 3.106 -2.441 0.919) 4.056 4.976 ( 1.292 -1.335 0.283) 1.879 5.156 ( 0.012 0.963 1.563) 1.836 5.181 ( -0.652 0.915 -0.478) 1.221 5.266 ( -1.826 0.555 5.367) 5.696 5.425 ( -4.661 2.117 -9.110) 10.450 6.444 ( -1.215 0.502 2.886) 3.171 6.450 ( -0.820 0.324 2.505) 2.655 ======================= Grid point 369 (111/147) ======================= q-point: (-0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -3.254 -1.065 -0.900) 3.540 1.847 ( -2.810 -1.188 -1.990) 3.643 2.094 ( -1.102 -0.867 5.268) 5.451 2.152 ( -0.942 -1.191 -1.526) 2.153 2.255 ( -1.384 -0.569 3.317) 3.639 2.293 ( -4.119 -0.658 -1.143) 4.325 2.348 ( 0.661 0.819 3.530) 3.683 2.367 ( 1.223 4.267 0.587) 4.477 2.516 ( 0.213 -0.114 6.493) 6.498 2.662 ( 2.986 0.571 -3.992) 5.018 2.936 ( -0.333 0.706 3.063) 3.161 3.005 ( 0.930 0.130 -2.941) 3.088 3.064 ( 2.673 -1.977 3.192) 4.609 3.194 ( 3.593 0.159 -7.006) 7.875 3.973 ( -5.569 0.900 6.617) 8.695 4.152 ( -6.078 -1.539 -11.260) 12.889 4.389 ( 0.347 0.258 -0.288) 0.520 4.396 ( 0.301 0.023 -1.068) 1.110 4.610 ( 0.782 -0.910 2.450) 2.728 4.658 ( 0.968 -0.267 -2.161) 2.383 4.822 ( 0.193 1.895 3.875) 4.318 4.902 ( 0.254 1.202 -3.731) 3.929 4.995 ( -0.545 -0.586 1.355) 1.574 5.019 ( -1.439 0.455 -0.897) 1.755 5.143 ( -1.065 0.503 1.725) 2.089 5.160 ( -0.168 -0.311 1.125) 1.180 5.249 ( -0.045 -0.957 2.896) 3.050 5.367 ( 0.103 -2.231 -7.406) 7.735 6.432 ( -0.059 -0.471 2.993) 3.031 6.442 ( 0.051 -0.272 2.160) 2.178 ======================= Grid point 370 (112/147) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -7.164 -2.259 -0.318) 7.518 1.776 ( -6.167 -2.610 -3.008) 7.341 2.041 ( -6.060 -0.121 6.156) 8.639 2.103 ( -7.397 0.247 -1.361) 7.525 2.197 ( -4.531 -1.941 1.158) 5.063 2.211 ( -1.514 -3.757 -0.263) 4.059 2.368 ( 0.229 0.653 0.838) 1.087 2.377 ( 1.242 2.061 -0.572) 2.473 2.566 ( 6.271 -0.502 8.574) 10.635 2.697 ( 2.011 3.215 -2.623) 4.611 2.953 ( 3.880 3.308 4.515) 6.811 3.037 ( 2.926 -0.079 -2.872) 4.101 3.139 ( 2.983 -1.364 3.263) 4.627 3.269 ( 3.085 1.169 -5.916) 6.774 3.784 ( -12.747 0.093 5.769) 13.992 3.966 ( -12.677 -1.018 -12.323) 17.709 4.410 ( 1.221 -0.281 -0.370) 1.306 4.416 ( 1.117 -0.522 -0.997) 1.586 4.647 ( 1.113 -1.201 2.090) 2.656 4.686 ( 0.490 -0.133 -1.512) 1.596 4.807 ( 0.220 1.225 3.255) 3.484 4.881 ( -0.304 2.195 -3.577) 4.208 4.926 ( -4.809 2.500 2.154) 5.832 4.960 ( -2.428 0.990 -0.920) 2.779 5.130 ( -0.425 -0.975 1.847) 2.131 5.164 ( -0.067 -1.618 -0.832) 1.821 5.268 ( 0.598 -1.769 5.616) 5.918 5.431 ( 2.621 -4.918 -9.359) 10.893 6.448 ( 1.101 -1.508 3.008) 3.540 6.455 ( 0.905 -0.969 2.378) 2.723 ======================= Grid point 371 (113/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -11.348 -1.431 0.620) 11.455 1.635 ( -9.573 -1.905 -4.708) 10.837 1.856 ( -11.465 2.125 5.338) 12.824 1.900 ( -11.519 1.850 -0.494) 11.677 2.144 ( -3.316 -2.993 3.819) 5.877 2.207 ( -2.761 -4.031 -2.213) 5.364 2.334 ( -3.237 -0.865 0.983) 3.492 2.372 ( -1.323 0.062 -2.761) 3.062 2.742 ( 4.553 1.985 3.473) 6.061 2.754 ( 11.005 -0.845 3.651) 11.625 3.015 ( 3.242 1.696 6.224) 7.219 3.119 ( 4.308 2.229 5.044) 6.997 3.189 ( 2.224 -2.582 -4.112) 5.341 3.241 ( -6.834 0.437 0.123) 6.850 3.512 ( -13.629 1.267 3.208) 14.059 3.730 ( -9.772 1.101 -17.516) 20.088 4.415 ( -1.508 -0.115 -0.208) 1.526 4.426 ( -0.926 -0.188 -1.345) 1.644 4.635 ( -1.911 1.154 1.307) 2.587 4.652 ( -2.114 2.707 -0.098) 3.436 4.812 ( -2.685 -0.551 3.449) 4.405 4.854 ( 0.715 0.583 1.054) 1.401 4.898 ( -1.275 -0.779 -1.894) 2.412 4.914 ( 1.535 -0.403 -1.496) 2.182 5.147 ( 1.338 -1.800 1.745) 2.842 5.186 ( 1.554 -2.044 -0.841) 2.702 5.281 ( 0.289 -0.755 7.209) 7.254 5.495 ( 0.891 -4.412 -12.380) 13.173 6.486 ( 1.717 -1.551 3.262) 3.999 6.493 ( 2.178 -2.470 2.641) 4.221 ======================= Grid point 372 (114/147) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -13.799 0.462 2.897) 14.107 1.431 ( -11.685 1.759 -5.441) 13.009 1.611 ( -11.831 1.207 3.581) 12.420 1.657 ( -11.843 2.709 -1.274) 12.215 2.082 ( -5.080 -2.971 4.241) 7.254 2.159 ( -3.897 -3.207 -3.120) 5.934 2.260 ( -4.917 -1.192 2.435) 5.615 2.326 ( -3.971 -0.807 -3.630) 5.440 2.770 ( -5.589 3.157 8.071) 10.312 2.872 ( -4.454 3.032 -0.671) 5.429 3.048 ( 1.743 -4.209 10.163) 11.138 3.066 ( -4.386 -2.608 2.148) 5.537 3.124 ( -1.051 -1.115 7.031) 7.196 3.265 ( -1.801 -1.855 -2.360) 3.501 3.365 ( 5.867 3.684 -0.731) 6.966 3.629 ( 0.660 2.478 -22.233) 22.381 4.338 ( -6.263 -0.112 0.280) 6.270 4.360 ( -5.779 0.483 -1.880) 6.097 4.582 ( -3.797 -0.210 1.609) 4.130 4.602 ( -2.163 1.712 -0.270) 2.771 4.750 ( -2.462 1.039 3.119) 4.107 4.799 ( -4.349 1.267 -1.411) 4.745 4.933 ( 2.698 -2.679 2.450) 4.523 4.980 ( 2.567 -2.654 -1.769) 4.095 5.167 ( -1.428 -2.464 5.344) 6.056 5.258 ( 4.147 -1.876 -2.689) 5.287 5.322 ( 4.870 1.508 4.067) 6.521 5.515 ( -0.628 -1.726 -13.775) 13.897 6.537 ( 2.487 -1.911 4.348) 5.361 6.564 ( 3.362 -3.229 2.019) 5.080 ======================= Grid point 373 (115/147) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -12.607 3.245 6.407) 14.509 1.169 ( -11.716 7.175 -1.073) 13.780 1.404 ( -10.049 -1.780 -3.463) 10.777 1.425 ( -9.849 2.787 -3.276) 10.748 1.982 ( -6.829 0.143 5.989) 9.084 2.086 ( -5.405 -1.085 -4.137) 6.892 2.170 ( -6.335 -4.423 3.599) 8.524 2.202 ( -9.298 0.420 0.731) 9.336 2.499 ( -10.970 5.503 9.059) 15.254 2.687 ( -11.719 -3.278 -4.791) 13.078 3.044 ( -0.798 -0.155 8.653) 8.691 3.116 ( 1.598 -0.912 5.338) 5.646 3.158 ( 3.127 -3.665 -1.976) 5.207 3.272 ( 1.894 -2.094 -0.703) 2.910 3.532 ( 10.463 1.509 0.737) 10.597 3.708 ( 7.088 -0.000 -17.147) 18.554 4.196 ( -7.997 -0.441 0.449) 8.021 4.220 ( -7.669 0.464 -1.956) 7.928 4.453 ( -9.781 -1.115 3.577) 10.474 4.517 ( -6.593 -0.331 -2.601) 7.095 4.719 ( -0.527 1.313 0.917) 1.686 4.725 ( -1.964 1.767 0.353) 2.665 4.989 ( -0.126 -3.918 2.214) 4.502 5.020 ( -0.452 -3.417 -0.747) 3.526 5.149 ( 0.074 -0.062 6.678) 6.678 5.329 ( 1.203 -0.263 -8.563) 8.651 5.429 ( 6.188 1.656 1.052) 6.492 5.508 ( 1.153 2.751 -8.663) 9.162 6.603 ( 2.960 -2.023 5.703) 6.737 6.660 ( 4.391 -3.608 0.630) 5.718 ======================= Grid point 374 (116/147) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -6.185 4.927 11.640) 14.072 0.940 ( -5.710 8.758 6.899) 12.526 1.226 ( -8.192 -0.282 -8.944) 12.131 1.254 ( -7.138 1.854 -10.042) 12.459 1.765 ( -11.130 8.412 18.691) 23.324 1.989 ( -4.542 -2.413 -2.137) 5.569 2.016 ( -5.658 1.584 0.038) 5.875 2.080 ( -6.469 -1.800 -2.077) 7.029 2.373 ( -1.810 -0.086 5.971) 6.240 2.566 ( -4.191 -11.043 -8.527) 14.568 3.036 ( 0.534 1.065 9.076) 9.154 3.134 ( 1.470 4.517 2.546) 5.390 3.233 ( 2.344 -3.090 0.224) 3.885 3.358 ( 3.021 -9.023 -3.148) 10.022 3.711 ( 8.433 2.353 3.227) 9.331 3.854 ( 6.943 -0.416 -10.813) 12.857 4.052 ( -6.627 -0.206 -0.649) 6.662 4.078 ( -6.297 0.323 -3.000) 6.983 4.254 ( -9.706 0.119 4.630) 10.754 4.358 ( -9.606 -0.435 -5.573) 11.114 4.673 ( -2.563 0.192 2.021) 3.270 4.710 ( -0.537 -0.001 -1.361) 1.464 4.951 ( -3.692 -2.253 4.387) 6.161 5.030 ( -1.258 -3.040 -2.757) 4.292 5.171 ( 1.454 0.368 3.777) 4.064 5.297 ( -1.570 4.939 -9.617) 10.924 5.516 ( 3.267 1.043 0.380) 3.450 5.541 ( 3.333 3.756 -2.157) 5.465 6.668 ( 2.244 -1.797 7.132) 7.690 6.768 ( 4.013 -3.738 -2.061) 5.859 ======================= Grid point 375 (117/147) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -0.000 3.869 17.221) 17.651 0.856 ( -0.000 6.499 16.235) 17.488 1.127 ( -0.000 0.152 -16.536) 16.537 1.151 ( -0.000 3.279 -12.276) 12.706 1.594 ( -0.000 7.070 24.019) 25.037 1.954 ( -0.000 1.898 -10.593) 10.761 1.957 ( 0.000 -2.156 1.770) 2.789 2.000 ( -0.000 0.894 -2.355) 2.519 2.381 ( 0.000 -3.358 8.557) 9.192 2.609 ( 0.000 -11.467 -10.845) 15.783 3.041 ( -0.000 0.622 7.273) 7.300 3.121 ( -0.000 5.584 2.672) 6.190 3.278 ( 0.000 -3.080 4.879) 5.769 3.459 ( 0.000 -10.453 -5.123) 11.641 3.793 ( -0.000 2.871 4.102) 5.007 3.944 ( 0.000 -0.937 2.119) 2.317 3.977 ( -0.000 3.823 -15.101) 15.577 3.994 ( 0.000 -0.731 -2.621) 2.721 4.141 ( -0.000 0.922 3.807) 3.917 4.221 ( -0.000 0.917 -3.935) 4.040 4.643 ( 0.000 -0.684 3.505) 3.571 4.706 ( 0.000 -0.780 -2.561) 2.677 4.922 ( 0.000 -1.850 4.612) 4.969 5.016 ( -0.000 0.362 -4.445) 4.460 5.185 ( -0.000 0.155 2.716) 2.720 5.251 ( -0.000 4.783 -4.329) 6.452 5.540 ( -0.000 1.253 0.486) 1.344 5.559 ( -0.000 2.235 -1.176) 2.526 6.701 ( 0.000 -1.300 7.997) 8.102 6.834 ( 0.000 -3.170 -4.708) 5.676 ======================= Grid point 378 (118/147) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 12.939 0.000 -0.206) 12.941 1.646 ( 12.418 0.000 -3.598) 12.929 1.849 ( 10.965 0.000 5.059) 12.076 1.881 ( 11.775 0.000 0.521) 11.787 2.168 ( 2.057 0.000 4.437) 4.891 2.269 ( 5.130 0.000 -4.207) 6.634 2.341 ( 1.021 0.000 0.959) 1.401 2.371 ( -0.257 -0.000 -2.228) 2.243 2.786 ( -5.224 -0.000 3.090) 6.069 2.796 ( -6.865 -0.000 2.472) 7.296 3.005 ( -3.182 -0.000 7.835) 8.457 3.061 ( -3.271 -0.000 10.675) 11.164 3.129 ( -7.954 -0.000 -5.962) 9.940 3.306 ( -0.871 -0.000 -9.028) 9.070 3.438 ( 19.250 0.000 9.247) 21.355 3.721 ( 13.658 0.000 -18.080) 22.659 4.424 ( 2.803 0.000 0.563) 2.859 4.453 ( 2.582 0.000 -2.117) 3.339 4.557 ( 0.553 0.000 0.801) 0.974 4.565 ( 0.883 0.000 -0.546) 1.038 4.828 ( 0.593 0.000 1.461) 1.577 4.858 ( 3.160 0.000 -0.685) 3.233 4.925 ( -1.996 -0.000 2.697) 3.355 4.968 ( -3.540 -0.000 -1.395) 3.805 5.187 ( -2.224 -0.000 0.851) 2.381 5.215 ( -2.086 -0.000 -1.802) 2.756 5.294 ( 1.916 0.000 11.225) 11.387 5.578 ( 0.087 0.000 -15.666) 15.666 6.521 ( -2.292 -0.000 4.643) 5.178 6.551 ( -3.292 -0.000 1.829) 3.766 ======================= Grid point 379 (119/147) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 7.355 0.469 -1.180) 7.464 1.826 ( 6.097 0.033 -3.248) 6.908 2.050 ( 8.414 0.168 8.671) 12.083 2.087 ( 9.029 -0.234 0.726) 9.061 2.208 ( 2.411 -0.238 5.553) 6.058 2.331 ( -1.377 0.774 -0.368) 1.621 2.332 ( -3.127 0.139 -0.400) 3.155 2.376 ( 5.055 0.726 -6.632) 8.371 2.632 ( -6.308 -0.002 1.900) 6.588 2.642 ( -7.819 0.349 1.128) 7.907 2.937 ( -3.380 2.775 9.089) 10.086 3.010 ( -1.889 0.045 1.062) 2.167 3.041 ( -3.448 -5.366 0.997) 6.456 3.253 ( -3.518 0.662 -10.782) 11.360 3.798 ( 15.814 0.219 6.677) 17.168 3.986 ( 11.737 0.099 -11.900) 16.715 4.441 ( -0.364 0.662 0.377) 0.844 4.457 ( -0.872 0.930 -1.183) 1.739 4.610 ( 3.926 -1.346 1.050) 4.281 4.631 ( 4.661 -1.210 -1.412) 5.019 4.781 ( -3.501 -0.247 1.727) 3.911 4.836 ( -4.005 0.076 -3.225) 5.143 4.925 ( 0.952 0.561 2.483) 2.717 4.946 ( 0.975 -0.145 0.870) 1.314 5.169 ( 0.031 0.460 1.078) 1.172 5.195 ( -0.308 0.104 -1.443) 1.479 5.307 ( -0.598 0.292 9.102) 9.126 5.542 ( -3.406 0.842 -13.020) 13.485 6.481 ( -1.714 0.256 3.596) 3.991 6.493 ( -2.562 0.423 2.458) 3.575 ======================= Grid point 380 (120/147) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.313 0.675 -1.145) 1.366 1.886 ( -0.088 -0.028 -2.606) 2.607 2.109 ( -1.074 0.228 7.715) 7.792 2.178 ( -0.980 0.585 -1.330) 1.753 2.258 ( 0.751 0.457 5.449) 5.519 2.285 ( 2.030 -0.890 2.289) 3.187 2.337 ( 1.649 0.150 -0.019) 1.656 2.440 ( 2.549 5.281 -4.690) 7.509 2.535 ( -2.393 0.591 3.090) 3.953 2.591 ( 0.544 -2.944 -1.975) 3.586 2.896 ( 0.338 -1.383 7.946) 8.073 2.985 ( -0.393 -0.574 -1.173) 1.363 3.024 ( -1.162 -2.939 2.411) 3.975 3.186 ( -2.306 0.671 -9.443) 9.744 4.003 ( 5.510 1.405 4.284) 7.120 4.139 ( 3.547 -1.223 -9.326) 10.053 4.419 ( -1.392 0.839 -0.179) 1.635 4.428 ( -1.270 1.383 -1.376) 2.328 4.630 ( -2.521 0.132 2.687) 3.687 4.678 ( -1.488 0.503 -1.984) 2.531 4.801 ( 5.157 0.072 1.253) 5.308 4.836 ( 4.770 -1.887 -1.890) 5.466 4.946 ( 1.420 -1.296 1.628) 2.519 4.962 ( 0.324 -0.908 0.220) 0.989 5.166 ( -0.212 0.636 1.331) 1.490 5.190 ( -0.321 0.448 -0.973) 1.118 5.272 ( -2.488 0.325 6.345) 6.823 5.445 ( -5.595 1.185 -9.764) 11.316 6.449 ( -1.672 0.300 2.852) 3.320 6.453 ( -1.076 0.201 2.625) 2.844 ======================= Grid point 381 (121/147) ======================= q-point: (-0.62 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -4.443 -0.704 -0.797) 4.569 1.837 ( -3.988 -0.532 -1.960) 4.475 2.083 ( -1.411 -0.908 4.937) 5.214 2.138 ( -1.978 -1.070 -1.465) 2.684 2.251 ( -2.671 -0.096 2.375) 3.575 2.284 ( -3.920 -0.739 -1.057) 4.126 2.355 ( 1.354 0.406 6.037) 6.200 2.429 ( 0.265 5.165 -1.439) 5.368 2.521 ( 0.909 1.287 5.433) 5.657 2.657 ( 4.114 -1.508 -5.348) 6.914 2.942 ( 2.794 0.286 4.831) 5.588 3.007 ( 0.894 0.271 -1.912) 2.129 3.041 ( 3.138 -1.697 4.515) 5.754 3.187 ( 2.579 -1.167 -6.779) 7.346 3.990 ( -5.757 1.764 3.817) 7.129 4.129 ( -5.972 -2.120 -10.084) 11.910 4.392 ( -0.401 0.150 -0.267) 0.505 4.401 ( -0.228 0.692 -1.247) 1.445 4.600 ( -0.062 -0.774 3.032) 3.130 4.656 ( 0.288 -0.012 -2.464) 2.480 4.851 ( 0.765 2.994 3.262) 4.493 4.918 ( 1.383 1.637 -3.079) 3.751 4.975 ( 0.646 -2.522 1.810) 3.170 5.008 ( 1.292 -2.027 -1.357) 2.760 5.155 ( -0.809 1.041 1.459) 1.967 5.164 ( -1.368 1.258 1.543) 2.416 5.235 ( -0.904 -1.381 2.390) 2.904 5.345 ( -3.128 -1.376 -7.001) 7.791 6.427 ( -0.583 -0.302 3.041) 3.111 6.439 ( -0.290 -0.168 2.023) 2.050 ======================= Grid point 382 (122/147) ======================= q-point: (-0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -7.203 -2.100 -0.353) 7.511 1.745 ( -6.577 -2.350 -2.611) 7.456 2.041 ( -4.371 0.153 5.356) 6.915 2.103 ( -4.577 -0.397 -1.857) 4.956 2.166 ( -4.613 -2.498 1.221) 5.386 2.180 ( -5.408 -1.722 -0.227) 5.680 2.367 ( -1.292 -0.512 2.013) 2.446 2.393 ( -1.897 0.161 -1.076) 2.187 2.585 ( 7.846 3.512 8.633) 12.182 2.739 ( 4.363 3.513 -4.094) 6.938 2.993 ( 4.247 2.817 2.615) 5.728 3.033 ( 2.210 -0.025 -2.181) 3.105 3.126 ( 3.582 -0.758 6.302) 7.288 3.265 ( 2.796 -1.895 -4.484) 5.614 3.789 ( -13.120 0.641 3.933) 13.712 3.953 ( -11.870 -1.101 -12.311) 17.136 4.406 ( 1.235 -0.348 -0.313) 1.320 4.414 ( 1.392 0.264 -1.140) 1.818 4.626 ( 1.176 -1.955 2.820) 3.628 4.679 ( 1.102 -0.828 -2.266) 2.652 4.827 ( -0.996 2.181 3.662) 4.377 4.902 ( -1.079 1.253 -3.234) 3.632 4.960 ( -3.766 2.572 0.810) 4.632 4.973 ( -2.321 1.152 -0.185) 2.598 5.124 ( -0.939 -0.008 1.221) 1.540 5.148 ( -0.716 -0.739 -0.095) 1.034 5.244 ( 0.534 -2.130 3.898) 4.474 5.369 ( 1.940 -5.261 -7.366) 9.257 6.431 ( 0.592 -1.185 3.113) 3.384 6.444 ( 0.549 -0.757 1.976) 2.186 ======================= Grid point 383 (123/147) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -10.366 -1.323 0.310) 10.454 1.607 ( -9.128 -2.608 -3.908) 10.266 1.891 ( -9.469 3.658 4.605) 11.146 1.928 ( -10.360 2.624 -0.410) 10.696 2.101 ( -4.204 -3.912 3.225) 6.586 2.154 ( -2.621 -4.693 -1.952) 5.718 2.315 ( -3.731 -2.325 2.029) 4.842 2.363 ( -2.419 -1.630 -2.877) 4.097 2.762 ( 11.237 2.465 5.736) 12.855 2.789 ( 4.190 5.342 2.670) 7.296 3.039 ( 1.150 2.408 2.472) 3.638 3.126 ( 6.091 -2.223 -2.291) 6.877 3.158 ( -1.030 -1.104 5.299) 5.510 3.245 ( -6.987 -0.237 -0.780) 7.035 3.519 ( -12.913 0.064 4.038) 13.530 3.746 ( -7.712 1.399 -17.512) 19.186 4.414 ( -1.305 0.070 -0.021) 1.307 4.429 ( -0.373 0.540 -1.375) 1.524 4.632 ( -2.192 -1.504 2.561) 3.692 4.675 ( -1.774 0.926 -1.375) 2.428 4.804 ( -1.383 -0.488 3.494) 3.790 4.872 ( -1.794 1.386 -0.921) 2.447 4.895 ( 0.311 1.253 -0.243) 1.313 4.925 ( -0.814 1.885 -0.977) 2.273 5.124 ( 0.157 -2.010 1.502) 2.514 5.159 ( 1.302 -2.309 -0.858) 2.786 5.271 ( 1.509 -0.963 5.214) 5.513 5.437 ( 1.490 -5.283 -9.979) 11.389 6.464 ( 1.742 -2.134 3.030) 4.095 6.469 ( 1.367 -1.410 2.497) 3.177 ======================= Grid point 384 (124/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -11.817 1.212 2.456) 12.130 1.432 ( -9.797 -1.111 -5.928) 11.504 1.654 ( -11.387 5.697 4.858) 13.627 1.702 ( -10.535 4.579 -0.851) 11.519 2.035 ( -5.493 -4.584 4.196) 8.294 2.109 ( -4.175 -4.788 -2.775) 6.932 2.247 ( -5.135 -1.397 2.165) 5.745 2.311 ( -4.252 -1.855 -3.750) 5.965 2.805 ( -3.099 2.863 6.723) 7.937 2.902 ( -7.375 1.813 -1.276) 7.701 3.002 ( 3.896 -2.994 7.420) 8.900 3.047 ( -8.165 -0.835 2.337) 8.534 3.113 ( -2.039 -0.769 8.085) 8.374 3.235 ( 1.212 -2.830 -2.258) 3.818 3.406 ( 4.418 3.170 0.912) 5.513 3.659 ( -0.349 2.522 -21.305) 21.456 4.336 ( -6.504 -0.079 0.881) 6.563 4.367 ( -5.655 0.778 -2.137) 6.095 4.572 ( -4.924 -1.403 2.835) 5.852 4.618 ( -3.472 0.947 -1.556) 3.920 4.766 ( -1.516 1.372 2.914) 3.560 4.814 ( -3.618 1.123 -1.461) 4.060 4.910 ( 1.492 -0.798 2.489) 3.010 4.953 ( 1.922 -1.691 -1.355) 2.897 5.134 ( -0.887 -3.053 4.730) 5.699 5.230 ( 4.059 -2.751 -3.359) 5.944 5.339 ( 5.823 1.355 3.062) 6.717 5.491 ( 1.809 -2.400 -11.261) 11.655 6.514 ( 2.226 -1.937 3.519) 4.593 6.525 ( 2.945 -3.112 2.592) 5.007 ======================= Grid point 385 (125/147) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -9.942 4.936 5.694) 12.475 1.243 ( -8.835 4.132 -5.748) 11.321 1.410 ( -10.318 3.809 2.615) 11.305 1.477 ( -9.110 5.634 -3.093) 11.149 1.955 ( -5.096 -4.467 5.117) 8.492 2.057 ( -4.674 -3.777 -4.485) 7.498 2.127 ( -7.847 -2.470 5.037) 9.646 2.207 ( -7.336 -0.443 -2.643) 7.810 2.563 ( -13.281 4.916 6.630) 15.636 2.646 ( -14.824 -3.199 0.735) 15.183 3.038 ( 2.826 -2.286 4.849) 6.060 3.072 ( -2.543 -3.120 10.723) 11.453 3.139 ( 5.400 -0.674 -2.705) 6.078 3.275 ( 2.472 1.876 -2.350) 3.892 3.537 ( 8.173 -0.454 -0.248) 8.189 3.709 ( 6.071 0.061 -17.153) 18.195 4.189 ( -8.324 -0.773 1.242) 8.452 4.224 ( -8.086 0.166 -2.194) 8.380 4.441 ( -9.160 -0.847 3.730) 9.927 4.513 ( -7.335 -0.380 -3.132) 7.985 4.734 ( -1.810 1.185 1.296) 2.522 4.746 ( -1.988 1.715 0.144) 2.630 4.942 ( -0.267 -3.825 2.089) 4.366 4.975 ( -1.332 -3.925 -1.072) 4.281 5.145 ( 1.280 -0.612 7.184) 7.323 5.323 ( 3.606 -0.690 -8.180) 8.966 5.453 ( 6.101 2.172 1.041) 6.559 5.541 ( 3.766 2.739 -8.337) 9.549 6.576 ( 2.782 -2.358 4.854) 6.071 6.614 ( 3.979 -3.920 1.561) 5.800 ======================= Grid point 386 (126/147) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -4.716 7.916 9.097) 12.948 1.058 ( -4.734 10.315 2.662) 11.657 1.220 ( -7.858 0.239 -6.146) 9.979 1.300 ( -5.659 5.275 -7.552) 10.811 1.866 ( -7.023 7.244 11.670) 15.426 1.934 ( -5.148 -5.860 4.610) 9.060 2.041 ( -4.660 -4.628 0.040) 6.568 2.052 ( -6.107 3.190 -2.277) 7.256 2.380 ( -4.054 0.223 0.626) 4.108 2.433 ( -8.963 -8.880 -0.783) 12.642 3.048 ( -0.010 0.100 12.180) 12.180 3.122 ( 2.040 -5.499 4.937) 7.667 3.229 ( 3.630 -0.243 -5.531) 6.620 3.295 ( 1.207 1.262 -7.629) 7.826 3.711 ( 8.025 -2.299 2.787) 8.801 3.847 ( 6.749 -0.809 -9.559) 11.729 4.046 ( -6.320 -0.869 -0.172) 6.382 4.075 ( -6.922 -0.784 -2.827) 7.518 4.258 ( -8.605 0.576 4.297) 9.636 4.353 ( -8.689 -0.246 -5.027) 10.042 4.671 ( -3.732 -0.554 2.115) 4.326 4.709 ( -1.892 -0.256 -1.447) 2.395 4.925 ( -2.302 -2.129 4.033) 5.108 4.986 ( -0.416 -4.243 -1.856) 4.650 5.177 ( 1.610 0.737 5.942) 6.200 5.355 ( 0.967 4.375 -11.485) 12.329 5.533 ( 3.351 1.873 1.714) 4.204 5.597 ( 3.744 5.292 -4.666) 7.987 6.642 ( 2.159 -2.496 6.311) 7.121 6.717 ( 3.534 -4.627 -0.445) 5.840 ======================= Grid point 387 (127/147) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -0.000 7.605 12.513) 14.643 0.960 ( -0.000 10.336 12.943) 16.564 1.129 ( -0.000 0.272 -15.389) 15.391 1.204 ( -0.000 5.438 -10.553) 11.871 1.709 ( -0.000 11.241 21.009) 23.827 1.929 ( 0.000 -2.427 3.535) 4.288 1.965 ( 0.000 -0.985 -3.966) 4.087 2.007 ( -0.000 0.372 -3.993) 4.011 2.343 ( 0.000 -1.988 2.367) 3.091 2.441 ( 0.000 -15.368 -3.465) 15.754 3.051 ( -0.000 0.601 10.573) 10.590 3.167 ( 0.000 -1.273 4.879) 5.042 3.256 ( -0.000 2.397 -6.200) 6.647 3.336 ( 0.000 -8.450 -6.435) 10.621 3.816 ( -0.000 0.358 5.129) 5.141 3.929 ( 0.000 -1.552 2.352) 2.818 3.983 ( 0.000 -1.137 -2.762) 2.987 4.003 ( -0.000 0.209 -13.431) 13.433 4.156 ( -0.000 1.482 3.770) 4.050 4.236 ( -0.000 1.475 -3.983) 4.247 4.631 ( 0.000 -1.222 3.474) 3.682 4.692 ( 0.000 -1.420 -2.442) 2.824 4.907 ( 0.000 -0.699 5.500) 5.544 5.001 ( 0.000 -2.736 -3.379) 4.348 5.189 ( -0.000 0.689 4.568) 4.619 5.326 ( -0.000 6.916 -9.561) 11.801 5.556 ( -0.000 1.497 1.484) 2.108 5.604 ( -0.000 5.004 -3.088) 5.880 6.679 ( 0.000 -2.288 7.266) 7.618 6.784 ( 0.000 -4.849 -2.532) 5.470 ======================= Grid point 392 (128/147) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.324 -0.000 -1.597) 1.630 1.882 ( 0.386 0.000 -2.146) 2.180 2.111 ( -1.527 -0.000 7.905) 8.051 2.182 ( -1.258 -0.000 -1.608) 2.042 2.263 ( 2.995 0.000 7.041) 7.651 2.278 ( 0.033 0.000 1.741) 1.742 2.338 ( 1.517 0.000 -0.036) 1.517 2.480 ( 3.761 0.000 -6.996) 7.943 2.544 ( -1.587 -0.000 0.574) 1.688 2.562 ( -0.885 -0.000 -0.298) 0.934 2.886 ( -1.129 -0.000 10.561) 10.622 2.982 ( 0.005 0.000 -1.293) 1.293 3.005 ( 0.225 0.000 3.128) 3.137 3.190 ( -2.614 -0.000 -10.117) 10.449 4.012 ( 5.713 0.000 3.208) 6.552 4.131 ( 3.040 0.000 -8.686) 9.203 4.424 ( -1.571 -0.000 0.064) 1.573 4.437 ( -1.477 -0.000 -1.612) 2.186 4.631 ( -2.552 -0.000 2.904) 3.866 4.681 ( -1.215 -0.000 -2.001) 2.341 4.802 ( 6.715 0.000 0.412) 6.727 4.823 ( 5.047 0.000 -1.421) 5.243 4.939 ( 0.316 0.000 1.866) 1.893 4.956 ( -0.036 -0.000 0.324) 0.326 5.170 ( -0.312 -0.000 1.237) 1.276 5.192 ( -0.144 -0.000 -1.137) 1.146 5.274 ( -2.717 -0.000 6.692) 7.223 5.452 ( -5.880 -0.000 -10.001) 11.601 6.451 ( -1.838 -0.000 2.841) 3.384 6.454 ( -1.167 -0.000 2.668) 2.912 ======================= Grid point 393 (129/147) ======================= q-point: ( 0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -4.998 -0.235 -0.646) 5.045 1.833 ( -4.758 -0.109 -2.086) 5.196 2.075 ( -1.565 -0.391 4.827) 5.090 2.129 ( -2.622 -0.419 -1.463) 3.031 2.252 ( -3.664 0.077 1.434) 3.935 2.277 ( -3.432 -0.360 -0.461) 3.481 2.358 ( 1.466 0.143 7.677) 7.817 2.471 ( -2.853 1.513 -1.784) 3.689 2.553 ( 2.468 3.584 1.879) 4.739 2.626 ( 5.813 -3.123 -4.757) 8.135 2.944 ( 5.857 0.074 7.588) 9.586 3.013 ( 1.885 0.688 -0.335) 2.034 3.024 ( 2.536 -1.101 3.113) 4.164 3.173 ( 1.066 -0.758 -6.537) 6.667 4.009 ( -5.864 1.096 1.314) 6.109 4.107 ( -5.791 -1.193 -8.917) 10.699 4.393 ( -0.838 0.053 0.011) 0.840 4.408 ( -0.684 0.346 -1.595) 1.770 4.593 ( -0.583 -0.306 3.462) 3.525 4.656 ( -0.198 0.035 -2.730) 2.737 4.891 ( 1.066 3.397 2.562) 4.387 4.939 ( 0.791 -3.284 2.224) 4.044 4.942 ( 2.550 2.457 -2.343) 4.247 4.977 ( 2.529 -2.907 -1.556) 4.156 5.163 ( -0.043 0.320 1.916) 1.943 5.186 ( -0.785 1.801 0.143) 1.970 5.217 ( -2.355 -1.550 3.177) 4.248 5.335 ( -5.362 -0.431 -6.967) 8.802 6.425 ( -0.875 -0.102 3.066) 3.191 6.438 ( -0.485 -0.056 1.949) 2.009 ======================= Grid point 394 (130/147) ======================= q-point: (-0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -7.366 -1.183 -0.437) 7.473 1.722 ( -7.080 -1.447 -2.322) 7.590 2.045 ( -2.402 0.483 4.812) 5.400 2.092 ( -1.910 -1.274 -0.768) 2.421 2.148 ( -6.753 -0.713 0.777) 6.835 2.165 ( -7.257 -0.815 -0.811) 7.348 2.360 ( -1.852 -0.581 2.437) 3.116 2.387 ( -4.744 -0.823 -0.632) 4.856 2.635 ( 8.399 4.127 6.622) 11.464 2.771 ( 7.753 1.609 -4.420) 9.068 3.009 ( 1.717 0.453 2.477) 3.047 3.051 ( 2.740 2.373 -1.315) 3.856 3.121 ( 5.355 -0.036 6.455) 8.387 3.230 ( 2.171 -3.540 -1.956) 4.590 3.797 ( -14.199 0.616 2.161) 14.375 3.942 ( -10.725 -0.767 -12.318) 16.351 4.402 ( 1.324 -0.194 0.020) 1.338 4.419 ( 1.585 0.354 -1.550) 2.245 4.605 ( 0.656 -1.424 3.434) 3.774 4.669 ( 0.892 -0.647 -2.820) 3.027 4.858 ( -1.672 2.850 3.105) 4.535 4.909 ( -2.032 -0.328 -1.023) 2.299 4.974 ( -0.742 0.512 -0.284) 0.945 4.989 ( -2.028 0.727 -0.968) 2.362 5.127 ( -2.281 0.663 1.510) 2.815 5.156 ( -1.311 1.875 -0.372) 2.318 5.217 ( 0.696 -2.320 2.649) 3.590 5.310 ( 1.107 -4.271 -5.578) 7.112 6.420 ( 0.246 -0.639 3.175) 3.248 6.437 ( 0.307 -0.415 1.699) 1.775 ======================= Grid point 395 (131/147) ======================= q-point: (-0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -8.882 -0.641 -0.388) 8.913 1.578 ( -8.742 -2.062 -2.894) 9.437 1.939 ( -7.181 4.143 3.377) 8.951 1.957 ( -9.914 2.091 0.150) 10.133 2.057 ( -4.956 -3.235 2.908) 6.594 2.100 ( -1.962 -4.091 -0.978) 4.642 2.284 ( -4.948 -2.554 2.459) 6.087 2.337 ( -2.931 -2.517 -2.922) 4.844 2.803 ( 10.807 3.996 6.753) 13.355 2.865 ( 4.003 6.948 1.887) 8.238 3.069 ( 0.390 1.788 -0.877) 2.030 3.082 ( 4.443 -3.811 -1.729) 6.104 3.150 ( -3.725 -0.879 6.254) 7.333 3.233 ( -5.375 -1.538 -1.471) 5.781 3.516 ( -11.810 -0.382 5.655) 13.099 3.761 ( -6.443 1.044 -17.463) 18.643 4.417 ( -0.890 0.264 0.387) 1.006 4.438 ( -0.034 0.950 -1.599) 1.860 4.606 ( -2.305 -2.508 3.640) 4.986 4.674 ( -1.380 -0.737 -2.910) 3.304 4.809 ( -1.758 1.366 3.410) 4.073 4.872 ( -2.388 -0.789 -2.245) 3.371 4.930 ( -0.382 3.141 1.535) 3.517 4.955 ( -0.219 3.124 -0.506) 3.172 5.098 ( -1.436 -2.386 1.496) 3.161 5.136 ( 0.177 -1.361 -1.885) 2.332 5.261 ( 3.008 -0.529 3.226) 4.442 5.372 ( 2.089 -5.245 -7.164) 9.121 6.442 ( 1.392 -1.428 3.174) 3.749 6.455 ( 1.134 -0.944 2.012) 2.495 ======================= Grid point 396 (132/147) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -9.111 2.705 0.751) 9.534 1.417 ( -8.644 -1.187 -3.831) 9.529 1.726 ( -10.658 5.129 3.642) 12.376 1.759 ( -8.941 4.817 0.029) 10.156 1.982 ( -5.386 -3.765 4.606) 8.025 2.057 ( -4.385 -3.268 -2.484) 6.007 2.218 ( -4.623 -3.590 2.491) 6.362 2.280 ( -4.899 -3.133 -3.839) 6.968 2.840 ( -5.634 2.842 5.216) 8.187 2.911 ( -13.864 -0.216 0.214) 13.867 2.984 ( 5.731 -0.002 4.430) 7.243 3.041 ( -6.210 -0.248 2.405) 6.664 3.103 ( -1.729 -0.956 6.598) 6.887 3.201 ( 4.226 -2.797 -1.370) 5.250 3.440 ( 3.193 2.475 2.365) 4.681 3.687 ( -0.899 1.958 -20.208) 20.322 4.336 ( -6.951 0.113 1.588) 7.131 4.378 ( -5.848 0.937 -2.395) 6.389 4.551 ( -4.716 -1.897 3.656) 6.261 4.623 ( -4.203 -0.153 -3.120) 5.237 4.778 ( -0.833 0.684 2.675) 2.884 4.821 ( -2.810 -0.095 -1.253) 3.078 4.919 ( -1.173 2.049 2.179) 3.213 4.946 ( 0.781 0.630 -0.061) 1.005 5.095 ( -0.507 -3.502 4.092) 5.410 5.194 ( 4.394 -3.096 -4.167) 6.801 5.354 ( 6.740 1.254 1.561) 7.031 5.459 ( 4.471 -2.757 -8.424) 9.927 6.492 ( 2.377 -2.183 2.973) 4.388 6.493 ( 2.222 -1.692 2.829) 3.976 ======================= Grid point 397 (133/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -6.979 6.730 2.959) 10.137 1.267 ( -6.696 0.848 -5.444) 8.672 1.488 ( -9.881 7.641 4.815) 13.386 1.552 ( -8.543 6.623 -1.992) 10.991 1.893 ( -5.987 -5.067 5.315) 9.474 1.999 ( -4.084 -5.385 -3.903) 7.805 2.107 ( -8.622 -1.399 2.909) 9.207 2.180 ( -7.294 -4.130 -3.060) 8.924 2.608 ( -15.495 0.669 3.735) 15.953 2.617 ( -12.237 0.040 2.537) 12.497 2.994 ( -0.344 -3.266 4.803) 5.818 3.058 ( -0.068 -0.706 5.730) 5.774 3.138 ( 4.232 0.849 4.726) 6.401 3.300 ( 5.889 1.724 -0.466) 6.154 3.529 ( 5.225 -0.584 -1.858) 5.576 3.710 ( 4.553 0.150 -18.537) 19.088 4.177 ( -8.977 -1.062 2.052) 9.270 4.224 ( -8.832 -0.066 -2.499) 9.179 4.433 ( -8.206 -0.590 3.649) 9.000 4.508 ( -7.602 -0.341 -3.531) 8.389 4.746 ( -3.260 0.798 1.589) 3.713 4.765 ( -2.214 1.404 -0.215) 2.630 4.900 ( -0.867 -3.130 1.706) 3.669 4.930 ( -2.476 -3.482 -1.134) 4.421 5.135 ( 2.818 -0.960 7.759) 8.311 5.313 ( 5.643 -0.931 -7.511) 9.441 5.479 ( 6.392 2.123 0.650) 6.767 5.571 ( 6.511 2.195 -7.742) 10.351 6.549 ( 2.581 -2.141 4.068) 5.272 6.570 ( 3.592 -3.335 2.273) 5.403 ======================= Grid point 398 (134/147) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -3.248 9.509 5.110) 11.274 1.154 ( -3.057 4.496 -5.479) 7.719 1.260 ( -8.344 7.336 3.553) 11.665 1.371 ( -5.680 6.230 -5.699) 10.176 1.840 ( -3.280 -8.644 6.379) 11.232 1.927 ( -6.090 1.526 3.627) 7.250 1.975 ( -4.204 -6.044 0.829) 7.409 2.069 ( -5.600 -1.371 -4.147) 7.102 2.341 ( -10.481 -0.707 7.547) 12.935 2.429 ( -6.041 3.281 -1.594) 7.057 3.002 ( -1.219 -6.383 9.672) 11.652 3.093 ( 2.487 -0.280 7.576) 7.979 3.202 ( 2.132 -1.981 -4.063) 4.998 3.365 ( 3.303 7.446 -8.795) 11.987 3.664 ( 6.952 -5.110 2.911) 9.105 3.833 ( 6.172 -1.612 -11.188) 12.878 4.028 ( -6.647 -2.108 0.185) 6.976 4.062 ( -7.909 -1.324 -2.443) 8.383 4.267 ( -7.613 0.959 3.843) 8.582 4.353 ( -7.750 0.145 -4.444) 8.936 4.662 ( -4.659 -0.972 2.368) 5.315 4.703 ( -3.471 -0.696 -1.677) 3.917 4.900 ( -0.723 -2.066 2.351) 3.212 4.933 ( -0.093 -4.429 -1.054) 4.553 5.187 ( 2.107 0.858 8.094) 8.408 5.396 ( 2.992 2.348 -11.191) 11.819 5.562 ( 3.595 2.936 2.417) 5.234 5.662 ( 4.574 5.356 -6.732) 9.743 6.611 ( 2.032 -2.600 5.440) 6.363 6.662 ( 3.108 -4.375 0.868) 5.437 ======================= Grid point 399 (135/147) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -0.000 9.975 7.117) 12.254 1.090 ( -0.000 11.021 9.285) 14.411 1.135 ( -0.000 0.915 -11.678) 11.714 1.274 ( -0.000 5.943 -8.330) 10.233 1.817 ( -0.000 2.583 13.242) 13.491 1.901 ( 0.000 -2.081 5.083) 5.492 1.930 ( 0.000 -2.600 1.745) 3.132 2.009 ( -0.000 0.020 -5.290) 5.290 2.273 ( 0.000 -10.629 4.706) 11.625 2.351 ( -0.000 2.926 -3.604) 4.642 3.029 ( 0.000 -5.420 11.274) 12.509 3.127 ( 0.000 -1.855 6.899) 7.144 3.244 ( 0.000 -4.410 -6.630) 7.963 3.349 ( -0.000 8.356 -10.966) 13.787 3.792 ( 0.000 -4.509 5.480) 7.097 3.909 ( 0.000 -1.735 2.652) 3.170 3.968 ( 0.000 -1.257 -3.005) 3.258 3.984 ( 0.000 -3.115 -12.637) 13.015 4.175 ( -0.000 1.703 3.723) 4.094 4.254 ( -0.000 1.552 -3.980) 4.272 4.615 ( 0.000 -1.476 3.392) 3.699 4.673 ( 0.000 -1.795 -2.251) 2.879 4.900 ( 0.000 -0.656 3.699) 3.757 4.958 ( 0.000 -4.078 -1.955) 4.523 5.201 ( -0.000 1.242 7.171) 7.278 5.400 ( -0.000 5.060 -12.185) 13.194 5.580 ( -0.000 2.661 3.105) 4.089 5.672 ( -0.000 6.151 -5.716) 8.396 6.648 ( 0.000 -2.739 6.360) 6.925 6.724 ( 0.000 -5.033 -0.553) 5.063 ======================= Grid point 406 (136/147) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -7.475 -0.000 -0.496) 7.491 1.713 ( -7.285 -0.000 -2.199) 7.610 2.049 ( -1.048 -0.000 4.643) 4.760 2.082 ( -2.117 -0.000 0.021) 2.117 2.144 ( -6.899 -0.000 0.419) 6.912 2.160 ( -7.937 -0.000 -1.185) 8.025 2.356 ( -1.787 -0.000 2.460) 3.040 2.381 ( -5.951 -0.000 -0.429) 5.967 2.664 ( 8.199 0.000 5.398) 9.817 2.779 ( 9.512 0.000 -3.837) 10.257 3.013 ( 0.615 0.000 3.289) 3.346 3.068 ( 1.942 0.000 -2.155) 2.901 3.124 ( 7.957 0.000 5.877) 9.892 3.201 ( 0.952 0.000 -0.225) 0.978 3.801 ( -14.827 -0.000 1.469) 14.900 3.937 ( -10.126 -0.000 -12.336) 15.960 4.401 ( 1.376 0.000 0.177) 1.387 4.421 ( 1.686 0.000 -1.760) 2.437 4.596 ( 0.359 0.000 3.689) 3.706 4.665 ( 0.724 0.000 -3.042) 3.127 4.888 ( -1.916 -0.000 1.746) 2.592 4.894 ( -2.409 -0.000 1.822) 3.020 4.981 ( -0.704 -0.000 -1.350) 1.522 4.988 ( -0.380 -0.000 -1.586) 1.631 5.135 ( -3.283 -0.000 1.987) 3.838 5.176 ( -2.672 -0.000 -1.881) 3.268 5.196 ( 2.281 0.000 3.241) 3.964 5.281 ( 0.622 0.000 -4.808) 4.849 6.416 ( 0.125 0.000 3.193) 3.196 6.435 ( 0.220 0.000 1.602) 1.617 ======================= Grid point 408 (137/147) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -7.604 -0.120 -1.002) 7.671 1.561 ( -8.412 -0.763 -2.204) 8.729 1.973 ( -9.897 0.800 0.668) 9.951 1.983 ( -7.946 2.250 0.419) 8.269 2.032 ( -3.210 -0.361 4.065) 5.192 2.058 ( -1.252 -2.937 1.301) 3.448 2.262 ( -6.271 -0.936 1.904) 6.620 2.311 ( -3.111 -1.371 -3.044) 4.563 2.843 ( 10.254 2.098 7.243) 12.728 2.945 ( 6.256 5.744 0.070) 8.493 3.027 ( 2.046 -4.266 2.180) 5.209 3.088 ( 0.336 0.385 -2.948) 2.992 3.143 ( -7.321 -0.037 4.407) 8.545 3.214 ( -3.727 -1.322 -1.786) 4.339 3.512 ( -10.832 -0.198 6.917) 12.854 3.770 ( -5.901 0.372 -17.389) 18.367 4.419 ( -0.524 0.154 0.744) 0.923 4.448 ( 0.271 0.596 -2.018) 2.122 4.581 ( -2.501 -1.286 4.409) 5.230 4.665 ( -1.363 -0.533 -3.645) 3.928 4.832 ( -2.372 2.115 2.148) 3.836 4.857 ( -2.551 -1.648 0.032) 3.037 4.955 ( -0.307 1.059 1.439) 1.813 4.993 ( 1.832 2.308 -1.686) 3.395 5.072 ( -3.353 -1.514 2.322) 4.350 5.126 ( -2.004 -0.475 -2.759) 3.443 5.262 ( 4.695 0.648 0.956) 4.835 5.319 ( 2.288 -3.136 -4.388) 5.858 6.431 ( 1.214 -0.494 3.236) 3.491 6.447 ( 1.011 -0.333 1.747) 2.046 ======================= Grid point 409 (138/147) ======================= q-point: (-0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -7.340 0.734 -1.231) 7.478 1.411 ( -6.618 1.690 -1.725) 7.045 1.759 ( -11.000 0.746 2.755) 11.364 1.806 ( -8.730 1.913 -1.671) 9.092 1.965 ( -3.622 1.889 6.317) 7.523 2.037 ( -3.160 -0.624 -0.745) 3.306 2.163 ( -5.488 -5.142 3.716) 8.389 2.244 ( -5.653 -2.697 -5.105) 8.080 2.870 ( -11.170 2.135 3.370) 11.861 2.903 ( -17.039 -0.842 1.445) 17.121 2.995 ( 1.458 1.303 2.340) 3.050 3.041 ( 1.210 0.275 5.651) 5.786 3.089 ( -1.014 -1.339 2.390) 2.921 3.172 ( 6.889 -1.999 -0.606) 7.199 3.464 ( 2.345 1.452 3.431) 4.402 3.705 ( -1.018 1.027 -19.236) 19.290 4.339 ( -7.512 0.192 2.203) 7.831 4.389 ( -6.240 0.802 -2.651) 6.827 4.530 ( -3.893 -1.475 4.088) 5.835 4.617 ( -4.087 -0.597 -4.150) 5.855 4.787 ( -0.994 0.847 1.884) 2.292 4.813 ( -2.311 -1.017 -0.636) 2.604 4.948 ( -4.346 2.311 2.202) 5.392 4.967 ( -0.187 2.783 1.291) 3.074 5.051 ( -0.188 -3.737 3.429) 5.075 5.160 ( 5.481 -2.403 -5.136) 7.886 5.370 ( 6.953 1.354 -0.325) 7.091 5.427 ( 7.081 -2.472 -5.560) 9.336 6.470 ( 2.344 -1.231 3.172) 4.131 6.479 ( 1.881 -0.836 2.379) 3.146 ======================= Grid point 410 (139/147) ======================= q-point: (-0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -5.201 5.258 -0.088) 7.396 1.282 ( -4.961 2.977 -1.768) 6.050 1.555 ( -8.855 2.795 4.483) 10.311 1.625 ( -8.112 4.705 -2.415) 9.683 1.856 ( -7.244 -0.056 5.559) 9.132 1.947 ( -5.851 -2.525 -2.017) 6.684 2.085 ( -7.575 -2.329 -0.270) 7.929 2.112 ( -8.557 -7.066 -1.360) 11.181 2.589 ( -13.301 -1.565 3.932) 13.958 2.635 ( -10.854 0.823 -0.423) 10.893 2.970 ( -1.855 -0.946 4.629) 5.076 3.048 ( -0.540 -0.854 0.431) 1.098 3.157 ( 4.361 2.014 12.790) 13.662 3.311 ( 7.612 0.181 2.451) 7.999 3.525 ( 3.605 -0.141 -3.412) 4.966 3.713 ( 2.889 0.419 -20.411) 20.619 4.165 ( -9.783 -0.965 2.770) 10.213 4.223 ( -9.636 -0.082 -2.910) 10.066 4.427 ( -7.246 -0.414 3.511) 8.063 4.505 ( -7.482 -0.218 -3.844) 8.414 4.753 ( -4.040 0.405 1.793) 4.438 4.778 ( -2.252 0.794 -0.640) 2.472 4.869 ( -2.136 -2.069 1.275) 3.236 4.895 ( -4.034 -2.221 -1.119) 4.739 5.124 ( 4.376 -0.898 8.320) 9.443 5.302 ( 7.053 -0.785 -6.905) 9.902 5.501 ( 6.913 1.534 0.197) 7.084 5.593 ( 8.765 1.376 -7.066) 11.342 6.527 ( 2.444 -1.453 3.488) 4.500 6.537 ( 3.228 -2.206 2.706) 4.754 ======================= Grid point 411 (140/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -2.611 8.369 1.715) 8.933 1.190 ( -2.511 3.105 -3.298) 5.179 1.363 ( -8.008 8.117 4.145) 12.132 1.442 ( -6.647 5.413 -3.796) 9.375 1.733 ( -6.138 -8.455 6.353) 12.228 1.873 ( -4.757 -9.182 -5.965) 11.938 1.934 ( -6.101 -1.687 5.546) 8.416 2.037 ( -3.442 -2.484 -3.512) 5.509 2.379 ( -8.263 4.840 8.053) 12.512 2.472 ( -4.700 3.655 -1.677) 6.186 2.940 ( -1.739 -3.264 8.677) 9.433 3.075 ( 1.466 -2.888 0.824) 3.342 3.203 ( 2.041 2.038 7.369) 7.914 3.444 ( 5.888 4.819 -3.855) 8.529 3.602 ( 4.214 -4.378 -0.593) 6.105 3.810 ( 5.495 -2.074 -15.250) 16.342 3.999 ( -7.645 -2.507 1.139) 8.126 4.046 ( -8.374 -1.175 -2.698) 8.876 4.279 ( -6.831 0.939 3.402) 7.689 4.356 ( -7.022 0.300 -3.973) 8.074 4.650 ( -5.342 -0.852 2.491) 5.956 4.693 ( -4.796 -0.819 -1.718) 5.160 4.875 ( 0.315 -2.245 0.565) 2.336 4.884 ( -0.030 -3.489 -0.517) 3.528 5.197 ( 2.737 0.671 9.512) 9.921 5.414 ( 4.095 0.873 -9.556) 10.433 5.598 ( 4.148 2.989 2.133) 5.540 5.720 ( 5.502 4.201 -7.797) 10.427 6.582 ( 1.895 -2.079 4.677) 5.458 6.615 ( 2.747 -3.403 1.765) 4.716 ======================= Grid point 412 (141/147) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -0.000 9.996 2.865) 10.399 1.152 ( -0.000 2.067 -6.406) 6.731 1.213 ( -0.000 9.239 6.068) 11.053 1.340 ( -0.000 4.951 -6.153) 7.898 1.739 ( 0.000 -11.124 8.305) 13.882 1.881 ( 0.000 -1.212 6.195) 6.313 1.887 ( 0.000 -8.533 -4.693) 9.738 2.009 ( 0.000 -0.105 -6.045) 6.046 2.247 ( -0.000 6.141 13.022) 14.398 2.400 ( -0.000 4.728 -3.634) 5.963 2.952 ( 0.000 -5.819 9.919) 11.500 3.110 ( 0.000 -2.420 2.809) 3.708 3.216 ( -0.000 0.256 1.516) 1.538 3.455 ( -0.000 8.856 -11.144) 14.234 3.714 ( 0.000 -8.155 5.575) 9.878 3.889 ( 0.000 -1.543 2.926) 3.308 3.937 ( 0.000 -4.469 -14.467) 15.141 3.953 ( 0.000 -1.151 -3.244) 3.442 4.195 ( -0.000 1.648 3.569) 3.931 4.271 ( -0.000 1.220 -3.820) 4.010 4.598 ( 0.000 -1.356 3.214) 3.488 4.651 ( 0.000 -1.811 -1.999) 2.697 4.889 ( 0.000 -1.320 1.143) 1.746 4.908 ( 0.000 -4.059 -0.873) 4.152 5.217 ( -0.000 1.300 9.292) 9.383 5.443 ( -0.000 2.367 -11.448) 11.690 5.619 ( -0.000 3.626 3.396) 4.968 5.744 ( -0.000 5.639 -7.575) 9.443 6.616 ( 0.000 -2.539 5.490) 6.049 6.668 ( 0.000 -4.300 0.814) 4.377 ======================= Grid point 421 (142/147) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -7.162 -0.000 -0.552) 7.183 1.429 ( -4.989 -0.000 -2.495) 5.578 1.760 ( -11.290 -0.000 2.557) 11.576 1.811 ( -9.390 -0.000 -2.283) 9.663 2.010 ( -2.032 -0.000 3.446) 4.000 2.016 ( -0.866 -0.000 4.638) 4.718 2.124 ( -7.960 -0.000 3.673) 8.766 2.225 ( -5.985 -0.000 -6.293) 8.685 2.886 ( -14.520 -0.000 1.812) 14.633 2.895 ( -17.606 -0.000 2.037) 17.723 3.004 ( -2.025 -0.000 1.791) 2.703 3.045 ( 6.634 0.000 10.822) 12.693 3.078 ( -1.356 -0.000 -2.570) 2.906 3.158 ( 8.285 0.000 -0.405) 8.295 3.473 ( 2.059 0.000 3.805) 4.326 3.711 ( -1.010 -0.000 -18.835) 18.862 4.340 ( -7.790 -0.000 2.462) 8.169 4.394 ( -6.497 -0.000 -2.814) 7.081 4.520 ( -3.398 -0.000 4.268) 5.455 4.613 ( -3.877 -0.000 -4.461) 5.910 4.798 ( -1.331 -0.000 0.680) 1.494 4.801 ( -2.164 -0.000 0.470) 2.215 4.964 ( -6.142 -0.000 2.544) 6.648 5.005 ( -5.071 -0.000 -1.465) 5.278 5.008 ( 4.550 0.000 6.317) 7.785 5.144 ( 6.460 0.000 -5.756) 8.652 5.382 ( 5.734 0.000 -1.951) 6.057 5.408 ( 9.394 0.000 -3.562) 10.047 6.463 ( 2.275 0.000 3.226) 3.947 6.474 ( 1.820 0.000 2.228) 2.877 ======================= Grid point 423 (143/147) ======================= q-point: (-0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -4.668 0.784 1.675) 5.021 1.342 ( -3.451 3.605 -2.638) 5.645 1.565 ( -8.286 -0.138 3.950) 9.180 1.645 ( -7.629 -0.569 -3.447) 8.391 1.901 ( -9.896 6.113 4.257) 12.387 1.943 ( -7.092 1.649 1.758) 7.490 2.015 ( -6.543 -8.404 1.815) 10.805 2.059 ( -8.296 -1.723 -4.677) 9.678 2.576 ( -12.099 -0.605 3.932) 12.737 2.638 ( -9.626 0.021 -1.840) 9.801 2.965 ( -1.755 -0.071 3.883) 4.261 3.041 ( -2.027 -0.322 -1.391) 2.480 3.178 ( 5.443 1.067 16.849) 17.739 3.309 ( 7.170 -0.259 3.689) 8.068 3.524 ( 3.356 -0.013 -3.994) 5.217 3.718 ( 1.934 0.263 -21.572) 21.660 4.156 ( -10.348 -0.394 3.213) 10.842 4.223 ( -10.168 -0.013 -3.271) 10.681 4.423 ( -6.648 -0.168 3.462) 7.498 4.503 ( -7.269 -0.070 -4.040) 8.317 4.756 ( -4.163 0.114 1.841) 4.554 4.784 ( -1.800 0.173 -0.909) 2.024 4.852 ( -3.390 -0.721 1.070) 3.627 4.878 ( -5.573 -0.680 -1.167) 5.735 5.116 ( 5.431 -0.372 8.704) 10.266 5.295 ( 7.785 -0.304 -6.567) 10.189 5.514 ( 7.283 0.558 -0.099) 7.305 5.604 ( 10.038 0.463 -6.609) 12.027 6.516 ( 2.495 -0.417 3.141) 4.033 6.518 ( 2.879 -0.861 2.944) 4.207 ======================= Grid point 424 (144/147) ======================= q-point: (-0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -2.647 2.812 2.279) 4.484 1.252 ( -2.358 5.354 -0.609) 5.882 1.431 ( -6.254 3.263 3.327) 7.799 1.495 ( -7.727 3.185 -2.979) 8.873 1.661 ( -10.007 -2.668 2.909) 10.757 1.759 ( -8.371 -8.930 -5.343) 13.355 1.913 ( -4.201 -1.420 5.706) 7.227 2.018 ( -1.266 -0.959 -3.674) 4.002 2.422 ( -4.834 2.153 6.207) 8.157 2.512 ( -3.424 2.697 -2.329) 4.941 2.928 ( -1.637 1.007 6.635) 6.908 3.033 ( 0.144 -3.722 -1.588) 4.049 3.237 ( 2.358 3.146 17.280) 17.721 3.453 ( 6.630 -2.835 6.831) 9.933 3.588 ( 3.135 1.782 -9.451) 10.116 3.787 ( 4.389 -1.705 -21.175) 21.692 3.974 ( -8.398 -1.634 2.420) 8.891 4.035 ( -8.584 -0.678 -3.229) 9.196 4.288 ( -6.268 0.550 3.125) 7.026 4.359 ( -6.649 0.213 -3.652) 7.589 4.642 ( -5.775 -0.452 2.459) 6.293 4.685 ( -5.689 -0.536 -1.659) 5.950 4.845 ( 0.278 -2.109 0.119) 2.130 4.857 ( 0.469 -1.410 -0.921) 1.749 5.203 ( 3.219 0.343 10.206) 10.707 5.420 ( 4.629 0.266 -8.248) 9.462 5.628 ( 4.649 1.801 1.821) 5.308 5.759 ( 6.207 2.288 -8.187) 10.526 6.563 ( 1.796 -1.067 4.078) 4.582 6.582 ( 2.467 -1.948 2.364) 3.933 ======================= Grid point 425 (145/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -0.000 4.441 1.502) 4.688 1.198 ( -0.000 5.994 -1.341) 6.142 1.305 ( -0.000 5.899 3.713) 6.970 1.389 ( -0.000 3.106 -4.446) 5.423 1.611 ( 0.000 -8.904 6.080) 10.782 1.755 ( 0.000 -11.690 -6.389) 13.322 1.873 ( 0.000 -0.289 6.726) 6.732 2.007 ( 0.000 -0.103 -6.240) 6.241 2.342 ( -0.000 7.104 9.804) 12.108 2.456 ( -0.000 4.577 -2.464) 5.198 2.909 ( 0.000 -0.955 9.161) 9.210 3.066 ( 0.000 -4.611 -3.082) 5.546 3.241 ( -0.000 3.208 13.704) 14.075 3.542 ( -0.000 3.053 -1.262) 3.304 3.622 ( 0.000 -4.135 -3.339) 5.315 3.873 ( 0.000 -1.060 3.119) 3.294 3.881 ( 0.000 -4.783 -18.802) 19.401 3.941 ( 0.000 -0.821 -3.410) 3.507 4.213 ( -0.000 1.276 3.285) 3.524 4.283 ( -0.000 0.673 -3.471) 3.535 4.584 ( 0.000 -0.894 2.923) 3.056 4.631 ( 0.000 -1.398 -1.717) 2.214 4.864 ( 0.000 -2.940 -0.096) 2.942 4.872 ( 0.000 -1.565 -0.805) 1.760 5.230 ( -0.000 0.894 10.445) 10.483 5.462 ( -0.000 0.925 -9.655) 9.700 5.660 ( -0.000 2.941 2.912) 4.139 5.802 ( -0.000 3.883 -8.470) 9.317 6.590 ( 0.000 -1.708 4.744) 5.042 6.624 ( 0.000 -2.992 1.718) 3.450 ======================= Grid point 436 (146/147) ======================= q-point: (-0.54 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -2.135 -0.000 4.105) 4.628 1.284 ( -3.372 -0.000 0.721) 3.448 1.451 ( -5.121 -0.000 2.186) 5.569 1.512 ( -6.752 -0.000 -2.739) 7.286 1.674 ( -9.576 -0.000 -2.413) 9.875 1.676 ( -13.584 -0.000 -2.028) 13.734 1.904 ( -2.864 -0.000 6.007) 6.655 2.012 ( -0.575 -0.000 -3.886) 3.928 2.434 ( -3.790 -0.000 5.867) 6.985 2.529 ( -2.639 -0.000 -2.941) 3.951 2.944 ( -0.422 -0.000 3.805) 3.829 3.002 ( -1.370 -0.000 0.056) 1.371 3.261 ( 2.694 0.000 22.480) 22.641 3.426 ( 5.055 0.000 6.206) 8.004 3.605 ( 4.649 0.000 -8.642) 9.813 3.775 ( 3.519 0.000 -25.034) 25.280 3.963 ( -8.641 -0.000 3.068) 9.169 4.031 ( -8.662 -0.000 -3.484) 9.336 4.292 ( -6.046 -0.000 3.047) 6.771 4.361 ( -6.556 -0.000 -3.537) 7.449 4.640 ( -5.923 -0.000 2.415) 6.396 4.682 ( -6.015 -0.000 -1.622) 6.230 4.832 ( 0.243 0.000 0.188) 0.307 4.848 ( 0.621 0.000 -1.267) 1.411 5.205 ( 3.395 0.000 10.406) 10.946 5.422 ( 4.797 0.000 -7.803) 9.160 5.639 ( 4.837 0.000 1.731) 5.138 5.773 ( 6.469 0.000 -8.275) 10.504 6.557 ( 1.756 0.000 3.793) 4.180 6.570 ( 2.361 0.000 2.636) 3.539 ======================= Grid point 438 (147/147) ======================= q-point: (-0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 8.27e-07 8.27e-07 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -0.000 2.324 4.317) 4.903 1.249 ( -0.000 1.534 2.035) 2.548 1.352 ( -0.000 1.972 2.513) 3.195 1.414 ( -0.000 1.045 -3.533) 3.684 1.557 ( -0.000 0.571 0.135) 0.587 1.630 ( 0.000 -8.498 -5.409) 10.074 1.872 ( -0.000 0.049 6.812) 6.812 2.006 ( 0.000 -0.045 -6.148) 6.148 2.394 ( -0.000 1.879 7.544) 7.774 2.500 ( -0.000 2.182 -2.955) 3.674 2.928 ( -0.000 3.339 5.459) 6.399 3.007 ( 0.000 -4.678 -0.896) 4.763 3.279 ( -0.000 2.467 21.969) 22.107 3.497 ( 0.000 -4.460 7.796) 8.981 3.654 ( -0.000 3.822 -11.197) 11.831 3.830 ( 0.000 -3.053 -24.929) 25.115 3.864 ( 0.000 -0.378 3.215) 3.237 3.935 ( 0.000 -0.299 -3.489) 3.502 4.224 ( -0.000 0.503 3.022) 3.063 4.288 ( -0.000 0.184 -3.126) 3.131 4.577 ( 0.000 -0.292 2.653) 2.669 4.619 ( 0.000 -0.542 -1.504) 1.598 4.839 ( 0.000 -1.126 0.179) 1.140 4.858 ( 0.000 -0.663 -1.623) 1.753 5.238 ( -0.000 0.307 10.900) 10.905 5.469 ( -0.000 0.254 -8.647) 8.651 5.685 ( -0.000 1.096 2.684) 2.899 5.834 ( -0.000 1.382 -8.795) 8.903 6.577 ( 0.000 -0.542 4.211) 4.246 6.598 ( 0.000 -1.139 2.282) 2.551 =================== 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 3/25350 10.0 425.332 765.508 203.067 0.000 0.000 -0.000 3/25350 20.0 89.986 100.756 39.103 0.000 0.000 -0.000 3/25350 30.0 42.001 38.188 18.550 0.000 0.000 -0.000 3/25350 40.0 26.314 21.563 11.939 0.000 0.000 -0.000 3/25350 50.0 18.994 14.651 8.931 0.000 0.000 -0.000 3/25350 60.0 14.890 11.041 7.259 0.000 0.000 -0.000 3/25350 70.0 12.295 8.869 6.189 0.000 0.000 -0.000 3/25350 80.0 10.510 7.429 5.433 0.000 0.000 -0.000 3/25350 90.0 9.203 6.406 4.862 0.000 0.000 -0.000 3/25350 100.0 8.202 5.642 4.411 0.000 0.000 -0.000 3/25350 110.0 7.408 5.049 4.042 0.000 0.000 -0.000 3/25350 120.0 6.761 4.573 3.733 0.000 0.000 -0.000 3/25350 130.0 6.223 4.183 3.469 0.000 0.000 -0.000 3/25350 140.0 5.767 3.857 3.242 0.000 0.000 -0.000 3/25350 150.0 5.376 3.580 3.043 0.000 0.000 -0.000 3/25350 160.0 5.035 3.342 2.867 0.000 0.000 -0.000 3/25350 170.0 4.737 3.134 2.711 0.000 0.000 -0.000 3/25350 180.0 4.473 2.952 2.571 0.000 0.000 -0.000 3/25350 190.0 4.237 2.790 2.444 0.000 0.000 -0.000 3/25350 200.0 4.025 2.645 2.330 0.000 0.000 -0.000 3/25350 210.0 3.834 2.515 2.226 0.000 0.000 -0.000 3/25350 220.0 3.661 2.398 2.131 0.000 0.000 -0.000 3/25350 230.0 3.502 2.291 2.043 0.000 0.000 -0.000 3/25350 240.0 3.357 2.193 1.963 0.000 0.000 -0.000 3/25350 250.0 3.224 2.104 1.888 0.000 0.000 -0.000 3/25350 260.0 3.101 2.021 1.819 0.000 0.000 -0.000 3/25350 270.0 2.987 1.945 1.755 0.000 0.000 -0.000 3/25350 280.0 2.881 1.875 1.695 0.000 0.000 -0.000 3/25350 290.0 2.783 1.809 1.639 0.000 0.000 -0.000 3/25350 300.0 2.691 1.749 1.587 0.000 0.000 -0.000 3/25350 310.0 2.605 1.692 1.538 0.000 0.000 -0.000 3/25350 320.0 2.524 1.638 1.492 0.000 0.000 -0.000 3/25350 330.0 2.449 1.588 1.448 0.000 0.000 -0.000 3/25350 340.0 2.377 1.541 1.407 0.000 0.000 -0.000 3/25350 350.0 2.310 1.497 1.369 0.000 0.000 -0.000 3/25350 360.0 2.247 1.455 1.332 0.000 0.000 -0.000 3/25350 370.0 2.187 1.416 1.297 0.000 0.000 -0.000 3/25350 380.0 2.130 1.378 1.264 0.000 0.000 -0.000 3/25350 390.0 2.076 1.343 1.233 0.000 0.000 -0.000 3/25350 400.0 2.024 1.309 1.203 0.000 0.000 -0.000 3/25350 410.0 1.975 1.277 1.175 0.000 0.000 -0.000 3/25350 420.0 1.929 1.247 1.148 0.000 0.000 -0.000 3/25350 430.0 1.884 1.218 1.122 0.000 0.000 -0.000 3/25350 440.0 1.842 1.190 1.097 0.000 0.000 -0.000 3/25350 450.0 1.801 1.163 1.073 0.000 0.000 -0.000 3/25350 460.0 1.763 1.138 1.051 0.000 0.000 -0.000 3/25350 470.0 1.725 1.114 1.029 0.000 0.000 -0.000 3/25350 480.0 1.690 1.091 1.008 0.000 0.000 -0.000 3/25350 490.0 1.656 1.068 0.988 0.000 0.000 -0.000 3/25350 500.0 1.623 1.047 0.969 0.000 0.000 -0.000 3/25350 510.0 1.591 1.026 0.950 0.000 0.000 -0.000 3/25350 520.0 1.561 1.007 0.932 0.000 0.000 -0.000 3/25350 530.0 1.532 0.988 0.915 0.000 0.000 -0.000 3/25350 540.0 1.504 0.969 0.899 0.000 0.000 -0.000 3/25350 550.0 1.477 0.952 0.883 0.000 0.000 -0.000 3/25350 560.0 1.451 0.935 0.867 0.000 0.000 -0.000 3/25350 570.0 1.425 0.919 0.853 0.000 0.000 -0.000 3/25350 580.0 1.401 0.903 0.838 0.000 0.000 -0.000 3/25350 590.0 1.377 0.887 0.824 0.000 0.000 -0.000 3/25350 600.0 1.355 0.873 0.811 0.000 0.000 -0.000 3/25350 610.0 1.333 0.858 0.798 0.000 0.000 -0.000 3/25350 620.0 1.311 0.845 0.785 0.000 0.000 -0.000 3/25350 630.0 1.291 0.831 0.773 0.000 0.000 -0.000 3/25350 640.0 1.271 0.818 0.761 0.000 0.000 -0.000 3/25350 650.0 1.251 0.806 0.750 0.000 0.000 -0.000 3/25350 660.0 1.232 0.793 0.739 0.000 0.000 -0.000 3/25350 670.0 1.214 0.782 0.728 0.000 0.000 -0.000 3/25350 680.0 1.197 0.770 0.717 0.000 0.000 -0.000 3/25350 690.0 1.179 0.759 0.707 0.000 0.000 -0.000 3/25350 700.0 1.163 0.748 0.697 0.000 0.000 -0.000 3/25350 710.0 1.146 0.738 0.688 0.000 0.000 -0.000 3/25350 720.0 1.131 0.727 0.678 0.000 0.000 -0.000 3/25350 730.0 1.115 0.717 0.669 0.000 0.000 -0.000 3/25350 740.0 1.100 0.708 0.660 0.000 0.000 -0.000 3/25350 750.0 1.086 0.698 0.651 0.000 0.000 -0.000 3/25350 760.0 1.072 0.689 0.643 0.000 0.000 -0.000 3/25350 770.0 1.058 0.680 0.635 0.000 0.000 -0.000 3/25350 780.0 1.044 0.672 0.627 0.000 0.000 -0.000 3/25350 790.0 1.031 0.663 0.619 0.000 0.000 -0.000 3/25350 800.0 1.018 0.655 0.611 0.000 0.000 -0.000 3/25350 810.0 1.006 0.647 0.604 0.000 0.000 -0.000 3/25350 820.0 0.994 0.639 0.597 0.000 0.000 -0.000 3/25350 830.0 0.982 0.631 0.590 0.000 0.000 -0.000 3/25350 840.0 0.970 0.624 0.583 0.000 0.000 -0.000 3/25350 850.0 0.959 0.616 0.576 0.000 0.000 -0.000 3/25350 860.0 0.948 0.609 0.569 0.000 0.000 -0.000 3/25350 870.0 0.937 0.602 0.563 0.000 0.000 -0.000 3/25350 880.0 0.926 0.595 0.557 0.000 0.000 -0.000 3/25350 890.0 0.916 0.589 0.551 0.000 0.000 -0.000 3/25350 900.0 0.906 0.582 0.545 0.000 0.000 -0.000 3/25350 910.0 0.896 0.576 0.539 0.000 0.000 -0.000 3/25350 920.0 0.886 0.570 0.533 0.000 0.000 -0.000 3/25350 930.0 0.877 0.564 0.527 0.000 0.000 -0.000 3/25350 940.0 0.868 0.558 0.522 0.000 0.000 -0.000 3/25350 950.0 0.859 0.552 0.516 0.000 0.000 -0.000 3/25350 960.0 0.850 0.546 0.511 0.000 0.000 -0.000 3/25350 970.0 0.841 0.540 0.506 0.000 0.000 -0.000 3/25350 980.0 0.832 0.535 0.501 0.000 0.000 -0.000 3/25350 990.0 0.824 0.529 0.496 0.000 0.000 -0.000 3/25350 1000.0 0.816 0.524 0.491 0.000 0.000 -0.000 3/25350 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:16:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|