----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:04:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.281250130000000 3.281250130000000 5.086142210000000 b 3.281250130000000 -3.281250130000000 5.086142210000000 c 3.281250130000000 3.281250130000000 -5.086142210000000 Atomic positions (fractional): *1 Li 0.37433725302756 0.37433725302756 0.00000000000000 6.941 2 Li 0.12433725302756 0.62433725302756 0.50000000000000 6.941 3 Li 0.37566274697244 0.87566274697244 0.50000000000000 6.941 4 Li 0.62566274697244 0.62566274697244 0.00000000000000 6.941 *5 Li 0.22491892454604 0.22491892454604 0.44983784909209 6.941 6 Li 0.52508107545396 0.47491892454604 0.50000000000000 6.941 7 Li 0.97491892454604 0.02508107545396 0.50000000000000 6.941 8 Li 0.77508107545396 0.77508107545396 0.55016215090791 6.941 9 Li 0.52508107545396 0.02508107545396 0.05016215090791 6.941 10 Li 0.22491892454604 0.77508107545396 0.00000000000000 6.941 11 Li 0.77508107545396 0.22491892454604 0.00000000000000 6.941 12 Li 0.97491892454604 0.47491892454604 0.94983784909209 6.941 *13 B 0.14595714882420 0.14595714882420 0.00000000000000 10.811 14 B 0.89595714882420 0.39595714882420 0.50000000000000 10.811 15 B 0.60404285117580 0.10404285117580 0.50000000000000 10.811 16 B 0.85404285117580 0.85404285117580 0.00000000000000 10.811 *17 N 0.15113952176434 0.94624068272122 0.79510116095688 14.007 18 N 0.10603836080747 0.40113952176434 0.70489883904312 14.007 19 N 0.69624068272122 0.40113952176434 0.29510116095688 14.007 20 N 0.59886047823566 0.30375931727878 0.70489883904312 14.007 21 N 0.59886047823566 0.89396163919254 0.29510116095688 14.007 22 N 0.64396163919254 0.84886047823566 0.79510116095688 14.007 23 N 0.05375931727878 0.84886047823566 0.20489883904312 14.007 24 N 0.15113952176434 0.35603836080746 0.20489883904312 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.562500260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.562500260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.172284420000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.37433725302756 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.12433725302756 6.941 > 2 3 Li 0.50000000000000 0.00000000000000 0.37566274697244 6.941 > 3 4 Li 0.50000000000000 0.50000000000000 0.12566274697244 6.941 > 4 *5 Li 0.22491892454604 0.22491892454604 0.00000000000000 6.941 > 5 6 Li 0.22491892454604 0.27508107545396 0.25000000000000 6.941 > 6 7 Li 0.77508107545396 0.72491892454604 0.25000000000000 6.941 > 7 8 Li 0.77508107545396 0.77508107545396 0.00000000000000 6.941 > 8 9 Li 0.77508107545396 0.27508107545396 0.25000000000000 6.941 > 9 10 Li 0.77508107545396 0.22491892454604 0.00000000000000 6.941 > 10 11 Li 0.22491892454604 0.77508107545396 0.00000000000000 6.941 > 11 12 Li 0.22491892454604 0.72491892454604 0.25000000000000 6.941 > 12 13 Li 0.50000000000000 0.50000000000000 0.87433725302756 6.941 > 1 14 Li 0.00000000000000 0.50000000000000 0.62433725302756 6.941 > 2 15 Li 0.00000000000000 0.50000000000000 0.87566274697244 6.941 > 3 16 Li 0.00000000000000 0.00000000000000 0.62566274697244 6.941 > 4 17 Li 0.72491892454604 0.72491892454604 0.50000000000000 6.941 > 5 18 Li 0.72491892454604 0.77508107545396 0.75000000000000 6.941 > 6 19 Li 0.27508107545396 0.22491892454604 0.75000000000000 6.941 > 7 20 Li 0.27508107545396 0.27508107545396 0.50000000000000 6.941 > 8 21 Li 0.27508107545396 0.77508107545396 0.75000000000000 6.941 > 9 22 Li 0.27508107545396 0.72491892454604 0.50000000000000 6.941 > 10 23 Li 0.72491892454604 0.27508107545396 0.50000000000000 6.941 > 11 24 Li 0.72491892454604 0.22491892454604 0.75000000000000 6.941 > 12 *25 B 0.00000000000000 0.00000000000000 0.14595714882420 10.811 > 13 26 B 0.00000000000000 0.50000000000000 0.39595714882420 10.811 > 14 27 B 0.00000000000000 0.50000000000000 0.10404285117580 10.811 > 15 28 B 0.50000000000000 0.50000000000000 0.35404285117580 10.811 > 16 29 B 0.50000000000000 0.50000000000000 0.64595714882420 10.811 > 13 30 B 0.50000000000000 0.00000000000000 0.89595714882420 10.811 > 14 31 B 0.50000000000000 0.00000000000000 0.60404285117580 10.811 > 15 32 B 0.00000000000000 0.00000000000000 0.85404285117580 10.811 > 16 *33 N 0.79510116095688 0.00000000000000 0.15113952176434 14.007 > 17 34 N 0.00000000000000 0.70489883904312 0.40113952176434 14.007 > 18 35 N 0.00000000000000 0.29510116095688 0.40113952176434 14.007 > 19 36 N 0.20489883904312 0.50000000000000 0.09886047823566 14.007 > 20 37 N 0.79510116095688 0.50000000000000 0.09886047823566 14.007 > 21 38 N 0.50000000000000 0.29510116095688 0.34886047823566 14.007 > 22 39 N 0.50000000000000 0.70489883904312 0.34886047823566 14.007 > 23 40 N 0.20489883904312 0.00000000000000 0.15113952176434 14.007 > 24 41 N 0.29510116095688 0.50000000000000 0.65113952176434 14.007 > 17 42 N 0.50000000000000 0.20489883904312 0.90113952176434 14.007 > 18 43 N 0.50000000000000 0.79510116095688 0.90113952176434 14.007 > 19 44 N 0.70489883904312 0.00000000000000 0.59886047823566 14.007 > 20 45 N 0.29510116095688 0.00000000000000 0.59886047823566 14.007 > 21 46 N 0.00000000000000 0.79510116095688 0.84886047823566 14.007 > 22 47 N 0.00000000000000 0.20489883904312 0.84886047823566 14.007 > 23 48 N 0.70489883904312 0.50000000000000 0.65113952176434 14.007 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.562500260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.562500260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.172284420000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.37433725302756 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.12433725302756 6.941 > 2 3 Li 0.50000000000000 0.00000000000000 0.37566274697244 6.941 > 3 4 Li 0.50000000000000 0.50000000000000 0.12566274697244 6.941 > 4 *5 Li 0.22491892454604 0.22491892454604 0.00000000000000 6.941 > 5 6 Li 0.22491892454604 0.27508107545396 0.25000000000000 6.941 > 6 7 Li 0.77508107545396 0.72491892454604 0.25000000000000 6.941 > 7 8 Li 0.77508107545396 0.77508107545396 0.00000000000000 6.941 > 8 9 Li 0.77508107545396 0.27508107545396 0.25000000000000 6.941 > 9 10 Li 0.77508107545396 0.22491892454604 0.00000000000000 6.941 > 10 11 Li 0.22491892454604 0.77508107545396 0.00000000000000 6.941 > 11 12 Li 0.22491892454604 0.72491892454604 0.25000000000000 6.941 > 12 13 Li 0.50000000000000 0.50000000000000 0.87433725302756 6.941 > 1 14 Li 0.00000000000000 0.50000000000000 0.62433725302756 6.941 > 2 15 Li 0.00000000000000 0.50000000000000 0.87566274697244 6.941 > 3 16 Li 0.00000000000000 0.00000000000000 0.62566274697244 6.941 > 4 17 Li 0.72491892454604 0.72491892454604 0.50000000000000 6.941 > 5 18 Li 0.72491892454604 0.77508107545396 0.75000000000000 6.941 > 6 19 Li 0.27508107545396 0.22491892454604 0.75000000000000 6.941 > 7 20 Li 0.27508107545396 0.27508107545396 0.50000000000000 6.941 > 8 21 Li 0.27508107545396 0.77508107545396 0.75000000000000 6.941 > 9 22 Li 0.27508107545396 0.72491892454604 0.50000000000000 6.941 > 10 23 Li 0.72491892454604 0.27508107545396 0.50000000000000 6.941 > 11 24 Li 0.72491892454604 0.22491892454604 0.75000000000000 6.941 > 12 *25 B 0.00000000000000 0.00000000000000 0.14595714882420 10.811 > 13 26 B 0.00000000000000 0.50000000000000 0.39595714882420 10.811 > 14 27 B 0.00000000000000 0.50000000000000 0.10404285117580 10.811 > 15 28 B 0.50000000000000 0.50000000000000 0.35404285117580 10.811 > 16 29 B 0.50000000000000 0.50000000000000 0.64595714882420 10.811 > 13 30 B 0.50000000000000 0.00000000000000 0.89595714882420 10.811 > 14 31 B 0.50000000000000 0.00000000000000 0.60404285117580 10.811 > 15 32 B 0.00000000000000 0.00000000000000 0.85404285117580 10.811 > 16 *33 N 0.79510116095688 0.00000000000000 0.15113952176434 14.007 > 17 34 N 0.00000000000000 0.70489883904312 0.40113952176434 14.007 > 18 35 N 0.00000000000000 0.29510116095688 0.40113952176434 14.007 > 19 36 N 0.20489883904312 0.50000000000000 0.09886047823566 14.007 > 20 37 N 0.79510116095688 0.50000000000000 0.09886047823566 14.007 > 21 38 N 0.50000000000000 0.29510116095688 0.34886047823566 14.007 > 22 39 N 0.50000000000000 0.70489883904312 0.34886047823566 14.007 > 23 40 N 0.20489883904312 0.00000000000000 0.15113952176434 14.007 > 24 41 N 0.29510116095688 0.50000000000000 0.65113952176434 14.007 > 17 42 N 0.50000000000000 0.20489883904312 0.90113952176434 14.007 > 18 43 N 0.50000000000000 0.79510116095688 0.90113952176434 14.007 > 19 44 N 0.70489883904312 0.00000000000000 0.59886047823566 14.007 > 20 45 N 0.29510116095688 0.00000000000000 0.59886047823566 14.007 > 21 46 N 0.00000000000000 0.79510116095688 0.84886047823566 14.007 > 22 47 N 0.00000000000000 0.20489883904312 0.84886047823566 14.007 > 23 48 N 0.70489883904312 0.50000000000000 0.65113952176434 14.007 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9264156 0.0000000 0.0000000 0.0000000 3.9264156 0.0000000 0.0000000 0.0000000 3.8476408 -------------------------- Born effective charges -------------------------- 1 Li 0.9385035 0.0000000 0.0000000 0.0000000 1.5318758 0.0000000 0.0000000 0.0000000 1.2646768 2 Li 1.5318758 0.0000000 0.0000000 0.0000000 0.9385035 0.0000000 0.0000000 0.0000000 1.2646768 3 Li 0.9385035 0.0000000 0.0000000 0.0000000 1.5318758 0.0000000 0.0000000 0.0000000 1.2646768 4 Li 1.5318758 0.0000000 0.0000000 0.0000000 0.9385035 0.0000000 0.0000000 0.0000000 1.2646768 5 Li 0.8594727 -0.0406021 -0.2088809 -0.0406021 0.8594727 0.2088809 -0.0732416 0.0732416 0.9208747 6 Li 0.8594727 0.0406021 0.2088809 0.0406021 0.8594727 0.2088809 0.0732416 0.0732416 0.9208747 7 Li 0.8594727 0.0406021 -0.2088809 0.0406021 0.8594727 -0.2088809 -0.0732416 -0.0732416 0.9208747 8 Li 0.8594727 -0.0406021 0.2088809 -0.0406021 0.8594727 -0.2088809 0.0732416 -0.0732416 0.9208747 9 Li 0.8594727 -0.0406021 -0.2088809 -0.0406021 0.8594727 0.2088809 -0.0732416 0.0732416 0.9208747 10 Li 0.8594727 0.0406021 0.2088809 0.0406021 0.8594727 0.2088809 0.0732416 0.0732416 0.9208747 11 Li 0.8594727 0.0406021 -0.2088809 0.0406021 0.8594727 -0.2088809 -0.0732416 -0.0732416 0.9208747 12 Li 0.8594727 -0.0406021 0.2088809 -0.0406021 0.8594727 -0.2088809 0.0732416 -0.0732416 0.9208747 13 B 2.6143439 0.0000000 0.0000000 0.0000000 0.1243557 0.0000000 0.0000000 0.0000000 0.1736294 14 B 0.1243557 0.0000000 0.0000000 0.0000000 2.6143439 0.0000000 0.0000000 0.0000000 0.1736294 15 B 2.6143439 0.0000000 0.0000000 0.0000000 0.1243557 0.0000000 0.0000000 0.0000000 0.1736294 16 B 0.1243557 0.0000000 0.0000000 0.0000000 2.6143439 0.0000000 0.0000000 0.0000000 0.1736294 17 N -2.7209020 0.0000000 0.0217781 0.0000000 -1.6025828 0.0000000 -0.0144917 0.0000000 -1.6400279 18 N -1.6025828 0.0000000 0.0000000 0.0000000 -2.7209020 -0.0217781 0.0000000 0.0144917 -1.6400279 19 N -1.6025828 0.0000000 0.0000000 0.0000000 -2.7209020 0.0217781 0.0000000 -0.0144917 -1.6400279 20 N -2.7209020 0.0000000 0.0217781 0.0000000 -1.6025828 0.0000000 -0.0144917 0.0000000 -1.6400279 21 N -2.7209020 0.0000000 -0.0217781 0.0000000 -1.6025828 0.0000000 0.0144917 0.0000000 -1.6400279 22 N -1.6025828 0.0000000 0.0000000 0.0000000 -2.7209020 -0.0217781 0.0000000 0.0144917 -1.6400279 23 N -1.6025828 0.0000000 0.0000000 0.0000000 -2.7209020 0.0217781 0.0000000 -0.0144917 -1.6400279 24 N -2.7209020 0.0000000 -0.0217781 0.0000000 -1.6025828 0.0000000 0.0144917 0.0000000 -1.6400279 ---------------------------------------------------------------------------- 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: 144/144 Permutation basis: 6156/6156 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 391 Number of blocks in projector: 399 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 75 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (391, 375), data: False |-- (48, 47), data: True |-- (75, 71), data: True |-- (128, 124), data: True |-- (140, 133), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.111 Solver_block: 200 / 240 - Time: 0.127 Solver_block: 240 / 240 - Time: 0.060 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.305 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 144/144 Permutation basis: 6156/6156 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 391 Number of blocks in projector: 399 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 75 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (391, 375), data: False |-- (48, 47), data: True |-- (75, 71), data: True |-- (128, 124), data: True |-- (140, 133), 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 2026-01-07 21:04:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:04:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.281250130000000 3.281250130000000 5.086142210000000 b 3.281250130000000 -3.281250130000000 5.086142210000000 c 3.281250130000000 3.281250130000000 -5.086142210000000 Atomic positions (fractional): 1 Li 0.37433725302756 0.37433725302756 0.00000000000000 6.941 2 Li 0.12433725302756 0.62433725302756 0.50000000000000 6.941 3 Li 0.37566274697244 0.87566274697244 0.50000000000000 6.941 4 Li 0.62566274697244 0.62566274697244 0.00000000000000 6.941 5 Li 0.22491892454604 0.22491892454604 0.44983784909209 6.941 6 Li 0.52508107545396 0.47491892454604 0.50000000000000 6.941 7 Li 0.97491892454604 0.02508107545396 0.50000000000000 6.941 8 Li 0.77508107545396 0.77508107545396 0.55016215090791 6.941 9 Li 0.52508107545396 0.02508107545396 0.05016215090791 6.941 10 Li 0.22491892454604 0.77508107545396 0.00000000000000 6.941 11 Li 0.77508107545396 0.22491892454604 0.00000000000000 6.941 12 Li 0.97491892454604 0.47491892454604 0.94983784909209 6.941 13 B 0.14595714882420 0.14595714882420 0.00000000000000 10.811 14 B 0.89595714882420 0.39595714882420 0.50000000000000 10.811 15 B 0.60404285117580 0.10404285117580 0.50000000000000 10.811 16 B 0.85404285117580 0.85404285117580 0.00000000000000 10.811 17 N 0.15113952176434 0.94624068272122 0.79510116095688 14.007 18 N 0.10603836080747 0.40113952176434 0.70489883904312 14.007 19 N 0.69624068272122 0.40113952176434 0.29510116095688 14.007 20 N 0.59886047823566 0.30375931727878 0.70489883904312 14.007 21 N 0.59886047823566 0.89396163919254 0.29510116095688 14.007 22 N 0.64396163919254 0.84886047823566 0.79510116095688 14.007 23 N 0.05375931727878 0.84886047823566 0.20489883904312 14.007 24 N 0.15113952176434 0.35603836080746 0.20489883904312 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.562500260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.562500260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.172284420000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.37433725302756 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.12433725302756 6.941 > 2 3 Li 0.50000000000000 0.00000000000000 0.37566274697244 6.941 > 3 4 Li 0.50000000000000 0.50000000000000 0.12566274697244 6.941 > 4 5 Li 0.22491892454604 0.22491892454604 0.00000000000000 6.941 > 5 6 Li 0.22491892454604 0.27508107545396 0.25000000000000 6.941 > 6 7 Li 0.77508107545396 0.72491892454604 0.25000000000000 6.941 > 7 8 Li 0.77508107545396 0.77508107545396 0.00000000000000 6.941 > 8 9 Li 0.77508107545396 0.27508107545396 0.25000000000000 6.941 > 9 10 Li 0.77508107545396 0.22491892454604 0.00000000000000 6.941 > 10 11 Li 0.22491892454604 0.77508107545396 0.00000000000000 6.941 > 11 12 Li 0.22491892454604 0.72491892454604 0.25000000000000 6.941 > 12 13 Li 0.50000000000000 0.50000000000000 0.87433725302756 6.941 > 1 14 Li 0.00000000000000 0.50000000000000 0.62433725302756 6.941 > 2 15 Li 0.00000000000000 0.50000000000000 0.87566274697244 6.941 > 3 16 Li 0.00000000000000 0.00000000000000 0.62566274697244 6.941 > 4 17 Li 0.72491892454604 0.72491892454604 0.50000000000000 6.941 > 5 18 Li 0.72491892454604 0.77508107545396 0.75000000000000 6.941 > 6 19 Li 0.27508107545396 0.22491892454604 0.75000000000000 6.941 > 7 20 Li 0.27508107545396 0.27508107545396 0.50000000000000 6.941 > 8 21 Li 0.27508107545396 0.77508107545396 0.75000000000000 6.941 > 9 22 Li 0.27508107545396 0.72491892454604 0.50000000000000 6.941 > 10 23 Li 0.72491892454604 0.27508107545396 0.50000000000000 6.941 > 11 24 Li 0.72491892454604 0.22491892454604 0.75000000000000 6.941 > 12 25 B 0.00000000000000 0.00000000000000 0.14595714882420 10.811 > 25 26 B 0.00000000000000 0.50000000000000 0.39595714882420 10.811 > 26 27 B 0.00000000000000 0.50000000000000 0.10404285117580 10.811 > 27 28 B 0.50000000000000 0.50000000000000 0.35404285117580 10.811 > 28 29 B 0.50000000000000 0.50000000000000 0.64595714882420 10.811 > 25 30 B 0.50000000000000 0.00000000000000 0.89595714882420 10.811 > 26 31 B 0.50000000000000 0.00000000000000 0.60404285117580 10.811 > 27 32 B 0.00000000000000 0.00000000000000 0.85404285117580 10.811 > 28 33 N 0.79510116095688 0.00000000000000 0.15113952176434 14.007 > 33 34 N 0.00000000000000 0.70489883904312 0.40113952176434 14.007 > 34 35 N 0.00000000000000 0.29510116095688 0.40113952176434 14.007 > 35 36 N 0.20489883904312 0.50000000000000 0.09886047823566 14.007 > 36 37 N 0.79510116095688 0.50000000000000 0.09886047823566 14.007 > 37 38 N 0.50000000000000 0.29510116095688 0.34886047823566 14.007 > 38 39 N 0.50000000000000 0.70489883904312 0.34886047823566 14.007 > 39 40 N 0.20489883904312 0.00000000000000 0.15113952176434 14.007 > 40 41 N 0.29510116095688 0.50000000000000 0.65113952176434 14.007 > 33 42 N 0.50000000000000 0.20489883904312 0.90113952176434 14.007 > 34 43 N 0.50000000000000 0.79510116095688 0.90113952176434 14.007 > 35 44 N 0.70489883904312 0.00000000000000 0.59886047823566 14.007 > 36 45 N 0.29510116095688 0.00000000000000 0.59886047823566 14.007 > 37 46 N 0.00000000000000 0.79510116095688 0.84886047823566 14.007 > 38 47 N 0.00000000000000 0.20489883904312 0.84886047823566 14.007 > 39 48 N 0.70489883904312 0.50000000000000 0.65113952176434 14.007 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9264156 0.0000000 0.0000000 0.0000000 3.9264156 0.0000000 0.0000000 0.0000000 3.8476408 -------------------------- Born effective charges -------------------------- 1 Li 0.9385035 0.0000000 0.0000000 0.0000000 1.5318758 0.0000000 0.0000000 0.0000000 1.2646768 2 Li 1.5318758 0.0000000 0.0000000 0.0000000 0.9385035 0.0000000 0.0000000 0.0000000 1.2646768 3 Li 0.9385035 0.0000000 0.0000000 0.0000000 1.5318758 0.0000000 0.0000000 0.0000000 1.2646768 4 Li 1.5318758 0.0000000 0.0000000 0.0000000 0.9385035 0.0000000 0.0000000 0.0000000 1.2646768 5 Li 0.8594727 -0.0406021 -0.2088809 -0.0406021 0.8594727 0.2088809 -0.0732416 0.0732416 0.9208747 6 Li 0.8594727 0.0406021 0.2088809 0.0406021 0.8594727 0.2088809 0.0732416 0.0732416 0.9208747 7 Li 0.8594727 0.0406021 -0.2088809 0.0406021 0.8594727 -0.2088809 -0.0732416 -0.0732416 0.9208747 8 Li 0.8594727 -0.0406021 0.2088809 -0.0406021 0.8594727 -0.2088809 0.0732416 -0.0732416 0.9208747 9 Li 0.8594727 -0.0406021 -0.2088809 -0.0406021 0.8594727 0.2088809 -0.0732416 0.0732416 0.9208747 10 Li 0.8594727 0.0406021 0.2088809 0.0406021 0.8594727 0.2088809 0.0732416 0.0732416 0.9208747 11 Li 0.8594727 0.0406021 -0.2088809 0.0406021 0.8594727 -0.2088809 -0.0732416 -0.0732416 0.9208747 12 Li 0.8594727 -0.0406021 0.2088809 -0.0406021 0.8594727 -0.2088809 0.0732416 -0.0732416 0.9208747 13 B 2.6143439 0.0000000 0.0000000 0.0000000 0.1243557 0.0000000 0.0000000 0.0000000 0.1736294 14 B 0.1243557 0.0000000 0.0000000 0.0000000 2.6143439 0.0000000 0.0000000 0.0000000 0.1736294 15 B 2.6143439 0.0000000 0.0000000 0.0000000 0.1243557 0.0000000 0.0000000 0.0000000 0.1736294 16 B 0.1243557 0.0000000 0.0000000 0.0000000 2.6143439 0.0000000 0.0000000 0.0000000 0.1736294 17 N -2.7209020 0.0000000 0.0217781 0.0000000 -1.6025828 0.0000000 -0.0144917 0.0000000 -1.6400279 18 N -1.6025828 0.0000000 0.0000000 0.0000000 -2.7209020 -0.0217781 0.0000000 0.0144917 -1.6400279 19 N -1.6025828 0.0000000 0.0000000 0.0000000 -2.7209020 0.0217781 0.0000000 -0.0144917 -1.6400279 20 N -2.7209020 0.0000000 0.0217781 0.0000000 -1.6025828 0.0000000 -0.0144917 0.0000000 -1.6400279 21 N -2.7209020 0.0000000 -0.0217781 0.0000000 -1.6025828 0.0000000 0.0144917 0.0000000 -1.6400279 22 N -1.6025828 0.0000000 0.0000000 0.0000000 -2.7209020 -0.0217781 0.0000000 0.0144917 -1.6400279 23 N -1.6025828 0.0000000 0.0000000 0.0000000 -2.7209020 0.0217781 0.0000000 -0.0144917 -1.6400279 24 N -2.7209020 0.0000000 -0.0217781 0.0000000 -1.6025828 0.0000000 0.0144917 0.0000000 -1.6400279 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:04:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:04:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.281250130000000 3.281250130000000 5.086142210000000 b 3.281250130000000 -3.281250130000000 5.086142210000000 c 3.281250130000000 3.281250130000000 -5.086142210000000 Atomic positions (fractional): 1 Li 0.37433725302756 0.37433725302756 0.00000000000000 6.941 2 Li 0.12433725302756 0.62433725302756 0.50000000000000 6.941 3 Li 0.37566274697244 0.87566274697244 0.50000000000000 6.941 4 Li 0.62566274697244 0.62566274697244 0.00000000000000 6.941 5 Li 0.22491892454604 0.22491892454604 0.44983784909209 6.941 6 Li 0.52508107545396 0.47491892454604 0.50000000000000 6.941 7 Li 0.97491892454604 0.02508107545396 0.50000000000000 6.941 8 Li 0.77508107545396 0.77508107545396 0.55016215090791 6.941 9 Li 0.52508107545396 0.02508107545396 0.05016215090791 6.941 10 Li 0.22491892454604 0.77508107545396 0.00000000000000 6.941 11 Li 0.77508107545396 0.22491892454604 0.00000000000000 6.941 12 Li 0.97491892454604 0.47491892454604 0.94983784909209 6.941 13 B 0.14595714882420 0.14595714882420 0.00000000000000 10.811 14 B 0.89595714882420 0.39595714882420 0.50000000000000 10.811 15 B 0.60404285117580 0.10404285117580 0.50000000000000 10.811 16 B 0.85404285117580 0.85404285117580 0.00000000000000 10.811 17 N 0.15113952176434 0.94624068272122 0.79510116095688 14.007 18 N 0.10603836080747 0.40113952176434 0.70489883904312 14.007 19 N 0.69624068272122 0.40113952176434 0.29510116095688 14.007 20 N 0.59886047823566 0.30375931727878 0.70489883904312 14.007 21 N 0.59886047823566 0.89396163919254 0.29510116095688 14.007 22 N 0.64396163919254 0.84886047823566 0.79510116095688 14.007 23 N 0.05375931727878 0.84886047823566 0.20489883904312 14.007 24 N 0.15113952176434 0.35603836080746 0.20489883904312 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.562500260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.562500260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.172284420000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.37433725302756 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.12433725302756 6.941 > 2 3 Li 0.50000000000000 0.00000000000000 0.37566274697244 6.941 > 3 4 Li 0.50000000000000 0.50000000000000 0.12566274697244 6.941 > 4 5 Li 0.22491892454604 0.22491892454604 0.00000000000000 6.941 > 5 6 Li 0.22491892454604 0.27508107545396 0.25000000000000 6.941 > 6 7 Li 0.77508107545396 0.72491892454604 0.25000000000000 6.941 > 7 8 Li 0.77508107545396 0.77508107545396 0.00000000000000 6.941 > 8 9 Li 0.77508107545396 0.27508107545396 0.25000000000000 6.941 > 9 10 Li 0.77508107545396 0.22491892454604 0.00000000000000 6.941 > 10 11 Li 0.22491892454604 0.77508107545396 0.00000000000000 6.941 > 11 12 Li 0.22491892454604 0.72491892454604 0.25000000000000 6.941 > 12 13 Li 0.50000000000000 0.50000000000000 0.87433725302756 6.941 > 1 14 Li 0.00000000000000 0.50000000000000 0.62433725302756 6.941 > 2 15 Li 0.00000000000000 0.50000000000000 0.87566274697244 6.941 > 3 16 Li 0.00000000000000 0.00000000000000 0.62566274697244 6.941 > 4 17 Li 0.72491892454604 0.72491892454604 0.50000000000000 6.941 > 5 18 Li 0.72491892454604 0.77508107545396 0.75000000000000 6.941 > 6 19 Li 0.27508107545396 0.22491892454604 0.75000000000000 6.941 > 7 20 Li 0.27508107545396 0.27508107545396 0.50000000000000 6.941 > 8 21 Li 0.27508107545396 0.77508107545396 0.75000000000000 6.941 > 9 22 Li 0.27508107545396 0.72491892454604 0.50000000000000 6.941 > 10 23 Li 0.72491892454604 0.27508107545396 0.50000000000000 6.941 > 11 24 Li 0.72491892454604 0.22491892454604 0.75000000000000 6.941 > 12 25 B 0.00000000000000 0.00000000000000 0.14595714882420 10.811 > 25 26 B 0.00000000000000 0.50000000000000 0.39595714882420 10.811 > 26 27 B 0.00000000000000 0.50000000000000 0.10404285117580 10.811 > 27 28 B 0.50000000000000 0.50000000000000 0.35404285117580 10.811 > 28 29 B 0.50000000000000 0.50000000000000 0.64595714882420 10.811 > 25 30 B 0.50000000000000 0.00000000000000 0.89595714882420 10.811 > 26 31 B 0.50000000000000 0.00000000000000 0.60404285117580 10.811 > 27 32 B 0.00000000000000 0.00000000000000 0.85404285117580 10.811 > 28 33 N 0.79510116095688 0.00000000000000 0.15113952176434 14.007 > 33 34 N 0.00000000000000 0.70489883904312 0.40113952176434 14.007 > 34 35 N 0.00000000000000 0.29510116095688 0.40113952176434 14.007 > 35 36 N 0.20489883904312 0.50000000000000 0.09886047823566 14.007 > 36 37 N 0.79510116095688 0.50000000000000 0.09886047823566 14.007 > 37 38 N 0.50000000000000 0.29510116095688 0.34886047823566 14.007 > 38 39 N 0.50000000000000 0.70489883904312 0.34886047823566 14.007 > 39 40 N 0.20489883904312 0.00000000000000 0.15113952176434 14.007 > 40 41 N 0.29510116095688 0.50000000000000 0.65113952176434 14.007 > 33 42 N 0.50000000000000 0.20489883904312 0.90113952176434 14.007 > 34 43 N 0.50000000000000 0.79510116095688 0.90113952176434 14.007 > 35 44 N 0.70489883904312 0.00000000000000 0.59886047823566 14.007 > 36 45 N 0.29510116095688 0.00000000000000 0.59886047823566 14.007 > 37 46 N 0.00000000000000 0.79510116095688 0.84886047823566 14.007 > 38 47 N 0.00000000000000 0.20489883904312 0.84886047823566 14.007 > 39 48 N 0.70489883904312 0.50000000000000 0.65113952176434 14.007 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9264156 0.0000000 0.0000000 0.0000000 3.9264156 0.0000000 0.0000000 0.0000000 3.8476408 -------------------------- Born effective charges -------------------------- 1 Li 0.9385035 0.0000000 0.0000000 0.0000000 1.5318758 0.0000000 0.0000000 0.0000000 1.2646768 2 Li 1.5318758 0.0000000 0.0000000 0.0000000 0.9385035 0.0000000 0.0000000 0.0000000 1.2646768 3 Li 0.9385035 0.0000000 0.0000000 0.0000000 1.5318758 0.0000000 0.0000000 0.0000000 1.2646768 4 Li 1.5318758 0.0000000 0.0000000 0.0000000 0.9385035 0.0000000 0.0000000 0.0000000 1.2646768 5 Li 0.8594727 -0.0406021 -0.2088809 -0.0406021 0.8594727 0.2088809 -0.0732416 0.0732416 0.9208747 6 Li 0.8594727 0.0406021 0.2088809 0.0406021 0.8594727 0.2088809 0.0732416 0.0732416 0.9208747 7 Li 0.8594727 0.0406021 -0.2088809 0.0406021 0.8594727 -0.2088809 -0.0732416 -0.0732416 0.9208747 8 Li 0.8594727 -0.0406021 0.2088809 -0.0406021 0.8594727 -0.2088809 0.0732416 -0.0732416 0.9208747 9 Li 0.8594727 -0.0406021 -0.2088809 -0.0406021 0.8594727 0.2088809 -0.0732416 0.0732416 0.9208747 10 Li 0.8594727 0.0406021 0.2088809 0.0406021 0.8594727 0.2088809 0.0732416 0.0732416 0.9208747 11 Li 0.8594727 0.0406021 -0.2088809 0.0406021 0.8594727 -0.2088809 -0.0732416 -0.0732416 0.9208747 12 Li 0.8594727 -0.0406021 0.2088809 -0.0406021 0.8594727 -0.2088809 0.0732416 -0.0732416 0.9208747 13 B 2.6143439 0.0000000 0.0000000 0.0000000 0.1243557 0.0000000 0.0000000 0.0000000 0.1736294 14 B 0.1243557 0.0000000 0.0000000 0.0000000 2.6143439 0.0000000 0.0000000 0.0000000 0.1736294 15 B 2.6143439 0.0000000 0.0000000 0.0000000 0.1243557 0.0000000 0.0000000 0.0000000 0.1736294 16 B 0.1243557 0.0000000 0.0000000 0.0000000 2.6143439 0.0000000 0.0000000 0.0000000 0.1736294 17 N -2.7209020 0.0000000 0.0217781 0.0000000 -1.6025828 0.0000000 -0.0144917 0.0000000 -1.6400279 18 N -1.6025828 0.0000000 0.0000000 0.0000000 -2.7209020 -0.0217781 0.0000000 0.0144917 -1.6400279 19 N -1.6025828 0.0000000 0.0000000 0.0000000 -2.7209020 0.0217781 0.0000000 -0.0144917 -1.6400279 20 N -2.7209020 0.0000000 0.0217781 0.0000000 -1.6025828 0.0000000 -0.0144917 0.0000000 -1.6400279 21 N -2.7209020 0.0000000 -0.0217781 0.0000000 -1.6025828 0.0000000 0.0144917 0.0000000 -1.6400279 22 N -1.6025828 0.0000000 0.0000000 0.0000000 -2.7209020 -0.0217781 0.0000000 0.0144917 -1.6400279 23 N -1.6025828 0.0000000 0.0000000 0.0000000 -2.7209020 0.0217781 0.0000000 -0.0144917 -1.6400279 24 N -2.7209020 0.0000000 -0.0217781 0.0000000 -1.6025828 0.0000000 0.0144917 0.0000000 -1.6400279 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) 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 ... Generalized regular grid: [ 1 8 80 ] Grid generation matrix: [ 0 8 8 ] [ 8 0 8 ] [ 5 5 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.69, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 -0.000 -0.000) 0.000 3.982 ( 0.000 -0.000 0.000) 0.000 3.982 ( 0.000 -0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 -0.000 0.000) 0.000 5.861 ( 0.000 -0.000 0.000) 0.000 5.861 ( 0.000 -0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.803 ( -0.000 -0.000 -0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.319 ( 0.000 -0.000 0.000) 0.000 7.319 ( 0.000 0.000 0.000) 0.000 8.061 ( 0.000 0.000 0.000) 0.000 8.061 ( -0.000 0.000 0.000) 0.000 8.097 ( 0.000 -0.000 0.000) 0.000 8.801 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 -0.000 0.000) 0.000 8.812 ( -0.000 -0.000 0.000) 0.000 9.731 ( 0.000 0.000 0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 10.514 ( 0.000 0.000 -0.000) 0.000 10.578 ( 0.000 -0.000 0.000) 0.000 10.578 ( -0.000 -0.000 -0.000) 0.000 10.920 ( 0.000 -0.000 0.000) 0.000 11.118 ( 0.000 0.000 0.000) 0.000 11.118 ( 0.000 -0.000 0.000) 0.000 11.192 ( -0.000 0.000 0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 11.932 ( 0.000 0.000 -0.000) 0.000 11.932 ( -0.000 0.000 0.000) 0.000 12.556 ( -0.000 -0.000 -0.000) 0.000 12.642 ( 0.000 -0.000 -0.000) 0.000 12.861 ( 0.000 -0.000 -0.000) 0.000 12.967 ( 0.000 -0.000 -0.000) 0.000 12.967 ( -0.000 0.000 -0.000) 0.000 13.142 ( 0.000 0.000 0.000) 0.000 13.384 ( 0.000 0.000 0.000) 0.000 13.521 ( 0.000 0.000 0.000) 0.000 14.076 ( 0.000 0.000 -0.000) 0.000 14.076 ( 0.000 0.000 -0.000) 0.000 14.211 ( 0.000 0.000 0.000) 0.000 14.211 ( 0.000 0.000 0.000) 0.000 14.416 ( 0.000 0.000 -0.000) 0.000 14.416 ( 0.000 0.000 0.000) 0.000 14.550 ( 0.000 0.000 0.000) 0.000 15.415 ( 0.000 -0.000 -0.000) 0.000 15.585 ( 0.000 0.000 0.000) 0.000 17.083 ( 0.000 0.000 0.000) 0.000 17.373 ( 0.000 -0.000 0.000) 0.000 17.373 ( 0.000 0.000 -0.000) 0.000 17.590 ( -0.000 0.000 0.000) 0.000 17.590 ( -0.000 0.000 -0.000) 0.000 18.013 ( -0.000 -0.000 0.000) 0.000 18.026 ( -0.000 -0.000 -0.000) 0.000 18.026 ( 0.000 0.000 -0.000) 0.000 18.341 ( 0.000 0.000 0.000) 0.000 18.494 ( -0.000 0.000 0.000) 0.000 18.753 ( 0.000 0.000 0.000) 0.000 18.753 ( 0.000 0.000 -0.000) 0.000 18.934 ( 0.000 -0.000 0.000) 0.000 31.433 ( 0.000 -0.000 0.000) 0.000 31.773 ( 0.000 0.000 0.000) 0.000 31.793 ( 0.000 -0.000 0.000) 0.000 31.867 ( -0.000 -0.000 0.000) 0.000 50.978 ( -0.000 0.000 0.000) 0.000 50.978 ( 0.000 0.000 -0.000) 0.000 51.913 ( 0.000 0.000 -0.000) 0.000 51.913 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 30.592 30.592 0.000) 43.264 1.646 ( 36.804 36.804 0.000) 52.048 2.596 ( 66.682 66.682 0.000) 94.302 3.588 ( -9.553 -9.553 -0.000) 13.511 3.695 ( -7.629 -7.629 -0.000) 10.789 3.888 ( 3.411 3.411 0.000) 4.823 4.543 ( -7.659 -7.659 -0.000) 10.831 4.557 ( -13.753 -13.753 -0.000) 19.449 4.607 ( 12.547 12.547 0.000) 17.744 6.198 ( 17.248 17.248 0.000) 24.392 6.434 ( 22.787 22.787 0.000) 32.225 6.527 ( 11.894 11.894 0.000) 16.821 7.042 ( 14.857 14.857 0.000) 21.010 7.149 ( 2.991 2.991 0.000) 4.231 7.290 ( -1.407 -1.407 -0.000) 1.990 7.326 ( 0.491 0.491 0.000) 0.694 7.861 ( -8.538 -8.538 -0.000) 12.075 8.007 ( -3.094 -3.094 -0.000) 4.375 8.094 ( 1.286 1.286 0.000) 1.819 8.630 ( -8.166 -8.166 -0.000) 11.548 8.976 ( 7.344 7.344 0.000) 10.386 9.107 ( 4.433 4.433 0.000) 6.269 9.751 ( 0.977 0.977 0.000) 1.381 10.029 ( -16.290 -16.290 -0.000) 23.038 10.033 ( 6.467 6.467 0.000) 9.146 10.610 ( 0.595 0.595 0.000) 0.841 10.763 ( 2.361 2.361 0.000) 3.338 10.842 ( -4.301 -4.301 -0.000) 6.083 11.206 ( 4.674 4.674 0.000) 6.609 11.296 ( 7.107 7.107 0.000) 10.051 11.331 ( 6.806 6.806 0.000) 9.624 11.711 ( -1.936 -1.936 -0.000) 2.738 11.906 ( -2.281 -2.281 -0.000) 3.226 11.914 ( -1.189 -1.189 -0.000) 1.681 12.580 ( 1.470 1.470 0.000) 2.079 12.710 ( 3.312 3.312 0.000) 4.684 12.853 ( 0.012 0.012 0.000) 0.017 12.885 ( -13.015 -13.015 -0.000) 18.406 13.018 ( 2.807 2.807 0.000) 3.970 13.325 ( 6.302 6.302 0.000) 8.912 13.354 ( -1.407 -1.407 -0.000) 1.989 13.585 ( 3.463 3.463 0.000) 4.897 13.994 ( -6.118 -6.118 -0.000) 8.652 14.111 ( 1.721 1.721 0.000) 2.433 14.290 ( 3.557 3.557 0.000) 5.031 14.292 ( -1.564 -1.564 -0.000) 2.211 14.424 ( 0.075 0.075 0.000) 0.106 14.588 ( -0.288 -0.288 -0.000) 0.407 15.400 ( -3.849 -3.849 -0.000) 5.443 15.457 ( -6.500 -6.500 -0.000) 9.192 15.477 ( 2.745 2.745 0.000) 3.882 16.886 ( -8.380 -8.380 -0.000) 11.851 17.359 ( -1.174 -1.174 -0.000) 1.660 17.437 ( -7.831 -7.831 -0.000) 11.075 17.466 ( 3.046 3.046 0.000) 4.308 17.514 ( -3.714 -3.714 -0.000) 5.252 17.952 ( -3.355 -3.355 -0.000) 4.745 18.042 ( 1.234 1.234 0.000) 1.745 18.362 ( 1.053 1.053 0.000) 1.489 18.486 ( -0.538 -0.538 -0.000) 0.760 18.653 ( -4.441 -4.441 -0.000) 6.281 18.758 ( 0.492 0.492 0.000) 0.696 18.947 ( -0.045 -0.045 -0.000) 0.063 20.149 ( -12.044 -12.044 -0.000) 17.033 31.444 ( 0.543 0.543 0.000) 0.768 31.772 ( -1.108 -1.108 -0.000) 1.567 31.804 ( 1.442 1.442 0.000) 2.039 31.868 ( 0.017 0.017 0.000) 0.024 50.993 ( 0.894 0.894 0.000) 1.264 51.060 ( 4.310 4.310 0.000) 6.095 51.883 ( -1.606 -1.606 -0.000) 2.271 53.330 ( -4.494 -4.494 -0.000) 6.355 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 7.592 7.592 0.000) 10.737 2.449 ( 3.823 3.823 0.000) 5.407 3.448 ( 7.701 7.701 0.000) 10.891 3.655 ( 5.291 5.291 0.000) 7.482 3.983 ( 1.152 1.152 0.000) 1.629 4.082 ( -7.317 -7.317 -0.000) 10.348 4.361 ( -1.628 -1.628 -0.000) 2.302 5.075 ( 59.655 59.655 0.000) 84.364 5.237 ( 21.603 21.603 0.000) 30.551 6.829 ( 5.700 5.700 0.000) 8.061 7.049 ( 21.666 21.666 0.000) 30.641 7.118 ( -8.408 -8.408 -0.000) 11.891 7.241 ( 2.414 2.414 0.000) 3.415 7.311 ( 18.634 18.634 0.000) 26.352 7.370 ( 4.667 4.667 0.000) 6.600 7.579 ( -2.019 -2.019 -0.000) 2.855 7.843 ( 21.975 21.975 0.000) 31.077 8.030 ( 4.538 4.538 0.000) 6.418 8.164 ( 3.760 3.760 0.000) 5.318 8.314 ( -7.064 -7.064 -0.000) 9.989 9.280 ( 8.614 8.614 0.000) 12.182 9.329 ( 6.676 6.676 0.000) 9.441 9.345 ( -19.102 -19.102 -0.000) 27.014 9.799 ( 1.609 1.609 0.000) 2.276 10.321 ( 8.127 8.127 0.000) 11.493 10.551 ( -4.230 -4.230 -0.000) 5.982 10.605 ( -7.450 -7.450 -0.000) 10.536 10.793 ( -0.841 -0.841 -0.000) 1.190 11.414 ( 4.767 4.767 0.000) 6.741 11.467 ( -0.545 -0.545 -0.000) 0.770 11.634 ( -1.019 -1.019 -0.000) 1.441 11.686 ( 11.420 11.420 0.000) 16.151 11.830 ( -1.558 -1.558 -0.000) 2.204 11.834 ( -2.812 -2.812 -0.000) 3.977 12.200 ( -22.024 -22.024 -0.000) 31.147 12.614 ( -0.885 -0.885 -0.000) 1.251 12.864 ( 4.386 4.386 0.000) 6.203 12.961 ( 7.150 7.150 0.000) 10.111 13.083 ( -1.192 -1.192 -0.000) 1.685 13.417 ( 6.435 6.435 0.000) 9.101 13.603 ( 7.739 7.739 0.000) 10.945 13.700 ( -6.849 -6.849 -0.000) 9.686 13.745 ( 4.390 4.390 0.000) 6.208 14.198 ( 2.720 2.720 0.000) 3.847 14.271 ( -1.793 -1.793 -0.000) 2.535 14.397 ( -1.668 -1.668 -0.000) 2.358 14.426 ( 2.945 2.945 0.000) 4.165 14.564 ( 0.322 0.322 0.000) 0.456 15.115 ( -11.088 -11.088 -0.000) 15.681 15.192 ( -6.868 -6.868 -0.000) 9.713 15.587 ( 2.801 2.801 0.000) 3.961 16.521 ( -10.201 -10.201 -0.000) 14.426 17.035 ( -12.142 -12.142 -0.000) 17.171 17.261 ( -4.509 -4.509 -0.000) 6.376 17.342 ( -4.674 -4.674 -0.000) 6.610 17.540 ( -0.032 -0.032 -0.000) 0.046 17.799 ( -3.344 -3.344 -0.000) 4.730 18.130 ( 3.490 3.490 0.000) 4.935 18.415 ( 1.561 1.561 0.000) 2.208 18.451 ( -5.922 -5.922 -0.000) 8.375 18.458 ( -0.728 -0.728 -0.000) 1.030 18.791 ( 1.004 1.004 0.000) 1.421 18.901 ( -2.471 -2.471 -0.000) 3.494 19.567 ( -16.680 -16.680 -0.000) 23.589 31.470 ( 0.825 0.825 0.000) 1.167 31.713 ( -1.917 -1.917 -0.000) 2.711 31.861 ( 1.263 1.263 0.000) 1.786 31.867 ( -0.027 -0.027 -0.000) 0.039 51.056 ( 2.513 2.513 0.000) 3.555 51.306 ( 8.601 8.601 0.000) 12.163 51.786 ( -3.560 -3.560 -0.000) 5.035 53.078 ( -8.658 -8.658 -0.000) 12.245 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -1.221 -1.221 -0.000) 1.727 2.328 ( -5.766 -5.766 -0.000) 8.154 3.799 ( 1.162 1.162 0.000) 1.644 3.804 ( 3.117 3.117 0.000) 4.409 3.906 ( -1.619 -1.619 -0.000) 2.290 3.978 ( -1.175 -1.175 -0.000) 1.662 4.642 ( 18.940 18.940 0.000) 26.785 6.015 ( 7.665 7.665 0.000) 10.840 6.710 ( -1.923 -1.923 -0.000) 2.720 6.923 ( 10.966 10.966 0.000) 15.508 7.115 ( -1.929 -1.929 -0.000) 2.728 7.246 ( 40.096 40.096 0.000) 56.704 7.392 ( -0.568 -0.568 -0.000) 0.804 7.693 ( 5.692 5.692 0.000) 8.049 7.954 ( 10.845 10.845 0.000) 15.337 7.998 ( 11.776 11.776 0.000) 16.654 8.099 ( -0.355 -0.355 -0.000) 0.502 8.214 ( 7.220 7.220 0.000) 10.211 8.250 ( 5.414 5.414 0.000) 7.657 8.628 ( -17.080 -17.080 -0.000) 24.155 8.837 ( 22.425 22.425 0.000) 31.714 9.573 ( 6.317 6.317 0.000) 8.934 9.671 ( 12.417 12.417 0.000) 17.560 9.884 ( 2.688 2.688 0.000) 3.801 10.262 ( -10.892 -10.892 -0.000) 15.403 10.332 ( -6.424 -6.424 -0.000) 9.086 10.632 ( 8.139 8.139 0.000) 11.511 10.650 ( -7.549 -7.549 -0.000) 10.676 11.086 ( -27.522 -27.522 -0.000) 38.921 11.269 ( -8.133 -8.133 -0.000) 11.502 11.611 ( -0.420 -0.420 -0.000) 0.594 11.682 ( 1.005 1.005 0.000) 1.421 11.721 ( -2.867 -2.867 -0.000) 4.054 11.785 ( -0.946 -0.946 -0.000) 1.338 12.132 ( 10.722 10.722 0.000) 15.163 12.540 ( -2.286 -2.286 -0.000) 3.233 12.988 ( 1.058 1.058 0.000) 1.496 13.001 ( -2.002 -2.002 -0.000) 2.831 13.366 ( 13.037 13.037 0.000) 18.437 13.592 ( 1.831 1.831 0.000) 2.589 13.707 ( 6.191 6.191 0.000) 8.755 13.893 ( 3.319 3.319 0.000) 4.693 13.896 ( 7.597 7.597 0.000) 10.744 14.147 ( -3.702 -3.702 -0.000) 5.235 14.221 ( -4.690 -4.690 -0.000) 6.632 14.375 ( 3.171 3.171 0.000) 4.484 14.495 ( 1.089 1.089 0.000) 1.540 14.600 ( 0.403 0.403 0.000) 0.570 14.648 ( -12.573 -12.573 -0.000) 17.781 14.900 ( -8.128 -8.128 -0.000) 11.495 15.700 ( 3.456 3.456 0.000) 4.888 16.150 ( -8.789 -8.789 -0.000) 12.430 16.641 ( -6.567 -6.567 -0.000) 9.287 16.983 ( -9.815 -9.815 -0.000) 13.880 17.208 ( -1.817 -1.817 -0.000) 2.570 17.407 ( -5.536 -5.536 -0.000) 7.829 17.808 ( 3.219 3.219 0.000) 4.552 18.215 ( -6.332 -6.332 -0.000) 8.954 18.306 ( 5.605 5.605 0.000) 7.926 18.443 ( -0.002 -0.002 -0.000) 0.004 18.463 ( 0.663 0.663 0.000) 0.937 18.758 ( -4.962 -4.962 -0.000) 7.017 18.817 ( 0.313 0.313 0.000) 0.443 19.031 ( -9.812 -9.812 -0.000) 13.876 31.507 ( 1.121 1.121 0.000) 1.586 31.634 ( -2.119 -2.119 -0.000) 2.997 31.869 ( 0.157 0.157 0.000) 0.222 31.888 ( 0.139 0.139 0.000) 0.197 51.191 ( 4.586 4.586 0.000) 6.486 51.614 ( -5.353 -5.353 -0.000) 7.570 51.704 ( 12.020 12.020 0.000) 16.999 52.682 ( -11.910 -11.910 -0.000) 16.843 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -3.663 -3.663 -0.000) 5.180 2.138 ( 3.663 3.663 0.000) 5.180 3.811 ( -0.365 -0.365 -0.000) 0.516 3.811 ( 0.365 0.365 0.000) 0.516 3.918 ( -1.539 -1.539 -0.000) 2.176 3.918 ( 1.539 1.539 0.000) 2.176 5.499 ( -22.520 -22.520 -0.000) 31.848 5.499 ( 22.520 22.520 0.000) 31.848 7.050 ( -1.677 -1.677 -0.000) 2.371 7.050 ( 1.677 1.677 0.000) 2.371 7.175 ( -12.613 -12.613 -0.000) 17.838 7.175 ( 12.613 12.613 0.000) 17.838 7.961 ( -8.921 -8.921 -0.000) 12.617 7.961 ( 8.921 8.921 0.000) 12.617 8.036 ( -0.551 -0.551 -0.000) 0.779 8.036 ( 0.551 0.551 0.000) 0.779 8.363 ( -0.125 -0.125 -0.000) 0.177 8.363 ( 0.125 0.125 0.000) 0.177 8.445 ( -8.881 -8.881 -0.000) 12.560 8.445 ( 8.881 8.881 0.000) 12.560 9.600 ( -18.713 -18.713 -0.000) 26.464 9.600 ( 18.713 18.713 0.000) 26.464 10.035 ( -21.627 -21.627 -0.000) 30.585 10.035 ( 21.627 21.627 0.000) 30.585 10.113 ( -4.772 -4.772 -0.000) 6.749 10.113 ( 4.772 4.772 0.000) 6.749 10.207 ( -14.508 -14.508 -0.000) 20.517 10.207 ( 14.508 14.508 0.000) 20.517 10.944 ( -8.346 -8.346 -0.000) 11.804 10.944 ( 8.346 8.346 0.000) 11.804 11.633 ( -1.583 -1.583 -0.000) 2.238 11.633 ( 1.583 1.583 0.000) 2.238 11.745 ( -1.330 -1.330 -0.000) 1.881 11.745 ( 1.330 1.330 0.000) 1.881 12.427 ( -4.611 -4.611 -0.000) 6.521 12.427 ( 4.611 4.611 0.000) 6.521 12.971 ( -0.529 -0.529 -0.000) 0.748 12.971 ( 0.529 0.529 0.000) 0.748 13.747 ( -3.694 -3.694 -0.000) 5.224 13.747 ( 3.694 3.694 0.000) 5.224 13.880 ( -12.654 -12.654 -0.000) 17.895 13.880 ( 12.654 12.654 0.000) 17.895 14.019 ( -3.236 -3.236 -0.000) 4.576 14.019 ( 3.236 3.236 0.000) 4.576 14.198 ( -8.902 -8.902 -0.000) 12.590 14.198 ( 8.902 8.902 0.000) 12.590 14.559 ( -2.156 -2.156 -0.000) 3.049 14.559 ( 2.156 2.156 0.000) 3.049 14.604 ( -6.904 -6.904 -0.000) 9.764 14.604 ( 6.904 6.904 0.000) 9.764 15.872 ( -5.782 -5.782 -0.000) 8.177 15.872 ( 5.782 5.782 0.000) 8.177 16.634 ( -6.090 -6.090 -0.000) 8.613 16.634 ( 6.090 6.090 0.000) 8.613 17.230 ( -2.985 -2.985 -0.000) 4.221 17.230 ( 2.985 2.985 0.000) 4.221 17.983 ( -5.607 -5.607 -0.000) 7.930 17.983 ( 5.607 5.607 0.000) 7.930 18.457 ( -0.637 -0.637 -0.000) 0.901 18.457 ( 0.637 0.637 0.000) 0.901 18.538 ( -6.260 -6.260 -0.000) 8.852 18.538 ( 6.260 6.260 0.000) 8.852 18.838 ( -1.540 -1.540 -0.000) 2.178 18.838 ( 1.540 1.540 0.000) 2.178 31.560 ( -1.688 -1.688 -0.000) 2.387 31.560 ( 1.688 1.688 0.000) 2.387 31.880 ( -0.391 -0.391 -0.000) 0.552 31.880 ( 0.391 0.391 0.000) 0.552 51.395 ( -5.845 -5.845 -0.000) 8.266 51.395 ( 5.845 5.845 0.000) 8.266 52.194 ( -13.274 -13.274 -0.000) 18.772 52.194 ( 13.274 13.274 0.000) 18.772 ======================= Grid point 9 (6/75) ======================= q-point: (-0.39 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 0.000 -6.470 -4.260) 7.747 3.145 ( 0.000 -1.265 -1.940) 2.316 3.278 ( -0.000 -22.919 14.752) 27.256 3.334 ( -0.000 6.993 0.800) 7.039 3.491 ( 0.000 -9.837 -26.059) 27.854 3.972 ( 0.000 -7.966 -9.910) 12.714 4.459 ( 0.000 -4.977 -0.822) 5.044 4.909 ( 0.000 -8.184 3.143) 8.767 5.117 ( -0.000 26.629 9.042) 28.123 6.128 ( 0.000 5.084 -10.790) 11.928 6.676 ( 0.000 -10.723 -15.301) 18.684 6.984 ( 0.000 0.131 -5.328) 5.329 7.345 ( 0.000 -7.002 3.709) 7.923 7.481 ( -0.000 -5.513 4.099) 6.870 7.584 ( -0.000 -15.137 9.267) 17.748 7.898 ( -0.000 -9.320 9.834) 13.549 8.222 ( -0.000 -6.588 4.640) 8.058 8.270 ( 0.000 -7.101 -6.043) 9.324 8.323 ( 0.000 -16.868 -4.441) 17.442 8.438 ( 0.000 -5.603 -6.946) 8.924 8.769 ( 0.000 -19.382 3.915) 19.773 9.349 ( -0.000 12.424 7.238) 14.379 9.511 ( 0.000 14.153 -11.793) 18.423 10.037 ( 0.000 -0.848 -6.181) 6.239 10.182 ( -0.000 1.947 5.027) 5.391 10.575 ( 0.000 -6.039 -8.900) 10.755 10.675 ( -0.000 3.139 2.663) 4.116 10.850 ( 0.000 2.141 -2.786) 3.514 11.202 ( -0.000 15.289 12.572) 19.794 11.509 ( 0.000 -4.019 1.281) 4.218 11.632 ( 0.000 -7.366 1.304) 7.480 11.730 ( 0.000 -11.800 -1.049) 11.847 11.989 ( 0.000 3.425 -4.842) 5.931 12.048 ( -0.000 7.710 3.576) 8.499 12.286 ( -0.000 12.642 3.243) 13.051 12.353 ( 0.000 -10.592 -11.495) 15.631 12.851 ( -0.000 -1.613 1.819) 2.431 12.884 ( 0.000 10.537 -6.833) 12.559 13.181 ( 0.000 -5.347 -5.204) 7.462 13.211 ( -0.000 -3.918 13.933) 14.473 13.589 ( -0.000 0.591 0.710) 0.923 13.730 ( 0.000 -11.093 -3.323) 11.579 13.840 ( -0.000 0.604 2.270) 2.349 13.980 ( -0.000 4.691 -0.247) 4.698 14.071 ( -0.000 5.830 1.888) 6.128 14.477 ( -0.000 7.867 -2.035) 8.126 14.738 ( -0.000 4.758 4.395) 6.478 14.875 ( 0.000 -0.281 -19.823) 19.825 15.191 ( 0.000 -16.852 -7.561) 18.471 15.213 ( -0.000 -1.869 16.222) 16.330 15.852 ( 0.000 3.160 -4.626) 5.602 16.279 ( -0.000 19.001 5.678) 19.831 16.852 ( -0.000 13.579 -0.075) 13.579 17.378 ( 0.000 -0.031 -0.129) 0.133 17.491 ( -0.000 1.350 0.150) 1.358 17.643 ( 0.000 -0.667 -0.489) 0.828 18.057 ( 0.000 -0.025 -1.406) 1.406 18.183 ( 0.000 -0.158 -2.597) 2.602 18.328 ( -0.000 0.344 2.255) 2.281 18.410 ( 0.000 -1.030 -0.685) 1.237 18.556 ( -0.000 3.429 3.260) 4.732 18.632 ( -0.000 0.798 2.358) 2.490 18.767 ( -0.000 -1.059 2.746) 2.944 19.038 ( -0.000 13.350 4.334) 14.036 31.531 ( 0.000 -1.751 -1.561) 2.346 31.730 ( -0.000 2.445 0.081) 2.447 31.846 ( -0.000 -0.436 0.584) 0.729 31.965 ( 0.000 -3.448 0.765) 3.532 51.016 ( -0.000 -1.330 0.808) 1.556 51.226 ( 0.000 -9.369 1.669) 9.517 51.595 ( -0.000 10.009 -0.971) 10.056 52.854 ( -0.000 -5.445 9.343) 10.814 ======================= Grid point 10 (7/75) ======================= q-point: (-0.39 -0.01 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -0.663 -13.758 -6.383) 15.181 2.731 ( 1.818 -17.918 -27.379) 32.771 3.208 ( -11.472 8.369 6.020) 15.423 3.503 ( -1.346 4.178 1.736) 4.721 3.660 ( 18.360 -3.137 -2.208) 18.757 4.010 ( 2.354 -11.063 -4.453) 12.156 4.335 ( 27.956 -25.839 -17.465) 41.883 4.885 ( 20.715 -3.580 -3.162) 21.259 5.772 ( 5.844 -7.741 -12.724) 16.000 6.211 ( 21.729 4.893 -4.137) 22.654 6.582 ( 4.910 -0.627 9.606) 10.807 6.965 ( -0.374 -9.996 4.156) 10.832 7.069 ( -2.805 -6.093 -5.164) 8.465 7.318 ( 4.019 -1.450 5.251) 6.770 7.485 ( -12.391 -30.566 2.155) 33.052 7.604 ( 4.633 -1.518 2.041) 5.285 7.789 ( 3.180 -5.472 11.081) 12.761 8.094 ( 6.337 -23.575 1.066) 24.435 8.321 ( -1.277 3.086 -10.286) 10.815 8.340 ( -2.188 3.245 -7.467) 8.430 8.795 ( 11.674 3.500 -0.833) 12.215 9.314 ( 0.555 -12.394 5.840) 13.712 9.701 ( -13.481 17.111 -2.054) 21.880 10.022 ( -1.488 0.428 -10.099) 10.217 10.262 ( -1.045 4.998 5.040) 7.175 10.561 ( 8.079 -2.678 -7.353) 11.247 10.676 ( -7.961 6.672 2.717) 10.736 10.853 ( -0.765 -2.328 0.339) 2.473 11.348 ( 0.716 -2.203 5.193) 5.686 11.414 ( 0.508 -4.559 2.019) 5.012 11.565 ( 7.914 -9.576 -6.291) 13.925 11.751 ( 8.797 8.579 0.204) 12.290 12.040 ( -3.867 4.210 -4.982) 7.583 12.090 ( -5.805 -5.478 -4.584) 9.205 12.203 ( 2.911 0.251 7.433) 7.986 12.447 ( -8.940 9.261 5.571) 14.026 12.828 ( 0.465 0.386 3.054) 3.113 12.996 ( 2.796 -3.230 -1.198) 4.437 13.101 ( 2.481 -4.768 -6.051) 8.094 13.198 ( -1.634 5.081 7.356) 9.088 13.569 ( -3.518 -0.507 -12.326) 12.829 13.639 ( 3.770 -0.493 0.516) 3.837 13.895 ( 4.640 0.975 3.801) 6.077 13.995 ( -10.056 9.659 -4.322) 14.598 14.254 ( 1.042 5.544 4.214) 7.041 14.414 ( -3.018 -5.918 4.479) 8.012 14.810 ( -0.983 3.002 -11.289) 11.723 14.924 ( -1.470 -8.404 -9.506) 12.774 15.052 ( 6.962 8.042 -5.420) 11.938 15.184 ( 2.035 -3.448 15.159) 15.679 15.751 ( -16.827 6.850 -9.852) 20.667 16.582 ( -6.408 15.928 5.529) 18.037 17.144 ( -2.206 17.103 0.515) 17.253 17.341 ( -4.442 0.986 0.087) 4.551 17.512 ( -0.299 0.410 -1.148) 1.255 17.560 ( -6.113 0.054 -2.481) 6.597 17.929 ( -8.414 0.875 -0.641) 8.484 18.219 ( 1.924 0.048 -5.093) 5.445 18.307 ( 1.540 -2.994 3.211) 4.653 18.445 ( -0.577 4.092 0.958) 4.242 18.527 ( -5.125 0.547 2.396) 5.684 18.700 ( 3.581 1.080 3.195) 4.920 18.770 ( 1.126 -1.608 5.546) 5.883 19.337 ( 3.308 9.366 12.361) 15.857 31.504 ( 0.215 -1.073 -2.052) 2.325 31.779 ( -0.296 2.722 -1.095) 2.949 31.831 ( -0.147 -0.818 1.188) 1.450 31.859 ( -2.357 -3.160 -0.387) 3.962 50.994 ( 1.657 -2.433 1.146) 3.159 51.114 ( 4.600 -7.292 2.435) 8.959 51.829 ( 4.807 7.393 -1.682) 8.977 52.632 ( -0.725 -12.865 15.659) 20.279 ======================= Grid point 13 (8/75) ======================= q-point: (-0.39 -0.01 0.51) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 4.524 -23.245 6.229) 24.487 3.097 ( -0.244 -4.870 2.520) 5.489 3.233 ( 0.775 -6.441 -1.661) 6.697 3.354 ( -1.368 3.740 7.569) 8.553 4.022 ( 10.182 -14.002 -4.623) 17.919 4.353 ( 1.446 -6.707 3.073) 7.518 4.658 ( 6.936 45.843 -11.758) 47.832 4.974 ( -1.862 34.155 10.940) 35.912 5.488 ( -4.820 45.055 0.632) 45.317 6.064 ( -2.700 3.215 0.221) 4.205 6.721 ( 2.218 -1.515 -22.465) 22.625 7.219 ( -3.403 9.426 -0.918) 10.064 7.282 ( -8.605 -8.576 2.426) 12.389 7.486 ( 6.595 13.480 8.003) 17.007 7.844 ( -5.437 -4.958 -2.418) 7.746 8.018 ( 14.742 2.399 0.880) 14.962 8.251 ( 2.917 -4.967 5.810) 8.181 8.502 ( 9.153 -1.173 -2.082) 9.460 8.569 ( -6.092 15.833 2.059) 17.089 8.608 ( 0.616 -1.518 -1.137) 1.994 8.822 ( -11.576 -5.936 -3.211) 13.399 8.940 ( -2.559 -5.665 7.280) 9.573 9.634 ( 11.495 6.997 0.937) 13.490 10.056 ( 2.100 -0.671 -4.088) 4.645 10.092 ( -4.478 -3.100 -3.511) 6.480 10.490 ( -1.421 -10.087 1.011) 10.237 10.756 ( 4.478 2.396 -4.655) 6.889 10.832 ( -0.702 2.015 -3.983) 4.519 10.958 ( -10.333 1.526 7.515) 12.867 11.514 ( -1.975 -1.712 -1.797) 3.172 11.698 ( -5.453 -2.302 -2.469) 6.413 11.902 ( -0.094 0.814 -3.705) 3.794 11.961 ( 6.521 -0.960 -1.673) 6.801 11.987 ( 5.271 1.739 -1.150) 5.669 12.160 ( -4.639 4.969 10.214) 12.269 12.525 ( 5.397 -0.528 -15.739) 16.647 12.720 ( -1.853 -0.825 -0.278) 2.048 12.876 ( -0.673 0.324 6.579) 6.621 13.235 ( 1.018 -2.260 15.478) 15.675 13.255 ( 1.569 -0.669 -2.420) 2.961 13.611 ( -0.218 3.643 0.489) 3.683 13.749 ( -1.316 -9.351 -0.182) 9.445 13.848 ( -0.281 1.946 1.128) 2.267 13.898 ( 4.302 -1.168 3.842) 5.885 14.188 ( -5.471 8.716 -2.666) 10.631 14.310 ( 6.553 -2.341 1.839) 7.198 14.645 ( -3.212 -4.835 0.691) 5.846 14.910 ( -1.606 3.701 -19.830) 20.236 15.260 ( 0.678 3.042 14.456) 14.788 15.420 ( 5.262 -11.418 -1.521) 12.664 15.666 ( 1.290 -3.663 -4.884) 6.239 16.005 ( -4.853 -4.256 2.864) 7.062 16.686 ( -0.253 -2.206 -0.533) 2.283 17.308 ( -0.008 -6.744 -0.096) 6.745 17.490 ( 0.139 -0.031 0.838) 0.850 17.576 ( 1.203 -7.956 1.132) 8.126 17.943 ( 0.556 -8.472 -1.101) 8.561 18.196 ( -0.336 -0.188 0.618) 0.728 18.321 ( -0.221 1.411 -0.438) 1.493 18.439 ( 0.602 -3.326 -0.230) 3.388 18.493 ( -0.927 1.382 0.544) 1.751 18.614 ( -1.589 1.139 -0.147) 1.961 18.820 ( -1.517 3.245 0.721) 3.654 18.907 ( -1.967 2.344 -0.415) 3.088 31.556 ( 1.096 -0.532 -0.080) 1.221 31.698 ( -0.354 -0.184 -0.077) 0.407 31.846 ( -0.202 -0.222 0.189) 0.354 31.959 ( 0.028 -3.691 0.618) 3.743 51.050 ( -0.291 2.736 0.012) 2.751 51.409 ( -4.213 2.704 -0.264) 5.013 51.515 ( 3.907 8.194 0.167) 9.080 52.801 ( -3.702 -6.688 1.649) 7.821 ======================= Grid point 14 (9/75) ======================= q-point: ( 0.61 -0.01 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 17.171 -10.625 8.171) 21.783 2.926 ( -6.684 -6.012 6.122) 10.876 3.202 ( 3.575 -0.977 7.010) 7.929 3.319 ( -2.657 -3.287 7.361) 8.488 3.883 ( 7.245 -8.223 3.736) 11.579 4.209 ( 1.019 -9.048 5.430) 10.601 5.256 ( -23.457 36.590 -11.992) 45.088 5.870 ( 4.886 35.745 4.761) 36.390 6.219 ( 7.778 7.515 -2.278) 11.053 6.477 ( 2.924 43.807 -1.674) 43.937 6.761 ( -8.505 1.016 -23.154) 24.687 6.923 ( -3.642 2.380 -8.405) 9.464 7.251 ( -11.126 14.748 14.639) 23.571 7.564 ( -25.567 -1.829 7.396) 26.678 7.751 ( -18.565 2.950 9.640) 21.125 7.990 ( -6.236 9.091 0.189) 11.026 8.073 ( -18.769 5.077 -5.806) 20.292 8.300 ( 9.091 -9.020 15.620) 20.199 8.494 ( -10.893 -2.190 0.394) 11.118 8.663 ( 2.195 -1.936 -2.502) 3.850 8.910 ( 0.404 16.613 -5.258) 17.430 9.167 ( 14.945 5.392 6.229) 17.065 9.600 ( -16.384 -1.367 -1.591) 16.518 10.001 ( -0.578 -4.745 -2.237) 5.278 10.099 ( 3.300 -0.218 0.772) 3.396 10.342 ( 1.994 -8.448 -2.402) 9.006 10.694 ( 6.595 -7.983 -2.872) 10.746 10.889 ( -3.774 4.326 0.178) 5.743 11.080 ( 14.028 2.450 -8.078) 16.372 11.394 ( -5.254 -3.751 -5.306) 8.356 11.527 ( 3.859 -9.487 -2.839) 10.628 11.904 ( 3.710 -3.987 -2.121) 5.845 11.997 ( -1.814 -0.189 -10.371) 10.530 12.152 ( -5.274 9.474 11.849) 16.062 12.223 ( 0.263 6.153 5.113) 8.005 12.496 ( -5.448 0.976 -8.335) 10.005 12.774 ( 6.543 -3.904 -2.063) 7.894 12.863 ( 0.304 0.487 9.942) 9.958 13.209 ( 0.886 -1.570 12.689) 12.817 13.236 ( 0.902 -2.254 0.744) 2.539 13.586 ( -3.169 -1.075 0.754) 3.431 13.722 ( -0.469 5.036 -0.355) 5.070 13.909 ( 2.018 3.171 -0.683) 3.820 13.947 ( 3.900 -2.470 11.206) 12.120 14.145 ( -2.050 0.487 -4.236) 4.732 14.369 ( -5.064 -4.957 0.194) 7.089 14.643 ( 13.333 1.083 -1.774) 13.494 14.913 ( -4.455 -0.065 -17.152) 17.721 15.091 ( -1.624 -12.860 2.142) 13.138 15.376 ( 2.530 5.426 10.430) 12.026 15.624 ( -2.468 -6.636 6.206) 9.415 15.989 ( 12.141 -7.672 -8.717) 16.801 16.781 ( 13.501 -2.660 0.505) 13.769 17.136 ( 1.383 -12.720 -1.105) 12.843 17.426 ( 2.719 -7.596 2.423) 8.424 17.482 ( 3.887 -5.752 1.020) 7.017 17.836 ( -1.358 -1.284 1.295) 2.274 18.181 ( 2.935 -3.234 -3.788) 5.781 18.357 ( -1.533 -1.184 1.702) 2.578 18.368 ( -0.293 2.030 1.104) 2.329 18.507 ( -1.088 0.730 0.617) 1.449 18.631 ( 0.053 1.526 -4.058) 4.336 18.803 ( -2.553 1.169 -0.271) 2.821 18.995 ( 7.097 -2.614 -4.502) 8.802 31.556 ( 0.101 -0.291 1.648) 1.677 31.703 ( 2.550 -2.034 -0.743) 3.346 31.837 ( -0.569 0.389 0.215) 0.722 31.872 ( -1.668 -2.068 0.588) 2.721 51.108 ( -2.787 5.746 0.213) 6.389 51.317 ( -8.861 4.685 -3.193) 10.519 51.860 ( 8.457 9.102 3.643) 12.947 52.518 ( -7.239 -8.540 -5.292) 12.383 ======================= Grid point 17 (10/75) ======================= q-point: ( 0.22 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -0.000 36.058 24.685) 43.698 2.227 ( -0.000 46.501 17.973) 49.854 3.360 ( 0.000 10.047 -17.115) 19.846 3.544 ( 0.000 -10.934 -0.905) 10.971 3.664 ( 0.000 -8.732 -8.661) 12.299 3.753 ( -0.000 25.214 6.244) 25.975 3.968 ( -0.000 17.772 2.669) 17.971 4.635 ( -0.000 11.632 3.668) 12.197 5.597 ( -0.000 -13.736 39.919) 42.216 5.644 ( 0.000 -14.737 -2.553) 14.957 6.734 ( 0.000 8.140 -11.770) 14.311 6.846 ( -0.000 -4.312 8.945) 9.930 6.999 ( -0.000 12.055 2.512) 12.314 7.316 ( 0.000 12.377 -11.211) 16.700 7.515 ( -0.000 38.229 9.194) 39.319 7.780 ( 0.000 -2.901 -5.573) 6.283 7.838 ( -0.000 27.000 7.945) 28.144 8.118 ( -0.000 -4.600 7.334) 8.658 8.188 ( -0.000 4.174 6.634) 7.838 8.356 ( 0.000 -11.010 -12.277) 16.490 8.650 ( 0.000 -0.537 -6.178) 6.201 9.404 ( -0.000 12.397 -2.034) 12.563 9.800 ( 0.000 -22.765 1.321) 22.803 9.845 ( -0.000 1.933 7.528) 7.772 10.237 ( -0.000 8.980 9.098) 12.783 10.436 ( 0.000 -8.421 -5.386) 9.996 10.800 ( -0.000 0.015 3.488) 3.488 10.800 ( 0.000 -4.672 -1.213) 4.827 11.378 ( -0.000 8.404 3.008) 8.926 11.414 ( -0.000 11.293 -1.220) 11.358 11.449 ( -0.000 10.133 -0.815) 10.165 11.704 ( 0.000 -8.280 -2.610) 8.681 11.919 ( -0.000 -9.342 15.435) 18.042 12.033 ( -0.000 4.936 3.356) 5.968 12.374 ( 0.000 -4.017 -12.068) 12.719 12.623 ( 0.000 -18.336 -1.325) 18.384 12.885 ( -0.000 -6.680 8.802) 11.050 12.886 ( 0.000 3.399 -3.006) 4.537 12.945 ( -0.000 3.203 4.965) 5.909 13.330 ( 0.000 7.397 -8.760) 11.465 13.479 ( -0.000 10.636 -0.865) 10.671 13.589 ( -0.000 1.352 0.286) 1.382 13.935 ( 0.000 -0.838 -6.086) 6.144 14.085 ( 0.000 -8.731 4.615) 9.875 14.235 ( 0.000 -7.236 -0.790) 7.279 14.475 ( -0.000 -0.194 19.411) 19.412 14.545 ( 0.000 3.045 -4.417) 5.365 14.582 ( -0.000 7.277 14.393) 16.128 15.187 ( 0.000 -8.939 -12.412) 15.296 15.418 ( 0.000 3.062 -9.051) 9.555 15.744 ( -0.000 -0.807 9.753) 9.786 16.709 ( 0.000 -16.501 -1.607) 16.579 17.168 ( 0.000 -18.116 0.126) 18.116 17.373 ( -0.000 -0.075 0.262) 0.272 17.497 ( -0.000 1.544 0.036) 1.545 17.617 ( -0.000 1.337 0.043) 1.337 18.028 ( -0.000 -0.422 1.457) 1.517 18.086 ( -0.000 1.501 4.052) 4.321 18.355 ( 0.000 2.066 -2.528) 3.265 18.445 ( 0.000 -3.321 -0.078) 3.322 18.652 ( 0.000 -1.776 -1.257) 2.176 18.705 ( 0.000 -1.188 -2.310) 2.597 18.865 ( 0.000 -1.495 -4.950) 5.171 19.535 ( 0.000 -19.530 -13.684) 23.847 31.470 ( -0.000 1.454 1.119) 1.835 31.761 ( 0.000 -1.624 0.818) 1.818 31.858 ( 0.000 0.226 -1.011) 1.036 31.903 ( -0.000 5.284 -1.645) 5.534 51.006 ( -0.000 1.589 -0.924) 1.838 51.100 ( -0.000 6.866 -1.252) 6.979 51.755 ( 0.000 -7.969 0.453) 7.982 53.033 ( 0.000 7.753 -22.225) 23.538 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.22 -0.03 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -18.452 13.912 1.361) 23.149 2.994 ( -7.413 25.448 -2.484) 26.622 3.309 ( -7.552 -1.663 -7.692) 10.907 3.486 ( 12.552 -2.523 0.059) 12.804 3.652 ( 8.038 6.792 -3.911) 11.227 4.073 ( 9.907 8.498 4.828) 13.917 4.507 ( 22.308 6.893 1.183) 23.379 4.905 ( 8.473 2.524 15.138) 17.530 5.734 ( 22.204 13.670 3.855) 26.358 5.951 ( 36.865 -0.761 2.677) 36.970 6.577 ( 4.901 -16.960 -2.023) 17.769 6.995 ( 19.932 3.164 15.060) 25.182 7.318 ( -8.373 11.776 1.565) 14.534 7.452 ( -5.114 3.815 -4.210) 7.643 7.727 ( -5.636 9.519 -4.728) 12.030 7.993 ( -0.951 2.010 -8.825) 9.101 8.123 ( -5.796 13.569 0.536) 14.765 8.188 ( 1.276 5.085 9.036) 10.447 8.295 ( -2.979 27.201 -2.855) 27.512 8.557 ( 7.663 16.939 2.108) 18.711 8.904 ( 9.626 12.122 -5.160) 16.316 9.220 ( -11.099 -22.998 1.561) 25.584 9.540 ( 3.047 0.332 -2.802) 4.153 9.883 ( -0.134 2.297 6.654) 7.041 10.219 ( -0.178 -11.733 -2.013) 11.906 10.473 ( 4.773 4.593 6.970) 9.615 10.633 ( -7.286 -2.267 -1.808) 7.842 10.805 ( 2.079 -2.791 3.765) 5.127 11.446 ( 0.296 -10.742 -8.662) 13.802 11.487 ( -0.427 1.204 1.247) 1.785 11.684 ( 3.074 5.975 1.115) 6.812 11.733 ( 0.531 8.523 2.606) 8.928 11.821 ( -0.232 3.470 6.938) 7.761 11.988 ( -8.592 -14.452 1.930) 16.924 12.130 ( -2.133 -1.964 9.568) 9.997 12.471 ( 3.143 -0.171 -11.969) 12.376 12.759 ( 1.235 -5.870 3.056) 6.732 12.990 ( 5.305 2.258 -6.336) 8.566 13.069 ( 2.349 5.380 7.621) 9.620 13.433 ( -3.175 6.410 -7.195) 10.145 13.651 ( 3.671 2.866 -3.755) 5.982 13.719 ( -4.557 7.948 -4.791) 10.339 13.849 ( -6.870 3.672 -2.069) 8.060 13.964 ( 4.461 -2.212 -6.260) 7.999 14.221 ( 6.681 -3.700 -0.935) 7.694 14.352 ( -4.481 -7.559 5.651) 10.448 14.559 ( 5.791 -2.575 16.247) 17.439 14.741 ( -1.103 1.012 5.252) 5.462 15.069 ( -5.635 5.703 -0.985) 8.077 15.476 ( 0.053 1.617 -8.114) 8.274 15.600 ( -13.690 1.410 4.494) 14.477 16.335 ( -2.722 -17.608 -2.761) 18.030 16.823 ( -1.952 -14.247 0.401) 14.386 17.317 ( -5.468 -1.123 0.292) 5.590 17.519 ( 0.240 -0.291 -1.161) 1.221 17.557 ( -9.114 2.296 -0.345) 9.405 17.898 ( -8.441 0.020 1.462) 8.567 18.170 ( 2.765 3.056 2.126) 4.637 18.365 ( -0.585 -4.038 -0.689) 4.138 18.413 ( 0.354 1.891 -1.037) 2.185 18.537 ( -4.997 -1.695 -0.779) 5.334 18.692 ( 2.253 -4.205 -1.065) 4.888 18.865 ( 1.632 -0.343 -2.685) 3.161 19.175 ( 3.484 -21.054 -3.830) 21.681 31.505 ( -0.160 2.186 0.866) 2.357 31.722 ( -0.768 -1.667 0.336) 1.866 31.857 ( -0.078 -0.116 -0.643) 0.658 31.945 ( -3.927 3.332 -1.217) 5.292 51.045 ( 1.900 1.146 -0.366) 2.249 51.314 ( 5.869 9.339 -1.509) 11.133 51.626 ( 4.173 -10.412 1.310) 11.293 52.990 ( -6.722 -4.226 -9.133) 12.102 ======================= Grid point 19 (12/75) ======================= q-point: ( 0.22 -0.03 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -15.943 11.028 -6.225) 20.360 2.857 ( -22.820 8.245 6.755) 25.186 3.408 ( 8.247 -0.224 -22.621) 24.078 3.636 ( 4.574 -1.039 -6.959) 8.392 3.826 ( -3.008 7.480 -5.508) 9.764 4.184 ( -11.524 5.805 -1.271) 12.966 5.041 ( 23.043 6.966 25.999) 35.432 5.586 ( 32.202 4.571 8.580) 33.638 6.361 ( 26.742 -12.255 -2.968) 29.566 6.414 ( 18.101 -6.315 7.005) 20.411 6.776 ( 53.120 -8.581 -7.237) 54.293 6.921 ( -9.569 -10.141 7.361) 15.766 7.525 ( 14.682 -1.716 -3.031) 15.090 7.779 ( 6.978 16.718 -0.783) 18.133 7.878 ( -1.635 4.299 -9.819) 10.843 8.072 ( 2.840 21.174 1.920) 21.450 8.267 ( -7.116 10.599 -0.771) 12.790 8.335 ( -4.185 5.349 4.059) 7.912 8.479 ( -6.905 -8.559 0.119) 10.998 8.649 ( -6.506 -4.474 -0.915) 7.949 8.877 ( 7.797 -1.807 1.730) 8.188 9.177 ( 16.563 -3.669 -7.729) 18.642 9.758 ( 4.069 -5.117 0.232) 6.542 9.985 ( 1.662 -0.524 2.957) 3.432 9.999 ( 2.851 13.539 2.093) 13.993 10.332 ( -8.933 -5.264 -1.566) 10.486 10.651 ( -8.495 -11.234 1.462) 14.161 10.773 ( 5.237 6.084 7.034) 10.673 11.039 ( -9.664 -14.539 -4.187) 17.953 11.396 ( -4.000 -6.572 5.326) 9.357 11.509 ( -8.818 -3.188 -0.066) 9.377 11.786 ( -3.238 0.319 9.794) 10.320 11.799 ( -2.346 3.472 1.594) 4.483 12.102 ( 1.683 5.178 7.873) 9.572 12.161 ( 3.899 9.389 5.073) 11.362 12.529 ( 0.168 0.914 -7.925) 7.979 12.751 ( 5.295 -2.506 -6.096) 8.454 13.111 ( -2.233 3.835 0.383) 4.454 13.206 ( 8.537 -0.095 -8.505) 12.051 13.501 ( 0.270 3.754 -11.150) 11.768 13.642 ( -1.743 0.915 -0.232) 1.982 13.757 ( 5.571 -1.567 -4.837) 7.542 13.933 ( 0.428 1.046 -5.675) 5.787 14.018 ( -0.088 3.093 -7.900) 8.484 14.148 ( -1.970 -4.419 2.968) 5.677 14.373 ( 3.926 7.609 1.784) 8.746 14.542 ( -5.971 -9.404 0.328) 11.144 14.621 ( 5.068 -2.728 17.275) 18.209 15.087 ( -17.503 7.356 2.393) 19.136 15.287 ( -12.670 6.389 8.802) 16.698 15.603 ( 4.994 2.166 -4.954) 7.360 16.004 ( -3.404 -10.576 -3.104) 11.535 16.634 ( -2.135 0.661 0.159) 2.241 17.117 ( -12.788 -1.315 0.340) 12.860 17.408 ( -11.017 4.099 -0.780) 11.781 17.453 ( -6.021 -0.653 -0.913) 6.124 17.833 ( 0.006 2.415 0.539) 2.475 18.183 ( -4.016 -5.256 -0.873) 6.672 18.330 ( 2.676 3.975 0.689) 4.841 18.429 ( -0.538 -0.378 -2.364) 2.454 18.494 ( -0.025 1.477 1.295) 1.965 18.638 ( 1.917 -5.450 0.855) 5.841 18.875 ( -0.585 -0.920 -0.726) 1.310 18.906 ( -1.168 -7.281 0.194) 7.377 31.544 ( -0.398 2.516 0.102) 2.549 31.670 ( -2.437 -0.455 0.441) 2.518 31.853 ( 0.351 -0.395 -0.463) 0.702 31.906 ( -2.717 -0.041 -0.813) 2.836 51.134 ( 5.931 0.317 0.027) 5.940 51.459 ( 2.405 -9.348 0.215) 9.655 51.710 ( 11.626 9.836 0.109) 15.229 52.669 ( -11.550 -9.928 -2.288) 15.402 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.22 -0.03 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -13.248 13.248 -5.736) 19.594 2.683 ( -14.305 14.305 9.234) 22.237 3.513 ( 3.269 -3.269 -16.402) 17.041 3.633 ( 1.589 -1.589 -17.617) 17.760 3.902 ( -2.796 2.796 -9.934) 10.692 4.055 ( -9.794 9.794 -0.851) 13.876 5.554 ( 18.532 -18.532 20.575) 33.320 5.751 ( 0.564 -0.564 26.819) 26.831 6.291 ( 10.243 -10.243 -3.527) 14.909 6.502 ( 7.302 -7.302 5.760) 11.825 7.232 ( 8.749 -8.749 -7.513) 14.476 7.284 ( 22.345 -22.345 -4.975) 31.990 7.663 ( 11.484 -11.484 -2.117) 16.378 7.875 ( 9.604 -9.604 -4.582) 14.335 7.960 ( 4.131 -4.131 -2.994) 6.565 7.961 ( 8.672 -8.672 6.708) 13.978 8.317 ( 2.095 -2.095 -13.088) 13.420 8.365 ( -12.309 12.309 -6.835) 18.701 8.454 ( 1.779 -1.779 -0.671) 2.604 8.462 ( -4.623 4.623 5.140) 8.317 9.107 ( 11.352 -11.352 -0.856) 16.077 9.466 ( 10.064 -10.064 12.787) 19.133 9.676 ( 8.526 -8.526 -10.861) 16.228 9.842 ( 2.193 -2.193 0.551) 3.150 10.120 ( -1.012 1.012 0.014) 1.431 10.135 ( -1.920 1.920 3.804) 4.674 10.546 ( -10.574 10.574 -2.909) 15.234 10.749 ( -12.395 12.395 5.263) 18.302 11.003 ( -1.411 1.411 2.671) 3.335 11.140 ( -2.535 2.535 8.333) 9.072 11.410 ( 1.904 -1.904 -0.449) 2.730 11.740 ( 1.704 -1.704 13.003) 13.225 11.814 ( -3.259 3.259 0.481) 4.634 12.122 ( -4.122 4.122 14.111) 15.268 12.410 ( 0.064 -0.064 -4.407) 4.408 12.493 ( -1.766 1.766 -2.439) 3.491 12.788 ( 3.655 -3.655 -8.659) 10.084 13.103 ( -4.188 4.188 3.211) 6.737 13.318 ( 4.686 -4.686 -21.913) 22.893 13.539 ( 1.326 -1.326 -17.068) 17.170 13.657 ( 4.602 -4.602 -0.653) 6.540 13.805 ( 2.888 -2.888 -1.412) 4.322 13.976 ( 1.377 -1.377 -3.126) 3.683 14.060 ( -0.514 0.513 -0.815) 1.092 14.061 ( 1.692 -1.692 5.656) 6.141 14.321 ( -4.663 4.663 -4.967) 8.256 14.567 ( 5.250 -5.250 16.406) 18.008 14.641 ( -4.198 4.198 1.876) 6.227 14.855 ( -11.151 11.151 -1.607) 15.852 15.272 ( -11.310 11.310 14.194) 21.385 15.744 ( 2.400 -2.400 -5.710) 6.643 15.810 ( 0.128 -0.128 -1.163) 1.177 16.742 ( -6.991 6.991 -2.590) 10.221 16.858 ( -7.726 7.726 2.983) 11.326 17.338 ( -5.739 5.739 -1.747) 8.302 17.368 ( -6.109 6.109 -0.160) 8.642 17.909 ( 2.047 -2.047 -2.810) 4.034 18.039 ( -1.503 1.503 3.506) 4.100 18.407 ( 0.291 -0.291 -3.161) 3.188 18.433 ( 0.277 -0.277 -2.190) 2.225 18.524 ( 1.123 -1.123 0.843) 1.798 18.573 ( 1.296 -1.296 4.000) 4.400 18.825 ( 0.750 -0.750 -0.359) 1.120 18.865 ( -2.275 2.275 1.999) 3.788 31.576 ( -0.977 0.977 -1.204) 1.833 31.629 ( -2.491 2.491 1.372) 3.781 31.862 ( 0.456 -0.456 -0.729) 0.974 31.866 ( 0.332 -0.332 -0.436) 0.640 51.246 ( 5.375 -5.375 -1.456) 7.740 51.333 ( 4.794 -4.794 3.050) 7.435 52.098 ( 1.336 -1.336 -5.543) 5.856 52.287 ( -1.300 1.300 4.517) 4.877 ======================= Grid point 26 (14/75) ======================= q-point: ( 0.22 -0.03 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -22.666 22.666 33.862) 46.627 1.820 ( -29.574 29.574 15.533) 44.615 2.855 ( -58.151 58.151 24.108) 85.698 3.563 ( 12.785 -12.785 -3.928) 18.502 3.633 ( 5.372 -5.372 -5.051) 9.122 3.855 ( 0.416 -0.416 -11.545) 11.560 3.877 ( -2.749 2.749 -1.336) 4.110 4.615 ( -13.333 13.333 1.474) 18.914 5.593 ( 18.779 -18.779 20.603) 33.612 6.225 ( -14.207 14.207 2.153) 20.207 6.480 ( -10.624 10.624 0.662) 15.039 6.788 ( 2.171 -2.171 26.042) 26.222 6.977 ( -6.794 6.794 -5.192) 10.921 7.102 ( 0.140 -0.140 -2.116) 2.125 7.335 ( -5.194 5.194 2.137) 7.651 7.383 ( -8.553 8.553 5.229) 13.177 7.791 ( 6.460 -6.460 -6.734) 11.350 8.127 ( 3.603 -3.603 9.485) 10.767 8.207 ( -0.863 0.863 8.980) 9.062 8.416 ( 9.328 -9.328 -15.049) 20.012 8.955 ( -6.004 6.004 -11.944) 14.654 9.077 ( -7.171 7.171 4.651) 11.157 9.822 ( -0.749 0.749 7.450) 7.525 10.032 ( 16.050 -16.050 0.046) 22.699 10.129 ( -5.095 5.095 9.159) 11.654 10.568 ( -0.752 0.752 -4.004) 4.143 10.771 ( -0.720 0.720 1.072) 1.478 10.850 ( 2.878 -2.878 -0.272) 4.079 11.244 ( -4.191 4.191 3.331) 6.799 11.313 ( -5.916 5.916 1.652) 8.528 11.337 ( -6.745 6.745 0.986) 9.589 11.886 ( 0.570 -0.570 -0.454) 0.925 11.902 ( 0.373 -0.373 -0.845) 0.996 12.050 ( 12.420 -12.420 16.424) 24.046 12.420 ( -0.945 0.945 -10.269) 10.355 12.807 ( 8.743 -8.743 -8.760) 15.153 12.852 ( -2.726 2.726 8.725) 9.538 12.942 ( 1.217 -1.217 -4.693) 4.999 12.957 ( -1.052 1.052 3.944) 4.216 13.278 ( -1.398 1.398 7.898) 8.141 13.344 ( 1.956 -1.956 -1.176) 3.006 13.592 ( -2.885 2.885 0.845) 4.167 14.002 ( -2.375 2.375 -6.356) 7.188 14.122 ( 10.653 -10.653 5.973) 16.206 14.391 ( -6.131 6.131 2.532) 9.032 14.395 ( 1.146 -1.146 -0.928) 1.867 14.487 ( 0.353 -0.353 3.172) 3.211 14.546 ( -3.311 3.311 16.797) 17.437 15.328 ( 4.485 -4.485 -11.573) 13.197 15.377 ( -2.095 2.095 -9.152) 9.620 15.675 ( 15.680 -15.680 21.188) 30.670 16.883 ( 8.913 -8.913 -0.862) 12.634 17.360 ( 1.473 -1.473 0.112) 2.086 17.411 ( 4.392 -4.392 -1.908) 6.497 17.492 ( 0.717 -0.717 1.949) 2.197 17.528 ( 3.456 -3.456 1.458) 5.100 17.958 ( 3.546 -3.546 0.591) 5.050 18.091 ( -1.233 1.233 4.766) 5.075 18.333 ( -1.233 1.233 -2.844) 3.335 18.492 ( 0.567 -0.567 0.506) 0.948 18.630 ( 4.292 -4.292 -2.335) 6.503 18.737 ( -0.839 0.839 -1.975) 2.305 18.887 ( -1.258 1.258 -6.141) 6.394 19.787 ( -3.012 3.012 -26.971) 27.305 31.455 ( -0.541 0.541 1.163) 1.392 31.785 ( 1.060 -1.060 1.305) 1.987 31.798 ( -1.111 1.111 0.017) 1.571 31.858 ( 0.048 -0.048 -0.968) 0.970 50.983 ( -1.044 1.044 -1.066) 1.822 51.044 ( -4.264 4.264 -1.499) 6.214 51.891 ( 1.345 -1.345 0.826) 2.073 52.832 ( -13.349 13.349 -33.359) 38.331 ======================= Grid point 27 (15/75) ======================= q-point: (-0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 -40.073 -29.068) 49.506 1.462 ( 0.000 -31.685 -40.050) 51.068 2.258 ( 0.000 -75.052 -30.510) 81.017 3.721 ( -0.000 6.865 2.018) 7.156 3.727 ( -0.000 9.827 9.162) 13.435 3.799 ( -0.000 5.049 10.254) 11.429 3.845 ( -0.000 -4.042 2.897) 4.973 4.450 ( 0.000 -10.763 -1.985) 10.944 5.871 ( -0.000 8.532 -4.979) 9.879 5.926 ( 0.000 3.994 -4.551) 6.055 6.395 ( 0.000 -17.893 -5.168) 18.625 6.874 ( 0.000 -1.969 -2.515) 3.194 6.952 ( 0.000 25.661 -28.758) 38.542 7.131 ( 0.000 -5.535 2.282) 5.987 7.236 ( 0.000 7.305 -5.595) 9.202 7.390 ( 0.000 -16.618 0.348) 16.622 7.890 ( -0.000 6.840 8.235) 10.705 8.164 ( 0.000 -0.321 -7.082) 7.089 8.181 ( 0.000 1.434 -7.822) 7.952 8.591 ( -0.000 12.186 10.666) 16.194 8.696 ( -0.000 3.003 5.245) 6.044 9.104 ( 0.000 -17.744 3.022) 18.000 9.816 ( 0.000 -1.118 -7.990) 8.068 10.074 ( 0.000 -4.671 -9.939) 10.982 10.218 ( -0.000 18.025 -0.978) 18.052 10.534 ( -0.000 2.071 4.835) 5.260 10.745 ( 0.000 -6.558 -0.966) 6.629 10.892 ( -0.000 4.528 -0.729) 4.587 11.226 ( 0.000 -6.793 -1.436) 6.943 11.231 ( 0.000 -6.012 -4.694) 7.628 11.274 ( 0.000 -7.438 -1.316) 7.554 11.847 ( -0.000 5.643 2.659) 6.238 11.944 ( 0.000 -3.907 0.555) 3.946 12.228 ( -0.000 24.948 -14.035) 28.624 12.403 ( -0.000 0.462 9.811) 9.822 12.819 ( 0.000 -2.405 -6.958) 7.362 12.856 ( -0.000 1.594 7.239) 7.412 12.935 ( -0.000 -2.702 1.832) 3.264 12.992 ( -0.000 9.396 2.530) 9.730 13.286 ( 0.000 7.883 -14.924) 16.878 13.385 ( 0.000 -0.674 -1.883) 1.999 13.558 ( 0.000 -1.559 -1.405) 2.099 13.944 ( -0.000 0.143 6.856) 6.858 14.257 ( 0.000 2.026 -7.907) 8.162 14.349 ( -0.000 -5.941 4.948) 7.731 14.359 ( -0.000 5.301 -0.030) 5.301 14.477 ( 0.000 0.072 -18.500) 18.500 14.525 ( 0.000 -4.298 -7.717) 8.834 15.354 ( -0.000 -3.168 9.466) 9.982 15.358 ( -0.000 6.705 13.712) 15.264 15.960 ( 0.000 32.328 -30.218) 44.252 16.973 ( -0.000 10.931 0.466) 10.941 17.374 ( 0.000 0.034 -0.147) 0.151 17.417 ( -0.000 0.636 1.125) 1.292 17.497 ( -0.000 7.742 -2.215) 8.053 17.600 ( 0.000 -0.503 -0.638) 0.812 18.035 ( 0.000 0.273 -1.158) 1.190 18.066 ( 0.000 -0.623 -4.619) 4.661 18.321 ( -0.000 -1.394 3.175) 3.468 18.492 ( -0.000 1.222 -0.324) 1.265 18.690 ( -0.000 2.551 2.181) 3.356 18.721 ( -0.000 0.491 2.655) 2.700 18.850 ( -0.000 -5.446 9.340) 10.811 19.629 ( -0.000 -18.755 33.026) 37.980 31.450 ( 0.000 -0.656 -1.151) 1.325 31.784 ( 0.000 0.526 -1.137) 1.253 31.815 ( 0.000 -2.474 0.139) 2.477 31.859 ( -0.000 -0.062 0.779) 0.782 50.977 ( -0.000 -1.276 1.274) 1.804 50.999 ( 0.000 -3.678 1.392) 3.933 51.874 ( -0.000 4.340 -0.356) 4.354 52.646 ( -0.000 -37.454 37.180) 52.774 ======================= Grid point 29 (16/75) ======================= q-point: (-0.16 -0.04 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 24.871 5.862 -21.093) 33.134 2.406 ( 32.612 9.132 -5.922) 34.380 3.344 ( -6.222 -13.263 8.038) 16.711 3.530 ( -2.080 4.382 0.903) 4.934 3.721 ( -7.909 8.783 8.517) 14.568 3.934 ( 13.321 14.604 -3.212) 20.026 4.094 ( 38.801 24.062 -4.452) 45.873 4.815 ( 7.684 17.412 -5.588) 19.835 5.363 ( 2.540 -12.437 -31.366) 33.837 6.165 ( -12.673 40.313 -0.476) 42.261 6.757 ( 13.800 2.062 5.927) 15.160 6.893 ( -9.144 7.328 -0.623) 11.735 7.175 ( 21.212 6.639 4.175) 22.615 7.257 ( 2.490 2.716 -0.302) 3.697 7.465 ( 32.727 -4.387 -4.084) 33.272 7.688 ( -2.137 -7.579 3.627) 8.669 7.832 ( 25.027 -0.268 -11.067) 27.367 8.070 ( 0.954 -4.515 -6.419) 7.906 8.199 ( -2.645 0.940 -3.115) 4.193 8.278 ( -1.461 -4.341 10.396) 11.360 8.891 ( -4.363 19.073 5.767) 20.398 9.367 ( 13.862 -3.328 0.817) 14.280 9.670 ( -20.704 -12.748 -1.232) 24.345 9.845 ( 1.633 0.151 -6.813) 7.008 10.251 ( 6.360 2.177 -4.743) 8.227 10.511 ( -6.385 5.828 1.617) 8.795 10.712 ( -5.030 -6.837 1.569) 8.632 10.833 ( -0.352 1.240 -2.461) 2.779 11.375 ( 8.213 0.632 -1.715) 8.414 11.447 ( 7.421 1.405 1.732) 7.749 11.506 ( 10.284 7.150 -0.841) 12.553 11.760 ( -7.929 4.949 0.681) 9.372 11.865 ( -6.699 -4.783 -13.811) 16.078 11.984 ( 4.700 -4.982 -3.530) 7.705 12.406 ( -6.940 1.690 10.485) 12.687 12.532 ( -13.437 -8.853 3.337) 16.433 12.887 ( -4.330 0.156 -7.962) 9.065 12.933 ( 2.224 4.664 1.957) 5.525 12.984 ( 3.145 3.986 -2.763) 5.781 13.326 ( 3.956 -0.926 6.294) 7.492 13.437 ( 11.670 -1.870 2.379) 12.056 13.647 ( 2.460 4.512 0.367) 5.152 13.924 ( -8.347 -10.495 -2.652) 13.669 14.007 ( -1.743 4.826 5.729) 7.691 14.316 ( -5.547 3.835 1.266) 6.862 14.453 ( -2.918 -2.557 -9.283) 10.061 14.552 ( 7.230 0.866 -1.698) 7.477 14.614 ( 4.435 3.593 -17.297) 18.215 15.160 ( -10.323 -2.679 9.290) 14.144 15.429 ( 2.996 -1.082 8.007) 8.617 15.565 ( 0.725 -13.504 -8.059) 15.743 16.654 ( -14.797 -5.676 1.884) 15.960 17.150 ( -18.036 -2.134 0.153) 18.163 17.339 ( -1.171 -3.603 -0.237) 3.796 17.507 ( 1.286 -1.947 0.333) 2.357 17.528 ( 1.077 -5.584 -0.868) 5.753 17.912 ( -1.530 -7.580 -0.792) 7.773 18.121 ( 2.017 2.035 -4.069) 4.976 18.365 ( 1.993 1.075 2.378) 3.284 18.451 ( -3.646 0.396 -0.037) 3.667 18.568 ( -1.969 -6.481 1.556) 6.950 18.742 ( -0.814 2.465 1.431) 2.964 18.882 ( -1.227 0.606 4.389) 4.598 19.596 ( -19.903 1.516 12.610) 23.610 31.472 ( 1.262 0.235 -1.118) 1.702 31.755 ( -1.731 -0.830 -0.980) 2.156 31.855 ( 1.246 -0.532 1.169) 1.789 31.866 ( 3.461 -2.134 0.788) 4.142 51.013 ( 1.926 1.135 0.730) 2.352 51.155 ( 7.221 5.221 1.521) 9.040 51.801 ( -7.519 3.090 -1.080) 8.200 53.000 ( 3.704 -3.165 19.507) 20.106 ======================= Grid point 30 (17/75) ======================= q-point: (-0.16 -0.04 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -0.240 -9.642 -2.993) 10.098 2.661 ( 11.823 -20.513 -7.199) 24.746 3.347 ( 6.934 7.049 26.313) 28.109 3.656 ( 1.429 5.454 8.299) 10.033 3.742 ( -1.192 4.508 -2.664) 5.370 4.048 ( 7.328 -8.289 0.179) 11.065 4.952 ( 0.410 8.567 -31.229) 32.386 5.464 ( 8.519 49.933 -5.749) 50.979 6.228 ( 30.239 35.203 -4.123) 46.590 6.709 ( -13.474 13.426 9.614) 21.313 6.912 ( -3.654 39.502 4.186) 39.891 7.127 ( -7.520 -8.615 -6.187) 13.002 7.209 ( 16.499 9.138 -7.223) 20.196 7.522 ( 8.862 -3.568 6.188) 11.383 7.594 ( 9.822 4.128 -2.060) 10.852 7.939 ( 7.249 -4.799 11.848) 14.695 8.112 ( 14.170 5.958 0.331) 15.375 8.208 ( 9.453 -2.954 -5.227) 11.198 8.229 ( 12.268 1.769 -2.949) 12.741 8.633 ( 27.307 4.005 -5.646) 28.171 8.960 ( -21.396 -15.698 -1.230) 26.566 9.216 ( -1.277 19.580 6.159) 20.566 9.588 ( 10.911 2.352 0.518) 11.174 9.893 ( 2.422 1.383 -5.353) 6.036 10.221 ( -12.105 -0.300 5.949) 13.491 10.438 ( -5.952 -7.776 2.156) 10.027 10.631 ( 3.995 6.614 -8.422) 11.429 10.798 ( -2.012 -3.950 -2.157) 4.930 11.388 ( -12.900 -6.376 3.311) 14.766 11.497 ( 0.936 1.241 2.956) 3.340 11.558 ( -10.442 -15.823 0.028) 18.958 11.738 ( 0.760 -4.406 -5.539) 7.118 11.860 ( -4.659 1.539 -7.528) 8.985 11.930 ( 10.899 9.252 -2.071) 14.446 12.057 ( 0.410 -4.945 -13.046) 13.957 12.512 ( 0.848 0.658 8.634) 8.701 12.834 ( -5.543 5.968 1.858) 8.355 13.036 ( 3.369 -1.211 2.105) 4.153 13.177 ( 3.651 7.770 0.139) 8.586 13.401 ( 5.678 1.328 11.352) 12.762 13.615 ( 0.303 -4.404 1.052) 4.538 13.698 ( 9.578 0.791 7.450) 12.160 13.808 ( 4.929 2.387 2.148) 5.883 14.053 ( -3.909 3.883 6.853) 8.793 14.280 ( -7.257 -3.083 -4.525) 9.091 14.305 ( -0.098 2.216 2.249) 3.158 14.657 ( -1.275 3.176 -9.574) 10.167 14.741 ( -4.564 2.741 -13.108) 14.148 14.913 ( 2.624 -10.647 -2.070) 11.159 15.217 ( 2.559 -18.397 -4.382) 19.084 15.567 ( 2.079 3.686 6.174) 7.485 16.256 ( -14.192 -5.743 3.167) 15.635 16.764 ( -12.973 -4.606 -0.202) 13.768 17.169 ( -3.630 -9.881 0.432) 10.535 17.349 ( 1.524 -10.304 -1.088) 10.473 17.495 ( -2.921 -3.822 1.023) 4.918 17.791 ( 1.380 -1.782 -0.781) 2.386 18.228 ( 2.902 3.398 -1.202) 4.628 18.317 ( -5.131 -4.716 0.550) 6.991 18.423 ( 1.174 0.863 1.955) 2.438 18.469 ( 0.775 -1.551 -0.719) 1.877 18.743 ( -5.042 2.653 0.888) 5.766 18.858 ( 1.148 -2.400 1.708) 3.162 19.162 ( -17.054 -5.259 3.333) 18.155 31.504 ( 1.660 0.135 -0.813) 1.853 31.690 ( -1.506 -2.554 -0.684) 3.042 31.858 ( -0.049 0.139 0.724) 0.739 31.887 ( 1.881 -1.556 0.883) 2.596 51.105 ( 2.456 4.257 0.011) 4.915 51.454 ( 8.863 8.028 3.170) 12.371 51.700 ( -7.397 2.959 -3.573) 8.731 52.824 ( -6.483 -9.997 7.409) 14.031 ======================= Grid point 31 (18/75) ======================= q-point: (-0.16 -0.04 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 5.316 -3.893 -0.229) 6.593 2.457 ( 8.884 -17.787 -9.813) 22.172 3.527 ( 1.408 5.339 21.386) 22.088 3.698 ( -5.741 1.223 12.989) 14.254 3.804 ( 5.765 0.011 6.861) 8.962 3.951 ( 3.382 -11.185 2.374) 11.923 5.419 ( 16.894 18.701 -28.949) 38.382 6.014 ( -15.678 2.367 -18.377) 24.271 6.602 ( -14.913 17.689 2.262) 23.246 6.758 ( -20.050 13.350 -1.135) 24.115 7.109 ( 11.680 13.738 2.550) 18.212 7.522 ( 9.604 -10.227 10.165) 17.325 7.664 ( -1.975 24.234 6.547) 25.180 7.872 ( 7.865 7.841 10.245) 15.110 7.923 ( 6.397 7.464 -3.588) 10.465 8.159 ( 8.503 4.426 -8.473) 12.794 8.185 ( 10.036 0.893 2.619) 10.410 8.299 ( -9.881 -0.013 -1.551) 10.003 8.387 ( -1.917 0.861 -1.998) 2.900 8.530 ( 6.747 -5.411 0.255) 8.652 9.150 ( 4.241 21.991 0.249) 22.397 9.579 ( 2.793 22.281 3.765) 22.769 9.788 ( -16.861 -2.908 -0.743) 17.126 10.010 ( 6.383 2.054 2.092) 7.024 10.075 ( 15.557 4.616 -0.729) 16.244 10.188 ( -6.469 -6.173 1.392) 9.049 10.377 ( -20.405 -17.549 0.501) 26.918 10.682 ( -4.043 -25.607 1.009) 25.943 10.911 ( 5.869 6.022 -8.865) 12.218 11.202 ( -5.316 -10.145 -5.519) 12.714 11.491 ( -5.183 3.996 0.596) 6.571 11.697 ( 4.365 -5.306 -0.871) 6.926 11.844 ( -4.439 4.410 -13.978) 15.315 12.035 ( 4.828 -4.844 -14.980) 16.467 12.309 ( 8.107 7.185 0.914) 10.872 12.491 ( -0.307 -3.376 2.674) 4.318 12.856 ( -3.932 4.532 7.138) 9.325 13.025 ( 3.692 -5.632 0.350) 6.743 13.365 ( -0.006 7.491 19.244) 20.651 13.523 ( 2.405 0.438 19.417) 19.570 13.691 ( 3.354 6.585 -0.694) 7.423 13.859 ( -2.454 3.719 2.461) 5.090 13.940 ( 6.037 1.856 6.957) 9.396 14.023 ( 0.475 -0.092 5.351) 5.373 14.127 ( -4.744 0.195 -5.420) 7.206 14.362 ( -4.975 -7.228 -2.742) 9.194 14.479 ( 2.622 1.579 1.914) 3.610 14.718 ( -6.775 -0.446 -11.397) 13.266 14.759 ( 1.963 -8.686 -7.094) 11.385 15.061 ( 10.159 -10.944 -16.504) 22.256 15.710 ( 3.239 6.093 4.960) 8.499 15.931 ( -9.343 -4.440 3.681) 10.979 16.598 ( 3.166 -1.104 0.143) 3.356 16.845 ( -3.594 -14.380 -0.390) 14.827 17.244 ( 4.002 -5.118 0.152) 6.498 17.322 ( -1.504 -6.751 0.777) 6.960 17.883 ( 3.634 4.404 0.062) 5.710 18.088 ( -5.340 -5.547 0.335) 7.707 18.385 ( 3.169 2.607 1.833) 4.494 18.435 ( -0.710 0.549 1.944) 2.142 18.501 ( 2.692 1.563 -2.391) 3.925 18.648 ( -5.680 -1.667 -1.423) 6.088 18.838 ( 1.052 -1.913 -0.241) 2.196 18.870 ( -4.878 -2.212 0.718) 5.405 31.543 ( 2.018 0.405 -0.179) 2.067 31.612 ( -0.560 -3.167 -0.505) 3.256 31.864 ( -0.029 0.635 0.538) 0.833 31.880 ( -0.388 -0.464 0.661) 0.896 51.266 ( 2.148 7.493 -0.205) 7.797 51.471 ( -7.744 -1.526 -0.273) 7.898 51.943 ( 11.031 12.564 0.127) 16.720 52.431 ( -10.383 -13.010 1.674) 16.729 ======================= Grid point 35 (19/75) ======================= q-point: ( 0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 0.000 2.983 -6.618) 7.259 3.228 ( -0.000 -10.589 9.340) 14.120 3.238 ( 0.000 5.847 -8.789) 10.556 3.242 ( 0.000 -1.786 1.065) 2.079 4.086 ( -0.000 28.383 -3.073) 28.549 4.156 ( -0.000 10.058 6.492) 11.971 4.485 ( 0.000 -1.209 -6.530) 6.641 4.669 ( 0.000 -14.093 -10.469) 17.556 4.936 ( -0.000 -4.566 3.574) 5.799 6.042 ( -0.000 -1.570 2.993) 3.380 6.857 ( -0.000 8.392 24.437) 25.838 6.941 ( -0.000 -4.019 12.970) 13.578 7.374 ( 0.000 -8.042 -21.916) 23.345 7.430 ( 0.000 0.928 -5.514) 5.591 7.883 ( -0.000 -10.680 7.913) 13.292 8.002 ( -0.000 17.697 -1.895) 17.798 8.270 ( 0.000 -1.232 -4.665) 4.825 8.404 ( 0.000 1.418 -2.582) 2.946 8.539 ( -0.000 8.307 1.677) 8.474 8.615 ( 0.000 0.650 -0.406) 0.766 8.882 ( 0.000 -13.608 2.134) 13.774 9.021 ( 0.000 -6.604 -6.354) 9.164 9.550 ( -0.000 17.300 -1.376) 17.355 10.067 ( -0.000 1.482 4.701) 4.929 10.125 ( -0.000 -5.651 4.812) 7.422 10.643 ( 0.000 -0.527 -2.238) 2.300 10.679 ( -0.000 5.176 6.370) 8.208 10.808 ( -0.000 -1.040 4.068) 4.198 10.935 ( 0.000 -9.824 -8.860) 13.229 11.532 ( -0.000 -1.972 1.738) 2.629 11.697 ( 0.000 -4.872 1.941) 5.244 11.876 ( -0.000 -0.994 2.249) 2.459 11.966 ( -0.000 1.187 2.880) 3.115 12.007 ( -0.000 12.128 0.278) 12.131 12.113 ( 0.000 -6.302 -10.521) 12.264 12.529 ( -0.000 5.312 14.452) 15.398 12.732 ( 0.000 -2.033 -0.371) 2.067 12.868 ( 0.000 0.094 -1.785) 1.788 13.257 ( -0.000 1.862 2.509) 3.125 13.258 ( 0.000 0.476 -16.472) 16.478 13.577 ( 0.000 -0.553 -0.170) 0.579 13.825 ( 0.000 -0.407 -1.581) 1.633 13.911 ( -0.000 5.684 -3.154) 6.500 13.942 ( 0.000 -4.049 1.331) 4.262 14.001 ( 0.000 -1.369 0.080) 1.372 14.346 ( -0.000 3.621 -1.097) 3.784 14.694 ( 0.000 -2.693 -0.449) 2.730 14.870 ( -0.000 -0.895 20.678) 20.698 15.230 ( 0.000 -0.006 -15.372) 15.372 15.525 ( -0.000 10.126 2.910) 10.536 15.705 ( 0.000 -5.671 2.483) 6.191 16.055 ( 0.000 -2.861 -2.094) 3.545 16.710 ( -0.000 -0.378 0.752) 0.842 17.377 ( -0.000 -0.091 0.307) 0.321 17.478 ( 0.000 0.481 -1.241) 1.331 17.659 ( 0.000 1.029 -1.423) 1.756 18.059 ( -0.000 0.118 1.398) 1.403 18.193 ( -0.000 0.935 0.022) 0.936 18.303 ( 0.000 -1.110 0.041) 1.111 18.448 ( -0.000 1.720 0.900) 1.941 18.494 ( 0.000 -3.023 -1.003) 3.185 18.614 ( 0.000 -1.108 -0.499) 1.215 18.779 ( 0.000 -1.036 -0.608) 1.201 18.868 ( 0.000 -2.030 0.569) 2.108 31.562 ( -0.000 1.153 0.098) 1.158 31.699 ( 0.000 -0.439 -0.021) 0.439 31.849 ( 0.000 -0.197 -0.125) 0.234 31.999 ( 0.000 -0.077 -0.713) 0.717 51.025 ( 0.000 -0.449 0.019) 0.449 51.380 ( 0.000 -5.549 0.448) 5.567 51.432 ( -0.000 5.170 -0.455) 5.190 52.867 ( 0.000 -3.746 -1.742) 4.131 ======================= Grid point 36 (20/75) ======================= q-point: (-0.55 -0.05 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -13.217 3.312 -10.371) 17.124 3.031 ( -5.123 -3.519 5.861) 8.542 3.257 ( -2.862 1.990 -8.984) 9.637 3.370 ( -1.095 2.912 -4.949) 5.845 4.034 ( -2.638 -5.735 -14.561) 15.871 4.333 ( -5.294 -5.544 -5.817) 9.622 4.704 ( 13.188 -4.629 11.037) 17.809 4.959 ( 49.994 0.930 -17.282) 52.905 5.589 ( 43.303 16.272 3.872) 46.421 6.133 ( 1.743 9.826 5.588) 11.437 6.752 ( -3.761 0.487 25.981) 26.257 7.075 ( -7.675 -8.946 2.037) 11.962 7.102 ( 3.536 -14.084 -7.057) 16.145 7.538 ( 13.235 -10.197 -4.140) 17.213 7.685 ( 2.350 -15.176 1.532) 15.433 7.717 ( 0.825 -19.274 -8.589) 21.117 8.177 ( -5.972 -31.153 2.731) 31.837 8.407 ( 7.898 0.578 -7.325) 10.787 8.423 ( 0.816 1.808 -3.459) 3.988 8.559 ( 6.086 -17.886 3.279) 19.176 8.765 ( -0.366 12.167 -3.556) 12.682 9.186 ( -3.216 13.832 3.354) 14.592 9.685 ( -7.070 -5.157 -5.142) 10.150 10.025 ( 1.916 0.570 2.846) 3.477 10.115 ( -1.196 3.675 0.629) 3.916 10.523 ( -9.978 3.379 0.660) 10.556 10.777 ( 1.991 -3.660 -5.384) 6.808 10.828 ( -0.888 1.406 5.103) 5.367 11.005 ( 4.419 13.952 10.723) 18.143 11.437 ( -1.543 -5.229 4.705) 7.202 11.567 ( 3.269 -4.209 7.410) 9.128 11.941 ( 3.346 0.714 -4.268) 5.470 12.002 ( 1.729 -1.079 -6.801) 7.100 12.084 ( 1.411 2.512 -5.230) 5.971 12.161 ( -6.230 5.923 3.152) 9.156 12.482 ( 0.509 -6.884 2.703) 7.413 12.833 ( -2.142 9.060 7.111) 11.715 12.856 ( 0.247 -0.943 -5.267) 5.356 13.204 ( 0.842 -5.267 -11.652) 12.815 13.250 ( 0.473 -2.099 -0.275) 2.169 13.604 ( 2.633 -0.224 1.188) 2.897 13.705 ( -6.223 -1.117 -1.232) 6.441 13.850 ( 2.492 0.451 -0.154) 2.537 13.996 ( -2.193 5.703 -8.908) 10.802 14.110 ( 3.970 0.320 3.423) 5.252 14.458 ( -4.088 -0.950 -0.745) 4.262 14.658 ( -2.391 9.405 0.869) 9.742 14.872 ( 2.718 -2.419 19.560) 19.896 15.265 ( 3.448 -1.831 -12.406) 13.005 15.286 ( -4.259 -7.050 -6.269) 10.351 15.808 ( -10.518 4.741 -3.397) 12.027 16.108 ( -4.463 15.341 7.402) 17.608 16.821 ( -1.723 13.457 0.792) 13.590 17.320 ( -6.060 0.924 0.264) 6.136 17.512 ( -0.771 2.100 -1.588) 2.743 17.603 ( -6.973 1.459 -3.116) 7.775 17.940 ( -8.709 -0.744 0.191) 8.743 18.213 ( -0.340 1.747 1.634) 2.416 18.318 ( 2.328 -0.890 0.616) 2.567 18.417 ( -3.176 -1.355 -1.142) 3.637 18.489 ( 0.917 0.119 0.789) 1.215 18.598 ( 1.415 0.174 2.817) 3.157 18.769 ( 2.270 -2.521 0.620) 3.448 18.989 ( 2.783 7.725 5.003) 9.615 31.563 ( -0.311 -0.351 -1.856) 1.914 31.721 ( -0.143 2.478 0.850) 2.624 31.836 ( -0.233 -0.676 -0.028) 0.716 31.931 ( -3.248 -2.575 -0.850) 4.232 51.025 ( 2.803 -2.232 0.525) 3.622 51.232 ( 3.739 -9.843 2.122) 10.741 51.691 ( 7.439 10.023 -1.485) 12.570 52.661 ( -5.766 -10.772 4.505) 13.022 ======================= Grid point 37 (21/75) ======================= q-point: (-0.55 -0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 10.113 -10.113 -9.090) 16.947 2.858 ( -17.037 17.037 -4.393) 24.491 3.229 ( -0.879 0.879 -20.928) 20.965 3.365 ( -5.985 5.985 2.795) 8.913 4.016 ( -5.503 5.503 -5.227) 9.375 4.178 ( 7.755 -7.755 -13.541) 17.425 4.767 ( 21.194 -21.194 12.820) 32.600 5.747 ( 23.380 -23.380 -16.215) 36.826 6.357 ( 1.978 -1.978 -5.928) 6.554 6.530 ( 5.083 -5.083 10.296) 12.558 6.549 ( 22.311 -22.311 -4.658) 31.895 6.736 ( -1.387 1.387 28.906) 28.973 6.955 ( 9.481 -9.481 -9.343) 16.342 7.142 ( 10.917 -10.917 6.753) 16.851 7.445 ( 12.416 -12.416 -2.297) 17.709 7.693 ( 4.131 -4.131 -4.900) 7.624 8.029 ( 10.655 -10.655 8.351) 17.227 8.169 ( 12.764 -12.764 -0.167) 18.052 8.514 ( -10.129 10.129 -19.717) 24.371 8.568 ( 12.949 -12.949 -1.804) 18.402 8.940 ( -1.320 1.320 -2.422) 3.058 9.270 ( 10.874 -10.874 10.019) 18.355 9.469 ( -12.896 12.896 -6.092) 19.228 10.061 ( -5.315 5.315 5.882) 9.544 10.166 ( -2.755 2.755 -3.491) 5.232 10.418 ( -7.273 7.273 6.263) 12.042 10.790 ( -3.275 3.275 0.012) 4.632 10.802 ( 5.022 -5.022 -2.431) 7.507 11.237 ( 0.046 -0.046 8.287) 8.288 11.326 ( 0.535 -0.535 6.259) 6.305 11.760 ( -14.369 14.369 3.121) 20.559 11.931 ( 1.534 -1.534 9.259) 9.510 11.982 ( -4.041 4.041 1.874) 6.015 11.998 ( 8.549 -8.549 -16.726) 20.638 12.221 ( 2.311 -2.311 -6.743) 7.493 12.376 ( 4.795 -4.795 1.488) 6.943 12.849 ( -0.577 0.577 -9.077) 9.113 12.914 ( -4.702 4.702 11.883) 13.617 13.158 ( 5.251 -5.251 -7.192) 10.338 13.232 ( 1.870 -1.870 -1.236) 2.920 13.598 ( -4.211 4.211 -1.803) 6.222 13.691 ( 2.628 -2.628 1.024) 3.855 13.911 ( 2.306 -2.306 1.904) 3.776 14.032 ( -4.286 4.286 -9.690) 11.430 14.146 ( -1.776 1.776 4.159) 4.859 14.328 ( -1.923 1.923 -2.848) 3.938 14.811 ( -1.673 1.673 2.416) 3.382 14.832 ( 2.178 -2.178 20.265) 20.497 15.125 ( -4.398 4.398 -11.094) 12.719 15.407 ( 1.948 -1.948 -10.138) 10.505 15.639 ( -8.811 8.811 -8.348) 14.999 16.241 ( -12.702 12.702 10.051) 20.584 17.051 ( -10.304 10.304 -0.836) 14.595 17.187 ( -6.183 6.183 1.720) 8.912 17.500 ( -4.650 4.650 -3.544) 7.470 17.551 ( -2.778 2.778 -2.464) 4.637 17.829 ( -1.830 1.830 -0.597) 2.656 18.237 ( -1.138 1.138 7.130) 7.310 18.338 ( -0.009 0.009 -3.983) 3.983 18.351 ( 0.014 -0.014 -0.222) 0.223 18.495 ( 0.308 -0.308 -0.440) 0.618 18.636 ( 0.045 -0.045 5.494) 5.495 18.759 ( 2.246 -2.246 -0.192) 3.182 19.118 ( -4.234 4.234 8.386) 10.304 31.554 ( 0.194 -0.194 -2.463) 2.478 31.757 ( -2.205 2.205 1.447) 3.437 31.831 ( 0.053 -0.053 -1.166) 1.168 31.846 ( 0.180 -0.180 -0.799) 0.839 51.038 ( 4.082 -4.082 0.109) 5.774 51.166 ( 6.700 -6.700 3.267) 10.022 51.957 ( 0.130 -0.130 -4.552) 4.556 52.399 ( 3.332 -3.332 9.643) 10.733 ======================= Grid point 40 (22/75) ======================= q-point: ( 0.45 -0.05 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 0.857 -18.639 2.936) 18.888 3.031 ( -8.315 -3.871 6.413) 11.192 3.176 ( -5.091 -14.846 -5.461) 16.618 3.416 ( 4.575 2.498 -5.168) 7.341 3.754 ( -11.362 10.870 11.493) 19.476 4.222 ( -10.943 0.342 7.796) 13.441 4.600 ( -2.303 41.343 10.178) 42.640 4.963 ( -4.148 15.653 -6.741) 17.540 5.676 ( 12.561 42.250 -5.034) 44.364 6.160 ( 4.327 4.988 6.768) 9.456 6.657 ( -4.874 2.762 13.775) 14.871 7.180 ( -11.182 9.074 -6.251) 15.699 7.290 ( -2.490 -2.458 -3.687) 5.083 7.398 ( -12.183 -4.776 2.554) 13.332 7.642 ( -10.247 7.532 -1.702) 12.831 7.805 ( -8.152 -7.864 -8.761) 14.319 8.175 ( 1.762 -7.045 7.068) 10.134 8.251 ( -28.978 -3.541 -0.346) 29.195 8.376 ( -4.307 6.222 5.506) 9.358 8.572 ( -11.831 11.496 0.559) 16.506 8.790 ( -9.556 3.969 -5.300) 11.625 9.241 ( 18.976 -9.640 -0.812) 21.300 9.544 ( 1.482 2.328 4.749) 5.492 10.024 ( -0.843 -1.157 6.146) 6.310 10.159 ( 3.759 -1.951 -4.474) 6.160 10.551 ( 4.052 -7.203 -1.040) 8.329 10.659 ( -4.801 4.078 5.849) 8.596 10.863 ( 1.117 0.251 1.266) 1.707 11.233 ( 14.792 1.960 -11.699) 18.961 11.494 ( -3.548 -1.373 -1.241) 4.001 11.674 ( -4.400 2.291 -2.901) 5.747 11.783 ( -9.533 5.600 4.798) 12.053 11.963 ( 2.758 -2.509 4.787) 6.068 12.030 ( 7.928 -2.210 1.346) 8.340 12.259 ( 5.007 -0.855 -7.697) 9.222 12.362 ( -8.025 0.450 12.240) 14.643 12.824 ( 2.842 -1.195 -0.115) 3.085 12.913 ( 6.546 1.550 1.505) 6.893 13.190 ( -3.870 -0.321 -6.448) 7.527 13.199 ( -3.461 -0.462 -1.380) 3.754 13.623 ( 0.784 3.206 0.124) 3.303 13.674 ( -7.734 -4.976 0.558) 9.213 13.861 ( 2.243 -6.188 3.192) 7.316 13.878 ( 2.161 3.304 -2.744) 4.808 14.176 ( 1.384 5.085 -3.143) 6.136 14.430 ( 6.395 -3.915 2.618) 7.942 14.708 ( 4.980 -2.239 -3.465) 6.467 14.943 ( 2.569 5.765 17.684) 18.777 15.152 ( -14.752 -4.113 7.326) 16.977 15.239 ( -2.381 2.174 -15.356) 15.690 15.707 ( 0.915 -13.295 5.912) 14.579 16.249 ( 17.811 -3.208 -6.075) 19.090 16.829 ( 13.726 -2.224 0.043) 13.905 17.321 ( 1.118 -5.792 0.104) 5.900 17.500 ( 0.900 -0.091 -0.410) 0.993 17.561 ( -0.362 -7.507 1.076) 7.592 17.928 ( -0.665 -9.168 1.304) 9.284 18.211 ( 0.743 1.735 1.556) 2.446 18.341 ( 0.888 0.989 -1.465) 1.978 18.404 ( -1.335 -1.795 0.183) 2.245 18.514 ( 0.948 -2.972 -1.474) 3.450 18.656 ( 2.765 2.580 -2.640) 4.612 18.803 ( -1.719 2.220 -2.887) 4.027 19.087 ( 13.885 3.017 -4.825) 15.006 31.529 ( -1.518 -0.213 1.529) 2.165 31.728 ( 2.377 -0.371 0.099) 2.408 31.843 ( -0.445 -0.227 -0.665) 0.831 31.926 ( -3.149 -3.399 -0.471) 4.657 51.036 ( -1.643 2.259 -0.568) 2.850 51.276 ( -9.424 4.769 -2.235) 10.796 51.658 ( 10.087 5.883 1.794) 11.814 52.797 ( -4.330 -5.698 -9.106) 11.582 ======================= Grid point 41 (23/75) ======================= q-point: ( 0.45 -0.05 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -5.318 5.318 6.122) 9.698 2.676 ( 8.794 -8.794 17.907) 21.802 2.971 ( 2.648 -2.648 -1.348) 3.981 3.467 ( 1.905 -1.905 -6.914) 7.421 3.940 ( -5.396 5.396 10.739) 13.174 3.953 ( 1.688 -1.688 1.184) 2.664 4.972 ( -29.362 29.362 -6.620) 42.049 5.459 ( -24.415 24.415 12.000) 36.554 5.868 ( -18.575 18.575 31.957) 41.368 6.682 ( -8.593 8.593 -7.194) 14.122 6.738 ( -8.245 8.245 -12.146) 16.837 6.882 ( -3.444 3.444 -2.174) 5.334 7.194 ( -5.436 5.436 -6.991) 10.391 7.325 ( -3.006 3.006 -15.952) 16.508 7.379 ( -13.783 13.783 3.603) 19.822 7.649 ( -0.966 0.966 -2.095) 2.501 8.058 ( 3.699 -3.699 16.200) 17.023 8.130 ( -15.734 15.734 -0.248) 22.253 8.193 ( -2.953 2.953 4.668) 6.263 8.437 ( -4.654 4.654 10.891) 12.726 9.006 ( -7.342 7.342 -8.995) 13.738 9.387 ( 9.677 -9.677 1.131) 13.733 9.387 ( 0.202 -0.202 -0.431) 0.517 10.000 ( 0.472 -0.472 7.761) 7.789 10.227 ( 3.544 -3.544 -5.571) 7.493 10.515 ( 7.759 -7.759 -3.346) 11.472 10.713 ( -6.262 6.262 6.225) 10.825 10.814 ( 2.345 -2.345 -1.995) 3.870 11.380 ( -1.905 1.905 -5.094) 5.763 11.420 ( -0.180 0.180 -3.384) 3.393 11.750 ( -7.958 7.958 5.210) 12.402 11.803 ( 9.919 -9.919 1.398) 14.097 11.963 ( 4.422 -4.422 5.467) 8.306 11.995 ( -4.151 4.151 4.585) 7.449 12.246 ( -1.608 1.608 -10.805) 11.042 12.325 ( 2.211 -2.211 5.127) 6.005 12.838 ( -0.491 0.491 -7.116) 7.150 13.030 ( 0.279 -0.279 5.783) 5.797 13.138 ( 4.333 -4.333 -10.034) 11.757 13.165 ( -3.515 3.515 4.649) 6.806 13.534 ( -1.097 1.097 6.366) 6.552 13.712 ( -3.051 3.051 -1.089) 4.450 13.788 ( 8.759 -8.759 8.109) 14.805 13.977 ( -1.674 1.674 -4.555) 5.134 14.239 ( 1.675 -1.675 -5.161) 5.679 14.372 ( 0.817 -0.817 -3.784) 3.957 14.853 ( -0.568 0.568 14.528) 14.551 14.862 ( 1.260 -1.260 -1.211) 2.154 15.159 ( -0.371 0.371 13.030) 13.040 15.185 ( 0.102 -0.102 -12.129) 12.130 15.485 ( 6.373 -6.373 5.534) 10.576 16.409 ( 11.614 -11.614 -6.591) 17.697 17.039 ( 11.370 -11.370 0.400) 16.085 17.217 ( 5.454 -5.454 -1.400) 7.839 17.431 ( 4.372 -4.372 3.389) 7.051 17.524 ( 1.135 -1.135 0.275) 1.629 17.817 ( 2.869 -2.869 0.646) 4.109 18.251 ( -1.393 1.393 4.686) 5.084 18.341 ( -1.427 1.427 -3.327) 3.891 18.381 ( 4.609 -4.609 -2.979) 7.166 18.480 ( 0.280 -0.280 0.929) 1.010 18.760 ( 0.748 -0.748 -6.501) 6.587 18.767 ( -1.917 1.917 -0.833) 2.836 19.295 ( 8.036 -8.036 -9.574) 14.860 31.511 ( -0.560 0.560 1.921) 2.078 31.753 ( 2.467 -2.467 1.422) 3.767 31.834 ( -0.352 0.352 -1.218) 1.316 31.839 ( -0.893 0.893 -0.156) 1.273 51.044 ( -3.308 3.308 -0.426) 4.698 51.231 ( -7.376 7.376 -3.198) 10.911 51.873 ( 1.454 -1.454 3.887) 4.397 52.635 ( -1.172 1.172 -14.248) 14.344 ======================= Grid point 43 (24/75) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -0.000 48.527 0.000) 48.527 1.033 ( -0.000 53.711 0.000) 53.711 1.933 ( -0.000 96.826 0.000) 96.826 3.732 ( 0.000 -7.077 -0.000) 7.077 3.814 ( -0.000 1.365 0.000) 1.365 3.923 ( 0.000 -6.081 -0.000) 6.081 4.180 ( 0.000 -8.173 -0.000) 8.173 4.657 ( 0.000 -9.929 -0.000) 9.929 4.864 ( 0.000 -4.237 -0.000) 4.237 5.813 ( 0.000 -4.989 -0.000) 4.989 6.370 ( -0.000 44.703 0.000) 44.703 6.414 ( -0.000 25.633 0.000) 25.633 6.840 ( 0.000 -0.610 -0.000) 0.610 7.168 ( -0.000 13.513 0.000) 13.513 7.228 ( 0.000 -9.155 -0.000) 9.155 7.399 ( -0.000 8.437 0.000) 8.437 7.976 ( 0.000 -8.021 -0.000) 8.021 8.062 ( -0.000 0.295 0.000) 0.295 8.069 ( 0.000 -2.732 -0.000) 2.732 8.716 ( 0.000 -9.165 -0.000) 9.165 8.770 ( 0.000 -2.666 -0.000) 2.666 9.158 ( -0.000 12.800 0.000) 12.800 9.741 ( -0.000 1.090 0.000) 1.090 9.967 ( -0.000 7.210 0.000) 7.210 10.211 ( 0.000 -20.142 -0.000) 20.142 10.578 ( 0.000 -1.129 -0.000) 1.129 10.728 ( -0.000 4.648 0.000) 4.648 10.886 ( 0.000 -3.264 -0.000) 3.264 11.178 ( -0.000 6.217 0.000) 6.217 11.212 ( -0.000 9.398 0.000) 9.398 11.265 ( -0.000 7.283 0.000) 7.283 11.731 ( 0.000 -1.751 -0.000) 1.751 11.876 ( 0.000 -5.644 -0.000) 5.644 11.975 ( -0.000 1.238 0.000) 1.238 12.559 ( -0.000 0.306 0.000) 0.306 12.675 ( -0.000 3.013 0.000) 3.013 12.850 ( 0.000 -1.511 -0.000) 1.511 12.970 ( -0.000 0.250 0.000) 0.250 13.013 ( 0.000 -12.902 -0.000) 12.902 13.282 ( -0.000 9.363 0.000) 9.363 13.382 ( -0.000 0.854 0.000) 0.854 13.544 ( -0.000 2.163 0.000) 2.163 14.068 ( 0.000 -1.994 -0.000) 1.994 14.075 ( 0.000 -0.258 -0.000) 0.258 14.203 ( 0.000 -0.733 -0.000) 0.733 14.367 ( 0.000 -4.814 -0.000) 4.814 14.370 ( 0.000 -1.006 -0.000) 1.006 14.594 ( -0.000 2.037 0.000) 2.037 15.448 ( -0.000 2.978 0.000) 2.978 15.516 ( -0.000 4.087 0.000) 4.087 15.520 ( 0.000 -6.603 -0.000) 6.603 16.971 ( 0.000 -10.317 -0.000) 10.317 17.372 ( 0.000 -0.082 -0.000) 0.082 17.432 ( -0.000 4.132 0.000) 4.132 17.471 ( 0.000 -12.057 -0.000) 12.057 17.596 ( -0.000 0.703 0.000) 0.703 18.020 ( -0.000 0.709 0.000) 0.709 18.022 ( 0.000 -0.391 -0.000) 0.391 18.352 ( -0.000 1.084 0.000) 1.084 18.488 ( 0.000 -1.007 -0.000) 1.007 18.712 ( 0.000 -3.080 -0.000) 3.080 18.747 ( 0.000 -0.602 -0.000) 0.602 18.940 ( 0.000 -0.139 -0.000) 0.139 20.194 ( 0.000 -19.790 -0.000) 19.790 31.439 ( -0.000 0.656 0.000) 0.656 31.773 ( 0.000 -0.652 -0.000) 0.652 31.830 ( -0.000 4.143 0.000) 4.143 31.867 ( -0.000 0.038 0.000) 0.038 50.989 ( -0.000 1.132 0.000) 1.132 51.013 ( -0.000 3.625 0.000) 3.625 51.871 ( 0.000 -4.374 -0.000) 4.374 53.391 ( 0.000 -2.691 -0.000) 2.691 ======================= Grid point 44 (25/75) ======================= q-point: ( 0.06 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 7.869 34.782 0.000) 35.661 2.352 ( 13.898 37.999 0.000) 40.461 3.439 ( -6.273 -5.168 -0.000) 8.128 3.530 ( 7.668 0.500 0.000) 7.684 3.906 ( 24.228 34.532 0.000) 42.183 3.924 ( 4.425 0.872 0.000) 4.510 4.240 ( 13.682 -0.623 0.000) 13.696 4.457 ( -6.707 -0.739 -0.000) 6.748 4.971 ( 8.446 25.540 0.000) 26.900 6.172 ( 45.233 -7.379 0.000) 45.831 6.770 ( 1.409 7.717 0.000) 7.845 7.012 ( 8.216 -13.600 0.000) 15.890 7.078 ( 11.755 4.215 0.000) 12.488 7.340 ( -2.847 46.989 0.000) 47.076 7.531 ( 0.569 15.054 0.000) 15.065 7.553 ( -8.884 17.248 -0.000) 19.401 7.728 ( -6.957 0.913 -0.000) 7.016 8.011 ( -0.145 4.520 0.000) 4.523 8.135 ( 0.892 6.681 0.000) 6.740 8.448 ( -6.059 -9.708 -0.000) 11.443 8.934 ( 18.010 -3.329 0.000) 18.315 9.381 ( -3.759 15.134 0.000) 15.594 9.656 ( -12.731 -22.142 -0.000) 25.541 9.776 ( 0.756 1.577 0.000) 1.749 10.192 ( 5.020 9.685 0.000) 10.909 10.534 ( 3.658 -9.326 -0.000) 10.018 10.745 ( -6.394 -5.236 -0.000) 8.264 10.784 ( 1.817 -0.237 0.000) 1.833 11.347 ( 1.719 8.481 0.000) 8.654 11.465 ( 0.854 10.267 0.000) 10.302 11.501 ( 6.937 10.251 0.000) 12.378 11.673 ( -2.043 -1.014 -0.000) 2.281 11.770 ( 3.253 -8.509 -0.000) 9.109 11.955 ( -4.963 2.261 -0.000) 5.454 12.508 ( -9.428 -24.103 -0.000) 25.881 12.602 ( 2.172 0.740 0.000) 2.294 12.819 ( -0.090 6.191 0.000) 6.192 12.826 ( 4.598 -3.237 0.000) 5.623 13.046 ( 5.495 0.881 0.000) 5.566 13.374 ( -2.118 4.158 0.000) 4.666 13.547 ( -0.366 15.693 0.000) 15.697 13.654 ( 4.827 3.933 0.000) 6.227 13.862 ( -9.193 -6.602 -0.000) 11.318 14.117 ( 4.036 -1.110 0.000) 4.186 14.285 ( 1.412 -2.093 0.000) 2.525 14.291 ( 8.982 -2.184 0.000) 9.244 14.424 ( -1.167 1.770 -0.000) 2.120 14.578 ( -1.189 -0.146 -0.000) 1.198 15.286 ( -6.364 -10.873 -0.000) 12.599 15.432 ( -15.426 5.312 -0.000) 16.315 15.533 ( 2.447 2.686 0.000) 3.634 16.669 ( -5.362 -14.091 -0.000) 15.077 17.152 ( -1.928 -18.484 -0.000) 18.584 17.336 ( -3.205 -1.189 -0.000) 3.418 17.515 ( -9.922 1.632 -0.000) 10.056 17.518 ( 1.692 1.913 0.000) 2.553 17.904 ( -7.113 -1.850 -0.000) 7.349 18.078 ( 2.077 2.647 0.000) 3.365 18.390 ( 0.953 1.807 0.000) 2.043 18.450 ( 0.378 -3.389 -0.000) 3.410 18.584 ( -6.511 -2.506 -0.000) 6.977 18.756 ( 2.037 -1.038 0.000) 2.286 18.925 ( 0.223 -1.969 -0.000) 1.981 19.741 ( -0.663 -27.591 -0.000) 27.599 31.461 ( 0.243 1.324 0.000) 1.346 31.745 ( -1.024 -1.431 -0.000) 1.760 31.867 ( -0.012 -0.056 -0.000) 0.057 31.877 ( -3.186 4.929 -0.000) 5.869 51.021 ( 0.964 1.735 0.000) 1.985 51.170 ( 5.475 7.211 0.000) 9.054 51.790 ( 2.452 -7.614 -0.000) 7.999 53.233 ( -7.156 -5.978 -0.000) 9.324 ======================= Grid point 45 (26/75) ======================= q-point: ( 0.06 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -12.604 8.846 -0.000) 15.398 2.585 ( -21.006 9.725 -0.000) 23.148 3.625 ( 12.701 5.934 0.000) 14.019 3.767 ( 4.837 6.733 0.000) 8.290 3.913 ( 1.807 -8.840 -0.000) 9.023 4.026 ( 0.525 6.933 0.000) 6.952 4.430 ( 1.510 8.807 0.000) 8.935 5.403 ( 48.323 7.209 0.000) 48.858 6.187 ( 38.632 30.927 0.000) 49.487 6.861 ( 17.216 -23.772 0.000) 29.351 6.932 ( -9.798 -4.260 -0.000) 10.684 7.057 ( 55.165 -6.724 0.000) 55.573 7.087 ( -4.373 25.711 0.000) 26.080 7.541 ( 11.615 -1.524 0.000) 11.714 7.672 ( -16.109 21.541 -0.000) 26.898 8.044 ( 7.020 2.837 0.000) 7.572 8.066 ( -3.764 17.659 0.000) 18.056 8.136 ( 2.434 7.048 0.000) 7.456 8.268 ( -5.445 14.328 0.000) 15.328 8.560 ( 5.113 28.214 0.000) 28.673 8.951 ( -15.860 -21.610 -0.000) 26.806 9.273 ( 19.135 0.391 0.000) 19.139 9.600 ( 1.082 12.905 0.000) 12.950 9.834 ( 2.138 1.926 0.000) 2.878 10.317 ( 2.296 -19.882 -0.000) 20.014 10.444 ( -1.026 -1.782 -0.000) 2.057 10.525 ( -1.312 5.443 0.000) 5.599 10.766 ( -2.682 -2.674 -0.000) 3.787 11.383 ( -5.033 -7.330 -0.000) 8.892 11.523 ( -12.078 1.281 -0.000) 12.146 11.616 ( -3.685 -6.319 -0.000) 7.315 11.680 ( 3.895 -8.279 -0.000) 9.149 11.782 ( -10.857 -10.990 -0.000) 15.448 11.892 ( -6.608 3.232 -0.000) 7.356 11.918 ( 11.056 12.436 0.000) 16.640 12.585 ( -2.065 -1.418 -0.000) 2.505 12.952 ( 9.422 -3.702 0.000) 10.123 12.958 ( 1.497 4.585 0.000) 4.823 13.187 ( 4.760 8.636 0.000) 9.861 13.528 ( 7.789 5.026 0.000) 9.269 13.625 ( -5.322 -0.822 -0.000) 5.385 13.792 ( 5.224 3.801 0.000) 6.461 13.877 ( -1.434 15.390 0.000) 15.457 14.144 ( 3.359 -5.686 0.000) 6.604 14.264 ( -0.555 -2.822 -0.000) 2.876 14.344 ( 0.065 -3.177 -0.000) 3.178 14.403 ( 7.602 -2.943 0.000) 8.152 14.615 ( -2.099 2.590 -0.000) 3.334 14.914 ( -12.840 -6.182 -0.000) 14.251 15.173 ( -18.854 2.409 -0.000) 19.007 15.631 ( 3.652 1.774 0.000) 4.060 16.285 ( -5.450 -14.014 -0.000) 15.037 16.762 ( -4.669 -13.038 -0.000) 13.849 17.173 ( -9.182 -4.352 -0.000) 10.161 17.338 ( -11.216 2.724 -0.000) 11.542 17.507 ( -3.830 -2.903 -0.000) 4.806 17.783 ( -1.517 1.305 -0.000) 2.001 18.213 ( 4.141 5.198 0.000) 6.646 18.323 ( -4.457 -6.682 -0.000) 8.032 18.446 ( 1.049 1.600 0.000) 1.913 18.461 ( -2.467 0.153 -0.000) 2.471 18.751 ( 2.688 -5.447 -0.000) 6.074 18.876 ( -3.139 0.234 -0.000) 3.147 19.198 ( -5.971 -19.334 -0.000) 20.235 31.495 ( 0.172 1.870 0.000) 1.878 31.683 ( -2.661 -1.219 -0.000) 2.927 31.865 ( 0.139 -0.204 0.000) 0.247 31.897 ( -1.652 1.837 -0.000) 2.470 51.105 ( 4.023 2.341 0.000) 4.654 51.492 ( 10.110 10.713 0.000) 14.730 51.659 ( 0.576 -9.236 -0.000) 9.254 52.905 ( -11.276 -9.774 -0.000) 14.922 ======================= Grid point 46 (27/75) ======================= q-point: ( 0.06 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -8.400 11.508 -0.000) 14.248 2.338 ( -17.348 5.634 -0.000) 18.240 3.764 ( 4.493 -2.836 0.000) 5.313 3.800 ( -0.526 -1.991 -0.000) 2.059 3.926 ( -0.197 5.228 0.000) 5.232 4.036 ( -9.287 3.898 -0.000) 10.072 5.055 ( 22.723 22.018 0.000) 31.641 5.801 ( -2.626 -21.174 -0.000) 21.336 6.616 ( 17.322 -10.324 0.000) 20.166 6.743 ( 18.829 -24.484 0.000) 30.887 7.137 ( 18.609 14.429 0.000) 23.547 7.661 ( -23.075 10.658 -0.000) 25.417 7.808 ( 6.485 7.298 0.000) 9.763 7.811 ( 30.138 -8.618 0.000) 31.346 7.990 ( 8.442 10.810 0.000) 13.716 8.049 ( -0.283 -2.452 -0.000) 2.468 8.139 ( 11.306 15.075 0.000) 18.843 8.352 ( -4.376 -9.314 -0.000) 10.291 8.352 ( 0.438 8.531 0.000) 8.542 8.537 ( -5.474 6.655 -0.000) 8.617 9.151 ( 23.900 6.863 0.000) 24.866 9.620 ( 20.325 3.350 0.000) 20.600 9.785 ( -1.785 -24.067 -0.000) 24.133 10.022 ( 4.178 -0.741 0.000) 4.243 10.074 ( 4.571 28.502 0.000) 28.866 10.214 ( -5.975 -6.045 -0.000) 8.500 10.378 ( -17.462 -26.941 -0.000) 32.105 10.695 ( -27.218 -6.739 -0.000) 28.040 10.803 ( 6.567 9.642 0.000) 11.666 11.132 ( -11.937 -6.573 -0.000) 13.627 11.562 ( 2.977 -3.118 0.000) 4.311 11.601 ( 3.298 -6.943 -0.000) 7.686 11.777 ( -2.881 6.537 0.000) 7.144 11.835 ( -6.299 3.623 -0.000) 7.267 12.319 ( 7.316 9.067 0.000) 11.651 12.512 ( -4.368 -0.686 -0.000) 4.422 12.973 ( 0.270 -0.273 0.000) 0.384 12.995 ( -1.457 0.013 -0.000) 1.457 13.599 ( 15.223 9.525 0.000) 17.958 13.655 ( 3.953 2.728 0.000) 4.803 13.729 ( 6.313 -0.871 0.000) 6.372 13.936 ( 5.209 1.464 0.000) 5.411 14.033 ( -1.442 -9.012 -0.000) 9.127 14.079 ( -4.856 -8.014 -0.000) 9.370 14.093 ( 0.871 8.419 0.000) 8.464 14.320 ( -1.813 -10.247 -0.000) 10.406 14.493 ( 0.508 0.873 0.000) 1.010 14.495 ( 3.062 1.955 0.000) 3.633 14.740 ( -13.456 11.236 -0.000) 17.530 14.852 ( -16.513 1.659 -0.000) 16.596 15.760 ( 5.710 2.834 0.000) 6.375 15.967 ( -4.112 -9.470 -0.000) 10.324 16.600 ( -1.124 3.971 0.000) 4.127 16.840 ( -14.327 -4.566 -0.000) 15.037 17.246 ( -5.174 4.830 -0.000) 7.078 17.331 ( -6.882 -1.736 -0.000) 7.098 17.884 ( 4.576 4.433 0.000) 6.372 18.092 ( -5.645 -6.538 -0.000) 8.638 18.418 ( 5.684 5.537 0.000) 7.935 18.450 ( -0.054 0.662 0.000) 0.664 18.471 ( -0.339 0.344 -0.000) 0.483 18.630 ( -2.351 -7.074 -0.000) 7.454 18.835 ( -1.705 0.650 -0.000) 1.825 18.878 ( -2.306 -5.489 -0.000) 5.953 31.541 ( 0.327 2.550 0.000) 2.571 31.606 ( -3.115 -0.773 -0.000) 3.210 31.870 ( 0.657 -0.046 0.000) 0.658 31.887 ( -0.542 -0.459 -0.000) 0.710 51.263 ( 7.381 2.599 0.000) 7.825 51.468 ( -1.596 -9.338 -0.000) 9.474 51.945 ( 12.893 13.146 0.000) 18.414 52.450 ( -13.435 -12.598 -0.000) 18.417 ======================= Grid point 51 (28/75) ======================= q-point: (-0.33 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 0.000 -38.031 -10.763) 39.525 2.654 ( 0.000 -18.365 -26.053) 31.875 3.172 ( -0.000 -1.623 1.152) 1.990 3.501 ( -0.000 7.108 -0.007) 7.108 3.551 ( -0.000 7.245 0.330) 7.252 3.868 ( 0.000 -3.441 -5.368) 6.376 4.160 ( 0.000 -27.540 -15.050) 31.384 4.728 ( 0.000 -6.807 -5.523) 8.766 5.603 ( -0.000 23.314 1.385) 23.355 6.081 ( 0.000 -14.542 -13.422) 19.789 6.548 ( -0.000 1.587 7.904) 8.062 6.939 ( -0.000 -4.267 3.613) 5.591 7.130 ( 0.000 -10.192 -10.024) 14.295 7.224 ( 0.000 -4.787 -3.761) 6.088 7.566 ( 0.000 -17.884 8.598) 19.844 7.688 ( 0.000 -13.175 -0.595) 13.188 7.868 ( -0.000 6.925 23.172) 24.185 7.892 ( 0.000 -27.774 1.135) 27.797 8.249 ( -0.000 -7.519 4.668) 8.850 8.465 ( 0.000 8.948 -14.592) 17.117 8.653 ( 0.000 3.265 -10.342) 10.845 9.315 ( 0.000 -13.305 7.935) 15.491 9.844 ( -0.000 18.595 -3.273) 18.881 10.039 ( 0.000 0.514 -10.956) 10.968 10.281 ( -0.000 7.656 9.683) 12.344 10.460 ( 0.000 -5.709 -12.092) 13.372 10.768 ( -0.000 6.435 1.952) 6.724 10.855 ( 0.000 -2.357 -1.122) 2.611 11.343 ( -0.000 -2.981 5.995) 6.695 11.408 ( 0.000 -5.904 0.714) 5.947 11.486 ( 0.000 -9.035 -5.326) 10.488 11.650 ( -0.000 7.246 2.042) 7.528 12.085 ( -0.000 5.816 -3.266) 6.670 12.150 ( 0.000 -9.734 -6.683) 11.807 12.157 ( -0.000 4.418 8.489) 9.570 12.554 ( -0.000 12.914 5.041) 13.863 12.824 ( -0.000 -0.081 1.274) 1.277 12.957 ( 0.000 -6.505 2.082) 6.830 13.079 ( 0.000 -5.041 -6.303) 8.071 13.213 ( -0.000 6.485 5.796) 8.697 13.596 ( 0.000 0.035 -0.076) 0.084 13.614 ( 0.000 0.165 -13.339) 13.340 13.838 ( -0.000 -0.720 3.907) 3.973 14.133 ( -0.000 10.530 -1.426) 10.626 14.207 ( -0.000 7.808 2.035) 8.068 14.449 ( 0.000 -8.227 4.013) 9.153 14.864 ( 0.000 -0.697 -18.894) 18.907 14.923 ( 0.000 0.333 -17.453) 17.456 14.954 ( -0.000 2.642 9.024) 9.403 15.159 ( -0.000 -3.665 16.901) 17.294 15.942 ( 0.000 10.385 -9.634) 14.166 16.645 ( -0.000 17.764 5.066) 18.472 17.165 ( -0.000 17.203 0.562) 17.212 17.376 ( -0.000 -0.099 0.061) 0.116 17.510 ( 0.000 0.508 -1.572) 1.652 17.634 ( 0.000 -0.269 -1.940) 1.958 18.058 ( 0.000 0.080 -1.274) 1.277 18.182 ( 0.000 0.020 -4.716) 4.717 18.290 ( -0.000 -3.114 3.472) 4.664 18.441 ( -0.000 3.197 0.415) 3.224 18.606 ( -0.000 1.365 3.854) 4.089 18.644 ( -0.000 0.408 3.702) 3.724 18.747 ( -0.000 -1.473 5.321) 5.521 19.272 ( -0.000 7.714 11.789) 14.089 31.502 ( 0.000 -1.282 -2.056) 2.423 31.780 ( -0.000 2.568 -0.777) 2.683 31.834 ( -0.000 -0.828 1.073) 1.356 31.888 ( 0.000 -3.752 -0.247) 3.761 50.981 ( -0.000 -2.173 1.561) 2.676 51.067 ( 0.000 -7.114 1.999) 7.390 51.767 ( -0.000 7.791 -0.721) 7.824 52.643 ( -0.000 -17.117 15.358) 22.997 ======================= Grid point 52 (29/75) ======================= q-point: (-0.33 -0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 16.936 -16.936 -12.154) 26.858 2.422 ( 17.560 -17.560 -37.995) 45.391 3.148 ( 21.362 -21.362 2.811) 30.342 3.571 ( -2.432 2.432 -0.618) 3.494 3.587 ( -6.002 6.002 -7.411) 11.268 3.849 ( 4.461 -4.461 0.189) 6.311 3.954 ( 13.578 -13.578 -24.429) 31.072 4.696 ( 14.073 -14.073 -7.333) 21.211 5.670 ( -3.931 3.931 2.734) 6.196 6.257 ( 8.883 -8.883 -0.503) 12.572 6.461 ( 8.953 -8.953 2.829) 12.973 6.870 ( -0.319 0.319 3.553) 3.581 7.092 ( -0.174 0.174 -0.056) 0.253 7.173 ( -9.326 9.326 -9.463) 16.232 7.319 ( 4.649 -4.649 5.192) 8.377 7.485 ( 14.374 -14.374 -4.735) 20.873 7.633 ( -2.564 2.564 8.027) 8.808 7.965 ( -2.314 2.314 18.261) 18.552 8.273 ( 4.935 -4.935 6.514) 9.547 8.495 ( -8.054 8.054 -15.640) 19.348 8.824 ( 2.571 -2.571 -2.929) 4.669 9.054 ( 9.796 -9.796 7.137) 15.584 10.024 ( -14.960 14.960 0.827) 21.173 10.039 ( -1.195 1.195 -13.648) 13.752 10.307 ( -0.918 0.918 -3.582) 3.810 10.510 ( 3.915 -3.915 -2.229) 5.969 10.786 ( 3.770 -3.770 1.660) 5.583 10.820 ( -7.417 7.417 0.798) 10.519 11.295 ( 2.236 -2.236 -0.476) 3.198 11.334 ( 3.149 -3.149 0.654) 4.501 11.396 ( 7.018 -7.018 -6.349) 11.782 11.890 ( 1.419 -1.419 -1.797) 2.694 11.915 ( 1.942 -1.942 -3.446) 4.406 12.165 ( -6.181 6.181 0.666) 8.766 12.236 ( -1.141 1.141 7.838) 8.002 12.596 ( -6.302 6.302 10.738) 13.955 12.872 ( -3.371 3.371 2.770) 5.513 12.880 ( 6.814 -6.814 3.986) 10.429 13.023 ( 3.042 -3.042 -6.765) 8.017 13.283 ( -2.882 2.882 6.085) 7.324 13.614 ( 1.764 -1.764 -1.095) 2.724 13.633 ( -5.459 5.459 -14.884) 16.767 13.882 ( 2.958 -2.958 5.868) 7.207 14.198 ( -10.126 10.126 -3.422) 14.723 14.290 ( 4.988 -4.988 1.756) 7.269 14.348 ( -3.026 3.026 3.300) 5.405 14.829 ( -0.227 0.227 -19.779) 19.781 14.843 ( 0.573 -0.573 -8.113) 8.153 15.113 ( 2.779 -2.779 17.346) 17.786 15.128 ( 1.844 -1.844 2.790) 3.819 16.075 ( -25.900 25.900 -17.305) 40.510 16.830 ( -9.614 9.614 4.687) 14.382 17.363 ( -2.133 2.133 -0.160) 3.021 17.371 ( -3.418 3.418 2.015) 5.237 17.543 ( -2.302 2.302 -3.422) 4.723 17.572 ( -3.013 3.013 -2.942) 5.178 17.970 ( -3.930 3.930 -0.430) 5.575 18.213 ( 0.817 -0.817 -7.026) 7.120 18.256 ( 2.181 -2.181 4.864) 5.760 18.502 ( -0.668 0.668 -0.390) 1.021 18.561 ( -3.866 3.866 4.735) 7.233 18.688 ( 1.883 -1.883 2.671) 3.772 18.726 ( 4.004 -4.004 8.599) 10.296 19.351 ( 7.843 -7.843 16.277) 19.697 31.488 ( 0.541 -0.541 -2.162) 2.293 31.815 ( -0.154 0.154 -0.609) 0.647 31.816 ( -0.018 0.018 -1.720) 1.721 31.836 ( -0.984 0.984 0.296) 1.422 50.954 ( 1.494 -1.494 1.723) 2.727 51.005 ( 4.145 -4.145 2.425) 6.344 51.914 ( -0.624 0.624 -1.435) 1.684 52.351 ( 13.720 -13.720 15.752) 24.992 ======================= Grid point 55 (30/75) ======================= q-point: (-0.33 -0.08 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 4.160 -9.615 3.071) 10.917 2.963 ( 2.863 -13.964 0.237) 14.257 3.121 ( 4.430 0.304 0.829) 4.517 3.397 ( -3.645 0.845 12.618) 13.161 3.784 ( 2.146 -8.901 0.555) 9.173 4.175 ( 2.704 -11.405 -0.183) 11.722 5.507 ( -0.189 36.151 -17.981) 40.376 5.716 ( 6.619 38.803 -2.989) 39.476 6.208 ( -6.787 12.868 9.626) 17.444 6.472 ( -1.593 50.784 1.286) 50.825 6.875 ( -3.992 18.368 -16.436) 24.969 7.080 ( -9.756 -8.784 -4.801) 13.978 7.292 ( 2.786 4.464 15.165) 16.052 7.689 ( 3.218 -10.105 6.484) 12.430 7.892 ( 6.427 18.119 -5.969) 20.131 8.078 ( 11.393 1.398 2.199) 11.687 8.129 ( 3.825 -2.783 4.854) 6.778 8.445 ( 1.795 -3.900 -0.551) 4.328 8.527 ( -4.220 -6.505 -4.144) 8.792 8.683 ( -4.015 -5.895 -5.185) 8.818 8.873 ( -3.127 4.277 3.283) 6.233 9.022 ( -0.012 23.940 5.490) 24.561 9.769 ( 4.101 6.606 -0.502) 7.792 10.017 ( -1.975 -4.722 -0.617) 5.156 10.058 ( 3.341 1.086 -2.518) 4.322 10.308 ( -2.178 -8.493 0.803) 8.805 10.659 ( -4.862 -12.210 0.234) 13.144 10.907 ( 3.868 2.778 -4.875) 6.815 10.972 ( -7.172 -0.158 2.182) 7.498 11.476 ( -2.367 -4.120 -1.888) 5.113 11.521 ( -0.937 -11.737 -0.773) 11.800 11.857 ( 0.683 -4.219 -4.189) 5.985 12.013 ( -0.383 6.408 -9.901) 11.800 12.123 ( 5.070 9.778 1.045) 11.063 12.271 ( -2.042 5.541 7.959) 9.911 12.502 ( 5.656 -2.098 -17.418) 18.433 12.717 ( -3.212 0.859 -0.015) 3.325 12.880 ( -1.698 0.680 15.883) 15.988 13.159 ( 2.760 -6.019 8.483) 10.762 13.219 ( 0.807 -3.580 5.668) 6.752 13.641 ( 0.623 -1.177 -0.162) 1.341 13.718 ( -0.069 7.068 0.223) 7.072 13.856 ( 3.644 -1.036 1.805) 4.196 13.910 ( -0.646 2.231 3.051) 3.834 14.223 ( -5.149 -1.496 -3.159) 6.223 14.362 ( 7.318 4.851 1.347) 8.883 14.529 ( -5.074 -6.641 0.870) 8.403 14.988 ( -3.509 2.835 -16.481) 17.087 15.112 ( 1.782 -18.073 -1.431) 18.217 15.327 ( 2.974 2.980 9.040) 9.972 15.591 ( 6.502 -3.180 -5.483) 9.080 15.922 ( -7.349 -4.365 4.241) 9.542 16.637 ( 0.282 -2.705 -0.106) 2.721 17.123 ( -0.528 -12.620 -0.187) 12.632 17.394 ( 1.547 -9.965 0.434) 10.094 17.436 ( -0.219 -5.821 0.600) 5.856 17.843 ( 1.000 -1.003 -0.350) 1.459 18.167 ( -1.859 -3.178 0.498) 3.715 18.349 ( 1.708 0.980 -1.254) 2.335 18.384 ( -0.864 -0.789 2.057) 2.366 18.515 ( 0.889 0.813 -0.660) 1.374 18.651 ( -2.205 2.122 -0.368) 3.082 18.860 ( -0.692 0.453 0.564) 1.001 18.912 ( -2.327 -2.020 -0.231) 3.090 31.546 ( 0.956 -0.375 -0.069) 1.029 31.679 ( -0.154 -2.181 -0.299) 2.207 31.845 ( -0.153 0.221 0.296) 0.400 31.891 ( -0.004 -2.581 0.520) 2.633 51.134 ( 0.121 6.062 -0.017) 6.063 51.463 ( -3.644 2.344 -0.125) 4.335 51.712 ( 3.879 11.746 -0.094) 12.370 52.627 ( -3.740 -11.069 1.414) 11.769 ======================= Grid point 56 (31/75) ======================= q-point: ( 0.67 -0.08 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 8.029 -8.029 0.972) 11.396 2.793 ( 7.635 -7.635 2.613) 11.109 3.246 ( -1.355 1.355 17.098) 17.205 3.260 ( -0.771 0.771 2.597) 2.816 3.767 ( 4.548 -4.548 3.623) 7.382 4.036 ( 7.663 -7.663 2.103) 11.039 5.911 ( -29.728 29.728 -5.705) 42.427 6.230 ( -4.972 4.972 -16.303) 17.755 6.309 ( 0.229 -0.229 -11.324) 11.328 6.605 ( -2.650 2.650 -6.857) 7.814 7.077 ( -4.686 4.686 7.251) 9.824 7.232 ( -18.913 18.913 -1.064) 26.768 7.590 ( -2.170 2.170 6.367) 7.069 7.681 ( -16.225 16.225 13.685) 26.716 7.923 ( -10.686 10.686 -0.526) 15.121 8.003 ( -19.469 19.469 2.456) 27.642 8.122 ( 5.992 -5.992 14.089) 16.441 8.191 ( 6.463 -6.463 -1.090) 9.204 8.494 ( -3.386 3.386 -1.539) 5.029 8.592 ( 3.775 -3.775 -7.087) 8.872 9.120 ( -5.580 5.580 -0.096) 7.892 9.438 ( -13.184 13.184 10.792) 21.543 9.651 ( -9.228 9.228 -4.955) 13.959 9.881 ( 4.303 -4.303 -4.545) 7.596 10.097 ( 0.822 -0.822 2.338) 2.612 10.220 ( 3.220 -3.220 -3.770) 5.912 10.530 ( 9.939 -9.939 -1.602) 14.147 10.834 ( 15.088 -15.088 -3.657) 21.649 11.057 ( 0.154 -0.154 -1.485) 1.501 11.283 ( 2.365 -2.365 -5.161) 6.150 11.456 ( -2.416 2.416 -3.467) 4.868 11.821 ( 4.411 -4.411 -2.503) 6.721 12.071 ( -5.080 5.080 -15.859) 17.411 12.297 ( -4.884 4.884 7.385) 10.112 12.310 ( -2.085 2.085 5.547) 6.282 12.509 ( 0.733 -0.733 -17.588) 17.619 12.712 ( 1.156 -1.156 5.503) 5.740 12.882 ( -1.728 1.728 15.460) 15.652 13.117 ( 6.517 -6.517 2.579) 9.570 13.182 ( 3.502 -3.502 15.750) 16.510 13.633 ( -5.020 5.020 1.412) 7.238 13.797 ( -2.507 2.507 -0.417) 3.569 13.910 ( 1.190 -1.190 9.702) 9.847 13.949 ( 0.532 -0.532 -0.717) 1.039 14.175 ( -3.136 3.136 -5.201) 6.835 14.311 ( -0.592 0.592 -0.968) 1.280 14.658 ( 5.988 -5.988 -0.236) 8.472 14.720 ( 8.835 -8.835 -0.390) 12.500 15.031 ( -3.125 3.125 -15.430) 16.051 15.414 ( 2.506 -2.506 2.680) 4.443 15.593 ( -2.922 2.922 9.086) 9.981 15.841 ( 6.637 -6.637 -6.276) 11.291 16.697 ( 6.705 -6.705 2.010) 9.694 16.911 ( 8.169 -8.169 -2.349) 11.790 17.299 ( 4.919 -4.919 2.182) 7.291 17.365 ( 5.689 -5.689 -0.049) 8.046 17.862 ( -2.616 2.616 1.997) 4.204 18.106 ( 3.765 -3.765 -3.198) 6.211 18.355 ( -0.822 0.822 2.169) 2.461 18.402 ( -0.583 0.583 0.705) 1.085 18.525 ( -1.480 1.480 0.721) 2.214 18.650 ( -0.532 0.532 -3.704) 3.780 18.820 ( -0.869 0.869 0.174) 1.241 18.912 ( 4.868 -4.868 -2.677) 7.386 31.553 ( 0.078 -0.078 1.125) 1.130 31.651 ( 2.807 -2.807 -0.642) 4.022 31.848 ( -0.555 0.555 0.451) 0.905 31.859 ( -0.330 0.330 0.151) 0.491 51.223 ( -5.327 5.327 0.999) 7.599 51.401 ( -4.170 4.170 -3.780) 7.004 51.983 ( -2.192 2.192 6.004) 6.757 52.384 ( 3.709 -3.709 -5.601) 7.674 ======================= Grid point 59 (32/75) ======================= q-point: ( 0.29 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -0.000 31.583 8.398) 32.680 3.027 ( -0.000 27.821 16.728) 32.462 3.341 ( 0.000 -9.347 0.109) 9.347 3.345 ( 0.000 0.154 -22.514) 22.514 3.542 ( 0.000 4.967 -8.578) 9.913 3.935 ( 0.000 5.481 -4.533) 7.112 4.400 ( -0.000 12.736 5.568) 13.900 4.840 ( -0.000 2.405 12.733) 12.958 5.331 ( 0.000 -17.511 -11.597) 21.003 5.727 ( -0.000 22.504 21.580) 31.178 6.565 ( 0.000 -13.588 0.519) 13.598 6.735 ( -0.000 -6.937 14.901) 16.436 7.414 ( -0.000 21.892 1.987) 21.982 7.519 ( 0.000 6.471 -10.993) 12.756 7.786 ( 0.000 -0.871 0.441) 0.976 8.002 ( 0.000 -1.029 -5.446) 5.542 8.165 ( -0.000 11.588 10.330) 15.524 8.221 ( -0.000 12.293 1.650) 12.403 8.325 ( -0.000 23.318 -5.487) 23.955 8.412 ( -0.000 7.602 -3.878) 8.534 8.838 ( -0.000 27.169 -2.577) 27.291 9.348 ( 0.000 -23.519 4.770) 23.998 9.490 ( 0.000 -5.572 -6.849) 8.829 9.886 ( -0.000 2.309 7.253) 7.612 10.226 ( 0.000 -12.923 0.491) 12.932 10.415 ( -0.000 9.263 6.463) 11.295 10.729 ( 0.000 -2.606 -2.218) 3.422 10.768 ( -0.000 -3.004 4.239) 5.196 11.425 ( 0.000 -11.983 -9.758) 15.454 11.496 ( -0.000 2.217 2.940) 3.683 11.629 ( -0.000 9.620 0.067) 9.620 11.742 ( -0.000 11.475 0.447) 11.484 11.830 ( -0.000 0.335 8.962) 8.968 12.090 ( 0.000 -22.083 -0.083) 22.083 12.133 ( -0.000 5.494 8.630) 10.230 12.434 ( 0.000 -2.688 -10.878) 11.206 12.761 ( -0.000 -4.709 4.279) 6.362 12.922 ( 0.000 0.832 -4.649) 4.723 13.053 ( -0.000 6.807 7.225) 9.927 13.475 ( 0.000 7.547 -8.784) 11.581 13.601 ( 0.000 -0.190 -0.574) 0.604 13.768 ( -0.000 16.954 -8.258) 18.858 13.913 ( 0.000 -1.369 -5.459) 5.628 13.980 ( 0.000 -1.564 0.137) 1.570 14.100 ( 0.000 -6.560 -1.025) 6.640 14.431 ( 0.000 -9.758 2.689) 10.122 14.468 ( -0.000 -0.587 20.341) 20.350 14.753 ( -0.000 2.512 4.730) 5.356 15.123 ( -0.000 6.638 -2.296) 7.024 15.459 ( 0.000 1.143 -8.553) 8.629 15.761 ( -0.000 0.276 4.231) 4.240 16.361 ( 0.000 -18.812 -2.673) 19.001 16.842 ( 0.000 -14.180 0.667) 14.196 17.372 ( -0.000 -0.123 0.372) 0.392 17.509 ( 0.000 -0.122 -1.171) 1.177 17.653 ( -0.000 2.357 -1.084) 2.595 18.020 ( -0.000 -0.396 1.975) 2.014 18.127 ( -0.000 2.869 2.557) 3.843 18.367 ( 0.000 -2.914 -1.269) 3.178 18.408 ( -0.000 1.533 -0.564) 1.634 18.597 ( 0.000 -4.280 -0.944) 4.383 18.674 ( 0.000 -2.045 -1.682) 2.648 18.833 ( 0.000 -1.394 -3.012) 3.319 19.115 ( 0.000 -20.685 -3.360) 20.956 31.507 ( -0.000 2.392 0.881) 2.549 31.728 ( 0.000 -1.770 0.180) 1.779 31.858 ( 0.000 -0.115 -0.551) 0.563 31.992 ( -0.000 3.370 -1.660) 3.756 51.029 ( 0.000 0.642 -0.473) 0.797 51.254 ( -0.000 9.095 -1.069) 9.157 51.579 ( 0.000 -10.299 0.631) 10.318 53.057 ( 0.000 -3.711 -9.873) 10.548 ======================= Grid point 60 (33/75) ======================= q-point: ( 0.29 -0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -25.103 10.956 -9.055) 28.848 3.166 ( 8.708 -12.712 -1.525) 15.484 3.259 ( -7.824 5.047 -8.455) 12.577 3.535 ( 5.719 7.243 -6.345) 11.199 3.944 ( -9.546 17.583 -0.125) 20.008 4.285 ( 6.279 11.749 9.162) 16.168 4.603 ( 12.742 4.344 -3.931) 14.025 5.016 ( 24.864 11.574 7.093) 28.328 5.581 ( 46.385 -12.723 -9.025) 48.937 6.066 ( 14.955 -1.521 3.730) 15.488 6.308 ( -0.915 -9.108 12.114) 15.184 6.949 ( 20.502 -5.530 15.920) 26.540 7.329 ( -9.433 -7.186 3.049) 12.244 7.710 ( 1.090 10.079 -10.077) 14.294 7.852 ( 4.260 -1.377 -3.726) 5.825 8.036 ( 1.027 15.989 -1.467) 16.088 8.384 ( -3.920 7.939 -4.772) 10.058 8.430 ( -4.520 15.699 4.592) 16.970 8.568 ( 1.306 -7.133 0.054) 7.251 8.624 ( 10.087 -4.048 -1.288) 10.945 8.787 ( -4.705 -14.969 0.653) 15.704 9.133 ( -7.620 -3.869 -11.090) 14.001 9.661 ( 5.910 16.378 -1.828) 17.507 9.937 ( 1.945 4.206 7.417) 8.746 9.975 ( 0.764 -6.937 6.802) 9.746 10.505 ( -7.711 -1.862 -0.211) 7.936 10.682 ( 1.364 6.015 2.174) 6.540 10.721 ( 1.293 -5.566 5.888) 8.205 11.146 ( -1.865 -17.486 -10.683) 20.576 11.435 ( -1.728 -5.320 5.589) 7.907 11.592 ( -0.265 -13.694 8.270) 15.999 11.840 ( -1.904 6.018 1.069) 6.401 11.937 ( -7.087 8.603 0.473) 11.156 11.968 ( 5.002 9.119 0.288) 10.404 12.203 ( -3.086 5.047 11.907) 13.295 12.462 ( 5.568 -1.168 -14.704) 15.766 12.713 ( -1.079 1.077 -0.426) 1.583 13.016 ( 7.922 0.428 -6.738) 10.408 13.159 ( -0.590 3.381 7.031) 7.823 13.531 ( -2.730 2.558 -8.018) 8.848 13.661 ( 4.332 -1.373 -5.860) 7.415 13.740 ( -7.846 -2.143 0.542) 8.152 13.909 ( 1.570 -1.239 -5.313) 5.677 14.036 ( -1.074 3.831 -8.554) 9.434 14.140 ( 4.888 -3.667 -0.568) 6.137 14.327 ( -1.432 8.226 3.006) 8.874 14.524 ( 4.966 0.200 15.788) 16.551 14.641 ( -3.726 -6.694 2.561) 8.077 15.340 ( -8.632 16.494 5.042) 19.287 15.483 ( -1.666 -1.690 -6.359) 6.787 15.564 ( -5.624 -3.319 2.979) 7.178 16.067 ( -3.191 -8.060 -2.580) 9.045 16.671 ( -1.635 -0.624 0.773) 1.913 17.304 ( -6.659 -0.032 0.240) 6.664 17.515 ( -0.676 0.481 -1.401) 1.628 17.612 ( -8.911 3.294 -2.052) 9.719 17.909 ( -7.311 0.914 1.976) 7.629 18.218 ( 0.619 0.174 -1.533) 1.662 18.299 ( 0.483 -1.099 1.816) 2.177 18.446 ( -0.338 1.012 -0.910) 1.403 18.502 ( -0.864 -1.807 -0.239) 2.017 18.608 ( 0.211 -4.049 0.430) 4.077 18.844 ( 3.293 -4.932 -1.464) 6.108 18.893 ( 2.628 -4.670 0.946) 5.441 31.554 ( -0.489 2.821 0.125) 2.866 31.696 ( -0.470 -0.884 0.124) 1.009 31.851 ( -0.055 -0.521 -0.301) 0.604 31.977 ( -3.923 -0.058 -1.018) 4.054 51.050 ( 2.775 -0.759 -0.020) 2.877 51.401 ( 2.980 -9.893 0.394) 10.339 51.520 ( 7.676 9.078 -0.246) 11.891 52.851 ( -6.987 -10.173 -2.729) 12.639 ======================= Grid point 61 (34/75) ======================= q-point: ( 0.29 -0.09 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -16.284 17.136 -8.038) 24.968 2.963 ( -12.088 2.273 2.665) 12.586 3.376 ( 10.068 -2.026 -15.167) 18.317 3.617 ( 0.437 -1.869 -12.712) 12.856 3.983 ( -7.726 8.493 -6.872) 13.380 4.283 ( -12.386 6.079 -1.199) 13.850 5.012 ( 30.846 -14.753 8.732) 35.290 5.691 ( 7.425 8.659 19.327) 22.442 6.187 ( 6.191 -0.805 6.407) 8.946 6.398 ( 23.355 1.668 6.223) 24.227 6.590 ( 47.103 -11.412 -9.726) 49.432 6.783 ( 7.671 -3.390 4.866) 9.696 7.401 ( 17.480 -12.553 0.964) 21.542 7.733 ( 0.332 -21.379 -4.456) 21.841 7.860 ( 4.290 -5.593 -4.447) 8.334 7.962 ( -3.612 -26.138 5.248) 26.904 8.129 ( 11.838 -17.155 -14.599) 25.447 8.448 ( 0.802 -13.068 1.889) 13.228 8.559 ( -3.595 16.371 -6.272) 17.896 8.687 ( -9.360 11.976 -6.028) 16.352 8.827 ( 10.651 2.286 3.514) 11.446 9.241 ( 14.289 2.984 -0.495) 14.606 9.463 ( -0.718 -7.929 10.210) 12.947 10.054 ( -5.146 -4.913 -4.034) 8.179 10.078 ( -3.824 -3.342 -0.348) 5.090 10.305 ( -10.540 -2.999 1.652) 11.082 10.626 ( -2.524 16.545 3.991) 17.206 10.884 ( -0.142 -3.496 -0.027) 3.499 10.946 ( 4.258 10.803 5.017) 12.650 11.270 ( -4.305 -6.301 6.206) 9.836 11.462 ( -2.534 1.360 3.047) 4.191 11.788 ( -11.932 -0.610 8.931) 14.916 11.893 ( -4.128 5.034 -1.865) 6.772 12.180 ( -1.108 3.398 9.491) 10.142 12.320 ( 6.198 6.311 -2.052) 9.081 12.516 ( 2.081 -3.008 -11.936) 12.484 12.730 ( 1.113 -0.618 -2.710) 2.994 13.163 ( -1.725 0.857 6.743) 7.013 13.187 ( 8.867 -1.784 -15.938) 18.326 13.477 ( 3.468 -7.347 -9.483) 12.487 13.619 ( 0.374 -0.169 -2.613) 2.645 13.736 ( 2.755 -1.235 -3.547) 4.658 13.929 ( 2.152 0.307 -3.183) 3.854 14.036 ( 0.202 -0.244 4.274) 4.285 14.105 ( -2.538 -3.678 -0.069) 4.470 14.432 ( 1.395 -1.066 0.417) 1.805 14.472 ( -2.915 1.044 10.436) 10.886 14.684 ( -1.263 8.114 2.188) 8.498 15.149 ( -15.615 4.630 -3.742) 16.711 15.454 ( -6.019 6.969 4.637) 10.310 15.682 ( 0.261 6.302 -1.571) 6.500 15.892 ( -6.531 -0.237 0.487) 6.553 16.788 ( -0.797 14.225 -0.270) 14.250 17.115 ( -14.148 0.544 0.907) 14.187 17.471 ( -6.782 3.812 -1.943) 8.019 17.509 ( -8.512 4.999 -1.282) 9.955 17.863 ( 0.832 0.280 -1.474) 1.716 18.100 ( -3.648 -2.762 3.920) 6.026 18.386 ( 2.780 1.196 -1.941) 3.596 18.419 ( -0.616 -0.564 -3.030) 3.143 18.506 ( 0.835 -0.651 0.846) 1.356 18.557 ( 0.868 -2.157 3.379) 4.102 18.806 ( 1.408 -1.616 -0.559) 2.215 18.913 ( -1.609 2.489 3.517) 4.599 31.589 ( -0.591 1.721 -1.578) 2.408 31.679 ( -1.957 1.517 1.478) 2.883 31.846 ( 0.629 -0.173 -0.521) 0.835 31.888 ( -2.544 -1.517 -0.839) 3.078 51.113 ( 6.694 -2.428 -0.319) 7.127 51.264 ( 3.591 -9.925 2.016) 10.745 51.917 ( 11.994 10.624 -1.983) 16.145 52.449 ( -10.158 -12.763 1.900) 16.423 ======================= Grid point 69 (35/75) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.000 -0.000 -44.320) 44.320 0.915 ( 0.000 -0.000 -44.320) 44.320 1.444 ( 0.000 -0.000 -72.407) 72.407 3.788 ( -0.000 0.000 3.366) 3.366 3.788 ( -0.000 0.000 3.366) 3.366 3.848 ( -0.000 0.000 9.908) 9.908 3.848 ( -0.000 0.000 9.908) 9.908 4.292 ( 0.000 -0.000 -3.487) 3.487 5.954 ( 0.000 -0.000 -7.995) 7.995 5.954 ( 0.000 -0.000 -7.995) 7.995 6.078 ( -0.000 0.000 5.241) 5.241 6.830 ( 0.000 -0.000 -2.707) 2.707 7.094 ( 0.000 -0.000 -1.805) 1.805 7.234 ( -0.000 0.000 6.540) 6.540 7.234 ( -0.000 0.000 6.540) 6.540 7.897 ( -0.000 0.000 8.684) 8.684 7.973 ( -0.000 0.000 11.030) 11.030 8.161 ( 0.000 -0.000 -6.093) 6.093 8.161 ( 0.000 -0.000 -6.093) 6.093 8.730 ( -0.000 0.000 4.636) 4.636 8.730 ( -0.000 0.000 4.636) 4.636 8.829 ( -0.000 0.000 1.206) 1.206 9.805 ( 0.000 -0.000 -8.393) 8.393 10.017 ( 0.000 -0.000 -12.011) 12.011 10.535 ( 0.000 -0.000 -2.036) 2.036 10.545 ( -0.000 0.000 3.698) 3.698 10.545 ( -0.000 0.000 3.698) 3.698 10.945 ( 0.000 -0.000 -2.232) 2.232 11.171 ( 0.000 -0.000 -4.957) 4.957 11.171 ( 0.000 -0.000 -4.957) 4.957 11.191 ( 0.000 -0.000 -0.277) 0.277 11.902 ( -0.000 0.000 2.703) 2.703 11.902 ( -0.000 0.000 2.703) 2.703 12.406 ( -0.000 0.000 8.599) 8.599 12.643 ( -0.000 0.000 15.643) 15.643 12.797 ( 0.000 -0.000 -9.201) 9.201 12.855 ( -0.000 0.000 9.192) 9.192 12.855 ( -0.000 0.000 9.192) 9.192 13.100 ( -0.000 0.000 4.142) 4.142 13.383 ( -0.000 0.000 0.437) 0.437 13.541 ( 0.000 -0.000 -1.932) 1.932 13.706 ( 0.000 -0.000 -20.235) 20.235 13.944 ( -0.000 0.000 7.208) 7.208 13.944 ( -0.000 0.000 7.208) 7.208 14.414 ( 0.000 -0.000 -0.597) 0.597 14.414 ( 0.000 -0.000 -0.597) 0.597 14.478 ( 0.000 -0.000 -18.028) 18.028 14.478 ( 0.000 -0.000 -18.028) 18.028 15.319 ( -0.000 0.000 9.689) 9.689 15.413 ( -0.000 0.000 15.715) 15.715 17.092 ( -0.000 0.000 0.150) 0.150 17.350 ( -0.000 0.000 3.143) 3.143 17.375 ( 0.000 -0.000 -0.100) 0.100 17.375 ( 0.000 -0.000 -0.100) 0.100 17.596 ( 0.000 -0.000 -0.811) 0.811 17.596 ( 0.000 -0.000 -0.811) 0.811 18.038 ( 0.000 -0.000 -1.062) 1.062 18.038 ( 0.000 -0.000 -1.062) 1.062 18.061 ( 0.000 -0.000 -4.753) 4.753 18.336 ( -0.000 0.000 0.312) 0.312 18.500 ( 0.000 -0.000 -0.562) 0.562 18.725 ( -0.000 0.000 2.763) 2.763 18.725 ( -0.000 0.000 2.763) 2.763 19.117 ( -0.000 0.000 2.397) 2.397 31.444 ( 0.000 -0.000 -1.122) 1.122 31.789 ( 0.000 -0.000 -1.545) 1.545 31.805 ( 0.000 -0.000 -1.020) 1.020 31.859 ( -0.000 0.000 0.659) 0.659 50.963 ( -0.000 0.000 1.443) 1.443 50.963 ( -0.000 0.000 1.443) 1.443 51.916 ( 0.000 -0.000 -0.325) 0.325 51.916 ( 0.000 -0.000 -0.325) 0.325 ======================= Grid point 71 (36/75) ======================= q-point: (-0.10 -0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 2.410 2.410 -18.356) 18.670 2.478 ( 3.717 3.717 -2.923) 6.014 3.213 ( 3.065 3.065 20.013) 20.477 3.599 ( 3.115 3.115 5.457) 7.013 3.801 ( -0.686 -0.686 -0.366) 1.037 3.961 ( 0.458 0.458 1.518) 1.651 4.969 ( 12.013 12.013 -14.396) 22.268 5.212 ( 38.990 38.990 -26.943) 61.370 5.288 ( 22.681 22.681 -5.448) 32.535 6.819 ( 6.420 6.420 0.822) 9.116 6.844 ( 8.197 8.197 9.832) 15.200 7.133 ( 5.411 5.411 17.319) 18.934 7.196 ( 12.411 12.411 -2.333) 17.706 7.325 ( 17.684 17.684 -1.615) 25.061 7.498 ( -7.823 -7.823 -16.071) 19.511 7.536 ( 2.375 2.375 2.633) 4.268 7.987 ( -1.747 -1.747 5.935) 6.428 8.025 ( 21.960 21.960 -10.913) 32.918 8.204 ( 0.270 0.270 6.004) 6.016 8.230 ( 0.120 0.120 -7.341) 7.343 9.212 ( 6.347 6.347 9.798) 13.287 9.347 ( 7.284 7.284 -4.699) 11.322 9.361 ( -17.598 -17.598 -0.678) 24.896 9.858 ( 1.270 1.270 -5.712) 5.988 10.305 ( 1.881 1.881 2.138) 3.414 10.567 ( -7.427 -7.427 2.538) 10.806 10.596 ( 1.871 1.871 -4.594) 5.301 10.827 ( -1.610 -1.610 -1.398) 2.672 11.422 ( 4.091 4.091 -0.139) 5.788 11.464 ( 0.174 0.174 1.110) 1.137 11.691 ( 11.379 11.379 -0.995) 16.123 11.773 ( -4.147 -4.147 -11.777) 13.157 11.812 ( -6.990 -6.990 1.619) 10.017 11.882 ( 0.547 0.547 -5.141) 5.198 12.236 ( -15.804 -15.804 -3.437) 22.613 12.486 ( 1.906 1.906 11.450) 11.762 12.895 ( 0.034 0.034 -6.016) 6.017 13.011 ( 0.846 0.846 7.523) 7.618 13.075 ( 5.905 5.905 -6.274) 10.445 13.315 ( 2.136 2.136 8.328) 8.859 13.483 ( 6.946 6.946 4.888) 10.972 13.728 ( -8.327 -8.327 -1.014) 11.820 13.732 ( 3.972 3.972 0.945) 5.697 14.085 ( 1.518 1.518 6.446) 6.794 14.332 ( -1.646 -1.646 3.871) 4.517 14.389 ( -4.142 -4.142 -5.016) 7.711 14.602 ( 4.740 4.740 -7.228) 9.858 14.694 ( 3.907 3.907 -16.672) 17.563 15.072 ( -8.894 -8.894 2.883) 12.904 15.236 ( -8.066 -8.066 -3.514) 11.936 15.520 ( 2.528 2.528 5.969) 6.958 16.497 ( -10.646 -10.646 2.601) 15.279 17.035 ( -11.961 -11.961 -0.025) 16.916 17.244 ( -4.861 -4.861 1.337) 7.004 17.372 ( -4.464 -4.464 -2.544) 6.806 17.532 ( -0.306 -0.306 0.716) 0.836 17.805 ( -3.249 -3.249 -0.533) 4.626 18.167 ( 2.877 2.877 -3.464) 5.344 18.393 ( 1.691 1.691 2.078) 3.169 18.433 ( -5.809 -5.809 1.885) 8.428 18.464 ( -0.627 -0.627 -0.596) 1.069 18.784 ( 1.283 1.283 0.715) 1.950 18.865 ( -1.981 -1.981 3.725) 4.661 19.478 ( -13.527 -13.527 8.132) 20.787 31.481 ( 0.763 0.763 -1.060) 1.513 31.725 ( -2.030 -2.030 -1.175) 3.103 31.851 ( 1.270 1.270 0.849) 1.987 31.857 ( 0.029 0.029 0.962) 0.962 51.052 ( 2.729 2.729 0.337) 3.874 51.285 ( 8.169 8.169 2.106) 11.743 51.810 ( -2.897 -2.897 -2.371) 4.734 52.926 ( -4.461 -4.461 13.580) 14.974 ======================= Grid point 72 (37/75) ======================= q-point: (-0.10 -0.10 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -2.446 -2.446 -6.161) 7.066 2.396 ( -4.831 -4.831 -6.881) 9.697 3.466 ( 4.827 4.827 27.521) 28.355 3.721 ( 2.793 2.793 9.290) 10.095 3.859 ( 1.565 1.565 -4.865) 5.345 3.860 ( -5.229 -5.229 8.506) 11.271 5.128 ( 12.185 12.185 -32.884) 37.125 6.117 ( 12.224 12.224 -8.792) 19.395 6.758 ( -3.149 -3.149 -4.024) 6.002 6.892 ( 13.314 13.314 3.279) 19.112 7.175 ( -4.475 -4.475 -5.225) 8.207 7.176 ( 11.540 11.540 11.376) 19.893 7.333 ( 24.672 24.672 -0.837) 34.901 7.662 ( 6.568 6.568 3.126) 9.800 7.846 ( 5.335 5.335 8.032) 11.020 7.971 ( 12.058 12.058 0.843) 17.073 8.135 ( 14.348 14.348 5.487) 21.021 8.193 ( -0.556 -0.556 -4.769) 4.833 8.356 ( 4.322 4.322 -6.944) 9.251 8.638 ( -17.411 -17.411 -2.351) 24.735 8.876 ( 20.793 20.793 -3.736) 29.643 9.515 ( 7.892 7.892 5.576) 12.476 9.681 ( 10.740 10.740 -0.754) 15.207 9.934 ( 2.632 2.632 -4.427) 5.784 10.153 ( -8.852 -8.852 7.922) 14.815 10.302 ( -6.084 -6.084 2.221) 8.886 10.650 ( -8.320 -8.320 0.968) 11.806 10.775 ( 5.986 5.986 -10.203) 13.258 11.054 ( -26.965 -26.965 2.653) 38.226 11.313 ( -6.708 -6.708 -2.912) 9.924 11.545 ( 1.429 1.429 4.759) 5.170 11.659 ( -2.323 -2.323 -5.936) 6.785 11.912 ( 0.772 0.772 -11.391) 11.443 11.971 ( -1.553 -1.553 -16.127) 16.276 12.131 ( 10.399 10.399 -0.319) 14.710 12.504 ( -0.981 -0.981 4.496) 4.706 12.936 ( 0.961 0.961 3.065) 3.353 12.964 ( -1.884 -1.884 3.708) 4.566 13.311 ( 5.437 5.437 7.294) 10.598 13.469 ( 3.562 3.562 21.615) 22.194 13.600 ( 3.419 3.419 -0.959) 4.929 13.763 ( 7.284 7.284 5.937) 11.890 13.868 ( 2.721 2.721 2.266) 4.466 14.071 ( -2.263 -2.263 6.136) 6.921 14.218 ( -4.073 -4.073 -4.363) 7.226 14.338 ( 2.246 2.246 2.888) 4.293 14.651 ( -11.382 -11.382 -0.305) 16.099 14.712 ( -0.401 -0.401 -5.239) 5.270 14.825 ( 1.703 1.703 -21.322) 21.458 14.957 ( -5.294 -5.294 -8.344) 11.210 15.641 ( 3.899 3.899 5.850) 8.039 16.115 ( -8.977 -8.977 3.701) 13.224 16.647 ( -6.520 -6.520 -0.541) 9.237 16.974 ( -9.411 -9.411 0.878) 13.338 17.221 ( -2.463 -2.463 -1.293) 3.715 17.396 ( -5.474 -5.474 1.010) 7.806 17.813 ( 3.112 3.112 -0.541) 4.434 18.201 ( -6.120 -6.120 1.387) 8.765 18.308 ( 4.245 4.245 -0.313) 6.012 18.443 ( 0.548 0.548 1.801) 1.961 18.461 ( 0.786 0.786 -1.689) 2.021 18.751 ( -3.843 -3.843 0.910) 5.510 18.817 ( 0.404 0.404 0.007) 0.572 19.011 ( -9.055 -9.055 1.926) 12.949 31.514 ( 1.007 1.007 -0.679) 1.577 31.640 ( -2.261 -2.261 -0.596) 3.253 31.862 ( 0.220 0.220 0.641) 0.713 31.879 ( 0.211 0.211 0.786) 0.841 51.195 ( 4.728 4.728 -0.386) 6.697 51.560 ( 0.419 0.419 3.933) 3.977 51.765 ( 6.189 6.189 -4.639) 9.906 52.628 ( -10.340 -10.340 5.044) 15.468 ======================= Grid point 73 (38/75) ======================= q-point: (-0.10 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -3.750 -3.750 -6.908) 8.709 2.210 ( 3.750 3.750 -6.908) 8.709 3.642 ( -5.220 -5.220 18.565) 19.978 3.642 ( 5.220 5.220 18.565) 19.978 3.823 ( -2.490 -2.490 3.475) 4.947 3.823 ( 2.490 2.490 3.475) 4.947 5.781 ( -18.659 -18.659 -24.365) 35.916 5.781 ( 18.659 18.659 -24.365) 35.916 7.021 ( -1.742 -1.742 4.036) 4.728 7.021 ( 1.742 1.742 4.036) 4.728 7.122 ( -1.407 -1.407 4.809) 5.204 7.122 ( 1.407 1.407 4.809) 5.204 7.915 ( -5.942 -5.942 2.523) 8.774 7.915 ( 5.942 5.942 2.523) 8.774 8.071 ( -8.748 -8.748 -0.767) 12.396 8.071 ( 8.748 8.748 -0.767) 12.396 8.323 ( -5.021 -5.021 2.129) 7.412 8.323 ( 5.021 5.021 2.129) 7.412 8.480 ( -5.439 -5.439 -2.606) 8.122 8.480 ( 5.439 5.439 -2.606) 8.122 9.575 ( -17.293 -17.293 2.042) 24.541 9.575 ( 17.293 17.293 2.042) 24.541 10.011 ( -18.372 -18.372 3.201) 26.179 10.011 ( 18.372 18.372 3.201) 26.179 10.098 ( -2.465 -2.465 -0.416) 3.510 10.098 ( 2.465 2.465 -0.416) 3.510 10.213 ( -12.585 -12.585 -0.007) 17.798 10.213 ( 12.585 12.585 -0.007) 17.798 11.043 ( -6.997 -6.997 -8.166) 12.829 11.043 ( 6.997 6.997 -8.166) 12.829 11.590 ( -0.724 -0.724 0.233) 1.050 11.590 ( 0.724 0.724 0.233) 1.050 11.938 ( -0.206 -0.206 -15.219) 15.222 11.938 ( 0.206 0.206 -15.219) 15.222 12.416 ( -4.287 -4.287 1.194) 6.179 12.416 ( 4.287 4.287 1.194) 6.179 12.929 ( -0.040 -0.040 3.840) 3.840 12.929 ( 0.040 0.040 3.840) 3.840 13.484 ( -2.667 -2.667 22.731) 23.042 13.484 ( 2.667 2.667 22.731) 23.042 13.831 ( -5.535 -5.535 1.168) 7.914 13.831 ( 5.535 5.535 1.168) 7.914 14.006 ( -1.930 -1.930 7.754) 8.221 14.006 ( 1.930 1.930 7.754) 8.221 14.193 ( -6.722 -6.722 -7.659) 12.208 14.193 ( 6.722 6.722 -7.659) 12.208 14.546 ( -5.663 -5.663 2.846) 8.500 14.546 ( 5.663 5.663 2.846) 8.500 14.875 ( -0.270 -0.270 -19.842) 19.845 14.875 ( 0.270 0.270 -19.842) 19.845 15.829 ( -6.076 -6.076 4.333) 9.623 15.829 ( 6.076 6.076 4.333) 9.623 16.636 ( -5.855 -5.855 -0.143) 8.282 16.636 ( 5.855 5.855 -0.143) 8.282 17.225 ( -2.677 -2.677 0.412) 3.808 17.225 ( 2.677 2.677 0.412) 3.808 17.981 ( -5.274 -5.274 0.236) 7.463 17.981 ( 5.274 5.274 0.236) 7.463 18.423 ( -1.449 -1.449 2.288) 3.071 18.423 ( 1.449 1.449 2.288) 3.071 18.573 ( -4.945 -4.945 -2.391) 7.391 18.573 ( 4.945 4.945 -2.391) 7.391 18.834 ( -1.233 -1.233 0.307) 1.771 18.834 ( 1.233 1.233 0.307) 1.771 31.564 ( -1.655 -1.655 -0.347) 2.366 31.564 ( 1.655 1.655 -0.347) 2.366 31.874 ( -0.355 -0.355 0.571) 0.760 31.874 ( 0.355 0.355 0.571) 0.760 51.398 ( -5.587 -5.587 -0.334) 7.909 51.398 ( 5.587 5.587 -0.334) 7.909 52.184 ( -12.325 -12.325 0.877) 17.453 52.184 ( 12.325 12.325 0.877) 17.453 ======================= Grid point 78 (39/75) ======================= q-point: (-0.49 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -0.000 -19.959 18.337) 27.104 3.038 ( 0.000 3.469 -10.858) 11.399 3.299 ( -0.000 6.702 2.482) 7.146 3.329 ( 0.000 3.123 -14.798) 15.124 4.084 ( 0.000 -14.014 -31.864) 34.809 4.272 ( 0.000 -2.364 -16.932) 17.096 4.451 ( -0.000 0.858 0.033) 0.859 4.793 ( -0.000 -7.575 7.249) 10.484 4.987 ( -0.000 33.008 4.363) 33.295 6.123 ( -0.000 10.103 6.996) 12.289 6.845 ( -0.000 -5.506 15.740) 16.676 7.019 ( -0.000 6.776 29.008) 29.789 7.140 ( 0.000 -18.547 -27.098) 32.837 7.394 ( 0.000 -3.730 -4.100) 5.543 7.680 ( -0.000 -11.137 8.523) 14.024 7.735 ( 0.000 -35.174 -9.592) 36.458 8.179 ( 0.000 -8.742 -1.773) 8.920 8.322 ( 0.000 -27.812 -1.254) 27.840 8.468 ( 0.000 -22.403 5.485) 23.065 8.475 ( -0.000 14.225 -6.071) 15.467 8.774 ( -0.000 10.473 -5.760) 11.952 9.220 ( -0.000 8.588 5.207) 10.043 9.790 ( 0.000 6.778 -15.742) 17.140 9.978 ( -0.000 -3.479 11.019) 11.555 10.129 ( -0.000 3.945 1.426) 4.194 10.656 ( -0.000 2.181 -1.183) 2.482 10.731 ( 0.000 -3.657 -6.053) 7.072 10.841 ( -0.000 2.734 3.757) 4.647 10.947 ( -0.000 14.560 12.353) 19.094 11.452 ( -0.000 -5.522 4.539) 7.148 11.524 ( -0.000 -8.034 8.115) 11.419 11.877 ( 0.000 -2.850 -10.987) 11.351 12.018 ( -0.000 3.641 0.603) 3.691 12.041 ( 0.000 -0.166 -5.439) 5.442 12.253 ( -0.000 12.296 1.036) 12.340 12.476 ( 0.000 -7.579 1.034) 7.649 12.854 ( -0.000 9.831 7.716) 12.497 12.854 ( 0.000 -1.464 -1.739) 2.273 13.196 ( 0.000 -8.203 -12.061) 14.586 13.242 ( 0.000 -3.049 -0.569) 3.102 13.571 ( -0.000 0.026 0.994) 0.994 13.807 ( 0.000 -4.367 -2.040) 4.820 13.823 ( 0.000 -0.556 -0.600) 0.818 14.029 ( -0.000 4.516 2.265) 5.052 14.029 ( 0.000 6.723 -5.242) 8.525 14.506 ( 0.000 1.445 -1.069) 1.797 14.691 ( -0.000 8.516 -0.787) 8.553 14.837 ( -0.000 -2.606 21.288) 21.447 15.217 ( 0.000 -1.184 -14.482) 14.531 15.332 ( 0.000 -11.801 -5.799) 13.149 15.924 ( -0.000 8.725 -1.793) 8.907 16.151 ( -0.000 15.633 6.317) 16.861 16.840 ( -0.000 13.153 1.207) 13.209 17.374 ( -0.000 -0.184 0.412) 0.451 17.513 ( 0.000 2.710 -2.215) 3.500 17.680 ( 0.000 1.076 -3.236) 3.410 18.062 ( -0.000 0.178 1.165) 1.179 18.209 ( -0.000 0.016 0.322) 0.322 18.289 ( -0.000 -0.604 1.437) 1.558 18.431 ( 0.000 -1.713 -1.273) 2.134 18.491 ( -0.000 2.003 2.481) 3.189 18.592 ( -0.000 -1.173 1.573) 1.962 18.738 ( 0.000 -2.178 0.417) 2.217 18.946 ( -0.000 7.602 4.951) 9.072 31.566 ( 0.000 -0.613 -1.906) 2.002 31.721 ( -0.000 2.489 0.867) 2.636 31.840 ( 0.000 -0.627 0.024) 0.627 31.966 ( 0.000 -2.950 -0.804) 3.057 50.999 ( 0.000 -2.192 0.849) 2.350 51.193 ( 0.000 -9.775 1.617) 9.908 51.615 ( -0.000 9.719 -0.934) 9.764 52.719 ( 0.000 -11.664 4.340) 12.445 ======================= Grid point 79 (40/75) ======================= q-point: (-0.49 -0.11 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 6.132 -16.592 -0.617) 17.700 3.071 ( 0.441 -0.108 3.448) 3.478 3.288 ( -5.392 1.646 -20.953) 21.698 3.467 ( -2.305 7.185 1.831) 7.764 3.838 ( 12.013 -15.207 -17.857) 26.352 4.139 ( -3.316 -10.202 -9.057) 14.040 4.621 ( 1.707 -1.622 -7.710) 8.062 5.011 ( 37.951 3.347 -12.676) 40.152 5.943 ( 29.647 12.174 -4.076) 32.307 6.359 ( 1.269 5.299 2.420) 5.962 6.418 ( 6.085 -37.209 -5.912) 38.164 6.752 ( -1.717 0.237 19.369) 19.446 7.023 ( -13.191 1.555 11.739) 17.726 7.188 ( -3.869 -9.716 -1.093) 10.515 7.406 ( -6.641 -29.064 5.198) 30.263 7.643 ( 3.248 -8.557 2.000) 9.368 7.656 ( 16.918 -1.166 -2.330) 17.118 8.065 ( 6.652 -25.541 3.009) 26.564 8.254 ( 16.138 -9.944 3.384) 19.256 8.662 ( -5.234 8.510 -13.833) 17.064 8.940 ( 0.558 5.302 -10.641) 11.902 9.121 ( 4.328 -15.399 13.215) 20.748 9.754 ( -14.528 12.074 -3.300) 19.176 10.125 ( -0.095 8.034 5.098) 9.515 10.206 ( -2.097 5.617 -5.841) 8.371 10.602 ( -10.609 5.517 4.009) 12.612 10.701 ( 4.489 -3.730 -5.210) 7.823 10.834 ( -0.872 -1.289 1.294) 2.024 11.203 ( 1.650 3.745 8.613) 9.536 11.337 ( -0.823 -4.832 5.654) 7.483 11.673 ( 10.377 13.591 2.646) 17.303 11.842 ( 7.053 -6.482 -16.548) 19.121 12.050 ( -2.973 4.025 1.508) 5.226 12.140 ( 4.355 2.489 -3.588) 6.167 12.200 ( -13.923 -5.162 -0.827) 14.872 12.359 ( -3.227 -2.462 1.554) 4.346 12.838 ( 1.207 -0.482 -3.616) 3.843 12.987 ( -2.602 6.167 12.898) 14.532 13.041 ( 6.284 -10.423 -3.665) 12.710 13.188 ( 2.091 -3.876 -2.032) 4.850 13.616 ( 3.105 1.026 1.682) 3.677 13.717 ( -5.459 1.055 -2.413) 6.061 13.846 ( 3.463 -1.416 0.981) 3.868 14.097 ( -2.691 4.465 -1.572) 5.445 14.175 ( -0.237 5.504 3.400) 6.474 14.415 ( -5.519 -0.043 -6.725) 8.700 14.781 ( 0.993 -0.655 16.295) 16.339 14.834 ( -0.032 -0.512 6.012) 6.034 15.182 ( -1.350 -1.404 -13.323) 13.465 15.309 ( 6.088 1.991 -11.725) 13.360 15.926 ( -16.174 12.494 -7.527) 21.780 16.439 ( -7.546 16.829 8.694) 20.390 17.130 ( -1.521 16.453 0.887) 16.547 17.335 ( -4.949 0.745 0.517) 5.031 17.559 ( -0.712 2.735 -3.469) 4.474 17.627 ( -5.996 0.916 -4.297) 7.434 17.931 ( -8.433 0.216 0.546) 8.453 18.212 ( 2.624 -2.674 5.397) 6.570 18.318 ( 1.245 1.955 -2.766) 3.608 18.416 ( -3.794 0.933 0.678) 3.965 18.490 ( -0.222 0.058 1.315) 1.335 18.613 ( 2.379 0.814 4.304) 4.984 18.718 ( 1.959 -3.018 0.266) 3.608 19.123 ( 3.178 4.177 9.603) 10.944 31.551 ( 0.161 -0.730 -2.682) 2.784 31.772 ( 0.089 1.982 1.923) 2.763 31.830 ( -0.284 0.572 -1.179) 1.341 31.881 ( -2.543 -2.060 -1.654) 3.667 50.972 ( 2.487 -3.042 1.057) 4.069 51.065 ( 3.809 -7.459 2.461) 8.729 51.862 ( 7.091 7.507 -1.573) 10.446 52.406 ( -2.357 -15.257 7.661) 17.234 ======================= Grid point 83 (41/75) ======================= q-point: ( 0.51 -0.11 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 12.069 -5.416 5.529) 14.338 2.824 ( -10.923 -18.501 6.815) 22.540 3.032 ( -4.997 2.688 -1.823) 5.960 3.439 ( 1.264 0.495 -11.330) 11.411 3.821 ( 5.543 -0.682 3.331) 6.503 4.094 ( -5.984 -8.869 5.141) 11.870 5.356 ( -12.782 20.990 5.841) 25.260 5.632 ( -4.308 52.117 13.016) 53.890 6.307 ( -7.332 20.123 0.100) 21.417 6.529 ( 7.590 29.926 -6.156) 31.481 6.911 ( -1.451 23.503 5.036) 24.080 7.111 ( -10.166 -2.633 -5.376) 11.797 7.232 ( -2.452 -3.420 -12.311) 13.011 7.459 ( -25.836 3.729 3.185) 26.297 7.646 ( -3.282 -3.654 -0.612) 4.950 7.858 ( -1.179 4.105 10.589) 11.418 8.117 ( -9.973 0.236 1.839) 10.143 8.167 ( -19.453 1.829 -3.106) 19.784 8.412 ( -3.058 -0.857 7.591) 8.229 8.708 ( -18.318 3.592 0.363) 18.670 9.028 ( 17.427 -11.183 6.081) 21.581 9.052 ( 1.548 20.386 -8.816) 22.264 9.591 ( -10.262 2.913 0.735) 10.693 10.008 ( -1.345 -0.208 5.018) 5.200 10.115 ( 7.030 -3.074 -4.791) 9.046 10.392 ( 5.273 -7.935 -2.411) 9.827 10.731 ( 1.996 -1.500 0.211) 2.506 10.850 ( -3.700 1.553 3.526) 5.342 11.247 ( 17.467 -1.593 -8.610) 19.539 11.465 ( -2.985 -1.990 -2.106) 4.160 11.555 ( 4.900 -14.431 -0.274) 15.243 11.884 ( 2.864 -3.351 6.144) 7.562 11.959 ( -8.094 10.037 4.849) 13.776 12.053 ( -0.695 5.628 6.819) 8.869 12.282 ( -0.624 2.473 -9.440) 9.779 12.363 ( -6.666 -0.412 14.275) 15.760 12.824 ( 3.804 1.254 -4.409) 5.957 12.936 ( 5.975 1.081 -3.447) 6.982 13.117 ( -1.561 -6.263 -9.768) 11.708 13.209 ( -0.835 -0.765 0.984) 1.500 13.590 ( -3.035 -2.455 -1.027) 4.036 13.691 ( -1.494 3.461 4.609) 5.954 13.788 ( -3.158 -0.452 1.293) 3.442 13.957 ( 3.045 3.883 -3.510) 6.055 14.229 ( -1.326 1.214 -4.228) 4.594 14.356 ( 2.243 -3.762 2.078) 4.848 14.680 ( 10.459 -0.321 -2.209) 10.695 14.999 ( -8.077 -12.968 4.144) 15.830 15.061 ( 4.286 6.333 14.560) 16.446 15.260 ( -3.984 -1.592 -5.090) 6.657 15.486 ( -3.614 -5.363 3.748) 7.475 16.155 ( 14.308 -6.651 -7.125) 17.312 16.770 ( 13.022 -4.095 0.477) 13.659 17.156 ( 2.360 -11.256 -0.884) 11.535 17.381 ( 0.846 -8.706 2.098) 8.995 17.477 ( 3.144 -4.195 -0.522) 5.268 17.811 ( -1.534 -2.032 1.180) 2.806 18.234 ( 3.948 -0.349 -1.253) 4.157 18.319 ( -0.727 -3.110 1.283) 3.442 18.383 ( -1.113 1.389 -1.808) 2.537 18.488 ( -1.187 -0.192 1.125) 1.647 18.706 ( 3.299 2.120 -3.113) 5.007 18.821 ( -2.612 -0.314 -1.611) 3.085 19.083 ( 12.083 -3.882 -4.403) 13.433 31.526 ( -1.012 -0.007 1.395) 1.724 31.704 ( 2.252 -2.290 0.550) 3.258 31.842 ( -0.400 0.184 -0.686) 0.815 31.871 ( -1.834 -1.606 -0.495) 2.487 51.105 ( -2.697 4.885 0.053) 5.580 51.385 ( -8.248 6.027 -3.641) 10.845 51.780 ( 7.009 5.972 4.290) 10.159 52.657 ( -0.366 -8.287 -8.528) 11.897 ======================= Grid point 86 (42/75) ======================= q-point: ( 0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.000 46.283 0.000) 46.283 2.031 ( -0.000 50.332 0.000) 50.332 3.548 ( -0.000 66.330 0.000) 66.330 3.550 ( 0.000 -11.234 -0.000) 11.234 3.762 ( 0.000 -10.235 -0.000) 10.235 3.861 ( -0.000 3.839 0.000) 3.839 3.986 ( 0.000 -10.815 -0.000) 10.815 4.544 ( 0.000 -1.878 -0.000) 1.878 4.923 ( -0.000 14.946 0.000) 14.946 5.677 ( 0.000 -9.125 -0.000) 9.125 6.739 ( 0.000 -8.411 -0.000) 8.411 6.932 ( 0.000 -14.713 -0.000) 14.713 6.960 ( -0.000 28.312 0.000) 28.312 7.371 ( -0.000 48.825 0.000) 48.825 7.540 ( -0.000 18.609 0.000) 18.609 7.638 ( -0.000 16.465 0.000) 16.465 7.832 ( 0.000 -5.749 -0.000) 5.749 8.015 ( 0.000 -1.419 -0.000) 1.419 8.124 ( -0.000 10.106 0.000) 10.106 8.512 ( 0.000 -10.900 -0.000) 10.900 8.727 ( 0.000 -0.964 -0.000) 0.964 9.424 ( -0.000 13.000 0.000) 13.000 9.769 ( -0.000 1.745 0.000) 1.745 9.788 ( 0.000 -24.045 -0.000) 24.045 10.143 ( -0.000 10.517 0.000) 10.517 10.486 ( 0.000 -9.399 -0.000) 9.399 10.758 ( 0.000 -0.621 -0.000) 0.621 10.813 ( 0.000 -3.944 -0.000) 3.944 11.336 ( -0.000 9.068 0.000) 9.068 11.421 ( -0.000 11.136 0.000) 11.136 11.465 ( -0.000 13.429 0.000) 13.429 11.695 ( 0.000 -1.320 -0.000) 1.320 11.731 ( 0.000 -9.135 -0.000) 9.135 12.006 ( -0.000 1.878 0.000) 1.878 12.568 ( -0.000 0.622 0.000) 0.622 12.583 ( 0.000 -21.074 -0.000) 21.074 12.792 ( 0.000 -4.322 -0.000) 4.322 12.836 ( -0.000 3.126 0.000) 3.126 12.976 ( -0.000 0.393 0.000) 0.393 13.410 ( -0.000 5.026 0.000) 5.026 13.571 ( -0.000 17.961 0.000) 17.961 13.588 ( -0.000 2.017 0.000) 2.017 13.986 ( 0.000 -5.201 -0.000) 5.201 14.062 ( 0.000 -1.094 -0.000) 1.094 14.185 ( 0.000 -1.084 -0.000) 1.084 14.253 ( 0.000 -6.654 -0.000) 6.654 14.436 ( -0.000 5.667 0.000) 5.667 14.593 ( 0.000 -1.147 -0.000) 1.147 15.347 ( 0.000 -10.872 -0.000) 10.872 15.507 ( -0.000 2.820 0.000) 2.820 15.616 ( -0.000 5.915 0.000) 5.915 16.722 ( 0.000 -15.643 -0.000) 15.643 17.166 ( 0.000 -18.494 -0.000) 18.494 17.370 ( 0.000 -0.138 -0.000) 0.138 17.498 ( -0.000 2.425 0.000) 2.425 17.619 ( -0.000 1.814 0.000) 1.814 18.012 ( 0.000 -0.680 -0.000) 0.680 18.044 ( -0.000 1.946 0.000) 1.946 18.381 ( -0.000 1.858 0.000) 1.858 18.446 ( 0.000 -3.252 -0.000) 3.252 18.664 ( 0.000 -2.154 -0.000) 2.154 18.728 ( 0.000 -1.430 -0.000) 1.430 18.914 ( 0.000 -2.487 -0.000) 2.487 19.698 ( 0.000 -29.955 -0.000) 29.955 31.459 ( -0.000 1.512 0.000) 1.512 31.753 ( 0.000 -1.326 -0.000) 1.326 31.868 ( 0.000 -0.043 -0.000) 0.043 31.928 ( -0.000 5.389 0.000) 5.389 51.015 ( -0.000 1.376 0.000) 1.376 51.113 ( -0.000 6.775 0.000) 6.775 51.751 ( 0.000 -8.042 -0.000) 8.042 53.311 ( 0.000 -5.725 -0.000) 5.725 ======================= Grid point 87 (43/75) ======================= q-point: ( 0.12 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -14.878 25.081 -0.000) 29.162 3.036 ( -15.780 30.743 0.000) 34.556 3.409 ( 8.128 2.305 0.000) 8.449 3.441 ( 20.039 -7.492 0.000) 21.394 3.888 ( 0.998 -4.790 -0.000) 4.893 3.977 ( 2.191 6.345 0.000) 6.713 4.503 ( -5.566 4.856 -0.000) 7.386 4.597 ( 30.029 14.722 0.000) 33.444 5.654 ( 16.855 32.335 0.000) 36.465 5.995 ( 47.632 -11.098 0.000) 48.908 6.645 ( 8.429 -20.800 -0.000) 22.443 6.777 ( 18.613 -1.632 0.000) 18.684 7.294 ( -10.642 15.668 -0.000) 18.940 7.481 ( -8.157 -5.960 -0.000) 10.103 7.902 ( 8.552 2.907 0.000) 9.032 7.917 ( -9.317 22.281 0.000) 24.151 8.118 ( -1.549 15.244 0.000) 15.323 8.134 ( -0.904 13.879 0.000) 13.909 8.365 ( -4.080 11.964 0.000) 12.641 8.513 ( 2.937 21.111 0.000) 21.315 8.959 ( 11.321 11.075 0.000) 15.837 9.204 ( -10.048 -24.722 -0.000) 26.686 9.583 ( 0.673 5.569 0.000) 5.610 9.808 ( 0.610 1.672 0.000) 1.779 10.248 ( 3.813 -20.491 -0.000) 20.843 10.381 ( 3.305 9.492 0.000) 10.051 10.663 ( -7.991 -2.931 -0.000) 8.512 10.753 ( 2.552 -3.097 0.000) 4.012 11.430 ( -1.104 -1.191 -0.000) 1.624 11.597 ( 4.444 -9.318 -0.000) 10.324 11.660 ( -3.511 9.369 0.000) 10.006 11.672 ( -0.415 4.697 0.000) 4.716 11.755 ( 3.924 10.379 0.000) 11.096 12.001 ( -4.499 2.701 -0.000) 5.248 12.002 ( -8.838 -24.858 -0.000) 26.382 12.608 ( 0.336 0.279 0.000) 0.437 12.762 ( 6.840 -2.220 0.000) 7.192 12.947 ( -0.245 6.445 0.000) 6.449 13.071 ( 7.379 1.568 0.000) 7.544 13.491 ( -2.462 7.077 0.000) 7.493 13.687 ( 5.539 1.972 0.000) 5.880 13.775 ( -9.574 -2.411 -0.000) 9.873 13.927 ( -3.278 20.238 0.000) 20.502 14.082 ( 2.723 -2.271 0.000) 3.546 14.210 ( 5.551 -4.750 0.000) 7.306 14.250 ( 7.508 -0.957 0.000) 7.569 14.366 ( -1.706 -7.785 -0.000) 7.970 14.655 ( -1.706 4.057 0.000) 4.401 15.108 ( -7.075 -3.703 -0.000) 7.986 15.535 ( -16.677 3.849 -0.000) 17.116 15.569 ( 2.547 1.010 0.000) 2.740 16.362 ( -2.633 -17.296 -0.000) 17.495 16.818 ( -1.691 -14.510 -0.000) 14.608 17.313 ( -5.360 -1.100 -0.000) 5.471 17.533 ( 0.479 -0.185 0.000) 0.514 17.562 ( -10.164 3.293 -0.000) 10.684 17.882 ( -7.886 -0.415 -0.000) 7.897 18.146 ( 3.069 4.518 0.000) 5.462 18.370 ( -0.907 -4.751 -0.000) 4.836 18.427 ( 0.816 1.966 0.000) 2.129 18.545 ( -5.345 -2.036 -0.000) 5.720 18.702 ( 1.912 -4.677 -0.000) 5.053 18.892 ( 1.271 -1.163 0.000) 1.723 19.217 ( 3.612 -24.695 -0.000) 24.958 31.496 ( -0.143 2.403 0.000) 2.407 31.718 ( -0.942 -1.360 -0.000) 1.655 31.864 ( 0.001 -0.330 -0.000) 0.330 31.960 ( -4.314 3.199 -0.000) 5.370 51.049 ( 1.779 0.954 0.000) 2.019 51.330 ( 6.429 9.441 0.000) 11.422 51.612 ( 3.354 -10.679 -0.000) 11.193 53.092 ( -7.638 -9.098 -0.000) 11.879 ======================= Grid point 88 (44/75) ======================= q-point: ( 0.12 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -18.027 14.028 -0.000) 22.842 2.775 ( -27.145 9.198 -0.000) 28.661 3.660 ( 6.202 0.906 0.000) 6.268 3.755 ( 11.273 -7.482 0.000) 13.530 3.920 ( -2.120 9.131 0.000) 9.374 4.195 ( -4.800 6.666 -0.000) 8.214 4.696 ( 12.548 17.938 0.000) 21.891 5.476 ( 28.625 -0.215 0.000) 28.626 6.313 ( 31.198 -2.350 0.000) 31.287 6.398 ( 18.691 -22.723 0.000) 29.423 6.827 ( -5.395 -6.492 -0.000) 8.441 6.919 ( 52.439 -7.471 0.000) 52.969 7.475 ( 24.496 -3.848 0.000) 24.797 7.880 ( 4.443 34.126 0.000) 34.414 8.021 ( -6.474 1.355 -0.000) 6.614 8.031 ( 5.482 3.713 0.000) 6.622 8.120 ( -12.637 10.093 -0.000) 16.173 8.397 ( -3.681 16.492 0.000) 16.898 8.470 ( -6.402 -11.015 -0.000) 12.740 8.671 ( -7.464 -1.261 -0.000) 7.569 8.848 ( 8.283 0.794 0.000) 8.321 9.263 ( 13.757 -3.219 0.000) 14.129 9.759 ( 2.793 -23.287 -0.000) 23.454 9.953 ( 3.188 -3.186 0.000) 4.507 9.971 ( 6.784 29.556 0.000) 30.325 10.355 ( -8.774 -4.904 -0.000) 10.052 10.622 ( -6.361 -15.688 -0.000) 16.929 10.697 ( 4.244 9.822 0.000) 10.700 11.090 ( -15.040 -17.856 -0.000) 23.347 11.336 ( -5.440 -8.085 -0.000) 9.744 11.526 ( 4.619 -7.577 0.000) 8.874 11.643 ( -13.326 3.904 -0.000) 13.886 11.832 ( -2.894 6.781 0.000) 7.373 11.956 ( -6.045 3.393 -0.000) 6.932 12.147 ( 10.066 11.408 0.000) 15.214 12.588 ( -3.490 1.724 -0.000) 3.892 12.907 ( 7.335 -1.017 0.000) 7.405 13.016 ( -0.928 1.358 -0.000) 1.645 13.324 ( 13.250 5.214 0.000) 14.239 13.610 ( 3.950 3.062 0.000) 4.998 13.636 ( -2.060 -0.275 -0.000) 2.078 13.832 ( 5.290 2.004 0.000) 5.657 14.034 ( -0.074 -5.518 -0.000) 5.518 14.116 ( -1.741 4.885 0.000) 5.186 14.129 ( 0.157 -8.615 -0.000) 8.616 14.306 ( 1.821 -3.873 -0.000) 4.280 14.445 ( 1.929 10.382 0.000) 10.560 14.523 ( -2.300 -5.961 -0.000) 6.390 15.034 ( -15.460 14.443 -0.000) 21.157 15.198 ( -18.642 -0.492 -0.000) 18.648 15.658 ( 4.989 1.312 0.000) 5.158 16.034 ( -3.171 -10.723 -0.000) 11.182 16.632 ( -1.802 0.761 -0.000) 1.956 17.113 ( -12.881 -1.582 -0.000) 12.978 17.417 ( -11.731 5.173 -0.000) 12.821 17.463 ( -6.100 -0.927 -0.000) 6.170 17.827 ( 0.650 2.848 0.000) 2.922 18.193 ( -4.811 -7.083 -0.000) 8.562 18.323 ( 4.308 5.952 0.000) 7.347 18.465 ( -1.581 0.292 -0.000) 1.608 18.471 ( 0.383 0.871 0.000) 0.951 18.627 ( 1.766 -6.722 -0.000) 6.950 18.882 ( -1.838 0.007 -0.000) 1.838 18.906 ( -0.025 -10.304 -0.000) 10.304 31.543 ( -0.407 3.124 0.000) 3.150 31.666 ( -2.581 -0.603 -0.000) 2.651 31.859 ( 0.423 -0.478 0.000) 0.638 31.915 ( -2.816 -0.081 -0.000) 2.817 51.133 ( 5.852 0.393 0.000) 5.865 51.457 ( 2.441 -11.398 -0.000) 11.657 51.709 ( 11.565 11.915 0.000) 16.605 52.695 ( -11.877 -12.393 -0.000) 17.166 ======================= Grid point 89 (45/75) ======================= q-point: ( 0.12 -0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -18.203 13.431 -0.000) 22.622 2.503 ( -13.431 18.203 -0.000) 22.622 3.747 ( 1.219 -2.015 0.000) 2.355 3.747 ( 2.015 -1.219 0.000) 2.355 4.076 ( -8.517 1.125 -0.000) 8.591 4.076 ( -1.125 8.517 0.000) 8.591 5.369 ( -6.162 -21.202 -0.000) 22.079 5.369 ( 21.202 6.162 0.000) 22.079 6.383 ( 9.937 -11.594 0.000) 15.270 6.383 ( 11.594 -9.937 0.000) 15.270 7.333 ( 0.631 -31.026 -0.000) 31.033 7.333 ( 31.026 -0.631 0.000) 31.033 7.758 ( 13.243 -13.621 0.000) 18.997 7.758 ( 13.621 -13.243 0.000) 18.997 7.972 ( 3.342 -5.085 0.000) 6.085 7.972 ( 5.085 -3.342 0.000) 6.085 8.396 ( -9.665 4.255 -0.000) 10.560 8.396 ( -4.255 9.665 0.000) 10.560 8.500 ( -4.996 4.965 0.000) 7.043 8.500 ( -4.965 4.996 0.000) 7.043 9.215 ( 1.337 -28.242 -0.000) 28.274 9.215 ( 28.242 -1.337 0.000) 28.274 9.815 ( -17.439 -28.731 -0.000) 33.610 9.815 ( 28.731 17.439 0.000) 33.610 10.105 ( -6.639 -4.654 -0.000) 8.107 10.105 ( 4.654 6.639 0.000) 8.107 10.634 ( -23.261 -1.342 -0.000) 23.300 10.634 ( 1.342 23.261 0.000) 23.300 11.009 ( -11.971 -5.769 -0.000) 13.289 11.009 ( 5.769 11.971 0.000) 13.289 11.504 ( 2.055 -2.302 0.000) 3.086 11.504 ( 2.302 -2.055 0.000) 3.086 11.903 ( -5.239 4.663 0.000) 7.013 11.903 ( -4.663 5.239 0.000) 7.013 12.479 ( -7.105 -3.527 -0.000) 7.933 12.479 ( 3.527 7.105 0.000) 7.933 12.985 ( 0.094 -0.549 0.000) 0.557 12.985 ( 0.549 -0.094 0.000) 0.557 13.614 ( 5.617 -6.758 0.000) 8.788 13.614 ( 6.758 -5.617 0.000) 8.788 13.811 ( -4.396 -9.595 -0.000) 10.554 13.811 ( 9.595 4.396 0.000) 10.554 13.960 ( 0.003 -3.438 0.000) 3.438 13.960 ( 3.438 -0.003 0.000) 3.438 14.169 ( 1.384 -2.360 0.000) 2.736 14.169 ( 2.360 -1.384 0.000) 2.736 14.555 ( -3.680 3.037 0.000) 4.771 14.555 ( -3.037 3.680 0.000) 4.771 14.990 ( -13.956 13.955 0.000) 19.736 14.990 ( -13.955 13.956 0.000) 19.736 15.814 ( -2.971 -6.451 -0.000) 7.103 15.814 ( 6.451 2.971 0.000) 7.103 16.798 ( -14.851 -0.206 -0.000) 14.852 16.798 ( 0.206 14.851 0.000) 14.852 17.363 ( -6.748 5.619 -0.000) 8.781 17.363 ( -5.619 6.748 -0.000) 8.781 17.971 ( -3.738 -5.079 -0.000) 6.306 17.971 ( 5.079 3.738 0.000) 6.306 18.463 ( -0.395 0.369 0.000) 0.541 18.463 ( -0.369 0.395 0.000) 0.541 18.508 ( -1.906 -5.202 -0.000) 5.540 18.508 ( 5.202 1.906 0.000) 5.540 18.836 ( -0.665 -0.242 0.000) 0.707 18.836 ( 0.242 0.665 0.000) 0.707 31.601 ( -3.128 0.543 -0.000) 3.175 31.601 ( -0.543 3.128 0.000) 3.175 31.871 ( -0.382 -1.101 -0.000) 1.166 31.871 ( 1.101 0.382 0.000) 1.166 51.282 ( 1.152 -9.210 -0.000) 9.282 51.282 ( 9.210 -1.152 0.000) 9.282 52.198 ( -12.410 -13.023 -0.000) 17.989 52.198 ( 13.023 12.410 0.000) 17.989 ======================= Grid point 95 (46/75) ======================= q-point: (-0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 0.000 -26.568 -22.508) 34.820 2.166 ( 0.000 -35.334 -26.235) 44.009 2.936 ( 0.000 -15.147 -32.121) 35.513 3.575 ( -0.000 2.133 4.623) 5.092 3.712 ( -0.000 7.183 2.258) 7.529 3.752 ( 0.000 -12.148 -17.191) 21.050 3.813 ( 0.000 -2.814 0.962) 2.974 4.556 ( 0.000 -12.313 -8.948) 15.221 5.835 ( -0.000 -2.496 7.157) 7.580 5.966 ( -0.000 13.854 -3.771) 14.358 6.443 ( 0.000 -19.532 1.098) 19.562 6.881 ( -0.000 -0.472 2.046) 2.100 7.130 ( 0.000 0.678 -3.499) 3.564 7.155 ( 0.000 -2.877 -4.689) 5.502 7.354 ( -0.000 16.921 1.009) 16.951 7.388 ( 0.000 -21.940 0.027) 21.940 7.692 ( -0.000 1.932 11.115) 11.281 8.046 ( -0.000 8.397 20.145) 21.825 8.145 ( -0.000 -3.935 10.239) 10.969 8.603 ( 0.000 5.493 -9.425) 10.909 8.735 ( 0.000 3.967 -10.533) 11.255 8.992 ( 0.000 -17.483 8.613) 19.489 10.053 ( 0.000 0.941 -15.160) 15.189 10.184 ( -0.000 16.244 0.303) 16.247 10.372 ( 0.000 -3.021 -14.117) 14.437 10.400 ( -0.000 3.990 7.997) 8.937 10.745 ( 0.000 -8.856 0.899) 8.902 10.905 ( -0.000 7.260 -0.297) 7.266 11.268 ( 0.000 -2.771 -2.007) 3.422 11.307 ( 0.000 -4.148 -1.445) 4.392 11.327 ( 0.000 -6.615 -4.937) 8.254 11.806 ( -0.000 6.230 0.131) 6.231 11.954 ( 0.000 -8.338 -3.003) 8.863 12.230 ( -0.000 3.151 7.020) 7.695 12.250 ( -0.000 9.128 4.568) 10.207 12.681 ( -0.000 1.213 7.481) 7.579 12.787 ( -0.000 -8.701 7.148) 11.261 12.906 ( -0.000 7.193 3.534) 8.015 12.998 ( 0.000 -3.266 -6.236) 7.039 13.312 ( -0.000 2.909 5.744) 6.439 13.592 ( 0.000 -0.323 -1.724) 1.754 13.712 ( 0.000 7.663 -11.862) 14.122 13.818 ( -0.000 -1.096 6.043) 6.142 14.246 ( 0.000 -10.219 -1.544) 10.335 14.333 ( -0.000 7.595 -1.440) 7.730 14.346 ( -0.000 6.114 1.250) 6.240 14.838 ( 0.000 -1.111 -14.194) 14.238 14.853 ( 0.000 -0.425 -18.186) 18.191 15.080 ( -0.000 1.428 9.519) 9.625 15.083 ( -0.000 -3.783 17.609) 18.010 16.428 ( -0.000 43.471 -16.168) 46.380 16.927 ( -0.000 11.359 4.426) 12.191 17.375 ( -0.000 -0.076 0.198) 0.212 17.393 ( -0.000 3.507 1.250) 3.723 17.553 ( -0.000 6.018 -3.612) 7.019 17.631 ( 0.000 -0.050 -2.709) 2.709 18.060 ( 0.000 0.096 -1.145) 1.149 18.180 ( 0.000 -0.423 -4.409) 4.429 18.233 ( -0.000 -3.097 3.631) 4.772 18.497 ( -0.000 1.870 -0.054) 1.871 18.608 ( -0.000 -3.864 7.654) 8.574 18.648 ( -0.000 0.131 4.465) 4.467 18.663 ( -0.000 -7.534 4.666) 8.862 19.216 ( -0.000 -13.098 12.475) 18.088 31.483 ( 0.000 -0.661 -2.161) 2.260 31.814 ( -0.000 0.318 -0.159) 0.356 31.820 ( 0.000 0.249 -1.134) 1.161 31.852 ( 0.000 0.040 -0.996) 0.997 50.942 ( -0.000 -1.660 2.126) 2.698 50.962 ( 0.000 -3.821 2.235) 4.427 51.884 ( -0.000 4.255 -0.575) 4.293 52.221 ( 0.000 -24.604 10.787) 26.865 ======================= Grid point 99 (47/75) ======================= q-point: (-0.26 -0.14 0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 0.153 3.499 -2.356) 4.221 2.651 ( 6.686 -16.753 -7.293) 19.456 3.185 ( 3.812 5.042 8.347) 10.470 3.378 ( -6.239 -3.025 14.940) 16.471 3.702 ( 1.307 0.108 2.755) 3.051 3.949 ( 1.558 -11.379 -0.414) 11.492 5.998 ( 15.579 18.486 -27.516) 36.627 6.346 ( -7.988 24.682 -7.081) 26.892 6.467 ( -15.426 11.816 9.510) 21.633 6.790 ( -10.262 -5.264 -2.166) 11.735 7.054 ( 4.193 3.844 2.182) 6.092 7.344 ( 8.243 -10.117 6.847) 14.738 7.572 ( -2.572 29.702 2.471) 29.916 7.683 ( 4.391 23.741 6.249) 24.939 7.962 ( 8.536 0.967 -0.278) 8.595 8.085 ( -2.547 -3.908 3.359) 5.748 8.256 ( 13.321 12.601 -1.151) 18.373 8.339 ( -12.514 -7.551 -1.180) 14.663 8.480 ( -5.369 2.818 -4.638) 7.634 8.539 ( 7.045 -7.908 -1.039) 10.641 9.136 ( 0.739 21.169 0.889) 21.200 9.503 ( 1.521 25.071 2.835) 25.277 9.832 ( -5.902 -6.087 -3.779) 9.282 9.935 ( 4.239 0.576 4.876) 6.487 10.097 ( 3.660 2.931 -0.863) 4.768 10.176 ( -1.831 -5.344 0.071) 5.650 10.367 ( -7.782 -15.533 0.202) 17.374 10.661 ( -1.103 -25.863 0.788) 25.899 11.059 ( 1.662 6.260 -4.443) 7.854 11.284 ( -1.780 -7.050 -2.175) 7.590 11.520 ( -1.852 4.288 -1.893) 5.040 11.760 ( 0.845 -5.879 -3.993) 7.157 12.149 ( -2.809 7.016 -14.296) 16.170 12.293 ( 3.924 6.537 0.597) 7.648 12.334 ( 0.092 0.664 -2.952) 3.028 12.445 ( 5.055 -3.296 -9.949) 11.636 12.761 ( -5.760 3.801 2.020) 7.191 12.920 ( -1.248 3.311 18.533) 18.867 13.016 ( 3.007 -7.999 5.096) 9.949 13.122 ( 1.890 -5.776 15.517) 16.665 13.694 ( 1.209 5.907 0.063) 6.029 13.834 ( -1.216 2.241 1.116) 2.783 13.859 ( 4.846 2.806 0.951) 5.680 13.933 ( -1.950 -0.348 2.872) 3.489 14.233 ( -2.861 3.213 -4.140) 5.971 14.411 ( 7.088 -1.664 -1.229) 7.384 14.429 ( -6.406 -1.114 2.154) 6.850 14.714 ( -0.339 -18.132 1.018) 18.163 15.104 ( -4.093 5.508 -15.179) 16.658 15.320 ( 6.416 -4.033 -5.520) 9.376 15.599 ( 4.214 4.366 3.634) 7.073 15.832 ( -6.758 -5.322 5.274) 10.090 16.595 ( 1.186 -1.061 0.084) 1.593 16.851 ( -1.317 -14.456 -0.225) 14.517 17.242 ( 1.627 -5.040 0.031) 5.296 17.307 ( -0.676 -6.515 0.522) 6.571 17.882 ( 1.421 4.109 0.031) 4.348 18.082 ( -2.073 -5.370 0.214) 5.760 18.361 ( 1.190 1.106 0.566) 1.720 18.401 ( -0.521 0.729 1.110) 1.427 18.538 ( 1.324 2.251 -1.043) 2.812 18.670 ( -2.272 -0.859 -0.632) 2.510 18.844 ( 2.065 -1.813 -0.333) 2.768 18.855 ( -3.459 -2.492 0.610) 4.306 31.547 ( 0.748 0.537 -0.123) 0.929 31.622 ( -0.177 -3.267 -0.337) 3.289 31.854 ( 0.000 0.598 0.352) 0.694 31.867 ( -0.166 -0.328 0.424) 0.561 51.269 ( 0.851 7.681 -0.132) 7.729 51.476 ( -3.082 -1.398 -0.166) 3.388 51.941 ( 4.491 12.008 0.049) 12.821 52.400 ( -4.113 -12.331 1.061) 13.042 ======================= Grid point 103 (48/75) ======================= q-point: ( 0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -0.000 -16.595 10.979) 19.898 3.212 ( 0.000 11.941 -15.539) 19.597 3.220 ( 0.000 -2.703 1.211) 2.962 3.475 ( 0.000 13.508 -13.328) 18.977 4.079 ( -0.000 10.200 -1.051) 10.254 4.136 ( -0.000 41.986 -1.437) 42.010 4.568 ( -0.000 6.671 1.451) 6.827 4.789 ( -0.000 -5.222 10.345) 11.588 4.999 ( 0.000 -16.851 -19.266) 25.595 5.961 ( -0.000 -0.417 3.348) 3.374 6.419 ( -0.000 -0.379 18.063) 18.067 6.595 ( -0.000 -7.367 18.735) 20.131 7.537 ( 0.000 -3.226 -4.261) 5.344 7.638 ( 0.000 -8.281 1.631) 8.440 7.808 ( 0.000 5.632 -6.564) 8.649 8.029 ( -0.000 15.312 -2.287) 15.482 8.398 ( 0.000 -2.013 -6.470) 6.776 8.441 ( -0.000 1.237 -0.271) 1.266 8.485 ( -0.000 16.669 3.071) 16.949 8.629 ( 0.000 0.635 -0.765) 0.994 8.833 ( 0.000 -23.756 1.945) 23.836 9.248 ( 0.000 -11.748 -15.575) 19.509 9.579 ( -0.000 38.150 -0.933) 38.162 9.919 ( -0.000 -5.996 10.958) 12.491 9.968 ( -0.000 -6.529 8.082) 10.389 10.569 ( -0.000 5.629 3.689) 6.730 10.696 ( -0.000 -3.449 5.919) 6.850 10.698 ( 0.000 -0.806 -2.451) 2.580 11.147 ( 0.000 -15.745 -11.770) 19.658 11.455 ( -0.000 -5.103 5.608) 7.582 11.591 ( 0.000 -16.540 8.704) 18.690 11.851 ( -0.000 7.569 0.013) 7.569 11.910 ( -0.000 6.200 1.170) 6.309 12.024 ( -0.000 11.562 -1.033) 11.608 12.239 ( -0.000 5.377 12.358) 13.477 12.396 ( 0.000 -2.080 -15.870) 16.005 12.738 ( -0.000 2.111 -0.508) 2.171 12.925 ( 0.000 -0.496 -3.516) 3.551 13.165 ( -0.000 4.003 6.588) 7.709 13.584 ( 0.000 -1.374 -0.517) 1.468 13.593 ( 0.000 2.996 -12.879) 13.223 13.879 ( 0.000 -6.495 3.302) 7.287 13.889 ( 0.000 -1.051 -5.092) 5.199 14.001 ( 0.000 -3.324 -0.325) 3.340 14.073 ( 0.000 6.682 -12.160) 13.875 14.379 ( -0.000 9.860 -2.079) 10.077 14.450 ( -0.000 -1.408 20.873) 20.920 14.677 ( -0.000 -5.659 3.510) 6.659 15.428 ( -0.000 20.737 5.540) 21.464 15.461 ( 0.000 -0.797 -7.982) 8.021 15.652 ( 0.000 -12.253 2.151) 12.441 16.105 ( 0.000 -5.546 -2.239) 5.981 16.689 ( -0.000 -0.898 1.076) 1.402 17.369 ( -0.000 -0.162 0.418) 0.448 17.513 ( 0.000 1.226 -1.865) 2.232 17.705 ( 0.000 2.973 -2.698) 4.015 18.014 ( -0.000 -0.198 2.679) 2.687 18.193 ( -0.000 3.619 -0.047) 3.620 18.297 ( 0.000 -4.009 0.621) 4.056 18.442 ( -0.000 1.502 -0.406) 1.556 18.507 ( 0.000 -4.365 -0.219) 4.370 18.628 ( 0.000 -2.756 -0.744) 2.854 18.799 ( 0.000 -3.896 -1.299) 4.107 18.849 ( 0.000 -4.831 1.228) 4.985 31.559 ( -0.000 2.933 0.153) 2.937 31.699 ( 0.000 -1.058 -0.024) 1.059 31.852 ( 0.000 -0.516 -0.201) 0.554 32.020 ( 0.000 -0.382 -1.187) 1.247 51.025 ( 0.000 -1.170 0.030) 1.171 51.369 ( 0.000 -10.318 0.506) 10.330 51.443 ( -0.000 9.326 -0.517) 9.340 52.920 ( 0.000 -10.414 -2.907) 10.812 ======================= Grid point 104 (49/75) ======================= q-point: ( 0.35 -0.15 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 16.599 -15.840 -0.662) 22.954 2.987 ( -15.399 8.511 -3.939) 18.030 3.353 ( -4.817 5.745 -7.673) 10.727 3.613 ( -0.231 -1.692 -9.899) 10.045 4.202 ( -13.219 9.266 -4.188) 16.678 4.457 ( -3.607 7.354 8.787) 12.013 4.601 ( 4.692 -6.278 -17.094) 18.805 5.280 ( 38.598 6.188 -11.441) 40.731 5.525 ( 43.690 17.154 2.383) 46.997 6.013 ( 9.485 -1.712 11.834) 15.262 6.223 ( -5.600 0.839 15.879) 16.858 6.823 ( 11.639 -7.634 14.967) 20.440 7.186 ( -6.316 -7.277 4.643) 10.696 7.683 ( 7.062 -12.502 -1.856) 14.478 7.757 ( 5.900 -5.479 -14.633) 16.702 7.966 ( 3.592 -36.289 -14.705) 39.320 8.104 ( -9.732 -31.665 4.544) 33.437 8.382 ( 5.291 -7.098 2.583) 9.222 8.483 ( 7.994 -15.881 3.941) 18.211 8.590 ( 9.294 14.647 -6.147) 18.403 8.860 ( -5.137 19.319 -4.650) 20.524 9.141 ( 0.179 -6.861 1.656) 7.061 9.604 ( -11.841 1.852 9.100) 15.048 10.051 ( -0.117 8.046 2.893) 8.551 10.154 ( 1.318 -1.637 -11.261) 11.456 10.515 ( -11.357 3.618 0.779) 11.945 10.661 ( -0.567 8.111 10.800) 13.518 10.832 ( 4.592 8.404 2.674) 9.944 10.899 ( 0.455 -6.670 -2.990) 7.324 11.323 ( -1.997 -5.960 5.785) 8.543 11.412 ( 4.739 -3.369 7.471) 9.467 11.958 ( -2.950 5.734 -1.870) 6.714 12.080 ( -7.406 5.951 0.538) 9.516 12.118 ( 0.121 6.085 -0.466) 6.104 12.288 ( -1.683 3.271 5.754) 6.829 12.422 ( 5.783 -2.878 -14.973) 16.307 12.752 ( -2.438 1.315 0.806) 2.885 13.003 ( 8.904 -1.922 -6.625) 11.264 13.184 ( -0.481 -0.916 6.630) 6.710 13.440 ( 0.553 -13.532 -8.797) 16.149 13.585 ( 2.545 -1.577 0.771) 3.092 13.757 ( -4.122 2.152 -5.353) 7.090 13.893 ( 1.733 -0.624 -4.381) 4.753 14.035 ( 1.225 1.172 3.473) 3.865 14.122 ( 0.626 -3.737 -2.198) 4.381 14.389 ( -0.550 -1.607 16.313) 16.401 14.542 ( -0.949 2.479 0.679) 2.740 14.722 ( -2.678 11.167 -2.950) 11.857 15.356 ( -5.933 -2.918 -2.414) 7.039 15.464 ( 2.464 -0.390 -6.101) 6.591 15.788 ( -8.113 17.780 5.010) 20.175 16.024 ( -6.377 3.453 0.478) 7.268 16.804 ( -0.830 13.542 0.819) 13.592 17.313 ( -6.161 0.674 0.367) 6.209 17.552 ( -1.759 3.409 -2.025) 4.337 17.675 ( -7.850 3.104 -3.741) 9.233 17.921 ( -6.461 0.067 1.538) 6.642 18.156 ( -1.945 -4.608 3.264) 5.973 18.325 ( 3.332 1.487 -1.070) 3.803 18.448 ( -1.831 -0.112 -1.904) 2.644 18.479 ( 1.838 -0.828 0.521) 2.082 18.551 ( -0.649 -1.575 2.065) 2.677 18.772 ( 2.052 -1.374 -0.736) 2.577 18.897 ( 3.057 2.477 4.046) 5.643 31.599 ( -0.428 1.431 -1.725) 2.282 31.697 ( -0.200 1.145 1.395) 1.816 31.841 ( -0.065 -0.276 -0.346) 0.448 31.952 ( -3.321 -2.176 -1.038) 4.103 51.016 ( 3.351 -2.668 0.294) 4.293 51.197 ( 2.977 -10.305 1.294) 10.804 51.714 ( 8.329 10.066 -0.786) 13.088 52.610 ( -6.191 -14.749 1.118) 16.035 ======================= Grid point 106 (50/75) ======================= q-point: (-0.65 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 11.081 -11.081 -7.480) 17.364 2.939 ( -11.020 11.020 -3.517) 15.977 3.376 ( -3.003 3.003 -4.187) 5.964 3.543 ( 5.357 -5.357 -7.186) 10.442 4.150 ( -9.443 9.443 -7.958) 15.546 4.449 ( -10.982 10.982 -1.091) 15.569 4.611 ( 20.709 -20.709 -12.994) 32.040 5.845 ( -3.903 3.903 23.834) 24.465 6.226 ( 28.154 -28.154 -0.510) 39.819 6.253 ( -1.289 1.289 5.218) 5.528 6.461 ( -2.573 2.573 2.198) 4.252 6.699 ( 16.540 -16.540 -1.715) 23.453 7.046 ( 13.396 -13.396 2.223) 19.075 7.198 ( 16.621 -16.621 -4.449) 23.923 7.468 ( 17.661 -17.661 -5.470) 25.569 7.756 ( 7.465 -7.465 0.096) 10.557 7.951 ( 8.984 -8.984 -3.845) 13.274 8.157 ( 12.287 -12.287 0.787) 17.394 8.561 ( 14.751 -14.751 0.664) 20.871 8.803 ( -0.508 0.508 -4.698) 4.753 9.023 ( -8.463 8.463 -4.112) 12.655 9.036 ( 6.461 -6.461 8.905) 12.759 9.615 ( -7.257 7.257 -8.130) 13.093 9.918 ( -6.197 6.197 7.389) 11.463 10.224 ( -5.026 5.026 -1.547) 7.275 10.302 ( -7.197 7.197 4.699) 11.210 10.805 ( -2.516 2.516 -1.058) 3.713 10.821 ( 2.974 -2.974 -0.101) 4.206 11.102 ( -0.334 0.334 4.375) 4.400 11.188 ( 0.392 -0.392 6.968) 6.990 11.686 ( -13.493 13.493 3.343) 19.372 11.752 ( -4.073 4.073 7.509) 9.463 11.982 ( -4.307 4.307 -2.436) 6.560 12.228 ( -1.253 1.253 5.020) 5.324 12.368 ( 2.059 -2.059 -7.404) 7.957 12.427 ( 4.984 -4.984 -16.294) 17.754 12.718 ( -0.174 0.174 5.524) 5.530 13.109 ( 6.548 -6.548 -14.026) 16.807 13.146 ( 2.697 -2.697 7.849) 8.727 13.310 ( 8.221 -8.221 -4.328) 12.405 13.654 ( -1.940 1.940 -3.762) 4.656 13.680 ( 3.134 -3.134 -0.233) 4.438 13.915 ( 2.500 -2.500 -2.693) 4.445 14.042 ( 0.134 -0.134 4.041) 4.045 14.066 ( -2.725 2.725 4.157) 5.669 14.372 ( 4.001 -4.001 17.186) 18.093 14.568 ( -6.413 6.413 -8.369) 12.340 14.777 ( -2.471 2.471 1.370) 3.753 15.313 ( -8.201 8.201 -8.272) 14.246 15.525 ( -0.487 0.487 -1.377) 1.540 15.786 ( -8.442 8.442 -6.341) 13.519 16.041 ( -12.773 12.773 9.396) 20.361 17.072 ( -9.034 9.034 -1.356) 12.847 17.148 ( -6.988 6.988 2.181) 10.121 17.568 ( -5.407 5.407 -3.230) 8.301 17.606 ( -5.303 5.303 -2.343) 7.857 17.851 ( 0.264 -0.264 -2.200) 2.231 18.081 ( -0.111 0.111 8.207) 8.209 18.381 ( 1.533 -1.533 -2.486) 3.299 18.407 ( -0.298 0.298 -3.041) 3.070 18.490 ( 0.779 -0.779 0.999) 1.487 18.548 ( -0.279 0.279 3.639) 3.660 18.782 ( 1.517 -1.517 -2.311) 3.153 18.966 ( -1.844 1.844 6.909) 7.385 31.606 ( -0.297 0.297 -2.717) 2.749 31.713 ( -1.335 1.335 2.598) 3.211 31.859 ( -0.641 0.641 -1.253) 1.546 31.864 ( -0.404 0.404 -0.834) 1.011 51.043 ( 4.868 -4.868 -0.627) 6.913 51.107 ( 6.137 -6.137 2.630) 9.068 52.048 ( 1.583 -1.583 -4.663) 5.172 52.247 ( 3.430 -3.430 6.195) 7.868 ======================= Grid point 121 (51/75) ======================= q-point: (-0.43 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.000 -23.988 14.437) 27.997 2.952 ( 0.000 -18.053 -5.178) 18.781 3.368 ( 0.000 3.547 -16.926) 17.294 3.471 ( -0.000 10.388 3.266) 10.890 3.869 ( 0.000 -8.010 -28.690) 29.788 4.063 ( 0.000 -14.713 -16.221) 21.900 4.464 ( 0.000 -2.027 -15.475) 15.608 4.810 ( -0.000 8.578 -2.033) 8.816 5.585 ( -0.000 27.682 0.853) 27.695 6.359 ( -0.000 7.840 5.201) 9.409 6.377 ( 0.000 -46.375 -12.024) 47.909 6.764 ( -0.000 -1.858 12.762) 12.896 7.165 ( -0.000 -0.324 21.703) 21.705 7.316 ( 0.000 -4.099 -2.807) 4.968 7.339 ( 0.000 -2.332 -0.564) 2.399 7.536 ( -0.000 -7.545 7.441) 10.598 7.728 ( 0.000 -25.039 -2.332) 25.147 7.853 ( 0.000 -24.878 1.951) 24.955 8.118 ( 0.000 -12.731 5.648) 13.927 8.712 ( 0.000 7.368 -8.742) 11.432 8.933 ( 0.000 5.215 -14.987) 15.869 9.083 ( -0.000 -16.740 14.943) 22.439 9.933 ( -0.000 10.315 -5.805) 11.837 10.091 ( -0.000 10.993 7.392) 13.247 10.232 ( 0.000 6.631 -6.620) 9.370 10.653 ( 0.000 -3.830 -6.560) 7.597 10.736 ( -0.000 6.438 0.654) 6.471 10.831 ( -0.000 -3.664 2.971) 4.717 11.187 ( -0.000 4.503 9.325) 10.355 11.347 ( -0.000 -5.107 4.994) 7.143 11.552 ( -0.000 12.165 2.715) 12.464 11.766 ( 0.000 -6.451 -17.766) 18.901 12.083 ( -0.000 3.285 -0.980) 3.428 12.092 ( -0.000 4.000 0.756) 4.070 12.293 ( 0.000 -11.063 -6.599) 12.882 12.454 ( -0.000 8.235 4.604) 9.435 12.825 ( 0.000 -1.124 -0.765) 1.359 12.958 ( 0.000 -14.166 -2.635) 14.409 13.016 ( -0.000 5.949 12.586) 13.921 13.167 ( 0.000 -4.245 -2.150) 4.758 13.580 ( -0.000 0.851 1.772) 1.966 13.790 ( 0.000 -2.793 0.785) 2.901 13.799 ( 0.000 0.353 -3.700) 3.716 14.138 ( -0.000 5.039 1.812) 5.355 14.156 ( -0.000 7.996 3.102) 8.577 14.480 ( 0.000 0.222 -7.990) 7.993 14.771 ( -0.000 -4.286 21.490) 21.913 14.839 ( -0.000 2.083 1.992) 2.882 15.191 ( 0.000 -1.445 -13.659) 13.735 15.240 ( 0.000 0.829 -13.278) 13.304 16.102 ( -0.000 16.213 -6.297) 17.393 16.514 ( -0.000 18.637 7.934) 20.256 17.145 ( -0.000 16.552 1.327) 16.605 17.371 ( -0.000 -0.200 0.447) 0.489 17.565 ( 0.000 2.754 -3.857) 4.739 17.698 ( 0.000 0.778 -4.475) 4.542 18.066 ( -0.000 0.221 0.784) 0.814 18.163 ( -0.000 -4.126 5.683) 7.023 18.302 ( 0.000 1.703 -3.100) 3.537 18.431 ( -0.000 1.512 0.247) 1.532 18.525 ( -0.000 0.846 2.934) 3.053 18.571 ( -0.000 -0.961 3.386) 3.519 18.694 ( 0.000 -2.666 0.600) 2.732 19.072 ( -0.000 3.243 8.980) 9.548 31.549 ( 0.000 -0.955 -2.705) 2.869 31.769 ( -0.000 1.790 1.863) 2.584 31.835 ( 0.000 0.633 -1.101) 1.270 31.909 ( 0.000 -2.402 -1.637) 2.907 50.949 ( 0.000 -2.898 1.600) 3.310 51.027 ( 0.000 -7.437 1.973) 7.694 51.782 ( -0.000 7.589 -0.713) 7.623 52.434 ( 0.000 -17.565 6.571) 18.754 ======================= Grid point 122 (52/75) ======================= q-point: (-0.43 -0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 13.464 -13.464 1.248) 19.081 2.726 ( 30.147 -30.147 11.121) 44.061 3.381 ( -7.936 7.936 -29.509) 31.571 3.615 ( -5.901 5.901 -0.593) 8.366 3.681 ( -1.034 1.034 -8.845) 8.965 3.982 ( 7.886 -7.886 -16.135) 19.614 4.586 ( 7.405 -7.405 -29.716) 31.507 4.912 ( 14.663 -14.663 -14.422) 25.259 5.680 ( 6.527 -6.527 -7.086) 11.637 6.215 ( 6.832 -6.832 6.304) 11.537 6.355 ( 7.080 -7.080 8.014) 12.824 6.847 ( -1.387 1.387 -1.154) 2.276 6.996 ( -5.351 5.351 13.855) 15.787 7.127 ( -7.432 7.432 9.646) 14.266 7.202 ( -3.438 3.438 4.630) 6.714 7.521 ( 4.567 -4.567 3.792) 7.490 7.572 ( 13.508 -13.508 -3.224) 19.373 7.705 ( 7.579 -7.579 6.952) 12.776 8.053 ( 10.762 -10.762 10.848) 18.690 8.657 ( 9.167 -9.167 9.220) 15.909 8.938 ( 0.038 -0.038 -4.845) 4.846 8.989 ( -0.501 0.501 -9.899) 9.925 10.012 ( -13.012 13.012 -0.272) 18.404 10.247 ( -3.598 3.598 4.570) 6.839 10.308 ( -4.498 4.498 -12.365) 13.906 10.634 ( 3.329 -3.329 -5.488) 7.230 10.712 ( -3.236 3.236 4.129) 6.163 10.825 ( -3.021 3.021 0.160) 4.275 11.229 ( -0.023 0.023 6.197) 6.197 11.270 ( 1.547 -1.547 5.309) 5.742 11.658 ( 7.021 -7.021 -20.410) 22.697 11.940 ( -1.070 1.070 -2.155) 2.633 12.043 ( 2.465 -2.465 -8.163) 8.876 12.126 ( -3.343 3.343 2.754) 5.471 12.169 ( -0.084 0.084 -2.795) 2.798 12.413 ( -7.489 7.489 7.715) 13.103 12.832 ( 0.425 -0.425 1.192) 1.335 12.841 ( 9.946 -9.946 0.346) 14.069 13.075 ( -2.994 2.994 14.872) 15.463 13.122 ( 2.654 -2.654 -2.707) 4.628 13.622 ( 0.712 -0.712 0.678) 1.214 13.719 ( 0.366 -0.366 2.841) 2.888 13.787 ( 3.874 -3.874 2.996) 6.244 14.191 ( -5.692 5.692 2.076) 8.313 14.285 ( -4.497 4.497 2.641) 6.887 14.454 ( -3.180 3.180 -11.799) 12.627 14.725 ( 3.430 -3.430 19.808) 20.393 14.830 ( -0.206 0.206 2.202) 2.221 15.169 ( 0.370 -0.370 -14.224) 14.233 15.279 ( 4.461 -4.461 -10.818) 12.523 16.323 ( -24.706 24.706 -7.949) 35.832 16.704 ( -10.300 10.300 7.690) 16.472 17.338 ( -3.223 3.223 1.326) 4.747 17.361 ( -2.594 2.594 0.453) 3.697 17.630 ( -2.951 2.951 -5.440) 6.856 17.644 ( -3.063 3.063 -4.404) 6.177 17.968 ( -4.219 4.219 0.787) 6.019 18.151 ( 3.102 -3.102 5.594) 7.109 18.345 ( -0.034 0.034 -6.028) 6.028 18.454 ( -2.707 2.707 5.231) 6.482 18.494 ( -0.407 0.407 1.538) 1.642 18.604 ( 2.499 -2.499 3.849) 5.226 18.655 ( 3.064 -3.064 0.033) 4.333 19.102 ( 5.633 -5.633 10.366) 13.073 31.539 ( 0.492 -0.492 -2.892) 2.975 31.782 ( 0.216 -0.216 2.522) 2.540 31.858 ( -0.780 0.780 -2.258) 2.513 31.869 ( -1.357 1.357 -2.159) 2.889 50.920 ( 2.124 -2.124 1.640) 3.422 50.955 ( 3.969 -3.969 2.480) 6.136 51.946 ( 0.422 -0.422 -1.730) 1.830 52.148 ( 8.567 -8.567 6.355) 13.681 ======================= Grid point 126 (53/75) ======================= q-point: ( 0.57 -0.18 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 4.454 -4.454 3.450) 7.182 2.592 ( 3.279 -3.279 12.492) 13.325 3.106 ( -4.397 4.397 -5.804) 8.506 3.442 ( 0.609 -0.609 -15.657) 15.681 3.756 ( 5.599 -5.599 -2.336) 8.256 3.964 ( 3.441 -3.441 5.020) 6.991 5.696 ( -15.940 15.940 22.538) 31.877 6.284 ( -15.696 15.696 6.255) 23.061 6.692 ( -11.188 11.188 -19.652) 25.230 6.779 ( 3.066 -3.066 -4.955) 6.585 6.997 ( -2.354 2.354 -0.987) 3.472 7.268 ( 1.791 -1.791 1.993) 3.224 7.440 ( -27.773 27.773 9.242) 40.349 7.529 ( -5.364 5.364 -5.506) 9.373 7.842 ( -0.974 0.974 7.990) 8.108 7.970 ( -15.805 15.805 0.673) 22.362 8.026 ( -15.620 15.620 -4.694) 22.583 8.223 ( 5.457 -5.457 -0.930) 7.773 8.472 ( -4.652 4.652 3.977) 7.687 8.681 ( 10.586 -10.586 -0.740) 14.989 9.008 ( -11.848 11.848 9.598) 19.310 9.391 ( -12.169 12.169 -5.153) 17.965 9.689 ( -9.141 9.141 -0.228) 12.930 10.003 ( 5.923 -5.923 -6.445) 10.568 10.029 ( 0.575 -0.575 3.887) 3.972 10.267 ( 5.115 -5.115 -1.492) 7.386 10.596 ( 9.105 -9.105 -4.031) 13.493 10.888 ( 9.296 -9.296 -0.494) 13.156 11.041 ( 9.492 -9.492 2.241) 13.610 11.337 ( 3.847 -3.847 -0.655) 5.480 11.498 ( -2.496 2.496 -1.033) 3.678 11.803 ( 4.203 -4.203 5.725) 8.253 12.156 ( -3.566 3.566 10.783) 11.904 12.160 ( -8.853 8.853 4.082) 13.168 12.344 ( -0.379 0.379 21.095) 21.102 12.346 ( -2.957 2.957 -10.983) 11.753 12.854 ( -0.031 0.031 -8.409) 8.409 12.940 ( 2.821 -2.821 4.588) 6.081 12.998 ( 1.991 -1.991 -22.567) 22.742 13.149 ( 4.243 -4.243 -5.096) 7.872 13.614 ( -4.527 4.527 0.499) 6.421 13.763 ( -4.575 4.575 4.724) 8.011 13.821 ( -2.281 2.281 -2.028) 3.811 13.989 ( 1.325 -1.325 -3.010) 3.546 14.267 ( -3.147 3.147 -4.185) 6.109 14.292 ( 2.000 -2.000 2.828) 4.000 14.657 ( 8.564 -8.564 0.242) 12.113 14.731 ( 6.694 -6.694 -0.968) 9.516 15.169 ( -0.980 0.980 6.590) 6.734 15.206 ( -1.448 1.448 16.305) 16.433 15.505 ( -4.416 4.416 -4.713) 7.824 16.001 ( 9.233 -9.233 -7.800) 15.210 16.664 ( 6.519 -6.519 1.269) 9.306 16.949 ( 8.708 -8.708 -1.593) 12.418 17.256 ( 3.760 -3.760 2.095) 5.715 17.375 ( 5.435 -5.435 -0.934) 7.743 17.830 ( -2.880 2.880 1.211) 4.250 18.162 ( 5.349 -5.349 -2.493) 7.964 18.322 ( -2.124 2.124 1.141) 3.214 18.408 ( -0.552 0.552 -1.300) 1.516 18.499 ( -1.565 1.565 1.853) 2.886 18.715 ( 1.459 -1.459 -2.747) 3.436 18.817 ( -0.640 0.640 0.065) 0.908 18.965 ( 7.235 -7.235 -2.582) 10.553 31.531 ( -0.622 0.622 1.057) 1.375 31.652 ( 2.619 -2.619 0.426) 3.728 31.849 ( -0.422 0.422 -0.484) 0.768 31.864 ( -0.306 0.306 -0.618) 0.755 51.206 ( -5.051 5.051 0.704) 7.178 51.479 ( -3.023 3.023 -4.134) 5.946 51.867 ( -3.462 3.462 5.652) 7.478 52.507 ( 6.955 -6.955 -6.656) 11.877 ======================= Grid point 129 (54/75) ======================= q-point: ( 0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -0.000 40.999 0.000) 40.999 2.856 ( -0.000 28.512 0.000) 28.512 3.339 ( 0.000 -9.970 -0.000) 9.970 3.627 ( -0.000 3.794 0.000) 3.794 3.808 ( 0.000 -7.315 -0.000) 7.315 3.966 ( -0.000 7.076 0.000) 7.076 4.270 ( -0.000 15.801 0.000) 15.801 4.567 ( -0.000 3.732 0.000) 3.732 5.475 ( 0.000 -11.793 -0.000) 11.793 5.514 ( -0.000 37.159 0.000) 37.159 6.555 ( 0.000 -10.323 -0.000) 10.323 6.565 ( 0.000 -20.879 -0.000) 20.879 7.403 ( -0.000 19.892 0.000) 19.892 7.672 ( 0.000 -2.119 -0.000) 2.119 7.735 ( 0.000 -6.244 -0.000) 6.244 8.013 ( -0.000 22.357 0.000) 22.357 8.128 ( -0.000 15.479 0.000) 15.479 8.145 ( -0.000 16.559 0.000) 16.559 8.406 ( -0.000 9.782 0.000) 9.782 8.455 ( -0.000 11.437 0.000) 11.437 8.866 ( -0.000 24.685 0.000) 24.685 9.305 ( 0.000 -26.296 -0.000) 26.296 9.576 ( -0.000 1.542 0.000) 1.542 9.804 ( -0.000 1.816 0.000) 1.816 10.206 ( 0.000 -19.959 -0.000) 19.959 10.348 ( -0.000 10.697 0.000) 10.697 10.721 ( 0.000 -3.206 -0.000) 3.206 10.751 ( 0.000 -2.310 -0.000) 2.310 11.441 ( -0.000 0.273 0.000) 0.273 11.544 ( 0.000 -10.089 -0.000) 10.089 11.629 ( -0.000 9.811 0.000) 9.811 11.718 ( -0.000 10.495 0.000) 10.495 11.738 ( -0.000 7.043 0.000) 7.043 12.047 ( -0.000 2.519 0.000) 2.519 12.085 ( 0.000 -25.907 -0.000) 25.907 12.582 ( -0.000 0.772 0.000) 0.772 12.722 ( 0.000 -1.788 -0.000) 1.788 12.952 ( -0.000 6.758 0.000) 6.758 12.983 ( -0.000 0.312 0.000) 0.312 13.544 ( -0.000 8.630 0.000) 8.630 13.609 ( -0.000 0.059 0.000) 0.059 13.920 ( 0.000 -1.602 -0.000) 1.602 13.971 ( -0.000 23.312 0.000) 23.312 14.031 ( 0.000 -2.277 -0.000) 2.277 14.131 ( 0.000 -5.584 -0.000) 5.584 14.163 ( 0.000 -1.315 -0.000) 1.315 14.385 ( 0.000 -9.384 -0.000) 9.384 14.672 ( -0.000 4.487 0.000) 4.487 15.176 ( 0.000 -2.894 -0.000) 2.894 15.544 ( -0.000 0.848 0.000) 0.848 15.711 ( -0.000 2.694 0.000) 2.694 16.387 ( 0.000 -18.445 -0.000) 18.445 16.834 ( 0.000 -14.444 -0.000) 14.444 17.367 ( 0.000 -0.160 -0.000) 0.160 17.522 ( -0.000 0.389 0.000) 0.389 17.667 ( -0.000 3.182 0.000) 3.182 17.997 ( 0.000 -0.835 -0.000) 0.835 18.099 ( -0.000 3.973 0.000) 3.973 18.377 ( 0.000 -3.869 -0.000) 3.869 18.419 ( -0.000 1.983 0.000) 1.983 18.604 ( 0.000 -4.542 -0.000) 4.542 18.692 ( 0.000 -2.444 -0.000) 2.444 18.864 ( 0.000 -2.323 -0.000) 2.323 19.153 ( 0.000 -24.742 -0.000) 24.742 31.498 ( -0.000 2.600 0.000) 2.600 31.726 ( 0.000 -1.462 -0.000) 1.462 31.864 ( 0.000 -0.337 -0.000) 0.337 32.012 ( -0.000 2.996 0.000) 2.996 51.034 ( -0.000 0.384 0.000) 0.384 51.265 ( -0.000 9.011 0.000) 9.011 51.572 ( 0.000 -10.432 -0.000) 10.432 53.169 ( 0.000 -9.334 -0.000) 9.334 ======================= Grid point 130 (55/75) ======================= q-point: ( 0.19 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -23.687 11.860 -0.000) 26.490 3.169 ( 9.864 -14.771 0.000) 17.762 3.459 ( -7.145 7.452 -0.000) 10.324 3.528 ( 8.042 9.102 0.000) 12.146 4.007 ( -6.121 16.110 0.000) 17.233 4.161 ( 5.256 10.406 0.000) 11.658 4.631 ( -2.643 8.962 0.000) 9.344 4.905 ( 30.672 20.620 0.000) 36.959 5.747 ( 44.745 -14.571 0.000) 47.058 5.882 ( 6.180 -4.298 0.000) 7.528 6.308 ( 11.033 -12.244 0.000) 16.482 6.738 ( 25.067 -4.270 0.000) 25.428 7.284 ( -12.266 -8.650 -0.000) 15.009 7.805 ( 5.532 11.632 0.000) 12.880 7.904 ( 5.308 17.166 0.000) 17.968 8.068 ( -1.344 -6.326 -0.000) 6.467 8.359 ( -9.154 18.109 0.000) 20.291 8.431 ( -0.397 8.300 0.000) 8.309 8.582 ( -5.013 -6.089 -0.000) 7.887 8.633 ( 13.977 -2.060 0.000) 14.128 8.782 ( -3.736 -13.526 -0.000) 14.033 9.273 ( -12.129 7.556 -0.000) 14.290 9.709 ( 2.111 -25.710 -0.000) 25.796 9.804 ( 10.889 28.307 0.000) 30.329 9.905 ( 1.633 -0.689 0.000) 1.773 10.508 ( -5.044 2.321 -0.000) 5.553 10.649 ( 1.491 -9.012 -0.000) 9.134 10.667 ( -2.199 4.654 0.000) 5.148 11.308 ( -7.829 -19.706 -0.000) 21.204 11.387 ( -1.528 -12.511 -0.000) 12.604 11.427 ( 5.338 -8.079 0.000) 9.683 11.844 ( -2.724 9.200 0.000) 9.595 11.938 ( -9.287 7.794 -0.000) 12.124 11.976 ( 6.739 11.560 0.000) 13.381 12.056 ( -4.164 2.918 -0.000) 5.085 12.631 ( 0.337 1.904 0.000) 1.933 12.756 ( 4.880 1.446 0.000) 5.089 13.037 ( -1.201 2.400 0.000) 2.683 13.098 ( 10.074 1.066 0.000) 10.130 13.585 ( -0.318 1.477 0.000) 1.511 13.725 ( -6.802 -5.418 -0.000) 8.696 13.748 ( 3.188 5.605 0.000) 6.448 14.047 ( -0.184 -0.835 -0.000) 0.855 14.074 ( 4.392 -9.124 -0.000) 10.126 14.133 ( -0.051 -0.395 -0.000) 0.398 14.272 ( 1.460 -1.226 0.000) 1.907 14.427 ( 0.138 20.126 0.000) 20.126 14.561 ( -1.533 -9.246 -0.000) 9.372 15.276 ( -9.213 17.756 -0.000) 20.004 15.508 ( -12.376 -7.529 -0.000) 14.486 15.576 ( 3.375 0.119 0.000) 3.377 16.094 ( -2.963 -8.366 -0.000) 8.875 16.663 ( -1.320 -0.751 -0.000) 1.519 17.301 ( -6.619 -0.041 -0.000) 6.619 17.531 ( -1.036 0.648 -0.000) 1.222 17.637 ( -9.764 4.358 -0.000) 10.693 17.885 ( -6.353 0.627 -0.000) 6.383 18.248 ( 3.794 5.823 0.000) 6.950 18.265 ( -2.518 -6.576 -0.000) 7.042 18.459 ( 0.721 1.212 0.000) 1.411 18.503 ( -1.504 -2.126 -0.000) 2.604 18.602 ( -0.528 -5.078 -0.000) 5.106 18.868 ( 3.510 -11.147 -0.000) 11.686 18.874 ( 2.601 -0.995 0.000) 2.785 31.553 ( -0.463 3.453 0.000) 3.484 31.695 ( -0.635 -1.063 -0.000) 1.238 31.855 ( 0.045 -0.637 -0.000) 0.639 31.989 ( -4.082 -0.178 -0.000) 4.086 51.050 ( 2.799 -0.936 0.000) 2.952 51.397 ( 3.097 -11.541 -0.000) 11.949 51.523 ( 7.416 10.525 0.000) 12.875 52.882 ( -7.197 -12.956 -0.000) 14.820 ======================= Grid point 131 (56/75) ======================= q-point: ( 0.19 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -14.295 16.676 -0.000) 21.964 2.913 ( -18.946 5.107 -0.000) 19.622 3.621 ( 15.884 -6.579 0.000) 17.193 3.686 ( 3.218 -0.647 0.000) 3.283 4.112 ( -6.450 10.657 -0.000) 12.458 4.238 ( -6.210 -0.842 -0.000) 6.266 5.003 ( 14.449 11.857 0.000) 18.692 5.375 ( 0.284 -9.504 -0.000) 9.508 6.116 ( 17.442 -3.630 0.000) 17.816 6.333 ( 19.778 3.189 0.000) 20.033 6.710 ( 13.889 -4.584 0.000) 14.625 6.779 ( 44.037 -7.177 0.000) 44.618 7.327 ( 24.760 -12.837 0.000) 27.890 7.795 ( -11.455 -32.775 -0.000) 34.719 7.871 ( 5.974 -9.907 0.000) 11.569 7.934 ( 1.404 -10.948 -0.000) 11.037 8.298 ( 5.708 -8.035 0.000) 9.856 8.446 ( 0.603 -16.747 -0.000) 16.758 8.654 ( 20.471 8.442 0.000) 22.143 8.713 ( -12.865 21.058 -0.000) 24.677 8.822 ( -5.509 6.654 -0.000) 8.638 9.186 ( 3.613 -31.061 -0.000) 31.270 9.364 ( 11.962 17.851 0.000) 21.488 10.036 ( 2.274 7.902 0.000) 8.222 10.168 ( -15.581 -27.089 -0.000) 31.250 10.276 ( -11.178 -2.894 -0.000) 11.546 10.572 ( 4.429 26.496 0.000) 26.864 10.891 ( 5.630 11.445 0.000) 12.755 10.893 ( -5.518 -5.261 -0.000) 7.624 11.201 ( -4.688 -6.566 -0.000) 8.068 11.428 ( 4.831 -0.245 0.000) 4.837 11.693 ( -20.242 0.832 -0.000) 20.259 11.964 ( -2.967 6.694 0.000) 7.322 12.019 ( -5.583 3.277 -0.000) 6.473 12.347 ( 9.117 9.405 0.000) 13.098 12.603 ( -5.167 -1.764 -0.000) 5.460 12.902 ( 6.860 0.078 0.000) 6.860 13.003 ( -0.843 -3.026 -0.000) 3.142 13.370 ( 15.333 -0.713 0.000) 15.350 13.544 ( 2.632 -9.378 -0.000) 9.740 13.647 ( 5.538 1.847 0.000) 5.838 13.892 ( 2.058 4.327 0.000) 4.792 13.911 ( -3.871 -9.875 -0.000) 10.606 14.004 ( -2.822 -2.755 -0.000) 3.944 14.117 ( 1.917 -2.383 0.000) 3.059 14.152 ( 1.950 -8.149 -0.000) 8.379 14.565 ( -0.043 7.638 0.000) 7.638 14.666 ( -6.160 7.724 -0.000) 9.879 15.236 ( -10.892 8.229 -0.000) 13.651 15.316 ( -17.335 12.798 -0.000) 21.547 15.708 ( 4.121 5.335 0.000) 6.742 15.898 ( -6.003 -4.094 -0.000) 7.266 16.791 ( 0.097 14.594 0.000) 14.594 17.105 ( -14.814 0.139 -0.000) 14.814 17.493 ( -6.107 4.242 -0.000) 7.435 17.522 ( -10.388 5.501 -0.000) 11.755 17.883 ( 2.608 2.914 0.000) 3.910 18.054 ( -4.071 -7.273 -0.000) 8.334 18.415 ( 3.982 2.912 0.000) 4.933 18.473 ( -0.880 0.648 -0.000) 1.093 18.477 ( -0.163 0.053 -0.000) 0.171 18.512 ( 0.982 -5.137 -0.000) 5.230 18.817 ( 1.447 0.317 0.000) 1.482 18.872 ( -1.287 -0.920 -0.000) 1.582 31.609 ( -0.594 3.512 0.000) 3.562 31.659 ( -2.085 -0.108 -0.000) 2.088 31.852 ( 0.715 0.019 0.000) 0.715 31.898 ( -2.714 -1.462 -0.000) 3.082 51.117 ( 7.250 -1.999 0.000) 7.521 51.243 ( 3.003 -10.626 -0.000) 11.043 51.936 ( 13.197 11.665 0.000) 17.613 52.432 ( -11.025 -14.992 -0.000) 18.610 ======================= Grid point 137 (57/75) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.000 -0.000 -28.785) 28.785 1.666 ( 0.000 -0.000 -28.785) 28.785 2.828 ( 0.000 -0.000 -67.974) 67.974 3.595 ( -0.000 0.000 6.553) 6.553 3.595 ( -0.000 0.000 6.553) 6.553 3.784 ( -0.000 0.000 2.002) 2.002 3.784 ( -0.000 0.000 2.002) 2.002 4.417 ( 0.000 -0.000 -9.572) 9.572 5.947 ( -0.000 0.000 7.404) 7.404 6.102 ( 0.000 -0.000 -5.260) 5.260 6.102 ( 0.000 -0.000 -5.260) 5.260 6.905 ( 0.000 -0.000 -4.727) 4.727 7.130 ( -0.000 0.000 3.150) 3.150 7.130 ( -0.000 0.000 3.150) 3.150 7.139 ( 0.000 -0.000 -2.626) 2.626 7.675 ( -0.000 0.000 12.947) 12.947 7.715 ( -0.000 0.000 14.594) 14.594 8.106 ( -0.000 0.000 12.360) 12.360 8.106 ( -0.000 0.000 12.360) 12.360 8.674 ( -0.000 0.000 15.065) 15.065 8.777 ( 0.000 -0.000 -9.813) 9.813 8.777 ( 0.000 -0.000 -9.813) 9.813 10.065 ( 0.000 -0.000 -16.905) 16.905 10.319 ( 0.000 -0.000 -16.635) 16.635 10.435 ( -0.000 0.000 6.780) 6.780 10.435 ( -0.000 0.000 6.780) 6.780 10.585 ( 0.000 -0.000 -2.739) 2.739 10.990 ( 0.000 -0.000 -1.941) 1.941 11.238 ( 0.000 -0.000 -6.100) 6.100 11.265 ( 0.000 -0.000 -2.670) 2.670 11.265 ( 0.000 -0.000 -2.670) 2.670 11.865 ( 0.000 -0.000 -0.550) 0.550 11.865 ( 0.000 -0.000 -0.550) 0.550 12.263 ( -0.000 0.000 5.515) 5.515 12.367 ( -0.000 0.000 11.472) 11.472 12.686 ( -0.000 0.000 7.085) 7.085 12.686 ( -0.000 0.000 7.085) 7.085 12.962 ( 0.000 -0.000 -7.269) 7.269 12.988 ( -0.000 0.000 6.973) 6.973 13.338 ( -0.000 0.000 5.264) 5.264 13.588 ( 0.000 -0.000 -2.625) 2.625 13.806 ( -0.000 0.000 7.087) 7.087 13.806 ( -0.000 0.000 7.087) 7.087 14.118 ( 0.000 -0.000 -20.567) 20.567 14.410 ( -0.000 0.000 0.625) 0.625 14.410 ( -0.000 0.000 0.625) 0.625 14.849 ( 0.000 -0.000 -18.057) 18.057 14.849 ( 0.000 -0.000 -18.057) 18.057 15.041 ( -0.000 0.000 18.281) 18.281 15.067 ( -0.000 0.000 16.703) 16.703 17.046 ( -0.000 0.000 4.690) 4.690 17.249 ( -0.000 0.000 7.088) 7.088 17.374 ( -0.000 0.000 0.248) 0.248 17.374 ( -0.000 0.000 0.248) 0.248 17.631 ( 0.000 -0.000 -2.928) 2.928 17.631 ( 0.000 -0.000 -2.928) 2.928 18.061 ( 0.000 -0.000 -1.097) 1.097 18.061 ( 0.000 -0.000 -1.097) 1.097 18.188 ( 0.000 -0.000 -7.601) 7.601 18.344 ( 0.000 -0.000 -1.383) 1.383 18.515 ( 0.000 -0.000 -0.982) 0.982 18.650 ( -0.000 0.000 4.707) 4.707 18.650 ( -0.000 0.000 4.707) 4.707 19.043 ( -0.000 0.000 5.037) 5.037 31.477 ( 0.000 -0.000 -2.167) 2.167 31.813 ( -0.000 0.000 0.969) 0.969 31.830 ( 0.000 -0.000 -2.499) 2.499 31.859 ( 0.000 -0.000 -1.301) 1.301 50.925 ( -0.000 0.000 2.320) 2.320 50.925 ( -0.000 0.000 2.320) 2.320 51.925 ( 0.000 -0.000 -0.528) 0.528 51.925 ( 0.000 -0.000 -0.528) 0.528 ======================= Grid point 141 (58/75) ======================= q-point: (-0.20 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -6.268 -6.268 -6.712) 11.120 2.366 ( 6.268 6.268 -6.712) 11.120 3.291 ( -5.592 -5.592 12.522) 14.810 3.291 ( 5.592 5.592 12.522) 14.810 3.771 ( -4.790 -4.790 1.586) 6.957 3.771 ( 4.790 4.790 1.586) 6.957 6.307 ( -14.180 -14.180 -26.197) 32.991 6.307 ( 14.180 14.180 -26.197) 32.991 6.800 ( -4.915 -4.915 17.979) 19.275 6.800 ( 4.915 4.915 17.979) 19.275 7.065 ( -3.610 -3.610 0.957) 5.194 7.065 ( 3.610 3.610 0.957) 5.194 7.884 ( -6.545 -6.545 0.707) 9.283 7.884 ( 6.545 6.545 0.707) 9.283 8.053 ( -4.902 -4.902 1.301) 7.053 8.053 ( 4.902 4.902 1.301) 7.053 8.304 ( -0.717 -0.717 0.214) 1.036 8.304 ( 0.717 0.717 0.214) 1.036 8.531 ( -4.453 -4.453 -1.899) 6.577 8.531 ( 4.453 4.453 -1.899) 6.577 9.542 ( -14.710 -14.710 0.938) 20.824 9.542 ( 14.710 14.710 0.938) 20.824 9.939 ( -10.515 -10.515 2.692) 15.112 9.939 ( 10.515 10.515 2.692) 15.112 10.136 ( -1.497 -1.497 -2.554) 3.317 10.136 ( 1.497 1.497 -2.554) 3.317 10.196 ( -7.669 -7.669 1.585) 10.960 10.196 ( 7.669 7.669 1.585) 10.960 11.173 ( -4.452 -4.452 -3.593) 7.249 11.173 ( 4.452 4.452 -3.593) 7.249 11.636 ( -4.068 -4.068 -3.158) 6.563 11.636 ( 4.068 4.068 -3.158) 6.563 12.267 ( -1.891 -1.891 -14.192) 14.442 12.267 ( 1.891 1.891 -14.192) 14.442 12.392 ( -1.169 -1.169 -0.370) 1.694 12.392 ( 1.169 1.169 -0.370) 1.694 12.858 ( -0.511 -0.511 1.821) 1.960 12.858 ( 0.511 0.511 1.821) 1.960 13.019 ( -1.823 -1.823 20.717) 20.877 13.019 ( 1.823 1.823 20.717) 20.877 13.816 ( -3.940 -3.940 0.403) 5.587 13.816 ( 3.940 3.940 0.403) 5.587 13.900 ( -2.161 -2.161 2.669) 4.058 13.900 ( 2.161 2.161 2.669) 4.058 14.340 ( -5.166 -5.166 -6.669) 9.892 14.340 ( 5.166 5.166 -6.669) 9.892 14.467 ( -6.060 -6.060 4.914) 9.879 14.467 ( 6.060 6.060 4.914) 9.879 15.216 ( -0.381 -0.381 -12.188) 12.200 15.216 ( 0.381 0.381 -12.188) 12.200 15.715 ( -6.196 -6.196 5.908) 10.568 15.715 ( 6.196 6.196 5.908) 10.568 16.638 ( -5.114 -5.114 -0.088) 7.233 16.638 ( 5.114 5.114 -0.088) 7.233 17.218 ( -1.904 -1.904 0.243) 2.704 17.218 ( 1.904 1.904 0.243) 2.704 17.976 ( -4.321 -4.321 0.146) 6.113 17.976 ( 4.321 4.321 0.146) 6.113 18.389 ( -1.241 -1.241 0.961) 2.001 18.389 ( 1.241 1.241 0.961) 2.001 18.609 ( -3.756 -3.756 -1.023) 5.410 18.609 ( 3.756 3.756 -1.023) 5.410 18.829 ( -0.578 -0.578 0.190) 0.839 18.829 ( 0.578 0.578 0.190) 0.839 31.570 ( -1.506 -1.506 -0.230) 2.142 31.570 ( 1.506 1.506 -0.230) 2.142 31.863 ( -0.268 -0.268 0.368) 0.528 31.863 ( 0.268 0.268 0.368) 0.528 51.405 ( -4.691 -4.691 -0.215) 6.637 51.405 ( 4.691 4.691 -0.215) 6.637 52.168 ( -9.691 -9.691 0.549) 13.716 52.168 ( 9.691 9.691 0.549) 13.716 ======================= Grid point 146 (59/75) ======================= q-point: ( 0.41 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 0.000 -21.663 12.332) 24.927 3.249 ( -0.000 5.556 2.232) 5.987 3.331 ( 0.000 0.448 -17.484) 17.489 3.625 ( 0.000 -1.461 -11.678) 11.769 4.347 ( -0.000 18.001 2.932) 18.238 4.660 ( 0.000 -5.632 0.587) 5.662 4.685 ( 0.000 -11.701 -27.322) 29.722 4.687 ( 0.000 4.842 -11.588) 12.559 4.932 ( -0.000 36.130 1.552) 36.163 5.955 ( -0.000 3.596 7.894) 8.675 6.459 ( -0.000 3.938 25.699) 25.999 6.473 ( -0.000 -4.710 19.854) 20.405 7.447 ( 0.000 -5.400 -1.720) 5.667 7.460 ( 0.000 -9.281 3.083) 9.780 7.700 ( 0.000 -15.804 -18.246) 24.138 7.948 ( 0.000 -38.146 -10.625) 39.598 8.245 ( 0.000 -16.772 -1.919) 16.881 8.336 ( 0.000 -28.272 0.361) 28.274 8.337 ( 0.000 -18.554 4.380) 19.064 8.502 ( -0.000 22.631 2.231) 22.740 8.911 ( -0.000 19.703 -6.418) 20.722 9.141 ( 0.000 -13.503 3.986) 14.079 9.762 ( -0.000 5.396 8.485) 10.056 10.061 ( -0.000 8.864 4.321) 9.861 10.100 ( 0.000 6.726 -15.223) 16.643 10.646 ( -0.000 11.235 13.141) 17.289 10.701 ( 0.000 1.369 -2.467) 2.821 10.737 ( -0.000 7.140 4.302) 8.336 10.899 ( 0.000 -9.014 -4.928) 10.273 11.344 ( -0.000 -5.950 5.542) 8.131 11.355 ( -0.000 -5.956 8.208) 10.141 11.999 ( -0.000 7.132 -2.951) 7.718 12.022 ( -0.000 5.237 -2.122) 5.651 12.225 ( -0.000 8.159 -0.183) 8.161 12.326 ( -0.000 3.441 11.149) 11.667 12.348 ( 0.000 -2.451 -18.938) 19.096 12.789 ( -0.000 1.459 -0.142) 1.466 12.900 ( 0.000 -2.211 -2.769) 3.543 13.188 ( -0.000 -1.394 6.399) 6.549 13.440 ( 0.000 -17.777 -9.305) 20.065 13.556 ( 0.000 -1.365 0.449) 1.437 13.831 ( 0.000 3.073 -2.245) 3.806 13.861 ( 0.000 -2.316 -2.954) 3.753 13.997 ( -0.000 3.048 0.118) 3.050 14.117 ( 0.000 -3.424 -2.185) 4.062 14.415 ( -0.000 -2.205 20.320) 20.439 14.536 ( -0.000 4.728 -1.861) 5.081 14.754 ( -0.000 11.438 -4.378) 12.247 15.407 ( 0.000 -5.812 -1.993) 6.144 15.434 ( 0.000 -1.927 -7.426) 7.672 15.876 ( -0.000 21.827 5.613) 22.537 16.093 ( -0.000 3.790 -0.212) 3.796 16.813 ( -0.000 13.161 1.196) 13.215 17.365 ( -0.000 -0.180 0.399) 0.438 17.564 ( 0.000 3.874 -2.519) 4.621 17.760 ( 0.000 2.680 -4.483) 5.223 18.014 ( -0.000 0.186 3.389) 3.394 18.172 ( 0.000 -6.283 2.537) 6.776 18.282 ( -0.000 2.672 -0.417) 2.705 18.451 ( 0.000 -1.304 -0.566) 1.422 18.470 ( -0.000 1.650 -0.092) 1.652 18.573 ( 0.000 -2.951 0.442) 2.984 18.744 ( 0.000 -1.571 -0.903) 1.812 18.851 ( -0.000 3.010 4.435) 5.360 31.603 ( 0.000 1.183 -1.782) 2.139 31.698 ( -0.000 1.107 1.356) 1.750 31.843 ( 0.000 -0.211 -0.251) 0.328 31.987 ( 0.000 -2.600 -1.089) 2.819 50.985 ( 0.000 -2.887 0.539) 2.937 51.166 ( 0.000 -10.130 0.981) 10.177 51.630 ( -0.000 9.513 -0.566) 9.530 52.671 ( 0.000 -15.344 0.969) 15.374 ======================= Grid point 148 (60/75) ======================= q-point: (-0.59 -0.21 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 25.655 -17.927 1.942) 31.358 3.016 ( 0.367 -16.741 1.557) 16.817 3.436 ( 1.689 3.242 1.060) 3.807 3.528 ( -7.016 1.474 -4.985) 8.732 4.325 ( -7.232 3.885 -15.769) 17.778 4.407 ( -1.369 -7.982 -27.515) 28.683 4.672 ( -11.745 12.940 -1.975) 17.586 5.342 ( 43.645 2.165 -17.036) 46.902 5.918 ( 22.226 4.559 14.946) 27.169 6.049 ( 10.164 16.675 17.458) 26.194 6.340 ( -6.238 2.993 7.303) 10.060 6.611 ( 0.617 -14.216 4.832) 15.028 7.032 ( -10.845 -13.438 -6.715) 18.528 7.143 ( 14.813 -17.723 -1.501) 23.147 7.310 ( -11.586 -35.010 2.699) 36.976 7.639 ( 3.518 -11.520 -0.493) 12.055 7.714 ( 12.682 -6.264 -3.248) 14.513 8.003 ( 7.356 -22.049 2.345) 23.361 8.232 ( 16.035 -13.811 -0.011) 21.163 8.710 ( 4.997 -21.187 13.198) 25.457 8.947 ( 5.522 9.410 -1.312) 10.989 9.138 ( -4.699 6.624 -8.328) 11.633 9.828 ( -13.708 12.518 -4.090) 19.009 10.062 ( -4.242 2.232 1.125) 4.924 10.266 ( -2.019 13.416 -0.146) 13.568 10.545 ( -14.074 2.300 1.608) 14.351 10.758 ( 2.816 -2.476 -0.940) 3.865 10.814 ( 0.950 -0.410 0.559) 1.176 11.050 ( 3.312 6.544 5.933) 9.434 11.218 ( -1.895 -4.742 5.459) 7.476 11.587 ( 8.346 21.674 4.073) 23.580 12.054 ( -3.238 4.368 -2.817) 6.123 12.139 ( -16.018 -1.001 0.719) 16.065 12.198 ( 2.874 2.747 -3.110) 5.048 12.298 ( 2.337 -1.867 -14.116) 14.429 12.368 ( 0.850 -2.807 -5.752) 6.456 12.744 ( -1.956 -1.300 8.786) 9.095 12.944 ( 8.803 -4.119 -4.763) 10.824 13.095 ( 2.658 -11.705 1.531) 12.101 13.184 ( 5.052 -7.886 0.491) 9.378 13.579 ( 4.005 0.563 1.658) 4.371 13.743 ( -4.319 -4.556 -1.252) 6.402 13.862 ( 2.577 -3.928 -2.722) 5.430 14.058 ( -1.216 1.577 3.197) 3.767 14.110 ( 0.011 5.795 3.627) 6.836 14.339 ( -1.496 -3.123 17.593) 17.931 14.648 ( -1.724 6.466 -7.577) 10.109 14.826 ( -2.667 0.932 -1.499) 3.198 15.391 ( -1.232 1.369 -7.895) 8.107 15.474 ( 3.911 1.323 -4.778) 6.315 16.043 ( -13.961 14.839 -4.580) 20.882 16.263 ( -9.188 17.398 8.463) 21.418 17.113 ( -0.597 16.358 0.688) 16.383 17.324 ( -5.387 0.513 0.547) 5.439 17.635 ( -1.612 5.079 -3.765) 6.525 17.724 ( -6.619 1.903 -5.219) 8.641 17.910 ( -6.563 -0.725 1.173) 6.706 18.078 ( 0.854 -3.194 7.418) 8.122 18.349 ( 1.407 1.695 -1.355) 2.586 18.441 ( -3.067 -0.998 -1.524) 3.567 18.467 ( 1.645 -0.209 0.507) 1.734 18.548 ( 0.634 0.633 2.617) 2.766 18.744 ( 2.563 -2.060 -2.723) 4.269 18.953 ( 2.836 1.671 7.668) 8.345 31.607 ( 0.070 -0.238 -2.973) 2.984 31.723 ( 0.003 0.872 2.768) 2.902 31.854 ( -0.152 1.898 -1.048) 2.173 31.913 ( -2.681 -1.475 -1.341) 3.341 50.956 ( 3.466 -3.447 0.550) 4.919 51.024 ( 2.949 -7.710 1.597) 8.408 51.887 ( 9.058 7.825 -0.891) 12.004 52.309 ( -4.506 -16.024 2.689) 16.861 ======================= Grid point 166 (61/75) ======================= q-point: (-0.36 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 0.000 -17.090 6.862) 18.416 2.359 ( 0.000 -37.215 3.836) 37.412 3.515 ( 0.000 11.884 -25.608) 28.231 3.654 ( -0.000 7.771 3.183) 8.397 3.766 ( 0.000 -3.143 -23.525) 23.734 3.825 ( 0.000 -9.364 -7.730) 12.142 4.383 ( 0.000 -10.056 -36.890) 38.236 4.808 ( 0.000 -13.382 -16.400) 21.167 5.743 ( 0.000 -6.919 0.258) 6.924 5.985 ( -0.000 13.406 2.800) 13.695 6.337 ( -0.000 -14.019 10.086) 17.270 6.823 ( -0.000 8.542 3.617) 9.276 7.158 ( -0.000 -5.804 4.238) 7.186 7.239 ( 0.000 -3.989 -2.330) 4.620 7.262 ( -0.000 10.570 5.446) 11.890 7.393 ( 0.000 -20.990 -0.710) 21.002 7.479 ( -0.000 -6.309 9.415) 11.333 7.637 ( -0.000 11.327 17.762) 21.066 7.907 ( -0.000 -9.482 10.844) 14.405 8.544 ( -0.000 -21.036 17.903) 27.623 8.961 ( 0.000 2.710 -6.907) 7.420 8.986 ( 0.000 1.137 -12.500) 12.551 10.168 ( -0.000 12.630 0.328) 12.634 10.263 ( -0.000 6.195 4.711) 7.783 10.356 ( 0.000 5.386 -14.351) 15.329 10.594 ( 0.000 -2.260 -6.911) 7.271 10.721 ( 0.000 -6.829 1.263) 6.945 10.895 ( -0.000 9.363 1.337) 9.458 11.221 ( -0.000 1.084 5.917) 6.016 11.267 ( -0.000 -3.165 4.779) 5.732 11.581 ( 0.000 -6.354 -20.892) 21.837 11.864 ( -0.000 10.495 -5.167) 11.698 12.074 ( 0.000 -9.761 -7.938) 12.581 12.152 ( -0.000 3.921 0.453) 3.948 12.173 ( -0.000 3.061 1.693) 3.498 12.555 ( -0.000 2.649 5.566) 6.164 12.697 ( 0.000 -11.427 2.466) 11.690 12.824 ( -0.000 0.835 4.113) 4.196 13.096 ( 0.000 -2.848 -2.806) 3.998 13.103 ( -0.000 3.006 15.375) 15.666 13.605 ( -0.000 1.802 1.384) 2.273 13.725 ( -0.000 -3.722 2.282) 4.366 13.737 ( -0.000 -5.684 4.612) 7.319 14.273 ( -0.000 8.759 0.591) 8.779 14.306 ( -0.000 7.203 3.091) 7.838 14.504 ( 0.000 0.698 -13.927) 13.945 14.680 ( -0.000 -4.878 21.930) 22.466 14.838 ( -0.000 0.033 2.968) 2.968 15.167 ( 0.000 -0.958 -13.080) 13.115 15.217 ( 0.000 -4.000 -12.415) 13.043 16.613 ( -0.000 34.093 -3.683) 34.291 16.808 ( -0.000 11.550 7.142) 13.580 17.367 ( -0.000 -0.128 0.454) 0.472 17.368 ( -0.000 4.817 1.410) 5.019 17.641 ( 0.000 5.591 -5.268) 7.682 17.709 ( 0.000 0.365 -5.060) 5.074 18.069 ( -0.000 0.171 0.441) 0.473 18.092 ( -0.000 -2.697 5.802) 6.398 18.329 ( 0.000 0.908 -5.997) 6.066 18.478 ( -0.000 2.279 3.425) 4.114 18.502 ( 0.000 -3.283 1.032) 3.441 18.556 ( -0.000 -0.536 4.559) 4.590 18.625 ( 0.000 -4.816 0.169) 4.819 19.020 ( -0.000 -7.477 8.702) 11.473 31.534 ( 0.000 -0.600 -2.920) 2.981 31.779 ( -0.000 -0.202 2.477) 2.485 31.865 ( 0.000 1.661 -2.338) 2.868 31.889 ( 0.000 0.225 -2.160) 2.171 50.899 ( -0.000 -2.067 2.130) 2.968 50.916 ( 0.000 -4.002 2.218) 4.576 51.895 ( -0.000 4.157 -0.578) 4.197 52.100 ( 0.000 -15.456 3.079) 15.759 ======================= Grid point 174 (62/75) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 0.000 -16.254 -0.000) 16.254 3.206 ( 0.000 -3.303 -0.000) 3.303 3.363 ( -0.000 29.445 0.000) 29.445 3.713 ( 0.000 -2.834 -0.000) 2.834 4.109 ( -0.000 7.177 0.000) 7.177 4.148 ( -0.000 40.677 0.000) 40.677 4.465 ( -0.000 8.245 0.000) 8.245 4.669 ( -0.000 6.859 0.000) 6.859 5.239 ( 0.000 -12.619 -0.000) 12.619 5.945 ( -0.000 6.748 0.000) 6.748 6.215 ( 0.000 -13.284 -0.000) 13.284 6.364 ( 0.000 -9.354 -0.000) 9.354 7.581 ( 0.000 -6.079 -0.000) 6.079 7.585 ( 0.000 -8.509 -0.000) 8.509 7.886 ( -0.000 30.640 0.000) 30.640 8.082 ( 0.000 -7.396 -0.000) 7.396 8.433 ( -0.000 4.840 0.000) 4.840 8.448 ( -0.000 19.370 0.000) 19.370 8.471 ( 0.000 -4.618 -0.000) 4.618 8.636 ( 0.000 -0.713 -0.000) 0.713 8.815 ( 0.000 -21.710 -0.000) 21.710 9.521 ( 0.000 -2.151 -0.000) 2.151 9.586 ( -0.000 43.082 0.000) 43.082 9.688 ( 0.000 -27.153 -0.000) 27.153 9.891 ( -0.000 1.027 0.000) 1.027 10.538 ( -0.000 9.020 0.000) 9.020 10.626 ( 0.000 -7.472 -0.000) 7.472 10.723 ( 0.000 -0.731 -0.000) 0.731 11.363 ( 0.000 -8.474 -0.000) 8.474 11.383 ( 0.000 -4.911 -0.000) 4.911 11.403 ( 0.000 -28.013 -0.000) 28.013 11.854 ( -0.000 9.719 0.000) 9.719 11.917 ( -0.000 10.246 0.000) 10.246 12.035 ( -0.000 10.633 0.000) 10.633 12.099 ( -0.000 2.739 0.000) 2.739 12.595 ( -0.000 0.605 0.000) 0.605 12.746 ( -0.000 3.682 0.000) 3.682 12.985 ( 0.000 -0.151 -0.000) 0.151 13.051 ( -0.000 2.750 0.000) 2.750 13.591 ( 0.000 -1.708 -0.000) 1.708 13.717 ( -0.000 9.044 0.000) 9.044 13.837 ( 0.000 -11.045 -0.000) 11.045 13.967 ( 0.000 -4.121 -0.000) 4.121 14.072 ( 0.000 -0.209 -0.000) 0.209 14.130 ( 0.000 -2.256 -0.000) 2.256 14.257 ( 0.000 -1.181 -0.000) 1.181 14.428 ( -0.000 23.699 0.000) 23.699 14.577 ( 0.000 -10.268 -0.000) 10.268 15.367 ( -0.000 19.846 0.000) 19.846 15.540 ( 0.000 -1.107 -0.000) 1.107 15.629 ( 0.000 -12.300 -0.000) 12.300 16.128 ( 0.000 -5.984 -0.000) 5.984 16.677 ( 0.000 -1.054 -0.000) 1.054 17.364 ( 0.000 -0.159 -0.000) 0.159 17.534 ( -0.000 1.501 0.000) 1.501 17.738 ( -0.000 4.183 0.000) 4.183 17.981 ( 0.000 -0.893 -0.000) 0.893 18.194 ( -0.000 5.640 0.000) 5.640 18.288 ( 0.000 -5.978 -0.000) 5.978 18.451 ( -0.000 1.275 0.000) 1.275 18.507 ( 0.000 -4.576 -0.000) 4.576 18.636 ( 0.000 -3.311 -0.000) 3.311 18.822 ( 0.000 -9.461 -0.000) 9.461 18.827 ( 0.000 -1.777 -0.000) 1.777 31.557 ( -0.000 3.564 0.000) 3.564 31.699 ( 0.000 -1.246 -0.000) 1.246 31.855 ( 0.000 -0.637 -0.000) 0.637 32.034 ( 0.000 -0.617 -0.000) 0.617 51.024 ( 0.000 -1.443 -0.000) 1.443 51.364 ( 0.000 -11.201 -0.000) 11.201 51.448 ( -0.000 9.974 0.000) 9.974 52.953 ( 0.000 -13.356 -0.000) 13.356 ======================= Grid point 175 (63/75) ======================= q-point: ( 0.25 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 27.202 -18.729 0.000) 33.027 3.037 ( -15.474 8.591 -0.000) 17.699 3.536 ( -11.827 2.357 -0.000) 12.059 3.628 ( 2.752 -4.327 0.000) 5.128 4.290 ( -0.512 5.604 0.000) 5.627 4.326 ( -15.468 15.358 -0.000) 21.797 4.853 ( 2.050 12.969 0.000) 13.130 5.387 ( 16.451 26.668 0.000) 31.333 5.512 ( 41.530 -7.170 0.000) 42.144 5.702 ( 10.531 -10.037 0.000) 14.548 6.236 ( 11.184 4.994 0.000) 12.248 6.602 ( 21.088 -10.100 0.000) 23.382 7.123 ( -11.182 -7.781 -0.000) 13.623 7.713 ( 11.222 -9.813 0.000) 14.907 7.912 ( 0.503 -11.490 -0.000) 11.501 8.039 ( -12.541 -33.328 -0.000) 35.609 8.187 ( 6.422 -27.900 -0.000) 28.629 8.358 ( 6.889 5.580 0.000) 8.865 8.404 ( 4.276 -23.593 -0.000) 23.977 8.653 ( 15.352 12.825 0.000) 20.004 8.910 ( -7.296 21.113 0.000) 22.338 9.112 ( 3.393 -32.423 -0.000) 32.600 9.501 ( -15.600 19.461 -0.000) 24.942 10.011 ( 0.444 9.467 0.000) 9.477 10.359 ( -4.820 -20.374 -0.000) 20.937 10.458 ( 6.238 31.441 0.000) 32.054 10.514 ( -11.868 0.288 -0.000) 11.872 10.801 ( 3.991 8.477 0.000) 9.370 10.950 ( -1.732 -11.784 -0.000) 11.911 11.258 ( -2.203 -5.725 -0.000) 6.134 11.323 ( 5.708 -0.768 0.000) 5.760 12.006 ( -2.714 7.655 0.000) 8.122 12.070 ( -14.329 5.208 -0.000) 15.246 12.110 ( -3.750 2.825 -0.000) 4.695 12.179 ( 7.201 9.512 0.000) 11.930 12.649 ( 1.805 -0.553 0.000) 1.888 12.787 ( 2.116 0.307 0.000) 2.138 13.022 ( -1.168 -3.975 -0.000) 4.143 13.101 ( 11.657 -1.086 0.000) 11.707 13.517 ( 0.246 -15.202 -0.000) 15.204 13.576 ( 2.384 -1.272 0.000) 2.702 13.876 ( -0.024 7.213 0.000) 7.213 13.932 ( 1.935 -6.359 -0.000) 6.647 14.067 ( -3.761 2.544 -0.000) 4.541 14.085 ( 1.316 -3.716 -0.000) 3.942 14.129 ( 0.145 -12.737 -0.000) 12.738 14.563 ( 0.276 8.280 0.000) 8.285 14.768 ( -4.051 11.703 0.000) 12.385 15.383 ( -4.558 0.077 -0.000) 4.558 15.513 ( -1.476 0.904 -0.000) 1.731 15.722 ( -6.494 20.087 0.000) 21.111 16.030 ( -6.668 0.216 -0.000) 6.671 16.795 ( -0.430 13.626 0.000) 13.632 17.309 ( -6.220 0.581 -0.000) 6.247 17.575 ( -2.237 4.042 -0.000) 4.620 17.721 ( -9.265 4.250 -0.000) 10.193 17.899 ( -4.125 0.684 -0.000) 4.182 18.119 ( -2.489 -8.373 -0.000) 8.735 18.340 ( 3.947 3.062 0.000) 4.996 18.471 ( 1.352 -1.387 0.000) 1.937 18.477 ( 0.126 1.068 0.000) 1.076 18.523 ( -2.757 -2.993 -0.000) 4.069 18.786 ( 1.547 1.276 0.000) 2.005 18.849 ( 3.677 -1.660 0.000) 4.034 31.621 ( -0.505 3.346 0.000) 3.384 31.678 ( -0.232 -0.673 -0.000) 0.712 31.845 ( 0.031 -0.045 0.000) 0.054 31.963 ( -3.388 -2.077 -0.000) 3.974 51.013 ( 3.595 -2.818 0.000) 4.568 51.184 ( 2.677 -10.505 -0.000) 10.840 51.721 ( 8.585 10.086 0.000) 13.246 52.602 ( -6.375 -16.184 -0.000) 17.395 ======================= Grid point 176 (64/75) ======================= q-point: ( 0.25 0.75 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( -1.549 -0.789 -0.000) 1.739 2.974 ( 0.789 1.549 0.000) 1.739 3.509 ( 7.054 -10.127 0.000) 12.342 3.509 ( 10.127 -7.054 0.000) 12.342 4.311 ( -10.266 10.225 0.000) 14.489 4.311 ( -10.225 10.266 0.000) 14.489 5.182 ( -2.738 -2.153 0.000) 3.483 5.182 ( 2.153 2.738 0.000) 3.483 6.223 ( -8.908 -22.046 -0.000) 23.777 6.223 ( 22.046 8.908 0.000) 23.777 6.613 ( 12.373 -13.421 0.000) 18.254 6.613 ( 13.421 -12.373 0.000) 18.254 7.082 ( 1.842 -29.377 -0.000) 29.435 7.082 ( 29.377 -1.842 0.000) 29.435 7.667 ( 10.392 -15.050 0.000) 18.289 7.667 ( 15.050 -10.392 0.000) 18.289 8.106 ( 9.298 -14.560 0.000) 17.276 8.106 ( 14.560 -9.298 0.000) 17.276 8.631 ( 9.272 -22.888 -0.000) 24.694 8.631 ( 22.888 -9.272 0.000) 24.694 9.052 ( -11.495 8.331 -0.000) 14.197 9.052 ( -8.331 11.495 -0.000) 14.197 9.772 ( -18.270 -6.667 -0.000) 19.448 9.772 ( 6.667 18.270 0.000) 19.448 10.245 ( -13.483 -0.204 -0.000) 13.485 10.245 ( 0.204 13.483 0.000) 13.485 10.819 ( -2.710 -3.190 -0.000) 4.185 10.819 ( 3.190 2.710 0.000) 4.185 11.086 ( -5.162 -4.901 -0.000) 7.118 11.086 ( 4.901 5.162 0.000) 7.118 11.662 ( -23.692 -4.120 -0.000) 24.048 11.662 ( 4.120 23.692 0.000) 24.048 12.080 ( -4.403 4.045 0.000) 5.980 12.080 ( -4.045 4.403 0.000) 5.980 12.501 ( -5.108 -6.768 -0.000) 8.479 12.501 ( 6.768 5.108 0.000) 8.479 12.898 ( 3.210 -4.731 0.000) 5.717 12.898 ( 4.731 -3.210 0.000) 5.717 13.310 ( 6.450 -12.890 0.000) 14.413 13.310 ( 12.890 -6.450 0.000) 14.413 13.698 ( -3.253 -9.976 -0.000) 10.493 13.698 ( 9.976 3.253 0.000) 10.493 13.999 ( -6.392 1.131 -0.000) 6.492 13.999 ( -1.131 6.392 0.000) 6.492 14.049 ( 3.694 -3.740 0.000) 5.257 14.049 ( 3.740 -3.694 0.000) 5.257 14.726 ( -6.654 2.231 -0.000) 7.018 14.726 ( -2.231 6.654 0.000) 7.018 15.463 ( -7.505 5.021 0.000) 9.029 15.463 ( -5.021 7.505 0.000) 9.029 15.897 ( -11.624 8.021 -0.000) 14.123 15.897 ( -8.021 11.624 0.000) 14.123 17.105 ( -15.650 0.165 -0.000) 15.650 17.105 ( -0.165 15.650 0.000) 15.650 17.617 ( -8.016 4.601 -0.000) 9.242 17.617 ( -4.601 8.016 -0.000) 9.242 17.934 ( -0.605 -2.798 0.000) 2.862 17.934 ( 2.798 0.605 0.000) 2.862 18.431 ( 0.720 -3.058 0.000) 3.142 18.431 ( 3.058 -0.720 0.000) 3.142 18.488 ( -0.814 0.814 0.000) 1.152 18.488 ( -0.814 0.814 0.000) 1.152 18.851 ( -0.268 -0.279 0.000) 0.387 18.851 ( 0.279 0.268 0.000) 0.387 31.660 ( -0.961 0.666 0.000) 1.170 31.660 ( -0.666 0.961 0.000) 1.170 31.872 ( -2.314 -0.937 -0.000) 2.497 31.872 ( 0.937 2.314 0.000) 2.497 51.065 ( 3.672 -7.440 -0.000) 8.296 51.065 ( 7.440 -3.672 0.000) 8.296 52.141 ( -8.613 -14.072 -0.000) 16.498 52.141 ( 14.072 8.613 0.000) 16.498 ======================= Grid point 191 (65/75) ======================= q-point: (-0.53 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -0.000 -21.088 12.893) 24.717 3.011 ( 0.000 -34.764 -1.864) 34.814 3.408 ( -0.000 10.176 2.687) 10.525 3.615 ( 0.000 3.436 -7.570) 8.313 4.468 ( 0.000 -9.455 -28.759) 30.273 4.473 ( 0.000 -7.109 -20.800) 21.982 4.782 ( 0.000 18.794 -11.439) 22.001 4.834 ( 0.000 10.255 -8.163) 13.107 5.549 ( -0.000 24.931 3.422) 25.164 6.035 ( -0.000 0.678 22.292) 22.302 6.466 ( -0.000 6.098 15.541) 16.695 6.581 ( -0.000 2.825 10.567) 10.938 6.915 ( 0.000 -38.911 -11.512) 40.578 7.317 ( 0.000 -12.593 0.346) 12.598 7.348 ( 0.000 -4.783 -1.468) 5.003 7.511 ( 0.000 -16.902 -1.149) 16.941 7.780 ( 0.000 -22.882 -2.257) 22.993 7.791 ( 0.000 -24.550 4.473) 24.954 8.077 ( 0.000 -14.085 -0.849) 14.110 8.661 ( 0.000 -26.107 15.688) 30.458 8.887 ( -0.000 11.769 0.987) 11.810 9.184 ( 0.000 6.415 -9.641) 11.580 10.015 ( -0.000 14.734 0.330) 14.737 10.059 ( 0.000 0.248 -6.267) 6.272 10.292 ( -0.000 14.986 0.151) 14.987 10.707 ( 0.000 -1.986 0.999) 2.223 10.754 ( -0.000 4.141 -1.931) 4.569 10.784 ( 0.000 -4.353 0.590) 4.393 11.007 ( -0.000 8.676 7.971) 11.782 11.240 ( -0.000 -4.805 5.014) 6.945 11.484 ( -0.000 20.886 2.994) 21.099 12.108 ( 0.000 3.836 -3.008) 4.875 12.112 ( 0.000 4.366 -6.493) 7.824 12.232 ( 0.000 -4.801 -18.391) 19.007 12.348 ( -0.000 -1.879 2.377) 3.030 12.396 ( -0.000 5.178 -1.015) 5.277 12.772 ( -0.000 -2.363 8.462) 8.786 12.842 ( 0.000 -3.777 -1.119) 3.939 13.057 ( 0.000 -20.940 -4.739) 21.470 13.135 ( -0.000 -3.537 6.370) 7.286 13.539 ( -0.000 -0.330 1.861) 1.890 13.805 ( 0.000 -3.347 -2.232) 4.023 13.820 ( 0.000 -7.878 -0.236) 7.881 14.080 ( -0.000 4.447 5.149) 6.804 14.086 ( -0.000 5.723 2.829) 6.384 14.374 ( -0.000 -1.710 16.225) 16.315 14.657 ( 0.000 6.519 -7.393) 9.857 14.856 ( 0.000 0.281 -2.805) 2.819 15.394 ( 0.000 -2.062 -6.942) 7.242 15.434 ( 0.000 3.020 -6.466) 7.137 16.190 ( -0.000 17.210 -2.974) 17.465 16.356 ( -0.000 19.447 7.349) 20.789 17.120 ( -0.000 16.483 1.054) 16.517 17.362 ( -0.000 -0.167 0.350) 0.388 17.648 ( 0.000 4.857 -4.157) 6.393 17.802 ( 0.000 1.619 -5.783) 6.006 18.021 ( -0.000 0.604 3.655) 3.704 18.046 ( -0.000 -5.833 5.358) 7.920 18.335 ( -0.000 2.889 -0.490) 2.930 18.443 ( 0.000 0.099 -1.040) 1.044 18.501 ( -0.000 1.168 -0.078) 1.170 18.520 ( -0.000 -2.449 1.675) 2.967 18.705 ( 0.000 -2.554 -1.573) 2.999 18.914 ( -0.000 1.500 6.929) 7.090 31.606 ( 0.000 -0.474 -3.009) 3.046 31.722 ( -0.000 0.745 2.732) 2.832 31.858 ( -0.000 1.955 -0.971) 2.183 31.941 ( 0.000 -1.781 -1.393) 2.261 50.922 ( 0.000 -3.469 0.996) 3.609 50.994 ( 0.000 -7.707 1.209) 7.801 51.794 ( -0.000 7.438 -0.439) 7.451 52.355 ( 0.000 -17.008 2.060) 17.132 ======================= Grid point 192 (66/75) ======================= q-point: (-0.53 -0.28 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 20.149 -20.149 1.402) 28.529 2.442 ( 28.898 -28.898 14.227) 43.274 3.573 ( -5.503 5.503 -0.430) 7.794 3.595 ( -4.824 4.824 1.487) 6.982 4.290 ( 1.432 -1.432 -39.164) 39.217 4.390 ( -0.270 0.270 -21.624) 21.627 4.925 ( -11.904 11.904 -5.852) 17.823 5.233 ( 16.203 -16.203 -16.380) 28.167 5.925 ( 2.813 -2.813 23.070) 23.411 5.947 ( 11.705 -11.705 -7.427) 18.143 6.209 ( 12.520 -12.520 -2.591) 17.894 6.708 ( -10.400 10.400 11.007) 18.370 6.912 ( 0.796 -0.796 -5.806) 5.914 6.977 ( -8.259 8.259 5.960) 13.113 7.056 ( -2.090 2.090 8.357) 8.864 7.396 ( 10.305 -10.305 10.327) 17.862 7.607 ( 10.378 -10.378 -1.592) 14.763 7.663 ( 11.746 -11.746 -0.699) 16.627 7.937 ( 15.438 -15.438 1.225) 21.867 8.299 ( 17.363 -17.363 20.381) 31.911 9.102 ( -1.916 1.916 -7.063) 7.565 9.141 ( -0.074 0.074 -4.940) 4.942 10.055 ( -11.505 11.505 -4.073) 16.772 10.186 ( -6.047 6.047 1.774) 8.734 10.501 ( -8.357 8.357 -6.831) 13.651 10.641 ( -7.453 7.453 3.044) 10.971 10.699 ( 2.701 -2.701 -2.110) 4.364 10.801 ( -0.452 0.452 2.261) 2.349 11.109 ( -0.177 0.177 4.684) 4.690 11.156 ( 0.943 -0.943 5.563) 5.720 11.978 ( -6.528 6.528 -2.476) 9.558 12.068 ( -1.859 1.859 -9.575) 9.930 12.126 ( -3.183 3.183 -2.856) 5.331 12.202 ( 1.464 -1.464 -11.386) 11.573 12.280 ( 2.170 -2.170 -7.360) 7.974 12.326 ( -3.306 3.306 -3.187) 5.658 12.736 ( -0.394 0.394 15.284) 15.294 12.834 ( 11.916 -11.916 1.305) 16.902 12.848 ( 6.261 -6.261 -0.842) 8.894 13.100 ( 2.842 -2.842 5.793) 7.051 13.589 ( 1.605 -1.605 1.919) 2.973 13.635 ( 2.843 -2.843 4.317) 5.900 13.782 ( 3.636 -3.636 -2.406) 5.677 14.116 ( -2.505 2.505 8.536) 9.242 14.244 ( -5.289 5.289 1.730) 7.677 14.298 ( -0.940 0.940 12.485) 12.556 14.736 ( -2.196 2.196 -9.345) 9.848 14.834 ( -0.856 0.856 -1.835) 2.198 15.384 ( 1.174 -1.174 -7.756) 7.932 15.442 ( 3.599 -3.599 -5.199) 7.276 16.412 ( -19.419 19.419 -2.135) 27.545 16.553 ( -11.752 11.752 6.943) 18.012 17.321 ( -3.129 3.129 0.317) 4.437 17.344 ( -2.663 2.663 1.130) 3.932 17.742 ( -3.912 3.912 -5.325) 7.678 17.751 ( -3.135 3.135 -6.521) 7.885 17.935 ( -3.922 3.922 2.577) 6.117 18.035 ( 1.428 -1.428 6.276) 6.593 18.388 ( -1.475 1.475 1.279) 2.447 18.431 ( -0.968 0.968 -0.294) 1.401 18.460 ( 0.778 -0.778 -0.915) 1.431 18.552 ( 0.758 -0.758 1.999) 2.269 18.691 ( 3.396 -3.396 -3.406) 5.888 18.921 ( 4.437 -4.437 8.158) 10.292 31.600 ( 0.390 -0.390 -3.252) 3.298 31.727 ( 0.199 -0.199 3.031) 3.044 31.897 ( -1.116 1.116 -1.610) 2.254 31.905 ( -1.286 1.286 -1.287) 2.228 50.895 ( 2.769 -2.769 0.816) 3.999 50.913 ( 3.707 -3.707 1.715) 5.516 51.981 ( 1.681 -1.681 -1.786) 2.973 52.062 ( 5.219 -5.219 2.951) 7.949 ======================= Grid point 211 (67/75) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.000 0.000 3.344) 3.344 1.913 ( -0.000 0.000 3.344) 3.344 3.730 ( 0.000 -0.000 -2.140) 2.140 3.730 ( 0.000 -0.000 -2.140) 2.140 3.741 ( 0.000 -0.000 -16.480) 16.480 3.741 ( 0.000 -0.000 -16.480) 16.480 4.098 ( 0.000 -0.000 -60.539) 60.539 4.668 ( 0.000 -0.000 -15.603) 15.603 5.812 ( -0.000 0.000 5.801) 5.801 6.105 ( -0.000 0.000 5.804) 5.804 6.105 ( -0.000 0.000 5.804) 5.804 7.007 ( 0.000 -0.000 -5.483) 5.483 7.115 ( 0.000 -0.000 -1.132) 1.132 7.115 ( 0.000 -0.000 -1.132) 1.132 7.187 ( 0.000 -0.000 -1.981) 1.981 7.408 ( -0.000 0.000 16.757) 16.757 7.428 ( -0.000 0.000 11.226) 11.226 7.803 ( -0.000 0.000 15.553) 15.553 7.803 ( -0.000 0.000 15.553) 15.553 8.256 ( -0.000 0.000 26.448) 26.448 8.995 ( 0.000 -0.000 -10.088) 10.088 8.995 ( 0.000 -0.000 -10.088) 10.088 10.322 ( -0.000 0.000 3.600) 3.600 10.322 ( -0.000 0.000 3.600) 3.600 10.411 ( 0.000 -0.000 -16.995) 16.995 10.570 ( 0.000 -0.000 -7.379) 7.379 10.631 ( 0.000 -0.000 -1.711) 1.711 11.011 ( 0.000 -0.000 -0.061) 0.061 11.234 ( -0.000 0.000 5.214) 5.214 11.234 ( -0.000 0.000 5.214) 5.214 11.509 ( 0.000 -0.000 -22.142) 22.142 11.962 ( 0.000 -0.000 -8.655) 8.655 11.962 ( 0.000 -0.000 -8.655) 8.655 12.202 ( -0.000 0.000 0.515) 0.515 12.210 ( -0.000 0.000 4.250) 4.250 12.577 ( -0.000 0.000 4.472) 4.472 12.577 ( -0.000 0.000 4.472) 4.472 12.835 ( -0.000 0.000 8.347) 8.347 13.068 ( 0.000 -0.000 -3.014) 3.014 13.132 ( -0.000 0.000 15.970) 15.970 13.641 ( 0.000 -0.000 -2.752) 2.752 13.668 ( -0.000 0.000 6.697) 6.697 13.668 ( -0.000 0.000 6.697) 6.697 14.391 ( -0.000 0.000 1.264) 1.264 14.391 ( -0.000 0.000 1.264) 1.264 14.491 ( 0.000 -0.000 -16.943) 16.943 14.619 ( -0.000 0.000 23.934) 23.934 14.848 ( -0.000 0.000 4.558) 4.558 15.157 ( 0.000 -0.000 -12.882) 12.882 15.157 ( 0.000 -0.000 -12.882) 12.882 16.923 ( -0.000 0.000 7.045) 7.045 17.079 ( -0.000 0.000 9.784) 9.784 17.366 ( -0.000 0.000 0.456) 0.456 17.366 ( -0.000 0.000 0.456) 0.456 17.712 ( 0.000 -0.000 -5.209) 5.209 17.712 ( 0.000 -0.000 -5.209) 5.209 18.071 ( -0.000 0.000 0.306) 0.306 18.071 ( -0.000 0.000 0.306) 0.306 18.334 ( 0.000 -0.000 -6.761) 6.761 18.390 ( 0.000 -0.000 -3.053) 3.053 18.540 ( 0.000 -0.000 -1.594) 1.594 18.551 ( -0.000 0.000 4.953) 4.953 18.551 ( -0.000 0.000 4.953) 4.953 18.923 ( -0.000 0.000 6.919) 6.919 31.528 ( 0.000 -0.000 -2.956) 2.956 31.776 ( -0.000 0.000 2.473) 2.473 31.881 ( 0.000 -0.000 -2.541) 2.541 31.897 ( 0.000 -0.000 -2.098) 2.098 50.878 ( -0.000 0.000 2.305) 2.305 50.878 ( -0.000 0.000 2.305) 2.305 51.936 ( 0.000 -0.000 -0.535) 0.535 51.936 ( 0.000 -0.000 -0.535) 0.535 ======================= Grid point 220 (68/75) ======================= q-point: ( 0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 0.000 -22.411 -0.000) 22.411 3.225 ( -0.000 5.140 0.000) 5.140 3.594 ( 0.000 -11.428 -0.000) 11.428 3.687 ( 0.000 -0.281 -0.000) 0.281 4.312 ( -0.000 18.040 0.000) 18.040 4.628 ( -0.000 8.833 0.000) 8.833 4.853 ( -0.000 13.382 0.000) 13.382 4.918 ( -0.000 37.609 0.000) 37.609 5.007 ( 0.000 -11.398 -0.000) 11.398 5.888 ( 0.000 -9.662 -0.000) 9.662 6.148 ( -0.000 6.992 0.000) 6.992 6.223 ( 0.000 -4.296 -0.000) 4.296 7.409 ( 0.000 -10.523 -0.000) 10.523 7.465 ( 0.000 -5.726 -0.000) 5.726 7.907 ( 0.000 -12.746 -0.000) 12.746 8.111 ( 0.000 -33.497 -0.000) 33.497 8.224 ( 0.000 -26.246 -0.000) 26.246 8.302 ( 0.000 -31.081 -0.000) 31.081 8.332 ( 0.000 -9.872 -0.000) 9.872 8.469 ( -0.000 26.831 0.000) 26.831 8.981 ( -0.000 21.588 0.000) 21.588 9.076 ( 0.000 -33.810 -0.000) 33.810 9.685 ( -0.000 17.297 0.000) 17.297 10.009 ( -0.000 10.186 0.000) 10.186 10.369 ( -0.000 35.862 0.000) 35.862 10.395 ( 0.000 -16.747 -0.000) 16.747 10.688 ( -0.000 7.161 0.000) 7.161 10.728 ( -0.000 1.439 0.000) 1.439 10.968 ( 0.000 -15.220 -0.000) 15.220 11.254 ( 0.000 -1.198 -0.000) 1.198 11.281 ( 0.000 -5.421 -0.000) 5.421 12.029 ( -0.000 8.272 0.000) 8.272 12.100 ( -0.000 8.723 0.000) 8.723 12.149 ( -0.000 2.547 0.000) 2.547 12.221 ( -0.000 8.110 0.000) 8.110 12.602 ( -0.000 0.079 0.000) 0.079 12.798 ( 0.000 -0.211 -0.000) 0.211 12.973 ( 0.000 -1.274 -0.000) 1.274 13.037 ( 0.000 -4.119 -0.000) 4.119 13.521 ( 0.000 -19.982 -0.000) 19.982 13.553 ( 0.000 -2.104 -0.000) 2.104 13.878 ( -0.000 8.150 0.000) 8.150 13.898 ( 0.000 -2.956 -0.000) 2.956 14.072 ( 0.000 -4.000 -0.000) 4.000 14.115 ( -0.000 4.448 0.000) 4.448 14.126 ( 0.000 -14.762 -0.000) 14.762 14.558 ( -0.000 8.485 0.000) 8.485 14.808 ( -0.000 13.039 0.000) 13.039 15.423 ( 0.000 -3.159 -0.000) 3.159 15.507 ( 0.000 -2.207 -0.000) 2.207 15.805 ( -0.000 24.388 0.000) 24.388 16.102 ( -0.000 1.663 0.000) 1.663 16.801 ( -0.000 13.230 0.000) 13.230 17.361 ( 0.000 -0.152 -0.000) 0.152 17.592 ( -0.000 4.500 0.000) 4.500 17.820 ( -0.000 4.305 0.000) 4.305 17.964 ( 0.000 -0.877 -0.000) 0.877 18.143 ( 0.000 -8.756 -0.000) 8.756 18.289 ( -0.000 3.710 0.000) 3.710 18.455 ( 0.000 -1.059 -0.000) 1.059 18.475 ( -0.000 1.623 0.000) 1.623 18.569 ( 0.000 -3.608 -0.000) 3.608 18.769 ( -0.000 2.357 0.000) 2.357 18.788 ( 0.000 -2.388 -0.000) 2.388 31.626 ( -0.000 3.247 0.000) 3.247 31.679 ( 0.000 -0.881 -0.000) 0.881 31.846 ( -0.000 0.033 0.000) 0.033 32.000 ( 0.000 -2.528 -0.000) 2.528 50.980 ( 0.000 -3.150 -0.000) 3.150 51.157 ( 0.000 -10.269 -0.000) 10.269 51.636 ( -0.000 9.438 0.000) 9.438 52.664 ( 0.000 -16.688 -0.000) 16.688 ======================= Grid point 221 (69/75) ======================= q-point: ( 0.31 0.69 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 36.271 -16.871 0.000) 40.003 3.002 ( -1.795 -26.686 -0.000) 26.747 3.426 ( 3.868 0.136 0.000) 3.871 3.569 ( -10.278 1.153 -0.000) 10.342 4.490 ( -9.920 13.760 -0.000) 16.963 4.578 ( -15.231 10.784 -0.000) 18.662 5.043 ( 6.851 6.352 0.000) 9.342 5.404 ( -12.060 -12.475 -0.000) 17.351 5.539 ( 37.447 9.620 0.000) 38.663 5.967 ( 33.974 19.390 0.000) 39.118 6.339 ( 3.169 -14.335 -0.000) 14.681 6.466 ( 3.972 17.095 0.000) 17.551 6.998 ( -10.252 -5.094 -0.000) 11.448 7.269 ( -11.931 -42.724 -0.000) 44.358 7.342 ( 12.560 -24.128 0.000) 27.201 7.605 ( -1.881 -22.452 -0.000) 22.531 7.796 ( 16.797 -9.395 0.000) 19.246 7.971 ( 8.365 -18.788 -0.000) 20.566 8.236 ( 14.668 -11.761 0.000) 18.801 8.503 ( 5.811 -30.080 -0.000) 30.636 8.978 ( 8.718 14.841 0.000) 17.213 9.226 ( -6.076 7.084 -0.000) 9.332 9.883 ( -12.423 18.050 -0.000) 21.912 10.051 ( -9.110 -6.334 -0.000) 11.095 10.258 ( -1.412 16.162 0.000) 16.224 10.530 ( -14.908 1.979 -0.000) 15.038 10.763 ( 2.354 2.758 0.000) 3.626 10.808 ( 1.917 -4.781 -0.000) 5.151 10.992 ( 4.637 7.475 0.000) 8.796 11.158 ( -2.643 -4.689 -0.000) 5.383 11.544 ( 7.294 24.491 0.000) 25.554 12.116 ( -19.841 -0.391 -0.000) 19.845 12.133 ( -2.571 5.321 0.000) 5.909 12.164 ( -3.307 2.829 -0.000) 4.352 12.335 ( 7.693 6.854 0.000) 10.303 12.592 ( -2.489 -6.058 -0.000) 6.549 12.751 ( 6.364 -2.872 0.000) 6.982 12.900 ( -0.864 -8.342 -0.000) 8.387 13.047 ( 11.383 -4.639 0.000) 12.292 13.196 ( 6.620 -17.421 -0.000) 18.636 13.562 ( 4.500 0.053 0.000) 4.500 13.764 ( -3.559 -11.345 -0.000) 11.891 13.942 ( 5.651 -4.868 0.000) 7.459 13.992 ( 1.259 -4.244 -0.000) 4.427 14.038 ( -1.103 8.343 0.000) 8.415 14.146 ( -6.872 4.497 -0.000) 8.212 14.732 ( -0.036 7.995 0.000) 7.995 14.851 ( -4.618 0.271 -0.000) 4.626 15.492 ( -0.594 4.610 0.000) 4.648 15.497 ( 2.491 -1.308 0.000) 2.814 16.124 ( -12.627 20.182 -0.000) 23.806 16.135 ( -10.118 12.873 -0.000) 16.374 17.106 ( -0.182 16.404 0.000) 16.405 17.318 ( -5.654 0.374 -0.000) 5.666 17.679 ( -2.111 6.813 0.000) 7.132 17.791 ( -9.058 2.962 -0.000) 9.530 17.909 ( -2.011 0.387 -0.000) 2.048 17.971 ( -1.390 -6.270 -0.000) 6.422 18.370 ( 2.789 0.899 0.000) 2.931 18.435 ( -0.912 -2.324 -0.000) 2.496 18.499 ( -0.388 0.234 -0.000) 0.453 18.502 ( -0.516 1.163 0.000) 1.272 18.814 ( 4.924 -1.908 0.000) 5.281 18.833 ( 0.640 1.284 0.000) 1.435 31.664 ( -0.161 0.926 0.000) 0.939 31.669 ( 0.161 -0.350 -0.000) 0.386 31.865 ( -0.094 2.243 0.000) 2.245 31.927 ( -2.755 -1.355 -0.000) 3.070 50.950 ( 4.032 -3.523 0.000) 5.354 51.007 ( 2.443 -7.890 -0.000) 8.260 51.896 ( 9.813 7.992 0.000) 12.656 52.285 ( -5.358 -16.330 -0.000) 17.187 ======================= Grid point 238 (70/75) ======================= q-point: (-0.46 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -0.000 -13.952 12.343) 18.628 2.212 ( 0.000 -42.807 7.764) 43.505 3.592 ( -0.000 8.001 2.589) 8.409 3.675 ( -0.000 1.372 -0.062) 1.373 4.335 ( 0.000 -4.491 -29.453) 29.793 4.341 ( 0.000 -5.339 -32.783) 33.215 4.975 ( 0.000 6.277 -23.867) 24.678 5.088 ( 0.000 6.521 -6.295) 9.064 5.827 ( -0.000 6.056 12.874) 14.227 5.877 ( 0.000 -13.864 -1.301) 13.925 6.100 ( 0.000 -21.701 -0.675) 21.712 6.747 ( -0.000 21.204 3.416) 21.477 6.993 ( -0.000 2.932 9.408) 9.854 7.034 ( -0.000 7.655 17.133) 18.765 7.264 ( 0.000 -4.539 -1.534) 4.791 7.389 ( 0.000 -16.111 1.969) 16.231 7.395 ( -0.000 -4.034 2.540) 4.767 7.442 ( 0.000 -10.728 1.746) 10.869 7.777 ( 0.000 -16.624 2.580) 16.823 8.123 ( -0.000 -27.574 20.911) 34.606 9.074 ( -0.000 6.425 -3.374) 7.257 9.178 ( 0.000 -3.708 -6.545) 7.523 10.189 ( -0.000 10.074 -2.280) 10.329 10.236 ( -0.000 7.908 -1.440) 8.038 10.580 ( -0.000 12.853 -7.644) 14.955 10.661 ( 0.000 -2.113 -1.004) 2.340 10.701 ( 0.000 -4.203 0.655) 4.253 10.863 ( -0.000 7.657 1.376) 7.779 11.090 ( -0.000 2.253 6.245) 6.639 11.162 ( -0.000 -3.474 4.925) 6.027 11.922 ( -0.000 19.702 -4.748) 20.266 12.103 ( 0.000 -3.991 -23.743) 24.076 12.167 ( 0.000 1.997 -3.861) 4.347 12.204 ( 0.000 2.196 -4.655) 5.147 12.257 ( 0.000 -6.278 -6.870) 9.306 12.467 ( -0.000 2.330 2.186) 3.195 12.661 ( 0.000 -14.901 2.681) 15.140 12.757 ( 0.000 -5.113 2.165) 5.552 12.764 ( -0.000 -2.291 15.959) 16.123 13.072 ( -0.000 -2.593 6.436) 6.939 13.544 ( -0.000 0.764 3.289) 3.376 13.640 ( 0.000 -8.263 4.150) 9.247 13.740 ( 0.000 -3.260 -2.997) 4.429 14.138 ( -0.000 1.499 16.407) 16.476 14.259 ( -0.000 9.525 0.714) 9.552 14.360 ( -0.000 0.194 6.237) 6.240 14.748 ( 0.000 2.657 -9.501) 9.865 14.849 ( 0.000 -0.078 -2.766) 2.767 15.361 ( 0.000 -1.312 -6.590) 6.719 15.406 ( 0.000 -4.445 -6.502) 7.876 16.618 ( -0.000 23.280 1.879) 23.355 16.676 ( -0.000 13.007 5.504) 14.124 17.341 ( -0.000 5.067 1.093) 5.183 17.359 ( -0.000 -0.105 0.305) 0.323 17.755 ( 0.000 6.130 -6.054) 8.615 17.822 ( 0.000 0.602 -6.209) 6.238 17.991 ( -0.000 0.977 4.742) 4.842 18.034 ( -0.000 0.564 3.325) 3.373 18.394 ( -0.000 3.236 0.827) 3.340 18.445 ( 0.000 -0.049 -1.755) 1.756 18.483 ( -0.000 -1.365 2.627) 2.960 18.506 ( 0.000 -0.830 -0.813) 1.162 18.646 ( 0.000 -3.940 -2.061) 4.447 18.862 ( -0.000 -6.132 7.120) 9.396 31.595 ( 0.000 -0.484 -3.297) 3.332 31.724 ( -0.000 -0.251 3.037) 3.048 31.903 ( 0.000 2.183 -1.455) 2.624 31.926 ( 0.000 0.050 -1.464) 1.465 50.864 ( 0.000 -2.374 1.312) 2.712 50.880 ( 0.000 -4.153 1.363) 4.371 51.905 ( -0.000 4.083 -0.361) 4.099 52.066 ( 0.000 -12.002 0.777) 12.027 ======================= Grid point 266 (71/75) ======================= q-point: ( 0.38 0.62 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 0.000 -21.263 -0.000) 21.263 3.030 ( 0.000 -42.682 -0.000) 42.682 3.379 ( -0.000 10.120 0.000) 10.120 3.687 ( 0.000 -0.159 -0.000) 0.159 4.707 ( -0.000 20.387 0.000) 20.387 4.777 ( -0.000 5.547 0.000) 5.547 4.818 ( 0.000 -8.213 -0.000) 8.213 5.184 ( -0.000 20.590 0.000) 20.590 5.478 ( -0.000 18.023 0.000) 18.023 5.641 ( 0.000 -15.474 -0.000) 15.474 6.283 ( -0.000 13.594 0.000) 13.594 6.431 ( -0.000 20.393 0.000) 20.393 7.063 ( 0.000 -29.713 -0.000) 29.713 7.369 ( 0.000 -4.254 -0.000) 4.254 7.381 ( 0.000 -41.808 -0.000) 41.808 7.524 ( 0.000 -17.562 -0.000) 17.562 7.733 ( 0.000 -24.261 -0.000) 24.261 7.795 ( 0.000 -18.350 -0.000) 18.350 8.094 ( 0.000 -15.109 -0.000) 15.109 8.444 ( 0.000 -31.964 -0.000) 31.964 8.883 ( -0.000 16.359 0.000) 16.359 9.284 ( -0.000 6.627 0.000) 6.627 10.028 ( -0.000 16.281 0.000) 16.281 10.133 ( 0.000 -5.304 -0.000) 5.304 10.277 ( -0.000 17.655 0.000) 17.655 10.681 ( -0.000 1.337 0.000) 1.337 10.779 ( -0.000 3.722 0.000) 3.722 10.786 ( 0.000 -5.969 -0.000) 5.969 10.919 ( -0.000 10.362 0.000) 10.362 11.185 ( 0.000 -4.574 -0.000) 4.574 11.453 ( -0.000 23.842 0.000) 23.842 12.164 ( -0.000 5.847 0.000) 5.847 12.198 ( -0.000 2.579 0.000) 2.579 12.244 ( -0.000 6.285 0.000) 6.285 12.330 ( -0.000 3.158 0.000) 3.158 12.595 ( 0.000 -0.955 -0.000) 0.955 12.703 ( 0.000 -9.157 -0.000) 9.157 12.923 ( 0.000 -6.751 -0.000) 6.751 12.931 ( 0.000 -3.351 -0.000) 3.351 13.107 ( 0.000 -23.075 -0.000) 23.075 13.520 ( 0.000 -1.214 -0.000) 1.214 13.827 ( 0.000 -14.853 -0.000) 14.853 13.854 ( 0.000 -1.649 -0.000) 1.649 13.980 ( 0.000 -5.481 -0.000) 5.481 14.051 ( -0.000 10.250 0.000) 10.250 14.220 ( -0.000 5.889 0.000) 5.889 14.731 ( -0.000 7.972 0.000) 7.972 14.895 ( 0.000 -0.152 -0.000) 0.152 15.463 ( 0.000 -2.291 -0.000) 2.291 15.497 ( -0.000 3.748 0.000) 3.748 16.238 ( -0.000 14.630 0.000) 14.630 16.255 ( -0.000 22.133 0.000) 22.133 17.109 ( -0.000 16.508 0.000) 16.508 17.358 ( 0.000 -0.134 -0.000) 0.134 17.698 ( -0.000 6.568 0.000) 6.568 17.896 ( -0.000 3.465 0.000) 3.465 17.948 ( 0.000 -0.742 -0.000) 0.742 17.985 ( 0.000 -6.956 -0.000) 6.956 18.338 ( -0.000 1.938 0.000) 1.938 18.454 ( -0.000 0.654 0.000) 0.654 18.504 ( 0.000 -3.069 -0.000) 3.069 18.507 ( -0.000 1.335 0.000) 1.335 18.737 ( 0.000 -2.895 -0.000) 2.895 18.827 ( -0.000 1.407 0.000) 1.407 31.665 ( -0.000 0.716 0.000) 0.716 31.666 ( 0.000 -0.518 -0.000) 0.518 31.868 ( -0.000 2.310 0.000) 2.310 31.956 ( 0.000 -1.647 -0.000) 1.647 50.912 ( 0.000 -3.683 -0.000) 3.683 50.982 ( 0.000 -7.812 -0.000) 7.812 51.798 ( -0.000 7.382 0.000) 7.382 52.337 ( 0.000 -16.871 -0.000) 16.871 ======================= Grid point 268 (72/75) ======================= q-point: ( 0.38 0.62 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 11.364 -42.276 -0.000) 43.777 2.225 ( 42.276 -11.364 0.000) 43.777 3.576 ( -8.915 -0.472 -0.000) 8.927 3.576 ( 0.472 8.915 0.000) 8.927 4.711 ( -5.903 4.002 0.000) 7.132 4.711 ( -4.002 5.903 0.000) 7.132 5.173 ( -3.112 -4.198 0.000) 5.226 5.173 ( 4.198 3.112 0.000) 5.226 5.747 ( -0.857 -16.370 0.000) 16.392 5.747 ( 16.370 0.857 0.000) 16.392 6.502 ( -9.308 -13.161 -0.000) 16.119 6.502 ( 13.161 9.308 0.000) 16.119 6.931 ( -17.120 -2.255 -0.000) 17.268 6.931 ( 2.255 17.120 0.000) 17.268 7.128 ( 0.341 -20.875 -0.000) 20.878 7.128 ( 20.875 -0.341 0.000) 20.878 7.655 ( 9.040 -14.883 0.000) 17.414 7.655 ( 14.883 -9.040 0.000) 17.414 7.997 ( 13.893 -19.345 0.000) 23.817 7.997 ( 19.345 -13.893 0.000) 23.817 9.180 ( -6.588 -6.754 -0.000) 9.435 9.180 ( 6.754 6.588 0.000) 9.435 10.141 ( -9.666 9.339 -0.000) 13.440 10.141 ( -9.339 9.666 -0.000) 13.440 10.587 ( -14.724 4.348 -0.000) 15.353 10.587 ( -4.348 14.724 0.000) 15.353 10.746 ( 1.246 -2.082 0.000) 2.426 10.746 ( 2.082 -1.246 0.000) 2.426 11.079 ( -2.505 -3.443 -0.000) 4.258 11.079 ( 3.443 2.505 0.000) 4.258 12.047 ( -23.665 -5.462 -0.000) 24.287 12.047 ( 5.462 23.665 0.000) 24.287 12.216 ( -2.811 2.780 0.000) 3.954 12.216 ( -2.780 2.811 0.000) 3.954 12.441 ( -1.733 -5.447 0.000) 5.716 12.441 ( 5.447 1.733 0.000) 5.716 12.709 ( 5.111 -8.100 0.000) 9.577 12.709 ( 8.100 -5.111 0.000) 9.577 12.925 ( 8.391 -8.485 0.000) 11.933 12.925 ( 8.485 -8.391 0.000) 11.933 13.578 ( -1.249 -6.935 -0.000) 7.047 13.578 ( 6.935 1.249 0.000) 7.047 13.890 ( 2.882 -3.600 0.000) 4.612 13.890 ( 3.600 -2.882 0.000) 4.612 14.221 ( -8.823 2.982 -0.000) 9.313 14.221 ( -2.982 8.823 0.000) 9.313 14.848 ( -3.588 0.302 -0.000) 3.601 14.848 ( -0.302 3.588 0.000) 3.601 15.477 ( 1.186 -3.494 0.000) 3.690 15.477 ( 3.494 -1.186 0.000) 3.690 16.453 ( -15.157 14.167 -0.000) 20.748 16.453 ( -14.167 15.157 -0.000) 20.748 17.325 ( -5.278 0.490 -0.000) 5.301 17.325 ( -0.490 5.278 0.000) 5.301 17.833 ( -8.355 2.066 -0.000) 8.606 17.833 ( -2.066 8.355 0.000) 8.606 17.914 ( -0.344 0.334 0.000) 0.480 17.914 ( -0.334 0.344 0.000) 0.480 18.395 ( -1.610 -1.245 -0.000) 2.035 18.395 ( 1.245 1.610 0.000) 2.035 18.511 ( -0.253 0.010 0.000) 0.253 18.511 ( -0.010 0.253 0.000) 0.253 18.782 ( 2.794 -4.864 0.000) 5.609 18.782 ( 4.864 -2.794 0.000) 5.609 31.664 ( 0.268 -0.281 0.000) 0.388 31.664 ( 0.281 -0.268 0.000) 0.388 31.916 ( -2.427 0.043 -0.000) 2.427 31.916 ( -0.043 2.427 0.000) 2.427 50.891 ( 2.538 -4.086 0.000) 4.810 50.891 ( 4.086 -2.538 0.000) 4.810 52.017 ( -4.200 -10.547 -0.000) 11.352 52.017 ( 10.547 4.200 0.000) 11.352 ======================= Grid point 285 (73/75) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.000 0.000 11.945) 11.945 1.713 ( -0.000 0.000 11.945) 11.945 3.674 ( -0.000 0.000 2.423) 2.423 3.674 ( -0.000 0.000 2.423) 2.423 4.293 ( 0.000 -0.000 -29.617) 29.617 4.293 ( 0.000 -0.000 -29.617) 29.617 4.999 ( 0.000 -0.000 -16.971) 16.971 5.129 ( 0.000 -0.000 -37.254) 37.254 5.778 ( 0.000 -0.000 -8.613) 8.613 5.873 ( -0.000 0.000 16.442) 16.442 5.873 ( -0.000 0.000 16.442) 16.442 7.023 ( -0.000 0.000 24.363) 24.363 7.110 ( 0.000 -0.000 -4.689) 4.689 7.148 ( 0.000 -0.000 -1.626) 1.626 7.148 ( 0.000 -0.000 -1.626) 1.626 7.208 ( -0.000 0.000 0.001) 0.001 7.274 ( -0.000 0.000 3.369) 3.369 7.561 ( -0.000 0.000 8.365) 8.365 7.561 ( -0.000 0.000 8.365) 8.365 7.703 ( -0.000 0.000 26.747) 26.747 9.134 ( 0.000 -0.000 -3.992) 3.992 9.134 ( 0.000 -0.000 -3.992) 3.992 10.311 ( 0.000 -0.000 -1.899) 1.899 10.311 ( 0.000 -0.000 -1.899) 1.899 10.639 ( 0.000 -0.000 -1.110) 1.110 10.650 ( 0.000 -0.000 -0.270) 0.270 10.703 ( 0.000 -0.000 -12.411) 12.411 10.987 ( -0.000 0.000 2.692) 2.692 11.111 ( -0.000 0.000 5.983) 5.983 11.111 ( -0.000 0.000 5.983) 5.983 12.030 ( 0.000 -0.000 -27.013) 27.013 12.152 ( 0.000 -0.000 -9.536) 9.536 12.152 ( 0.000 -0.000 -9.536) 9.536 12.211 ( 0.000 -0.000 -4.651) 4.651 12.241 ( 0.000 -0.000 -4.059) 4.059 12.491 ( -0.000 0.000 4.585) 4.585 12.491 ( -0.000 0.000 4.585) 4.585 12.684 ( -0.000 0.000 5.410) 5.410 12.756 ( -0.000 0.000 20.347) 20.347 13.047 ( -0.000 0.000 6.519) 6.519 13.556 ( -0.000 0.000 4.321) 4.321 13.556 ( -0.000 0.000 4.321) 4.321 13.702 ( 0.000 -0.000 -3.874) 3.874 14.149 ( -0.000 0.000 22.009) 22.009 14.366 ( -0.000 0.000 1.088) 1.088 14.366 ( -0.000 0.000 1.088) 1.088 14.765 ( 0.000 -0.000 -10.428) 10.428 14.854 ( 0.000 -0.000 -3.025) 3.025 15.348 ( 0.000 -0.000 -6.458) 6.458 15.348 ( 0.000 -0.000 -6.458) 6.458 16.801 ( -0.000 0.000 4.542) 4.542 16.890 ( -0.000 0.000 8.583) 8.583 17.358 ( -0.000 0.000 0.288) 0.288 17.358 ( -0.000 0.000 0.288) 0.288 17.827 ( 0.000 -0.000 -6.235) 6.235 17.827 ( 0.000 -0.000 -6.235) 6.235 18.039 ( -0.000 0.000 3.075) 3.075 18.039 ( -0.000 0.000 3.075) 3.075 18.440 ( 0.000 -0.000 -3.795) 3.795 18.449 ( 0.000 -0.000 -2.594) 2.594 18.470 ( -0.000 0.000 2.986) 2.986 18.470 ( -0.000 0.000 2.986) 2.986 18.582 ( 0.000 -0.000 -2.894) 2.894 18.784 ( -0.000 0.000 6.967) 6.967 31.590 ( 0.000 -0.000 -3.352) 3.352 31.721 ( -0.000 0.000 3.069) 3.069 31.924 ( 0.000 -0.000 -1.669) 1.669 31.932 ( 0.000 -0.000 -1.276) 1.276 50.840 ( -0.000 0.000 1.419) 1.419 50.840 ( -0.000 0.000 1.419) 1.419 51.944 ( 0.000 -0.000 -0.335) 0.335 51.944 ( 0.000 -0.000 -0.335) 0.335 ======================= Grid point 316 (74/75) ======================= q-point: ( 0.44 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 0.000 -13.863 -0.000) 13.863 2.127 ( 0.000 -46.891 -0.000) 46.891 3.565 ( -0.000 8.134 0.000) 8.134 3.671 ( 0.000 -1.504 -0.000) 1.504 4.702 ( 0.000 -3.882 -0.000) 3.882 4.775 ( 0.000 -6.502 -0.000) 6.502 5.062 ( -0.000 16.974 0.000) 16.974 5.365 ( 0.000 -10.176 -0.000) 10.176 5.556 ( -0.000 14.531 0.000) 14.531 5.626 ( -0.000 1.576 0.000) 1.576 6.545 ( 0.000 -18.407 -0.000) 18.407 6.606 ( 0.000 -24.527 -0.000) 24.527 6.712 ( -0.000 27.041 0.000) 27.041 6.906 ( -0.000 19.075 0.000) 19.075 7.303 ( 0.000 -2.983 -0.000) 2.983 7.341 ( 0.000 -15.687 -0.000) 15.687 7.363 ( 0.000 -3.637 -0.000) 3.637 7.445 ( 0.000 -18.135 -0.000) 18.135 7.761 ( 0.000 -19.391 -0.000) 19.391 7.883 ( 0.000 -26.596 -0.000) 26.596 9.103 ( -0.000 7.150 0.000) 7.150 9.242 ( 0.000 -6.356 -0.000) 6.356 10.221 ( -0.000 9.832 0.000) 9.832 10.264 ( -0.000 8.281 0.000) 8.281 10.648 ( -0.000 19.509 0.000) 19.509 10.666 ( 0.000 -1.532 -0.000) 1.532 10.696 ( 0.000 -3.893 -0.000) 3.893 10.855 ( -0.000 3.658 0.000) 3.658 11.019 ( -0.000 2.611 0.000) 2.611 11.107 ( 0.000 -3.781 -0.000) 3.781 11.964 ( -0.000 25.504 0.000) 25.504 12.246 ( -0.000 2.422 0.000) 2.422 12.249 ( -0.000 3.045 0.000) 3.045 12.339 ( -0.000 3.740 0.000) 3.740 12.341 ( 0.000 -1.451 -0.000) 1.451 12.508 ( 0.000 -9.516 -0.000) 9.516 12.552 ( 0.000 -4.342 -0.000) 4.342 12.673 ( 0.000 -20.746 -0.000) 20.746 12.820 ( 0.000 -3.452 -0.000) 3.452 12.847 ( 0.000 -4.889 -0.000) 4.889 13.509 ( -0.000 0.011 0.000) 0.011 13.597 ( 0.000 -8.726 -0.000) 8.726 13.833 ( 0.000 -0.671 -0.000) 0.671 13.877 ( 0.000 -4.699 -0.000) 4.699 14.250 ( -0.000 9.525 0.000) 9.525 14.317 ( -0.000 3.788 0.000) 3.788 14.845 ( -0.000 4.021 0.000) 4.021 14.887 ( 0.000 -0.322 -0.000) 0.322 15.426 ( 0.000 -1.448 -0.000) 1.448 15.470 ( 0.000 -4.547 -0.000) 4.547 16.590 ( -0.000 17.721 0.000) 17.721 16.618 ( -0.000 15.021 0.000) 15.021 17.330 ( -0.000 5.217 0.000) 5.217 17.356 ( 0.000 -0.084 -0.000) 0.084 17.847 ( -0.000 8.960 0.000) 8.960 17.915 ( 0.000 -0.020 -0.000) 0.020 17.936 ( 0.000 -0.438 -0.000) 0.438 17.948 ( -0.000 1.906 0.000) 1.906 18.377 ( -0.000 2.510 0.000) 2.510 18.457 ( 0.000 -1.752 -0.000) 1.752 18.469 ( -0.000 0.768 0.000) 0.768 18.518 ( 0.000 -0.376 -0.000) 0.376 18.685 ( 0.000 -2.265 -0.000) 2.265 18.770 ( 0.000 -7.181 -0.000) 7.181 31.659 ( 0.000 -0.207 -0.000) 0.207 31.663 ( 0.000 -0.502 -0.000) 0.502 31.918 ( -0.000 2.381 0.000) 2.381 31.941 ( 0.000 -0.073 -0.000) 0.073 50.851 ( 0.000 -2.489 -0.000) 2.489 50.866 ( 0.000 -4.211 -0.000) 4.211 51.909 ( -0.000 4.057 0.000) 4.057 52.060 ( 0.000 -11.157 -0.000) 11.157 ======================= Grid point 364 (75/75) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 -0.000 0.000) 0.000 1.578 ( 0.000 -0.000 0.000) 0.000 3.649 ( -0.000 0.000 0.000) 0.000 3.649 ( -0.000 0.000 0.000) 0.000 4.666 ( 0.000 -0.000 0.000) 0.000 4.666 ( 0.000 -0.000 0.000) 0.000 5.283 ( -0.000 0.000 0.000) 0.000 5.283 ( -0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 6.381 ( -0.000 0.000 0.000) 0.000 6.381 ( -0.000 0.000 0.000) 0.000 7.165 ( 0.000 -0.000 0.000) 0.000 7.165 ( -0.000 0.000 0.000) 0.000 7.183 ( -0.000 0.000 0.000) 0.000 7.183 ( -0.000 0.000 0.000) 0.000 7.332 ( -0.000 0.000 0.000) 0.000 7.332 ( -0.000 0.000 0.000) 0.000 7.480 ( 0.000 -0.000 0.000) 0.000 7.480 ( 0.000 -0.000 0.000) 0.000 9.169 ( 0.000 -0.000 0.000) 0.000 9.169 ( 0.000 -0.000 0.000) 0.000 10.343 ( -0.000 0.000 0.000) 0.000 10.343 ( -0.000 0.000 0.000) 0.000 10.649 ( 0.000 -0.000 0.000) 0.000 10.649 ( -0.000 0.000 0.000) 0.000 10.894 ( -0.000 0.000 0.000) 0.000 10.894 ( -0.000 0.000 0.000) 0.000 11.044 ( -0.000 0.000 0.000) 0.000 11.044 ( -0.000 0.000 0.000) 0.000 12.279 ( -0.000 0.000 0.000) 0.000 12.279 ( -0.000 0.000 0.000) 0.000 12.317 ( -0.000 0.000 0.000) 0.000 12.317 ( 0.000 0.000 0.000) 0.000 12.401 ( -0.000 0.000 0.000) 0.000 12.401 ( -0.000 0.000 0.000) 0.000 12.418 ( 0.000 -0.000 0.000) 0.000 12.418 ( 0.000 -0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 -0.000 0.000) 0.000 13.511 ( 0.000 -0.000 0.000) 0.000 13.511 ( 0.000 -0.000 0.000) 0.000 13.827 ( 0.000 -0.000 0.000) 0.000 13.827 ( 0.000 -0.000 0.000) 0.000 14.354 ( -0.000 0.000 0.000) 0.000 14.354 ( -0.000 0.000 0.000) 0.000 14.884 ( 0.000 -0.000 0.000) 0.000 14.884 ( 0.000 -0.000 0.000) 0.000 15.411 ( -0.000 0.000 0.000) 0.000 15.411 ( 0.000 0.000 0.000) 0.000 16.775 ( 0.000 0.000 0.000) 0.000 16.775 ( -0.000 0.000 0.000) 0.000 17.356 ( 0.000 -0.000 0.000) 0.000 17.356 ( 0.000 -0.000 0.000) 0.000 17.932 ( 0.000 -0.000 0.000) 0.000 17.932 ( 0.000 -0.000 0.000) 0.000 17.966 ( 0.000 -0.000 0.000) 0.000 17.966 ( 0.000 -0.000 0.000) 0.000 18.440 ( 0.000 -0.000 0.000) 0.000 18.440 ( 0.000 -0.000 0.000) 0.000 18.478 ( -0.000 0.000 0.000) 0.000 18.478 ( -0.000 0.000 0.000) 0.000 18.661 ( -0.000 0.000 0.000) 0.000 18.661 ( -0.000 0.000 0.000) 0.000 31.657 ( -0.000 0.000 0.000) 0.000 31.657 ( -0.000 0.000 0.000) 0.000 31.943 ( 0.000 0.000 0.000) 0.000 31.943 ( -0.000 0.000 0.000) 0.000 50.826 ( 0.000 -0.000 0.000) 0.000 50.826 ( 0.000 -0.000 0.000) 0.000 51.948 ( 0.000 -0.000 0.000) 0.000 51.948 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/46080 10.0 793.196 793.196 1217.691 0.000 -0.000 0.000 3/46080 20.0 129.698 129.698 62.341 0.000 -0.000 0.000 3/46080 30.0 47.604 47.604 20.119 0.000 -0.000 0.000 3/46080 40.0 28.203 28.203 11.490 0.000 -0.000 0.000 3/46080 50.0 19.145 19.145 7.770 0.000 -0.000 0.000 3/46080 60.0 14.132 14.132 5.757 0.000 -0.000 0.000 3/46080 70.0 11.094 11.094 4.537 0.000 -0.000 0.000 3/46080 80.0 9.109 9.109 3.736 0.000 -0.000 0.000 3/46080 90.0 7.728 7.728 3.178 0.000 -0.000 0.000 3/46080 100.0 6.719 6.719 2.769 0.000 -0.000 0.000 3/46080 110.0 5.950 5.950 2.459 0.000 -0.000 0.000 3/46080 120.0 5.346 5.346 2.216 0.000 -0.000 0.000 3/46080 130.0 4.858 4.858 2.021 0.000 -0.000 0.000 3/46080 140.0 4.456 4.456 1.861 0.000 -0.000 0.000 3/46080 150.0 4.119 4.119 1.727 0.000 -0.000 0.000 3/46080 160.0 3.832 3.832 1.614 0.000 -0.000 0.000 3/46080 170.0 3.585 3.585 1.517 0.000 -0.000 0.000 3/46080 180.0 3.370 3.370 1.432 0.000 -0.000 0.000 3/46080 190.0 3.180 3.180 1.357 0.000 -0.000 0.000 3/46080 200.0 3.012 3.012 1.291 0.000 -0.000 0.000 3/46080 210.0 2.862 2.862 1.232 0.000 -0.000 0.000 3/46080 220.0 2.727 2.727 1.178 0.000 -0.000 0.000 3/46080 230.0 2.605 2.605 1.129 0.000 -0.000 0.000 3/46080 240.0 2.494 2.494 1.085 0.000 -0.000 0.000 3/46080 250.0 2.392 2.392 1.044 0.000 -0.000 0.000 3/46080 260.0 2.299 2.299 1.006 0.000 -0.000 0.000 3/46080 270.0 2.213 2.213 0.972 0.000 -0.000 0.000 3/46080 280.0 2.133 2.133 0.939 0.000 -0.000 0.000 3/46080 290.0 2.060 2.060 0.909 0.000 -0.000 0.000 3/46080 300.0 1.991 1.991 0.881 0.000 -0.000 0.000 3/46080 310.0 1.927 1.927 0.854 0.000 -0.000 0.000 3/46080 320.0 1.867 1.867 0.830 0.000 -0.000 0.000 3/46080 330.0 1.811 1.811 0.806 0.000 -0.000 0.000 3/46080 340.0 1.758 1.758 0.784 0.000 -0.000 0.000 3/46080 350.0 1.709 1.709 0.763 0.000 -0.000 0.000 3/46080 360.0 1.662 1.662 0.744 0.000 -0.000 0.000 3/46080 370.0 1.618 1.618 0.725 0.000 -0.000 0.000 3/46080 380.0 1.576 1.576 0.707 0.000 -0.000 0.000 3/46080 390.0 1.536 1.536 0.690 0.000 -0.000 0.000 3/46080 400.0 1.498 1.498 0.674 0.000 -0.000 0.000 3/46080 410.0 1.463 1.463 0.659 0.000 -0.000 0.000 3/46080 420.0 1.428 1.428 0.644 0.000 -0.000 0.000 3/46080 430.0 1.396 1.396 0.631 0.000 -0.000 0.000 3/46080 440.0 1.365 1.365 0.617 0.000 -0.000 0.000 3/46080 450.0 1.335 1.335 0.604 0.000 -0.000 0.000 3/46080 460.0 1.307 1.307 0.592 0.000 -0.000 0.000 3/46080 470.0 1.280 1.280 0.580 0.000 -0.000 0.000 3/46080 480.0 1.254 1.254 0.569 0.000 -0.000 0.000 3/46080 490.0 1.229 1.229 0.558 0.000 -0.000 0.000 3/46080 500.0 1.205 1.205 0.548 0.000 -0.000 0.000 3/46080 510.0 1.182 1.182 0.538 0.000 -0.000 0.000 3/46080 520.0 1.160 1.160 0.528 0.000 -0.000 0.000 3/46080 530.0 1.139 1.139 0.519 0.000 -0.000 0.000 3/46080 540.0 1.118 1.118 0.510 0.000 -0.000 0.000 3/46080 550.0 1.099 1.099 0.501 0.000 -0.000 0.000 3/46080 560.0 1.080 1.080 0.493 0.000 -0.000 0.000 3/46080 570.0 1.061 1.061 0.485 0.000 -0.000 0.000 3/46080 580.0 1.044 1.044 0.477 0.000 -0.000 0.000 3/46080 590.0 1.026 1.026 0.470 0.000 -0.000 0.000 3/46080 600.0 1.010 1.010 0.462 0.000 -0.000 0.000 3/46080 610.0 0.994 0.994 0.455 0.000 -0.000 0.000 3/46080 620.0 0.978 0.978 0.448 0.000 -0.000 0.000 3/46080 630.0 0.963 0.963 0.442 0.000 -0.000 0.000 3/46080 640.0 0.949 0.949 0.435 0.000 -0.000 0.000 3/46080 650.0 0.935 0.935 0.429 0.000 -0.000 0.000 3/46080 660.0 0.921 0.921 0.423 0.000 -0.000 0.000 3/46080 670.0 0.908 0.908 0.417 0.000 -0.000 0.000 3/46080 680.0 0.895 0.895 0.411 0.000 -0.000 0.000 3/46080 690.0 0.883 0.883 0.406 0.000 -0.000 0.000 3/46080 700.0 0.871 0.871 0.400 0.000 -0.000 0.000 3/46080 710.0 0.859 0.859 0.395 0.000 -0.000 0.000 3/46080 720.0 0.847 0.847 0.390 0.000 -0.000 0.000 3/46080 730.0 0.836 0.836 0.385 0.000 -0.000 0.000 3/46080 740.0 0.825 0.825 0.380 0.000 -0.000 0.000 3/46080 750.0 0.815 0.815 0.375 0.000 -0.000 0.000 3/46080 760.0 0.805 0.805 0.371 0.000 -0.000 0.000 3/46080 770.0 0.795 0.795 0.366 0.000 -0.000 0.000 3/46080 780.0 0.785 0.785 0.362 0.000 -0.000 0.000 3/46080 790.0 0.775 0.775 0.358 0.000 -0.000 0.000 3/46080 800.0 0.766 0.766 0.354 0.000 -0.000 0.000 3/46080 810.0 0.757 0.757 0.350 0.000 -0.000 0.000 3/46080 820.0 0.748 0.748 0.346 0.000 -0.000 0.000 3/46080 830.0 0.740 0.740 0.342 0.000 -0.000 0.000 3/46080 840.0 0.731 0.731 0.338 0.000 -0.000 0.000 3/46080 850.0 0.723 0.723 0.334 0.000 -0.000 0.000 3/46080 860.0 0.715 0.715 0.331 0.000 -0.000 0.000 3/46080 870.0 0.707 0.707 0.327 0.000 -0.000 0.000 3/46080 880.0 0.699 0.699 0.324 0.000 -0.000 0.000 3/46080 890.0 0.692 0.692 0.320 0.000 -0.000 0.000 3/46080 900.0 0.685 0.685 0.317 0.000 -0.000 0.000 3/46080 910.0 0.677 0.677 0.314 0.000 -0.000 0.000 3/46080 920.0 0.670 0.670 0.311 0.000 -0.000 0.000 3/46080 930.0 0.664 0.664 0.308 0.000 -0.000 0.000 3/46080 940.0 0.657 0.657 0.305 0.000 -0.000 0.000 3/46080 950.0 0.650 0.650 0.302 0.000 -0.000 0.000 3/46080 960.0 0.644 0.644 0.299 0.000 -0.000 0.000 3/46080 970.0 0.637 0.637 0.296 0.000 -0.000 0.000 3/46080 980.0 0.631 0.631 0.293 0.000 -0.000 0.000 3/46080 990.0 0.625 0.625 0.290 0.000 -0.000 0.000 3/46080 1000.0 0.619 0.619 0.288 0.000 -0.000 0.000 3/46080 Thermal conductivity related properties were written into "kappa-m1880.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:07:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|