----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:18:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.818553750909994 0.000000000000000 0.000000000000000 b -2.909276875454997 5.039015361573288 0.000000000000000 c 0.000000000000000 0.000000000000000 10.441384709999999 Atomic positions (fractional): *1 O 0.98032800273678 0.49016400136839 0.87765185450464 15.999 2 O 0.50983599863161 0.01967199726322 0.87765185450464 15.999 3 O 0.50983599863161 0.49016400136839 0.87765185450464 15.999 4 O 0.49016400136839 0.98032800273678 0.12234814549536 15.999 5 O 0.01967199726322 0.50983599863161 0.12234814549536 15.999 6 O 0.49016400136839 0.50983599863161 0.12234814549536 15.999 *7 O 0.33002116374977 0.16501058187488 0.62142801904450 15.999 8 O 0.83498941812511 0.66997883625023 0.62142801904450 15.999 9 O 0.83498941812511 0.16501058187488 0.62142801904450 15.999 10 O 0.16501058187488 0.83498941812511 0.37857198095550 15.999 11 O 0.66997883625023 0.83498941812511 0.37857198095550 15.999 12 O 0.16501058187488 0.33002116374977 0.37857198095550 15.999 *13 K 0.66666666666667 0.33333333333333 0.38743503561171 39.098 14 K 0.33333333333333 0.66666666666667 0.61256496438829 39.098 *15 K 0.00000000000000 0.00000000000000 0.17705637841336 39.098 16 K 0.00000000000000 0.00000000000000 0.82294362158664 39.098 *17 Zr 0.66666666666667 0.33333333333333 0.71709627346011 91.224 18 Zr 0.33333333333333 0.66666666666667 0.28290372653989 91.224 *19 Zr 0.66666666666667 0.33333333333333 0.02366490876290 91.224 20 Zr 0.33333333333333 0.66666666666667 0.97633509123710 91.224 *21 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.818553750909994 0.000000000000000 0.000000000000000 b -2.909276875454997 5.039015361573288 0.000000000000000 c 0.000000000000000 0.000000000000000 10.441384709999999 Atomic positions (fractional): *1 O 0.98032800273678 0.49016400136839 0.87765185450464 15.999 > 1 2 O 0.50983599863161 0.01967199726322 0.87765185450464 15.999 > 2 3 O 0.50983599863161 0.49016400136839 0.87765185450464 15.999 > 3 4 O 0.49016400136839 0.98032800273678 0.12234814549536 15.999 > 4 5 O 0.01967199726322 0.50983599863161 0.12234814549536 15.999 > 5 6 O 0.49016400136839 0.50983599863161 0.12234814549536 15.999 > 6 *7 O 0.33002116374977 0.16501058187488 0.62142801904450 15.999 > 7 8 O 0.83498941812511 0.66997883625023 0.62142801904450 15.999 > 8 9 O 0.83498941812511 0.16501058187488 0.62142801904450 15.999 > 9 10 O 0.16501058187488 0.83498941812511 0.37857198095550 15.999 > 10 11 O 0.66997883625023 0.83498941812511 0.37857198095550 15.999 > 11 12 O 0.16501058187488 0.33002116374977 0.37857198095550 15.999 > 12 *13 K 0.66666666666667 0.33333333333333 0.38743503561171 39.098 > 13 14 K 0.33333333333333 0.66666666666667 0.61256496438829 39.098 > 14 *15 K 0.00000000000000 0.00000000000000 0.17705637841336 39.098 > 15 16 K 0.00000000000000 0.00000000000000 0.82294362158664 39.098 > 16 *17 Zr 0.66666666666667 0.33333333333333 0.71709627346011 91.224 > 17 18 Zr 0.33333333333333 0.66666666666667 0.28290372653989 91.224 > 18 *19 Zr 0.66666666666667 0.33333333333333 0.02366490876290 91.224 > 19 20 Zr 0.33333333333333 0.66666666666667 0.97633509123710 91.224 > 20 *21 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 21 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.637107501819989 0.000000000000000 0.000000000000000 b -5.818553750909994 10.078030723146576 0.000000000000000 c 0.000000000000000 0.000000000000000 10.441384709999999 Atomic positions (fractional): *1 O 0.49016400136839 0.24508200068420 0.87765185450464 15.999 > 1 2 O 0.99016400136839 0.24508200068420 0.87765185450464 15.999 > 1 3 O 0.49016400136839 0.74508200068420 0.87765185450464 15.999 > 1 4 O 0.99016400136839 0.74508200068420 0.87765185450464 15.999 > 1 5 O 0.25491799931580 0.00983599863161 0.87765185450464 15.999 > 2 6 O 0.75491799931580 0.00983599863161 0.87765185450464 15.999 > 2 7 O 0.25491799931580 0.50983599863161 0.87765185450464 15.999 > 2 8 O 0.75491799931580 0.50983599863161 0.87765185450464 15.999 > 2 9 O 0.25491799931580 0.24508200068420 0.87765185450464 15.999 > 3 10 O 0.75491799931580 0.24508200068420 0.87765185450464 15.999 > 3 11 O 0.25491799931580 0.74508200068420 0.87765185450464 15.999 > 3 12 O 0.75491799931580 0.74508200068420 0.87765185450464 15.999 > 3 13 O 0.24508200068420 0.49016400136839 0.12234814549536 15.999 > 4 14 O 0.74508200068420 0.49016400136839 0.12234814549536 15.999 > 4 15 O 0.24508200068420 0.99016400136839 0.12234814549536 15.999 > 4 16 O 0.74508200068420 0.99016400136839 0.12234814549536 15.999 > 4 17 O 0.00983599863161 0.25491799931580 0.12234814549536 15.999 > 5 18 O 0.50983599863161 0.25491799931580 0.12234814549536 15.999 > 5 19 O 0.00983599863161 0.75491799931580 0.12234814549536 15.999 > 5 20 O 0.50983599863161 0.75491799931580 0.12234814549536 15.999 > 5 21 O 0.24508200068420 0.25491799931580 0.12234814549536 15.999 > 6 22 O 0.74508200068420 0.25491799931580 0.12234814549536 15.999 > 6 23 O 0.24508200068420 0.75491799931580 0.12234814549536 15.999 > 6 24 O 0.74508200068420 0.75491799931580 0.12234814549536 15.999 > 6 *25 O 0.16501058187489 0.08250529093744 0.62142801904450 15.999 > 7 26 O 0.66501058187489 0.08250529093744 0.62142801904450 15.999 > 7 27 O 0.16501058187489 0.58250529093744 0.62142801904450 15.999 > 7 28 O 0.66501058187489 0.58250529093744 0.62142801904450 15.999 > 7 29 O 0.41749470906256 0.33498941812511 0.62142801904450 15.999 > 8 30 O 0.91749470906256 0.33498941812511 0.62142801904450 15.999 > 8 31 O 0.41749470906256 0.83498941812511 0.62142801904450 15.999 > 8 32 O 0.91749470906256 0.83498941812511 0.62142801904450 15.999 > 8 33 O 0.41749470906256 0.08250529093744 0.62142801904450 15.999 > 9 34 O 0.91749470906256 0.08250529093744 0.62142801904450 15.999 > 9 35 O 0.41749470906256 0.58250529093744 0.62142801904450 15.999 > 9 36 O 0.91749470906256 0.58250529093744 0.62142801904450 15.999 > 9 37 O 0.08250529093744 0.41749470906256 0.37857198095550 15.999 > 10 38 O 0.58250529093744 0.41749470906256 0.37857198095550 15.999 > 10 39 O 0.08250529093744 0.91749470906256 0.37857198095550 15.999 > 10 40 O 0.58250529093744 0.91749470906256 0.37857198095550 15.999 > 10 41 O 0.33498941812511 0.41749470906256 0.37857198095550 15.999 > 11 42 O 0.83498941812511 0.41749470906256 0.37857198095550 15.999 > 11 43 O 0.33498941812511 0.91749470906256 0.37857198095550 15.999 > 11 44 O 0.83498941812511 0.91749470906256 0.37857198095550 15.999 > 11 45 O 0.08250529093744 0.16501058187489 0.37857198095550 15.999 > 12 46 O 0.58250529093744 0.16501058187489 0.37857198095550 15.999 > 12 47 O 0.08250529093744 0.66501058187489 0.37857198095550 15.999 > 12 48 O 0.58250529093744 0.66501058187489 0.37857198095550 15.999 > 12 *49 K 0.33333333333333 0.16666666666667 0.38743503561171 39.098 > 13 50 K 0.83333333333333 0.16666666666667 0.38743503561171 39.098 > 13 51 K 0.33333333333333 0.66666666666667 0.38743503561171 39.098 > 13 52 K 0.83333333333333 0.66666666666667 0.38743503561171 39.098 > 13 53 K 0.16666666666667 0.33333333333333 0.61256496438829 39.098 > 14 54 K 0.66666666666667 0.33333333333333 0.61256496438829 39.098 > 14 55 K 0.16666666666667 0.83333333333333 0.61256496438829 39.098 > 14 56 K 0.66666666666667 0.83333333333333 0.61256496438829 39.098 > 14 *57 K 0.00000000000000 0.00000000000000 0.17705637841336 39.098 > 15 58 K 0.50000000000000 0.00000000000000 0.17705637841336 39.098 > 15 59 K 0.00000000000000 0.50000000000000 0.17705637841336 39.098 > 15 60 K 0.50000000000000 0.50000000000000 0.17705637841336 39.098 > 15 61 K 0.00000000000000 0.00000000000000 0.82294362158664 39.098 > 16 62 K 0.50000000000000 0.00000000000000 0.82294362158664 39.098 > 16 63 K 0.00000000000000 0.50000000000000 0.82294362158664 39.098 > 16 64 K 0.50000000000000 0.50000000000000 0.82294362158664 39.098 > 16 *65 Zr 0.33333333333333 0.16666666666667 0.71709627346011 91.224 > 17 66 Zr 0.83333333333333 0.16666666666667 0.71709627346011 91.224 > 17 67 Zr 0.33333333333333 0.66666666666667 0.71709627346011 91.224 > 17 68 Zr 0.83333333333333 0.66666666666667 0.71709627346011 91.224 > 17 69 Zr 0.16666666666667 0.33333333333333 0.28290372653989 91.224 > 18 70 Zr 0.66666666666667 0.33333333333333 0.28290372653989 91.224 > 18 71 Zr 0.16666666666667 0.83333333333333 0.28290372653989 91.224 > 18 72 Zr 0.66666666666667 0.83333333333333 0.28290372653989 91.224 > 18 *73 Zr 0.33333333333333 0.16666666666667 0.02366490876290 91.224 > 19 74 Zr 0.83333333333333 0.16666666666667 0.02366490876290 91.224 > 19 75 Zr 0.33333333333333 0.66666666666667 0.02366490876290 91.224 > 19 76 Zr 0.83333333333333 0.66666666666667 0.02366490876290 91.224 > 19 77 Zr 0.16666666666667 0.33333333333333 0.97633509123710 91.224 > 20 78 Zr 0.66666666666667 0.33333333333333 0.97633509123710 91.224 > 20 79 Zr 0.16666666666667 0.83333333333333 0.97633509123710 91.224 > 20 80 Zr 0.66666666666667 0.83333333333333 0.97633509123710 91.224 > 20 *81 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 21 82 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 21 83 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 21 84 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 21 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2130813 -0.0000000 0.0000000 -0.0000000 4.2130813 0.0000000 0.0000000 0.0000000 4.0691048 -------------------------- Born effective charges -------------------------- 1 O -3.0236422 -1.1036895 -0.6241321 -1.1036895 -1.7492113 -0.3603428 -0.5058800 -0.2920700 -2.5034533 2 O -1.1119959 0.0000000 -0.0000000 0.0000000 -3.6608576 0.7206856 -0.0000000 0.5841400 -2.5034533 3 O -3.0236422 1.1036895 0.6241321 1.1036895 -1.7492113 -0.3603428 0.5058800 -0.2920700 -2.5034533 4 O -1.1119959 0.0000000 -0.0000000 0.0000000 -3.6608576 0.7206856 -0.0000000 0.5841400 -2.5034533 5 O -3.0236422 -1.1036895 -0.6241321 -1.1036895 -1.7492113 -0.3603428 -0.5058800 -0.2920700 -2.5034533 6 O -3.0236422 1.1036895 0.6241321 1.1036895 -1.7492113 -0.3603428 0.5058800 -0.2920700 -2.5034533 7 O -3.5302066 -1.2288277 -1.5454091 -1.2288277 -2.1112786 -0.8922424 -1.3005220 -0.7508567 -2.4974508 8 O -1.4018146 0.0000000 -0.0000000 -0.0000000 -4.2396706 1.7844848 -0.0000000 1.5017134 -2.4974508 9 O -3.5302066 1.2288277 1.5454091 1.2288277 -2.1112786 -0.8922424 1.3005220 -0.7508567 -2.4974508 10 O -3.5302066 1.2288277 1.5454091 1.2288277 -2.1112786 -0.8922424 1.3005220 -0.7508567 -2.4974508 11 O -3.5302066 -1.2288277 -1.5454091 -1.2288277 -2.1112786 -0.8922424 -1.3005220 -0.7508567 -2.4974508 12 O -1.4018146 0.0000000 -0.0000000 -0.0000000 -4.2396706 1.7844848 -0.0000000 1.5017134 -2.4974508 13 K 1.1919279 -0.0000000 -0.0000000 0.0000000 1.1919279 0.0000000 0.0000000 0.0000000 1.1718851 14 K 1.1919279 -0.0000000 -0.0000000 0.0000000 1.1919279 0.0000000 0.0000000 0.0000000 1.1718851 15 K 1.2262030 -0.0000000 -0.0000000 0.0000000 1.2262030 0.0000000 0.0000000 0.0000000 1.1072863 16 K 1.2262030 -0.0000000 -0.0000000 0.0000000 1.2262030 0.0000000 0.0000000 0.0000000 1.1072863 17 Zr 5.3284397 -0.0000000 -0.0000000 0.0000000 5.3284397 0.0000000 0.0000000 0.0000000 5.5519187 18 Zr 5.3284397 -0.0000000 -0.0000000 0.0000000 5.3284397 0.0000000 0.0000000 0.0000000 5.5519187 19 Zr 4.6079546 -0.0000000 -0.0000000 -0.0000000 4.6079546 0.0000000 0.0000000 0.0000000 3.9072191 20 Zr 4.6079546 -0.0000000 -0.0000000 -0.0000000 4.6079546 0.0000000 0.0000000 0.0000000 3.9072191 21 Zr 6.5339656 -0.0000000 -0.0000000 -0.0000000 6.5339656 0.0000000 0.0000000 0.0000000 6.5288057 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 8190/8190 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 758 Number of blocks in projector: 490 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 335 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 281 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 142 Use standard eigh solver. Tree of FC basis block matrices: - (758, 738), data: False |-- (142, 135), data: True |-- (281, 277), data: True |-- (335, 326), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.498 Solver_block: 200 / 240 - Time: 0.503 Solver_block: 240 / 240 - Time: 0.226 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.243 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 8190/8190 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 758 Number of blocks in projector: 490 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 335 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 281 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 142 Use standard eigh solver. Tree of FC basis block matrices: - (758, 738), data: False |-- (142, 135), data: True |-- (281, 277), data: True |-- (335, 326), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:18:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:18:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.818553750909994 0.000000000000000 0.000000000000000 b -2.909276875454997 5.039015361573288 0.000000000000000 c 0.000000000000000 0.000000000000000 10.441384709999999 Atomic positions (fractional): 1 O 0.98032800273678 0.49016400136839 0.87765185450464 15.999 2 O 0.50983599863161 0.01967199726322 0.87765185450464 15.999 3 O 0.50983599863161 0.49016400136839 0.87765185450464 15.999 4 O 0.49016400136839 0.98032800273678 0.12234814549536 15.999 5 O 0.01967199726322 0.50983599863161 0.12234814549536 15.999 6 O 0.49016400136839 0.50983599863161 0.12234814549536 15.999 7 O 0.33002116374977 0.16501058187488 0.62142801904450 15.999 8 O 0.83498941812511 0.66997883625023 0.62142801904450 15.999 9 O 0.83498941812511 0.16501058187488 0.62142801904450 15.999 10 O 0.16501058187488 0.83498941812511 0.37857198095550 15.999 11 O 0.66997883625023 0.83498941812511 0.37857198095550 15.999 12 O 0.16501058187488 0.33002116374977 0.37857198095550 15.999 13 K 0.66666666666667 0.33333333333333 0.38743503561171 39.098 14 K 0.33333333333333 0.66666666666667 0.61256496438829 39.098 15 K 0.00000000000000 0.00000000000000 0.17705637841336 39.098 16 K 0.00000000000000 0.00000000000000 0.82294362158664 39.098 17 Zr 0.66666666666667 0.33333333333333 0.71709627346011 91.224 18 Zr 0.33333333333333 0.66666666666667 0.28290372653989 91.224 19 Zr 0.66666666666667 0.33333333333333 0.02366490876290 91.224 20 Zr 0.33333333333333 0.66666666666667 0.97633509123710 91.224 21 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.637107501819989 0.000000000000000 0.000000000000000 b -5.818553750909994 10.078030723146576 0.000000000000000 c 0.000000000000000 0.000000000000000 10.441384709999999 Atomic positions (fractional): 1 O 0.49016400136839 0.24508200068420 0.87765185450464 15.999 > 1 2 O 0.99016400136839 0.24508200068420 0.87765185450464 15.999 > 1 3 O 0.49016400136839 0.74508200068420 0.87765185450464 15.999 > 1 4 O 0.99016400136839 0.74508200068420 0.87765185450464 15.999 > 1 5 O 0.25491799931580 0.00983599863161 0.87765185450464 15.999 > 5 6 O 0.75491799931580 0.00983599863161 0.87765185450464 15.999 > 5 7 O 0.25491799931580 0.50983599863161 0.87765185450464 15.999 > 5 8 O 0.75491799931580 0.50983599863161 0.87765185450464 15.999 > 5 9 O 0.25491799931580 0.24508200068420 0.87765185450464 15.999 > 9 10 O 0.75491799931580 0.24508200068420 0.87765185450464 15.999 > 9 11 O 0.25491799931580 0.74508200068420 0.87765185450464 15.999 > 9 12 O 0.75491799931580 0.74508200068420 0.87765185450464 15.999 > 9 13 O 0.24508200068420 0.49016400136839 0.12234814549536 15.999 > 13 14 O 0.74508200068420 0.49016400136839 0.12234814549536 15.999 > 13 15 O 0.24508200068420 0.99016400136839 0.12234814549536 15.999 > 13 16 O 0.74508200068420 0.99016400136839 0.12234814549536 15.999 > 13 17 O 0.00983599863161 0.25491799931580 0.12234814549536 15.999 > 17 18 O 0.50983599863161 0.25491799931580 0.12234814549536 15.999 > 17 19 O 0.00983599863161 0.75491799931580 0.12234814549536 15.999 > 17 20 O 0.50983599863161 0.75491799931580 0.12234814549536 15.999 > 17 21 O 0.24508200068420 0.25491799931580 0.12234814549536 15.999 > 21 22 O 0.74508200068420 0.25491799931580 0.12234814549536 15.999 > 21 23 O 0.24508200068420 0.75491799931580 0.12234814549536 15.999 > 21 24 O 0.74508200068420 0.75491799931580 0.12234814549536 15.999 > 21 25 O 0.16501058187489 0.08250529093744 0.62142801904450 15.999 > 25 26 O 0.66501058187489 0.08250529093744 0.62142801904450 15.999 > 25 27 O 0.16501058187489 0.58250529093744 0.62142801904450 15.999 > 25 28 O 0.66501058187489 0.58250529093744 0.62142801904450 15.999 > 25 29 O 0.41749470906256 0.33498941812511 0.62142801904450 15.999 > 29 30 O 0.91749470906256 0.33498941812511 0.62142801904450 15.999 > 29 31 O 0.41749470906256 0.83498941812511 0.62142801904450 15.999 > 29 32 O 0.91749470906256 0.83498941812511 0.62142801904450 15.999 > 29 33 O 0.41749470906256 0.08250529093744 0.62142801904450 15.999 > 33 34 O 0.91749470906256 0.08250529093744 0.62142801904450 15.999 > 33 35 O 0.41749470906256 0.58250529093744 0.62142801904450 15.999 > 33 36 O 0.91749470906256 0.58250529093744 0.62142801904450 15.999 > 33 37 O 0.08250529093744 0.41749470906256 0.37857198095550 15.999 > 37 38 O 0.58250529093744 0.41749470906256 0.37857198095550 15.999 > 37 39 O 0.08250529093744 0.91749470906256 0.37857198095550 15.999 > 37 40 O 0.58250529093744 0.91749470906256 0.37857198095550 15.999 > 37 41 O 0.33498941812511 0.41749470906256 0.37857198095550 15.999 > 41 42 O 0.83498941812511 0.41749470906256 0.37857198095550 15.999 > 41 43 O 0.33498941812511 0.91749470906256 0.37857198095550 15.999 > 41 44 O 0.83498941812511 0.91749470906256 0.37857198095550 15.999 > 41 45 O 0.08250529093744 0.16501058187489 0.37857198095550 15.999 > 45 46 O 0.58250529093744 0.16501058187489 0.37857198095550 15.999 > 45 47 O 0.08250529093744 0.66501058187489 0.37857198095550 15.999 > 45 48 O 0.58250529093744 0.66501058187489 0.37857198095550 15.999 > 45 49 K 0.33333333333333 0.16666666666667 0.38743503561171 39.098 > 49 50 K 0.83333333333333 0.16666666666667 0.38743503561171 39.098 > 49 51 K 0.33333333333333 0.66666666666667 0.38743503561171 39.098 > 49 52 K 0.83333333333333 0.66666666666667 0.38743503561171 39.098 > 49 53 K 0.16666666666667 0.33333333333333 0.61256496438829 39.098 > 53 54 K 0.66666666666667 0.33333333333333 0.61256496438829 39.098 > 53 55 K 0.16666666666667 0.83333333333333 0.61256496438829 39.098 > 53 56 K 0.66666666666667 0.83333333333333 0.61256496438829 39.098 > 53 57 K 0.00000000000000 0.00000000000000 0.17705637841336 39.098 > 57 58 K 0.50000000000000 0.00000000000000 0.17705637841336 39.098 > 57 59 K 0.00000000000000 0.50000000000000 0.17705637841336 39.098 > 57 60 K 0.50000000000000 0.50000000000000 0.17705637841336 39.098 > 57 61 K 0.00000000000000 0.00000000000000 0.82294362158664 39.098 > 61 62 K 0.50000000000000 0.00000000000000 0.82294362158664 39.098 > 61 63 K 0.00000000000000 0.50000000000000 0.82294362158664 39.098 > 61 64 K 0.50000000000000 0.50000000000000 0.82294362158664 39.098 > 61 65 Zr 0.33333333333333 0.16666666666667 0.71709627346011 91.224 > 65 66 Zr 0.83333333333333 0.16666666666667 0.71709627346011 91.224 > 65 67 Zr 0.33333333333333 0.66666666666667 0.71709627346011 91.224 > 65 68 Zr 0.83333333333333 0.66666666666667 0.71709627346011 91.224 > 65 69 Zr 0.16666666666667 0.33333333333333 0.28290372653989 91.224 > 69 70 Zr 0.66666666666667 0.33333333333333 0.28290372653989 91.224 > 69 71 Zr 0.16666666666667 0.83333333333333 0.28290372653989 91.224 > 69 72 Zr 0.66666666666667 0.83333333333333 0.28290372653989 91.224 > 69 73 Zr 0.33333333333333 0.16666666666667 0.02366490876290 91.224 > 73 74 Zr 0.83333333333333 0.16666666666667 0.02366490876290 91.224 > 73 75 Zr 0.33333333333333 0.66666666666667 0.02366490876290 91.224 > 73 76 Zr 0.83333333333333 0.66666666666667 0.02366490876290 91.224 > 73 77 Zr 0.16666666666667 0.33333333333333 0.97633509123710 91.224 > 77 78 Zr 0.66666666666667 0.33333333333333 0.97633509123710 91.224 > 77 79 Zr 0.16666666666667 0.83333333333333 0.97633509123710 91.224 > 77 80 Zr 0.66666666666667 0.83333333333333 0.97633509123710 91.224 > 77 81 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 81 82 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 81 83 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 81 84 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2130813 -0.0000000 0.0000000 -0.0000000 4.2130813 0.0000000 0.0000000 0.0000000 4.0691048 -------------------------- Born effective charges -------------------------- 1 O -3.0236422 -1.1036895 -0.6241321 -1.1036895 -1.7492113 -0.3603428 -0.5058800 -0.2920700 -2.5034533 2 O -1.1119959 0.0000000 -0.0000000 0.0000000 -3.6608576 0.7206856 -0.0000000 0.5841400 -2.5034533 3 O -3.0236422 1.1036895 0.6241321 1.1036895 -1.7492113 -0.3603428 0.5058800 -0.2920700 -2.5034533 4 O -1.1119959 0.0000000 -0.0000000 0.0000000 -3.6608576 0.7206856 -0.0000000 0.5841400 -2.5034533 5 O -3.0236422 -1.1036895 -0.6241321 -1.1036895 -1.7492113 -0.3603428 -0.5058800 -0.2920700 -2.5034533 6 O -3.0236422 1.1036895 0.6241321 1.1036895 -1.7492113 -0.3603428 0.5058800 -0.2920700 -2.5034533 7 O -3.5302066 -1.2288277 -1.5454091 -1.2288277 -2.1112786 -0.8922424 -1.3005220 -0.7508567 -2.4974508 8 O -1.4018146 0.0000000 -0.0000000 -0.0000000 -4.2396706 1.7844848 -0.0000000 1.5017134 -2.4974508 9 O -3.5302066 1.2288277 1.5454091 1.2288277 -2.1112786 -0.8922424 1.3005220 -0.7508567 -2.4974508 10 O -3.5302066 1.2288277 1.5454091 1.2288277 -2.1112786 -0.8922424 1.3005220 -0.7508567 -2.4974508 11 O -3.5302066 -1.2288277 -1.5454091 -1.2288277 -2.1112786 -0.8922424 -1.3005220 -0.7508567 -2.4974508 12 O -1.4018146 0.0000000 -0.0000000 -0.0000000 -4.2396706 1.7844848 -0.0000000 1.5017134 -2.4974508 13 K 1.1919279 -0.0000000 -0.0000000 0.0000000 1.1919279 0.0000000 0.0000000 0.0000000 1.1718851 14 K 1.1919279 -0.0000000 -0.0000000 0.0000000 1.1919279 0.0000000 0.0000000 0.0000000 1.1718851 15 K 1.2262030 -0.0000000 -0.0000000 0.0000000 1.2262030 0.0000000 0.0000000 0.0000000 1.1072863 16 K 1.2262030 -0.0000000 -0.0000000 0.0000000 1.2262030 0.0000000 0.0000000 0.0000000 1.1072863 17 Zr 5.3284397 -0.0000000 -0.0000000 0.0000000 5.3284397 0.0000000 0.0000000 0.0000000 5.5519187 18 Zr 5.3284397 -0.0000000 -0.0000000 0.0000000 5.3284397 0.0000000 0.0000000 0.0000000 5.5519187 19 Zr 4.6079546 -0.0000000 -0.0000000 -0.0000000 4.6079546 0.0000000 0.0000000 0.0000000 3.9072191 20 Zr 4.6079546 -0.0000000 -0.0000000 -0.0000000 4.6079546 0.0000000 0.0000000 0.0000000 3.9072191 21 Zr 6.5339656 -0.0000000 -0.0000000 -0.0000000 6.5339656 0.0000000 0.0000000 0.0000000 6.5288057 ---------------------------------------------------------------------------- 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 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, 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[ 65, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000009 (zzz) 0.00000009 (zzz) 0.00000009 (zzz) 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 2026-01-08 06:18:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:18:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.818553750909994 0.000000000000000 0.000000000000000 b -2.909276875454997 5.039015361573288 0.000000000000000 c 0.000000000000000 0.000000000000000 10.441384709999999 Atomic positions (fractional): 1 O 0.98032800273678 0.49016400136839 0.87765185450464 15.999 2 O 0.50983599863161 0.01967199726322 0.87765185450464 15.999 3 O 0.50983599863161 0.49016400136839 0.87765185450464 15.999 4 O 0.49016400136839 0.98032800273678 0.12234814549536 15.999 5 O 0.01967199726322 0.50983599863161 0.12234814549536 15.999 6 O 0.49016400136839 0.50983599863161 0.12234814549536 15.999 7 O 0.33002116374977 0.16501058187488 0.62142801904450 15.999 8 O 0.83498941812511 0.66997883625023 0.62142801904450 15.999 9 O 0.83498941812511 0.16501058187488 0.62142801904450 15.999 10 O 0.16501058187488 0.83498941812511 0.37857198095550 15.999 11 O 0.66997883625023 0.83498941812511 0.37857198095550 15.999 12 O 0.16501058187488 0.33002116374977 0.37857198095550 15.999 13 K 0.66666666666667 0.33333333333333 0.38743503561171 39.098 14 K 0.33333333333333 0.66666666666667 0.61256496438829 39.098 15 K 0.00000000000000 0.00000000000000 0.17705637841336 39.098 16 K 0.00000000000000 0.00000000000000 0.82294362158664 39.098 17 Zr 0.66666666666667 0.33333333333333 0.71709627346011 91.224 18 Zr 0.33333333333333 0.66666666666667 0.28290372653989 91.224 19 Zr 0.66666666666667 0.33333333333333 0.02366490876290 91.224 20 Zr 0.33333333333333 0.66666666666667 0.97633509123710 91.224 21 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.637107501819989 0.000000000000000 0.000000000000000 b -5.818553750909994 10.078030723146576 0.000000000000000 c 0.000000000000000 0.000000000000000 10.441384709999999 Atomic positions (fractional): 1 O 0.49016400136839 0.24508200068420 0.87765185450464 15.999 > 1 2 O 0.99016400136839 0.24508200068420 0.87765185450464 15.999 > 1 3 O 0.49016400136839 0.74508200068420 0.87765185450464 15.999 > 1 4 O 0.99016400136839 0.74508200068420 0.87765185450464 15.999 > 1 5 O 0.25491799931580 0.00983599863161 0.87765185450464 15.999 > 5 6 O 0.75491799931580 0.00983599863161 0.87765185450464 15.999 > 5 7 O 0.25491799931580 0.50983599863161 0.87765185450464 15.999 > 5 8 O 0.75491799931580 0.50983599863161 0.87765185450464 15.999 > 5 9 O 0.25491799931580 0.24508200068420 0.87765185450464 15.999 > 9 10 O 0.75491799931580 0.24508200068420 0.87765185450464 15.999 > 9 11 O 0.25491799931580 0.74508200068420 0.87765185450464 15.999 > 9 12 O 0.75491799931580 0.74508200068420 0.87765185450464 15.999 > 9 13 O 0.24508200068420 0.49016400136839 0.12234814549536 15.999 > 13 14 O 0.74508200068420 0.49016400136839 0.12234814549536 15.999 > 13 15 O 0.24508200068420 0.99016400136839 0.12234814549536 15.999 > 13 16 O 0.74508200068420 0.99016400136839 0.12234814549536 15.999 > 13 17 O 0.00983599863161 0.25491799931580 0.12234814549536 15.999 > 17 18 O 0.50983599863161 0.25491799931580 0.12234814549536 15.999 > 17 19 O 0.00983599863161 0.75491799931580 0.12234814549536 15.999 > 17 20 O 0.50983599863161 0.75491799931580 0.12234814549536 15.999 > 17 21 O 0.24508200068420 0.25491799931580 0.12234814549536 15.999 > 21 22 O 0.74508200068420 0.25491799931580 0.12234814549536 15.999 > 21 23 O 0.24508200068420 0.75491799931580 0.12234814549536 15.999 > 21 24 O 0.74508200068420 0.75491799931580 0.12234814549536 15.999 > 21 25 O 0.16501058187489 0.08250529093744 0.62142801904450 15.999 > 25 26 O 0.66501058187489 0.08250529093744 0.62142801904450 15.999 > 25 27 O 0.16501058187489 0.58250529093744 0.62142801904450 15.999 > 25 28 O 0.66501058187489 0.58250529093744 0.62142801904450 15.999 > 25 29 O 0.41749470906256 0.33498941812511 0.62142801904450 15.999 > 29 30 O 0.91749470906256 0.33498941812511 0.62142801904450 15.999 > 29 31 O 0.41749470906256 0.83498941812511 0.62142801904450 15.999 > 29 32 O 0.91749470906256 0.83498941812511 0.62142801904450 15.999 > 29 33 O 0.41749470906256 0.08250529093744 0.62142801904450 15.999 > 33 34 O 0.91749470906256 0.08250529093744 0.62142801904450 15.999 > 33 35 O 0.41749470906256 0.58250529093744 0.62142801904450 15.999 > 33 36 O 0.91749470906256 0.58250529093744 0.62142801904450 15.999 > 33 37 O 0.08250529093744 0.41749470906256 0.37857198095550 15.999 > 37 38 O 0.58250529093744 0.41749470906256 0.37857198095550 15.999 > 37 39 O 0.08250529093744 0.91749470906256 0.37857198095550 15.999 > 37 40 O 0.58250529093744 0.91749470906256 0.37857198095550 15.999 > 37 41 O 0.33498941812511 0.41749470906256 0.37857198095550 15.999 > 41 42 O 0.83498941812511 0.41749470906256 0.37857198095550 15.999 > 41 43 O 0.33498941812511 0.91749470906256 0.37857198095550 15.999 > 41 44 O 0.83498941812511 0.91749470906256 0.37857198095550 15.999 > 41 45 O 0.08250529093744 0.16501058187489 0.37857198095550 15.999 > 45 46 O 0.58250529093744 0.16501058187489 0.37857198095550 15.999 > 45 47 O 0.08250529093744 0.66501058187489 0.37857198095550 15.999 > 45 48 O 0.58250529093744 0.66501058187489 0.37857198095550 15.999 > 45 49 K 0.33333333333333 0.16666666666667 0.38743503561171 39.098 > 49 50 K 0.83333333333333 0.16666666666667 0.38743503561171 39.098 > 49 51 K 0.33333333333333 0.66666666666667 0.38743503561171 39.098 > 49 52 K 0.83333333333333 0.66666666666667 0.38743503561171 39.098 > 49 53 K 0.16666666666667 0.33333333333333 0.61256496438829 39.098 > 53 54 K 0.66666666666667 0.33333333333333 0.61256496438829 39.098 > 53 55 K 0.16666666666667 0.83333333333333 0.61256496438829 39.098 > 53 56 K 0.66666666666667 0.83333333333333 0.61256496438829 39.098 > 53 57 K 0.00000000000000 0.00000000000000 0.17705637841336 39.098 > 57 58 K 0.50000000000000 0.00000000000000 0.17705637841336 39.098 > 57 59 K 0.00000000000000 0.50000000000000 0.17705637841336 39.098 > 57 60 K 0.50000000000000 0.50000000000000 0.17705637841336 39.098 > 57 61 K 0.00000000000000 0.00000000000000 0.82294362158664 39.098 > 61 62 K 0.50000000000000 0.00000000000000 0.82294362158664 39.098 > 61 63 K 0.00000000000000 0.50000000000000 0.82294362158664 39.098 > 61 64 K 0.50000000000000 0.50000000000000 0.82294362158664 39.098 > 61 65 Zr 0.33333333333333 0.16666666666667 0.71709627346011 91.224 > 65 66 Zr 0.83333333333333 0.16666666666667 0.71709627346011 91.224 > 65 67 Zr 0.33333333333333 0.66666666666667 0.71709627346011 91.224 > 65 68 Zr 0.83333333333333 0.66666666666667 0.71709627346011 91.224 > 65 69 Zr 0.16666666666667 0.33333333333333 0.28290372653989 91.224 > 69 70 Zr 0.66666666666667 0.33333333333333 0.28290372653989 91.224 > 69 71 Zr 0.16666666666667 0.83333333333333 0.28290372653989 91.224 > 69 72 Zr 0.66666666666667 0.83333333333333 0.28290372653989 91.224 > 69 73 Zr 0.33333333333333 0.16666666666667 0.02366490876290 91.224 > 73 74 Zr 0.83333333333333 0.16666666666667 0.02366490876290 91.224 > 73 75 Zr 0.33333333333333 0.66666666666667 0.02366490876290 91.224 > 73 76 Zr 0.83333333333333 0.66666666666667 0.02366490876290 91.224 > 73 77 Zr 0.16666666666667 0.33333333333333 0.97633509123710 91.224 > 77 78 Zr 0.66666666666667 0.33333333333333 0.97633509123710 91.224 > 77 79 Zr 0.16666666666667 0.83333333333333 0.97633509123710 91.224 > 77 80 Zr 0.66666666666667 0.83333333333333 0.97633509123710 91.224 > 77 81 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 81 82 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 81 83 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 81 84 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2130813 -0.0000000 0.0000000 -0.0000000 4.2130813 0.0000000 0.0000000 0.0000000 4.0691048 -------------------------- Born effective charges -------------------------- 1 O -3.0236422 -1.1036895 -0.6241321 -1.1036895 -1.7492113 -0.3603428 -0.5058800 -0.2920700 -2.5034533 2 O -1.1119959 0.0000000 -0.0000000 0.0000000 -3.6608576 0.7206856 -0.0000000 0.5841400 -2.5034533 3 O -3.0236422 1.1036895 0.6241321 1.1036895 -1.7492113 -0.3603428 0.5058800 -0.2920700 -2.5034533 4 O -1.1119959 0.0000000 -0.0000000 0.0000000 -3.6608576 0.7206856 -0.0000000 0.5841400 -2.5034533 5 O -3.0236422 -1.1036895 -0.6241321 -1.1036895 -1.7492113 -0.3603428 -0.5058800 -0.2920700 -2.5034533 6 O -3.0236422 1.1036895 0.6241321 1.1036895 -1.7492113 -0.3603428 0.5058800 -0.2920700 -2.5034533 7 O -3.5302066 -1.2288277 -1.5454091 -1.2288277 -2.1112786 -0.8922424 -1.3005220 -0.7508567 -2.4974508 8 O -1.4018146 0.0000000 -0.0000000 -0.0000000 -4.2396706 1.7844848 -0.0000000 1.5017134 -2.4974508 9 O -3.5302066 1.2288277 1.5454091 1.2288277 -2.1112786 -0.8922424 1.3005220 -0.7508567 -2.4974508 10 O -3.5302066 1.2288277 1.5454091 1.2288277 -2.1112786 -0.8922424 1.3005220 -0.7508567 -2.4974508 11 O -3.5302066 -1.2288277 -1.5454091 -1.2288277 -2.1112786 -0.8922424 -1.3005220 -0.7508567 -2.4974508 12 O -1.4018146 0.0000000 -0.0000000 -0.0000000 -4.2396706 1.7844848 -0.0000000 1.5017134 -2.4974508 13 K 1.1919279 -0.0000000 -0.0000000 0.0000000 1.1919279 0.0000000 0.0000000 0.0000000 1.1718851 14 K 1.1919279 -0.0000000 -0.0000000 0.0000000 1.1919279 0.0000000 0.0000000 0.0000000 1.1718851 15 K 1.2262030 -0.0000000 -0.0000000 0.0000000 1.2262030 0.0000000 0.0000000 0.0000000 1.1072863 16 K 1.2262030 -0.0000000 -0.0000000 0.0000000 1.2262030 0.0000000 0.0000000 0.0000000 1.1072863 17 Zr 5.3284397 -0.0000000 -0.0000000 0.0000000 5.3284397 0.0000000 0.0000000 0.0000000 5.5519187 18 Zr 5.3284397 -0.0000000 -0.0000000 0.0000000 5.3284397 0.0000000 0.0000000 0.0000000 5.5519187 19 Zr 4.6079546 -0.0000000 -0.0000000 -0.0000000 4.6079546 0.0000000 0.0000000 0.0000000 3.9072191 20 Zr 4.6079546 -0.0000000 -0.0000000 -0.0000000 4.6079546 0.0000000 0.0000000 0.0000000 3.9072191 21 Zr 6.5339656 -0.0000000 -0.0000000 -0.0000000 6.5339656 0.0000000 0.0000000 0.0000000 6.5288057 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (zzz) 0.00000009 (zzz) 0.00000009 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 10 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 313, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/58) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 58 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 0.672 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 7.926 ( 0.000 0.000 0.000) 0.000 7.926 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 10.022 ( 0.000 0.000 0.000) 0.000 10.022 ( 0.000 0.000 0.000) 0.000 10.026 ( 0.000 0.000 0.000) 0.000 10.593 ( 0.000 0.000 0.000) 0.000 10.593 ( 0.000 0.000 0.000) 0.000 11.739 ( 0.000 0.000 0.000) 0.000 12.460 ( 0.000 0.000 0.000) 0.000 12.460 ( 0.000 0.000 0.000) 0.000 13.629 ( 0.000 0.000 0.000) 0.000 13.629 ( 0.000 0.000 0.000) 0.000 13.773 ( 0.000 0.000 0.000) 0.000 14.578 ( 0.000 0.000 0.000) 0.000 16.138 ( 0.000 0.000 0.000) 0.000 16.138 ( 0.000 0.000 0.000) 0.000 16.940 ( 0.000 0.000 0.000) 0.000 16.940 ( 0.000 0.000 0.000) 0.000 17.776 ( 0.000 0.000 0.000) 0.000 17.776 ( 0.000 0.000 0.000) 0.000 19.865 ( 0.000 0.000 0.000) 0.000 20.097 ( 0.000 0.000 0.000) 0.000 23.979 ( 0.000 0.000 0.000) 0.000 26.035 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/58) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 22.805 13.166 -1.759) 26.392 0.795 ( 33.140 19.133 1.987) 38.318 1.249 ( 37.204 21.480 0.006) 42.960 1.463 ( 62.644 36.167 -1.125) 72.344 2.788 ( 2.600 1.501 -14.584) 14.890 2.997 ( 5.188 2.995 14.394) 15.591 3.018 ( 8.224 4.748 6.592) 11.560 3.278 ( 13.834 7.987 -6.196) 17.133 3.386 ( -0.528 -0.305 0.017) 0.610 3.401 ( 15.684 9.055 0.205) 18.111 3.567 ( 1.968 1.136 -1.534) 2.742 4.058 ( 11.332 6.542 -0.096) 13.085 4.247 ( -3.051 -1.761 2.571) 4.361 4.266 ( -0.117 -0.068 -2.705) 2.709 4.414 ( -2.159 -1.247 -1.194) 2.765 4.420 ( -1.711 -0.988 1.087) 2.255 4.742 ( -6.455 -3.727 -3.283) 8.145 4.750 ( -3.278 -1.893 2.641) 4.616 4.766 ( -5.447 -3.145 1.318) 6.426 4.950 ( 3.086 1.782 -2.889) 4.588 5.126 ( 3.671 2.119 1.494) 4.494 5.162 ( 5.139 2.967 2.721) 6.528 5.392 ( -0.798 -0.460 1.545) 1.799 5.429 ( 10.337 5.968 -1.388) 12.016 5.442 ( 5.311 3.067 0.146) 6.135 5.547 ( 0.023 0.013 0.248) 0.250 6.087 ( 5.637 3.255 -1.060) 6.595 6.301 ( 4.923 2.842 -4.001) 6.951 6.924 ( 1.271 0.734 0.381) 1.517 7.235 ( -3.658 -2.112 9.585) 10.474 7.258 ( -3.887 -2.244 -8.668) 9.761 7.454 ( 5.915 3.415 4.290) 8.065 7.885 ( -3.674 -2.121 2.205) 4.782 8.036 ( 6.114 3.530 -1.785) 7.282 8.097 ( 2.445 1.412 -3.370) 4.396 8.529 ( -7.885 -4.552 -19.625) 21.634 8.640 ( -0.177 -0.102 27.749) 27.750 8.792 ( -1.889 -1.091 -5.289) 5.721 8.952 ( 1.776 1.026 -5.399) 5.775 9.610 ( -3.646 -2.105 -2.783) 5.047 9.949 ( -3.955 -2.283 -1.873) 4.936 9.998 ( -2.140 -1.236 5.328) 5.873 10.098 ( 3.646 2.105 2.379) 4.836 10.389 ( 7.440 4.295 0.387) 8.600 10.568 ( -2.139 -1.235 -1.165) 2.731 10.993 ( 4.492 2.594 3.764) 6.409 11.757 ( 1.517 0.876 -0.365) 1.790 12.434 ( -2.169 -1.252 0.087) 2.506 12.458 ( -0.268 -0.155 -0.060) 0.316 13.625 ( -0.384 -0.221 -0.810) 0.923 13.627 ( -10.709 -6.183 0.160) 12.367 14.432 ( -11.836 -6.834 -0.856) 13.694 15.537 ( 15.258 8.809 -5.839) 18.560 16.114 ( -2.006 -1.158 5.102) 5.603 16.223 ( 6.776 3.912 5.733) 9.700 16.971 ( 2.597 1.499 -6.226) 6.911 17.788 ( 0.926 0.535 -1.540) 1.875 17.794 ( 1.495 0.863 1.999) 2.641 19.852 ( -1.232 -0.711 -0.335) 1.461 19.986 ( -8.911 -5.145 -0.033) 10.289 22.531 ( 8.992 5.191 0.655) 10.404 23.953 ( -2.159 -1.246 -0.260) 2.506 25.980 ( -4.726 -2.729 0.029) 5.457 ======================= Grid point 2 (3/58) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 25.308 14.612 -3.745) 29.462 1.492 ( 27.445 15.845 1.124) 31.711 2.091 ( 33.836 19.535 -0.380) 39.072 2.831 ( 55.041 31.778 -2.711) 63.613 2.864 ( 4.224 2.439 -13.024) 13.908 3.126 ( 5.435 3.138 13.187) 14.605 3.267 ( 12.336 7.122 2.573) 14.475 3.350 ( -1.401 -0.809 0.918) 1.860 3.591 ( 6.272 3.621 5.425) 9.049 3.727 ( 16.951 9.787 -11.591) 22.748 3.845 ( 19.451 11.230 2.325) 22.581 4.128 ( -2.631 -1.519 -2.872) 4.180 4.161 ( -3.823 -2.207 3.083) 5.384 4.351 ( -2.728 -1.575 -0.174) 3.155 4.365 ( -2.404 -1.388 1.333) 3.079 4.487 ( 11.753 6.785 -0.911) 13.601 4.543 ( -10.856 -6.267 -5.648) 13.749 4.617 ( -6.981 -4.030 5.570) 9.798 4.695 ( 3.050 1.761 0.924) 3.641 5.073 ( 7.384 4.263 -6.536) 10.743 5.203 ( -3.081 -1.779 1.072) 3.716 5.256 ( 8.327 4.807 4.105) 10.454 5.296 ( -4.303 -2.484 3.704) 6.197 5.542 ( -0.524 -0.303 0.534) 0.807 5.686 ( 13.576 7.838 2.211) 15.831 5.750 ( 16.578 9.571 -0.949) 19.166 6.324 ( 13.948 8.053 0.508) 16.114 6.481 ( 11.193 6.462 -7.402) 14.894 6.882 ( -4.286 -2.474 -3.521) 6.073 7.148 ( -3.261 -1.883 14.439) 14.921 7.206 ( 0.257 0.149 -17.338) 17.340 7.664 ( 10.118 5.841 9.673) 15.168 7.757 ( -7.384 -4.263 4.110) 9.465 8.086 ( -8.630 -4.982 -0.701) 9.989 8.160 ( 2.617 1.511 -2.595) 3.983 8.320 ( 0.060 0.034 3.493) 3.494 8.723 ( -4.205 -2.428 -9.117) 10.330 8.747 ( 5.007 2.891 11.631) 12.988 8.956 ( -0.052 -0.030 -13.708) 13.708 9.486 ( -7.107 -4.103 -5.806) 10.052 9.824 ( -6.990 -4.036 0.408) 8.082 9.924 ( -4.277 -2.469 10.285) 11.409 10.205 ( 5.549 3.204 6.035) 8.802 10.502 ( -3.401 -1.964 -2.611) 4.716 10.587 ( 8.604 4.967 -5.612) 11.410 11.146 ( 8.908 5.143 8.606) 13.412 11.802 ( 2.188 1.264 -1.989) 3.216 12.367 ( -3.547 -2.048 0.160) 4.098 12.439 ( -1.624 -0.937 0.082) 1.877 13.375 ( -9.903 -5.718 0.384) 11.442 13.611 ( -0.807 -0.466 -1.434) 1.710 14.093 ( -16.507 -9.530 -4.246) 19.528 15.941 ( 18.456 10.656 -2.951) 21.514 16.052 ( -3.172 -1.831 7.472) 8.322 16.412 ( 9.084 5.245 7.476) 12.881 17.049 ( 3.894 2.248 -9.348) 10.374 17.807 ( 0.452 0.261 -3.215) 3.257 17.839 ( 2.307 1.332 3.375) 4.300 19.737 ( -11.601 -6.698 1.170) 13.447 19.807 ( -2.856 -1.649 -1.606) 3.668 22.795 ( 13.238 7.643 0.516) 15.294 23.886 ( -3.511 -2.027 -0.436) 4.077 25.827 ( -8.361 -4.827 0.168) 9.655 ======================= Grid point 3 (4/58) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 25.671 14.821 -5.927) 30.229 2.048 ( 21.120 12.194 -0.418) 24.391 2.701 ( 16.964 9.794 -3.006) 19.818 3.011 ( 9.261 5.347 -2.862) 11.070 3.224 ( 3.403 1.965 6.290) 7.417 3.290 ( -3.122 -1.803 1.262) 3.819 3.476 ( 5.921 3.418 -4.735) 8.316 3.694 ( 8.273 4.776 6.674) 11.653 3.879 ( 18.664 10.776 -9.514) 23.558 4.002 ( -2.724 -1.572 0.951) 3.286 4.030 ( 4.887 2.822 -0.914) 5.717 4.157 ( -0.333 -0.192 -1.128) 1.192 4.173 ( 5.111 2.951 -0.248) 5.906 4.261 ( -10.946 -6.319 -3.511) 13.117 4.359 ( 2.403 1.388 2.317) 3.615 4.429 ( 1.545 0.892 10.360) 10.512 4.544 ( 20.531 11.853 -1.469) 23.752 4.562 ( 2.651 1.530 4.241) 5.230 5.020 ( 18.164 10.487 -7.996) 22.447 5.074 ( -6.494 -3.749 2.844) 8.020 5.192 ( -4.743 -2.738 2.729) 6.119 5.271 ( 9.388 5.420 -5.677) 12.237 5.517 ( -1.754 -1.013 0.611) 2.116 5.538 ( 15.756 9.097 3.286) 18.488 6.025 ( 14.729 8.504 5.203) 17.785 6.111 ( 13.543 7.819 1.130) 15.679 6.580 ( 4.501 2.599 6.680) 8.464 6.828 ( 18.063 10.429 -7.478) 22.158 6.866 ( 5.787 3.341 -16.921) 18.193 7.111 ( 0.900 0.520 12.438) 12.482 7.221 ( 0.009 0.005 -16.253) 16.253 7.554 ( -10.012 -5.780 4.755) 12.500 7.649 ( -15.315 -8.842 1.436) 17.743 7.967 ( 5.358 3.093 20.106) 21.036 8.199 ( 0.495 0.286 2.361) 2.429 8.417 ( 4.285 2.474 1.759) 5.251 8.609 ( -5.346 -3.087 -10.516) 12.194 8.824 ( 2.672 1.542 1.230) 3.321 9.001 ( 3.647 2.105 -12.009) 12.726 9.289 ( -9.787 -5.651 -9.011) 14.454 9.642 ( -8.407 -4.854 1.318) 9.796 9.809 ( -5.446 -3.144 13.477) 14.872 10.327 ( 4.467 2.579 8.160) 9.653 10.420 ( -3.592 -2.074 -3.816) 5.636 10.757 ( 6.423 3.708 -7.659) 10.661 11.388 ( 11.319 6.535 7.880) 15.262 11.842 ( 0.983 0.568 -2.677) 2.908 12.282 ( -3.590 -2.073 0.191) 4.150 12.377 ( -3.719 -2.147 -0.089) 4.295 13.207 ( -4.624 -2.670 0.673) 5.382 13.589 ( -1.086 -0.627 -1.595) 2.029 13.721 ( -15.235 -8.796 -4.554) 18.171 15.977 ( -3.197 -1.846 6.862) 7.791 16.334 ( 15.112 8.725 0.880) 17.472 16.621 ( 8.843 5.106 6.927) 12.339 17.138 ( 3.657 2.111 -8.837) 9.795 17.799 ( -1.257 -0.726 -4.736) 4.954 17.892 ( 2.150 1.241 3.587) 4.362 19.496 ( -8.656 -4.997 0.629) 10.014 19.723 ( -4.326 -2.498 -1.055) 5.106 23.107 ( 13.445 7.763 -0.034) 15.525 23.801 ( -3.740 -2.159 -0.424) 4.340 25.613 ( -9.778 -5.645 0.330) 11.295 ======================= Grid point 4 (5/58) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 22.075 12.745 -6.584) 26.327 2.465 ( 15.261 8.811 -2.214) 17.761 2.895 ( 2.360 1.363 -1.721) 3.223 3.120 ( -1.161 -0.670 4.975) 5.153 3.166 ( -8.234 -4.754 3.499) 10.131 3.378 ( 8.622 4.978 -1.678) 10.096 3.510 ( -1.225 -0.707 -1.231) 1.875 3.868 ( 5.266 3.040 -5.224) 8.017 3.906 ( -2.522 -1.456 -1.153) 3.132 3.954 ( -0.746 -0.431 1.097) 1.395 4.022 ( -4.772 -2.755 -0.042) 5.511 4.069 ( -4.897 -2.827 -1.112) 5.762 4.073 ( -2.752 -1.589 -0.368) 3.199 4.349 ( -2.750 -1.588 6.891) 7.587 4.394 ( 1.160 0.670 1.526) 2.030 4.435 ( 9.810 5.664 -2.270) 11.552 4.631 ( 1.827 1.055 3.029) 3.691 4.958 ( -2.878 -1.662 4.479) 5.578 5.074 ( -2.491 -1.438 2.007) 3.508 5.374 ( 10.008 5.778 -5.419) 12.764 5.400 ( 21.183 12.230 -5.851) 25.150 5.498 ( 15.520 8.961 3.789) 18.317 5.509 ( 11.360 6.559 -3.998) 13.713 5.873 ( 11.098 6.408 -0.212) 12.817 6.298 ( 7.759 4.480 7.189) 11.487 6.397 ( 13.145 7.589 2.401) 15.367 6.618 ( 2.030 1.172 -4.177) 4.790 6.914 ( -11.718 -6.765 -5.446) 14.585 6.974 ( -5.397 -3.116 7.869) 10.038 7.185 ( -0.939 -0.542 -3.917) 4.064 7.292 ( -4.550 -2.627 3.548) 6.340 7.355 ( -4.960 -2.864 -3.797) 6.871 7.455 ( 18.586 10.731 -8.553) 23.103 8.071 ( 3.023 1.745 12.461) 12.941 8.162 ( -4.545 -2.624 9.681) 11.012 8.475 ( 0.692 0.400 2.083) 2.231 8.498 ( -3.936 -2.273 -7.688) 8.931 8.915 ( 5.032 2.906 -6.439) 8.674 9.064 ( -8.779 -5.069 -9.611) 13.969 9.076 ( 2.251 1.300 -3.630) 4.464 9.464 ( -6.522 -3.766 1.600) 7.700 9.694 ( -4.072 -2.351 10.818) 11.796 10.347 ( -2.553 -1.474 -3.192) 4.344 10.396 ( 1.644 0.949 5.092) 5.435 10.894 ( 5.329 3.077 -3.445) 7.052 11.614 ( 7.263 4.193 -0.309) 8.392 11.849 ( 0.156 0.090 2.554) 2.561 12.213 ( -2.230 -1.288 0.137) 2.579 12.280 ( -4.322 -2.496 -1.334) 5.166 13.159 ( 0.278 0.161 1.169) 1.213 13.422 ( -10.405 -6.007 -3.111) 12.411 13.566 ( -0.840 -0.485 -1.071) 1.445 15.915 ( -2.019 -1.166 4.039) 4.664 16.606 ( 8.189 4.728 1.634) 9.596 16.802 ( 6.426 3.710 5.317) 9.129 17.207 ( 2.189 1.264 -5.332) 5.900 17.755 ( -2.169 -1.252 -4.479) 5.132 17.932 ( 1.239 0.715 2.347) 2.748 19.358 ( -3.383 -1.953 0.315) 3.919 19.621 ( -4.066 -2.348 -0.623) 4.736 23.384 ( 10.037 5.795 -0.308) 11.594 23.720 ( -3.220 -1.859 -0.229) 3.725 25.408 ( -7.314 -4.223 0.315) 8.451 ======================= Grid point 5 (6/58) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 0.000 0.000 -0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.995 ( -0.000 -0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 -0.000) 0.000 3.489 ( 0.000 0.000 -0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 -0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 3.983 ( -0.000 -0.000 -0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 4.412 ( 0.000 0.000 -0.000) 0.000 4.548 ( -0.000 -0.000 0.000) 0.000 4.647 ( 0.000 0.000 -0.000) 0.000 4.931 ( -0.000 -0.000 0.000) 0.000 5.044 ( 0.000 0.000 -0.000) 0.000 5.406 ( 0.000 0.000 -0.000) 0.000 5.484 ( 0.000 0.000 -0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 -0.000) 0.000 6.664 ( 0.000 0.000 -0.000) 0.000 6.677 ( -0.000 -0.000 -0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 -0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 -0.000) 0.000 7.871 ( -0.000 -0.000 0.000) 0.000 7.973 ( 0.000 0.000 -0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.449 ( -0.000 -0.000 -0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 -0.000) 0.000 8.994 ( 0.000 0.000 -0.000) 0.000 9.099 ( 0.000 0.000 -0.000) 0.000 9.378 ( 0.000 0.000 -0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 10.315 ( 0.000 0.000 -0.000) 0.000 10.413 ( 0.000 0.000 0.000) 0.000 10.965 ( 0.000 0.000 0.000) 0.000 11.689 ( 0.000 0.000 0.000) 0.000 11.864 ( 0.000 0.000 -0.000) 0.000 12.187 ( 0.000 0.000 0.000) 0.000 12.218 ( 0.000 0.000 0.000) 0.000 13.192 ( -0.000 -0.000 -0.000) 0.000 13.274 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 0.000 -0.000) 0.000 15.891 ( 0.000 0.000 0.000) 0.000 16.700 ( 0.000 0.000 0.000) 0.000 16.883 ( 0.000 0.000 0.000) 0.000 17.233 ( 0.000 0.000 -0.000) 0.000 17.725 ( 0.000 0.000 0.000) 0.000 17.946 ( 0.000 0.000 -0.000) 0.000 19.325 ( 0.000 0.000 -0.000) 0.000 19.568 ( 0.000 0.000 -0.000) 0.000 23.520 ( 0.000 0.000 -0.000) 0.000 23.669 ( 0.000 0.000 0.000) 0.000 25.317 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 12 (7/58) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 14.106 24.432 0.000) 28.211 1.395 ( 19.787 34.271 0.000) 39.573 1.885 ( 21.493 37.226 0.000) 42.985 2.435 ( 31.589 54.714 0.000) 63.178 2.938 ( 6.057 10.491 0.000) 12.114 3.042 ( 3.901 6.756 0.000) 7.801 3.195 ( 5.434 9.412 0.000) 10.869 3.357 ( -0.723 -1.253 0.000) 1.447 3.525 ( 8.799 15.240 0.000) 17.598 3.587 ( 1.918 3.323 0.000) 3.837 3.744 ( 11.919 20.645 0.000) 23.839 4.136 ( -1.897 -3.285 0.000) 3.794 4.204 ( -2.064 -3.574 0.000) 4.127 4.356 ( -1.960 -3.395 0.000) 3.920 4.373 ( 1.182 2.048 0.000) 2.365 4.447 ( 8.115 14.056 0.000) 16.231 4.606 ( -5.297 -9.175 0.000) 10.594 4.632 ( -4.366 -7.562 0.000) 8.732 4.723 ( -1.110 -1.922 0.000) 2.220 5.007 ( 2.328 4.033 0.000) 4.657 5.169 ( 0.495 0.858 0.000) 0.991 5.231 ( 1.209 2.094 0.000) 2.418 5.368 ( -0.109 -0.190 0.000) 0.219 5.541 ( -0.314 -0.543 0.000) 0.627 5.589 ( 6.645 11.510 0.000) 13.290 5.653 ( 9.283 16.079 0.000) 18.567 6.235 ( 6.917 11.980 0.000) 13.833 6.420 ( 5.530 9.579 0.000) 11.061 6.910 ( -1.890 -3.274 0.000) 3.781 7.126 ( -2.074 -3.592 0.000) 4.148 7.279 ( -0.367 -0.636 0.000) 0.734 7.560 ( 5.111 8.852 0.000) 10.222 7.783 ( -4.796 -8.307 0.000) 9.592 8.093 ( -2.462 -4.264 0.000) 4.924 8.167 ( 4.694 8.130 0.000) 9.387 8.409 ( -3.577 -6.196 0.000) 7.154 8.626 ( 0.866 1.501 0.000) 1.733 8.809 ( 0.785 1.360 0.000) 1.570 8.932 ( -1.651 -2.859 0.000) 3.301 9.524 ( -3.262 -5.650 0.000) 6.524 9.917 ( -2.767 -4.792 0.000) 5.533 9.929 ( -1.676 -2.903 0.000) 3.352 10.175 ( 3.212 5.564 0.000) 6.425 10.516 ( 4.551 7.882 0.000) 9.102 10.519 ( -2.078 -3.600 0.000) 4.157 11.092 ( 4.215 7.300 0.000) 8.429 11.788 ( 1.129 1.956 0.000) 2.258 12.384 ( -2.017 -3.493 0.000) 4.034 12.452 ( -0.391 -0.677 0.000) 0.781 13.439 ( -6.287 -10.889 0.000) 12.573 13.621 ( -0.131 -0.227 0.000) 0.262 14.188 ( -9.538 -16.520 0.000) 19.075 15.809 ( 9.721 16.838 0.000) 19.443 16.152 ( 0.940 1.628 0.000) 1.880 16.299 ( 3.702 6.413 0.000) 7.405 17.027 ( 2.178 3.772 0.000) 4.355 17.799 ( 0.320 0.554 0.000) 0.639 17.825 ( 1.101 1.907 0.000) 2.202 19.809 ( -6.682 -11.573 0.000) 13.363 19.822 ( -1.382 -2.394 0.000) 2.764 22.715 ( 7.253 12.562 0.000) 14.505 23.907 ( -1.856 -3.216 0.000) 3.713 25.875 ( -4.408 -7.636 0.000) 8.817 ======================= Grid point 13 (8/58) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 19.660 21.563 -2.624) 29.298 2.023 ( 13.438 32.767 0.218) 35.416 2.588 ( 19.235 28.613 -0.913) 34.489 3.069 ( -2.081 16.622 -6.762) 18.065 3.268 ( 6.869 9.507 6.202) 13.267 3.323 ( -0.133 1.836 2.589) 3.177 3.380 ( 8.616 8.847 -4.704) 13.214 3.498 ( 29.392 24.826 4.032) 38.684 3.651 ( 5.434 3.564 0.295) 6.505 3.910 ( 18.372 10.174 -4.851) 21.554 4.035 ( -2.379 -0.703 0.910) 2.643 4.082 ( 3.733 -1.038 -0.461) 3.902 4.178 ( 1.946 5.356 0.441) 5.715 4.303 ( -0.767 -2.829 -0.609) 2.994 4.327 ( 1.071 -1.498 1.844) 2.606 4.379 ( -8.482 -8.716 -2.573) 12.431 4.429 ( -2.876 -9.550 3.926) 10.718 4.689 ( -3.276 7.819 2.656) 8.883 4.883 ( 12.459 13.711 -3.590) 18.871 5.078 ( 3.424 -3.698 -2.381) 5.574 5.170 ( -3.337 0.555 4.225) 5.412 5.249 ( 4.669 1.841 -2.345) 5.540 5.430 ( 4.891 7.604 2.055) 9.272 5.525 ( -0.528 -0.496 0.071) 0.728 5.882 ( 12.705 12.028 2.237) 17.637 6.041 ( 12.564 19.843 0.323) 23.489 6.486 ( 8.657 6.593 0.879) 10.917 6.707 ( 12.245 16.192 -1.733) 20.374 6.833 ( -1.178 -2.123 -7.472) 7.856 7.101 ( 0.732 -0.539 4.661) 4.748 7.246 ( -2.272 0.439 -7.495) 7.844 7.550 ( -7.798 -16.435 2.096) 18.311 7.760 ( 5.545 4.388 3.867) 8.060 7.889 ( -7.140 -9.934 5.633) 13.468 8.313 ( 0.343 9.942 0.982) 9.997 8.393 ( 0.824 5.232 3.339) 6.261 8.639 ( 0.114 -3.207 -6.765) 7.487 8.812 ( -1.947 1.184 7.567) 7.902 8.902 ( 3.810 -4.373 -11.925) 13.260 9.400 ( -4.882 -4.939 -4.770) 8.425 9.747 ( -11.107 -1.733 2.285) 11.471 9.893 ( -0.997 -2.160 4.367) 4.973 10.298 ( 3.389 6.308 6.625) 9.755 10.429 ( -2.904 -5.553 -1.938) 6.559 10.664 ( 6.235 2.276 -5.835) 8.837 11.284 ( 8.639 8.577 5.079) 13.191 11.816 ( 0.835 -0.706 -1.550) 1.897 12.312 ( -2.348 -2.664 0.074) 3.552 12.419 ( -2.561 -1.456 0.058) 2.946 13.249 ( -5.096 -6.196 0.340) 8.030 13.613 ( -1.008 0.583 -0.826) 1.428 13.830 ( -11.994 -15.879 -2.556) 20.064 16.066 ( -0.581 5.822 3.476) 6.806 16.234 ( 7.074 14.015 0.241) 15.701 16.482 ( 10.727 2.868 3.897) 11.768 17.107 ( 2.800 3.269 -5.033) 6.622 17.796 ( -0.380 -1.706 -2.313) 2.899 17.865 ( 1.694 1.085 1.982) 2.824 19.573 ( -7.714 -8.860 0.429) 11.755 19.754 ( -2.937 -3.655 -0.651) 4.734 22.997 ( 10.452 12.158 0.085) 16.033 23.834 ( -2.841 -3.054 -0.245) 4.179 25.688 ( -7.333 -8.970 0.153) 11.586 ======================= Grid point 14 (9/58) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 20.682 17.878 -4.785) 27.754 2.499 ( 6.469 28.943 -0.503) 29.661 3.005 ( -0.053 20.915 -4.250) 21.343 3.216 ( -2.543 7.092 5.071) 9.082 3.263 ( -2.512 5.763 1.373) 6.434 3.441 ( -2.293 17.772 -0.227) 17.921 3.525 ( -0.496 2.536 -0.951) 2.754 3.746 ( 9.829 1.078 0.495) 9.901 3.912 ( -0.282 -3.511 -5.737) 6.732 3.957 ( -1.034 -2.076 0.781) 2.447 4.036 ( 0.258 -3.773 -4.699) 6.032 4.112 ( -5.713 -4.934 0.046) 7.549 4.142 ( -5.043 -1.902 -0.119) 5.391 4.240 ( 5.225 -5.235 6.701) 9.981 4.312 ( 4.690 0.182 -0.641) 4.737 4.406 ( 3.244 3.056 3.707) 5.797 4.724 ( -2.859 10.140 3.242) 11.023 4.841 ( 39.964 11.454 -3.288) 41.703 5.009 ( -1.429 -1.073 2.874) 3.384 5.074 ( -1.802 -4.764 2.958) 5.890 5.273 ( 10.516 7.162 -4.247) 13.413 5.369 ( 9.864 1.990 -2.143) 10.289 5.544 ( -1.185 9.103 -1.553) 9.310 5.720 ( 15.203 9.319 0.113) 17.832 6.203 ( 10.249 8.306 5.601) 14.332 6.372 ( 3.996 15.796 2.865) 16.543 6.585 ( 0.902 -1.149 -2.025) 2.497 6.861 ( 4.124 -1.817 -2.405) 5.108 7.074 ( -9.867 -8.099 1.377) 12.840 7.102 ( 7.641 -1.296 -8.169) 11.261 7.216 ( 13.018 10.027 -0.915) 16.458 7.314 ( -0.090 -6.302 -2.693) 6.854 7.590 ( -12.495 0.157 2.591) 12.761 7.948 ( 6.727 -1.311 9.086) 11.381 8.350 ( -6.873 9.617 9.317) 15.051 8.469 ( 1.441 2.513 1.584) 3.302 8.563 ( -5.417 -0.718 -6.098) 8.188 8.842 ( 4.977 -0.504 -3.365) 6.029 8.916 ( 3.028 -6.688 -7.727) 10.658 9.280 ( -4.758 -0.810 -8.764) 10.005 9.534 ( -11.508 -0.672 5.598) 12.815 9.850 ( -5.627 5.189 5.726) 9.559 10.320 ( -1.193 -8.094 -3.023) 8.722 10.391 ( 0.948 3.951 8.652) 9.558 10.789 ( 7.815 -0.560 -6.900) 10.440 11.523 ( 8.730 6.578 3.123) 11.369 11.795 ( 1.144 -5.625 -0.544) 5.766 12.263 ( -2.381 0.853 0.221) 2.539 12.332 ( -4.722 -2.986 -0.644) 5.624 13.153 ( -1.142 -2.596 0.860) 2.964 13.493 ( -9.073 -12.817 -2.460) 15.895 13.604 ( -2.066 1.732 -1.288) 2.988 16.039 ( -7.006 7.593 3.601) 10.941 16.527 ( 9.327 10.186 2.062) 13.964 16.693 ( 9.939 2.839 4.439) 11.249 17.177 ( 2.394 1.446 -5.355) 6.042 17.747 ( -1.165 -5.136 -3.914) 6.562 17.901 ( 1.850 -0.215 2.246) 2.918 19.399 ( -4.519 -4.180 0.402) 6.169 19.654 ( -3.700 -4.491 -0.646) 5.854 23.290 ( 9.903 10.276 -0.206) 14.272 23.756 ( -3.004 -2.165 -0.244) 3.711 25.467 ( -7.198 -8.905 0.273) 11.454 ======================= Grid point 15 (10/58) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 14.229 11.476 -4.359) 18.793 2.811 ( -0.763 21.427 -0.730) 21.453 3.065 ( -9.348 -3.946 3.723) 10.808 3.106 ( -9.970 19.555 -1.322) 21.989 3.259 ( -10.477 13.050 2.192) 16.878 3.477 ( -0.446 -2.363 -0.468) 2.450 3.605 ( -3.687 15.923 -0.061) 16.345 3.810 ( -0.431 -4.895 -6.468) 8.123 3.909 ( 2.850 -0.744 1.997) 3.559 3.944 ( 2.479 -0.860 0.779) 2.738 3.966 ( -0.141 -2.702 0.598) 2.771 4.037 ( -1.633 -1.151 -0.488) 2.056 4.045 ( -3.758 -0.326 -0.295) 3.783 4.258 ( 5.127 -3.143 2.031) 6.348 4.372 ( -0.446 -4.361 1.688) 4.697 4.558 ( 5.397 7.741 -1.621) 9.575 4.703 ( -4.340 3.962 0.213) 5.880 4.937 ( -3.105 -1.309 2.936) 4.469 5.052 ( 0.053 0.799 1.455) 1.661 5.277 ( 4.433 -8.545 -1.729) 9.780 5.541 ( 11.233 2.815 4.037) 12.264 5.673 ( 5.701 10.705 -7.672) 14.351 5.776 ( 23.740 9.209 -1.333) 25.498 6.028 ( 10.997 9.022 -1.519) 14.305 6.331 ( 2.654 -0.967 6.729) 7.298 6.522 ( 5.480 -4.628 1.172) 7.268 6.564 ( -10.995 -18.080 -2.050) 21.260 6.583 ( -4.502 -13.280 -1.077) 14.064 6.888 ( -2.241 6.247 5.157) 8.405 7.155 ( -1.028 -0.765 -4.516) 4.694 7.276 ( 0.904 -4.086 -2.269) 4.761 7.469 ( -10.039 14.531 1.856) 17.759 7.708 ( 20.158 11.736 -4.414) 23.740 7.990 ( -0.984 -4.398 1.747) 4.833 8.284 ( -10.150 8.201 9.100) 15.909 8.461 ( -0.832 -1.130 -0.709) 1.572 8.482 ( -3.698 0.419 -0.594) 3.769 8.830 ( 2.320 -9.861 -2.693) 10.482 8.984 ( 3.765 3.634 -5.229) 7.398 9.248 ( -0.892 4.784 -7.718) 9.124 9.353 ( -8.264 -1.170 7.615) 11.298 9.814 ( -8.025 11.777 2.836) 14.531 10.243 ( 2.623 -8.975 -1.709) 9.505 10.419 ( -0.335 1.494 3.542) 3.859 10.905 ( 5.796 -2.024 -2.222) 6.529 11.626 ( 2.466 -4.882 -2.454) 5.995 11.827 ( 5.264 0.524 3.577) 6.386 12.192 ( -3.888 -3.311 -0.278) 5.114 12.265 ( -2.031 2.440 -0.752) 3.263 13.152 ( 2.783 -0.962 1.301) 3.219 13.272 ( -4.007 -8.148 -1.802) 9.257 13.592 ( -2.033 2.837 -0.503) 3.526 16.005 ( -6.584 9.422 1.397) 11.579 16.710 ( 2.261 5.697 0.882) 6.192 16.852 ( 4.644 1.735 2.920) 5.754 17.214 ( 1.475 -0.719 -2.292) 2.819 17.678 ( 1.180 -7.071 -2.444) 7.574 17.921 ( 1.381 -1.314 0.940) 2.125 19.334 ( -1.065 -0.401 0.191) 1.154 19.561 ( -1.419 -3.604 -0.294) 3.884 23.510 ( 4.718 6.557 -0.195) 8.080 23.689 ( -2.662 -1.161 -0.070) 2.905 25.302 ( -2.040 -6.230 0.156) 6.557 ======================= Grid point 23 (11/58) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 13.724 23.770 0.000) 27.447 2.625 ( 14.819 25.668 0.000) 29.639 3.158 ( 15.439 26.741 0.000) 30.878 3.270 ( -0.911 -1.577 0.000) 1.821 3.365 ( 4.605 7.976 0.000) 9.210 3.520 ( 4.603 7.973 0.000) 9.206 3.562 ( 5.528 9.575 0.000) 11.056 3.756 ( 6.340 10.981 0.000) 12.680 3.841 ( 3.180 5.508 0.000) 6.360 3.952 ( -1.203 -2.083 0.000) 2.405 4.002 ( -2.189 -3.791 0.000) 4.378 4.139 ( -3.331 -5.770 0.000) 6.663 4.180 ( -3.427 -5.936 0.000) 6.855 4.184 ( -4.320 -7.482 0.000) 8.640 4.274 ( -2.257 -3.909 0.000) 4.514 4.331 ( 14.566 25.228 0.000) 29.131 4.464 ( 3.869 6.701 0.000) 7.738 4.912 ( -2.407 -4.169 0.000) 4.814 4.937 ( 9.314 16.132 0.000) 18.628 5.115 ( -2.728 -4.726 0.000) 5.457 5.138 ( 4.171 7.224 0.000) 8.341 5.309 ( -1.154 -1.999 0.000) 2.308 5.592 ( 4.232 7.330 0.000) 8.464 5.647 ( 9.489 16.435 0.000) 18.978 6.135 ( 6.852 11.868 0.000) 13.704 6.460 ( 9.445 16.360 0.000) 18.890 6.572 ( 0.740 1.282 0.000) 1.480 6.808 ( 1.213 2.100 0.000) 2.425 7.012 ( 2.275 3.941 0.000) 4.551 7.120 ( -6.360 -11.015 0.000) 12.719 7.134 ( 2.887 5.000 0.000) 5.774 7.285 ( -1.321 -2.288 0.000) 2.642 7.711 ( -2.859 -4.952 0.000) 5.718 7.867 ( 2.427 4.205 0.000) 4.855 8.471 ( 2.062 3.572 0.000) 4.125 8.478 ( 0.915 1.585 0.000) 1.830 8.630 ( 2.495 4.321 0.000) 4.990 8.788 ( -1.352 -2.342 0.000) 2.704 8.834 ( -1.534 -2.658 0.000) 3.069 9.284 ( -3.234 -5.601 0.000) 6.467 9.735 ( -1.668 -2.889 0.000) 3.335 9.869 ( 1.429 2.474 0.000) 2.857 10.286 ( -4.839 -8.381 0.000) 9.677 10.433 ( 3.493 6.051 0.000) 6.987 10.683 ( 0.310 0.536 0.000) 0.619 11.473 ( 5.681 9.840 0.000) 11.362 11.751 ( -3.195 -5.534 0.000) 6.391 12.288 ( 0.220 0.380 0.000) 0.439 12.363 ( -2.666 -4.618 0.000) 5.332 13.150 ( -2.063 -3.574 0.000) 4.127 13.503 ( -8.661 -15.001 0.000) 17.322 13.636 ( 0.368 0.638 0.000) 0.736 16.183 ( 2.564 4.440 0.000) 5.127 16.504 ( 7.359 12.745 0.000) 14.717 16.577 ( 4.443 7.696 0.000) 8.886 17.163 ( 1.169 2.025 0.000) 2.338 17.724 ( -3.295 -5.707 0.000) 6.590 17.883 ( 0.431 0.746 0.000) 0.862 19.419 ( -3.490 -6.044 0.000) 6.979 19.663 ( -3.149 -5.454 0.000) 6.298 23.255 ( 7.645 13.241 0.000) 15.289 23.773 ( -1.696 -2.938 0.000) 3.393 25.483 ( -6.414 -11.110 0.000) 12.828 ======================= Grid point 24 (12/58) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 14.259 18.574 -2.219) 23.521 3.021 ( 4.538 20.564 0.264) 21.061 3.196 ( -6.746 -1.358 1.811) 7.115 3.410 ( -6.862 4.213 2.146) 8.333 3.459 ( -2.884 4.885 -1.988) 6.011 3.611 ( 2.386 16.984 -1.503) 17.217 3.770 ( 0.940 5.638 -5.308) 7.800 3.809 ( -1.908 0.021 4.203) 4.616 3.905 ( -0.115 4.025 -0.568) 4.067 3.921 ( -0.261 -1.109 1.166) 1.630 3.970 ( -3.194 9.232 -0.807) 9.802 4.048 ( -2.750 -1.747 0.396) 3.282 4.109 ( -2.559 -0.187 -0.169) 2.571 4.142 ( 2.304 0.902 -0.113) 2.477 4.317 ( 5.799 0.053 2.295) 6.237 4.541 ( 2.761 8.782 -1.674) 9.357 4.804 ( 1.326 -1.666 2.651) 3.400 4.898 ( 21.004 -3.053 -5.703) 21.978 5.016 ( -4.439 0.207 4.104) 6.049 5.169 ( -2.687 6.095 0.452) 6.676 5.245 ( 5.920 4.076 2.082) 7.483 5.482 ( 24.005 7.511 0.376) 25.155 5.742 ( 3.852 6.708 -3.651) 8.554 5.964 ( 6.968 13.780 -3.350) 15.801 6.254 ( 0.839 -7.843 5.509) 9.621 6.469 ( -6.273 -10.542 0.698) 12.287 6.505 ( -3.184 -8.644 -3.102) 9.721 6.644 ( -12.648 -14.847 2.949) 19.726 6.971 ( 3.590 11.451 2.278) 12.215 7.158 ( -1.478 1.856 -5.459) 5.952 7.276 ( -1.200 2.836 -1.110) 3.273 7.443 ( 20.690 8.544 0.635) 22.393 7.727 ( -2.380 13.228 1.775) 13.557 7.936 ( 3.657 -0.603 -0.900) 3.814 8.456 ( -4.015 0.971 2.925) 5.061 8.464 ( -1.310 -1.937 -0.403) 2.373 8.634 ( -8.232 1.875 5.135) 9.882 8.727 ( -1.474 -7.080 -1.512) 7.389 8.921 ( 9.541 7.738 -6.478) 13.888 9.219 ( 0.431 -2.050 -1.606) 2.640 9.616 ( -12.544 5.207 2.365) 13.786 9.963 ( 4.968 0.709 -0.550) 5.049 10.132 ( -3.481 -5.301 -1.635) 6.549 10.486 ( -3.920 5.415 8.688) 10.962 10.740 ( 8.331 -4.146 -6.535) 11.371 11.556 ( -1.691 -6.797 -1.083) 7.088 11.730 ( 6.536 3.983 1.886) 7.883 12.231 ( -5.503 -6.841 -0.140) 8.781 12.310 ( -0.048 2.547 -0.319) 2.567 13.109 ( 0.300 -1.710 0.756) 1.894 13.255 ( -4.965 -10.061 -0.929) 11.258 13.650 ( -0.802 2.453 -0.330) 2.602 16.227 ( -4.827 9.569 0.370) 10.724 16.728 ( 4.929 9.858 1.913) 11.186 16.766 ( 8.163 5.465 1.310) 9.910 17.182 ( 0.669 -1.086 -1.629) 2.069 17.582 ( -2.461 -11.278 -1.683) 11.666 17.894 ( 0.638 -0.293 0.486) 0.854 19.346 ( -1.030 -1.041 0.186) 1.476 19.551 ( -2.851 -5.646 -0.220) 6.329 23.496 ( 6.188 9.935 -0.114) 11.705 23.720 ( -1.957 -1.438 -0.052) 2.429 25.276 ( -4.561 -9.608 0.100) 10.637 ======================= Grid point 25 (13/58) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -3.481 6.030 0.000) 6.962 3.036 ( -1.293 2.239 -0.000) 2.586 3.202 ( -9.566 16.569 0.000) 19.132 3.326 ( 3.478 -6.025 -0.000) 6.957 3.476 ( -5.670 9.820 0.000) 11.339 3.662 ( -7.325 12.687 -0.000) 14.650 3.776 ( -3.824 6.623 -0.000) 7.647 3.828 ( -0.837 1.449 -0.000) 1.674 3.904 ( 1.531 -2.651 -0.000) 3.061 3.926 ( 0.269 -0.466 0.000) 0.538 4.002 ( -5.067 8.776 0.000) 10.134 4.020 ( -2.530 4.382 -0.000) 5.060 4.082 ( -4.225 7.318 0.000) 8.450 4.272 ( -0.991 1.716 -0.000) 1.981 4.278 ( 0.489 -0.847 0.000) 0.979 4.693 ( 1.611 -2.790 -0.000) 3.221 4.745 ( -4.504 7.801 -0.000) 9.008 4.983 ( -3.344 5.792 0.000) 6.688 5.069 ( 7.004 -12.132 0.000) 14.008 5.076 ( 0.011 -0.020 -0.000) 0.023 5.611 ( 0.627 -1.086 -0.000) 1.254 5.680 ( 2.027 -3.511 0.000) 4.054 5.918 ( -0.019 0.034 -0.000) 0.039 6.029 ( 7.667 -13.279 -0.000) 15.333 6.119 ( 2.743 -4.752 0.000) 5.487 6.312 ( 7.368 -12.762 0.000) 14.736 6.402 ( 3.251 -5.631 0.000) 6.502 6.437 ( -2.758 4.776 -0.000) 5.515 7.068 ( -3.417 5.918 -0.000) 6.834 7.175 ( -0.812 1.407 0.000) 1.624 7.257 ( -3.747 6.491 0.000) 7.495 7.710 ( -2.019 3.497 0.000) 4.038 7.874 ( -2.819 4.883 0.000) 5.638 7.905 ( 0.685 -1.186 -0.000) 1.370 8.381 ( -1.042 1.805 -0.000) 2.085 8.459 ( -0.033 0.057 0.000) 0.066 8.541 ( -2.621 4.540 0.000) 5.242 8.664 ( 3.927 -6.802 -0.000) 7.854 9.087 ( -4.339 7.515 0.000) 8.678 9.240 ( 0.183 -0.316 -0.000) 0.365 9.479 ( -4.885 8.461 -0.000) 9.770 9.999 ( 8.611 -14.916 -0.000) 17.223 10.093 ( -8.194 14.193 0.000) 16.389 10.467 ( -2.173 3.764 -0.000) 4.347 10.809 ( 4.445 -7.699 0.000) 8.890 11.482 ( 4.079 -7.065 -0.000) 8.158 11.857 ( -0.613 1.061 -0.000) 1.226 12.107 ( 2.377 -4.117 0.000) 4.754 12.324 ( -1.500 2.598 -0.000) 3.000 13.122 ( 1.344 -2.328 0.000) 2.688 13.144 ( 2.068 -3.582 -0.000) 4.136 13.656 ( -1.691 2.929 0.000) 3.382 16.230 ( -6.498 11.256 -0.000) 12.997 16.827 ( -3.325 5.759 -0.000) 6.650 16.886 ( -1.172 2.030 0.000) 2.344 17.179 ( 1.437 -2.489 0.000) 2.875 17.483 ( 6.528 -11.307 0.000) 13.057 17.898 ( 0.470 -0.813 -0.000) 0.939 19.341 ( -0.569 0.985 0.000) 1.137 19.487 ( 2.028 -3.513 0.000) 4.056 23.624 ( -2.367 4.099 0.000) 4.733 23.679 ( -0.211 0.366 0.000) 0.422 25.181 ( 3.021 -5.233 0.000) 6.042 ======================= Grid point 35 (14/58) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 8.021 13.893 0.000) 16.043 3.153 ( -3.895 -6.746 0.000) 7.789 3.159 ( -1.978 -3.426 0.000) 3.956 3.403 ( 4.556 7.891 0.000) 9.112 3.548 ( -0.990 -1.715 0.000) 1.980 3.769 ( 2.291 3.969 0.000) 4.583 3.788 ( 0.663 1.149 0.000) 1.326 3.853 ( -1.083 -1.877 0.000) 2.167 3.871 ( -0.090 -0.155 0.000) 0.180 3.906 ( -2.284 -3.956 0.000) 4.568 4.031 ( -1.864 -3.228 0.000) 3.727 4.164 ( 6.275 10.868 0.000) 12.550 4.280 ( 8.568 14.839 0.000) 17.135 4.285 ( -0.479 -0.829 0.000) 0.957 4.408 ( 4.234 7.334 0.000) 8.469 4.740 ( -4.477 -7.755 0.000) 8.954 4.747 ( 6.698 11.600 0.000) 13.395 4.846 ( 3.192 5.528 0.000) 6.383 5.035 ( -0.786 -1.361 0.000) 1.572 5.043 ( -4.246 -7.354 0.000) 8.492 5.577 ( 6.841 11.849 0.000) 13.683 5.674 ( 10.393 18.001 0.000) 20.785 5.865 ( -11.610 -20.109 0.000) 23.220 5.868 ( 3.060 5.300 0.000) 6.119 6.087 ( -3.397 -5.884 0.000) 6.794 6.149 ( -10.676 -18.491 0.000) 21.351 6.368 ( 0.656 1.137 0.000) 1.313 6.494 ( -3.492 -6.049 0.000) 6.984 7.115 ( 2.012 3.485 0.000) 4.024 7.189 ( 0.628 1.087 0.000) 1.256 7.457 ( 4.661 8.073 0.000) 9.322 7.579 ( 3.895 6.746 0.000) 7.789 7.892 ( -1.752 -3.035 0.000) 3.504 7.986 ( 4.981 8.628 0.000) 9.963 8.414 ( -1.182 -2.048 0.000) 2.365 8.445 ( -1.096 -1.899 0.000) 2.193 8.563 ( -1.350 -2.337 0.000) 2.699 8.604 ( -3.437 -5.953 0.000) 6.874 9.216 ( 0.502 0.869 0.000) 1.004 9.230 ( 11.048 19.136 0.000) 22.097 9.681 ( -0.699 -1.211 0.000) 1.399 9.702 ( -9.117 -15.791 0.000) 18.234 10.263 ( 5.023 8.700 0.000) 10.046 10.571 ( 0.455 0.788 0.000) 0.910 10.650 ( -1.535 -2.659 0.000) 3.071 11.405 ( -3.075 -5.326 0.000) 6.150 11.862 ( 4.369 7.567 0.000) 8.738 12.064 ( -5.127 -8.881 0.000) 10.255 12.352 ( 0.692 1.199 0.000) 1.384 13.088 ( -0.135 -0.234 0.000) 0.270 13.118 ( -2.139 -3.705 0.000) 4.278 13.688 ( 0.616 1.067 0.000) 1.233 16.360 ( 1.876 3.249 0.000) 3.751 16.901 ( 3.879 6.718 0.000) 7.758 16.918 ( 4.424 7.663 0.000) 8.848 17.148 ( -0.499 -0.865 0.000) 0.998 17.332 ( -7.068 -12.242 0.000) 14.136 17.890 ( -0.059 -0.102 0.000) 0.118 19.358 ( 1.149 1.990 0.000) 2.298 19.444 ( -2.625 -4.546 0.000) 5.249 23.653 ( 2.893 5.012 0.000) 5.787 23.698 ( -0.513 -0.888 0.000) 1.025 25.124 ( -2.682 -4.645 0.000) 5.363 ======================= Grid point 109 (15/58) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -0.000 0.000 29.322) 29.322 0.571 ( 0.000 0.000 29.322) 29.322 0.918 ( 0.000 0.000 20.713) 20.713 1.432 ( 0.000 0.000 73.388) 73.388 2.399 ( 0.000 -0.000 -24.225) 24.225 2.399 ( 0.000 0.000 -24.225) 24.225 3.040 ( 0.000 0.000 -15.258) 15.258 3.168 ( -0.000 0.000 12.880) 12.880 3.168 ( 0.000 0.000 12.880) 12.880 3.432 ( 0.000 0.000 3.540) 3.540 3.698 ( 0.000 0.000 -1.309) 1.309 4.000 ( 0.000 0.000 7.615) 7.615 4.229 ( 0.000 0.000 -4.834) 4.834 4.229 ( 0.000 -0.000 -4.834) 4.834 4.454 ( 0.000 0.000 0.989) 0.989 4.454 ( 0.000 0.000 0.989) 0.989 4.735 ( 0.000 0.000 -3.995) 3.995 4.735 ( 0.000 0.000 -3.995) 3.995 4.909 ( 0.000 0.000 -22.505) 22.505 4.918 ( 0.000 0.000 -0.627) 0.627 5.088 ( 0.000 -0.000 0.626) 0.626 5.088 ( 0.000 -0.000 0.626) 0.626 5.293 ( 0.000 0.000 -11.964) 11.964 5.441 ( 0.000 0.000 12.055) 12.055 5.441 ( 0.000 -0.000 12.055) 12.055 5.483 ( 0.000 0.000 -3.499) 3.499 6.147 ( 0.000 0.000 -8.285) 8.285 6.306 ( 0.000 0.000 5.729) 5.729 6.306 ( 0.000 0.000 5.729) 5.729 7.090 ( 0.000 0.000 -17.317) 17.317 7.090 ( 0.000 0.000 -17.317) 17.317 7.771 ( 0.000 0.000 26.880) 26.880 7.979 ( 0.000 0.000 4.814) 4.814 7.979 ( 0.000 0.000 4.814) 4.814 8.142 ( 0.000 0.000 6.097) 6.097 8.142 ( 0.000 0.000 6.097) 6.097 8.877 ( 0.000 -0.000 6.167) 6.167 8.877 ( 0.000 0.000 6.167) 6.167 9.530 ( 0.000 -0.000 -11.773) 11.773 9.530 ( 0.000 0.000 -11.773) 11.773 9.682 ( 0.000 0.000 -9.760) 9.760 9.983 ( 0.000 0.000 -2.960) 2.960 9.983 ( -0.000 0.000 -2.960) 2.960 10.660 ( 0.000 0.000 5.349) 5.349 10.660 ( 0.000 0.000 5.349) 5.349 11.761 ( 0.000 0.000 1.964) 1.964 12.036 ( 0.000 0.000 -0.788) 0.788 12.457 ( 0.000 0.000 -0.306) 0.306 12.457 ( 0.000 0.000 -0.306) 0.306 13.647 ( 0.000 0.000 1.675) 1.675 13.647 ( 0.000 0.000 1.675) 1.675 13.778 ( 0.000 0.000 0.449) 0.449 16.037 ( 0.000 0.000 -8.310) 8.310 16.037 ( 0.000 0.000 -8.310) 8.310 16.754 ( 0.000 0.000 -0.133) 0.133 17.047 ( 0.000 -0.000 9.083) 9.083 17.047 ( 0.000 0.000 9.083) 9.083 17.750 ( 0.000 0.000 -2.540) 2.540 17.750 ( -0.000 0.000 -2.540) 2.540 20.097 ( 0.000 0.000 -0.022) 0.022 21.468 ( 0.000 0.000 0.106) 0.106 25.097 ( 0.000 0.000 -0.763) 0.763 26.042 ( 0.000 0.000 0.627) 0.627 ======================= Grid point 110 (16/58) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 26.256 15.159 16.950) 34.735 1.156 ( 20.825 12.023 32.838) 40.701 1.393 ( 32.823 18.951 13.189) 40.130 1.759 ( 37.110 21.425 38.613) 57.681 2.415 ( 4.607 2.660 -21.549) 22.196 2.775 ( 20.838 12.031 -23.560) 33.676 3.183 ( 7.411 4.279 -6.996) 11.054 3.240 ( 8.817 5.091 6.006) 11.821 3.316 ( 13.402 7.737 3.564) 15.880 3.419 ( -0.745 -0.430 3.546) 3.649 3.650 ( -1.275 -0.736 2.724) 3.097 4.137 ( 3.636 2.099 2.884) 5.094 4.208 ( 7.316 4.224 0.408) 8.458 4.244 ( -0.701 -0.405 -2.783) 2.898 4.398 ( -3.681 -2.125 -0.151) 4.253 4.439 ( -1.796 -1.037 0.677) 2.182 4.581 ( -7.324 -4.228 -11.981) 14.665 4.732 ( -0.714 -0.412 -3.623) 3.716 4.797 ( -4.263 -2.461 -3.179) 5.859 4.944 ( 0.912 0.527 1.625) 1.936 5.145 ( 5.630 3.250 0.224) 6.504 5.189 ( 1.861 1.075 -5.818) 6.203 5.314 ( 3.485 2.012 -7.126) 8.184 5.463 ( -1.050 -0.606 -1.756) 2.134 5.505 ( 7.166 4.137 8.782) 12.066 5.588 ( 8.890 5.133 12.292) 16.015 6.070 ( 2.176 1.257 -1.044) 2.721 6.283 ( 1.395 0.805 1.530) 2.222 6.731 ( 12.345 7.128 -8.449) 16.571 6.994 ( -2.965 -1.712 -19.449) 19.748 7.218 ( 4.205 2.428 -10.672) 11.724 7.718 ( 0.630 0.364 17.655) 17.670 7.973 ( -2.192 -1.265 5.792) 6.321 8.027 ( 4.805 2.774 2.539) 6.101 8.107 ( -0.620 -0.358 4.454) 4.511 8.335 ( 8.603 4.967 5.617) 11.412 8.766 ( -5.538 -3.197 2.962) 7.048 8.865 ( -4.886 -2.821 8.178) 9.935 9.326 ( -15.739 -9.087 13.893) 22.876 9.478 ( -3.798 -2.193 -9.925) 10.851 9.753 ( 4.648 2.683 -20.161) 20.863 9.870 ( -1.011 -0.584 -9.930) 9.999 10.014 ( 0.144 0.083 -2.868) 2.873 10.618 ( -0.243 -0.140 9.953) 9.957 10.619 ( -3.047 -1.759 5.225) 6.299 11.439 ( -9.359 -5.403 28.024) 30.036 11.765 ( -0.210 -0.121 1.063) 1.090 12.432 ( -2.090 -1.207 -0.255) 2.427 12.461 ( -0.048 -0.028 0.166) 0.176 13.540 ( -7.739 -4.468 -6.432) 11.011 13.629 ( -1.076 -0.621 1.167) 1.705 14.515 ( 3.350 1.934 7.672) 8.592 15.273 ( 0.880 0.508 -14.836) 14.870 16.099 ( 2.235 1.291 -6.310) 6.818 16.484 ( 3.304 1.908 14.161) 14.666 16.971 ( -2.540 -1.467 5.981) 6.662 17.737 ( 0.049 0.029 -3.196) 3.196 17.805 ( 3.126 1.805 -0.886) 3.717 18.958 ( 50.358 29.074 -55.111) 80.115 19.995 ( -8.422 -4.862 0.061) 9.725 21.867 ( 28.308 16.344 -19.994) 38.317 24.611 ( -26.295 -15.182 23.194) 38.209 25.986 ( -4.691 -2.708 0.600) 5.450 ======================= Grid point 111 (17/58) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 13.397 7.735 38.055) 41.079 1.589 ( 24.146 13.941 8.521) 29.154 2.151 ( 29.841 17.229 5.431) 34.883 2.593 ( 11.068 6.390 -13.932) 18.906 2.781 ( 38.754 22.375 -4.152) 44.942 3.246 ( 21.917 12.654 -2.201) 25.404 3.284 ( 2.553 1.474 2.259) 3.714 3.408 ( 1.657 0.957 3.679) 4.147 3.534 ( 14.183 8.188 -4.914) 17.098 3.691 ( 5.889 3.400 4.100) 7.941 3.771 ( 21.813 12.593 -6.896) 26.114 4.087 ( -2.897 -1.673 -1.517) 3.673 4.198 ( -3.279 -1.893 0.880) 3.887 4.323 ( -2.125 -1.227 -2.105) 3.233 4.383 ( -2.451 -1.415 0.111) 2.832 4.438 ( -5.341 -3.084 -6.456) 8.928 4.534 ( 10.725 6.192 4.351) 13.126 4.694 ( -4.570 -2.639 1.730) 5.553 4.722 ( 2.849 1.645 1.940) 3.819 5.013 ( 7.153 4.130 0.191) 8.262 5.154 ( -3.102 -1.791 -7.675) 8.470 5.328 ( 9.832 5.677 2.978) 11.737 5.378 ( -0.814 -0.470 -4.828) 4.918 5.438 ( -1.630 -0.941 0.437) 1.933 5.765 ( 14.791 8.539 3.072) 17.353 5.814 ( 12.401 7.160 8.743) 16.777 6.292 ( 16.043 9.262 -0.197) 18.525 6.382 ( 7.731 4.463 -3.604) 9.627 6.849 ( -8.649 -4.994 -13.314) 16.643 6.870 ( 2.198 1.269 -3.136) 4.035 7.284 ( 1.653 0.954 -1.038) 2.172 7.828 ( 4.663 2.692 4.968) 7.326 7.878 ( -5.975 -3.450 6.664) 9.592 8.122 ( 1.881 1.086 -0.267) 2.188 8.148 ( 5.131 2.963 3.833) 7.057 8.435 ( 0.700 0.404 13.578) 13.602 8.627 ( -6.473 -3.737 0.674) 7.505 8.778 ( -0.211 -0.122 -0.093) 0.261 8.992 ( -12.200 -7.044 5.397) 15.086 9.349 ( -7.578 -4.375 -8.028) 11.874 9.707 ( -5.635 -3.253 -11.015) 12.793 9.997 ( -1.465 -0.846 -2.287) 2.845 10.073 ( 13.486 7.786 -14.345) 21.173 10.523 ( -5.259 -3.036 4.325) 7.455 10.671 ( 3.525 2.035 9.621) 10.447 11.442 ( 4.355 2.514 17.373) 18.086 11.768 ( 1.009 0.582 -1.390) 1.814 12.367 ( -3.456 -1.996 -0.152) 3.994 12.445 ( -1.637 -0.945 0.413) 1.935 13.344 ( -8.188 -4.727 -3.042) 9.932 13.599 ( -1.485 -0.857 0.314) 1.743 14.106 ( -20.882 -12.056 5.261) 24.679 15.832 ( 28.303 16.341 -6.374) 33.297 16.128 ( 0.120 0.069 -1.304) 1.312 16.592 ( 5.532 3.194 8.351) 10.514 16.940 ( -0.003 -0.002 -0.013) 0.014 17.740 ( -0.026 -0.015 -2.928) 2.928 17.885 ( 3.578 2.066 0.993) 4.249 19.515 ( 9.071 5.237 -23.636) 25.853 19.751 ( -11.789 -6.806 0.052) 13.613 22.486 ( 23.851 13.770 -19.700) 33.861 24.152 ( -14.494 -8.368 16.876) 23.768 25.836 ( -8.200 -4.734 0.658) 9.491 ======================= Grid point 112 (18/58) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 17.896 10.332 23.872) 31.573 2.078 ( 18.390 10.617 3.507) 21.522 2.634 ( 12.894 7.444 -4.559) 15.571 2.953 ( 18.468 10.663 -1.703) 21.393 3.260 ( 9.355 5.401 -11.957) 16.114 3.301 ( -1.240 -0.716 1.137) 1.828 3.359 ( -1.057 -0.610 -0.386) 1.280 3.684 ( 3.352 1.936 -2.612) 4.670 3.855 ( 11.229 6.483 4.314) 13.665 3.995 ( 7.524 4.344 -2.372) 9.006 3.997 ( -1.651 -0.953 -1.365) 2.345 4.124 ( 1.654 0.955 -1.654) 2.527 4.173 ( 1.937 1.119 0.152) 2.242 4.241 ( 0.442 0.255 0.262) 0.574 4.379 ( 2.277 1.315 -0.585) 2.694 4.537 ( 19.061 11.005 0.504) 22.016 4.608 ( 0.452 0.261 8.433) 8.449 4.613 ( 3.365 1.943 0.072) 3.886 4.942 ( 13.604 7.854 0.930) 15.736 5.094 ( -1.460 -0.843 -2.956) 3.403 5.242 ( -8.917 -5.148 0.867) 10.333 5.284 ( 13.953 8.056 5.581) 17.050 5.450 ( 2.656 1.534 -6.214) 6.930 5.591 ( 12.672 7.316 3.078) 14.953 6.112 ( 13.900 8.025 -0.387) 16.055 6.149 ( 14.868 8.584 6.013) 18.190 6.583 ( -6.396 -3.693 -9.385) 11.942 6.662 ( 16.508 9.531 -10.008) 21.529 6.725 ( 14.129 8.158 7.308) 17.877 6.938 ( 2.762 1.595 -9.730) 10.240 7.297 ( -0.540 -0.312 6.436) 6.466 7.708 ( -8.484 -4.898 9.048) 13.336 7.736 ( -12.223 -7.057 4.784) 14.902 8.186 ( 3.424 1.977 -4.697) 6.139 8.292 ( 5.599 3.233 10.678) 12.483 8.440 ( 0.475 0.274 1.499) 1.596 8.486 ( -5.125 -2.959 0.530) 5.941 8.706 ( -6.334 -3.657 -7.272) 10.314 8.917 ( 5.192 2.998 -0.225) 6.000 9.130 ( -11.357 -6.557 -7.302) 15.010 9.556 ( -7.026 -4.056 -8.634) 11.848 9.953 ( -2.341 -1.351 0.641) 2.778 10.382 ( 12.364 7.139 -4.872) 15.086 10.387 ( -6.183 -3.570 1.498) 7.294 10.751 ( 3.722 2.149 8.833) 9.823 11.524 ( 1.977 1.142 2.789) 3.605 11.838 ( 5.046 2.913 3.674) 6.888 12.284 ( -3.521 -2.033 -0.010) 4.066 12.374 ( -4.650 -2.685 -0.351) 5.381 13.202 ( -3.863 -2.230 -1.119) 4.598 13.564 ( -1.472 -0.850 -0.680) 1.830 13.697 ( -14.852 -8.575 2.500) 17.331 16.102 ( -2.345 -1.354 4.158) 4.962 16.375 ( 18.123 10.464 2.748) 21.107 16.725 ( 5.896 3.404 2.487) 7.248 16.971 ( 2.542 1.468 -6.182) 6.843 17.734 ( -0.338 -0.195 -0.923) 1.003 17.959 ( 2.746 1.586 2.667) 4.144 19.502 ( -9.132 -5.272 -0.369) 10.551 19.598 ( 0.085 0.049 -10.136) 10.137 22.961 ( 17.966 10.373 -11.105) 23.531 23.898 ( -8.391 -4.844 7.385) 12.182 25.625 ( -9.698 -5.599 0.771) 11.225 ======================= Grid point 113 (19/58) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 18.786 10.846 12.758) 25.166 2.433 ( 12.685 7.324 -0.762) 14.667 2.850 ( 6.431 3.713 -2.587) 7.863 3.205 ( -3.712 -2.143 3.051) 5.261 3.246 ( -6.578 -3.798 4.291) 8.724 3.314 ( 8.737 5.045 -3.980) 10.846 3.430 ( 3.042 1.756 -9.301) 9.942 3.721 ( 1.803 1.041 -1.576) 2.611 3.943 ( -0.872 -0.503 -0.860) 1.324 3.968 ( -0.434 -0.251 -0.053) 0.504 4.027 ( 0.755 0.436 2.044) 2.222 4.056 ( -4.381 -2.529 0.061) 5.059 4.067 ( -3.421 -1.975 -0.353) 3.966 4.397 ( -0.242 -0.140 -1.228) 1.259 4.406 ( 5.295 3.057 0.496) 6.135 4.490 ( -3.436 -1.984 6.017) 7.207 4.683 ( 1.141 0.658 1.952) 2.355 5.014 ( -6.904 -3.986 -2.454) 8.342 5.084 ( -2.000 -1.155 -1.012) 2.522 5.299 ( 24.014 13.864 -2.275) 27.822 5.318 ( 16.363 9.447 -1.694) 18.970 5.573 ( 10.561 6.098 10.876) 16.341 5.607 ( 16.855 9.731 7.200) 20.752 5.849 ( 8.700 5.023 -1.019) 10.097 6.299 ( -4.591 -2.650 -8.682) 10.172 6.385 ( 10.308 5.951 -3.229) 12.333 6.556 ( 8.281 4.781 0.286) 9.567 6.930 ( -5.289 -3.054 2.499) 6.599 6.964 ( 0.952 0.549 -9.469) 9.533 7.069 ( 11.843 6.837 0.720) 13.694 7.338 ( 10.248 5.917 -0.149) 11.835 7.392 ( -13.848 -7.995 3.956) 16.472 7.510 ( -8.356 -4.824 14.182) 17.153 8.251 ( -5.702 -3.292 3.415) 7.417 8.255 ( 1.597 0.922 -3.395) 3.864 8.431 ( 0.251 0.145 4.001) 4.012 8.499 ( 0.073 0.042 0.460) 0.467 8.681 ( 5.525 3.190 -14.619) 15.950 8.860 ( -10.207 -5.893 -10.114) 15.530 9.034 ( 3.876 2.238 -0.280) 4.485 9.408 ( -5.501 -3.176 -5.891) 8.663 9.874 ( -5.096 -2.942 6.355) 8.661 10.273 ( -2.794 -1.613 -3.462) 4.732 10.568 ( 3.070 1.773 8.761) 9.451 10.879 ( 7.220 4.169 3.741) 9.138 11.556 ( 2.056 1.187 -5.062) 5.591 11.943 ( 2.117 1.222 5.350) 5.882 12.216 ( -2.237 -1.292 0.118) 2.586 12.255 ( -4.386 -2.532 -0.886) 5.142 13.167 ( 0.523 0.302 -0.509) 0.790 13.422 ( -9.081 -5.243 3.158) 10.951 13.538 ( -0.665 -0.384 -1.430) 1.623 16.031 ( -3.482 -2.010 6.773) 7.877 16.642 ( 5.610 3.239 1.032) 6.560 16.844 ( 3.511 2.027 -1.001) 4.176 17.046 ( 3.775 2.180 -9.310) 10.280 17.742 ( 1.502 0.867 3.491) 3.898 18.003 ( 0.908 0.524 3.863) 4.003 19.354 ( -3.730 -2.154 -0.820) 4.385 19.568 ( -1.947 -1.124 -4.207) 4.770 23.312 ( 12.284 7.092 -5.694) 15.285 23.746 ( -5.149 -2.973 2.088) 6.301 25.419 ( -7.488 -4.323 0.692) 8.674 ======================= Grid point 114 (20/58) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 9.405 5.430 9.298) 14.297 2.645 ( 4.237 2.446 -4.314) 6.522 2.890 ( -2.956 -1.707 2.097) 4.006 3.049 ( -7.338 -4.236 5.190) 9.936 3.108 ( -2.109 -1.218 0.989) 2.628 3.437 ( 1.330 0.768 -3.974) 4.260 3.463 ( 1.083 0.625 -4.378) 4.553 3.796 ( 3.493 2.017 -0.660) 4.087 3.918 ( -0.547 -0.316 -5.179) 5.218 3.953 ( -1.543 -0.891 -0.932) 2.011 4.009 ( -0.798 -0.461 1.251) 1.554 4.012 ( 1.566 0.904 1.691) 2.476 4.062 ( 1.187 0.685 4.039) 4.265 4.355 ( -3.083 -1.780 4.828) 5.999 4.382 ( -1.035 -0.598 -2.302) 2.593 4.552 ( 1.589 0.917 0.449) 1.889 4.671 ( -1.859 -1.074 2.241) 3.103 4.912 ( 0.428 0.247 -6.663) 6.681 5.007 ( -5.123 -2.958 0.196) 5.919 5.481 ( 0.402 0.232 7.201) 7.216 5.599 ( 7.763 4.482 3.262) 9.540 5.691 ( -1.590 -0.918 10.125) 10.290 5.975 ( 1.165 0.673 -2.235) 2.609 6.111 ( -7.782 -4.493 -8.494) 12.364 6.244 ( 15.806 9.126 -2.104) 18.373 6.533 ( -9.872 -5.700 -1.075) 11.450 6.591 ( 7.842 4.527 -8.933) 12.720 6.724 ( -16.604 -9.587 -3.166) 19.433 6.754 ( -0.312 -0.180 6.892) 6.901 7.249 ( 3.096 1.788 -5.766) 6.784 7.308 ( 6.034 3.484 11.888) 13.780 7.359 ( -3.725 -2.151 11.980) 12.729 7.685 ( 14.403 8.315 -9.746) 19.276 8.115 ( -7.325 -4.229 -1.541) 8.597 8.118 ( -15.407 -8.895 7.656) 19.367 8.441 ( -2.821 -1.629 -3.481) 4.767 8.478 ( 5.000 2.886 2.560) 6.315 8.833 ( 8.388 4.843 -11.097) 14.729 8.853 ( 6.819 3.937 -13.227) 15.393 9.083 ( 0.560 0.324 -0.280) 0.705 9.324 ( -1.148 -0.663 -3.925) 4.143 9.721 ( -7.480 -4.318 6.869) 11.035 10.279 ( 2.926 1.689 -3.580) 4.922 10.560 ( -3.109 -1.795 12.383) 12.893 10.988 ( 1.260 0.728 1.867) 2.367 11.663 ( 6.562 3.789 -1.547) 7.734 11.862 ( -7.786 -4.495 -0.890) 9.034 12.188 ( -0.098 -0.057 0.142) 0.182 12.237 ( 2.039 1.177 1.669) 2.886 13.177 ( -1.607 -0.928 -0.688) 1.980 13.327 ( 2.711 1.565 4.060) 5.127 13.538 ( 0.731 0.422 -1.518) 1.737 15.955 ( -2.940 -1.697 6.075) 6.959 16.675 ( -2.012 -1.162 -4.101) 4.713 16.851 ( -2.915 -1.683 -0.457) 3.397 17.132 ( 3.536 2.042 -8.944) 9.832 17.801 ( 3.079 1.778 6.237) 7.179 17.998 ( -1.308 -0.755 4.255) 4.515 19.315 ( -0.149 -0.086 -0.907) 0.923 19.544 ( 0.408 0.236 -2.236) 2.286 23.482 ( 0.434 0.251 -3.261) 3.299 23.670 ( -0.001 -0.000 -0.006) 0.006 25.323 ( -0.250 -0.144 0.496) 0.574 ======================= Grid point 116 (21/58) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -18.241 -10.532 18.853) 28.268 2.503 ( -14.499 -8.371 1.300) 16.792 2.872 ( -0.027 -0.015 -4.548) 4.548 3.076 ( -1.667 -0.962 1.603) 2.504 3.124 ( 8.505 4.910 -1.039) 9.875 3.364 ( -8.019 -4.630 -2.677) 9.639 3.511 ( 3.173 1.832 -3.046) 4.765 3.729 ( -8.404 -4.852 -8.400) 12.835 3.939 ( 0.627 0.362 -0.361) 0.809 3.990 ( 3.642 2.103 -1.762) 4.560 4.057 ( 5.862 3.385 1.113) 6.860 4.085 ( 4.232 2.443 0.383) 4.902 4.115 ( 4.095 2.364 4.034) 6.216 4.272 ( -4.600 -2.656 2.128) 5.722 4.356 ( -1.081 -0.624 -1.776) 2.171 4.519 ( -5.772 -3.332 6.222) 9.118 4.602 ( -4.210 -2.431 0.562) 4.894 4.910 ( 0.252 0.145 -2.264) 2.283 5.005 ( 5.288 3.053 -3.700) 7.140 5.452 ( -2.501 -1.444 -1.558) 3.281 5.478 ( -37.938 -21.904 2.038) 43.854 5.523 ( -11.942 -6.895 4.714) 14.573 5.655 ( -3.725 -2.151 12.709) 13.417 5.848 ( -12.075 -6.972 -2.316) 14.134 6.172 ( -6.614 -3.819 -3.745) 8.506 6.317 ( -15.137 -8.740 -3.796) 17.887 6.651 ( -6.745 -3.894 -0.626) 7.813 6.749 ( 3.504 2.023 -13.951) 14.526 6.966 ( 22.769 13.146 -0.687) 26.300 7.310 ( 1.796 1.037 5.061) 5.470 7.339 ( 1.034 0.597 6.118) 6.234 7.476 ( 7.593 4.384 10.989) 14.058 7.624 ( -19.975 -11.532 8.034) 24.424 7.879 ( -12.032 -6.947 -6.603) 15.383 7.997 ( 8.696 5.021 -5.850) 11.621 8.407 ( -0.946 -0.546 -5.021) 5.139 8.627 ( 7.210 4.163 5.008) 9.716 8.897 ( -3.543 -2.046 -7.780) 8.790 9.114 ( 3.055 1.764 -0.157) 3.532 9.120 ( 14.574 8.414 -7.357) 18.367 9.373 ( 5.022 2.900 -5.321) 7.870 9.573 ( -4.763 -2.750 2.058) 5.872 10.376 ( 4.954 2.860 -0.248) 5.726 10.430 ( -8.201 -4.735 6.882) 11.706 10.979 ( -0.872 -0.504 5.377) 5.470 11.574 ( -12.502 -7.218 -3.948) 14.967 11.862 ( 4.975 2.872 3.071) 6.514 12.212 ( 2.107 1.217 0.034) 2.434 12.297 ( 3.088 1.783 0.378) 3.586 13.141 ( -0.187 -0.108 -0.521) 0.564 13.504 ( 11.460 6.617 4.279) 13.908 13.568 ( 1.751 1.011 -0.826) 2.184 15.905 ( -1.361 -0.786 3.072) 3.451 16.579 ( -5.880 -3.395 -2.119) 7.113 16.716 ( -8.730 -5.040 -1.012) 10.131 17.200 ( 2.204 1.272 -5.817) 6.350 17.860 ( 1.717 0.992 4.917) 5.302 17.946 ( -3.137 -1.811 3.479) 5.023 19.346 ( 3.274 1.890 -0.841) 3.872 19.586 ( 2.732 1.578 -3.829) 4.962 23.322 ( -12.266 -7.082 -5.341) 15.137 23.751 ( 5.450 3.146 2.044) 6.617 25.410 ( 7.280 4.203 0.516) 8.423 ======================= Grid point 117 (22/58) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -21.454 -12.386 26.543) 36.307 2.088 ( -21.092 -12.178 3.534) 24.610 2.732 ( -15.173 -8.760 -1.887) 17.621 3.016 ( -5.032 -2.905 -1.973) 6.136 3.127 ( -8.283 -4.782 -1.532) 9.686 3.258 ( 1.863 1.075 -4.152) 4.676 3.481 ( -12.533 -7.236 -8.939) 17.010 3.566 ( -0.225 -0.130 1.303) 1.329 3.958 ( -1.207 -0.697 -3.157) 3.451 4.006 ( -20.219 -11.673 1.678) 23.407 4.030 ( 0.915 0.528 -0.034) 1.057 4.165 ( 0.855 0.494 -0.185) 1.005 4.182 ( -2.819 -1.628 0.594) 3.309 4.242 ( -5.645 -3.259 -7.540) 9.967 4.319 ( -1.838 -1.061 -1.302) 2.490 4.377 ( 7.302 4.216 6.570) 10.690 4.511 ( -1.557 -0.899 -0.431) 1.849 4.634 ( -22.503 -12.992 8.262) 27.266 5.052 ( 9.264 5.348 0.390) 10.704 5.121 ( 3.787 2.186 -4.284) 6.122 5.187 ( -17.444 -10.071 7.380) 21.452 5.418 ( -1.161 -0.670 -9.955) 10.045 5.426 ( -15.889 -9.174 1.581) 18.416 5.498 ( -13.002 -7.507 6.350) 16.301 5.992 ( -9.602 -5.544 2.611) 11.391 6.075 ( -9.191 -5.306 -1.099) 10.669 6.458 ( -8.899 -5.138 -4.851) 11.363 6.740 ( -1.946 -1.123 -17.580) 17.723 7.065 ( -19.303 -11.144 9.369) 24.178 7.138 ( -8.629 -4.982 8.604) 13.164 7.483 ( 9.187 5.304 7.600) 13.049 7.547 ( 8.315 4.801 3.526) 10.228 7.575 ( -2.284 -1.318 -16.385) 16.596 7.769 ( 10.950 6.322 13.357) 18.392 8.152 ( 4.389 2.534 -2.109) 5.489 8.364 ( -3.107 -1.794 -3.766) 5.201 8.767 ( -6.683 -3.859 -2.331) 8.062 8.789 ( 6.515 3.762 7.105) 10.348 9.182 ( 2.620 1.513 2.900) 4.191 9.444 ( 13.109 7.568 -4.723) 15.856 9.510 ( -0.962 -0.556 -4.832) 4.958 9.525 ( 7.597 4.386 -8.227) 12.027 10.201 ( -11.092 -6.404 -4.069) 13.439 10.488 ( 4.555 2.630 2.555) 5.847 10.950 ( -3.037 -1.753 12.373) 12.861 11.280 ( -10.949 -6.321 -4.176) 13.315 11.907 ( -1.080 -0.623 3.696) 3.900 12.279 ( 3.516 2.030 -0.124) 4.061 12.378 ( 3.608 2.083 -0.120) 4.168 13.187 ( 4.344 2.508 -1.104) 5.136 13.610 ( 1.712 0.988 0.288) 1.997 13.826 ( 16.188 9.346 4.935) 19.332 15.894 ( 0.397 0.229 -0.972) 1.075 16.355 ( -16.049 -9.266 2.751) 18.735 16.516 ( -6.206 -3.583 -2.655) 7.642 17.228 ( 0.184 0.106 -0.724) 0.754 17.863 ( -3.833 -2.213 1.359) 4.630 17.872 ( -0.604 -0.349 2.101) 2.213 19.474 ( 7.346 4.241 -2.179) 8.758 19.640 ( 1.695 0.979 -7.881) 8.120 22.965 ( -18.548 -10.709 -10.912) 24.037 23.908 ( 8.457 4.883 7.391) 12.247 25.616 ( 9.838 5.680 0.595) 11.376 ======================= Grid point 118 (23/58) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -16.998 -9.814 36.920) 41.813 1.548 ( -25.859 -14.930 6.568) 30.573 2.167 ( -31.685 -18.293 6.480) 37.156 2.817 ( -10.540 -6.085 -17.933) 21.673 2.866 ( -40.687 -23.491 -3.090) 47.083 3.065 ( 0.092 0.053 7.524) 7.525 3.193 ( -29.324 -16.930 1.353) 33.888 3.380 ( 1.229 0.710 3.087) 3.398 3.526 ( -5.946 -3.433 -1.029) 6.942 3.704 ( -19.417 -11.211 -9.003) 24.161 3.858 ( -13.400 -7.736 1.006) 15.505 4.098 ( 3.653 2.109 -2.771) 5.047 4.176 ( 1.981 1.144 0.988) 2.492 4.333 ( 5.087 2.937 -1.543) 6.073 4.347 ( 2.825 1.631 -0.493) 3.299 4.477 ( 3.942 2.276 -9.209) 10.272 4.522 ( -2.182 -1.260 1.365) 2.866 4.647 ( 8.992 5.192 2.985) 10.804 4.733 ( -16.672 -9.626 4.961) 19.880 5.160 ( -7.253 -4.188 -2.333) 8.694 5.178 ( 1.380 0.797 -3.453) 3.803 5.237 ( -9.889 -5.709 5.319) 12.597 5.252 ( 5.927 3.422 1.580) 7.024 5.396 ( -0.340 -0.196 -12.398) 12.404 5.752 ( -10.236 -5.910 8.073) 14.314 5.810 ( -12.856 -7.422 6.115) 16.055 6.243 ( -9.949 -5.744 -4.644) 12.391 6.659 ( -11.018 -6.361 9.280) 15.747 6.793 ( 1.976 1.141 -19.592) 19.724 6.899 ( -9.622 -5.555 -4.444) 11.966 7.483 ( -6.033 -3.483 -3.183) 7.659 7.544 ( 1.271 0.734 9.331) 9.446 7.746 ( 8.111 4.683 2.951) 9.820 8.194 ( 17.742 10.243 10.311) 22.935 8.203 ( 0.458 0.264 1.712) 1.791 8.262 ( -3.375 -1.949 -2.136) 4.445 8.603 ( -7.674 -4.431 1.690) 9.021 8.907 ( 3.369 1.945 8.640) 9.476 9.247 ( 3.308 1.910 9.992) 10.697 9.512 ( 0.761 0.439 -9.015) 9.058 9.701 ( 7.595 4.385 -10.370) 13.581 9.706 ( 9.611 5.549 -4.629) 12.024 9.957 ( -9.469 -5.467 -15.197) 18.722 10.580 ( 3.467 2.002 4.259) 5.845 10.771 ( -10.495 -6.059 9.492) 15.393 11.179 ( 1.290 0.745 10.186) 10.295 11.844 ( -3.503 -2.023 2.266) 4.637 12.362 ( 3.531 2.039 -0.245) 4.085 12.443 ( 1.834 1.059 0.378) 2.151 13.338 ( 8.529 4.924 -2.809) 10.242 13.641 ( 0.943 0.545 1.259) 1.665 14.228 ( 18.517 10.691 7.865) 22.782 15.870 ( -25.227 -14.565 -8.631) 30.381 15.920 ( 1.771 1.023 -4.828) 5.244 16.417 ( -2.967 -1.713 7.002) 7.796 17.206 ( -2.072 -1.196 4.958) 5.505 17.783 ( -2.896 -1.672 -1.446) 3.643 17.838 ( -2.218 -1.281 -0.433) 2.598 19.514 ( -7.937 -4.582 -22.812) 24.584 19.763 ( 10.348 5.974 -0.744) 11.972 22.477 ( -24.225 -13.987 -19.669) 34.196 24.159 ( 14.267 8.237 16.785) 23.518 25.831 ( 8.427 4.866 0.584) 9.749 ======================= Grid point 119 (24/58) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -26.083 -15.059 14.881) 33.594 1.186 ( -19.987 -11.540 34.128) 41.199 1.392 ( -32.919 -19.006 13.170) 40.229 1.791 ( -40.056 -23.126 38.799) 60.371 2.568 ( -10.237 -5.910 -22.700) 25.593 2.664 ( -19.402 -11.202 -22.861) 32.008 3.088 ( 1.331 0.768 5.928) 6.124 3.262 ( -15.725 -9.079 -7.443) 19.624 3.345 ( -9.702 -5.601 4.987) 12.262 3.415 ( 1.177 0.680 3.370) 3.634 3.674 ( -1.784 -1.030 2.372) 3.142 4.151 ( -9.087 -5.246 6.316) 12.247 4.178 ( 2.865 1.654 -3.674) 4.944 4.271 ( -4.821 -2.783 -1.658) 5.808 4.414 ( 2.534 1.463 0.611) 2.989 4.426 ( 2.818 1.627 0.199) 3.260 4.603 ( 6.991 4.036 -13.396) 15.641 4.681 ( 3.056 1.765 -3.225) 4.781 4.813 ( 5.085 2.936 -3.295) 6.734 4.998 ( -6.517 -3.762 1.031) 7.595 5.106 ( -2.070 -1.195 -0.251) 2.403 5.158 ( -2.924 -1.688 0.069) 3.377 5.291 ( -0.042 -0.024 -9.626) 9.626 5.443 ( 3.025 1.747 -4.343) 5.573 5.548 ( -7.805 -4.506 10.479) 13.821 5.556 ( -8.440 -4.873 10.890) 14.614 6.072 ( -2.961 -1.710 -2.261) 4.099 6.432 ( -7.749 -4.474 9.104) 12.765 6.662 ( -13.586 -7.844 -14.292) 21.222 6.923 ( 7.285 4.206 -20.536) 22.192 7.293 ( -9.658 -5.576 -10.221) 15.128 7.642 ( 6.996 4.039 18.757) 20.423 7.900 ( 5.152 2.975 3.690) 7.001 8.092 ( -7.013 -4.049 4.213) 9.129 8.187 ( -1.621 -0.936 4.702) 5.061 8.325 ( -11.339 -6.547 2.360) 13.305 8.681 ( 13.909 8.030 6.535) 17.339 8.935 ( -0.865 -0.500 8.519) 8.577 9.362 ( 7.907 4.565 10.968) 14.271 9.531 ( 0.631 0.365 -11.985) 12.007 9.766 ( -5.406 -3.121 -19.879) 20.836 9.884 ( 5.955 3.438 -3.482) 7.707 9.896 ( 7.357 4.247 -5.687) 10.223 10.612 ( -1.281 -0.740 10.269) 10.375 10.643 ( 1.850 1.068 5.075) 5.506 11.333 ( 16.358 9.444 26.634) 32.651 11.780 ( -1.630 -0.941 2.004) 2.749 12.430 ( 2.194 1.267 -0.304) 2.552 12.463 ( 0.109 0.063 0.252) 0.281 13.541 ( 7.872 4.545 -6.216) 11.012 13.653 ( 0.105 0.061 1.734) 1.739 14.522 ( -7.925 -4.575 6.447) 11.194 15.387 ( -0.295 -0.171 -14.311) 14.315 15.971 ( 2.648 1.529 -7.532) 8.129 16.382 ( 0.440 0.254 14.827) 14.836 17.138 ( -3.722 -2.149 8.753) 9.751 17.740 ( -0.727 -0.420 -3.046) 3.160 17.782 ( -2.413 -1.393 -2.334) 3.635 18.955 ( -50.977 -29.432 -55.895) 81.174 19.996 ( 8.326 4.807 0.068) 9.615 21.860 ( -27.767 -16.031 -19.764) 37.665 24.613 ( 26.109 15.074 23.121) 37.993 25.985 ( 4.783 2.761 0.598) 5.555 ======================= Grid point 121 (25/58) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 7.764 15.203 37.764) 41.443 1.484 ( 18.191 29.202 10.219) 35.890 1.971 ( 19.596 34.584 7.981) 40.543 2.516 ( 22.591 45.453 7.348) 51.286 2.671 ( -1.057 19.810 -16.882) 26.050 3.041 ( 15.201 15.630 -8.991) 23.584 3.248 ( 15.997 0.893 7.379) 17.639 3.388 ( -0.403 1.604 1.034) 1.951 3.421 ( 0.416 12.392 -3.684) 12.935 3.553 ( 6.266 9.158 -4.473) 11.964 3.763 ( 4.933 14.634 1.043) 15.479 4.114 ( -2.567 -3.392 -2.070) 4.730 4.211 ( -0.088 -2.532 -0.123) 2.536 4.339 ( -2.662 -3.527 -0.888) 4.508 4.393 ( -0.963 -3.533 -0.105) 3.664 4.466 ( 1.087 2.428 -4.306) 5.061 4.511 ( 3.326 12.164 0.336) 12.615 4.675 ( 1.946 -3.728 -3.548) 5.502 4.714 ( -2.063 -4.898 2.327) 5.803 5.030 ( -3.148 5.925 1.732) 6.929 5.148 ( 0.669 -0.298 -3.181) 3.264 5.242 ( 4.927 3.397 -3.419) 6.892 5.350 ( 4.830 0.044 0.801) 4.896 5.422 ( 0.965 -1.723 -7.304) 7.566 5.680 ( 6.626 11.294 5.445) 14.181 5.740 ( 6.372 11.344 10.933) 16.995 6.198 ( 7.644 11.618 -2.576) 14.144 6.449 ( -4.687 12.774 3.350) 14.013 6.837 ( 0.938 -1.839 -17.436) 17.558 6.872 ( 2.149 -0.027 -4.988) 5.432 7.361 ( -3.731 8.071 -4.098) 9.790 7.662 ( 9.498 -3.371 10.153) 14.306 7.837 ( -0.034 -9.472 4.856) 10.644 8.149 ( -3.518 2.002 2.180) 4.597 8.195 ( 1.040 7.360 3.336) 8.147 8.387 ( -0.238 -7.430 4.881) 8.893 8.598 ( 5.028 -0.938 4.049) 6.523 8.870 ( -6.801 -0.256 6.459) 9.382 9.155 ( -13.014 -6.007 9.846) 17.389 9.425 ( -6.867 -3.294 -9.091) 11.859 9.796 ( -3.994 -1.191 -10.698) 11.481 9.904 ( 8.313 0.072 -9.935) 12.954 9.926 ( 8.615 -1.996 -10.931) 14.061 10.571 ( -4.342 -3.472 4.433) 7.110 10.679 ( 1.322 7.584 10.012) 12.629 11.303 ( 8.401 -5.017 17.461) 20.016 11.791 ( -1.394 2.769 0.272) 3.112 12.382 ( -1.834 -3.496 -0.189) 3.953 12.458 ( -0.337 -0.703 0.428) 0.889 13.393 ( -5.052 -9.135 -3.779) 11.102 13.634 ( -1.713 0.322 1.035) 2.027 14.287 ( -15.751 -18.338 8.751) 25.709 15.672 ( 14.057 28.628 -10.918) 33.710 16.063 ( 7.947 -2.763 -6.985) 10.936 16.440 ( 6.353 -1.107 10.842) 12.615 17.089 ( -7.844 6.913 4.699) 11.462 17.746 ( -0.515 1.085 -2.942) 3.177 17.845 ( 3.106 2.263 -0.024) 3.843 19.446 ( 8.271 14.552 -29.991) 34.346 19.825 ( -6.724 -11.150 0.012) 13.020 22.328 ( 15.372 25.636 -21.847) 37.024 24.252 ( -9.988 -16.804 19.790) 27.817 25.881 ( -4.271 -7.681 0.593) 8.808 ======================= Grid point 122 (26/58) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 11.231 16.748 29.241) 35.520 2.063 ( 12.526 29.897 3.712) 32.627 2.595 ( 13.806 26.211 0.574) 29.630 2.923 ( 5.375 24.453 -6.487) 25.864 3.133 ( 13.567 11.766 -14.750) 23.240 3.360 ( -0.626 0.406 2.044) 2.176 3.430 ( -2.626 10.585 3.361) 11.412 3.573 ( 18.644 9.349 3.112) 21.088 3.658 ( 8.651 4.212 0.281) 9.626 3.798 ( 22.363 15.649 -3.433) 27.509 4.013 ( 0.258 1.876 -3.522) 3.999 4.072 ( 4.467 1.231 1.103) 4.763 4.182 ( -0.844 3.668 -0.208) 3.770 4.272 ( -2.949 -4.301 -1.610) 5.458 4.338 ( 1.689 -2.612 -0.375) 3.133 4.377 ( 0.374 -3.006 -0.078) 3.031 4.538 ( -1.009 -6.015 5.439) 8.171 4.688 ( 0.142 3.013 -2.181) 3.722 4.892 ( 5.485 13.346 4.505) 15.116 5.039 ( 1.317 -3.926 -2.396) 4.784 5.222 ( 7.291 10.898 1.336) 13.180 5.320 ( -2.613 -4.423 6.712) 8.452 5.379 ( 3.445 1.824 -11.502) 12.145 5.474 ( 6.286 3.920 0.578) 7.431 5.987 ( 14.273 11.288 4.433) 18.730 6.041 ( 11.326 17.605 2.645) 21.100 6.511 ( 12.046 10.443 0.300) 15.945 6.558 ( 2.318 7.320 -4.098) 8.703 6.733 ( -2.583 -0.455 -10.827) 11.140 6.960 ( 1.061 9.149 -2.094) 9.446 7.352 ( -3.727 3.960 3.091) 6.255 7.669 ( -4.220 -16.500 8.721) 19.134 7.777 ( 3.018 -5.737 -0.339) 6.492 8.055 ( 1.278 -7.974 8.617) 11.810 8.311 ( 2.350 7.794 -1.509) 8.280 8.376 ( 4.655 -0.990 -2.388) 5.325 8.684 ( -6.917 7.131 10.954) 14.788 8.743 ( -0.864 -4.002 -3.106) 5.139 8.906 ( -8.391 -2.026 0.521) 8.648 9.261 ( -7.943 -3.716 -7.848) 11.768 9.684 ( -8.434 0.946 -8.544) 12.042 9.920 ( 3.066 -6.217 -2.135) 7.253 10.206 ( 14.592 5.625 -11.161) 19.213 10.434 ( -5.630 -6.067 2.552) 8.662 10.766 ( -0.439 7.092 11.480) 13.501 11.436 ( 8.797 -1.177 8.302) 12.153 11.796 ( 0.185 1.036 -0.128) 1.060 12.313 ( -2.207 -2.531 0.055) 3.359 12.422 ( -2.869 -1.863 0.091) 3.422 13.233 ( -4.076 -5.780 -1.742) 7.284 13.606 ( -2.260 1.027 0.004) 2.482 13.847 ( -15.114 -13.544 4.189) 20.722 16.122 ( 1.933 0.868 -0.047) 2.120 16.210 ( 16.054 18.427 -0.983) 24.459 16.568 ( 10.216 -1.620 4.732) 11.375 17.046 ( -4.837 6.391 -1.389) 8.135 17.738 ( -0.979 -0.271 -1.848) 2.109 17.918 ( 3.123 1.151 2.015) 3.891 19.571 ( -2.947 -5.566 -3.816) 7.364 19.604 ( -3.781 -1.771 -9.766) 10.621 22.809 ( 15.173 17.610 -13.786) 27.025 23.977 ( -7.763 -8.395 10.262) 15.364 25.697 ( -7.118 -9.070 0.664) 11.548 ======================= Grid point 123 (27/58) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 14.294 16.711 18.071) 28.463 2.497 ( 4.881 27.815 0.349) 28.242 2.930 ( 0.222 21.976 -3.330) 22.228 3.278 ( 5.065 17.352 -0.501) 18.083 3.296 ( -1.870 -1.063 2.900) 3.610 3.404 ( 1.241 8.430 -8.078) 11.741 3.437 ( -5.379 12.977 -4.447) 14.735 3.670 ( 1.234 -2.962 -0.959) 3.349 3.909 ( 7.907 0.577 2.707) 8.377 3.968 ( -0.097 -1.348 0.418) 1.414 3.978 ( -0.550 -3.253 -2.486) 4.131 4.111 ( -4.873 -3.601 -0.094) 6.060 4.128 ( -5.651 -2.421 -0.850) 6.207 4.311 ( 7.335 3.608 0.596) 8.196 4.334 ( 1.398 -6.892 1.141) 7.125 4.518 ( -0.653 -2.564 7.309) 7.774 4.736 ( -0.657 6.551 -1.393) 6.729 4.813 ( 36.666 11.070 -0.133) 38.301 5.030 ( 4.209 -2.697 -0.203) 5.003 5.109 ( 0.027 1.621 -1.987) 2.565 5.227 ( 4.508 6.889 1.466) 8.362 5.405 ( 9.493 -0.791 0.129) 9.527 5.549 ( 6.238 11.925 6.003) 14.736 5.716 ( 12.301 7.633 0.111) 14.478 6.294 ( 5.505 3.976 -0.137) 6.792 6.382 ( 7.384 16.439 -1.935) 18.125 6.470 ( -2.442 -3.177 -4.739) 6.206 6.803 ( 9.590 4.800 -3.829) 11.387 6.911 ( 11.328 4.177 -5.377) 13.217 7.089 ( -2.167 8.696 0.107) 8.962 7.302 ( -1.312 -1.265 8.470) 8.664 7.396 ( -4.484 -12.760 7.587) 15.508 7.673 ( -6.404 -1.522 3.623) 7.514 8.078 ( 6.505 -7.775 3.629) 10.767 8.378 ( -1.566 3.722 -3.611) 5.417 8.463 ( 0.739 0.882 -2.384) 2.647 8.593 ( -1.849 8.199 -1.028) 8.467 8.665 ( -6.844 1.141 -3.938) 7.978 8.840 ( -1.077 -8.270 -1.907) 8.556 9.124 ( -5.013 2.753 -5.411) 7.873 9.547 ( -9.843 4.151 -3.939) 11.385 9.902 ( 0.105 -3.049 -0.622) 3.114 10.262 ( -3.848 -8.962 -1.596) 9.883 10.502 ( 10.985 4.881 -0.950) 12.058 10.812 ( 1.364 2.854 11.133) 11.573 11.531 ( 2.258 0.279 -2.973) 3.744 11.837 ( 5.966 -3.449 4.375) 8.162 12.272 ( -1.854 1.667 0.722) 2.596 12.315 ( -6.039 -3.673 -1.006) 7.140 13.153 ( -0.365 -2.517 -0.775) 2.658 13.504 ( -9.285 -10.148 3.299) 14.145 13.591 ( -3.373 2.644 0.132) 4.288 16.109 ( -3.932 2.486 2.710) 5.384 16.563 ( 8.927 6.792 0.990) 11.260 16.761 ( 9.843 3.521 2.139) 10.670 17.044 ( -1.067 3.485 -7.052) 7.938 17.714 ( 0.241 -2.180 1.578) 2.703 17.969 ( 2.320 -0.592 3.509) 4.247 19.402 ( -4.954 -4.271 -0.277) 6.547 19.578 ( -1.482 -2.197 -6.212) 6.753 23.197 ( 12.216 12.859 -7.308) 19.183 23.804 ( -5.390 -4.333 3.749) 7.866 25.477 ( -7.125 -9.179 0.625) 11.636 ======================= Grid point 124 (28/58) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 12.987 13.296 10.507) 21.351 2.777 ( -2.164 22.424 -2.340) 22.650 3.091 ( -6.018 20.370 -0.218) 21.242 3.159 ( -9.507 -4.506 5.238) 11.753 3.294 ( -12.379 10.470 1.087) 16.249 3.441 ( -0.835 3.072 -5.178) 6.079 3.578 ( -3.949 15.738 -2.438) 16.408 3.696 ( 6.810 -2.813 -1.496) 7.519 3.913 ( -0.465 -2.394 -3.546) 4.303 3.949 ( 0.156 -1.593 0.980) 1.877 3.993 ( 0.624 -1.507 2.112) 2.669 4.031 ( -1.388 -1.210 -0.352) 1.875 4.055 ( -0.996 0.570 2.041) 2.341 4.297 ( 3.576 -5.732 0.966) 6.825 4.420 ( -5.009 -4.873 3.895) 8.000 4.507 ( 6.914 5.477 -2.664) 9.214 4.714 ( -3.051 0.864 -0.116) 3.173 4.990 ( -7.400 2.950 -1.253) 8.065 5.038 ( -1.457 -3.035 -1.233) 3.585 5.305 ( 11.429 -6.603 4.479) 13.939 5.571 ( 13.660 12.017 -1.792) 18.282 5.714 ( 6.924 3.257 12.465) 14.626 5.765 ( 22.434 4.647 1.270) 22.945 5.983 ( 10.636 8.767 -2.756) 14.056 6.217 ( -4.746 -3.802 -13.217) 14.549 6.487 ( 1.167 -4.990 -4.115) 6.572 6.609 ( 0.056 2.619 1.086) 2.836 6.683 ( -8.174 -21.146 8.741) 24.297 6.876 ( -7.473 -3.415 -4.048) 9.159 7.142 ( 8.418 0.561 1.899) 8.648 7.312 ( -1.775 4.819 8.080) 9.574 7.525 ( 2.746 6.883 -1.846) 7.637 7.629 ( 1.803 17.069 2.006) 17.281 8.043 ( -0.831 -10.881 2.484) 11.192 8.363 ( -4.947 3.848 -0.669) 6.303 8.463 ( -0.584 0.515 -0.085) 0.783 8.534 ( -11.280 3.074 4.862) 12.662 8.665 ( 3.227 -7.348 -13.154) 15.409 8.800 ( 6.781 6.736 -11.965) 15.314 9.129 ( 0.664 2.591 -3.843) 4.682 9.438 ( -8.905 6.476 1.344) 11.092 9.839 ( -6.936 1.249 1.708) 7.252 10.168 ( 4.730 -9.052 -5.416) 11.561 10.608 ( -2.338 1.880 11.765) 12.141 10.914 ( 7.442 -0.802 3.476) 8.252 11.564 ( 4.339 -1.313 -3.357) 5.641 11.885 ( 1.448 -4.200 1.500) 4.689 12.178 ( -3.169 -3.741 -0.889) 4.983 12.278 ( -1.439 4.325 1.860) 4.923 13.158 ( 2.004 -1.323 -0.479) 2.449 13.302 ( -3.051 -6.356 4.329) 8.274 13.580 ( -2.180 4.179 -0.625) 4.755 16.056 ( -5.897 4.605 3.625) 8.314 16.686 ( 1.301 1.204 -3.979) 4.356 16.881 ( -0.016 2.179 0.078) 2.180 17.086 ( 2.853 1.380 -8.016) 8.620 17.726 ( 4.446 -3.065 6.206) 8.227 17.983 ( 0.850 -1.999 4.264) 4.785 19.327 ( -1.498 -0.464 -0.780) 1.751 19.530 ( -0.356 -2.637 -2.563) 3.695 23.465 ( 5.865 7.988 -3.594) 10.542 23.696 ( -3.585 -2.005 0.430) 4.130 25.308 ( -2.141 -6.643 0.373) 6.990 ======================= Grid point 125 (29/58) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -10.842 -3.762 14.700) 18.649 2.797 ( -15.276 10.949 -2.068) 18.908 3.036 ( 2.269 4.077 0.884) 4.749 3.134 ( -12.288 22.768 1.196) 25.900 3.231 ( -7.517 11.538 -0.140) 13.771 3.455 ( 0.828 1.156 -4.571) 4.788 3.587 ( -9.369 9.654 -0.493) 13.462 3.782 ( 0.410 -1.268 -5.727) 5.880 3.903 ( 1.899 -1.148 -3.052) 3.773 3.949 ( 2.989 0.668 0.678) 3.137 3.978 ( 0.980 -2.748 3.269) 4.381 4.046 ( 2.642 2.520 -0.395) 3.672 4.071 ( 2.555 -0.038 3.839) 4.612 4.274 ( -4.088 -6.755 4.064) 8.880 4.334 ( 3.066 -2.581 -2.072) 4.512 4.565 ( -3.316 0.651 0.158) 3.383 4.715 ( -1.948 4.724 0.652) 5.151 4.939 ( -2.134 -2.160 2.408) 3.875 4.957 ( -2.219 3.240 -7.532) 8.495 5.355 ( 4.796 -8.346 5.091) 10.889 5.605 ( -5.545 -16.189 10.212) 19.928 5.736 ( -9.655 2.288 -2.146) 10.152 5.793 ( -18.453 -16.498 -2.490) 24.878 6.029 ( -12.039 -0.449 -2.100) 12.229 6.228 ( -1.295 0.428 3.023) 3.317 6.459 ( 17.484 -3.764 -3.392) 18.204 6.553 ( 3.170 -3.361 -4.810) 6.669 6.666 ( 7.189 -5.853 4.712) 10.399 6.731 ( -4.067 6.079 -9.410) 11.918 7.281 ( 8.572 0.066 -0.765) 8.607 7.342 ( -2.004 3.928 13.202) 13.919 7.531 ( -6.228 11.705 7.654) 15.309 7.751 ( -10.309 -14.431 -0.167) 17.736 7.946 ( 2.690 7.584 -3.495) 8.773 8.157 ( -17.012 3.565 -2.942) 17.629 8.419 ( -1.157 -0.121 -4.171) 4.330 8.535 ( 5.621 1.721 2.771) 6.499 8.790 ( 13.106 -3.999 -5.951) 14.939 8.947 ( 0.743 5.197 -9.626) 10.964 9.192 ( 4.308 2.063 -6.434) 8.013 9.390 ( -3.907 8.474 5.768) 10.970 9.724 ( -9.269 6.379 -3.302) 11.726 10.230 ( 9.923 -6.101 -2.802) 11.981 10.514 ( -6.906 -3.533 10.211) 12.824 10.976 ( 1.403 -1.285 4.348) 4.746 11.646 ( 2.600 -4.856 -0.637) 5.545 11.780 ( -2.704 -3.578 -0.709) 4.540 12.188 ( 4.171 1.112 -0.591) 4.358 12.296 ( -0.895 3.188 1.926) 3.831 13.134 ( -0.727 -2.717 -0.232) 2.822 13.339 ( 9.605 -0.380 4.194) 10.487 13.597 ( -1.008 4.506 -0.116) 4.619 16.009 ( -5.967 6.841 1.955) 9.286 16.643 ( -4.732 -2.085 -5.740) 7.725 16.829 ( -7.115 -0.178 1.507) 7.275 17.148 ( 3.676 -0.458 -7.368) 8.247 17.787 ( 5.472 -3.575 6.727) 9.380 17.960 ( -0.973 -2.099 4.095) 4.703 19.323 ( 0.812 0.780 -0.785) 1.372 19.538 ( 3.195 -0.732 -2.428) 4.079 23.472 ( -9.415 -0.988 -3.355) 10.044 23.696 ( 3.759 2.171 0.351) 4.355 25.303 ( 6.439 -1.569 0.283) 6.634 ======================= Grid point 126 (30/58) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -21.845 -9.719 21.186) 31.946 2.514 ( -26.204 6.694 0.948) 27.062 3.041 ( -18.784 12.018 -4.099) 22.673 3.143 ( -4.781 6.245 0.678) 7.894 3.253 ( -0.193 7.421 0.629) 7.450 3.401 ( -16.577 8.596 -4.291) 19.160 3.541 ( 1.604 1.131 -1.432) 2.430 3.616 ( -11.623 -6.460 -7.339) 15.188 3.932 ( 1.850 -1.128 -1.491) 2.630 3.988 ( 2.377 -2.083 1.317) 3.424 4.081 ( -1.443 -5.921 -3.064) 6.821 4.110 ( 6.279 2.120 -0.071) 6.628 4.168 ( 5.311 3.585 -1.028) 6.490 4.198 ( 7.415 -0.253 5.674) 9.340 4.328 ( -0.032 -2.431 -1.088) 2.664 4.419 ( -11.753 -4.977 7.222) 14.665 4.668 ( -10.709 5.606 -0.978) 12.127 4.918 ( -28.820 -27.725 4.635) 40.259 4.945 ( 5.195 1.039 -3.464) 6.330 5.026 ( 4.477 -0.151 -1.835) 4.841 5.312 ( -2.376 -7.476 -1.271) 7.946 5.515 ( -12.449 -1.207 -5.530) 13.676 5.522 ( -4.351 -8.677 10.793) 14.517 5.732 ( -21.363 -3.396 2.302) 21.753 6.167 ( -11.190 2.204 2.927) 11.775 6.282 ( -13.627 3.236 -5.280) 14.968 6.566 ( -5.443 -1.560 -2.410) 6.154 6.716 ( 1.037 -3.484 -13.275) 13.764 7.090 ( 21.932 -0.743 0.627) 21.954 7.247 ( -16.765 -12.681 4.708) 21.542 7.310 ( -1.307 -0.039 9.750) 9.837 7.449 ( 6.794 -2.281 6.493) 9.670 7.640 ( -1.087 9.063 5.503) 10.658 7.791 ( -8.827 -1.271 -2.527) 9.269 8.188 ( 0.431 11.589 -6.761) 13.424 8.401 ( -2.080 0.243 -4.812) 5.248 8.662 ( 7.529 -0.800 1.596) 7.738 8.863 ( -3.161 -1.588 0.988) 3.673 9.005 ( 8.139 -4.216 -1.471) 9.283 9.294 ( 7.646 -4.120 -7.676) 11.591 9.497 ( 2.053 14.735 4.227) 15.466 9.680 ( -5.065 10.206 -9.879) 15.080 10.315 ( -8.045 -5.874 0.414) 9.970 10.360 ( 8.205 -3.710 0.984) 9.058 10.971 ( -0.709 -0.957 11.352) 11.414 11.448 ( -12.794 -3.961 -4.744) 14.209 11.835 ( 6.319 -4.142 3.076) 8.158 12.263 ( 0.947 2.845 0.230) 3.007 12.338 ( 3.636 2.017 -0.099) 4.159 13.134 ( 2.785 -0.317 -0.757) 2.904 13.554 ( 12.035 0.475 2.261) 12.255 13.644 ( 4.321 3.505 2.991) 6.317 15.991 ( -4.994 8.547 -1.063) 9.956 16.513 ( -7.862 -2.929 0.732) 8.422 16.635 ( -12.586 -2.822 -0.396) 12.904 17.193 ( 2.491 -1.903 -4.125) 5.181 17.816 ( 2.462 -4.958 3.347) 6.469 17.919 ( -2.030 -0.172 3.212) 3.804 19.389 ( 5.626 2.168 -0.666) 6.066 19.599 ( 3.513 -0.175 -5.528) 6.552 23.204 ( -17.423 -4.464 -7.065) 19.323 23.809 ( 6.687 2.372 3.751) 8.025 25.469 ( 11.420 1.832 0.473) 11.575 ======================= Grid point 127 (31/58) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -21.407 -7.394 29.193) 36.948 2.055 ( -33.036 4.059 3.568) 33.475 2.631 ( -32.323 -2.736 2.594) 32.542 3.036 ( -15.043 2.363 -10.465) 18.477 3.142 ( -16.960 -4.977 -8.005) 19.403 3.289 ( -9.950 10.236 -0.606) 14.288 3.375 ( -3.429 -1.391 0.492) 3.733 3.538 ( -9.384 -3.146 4.562) 10.898 3.669 ( -24.497 -11.770 2.630) 27.305 3.880 ( -20.155 -12.738 -4.449) 24.255 4.028 ( -1.856 0.312 -0.855) 2.067 4.047 ( -0.546 -2.890 -2.681) 3.980 4.195 ( -3.359 1.378 0.897) 3.740 4.264 ( 2.099 1.294 -2.743) 3.688 4.305 ( 4.753 0.250 -0.578) 4.795 4.383 ( 5.653 -1.535 -1.488) 6.044 4.512 ( 7.349 0.292 7.852) 10.759 4.619 ( -4.770 6.871 -3.488) 9.063 4.991 ( -12.136 -7.028 6.054) 15.275 5.076 ( 0.088 -6.153 -1.626) 6.364 5.157 ( 1.429 4.447 1.638) 4.950 5.341 ( -9.526 -2.407 -1.265) 9.907 5.365 ( -9.380 -0.377 -2.901) 9.825 5.437 ( -2.268 0.317 -2.718) 3.555 5.921 ( -14.855 -0.677 4.003) 15.400 6.041 ( -18.322 -0.457 3.049) 18.579 6.427 ( -11.955 2.309 -4.125) 12.855 6.685 ( -0.146 -5.474 -8.234) 9.889 6.812 ( -10.035 -10.189 -3.691) 14.770 7.050 ( -12.362 -4.492 4.337) 13.849 7.478 ( 0.241 -6.405 -0.553) 6.434 7.568 ( 12.988 5.274 3.984) 14.573 7.644 ( 0.619 5.017 2.116) 5.480 7.946 ( 14.827 7.809 10.554) 19.804 8.265 ( -1.708 6.853 -3.992) 8.113 8.335 ( -5.295 -1.021 -2.094) 5.785 8.701 ( -4.957 -1.069 -0.393) 5.086 8.824 ( 4.432 -2.025 8.864) 10.115 9.079 ( 8.076 -8.502 3.877) 12.350 9.363 ( 7.122 -6.551 -8.129) 12.638 9.706 ( 4.421 13.328 -1.153) 14.090 9.739 ( 1.179 7.458 -10.573) 12.992 10.094 ( -11.300 -1.811 -10.304) 15.400 10.479 ( 7.780 -2.371 2.802) 8.603 10.877 ( -7.555 -5.834 12.440) 15.680 11.269 ( -6.630 5.749 2.840) 9.223 11.848 ( 0.053 -3.937 1.670) 4.277 12.311 ( 3.194 0.864 0.025) 3.309 12.420 ( 2.822 1.617 0.079) 3.253 13.226 ( 7.253 1.269 -1.680) 7.552 13.629 ( 0.862 0.329 0.469) 1.036 13.921 ( 20.581 -0.066 5.674) 21.349 16.005 ( -3.913 9.012 -3.217) 10.339 16.207 ( -22.948 -4.373 -1.044) 23.384 16.470 ( -4.527 -0.203 3.296) 5.603 17.183 ( -0.015 -4.984 0.976) 5.079 17.782 ( -0.501 -3.847 -0.710) 3.944 17.887 ( -2.603 0.966 1.614) 3.212 19.541 ( 5.777 2.368 -5.617) 8.399 19.641 ( 4.036 -0.846 -7.775) 8.801 22.808 ( -23.240 -4.328 -13.728) 27.337 23.982 ( 11.203 2.076 10.253) 15.328 25.692 ( 11.470 2.028 0.585) 11.663 ======================= Grid point 132 (32/58) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 8.152 21.773 21.630) 31.755 2.620 ( 14.229 24.057 -0.469) 27.954 3.139 ( 9.767 26.407 -1.818) 28.214 3.255 ( 6.354 1.422 -4.385) 7.850 3.347 ( 3.044 5.295 -1.425) 6.272 3.476 ( 4.176 20.550 -4.368) 21.420 3.564 ( -0.306 -2.041 0.777) 2.206 3.670 ( 18.415 6.618 -1.018) 19.595 3.827 ( -3.932 11.909 -3.151) 12.931 3.970 ( -1.206 -0.948 1.830) 2.387 3.996 ( -3.396 -1.544 -1.245) 3.933 4.137 ( -2.635 -4.800 -0.082) 5.476 4.182 ( -4.643 -5.489 0.152) 7.191 4.246 ( -1.078 -4.765 1.880) 5.234 4.286 ( -0.272 1.297 0.817) 1.557 4.365 ( 17.096 15.799 2.848) 23.452 4.502 ( 0.606 4.095 6.001) 7.291 4.862 ( 9.309 13.657 -5.622) 17.458 4.923 ( -1.458 -4.489 0.082) 4.720 5.059 ( 2.799 -0.398 -0.856) 2.954 5.212 ( 0.287 0.184 0.154) 0.374 5.377 ( -4.711 2.351 2.839) 5.982 5.505 ( 5.010 4.158 -3.341) 7.318 5.700 ( 10.388 22.126 4.303) 24.819 6.214 ( 10.559 10.631 6.442) 16.310 6.350 ( 6.126 6.131 -8.706) 12.285 6.608 ( -2.784 5.077 -1.607) 6.009 6.670 ( 11.393 6.852 -5.382) 14.343 6.894 ( -4.901 9.201 -5.277) 11.684 7.169 ( -3.221 -2.660 4.202) 5.925 7.305 ( -3.035 -5.639 11.786) 13.413 7.393 ( -3.601 -0.852 5.213) 6.393 7.706 ( 1.569 2.782 -2.710) 4.189 7.897 ( 6.483 -6.380 6.497) 11.178 8.373 ( 5.894 -0.513 -7.327) 9.417 8.421 ( 3.798 2.674 -4.977) 6.808 8.635 ( -4.314 -4.697 -3.672) 7.359 8.820 ( -1.988 0.135 5.247) 5.613 8.886 ( -8.781 3.611 2.785) 9.895 9.206 ( -5.486 -2.295 -5.395) 8.029 9.731 ( -0.267 -1.450 -1.836) 2.355 9.792 ( 4.589 -1.239 -7.008) 8.467 10.280 ( -7.180 -6.379 -0.616) 9.624 10.313 ( 10.742 2.954 -5.599) 12.468 10.898 ( -4.289 4.673 15.369) 16.626 11.460 ( 7.599 4.500 -1.994) 9.054 11.768 ( -3.316 -3.847 1.756) 5.374 12.294 ( 0.399 0.346 0.637) 0.828 12.359 ( -3.009 -4.305 -0.456) 5.272 13.136 ( -1.416 -3.644 -1.053) 4.049 13.545 ( -8.111 -11.438 3.034) 14.346 13.662 ( -2.490 -0.652 2.889) 3.869 16.144 ( 4.801 1.442 -4.123) 6.491 16.492 ( 6.086 7.032 0.927) 9.346 16.634 ( 10.384 10.606 4.293) 15.451 17.127 ( -4.346 1.522 -4.147) 6.197 17.725 ( -4.150 -1.266 1.517) 4.596 17.931 ( 1.673 0.355 3.293) 3.710 19.420 ( -3.029 -6.339 0.051) 7.026 19.587 ( -2.252 -2.367 -6.964) 7.692 23.156 ( 9.509 16.859 -7.847) 20.886 23.833 ( -3.710 -6.068 4.489) 8.410 25.489 ( -6.306 -11.391 0.462) 13.028 ======================= Grid point 133 (33/58) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 9.704 19.056 14.850) 26.035 2.998 ( 4.497 19.589 -2.232) 20.222 3.254 ( -4.620 -2.287 3.554) 6.262 3.403 ( -2.742 15.466 -2.249) 15.868 3.481 ( 0.742 11.172 -8.006) 13.765 3.504 ( 0.300 -6.004 3.905) 7.169 3.713 ( -5.469 15.043 -1.019) 16.039 3.861 ( -2.550 9.039 -2.254) 9.659 3.882 ( 3.786 -3.055 2.236) 5.354 3.955 ( -3.678 12.093 -1.111) 12.689 3.969 ( -1.197 4.426 2.881) 5.415 4.048 ( -3.737 -3.376 -0.178) 5.039 4.087 ( -0.608 1.547 -0.372) 1.704 4.176 ( 2.329 -6.640 1.881) 7.284 4.372 ( 7.183 0.743 2.192) 7.547 4.499 ( -1.733 2.752 -1.136) 3.444 4.785 ( 1.381 -2.244 -3.757) 4.589 4.869 ( 13.452 -2.089 1.464) 13.692 5.104 ( 8.205 5.673 -0.479) 9.987 5.164 ( -3.419 2.354 3.246) 5.270 5.303 ( 9.566 8.251 2.201) 12.823 5.468 ( 19.121 4.981 -1.708) 19.833 5.618 ( 5.635 -2.212 -5.111) 7.923 5.984 ( 1.169 9.806 4.144) 10.710 6.274 ( -4.435 0.338 -8.941) 9.986 6.430 ( 2.580 -3.260 4.190) 5.902 6.578 ( -11.242 -23.221 7.395) 26.838 6.706 ( 1.825 3.332 0.275) 3.809 6.955 ( -2.588 -0.436 0.497) 2.671 7.062 ( 2.440 11.207 -7.554) 13.734 7.385 ( 0.666 4.550 9.468) 10.526 7.401 ( 10.136 2.352 2.744) 10.761 7.816 ( -1.217 14.673 0.319) 14.727 7.940 ( 3.889 -4.639 3.908) 7.205 8.420 ( 0.201 -0.016 -2.911) 2.918 8.466 ( 0.726 -0.701 -2.733) 2.913 8.594 ( -1.058 -3.517 -10.396) 11.026 8.706 ( -1.818 -4.413 -3.312) 5.809 8.860 ( -5.289 13.351 3.799) 14.854 9.135 ( -1.370 -0.640 -5.532) 5.735 9.665 ( -8.385 2.622 2.228) 9.063 9.871 ( 5.917 -2.109 -7.222) 9.571 10.077 ( -6.822 -3.913 -3.026) 8.426 10.569 ( 12.660 1.683 -0.631) 12.787 10.836 ( -4.218 -0.686 14.184) 14.814 11.519 ( -1.490 -2.815 -2.838) 4.266 11.772 ( 6.750 -0.169 1.988) 7.038 12.211 ( -5.663 -6.844 -1.410) 8.995 12.334 ( -0.047 3.536 2.258) 4.196 13.109 ( 1.290 -1.736 -0.382) 2.196 13.303 ( -5.978 -9.159 5.006) 12.028 13.659 ( -1.383 3.510 1.099) 3.930 16.193 ( -2.307 5.269 -3.170) 6.568 16.639 ( 5.862 2.745 -5.097) 8.239 16.884 ( 4.557 5.833 1.840) 7.627 17.086 ( -0.585 2.112 -3.800) 4.387 17.633 ( -1.098 -6.154 5.833) 8.550 17.951 ( 0.944 -0.752 4.218) 4.387 19.345 ( -1.213 -1.242 -0.234) 1.752 19.513 ( -1.957 -4.114 -3.196) 5.565 23.450 ( 7.272 11.955 -3.799) 14.499 23.733 ( -3.014 -2.754 0.976) 4.198 25.278 ( -4.584 -10.121 0.067) 11.111 ======================= Grid point 134 (34/58) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 0.913 10.422 12.329) 16.169 3.081 ( -6.939 -1.140 3.979) 8.080 3.163 ( -7.033 14.315 -2.620) 16.163 3.361 ( -3.618 -2.769 1.341) 4.750 3.495 ( -2.164 8.126 2.258) 8.707 3.631 ( 3.622 6.824 -2.562) 8.139 3.726 ( -8.942 16.533 -1.745) 18.877 3.844 ( -2.393 1.690 -2.567) 3.895 3.880 ( -2.588 0.494 -0.323) 2.654 3.935 ( -4.157 4.399 0.516) 6.074 4.004 ( 1.162 0.656 0.094) 1.337 4.038 ( -2.705 1.599 2.091) 3.774 4.102 ( -3.314 10.703 2.479) 11.476 4.242 ( 3.598 1.254 -2.848) 4.757 4.317 ( -6.522 -3.511 3.567) 8.221 4.646 ( 6.333 7.262 -6.171) 11.442 4.676 ( -4.124 -4.045 -2.363) 6.241 4.984 ( -1.194 -2.004 -2.951) 3.761 5.127 ( -1.295 4.326 10.519) 11.447 5.184 ( 0.552 1.468 1.689) 2.305 5.512 ( -6.573 -18.935 -0.271) 20.045 5.763 ( 17.172 5.046 0.353) 17.902 5.839 ( 16.894 0.196 -5.562) 17.787 5.950 ( -9.830 -17.113 -6.693) 20.839 6.087 ( 1.706 -11.872 -3.890) 12.609 6.306 ( 8.667 -2.127 2.582) 9.290 6.437 ( -0.603 1.236 10.219) 10.311 6.663 ( -10.353 1.544 8.318) 13.371 6.918 ( -2.905 4.579 -6.477) 8.448 7.165 ( 1.667 4.628 -4.953) 6.981 7.441 ( -2.218 5.379 17.616) 18.552 7.642 ( 8.642 4.585 -6.079) 11.518 7.752 ( -6.752 -13.799 -4.201) 15.926 8.030 ( -1.181 15.622 3.974) 16.163 8.393 ( -4.532 -1.601 0.445) 4.827 8.457 ( -3.286 -0.322 0.056) 3.302 8.548 ( -3.043 -1.077 -4.972) 5.928 8.599 ( 3.386 0.041 -2.106) 3.988 9.007 ( -0.152 12.489 -7.672) 14.658 9.136 ( 1.881 0.416 -7.918) 8.149 9.531 ( -5.848 0.899 4.314) 7.323 9.923 ( 9.047 -14.213 -6.513) 18.063 10.019 ( -6.758 15.417 -4.317) 17.378 10.610 ( -7.410 -2.395 10.408) 12.999 10.863 ( 9.027 -3.852 4.503) 10.798 11.494 ( 4.753 -4.619 1.219) 6.739 11.842 ( -3.284 -0.292 -1.380) 3.574 12.099 ( 3.289 -3.599 -0.702) 4.926 12.357 ( -1.511 3.039 2.887) 4.456 13.117 ( -0.260 -2.386 0.376) 2.429 13.201 ( 3.629 -3.358 4.360) 6.592 13.670 ( -1.822 3.925 1.249) 4.504 16.189 ( -5.091 7.440 -3.390) 9.632 16.700 ( -2.520 0.669 -7.884) 8.303 16.909 ( -0.040 -0.478 -5.289) 5.311 17.126 ( -1.908 3.896 1.432) 4.569 17.610 ( 7.152 -8.187 8.927) 14.067 17.951 ( 0.069 -0.934 4.459) 4.556 19.333 ( -0.849 0.953 -0.692) 1.452 19.470 ( 2.101 -3.055 -1.546) 4.017 23.604 ( -2.499 4.940 -1.760) 5.809 23.672 ( -0.148 0.040 -0.603) 0.622 25.178 ( 3.127 -5.655 -0.284) 6.468 ======================= Grid point 136 (35/58) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -20.459 -5.276 16.956) 27.091 2.992 ( -18.641 5.931 -2.230) 19.688 3.186 ( 1.664 9.904 0.326) 10.048 3.365 ( 2.129 1.122 -2.856) 3.735 3.512 ( -2.534 5.324 2.716) 6.491 3.583 ( -21.618 6.010 -3.491) 22.708 3.701 ( -6.513 8.391 -3.078) 11.059 3.867 ( -2.103 1.937 -2.741) 3.961 3.881 ( -0.392 -3.457 1.991) 4.008 3.936 ( 1.313 2.894 2.530) 4.062 3.985 ( -5.693 6.448 -1.389) 8.713 4.061 ( 4.297 -0.181 2.611) 5.031 4.106 ( 3.205 2.646 1.312) 4.358 4.181 ( -7.137 0.383 2.693) 7.637 4.278 ( 1.149 -2.990 -1.918) 3.734 4.573 ( -6.713 1.143 2.557) 7.274 4.746 ( 0.736 -6.673 -4.132) 7.883 4.914 ( -0.943 -3.850 -1.771) 4.342 5.068 ( -11.584 -9.983 5.385) 16.213 5.127 ( -14.724 6.304 -2.874) 16.273 5.234 ( 4.130 -3.673 0.911) 5.602 5.511 ( -9.645 -12.626 3.565) 16.284 5.654 ( -8.829 -8.372 -10.146) 15.842 6.044 ( -7.144 -0.559 1.886) 7.410 6.322 ( -1.402 5.071 12.001) 13.104 6.374 ( 4.315 -4.427 -5.196) 8.076 6.571 ( 24.306 -0.128 0.883) 24.322 6.613 ( -0.098 5.773 0.560) 5.801 6.857 ( -7.999 7.020 -9.505) 14.269 7.275 ( 5.549 -1.617 1.153) 5.894 7.373 ( -12.705 -14.219 -2.253) 19.201 7.403 ( -5.459 -0.644 15.957) 16.877 7.783 ( -0.554 9.745 3.257) 10.290 7.962 ( -14.735 -4.957 1.704) 15.639 8.324 ( -1.741 9.199 -8.724) 12.797 8.442 ( -0.839 1.673 -4.192) 4.591 8.554 ( 2.944 1.536 -2.849) 4.376 8.731 ( 8.921 -2.465 -1.557) 9.385 9.001 ( -4.594 -1.743 1.585) 5.163 9.167 ( 2.548 -2.010 -6.227) 7.022 9.580 ( 3.289 10.284 -0.990) 10.843 9.888 ( -6.060 1.368 -5.920) 8.582 10.119 ( 8.996 -0.593 -2.420) 9.334 10.435 ( -8.474 -1.652 2.714) 9.050 10.933 ( 3.229 -3.778 11.321) 12.364 11.554 ( 2.109 -3.452 -1.999) 4.512 11.718 ( -3.272 -1.187 1.028) 3.630 12.216 ( 7.970 0.986 -1.203) 8.121 12.341 ( -2.389 1.126 2.240) 3.464 13.095 ( 0.890 -0.743 -0.270) 1.191 13.322 ( 11.486 -1.106 4.881) 12.529 13.670 ( -1.582 1.991 1.506) 2.956 16.171 ( -5.358 6.935 -4.610) 9.903 16.603 ( -6.225 -1.021 -5.088) 8.104 16.849 ( -10.148 1.930 3.315) 10.849 17.123 ( 1.977 -1.804 -4.987) 5.659 17.678 ( 7.297 -5.700 6.447) 11.282 17.939 ( -0.623 -0.078 4.134) 4.181 19.340 ( 1.513 0.800 -0.341) 1.746 19.520 ( 4.845 -0.875 -3.031) 5.782 23.454 ( -13.888 -0.667 -3.674) 14.381 23.734 ( 4.020 1.163 0.954) 4.292 25.275 ( 10.925 -0.844 0.007) 10.957 ======================= Grid point 144 (36/58) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 6.319 15.424 14.146) 21.862 3.159 ( 5.989 -4.757 1.589) 7.811 3.216 ( -10.144 -2.892 3.766) 11.201 3.386 ( 8.871 3.365 -1.217) 9.566 3.509 ( -4.654 -0.597 -3.064) 5.604 3.756 ( -1.031 7.013 -0.981) 7.156 3.780 ( 1.380 0.139 0.163) 1.396 3.836 ( -0.629 -1.256 -1.499) 2.055 3.892 ( 3.657 -0.717 0.814) 3.814 3.948 ( -4.388 -2.798 3.801) 6.444 4.032 ( -0.554 -3.612 0.155) 3.657 4.161 ( 4.421 7.702 0.036) 8.881 4.257 ( -0.605 0.092 -2.478) 2.552 4.298 ( 10.206 14.529 1.387) 17.809 4.408 ( 2.881 5.049 0.882) 5.880 4.640 ( 6.737 0.658 -5.036) 8.437 4.700 ( -6.399 2.331 -4.502) 8.164 4.922 ( -1.313 8.935 2.533) 9.380 5.097 ( 0.684 -2.179 6.465) 6.856 5.166 ( 4.541 -3.677 8.884) 10.633 5.527 ( 18.898 0.515 -6.877) 20.117 5.559 ( -7.610 7.702 -11.095) 15.503 5.684 ( -5.183 16.602 -4.218) 17.896 5.915 ( 1.089 -12.427 -1.917) 12.621 6.021 ( -10.736 -19.020 -5.725) 22.579 6.179 ( -11.448 -15.685 4.113) 19.849 6.522 ( 4.525 11.595 15.716) 20.047 6.710 ( 2.731 -4.030 13.162) 14.034 6.960 ( -1.177 0.307 -4.709) 4.864 7.354 ( 5.166 8.757 -16.705) 19.555 7.426 ( 2.775 8.082 -2.908) 9.027 7.500 ( 1.586 4.905 18.836) 19.529 7.719 ( -4.984 -13.400 -6.081) 15.537 8.206 ( 4.357 15.713 7.136) 17.799 8.376 ( 3.614 -3.026 -4.531) 6.538 8.445 ( -1.155 -1.723 2.805) 3.489 8.549 ( -2.004 -0.959 -3.467) 4.118 8.595 ( -2.051 -6.065 -1.043) 6.487 9.118 ( 3.315 3.972 -7.629) 9.218 9.193 ( 3.031 13.781 -5.106) 15.006 9.600 ( 5.771 -13.333 -6.585) 15.951 9.659 ( -14.626 -6.066 -2.833) 16.085 10.247 ( 4.256 10.268 -1.112) 11.171 10.589 ( 8.505 2.505 3.123) 9.400 10.772 ( -8.664 -6.017 8.692) 13.668 11.436 ( -2.492 -3.489 2.537) 4.982 11.855 ( 5.155 6.914 -0.655) 8.649 12.054 ( -5.331 -8.225 -0.879) 9.841 12.388 ( 0.802 1.480 3.254) 3.663 13.095 ( 1.015 0.668 1.032) 1.594 13.163 ( -3.374 -4.784 3.721) 6.936 13.711 ( 0.682 1.390 2.096) 2.606 16.279 ( 1.581 2.544 -7.030) 7.642 16.722 ( 4.291 5.675 -8.825) 11.336 16.880 ( -3.253 -4.819 -9.864) 11.450 17.211 ( 5.931 9.052 8.385) 13.690 17.475 ( -6.408 -8.970 9.379) 14.474 17.944 ( 0.070 -0.071 4.596) 4.597 19.352 ( 1.150 1.696 -0.497) 2.108 19.429 ( -2.374 -3.811 -1.353) 4.690 23.637 ( 3.335 5.952 -1.414) 6.968 23.693 ( -0.805 -1.455 -0.508) 1.738 25.116 ( -2.822 -4.959 -0.673) 5.745 ======================= Grid point 218 (37/58) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.000 -0.000 21.612) 21.612 1.088 ( 0.000 0.000 21.612) 21.612 1.281 ( 0.000 0.000 12.908) 12.908 1.938 ( 0.000 0.000 -20.441) 20.441 1.938 ( 0.000 -0.000 -20.441) 20.441 2.760 ( 0.000 0.000 -10.423) 10.423 2.774 ( 0.000 0.000 64.749) 64.749 3.346 ( 0.000 -0.000 5.164) 5.164 3.346 ( 0.000 0.000 5.164) 5.164 3.497 ( 0.000 0.000 -0.374) 0.374 3.650 ( 0.000 0.000 -3.338) 3.338 4.116 ( 0.000 0.000 3.487) 3.487 4.123 ( 0.000 0.000 -48.392) 48.392 4.142 ( 0.000 0.000 -3.060) 3.060 4.142 ( 0.000 0.000 -3.060) 3.060 4.468 ( 0.000 0.000 0.404) 0.404 4.468 ( 0.000 0.000 0.404) 0.404 4.677 ( 0.000 0.000 -1.655) 1.655 4.677 ( 0.000 0.000 -1.655) 1.655 4.907 ( 0.000 0.000 -0.433) 0.433 5.099 ( 0.000 -0.000 0.347) 0.347 5.099 ( 0.000 -0.000 0.347) 0.347 5.229 ( 0.000 0.000 0.903) 0.903 5.413 ( 0.000 0.000 -3.049) 3.049 5.670 ( 0.000 -0.000 8.734) 8.734 5.670 ( -0.000 -0.000 8.734) 8.734 6.063 ( 0.000 0.000 -1.566) 1.566 6.451 ( -0.000 0.000 9.951) 9.951 6.451 ( 0.000 0.000 9.951) 9.951 6.726 ( -0.000 0.000 -18.259) 18.259 6.726 ( 0.000 -0.000 -18.259) 18.259 8.071 ( 0.000 0.000 3.392) 3.392 8.071 ( -0.000 0.000 3.392) 3.392 8.220 ( 0.000 0.000 15.512) 15.512 8.242 ( 0.000 0.000 3.385) 3.385 8.242 ( 0.000 0.000 3.385) 3.385 9.031 ( 0.000 0.000 9.848) 9.848 9.031 ( 0.000 0.000 9.848) 9.848 9.265 ( -0.000 0.000 -14.095) 14.095 9.265 ( 0.000 -0.000 -14.095) 14.095 9.475 ( 0.000 0.000 -8.742) 8.742 9.938 ( 0.000 -0.000 -1.344) 1.344 9.938 ( 0.000 0.000 -1.344) 1.344 10.743 ( 0.000 0.000 2.549) 2.549 10.743 ( 0.000 -0.000 2.549) 2.549 11.797 ( 0.000 0.000 1.280) 1.280 12.020 ( 0.000 0.000 -0.604) 0.604 12.451 ( 0.000 0.000 -0.188) 0.188 12.451 ( 0.000 -0.000 -0.188) 0.188 13.678 ( 0.000 0.000 1.086) 1.086 13.678 ( 0.000 0.000 1.086) 1.086 13.786 ( 0.000 0.000 0.277) 0.277 15.902 ( 0.000 0.000 -4.269) 4.269 15.902 ( 0.000 0.000 -4.269) 4.269 16.752 ( 0.000 0.000 -0.082) 0.082 17.204 ( 0.000 0.000 5.444) 5.444 17.204 ( 0.000 -0.000 5.444) 5.444 17.695 ( 0.000 -0.000 -2.321) 2.321 17.695 ( 0.000 -0.000 -2.321) 2.321 20.096 ( 0.000 0.000 -0.013) 0.013 21.470 ( 0.000 0.000 0.066) 0.066 25.084 ( 0.000 0.000 -0.461) 0.461 26.053 ( 0.000 0.000 0.377) 0.377 ======================= Grid point 219 (38/58) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 17.120 9.884 14.046) 24.250 1.559 ( 33.099 19.110 14.684) 40.943 1.639 ( 25.849 14.924 8.575) 31.055 2.041 ( 11.069 6.391 -13.016) 18.243 2.290 ( 19.342 11.167 -14.715) 26.746 2.816 ( 9.226 5.327 49.766) 50.893 2.948 ( 14.347 8.283 -9.667) 19.181 3.345 ( 1.383 0.798 2.009) 2.566 3.412 ( 4.881 2.818 1.396) 5.807 3.500 ( 1.769 1.021 4.006) 4.497 3.646 ( 0.726 0.419 -2.708) 2.834 4.068 ( -1.095 -0.632 -34.475) 34.499 4.115 ( -1.205 -0.695 -0.286) 1.420 4.185 ( 1.852 1.069 -5.105) 5.535 4.295 ( 14.146 8.167 3.536) 16.713 4.414 ( -4.134 -2.387 0.483) 4.798 4.444 ( -1.973 -1.139 -0.201) 2.287 4.668 ( -0.342 -0.197 -2.417) 2.449 4.699 ( -0.151 -0.087 -2.729) 2.734 4.971 ( 3.354 1.937 1.101) 4.027 5.122 ( -0.941 -0.543 2.231) 2.482 5.137 ( 4.771 2.755 -0.920) 5.586 5.233 ( 1.260 0.728 -3.957) 4.217 5.440 ( 3.340 1.928 -1.361) 4.090 5.714 ( 4.973 2.871 10.325) 11.815 5.840 ( 10.334 5.966 11.228) 16.384 6.012 ( -0.516 -0.298 -5.651) 5.682 6.336 ( -3.357 -1.938 4.473) 5.919 6.597 ( -0.984 -0.568 -10.923) 10.982 6.785 ( 14.801 8.545 4.969) 17.798 6.927 ( 8.962 5.174 -16.974) 19.880 7.926 ( -7.878 -4.548 3.907) 9.900 8.046 ( -3.257 -1.881 0.876) 3.862 8.145 ( 2.172 1.254 6.316) 6.796 8.215 ( -1.489 -0.860 4.791) 5.090 8.538 ( 13.127 7.579 10.165) 18.251 8.908 ( -5.923 -3.419 11.721) 13.570 9.006 ( -7.929 -4.578 4.677) 10.280 9.276 ( -1.000 -0.577 -9.911) 9.978 9.344 ( -6.894 -3.981 -13.811) 15.941 9.412 ( 8.405 4.853 -5.459) 11.136 9.752 ( -11.023 -6.364 -1.298) 12.795 9.938 ( -1.150 -0.664 -4.159) 4.366 10.707 ( -2.969 -1.714 2.961) 4.530 10.743 ( 1.398 0.807 3.291) 3.665 11.729 ( -5.280 -3.048 2.126) 6.457 11.825 ( -6.308 -3.642 5.244) 8.975 12.427 ( -2.069 -1.195 -0.240) 2.401 12.460 ( 0.403 0.233 -0.115) 0.479 13.454 ( -7.322 -4.227 -2.225) 8.742 13.659 ( -1.278 -0.738 1.609) 2.183 14.649 ( 41.246 23.813 4.371) 47.827 15.076 ( -35.267 -20.361 -4.197) 40.938 15.951 ( 2.678 1.546 -6.977) 7.631 16.656 ( -0.075 -0.043 3.310) 3.311 17.129 ( -3.800 -2.194 8.490) 9.557 17.691 ( 0.985 0.569 -1.016) 1.525 17.763 ( 4.168 2.407 -3.221) 5.791 18.317 ( 50.989 29.438 -14.258) 60.579 19.995 ( -8.332 -4.810 0.013) 9.621 21.696 ( 18.917 10.922 -2.854) 22.029 24.824 ( -19.245 -11.111 3.680) 22.525 25.997 ( -4.729 -2.730 0.376) 5.473 ======================= Grid point 220 (39/58) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 18.832 10.873 6.591) 22.723 2.178 ( 15.239 8.798 30.066) 34.837 2.194 ( 18.716 10.806 -1.779) 21.684 2.448 ( 23.914 13.807 1.038) 27.633 2.600 ( 14.412 8.321 -14.311) 21.948 3.221 ( 5.866 3.387 -6.238) 9.208 3.327 ( 22.531 13.008 10.047) 27.889 3.455 ( 10.270 5.929 0.949) 11.897 3.569 ( 6.313 3.645 8.550) 11.236 3.662 ( 17.396 10.044 -4.588) 20.605 3.743 ( 7.634 4.407 1.257) 8.904 4.092 ( -0.484 -0.280 2.329) 2.395 4.187 ( 12.964 7.485 -17.057) 22.694 4.208 ( 0.017 0.010 -3.945) 3.945 4.297 ( -4.947 -2.856 -0.437) 5.729 4.373 ( -2.809 -1.622 -1.053) 3.410 4.565 ( 1.504 0.868 -0.801) 1.912 4.643 ( -3.414 -1.971 -4.518) 5.996 4.803 ( 15.542 8.973 4.842) 18.588 5.037 ( 5.615 3.242 1.862) 6.746 5.050 ( -4.587 -2.648 1.934) 5.638 5.226 ( -1.826 -1.054 -6.480) 6.815 5.352 ( 12.761 7.368 -0.722) 14.753 5.485 ( -3.552 -2.051 -1.803) 4.480 5.897 ( 10.651 6.149 10.178) 15.964 5.944 ( 7.772 4.487 3.565) 9.656 6.298 ( 16.561 9.562 -3.680) 19.474 6.308 ( 1.337 0.772 -4.082) 4.364 6.611 ( 3.647 2.105 -1.062) 4.343 6.984 ( 1.306 0.754 10.110) 10.222 7.141 ( 9.758 5.634 -11.763) 16.289 7.839 ( -0.328 -0.189 -2.261) 2.292 7.927 ( -6.893 -3.980 -1.684) 8.135 8.176 ( -1.832 -1.058 3.983) 4.510 8.234 ( 5.162 2.980 4.483) 7.458 8.744 ( -13.729 -7.927 0.420) 15.859 8.765 ( -6.466 -3.733 13.233) 15.194 8.813 ( 10.544 6.088 10.541) 16.104 8.957 ( -19.236 -11.106 -4.114) 22.590 9.207 ( -5.217 -3.012 -5.890) 8.425 9.532 ( -5.938 -3.428 -3.958) 7.917 9.811 ( 18.254 10.539 -10.877) 23.719 9.897 ( -2.043 -1.179 -6.785) 7.184 10.609 ( -5.574 -3.218 3.436) 7.295 10.832 ( 5.758 3.324 6.134) 9.045 11.590 ( -6.775 -3.911 -3.684) 8.647 11.817 ( 4.237 2.446 6.197) 7.896 12.362 ( -3.387 -1.955 -0.249) 3.919 12.449 ( -1.826 -1.054 -0.015) 2.108 13.293 ( -6.477 -3.740 -1.628) 7.654 13.621 ( -2.068 -1.194 1.650) 2.903 14.243 ( -25.283 -14.597 7.260) 30.084 15.734 ( 38.077 21.984 -3.301) 44.091 16.019 ( 3.042 1.756 -7.912) 8.656 16.671 ( 0.845 0.488 -0.702) 1.202 17.041 ( -3.683 -2.126 8.581) 9.577 17.725 ( 1.904 1.099 1.755) 2.813 17.871 ( 4.945 2.855 -2.396) 6.193 19.126 ( 21.028 12.141 -12.239) 27.191 19.753 ( -11.733 -6.774 0.135) 13.548 22.241 ( 25.866 14.934 -6.027) 30.470 24.364 ( -18.719 -10.807 5.232) 22.239 25.846 ( -8.203 -4.736 0.278) 9.477 ======================= Grid point 221 (40/58) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 15.283 8.824 3.988) 18.092 2.394 ( 8.148 4.704 29.855) 31.303 2.542 ( 12.948 7.475 -2.907) 15.231 2.952 ( 13.892 8.021 -16.717) 23.169 2.967 ( 18.864 10.891 2.441) 21.919 3.263 ( -0.738 -0.426 -4.700) 4.777 3.394 ( -2.498 -1.442 1.609) 3.303 3.665 ( 3.667 2.117 -0.901) 4.329 3.933 ( 8.520 4.919 3.545) 10.457 3.948 ( 3.164 1.827 -3.106) 4.796 3.961 ( 7.774 4.488 -0.309) 8.982 4.122 ( 1.232 0.711 1.310) 1.934 4.174 ( -3.222 -1.860 -0.210) 3.726 4.240 ( 4.806 2.775 -0.763) 5.601 4.348 ( 1.547 0.893 -2.106) 2.761 4.565 ( 11.596 6.695 1.966) 13.533 4.582 ( 3.612 2.086 -2.503) 4.865 4.760 ( 17.441 10.070 5.297) 20.824 4.947 ( -0.688 -0.397 -7.923) 7.963 5.047 ( 9.306 5.373 8.639) 13.788 5.164 ( -4.182 -2.414 -5.679) 7.454 5.353 ( -2.035 -1.175 -5.792) 6.250 5.377 ( 18.536 10.702 2.877) 21.596 5.673 ( 14.384 8.304 3.612) 16.997 6.146 ( 9.134 5.273 6.111) 12.189 6.205 ( 10.211 5.895 -0.921) 11.827 6.431 ( 10.161 5.866 -13.990) 18.259 6.448 ( 0.166 0.096 -5.198) 5.202 6.855 ( 6.337 3.659 10.477) 12.779 7.001 ( 10.276 5.933 11.000) 16.180 7.355 ( 7.208 4.162 -0.914) 8.373 7.763 ( -5.632 -3.252 -3.968) 7.618 7.766 ( -9.032 -5.215 -1.658) 10.561 8.134 ( -1.699 -0.981 0.029) 1.962 8.354 ( 0.767 0.443 -3.957) 4.054 8.445 ( -6.833 -3.945 -1.375) 8.009 8.579 ( -12.611 -7.281 -6.581) 15.980 8.619 ( -5.857 -3.382 12.563) 14.268 9.016 ( 6.704 3.871 11.050) 13.492 9.032 ( -10.125 -5.846 -2.361) 11.928 9.394 ( -5.776 -3.335 -6.547) 9.346 9.865 ( -0.418 -0.242 -8.200) 8.215 10.253 ( 19.105 11.030 -6.285) 22.938 10.454 ( -7.830 -4.521 3.935) 9.860 10.972 ( 5.665 3.271 11.792) 13.485 11.453 ( -4.338 -2.504 -8.798) 10.124 11.943 ( 5.406 3.121 4.477) 7.682 12.282 ( -3.403 -1.965 -0.195) 3.935 12.366 ( -5.161 -2.980 -0.181) 5.962 13.178 ( -3.186 -1.839 -0.978) 3.806 13.569 ( -2.302 -1.329 1.126) 2.887 13.790 ( -15.413 -8.898 5.747) 18.702 16.081 ( 2.112 1.220 -5.918) 6.401 16.412 ( 20.347 11.747 0.635) 23.503 16.691 ( 1.481 0.855 -5.571) 5.827 16.968 ( -2.452 -1.415 5.747) 6.406 17.777 ( 2.662 1.537 4.689) 5.607 17.977 ( 4.096 2.365 -0.992) 4.833 19.395 ( 3.336 1.926 -6.265) 7.355 19.519 ( -6.367 -3.676 0.129) 7.353 22.798 ( 21.918 12.654 -4.645) 25.731 24.004 ( -12.610 -7.280 3.042) 14.875 25.636 ( -9.726 -5.615 0.163) 11.232 ======================= Grid point 222 (41/58) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 9.035 5.216 2.030) 10.628 2.604 ( 9.876 5.702 19.569) 22.649 2.802 ( 9.517 5.495 -2.063) 11.181 3.200 ( 7.003 4.043 -11.837) 14.335 3.207 ( -3.449 -1.991 -2.726) 4.826 3.278 ( 7.798 4.502 0.586) 9.023 3.315 ( -4.247 -2.452 1.961) 5.282 3.742 ( 4.091 2.362 -0.020) 4.724 3.918 ( -4.379 -2.528 0.141) 5.058 3.954 ( -0.584 -0.337 -1.011) 1.215 4.059 ( -4.072 -2.351 -0.358) 4.716 4.069 ( -3.359 -1.939 0.960) 3.995 4.088 ( 3.953 2.282 3.321) 5.645 4.363 ( -0.454 -0.262 -1.820) 1.894 4.407 ( 7.719 4.457 -0.776) 8.947 4.619 ( -6.920 -3.995 7.716) 11.107 4.696 ( 3.376 1.949 -1.065) 4.041 4.862 ( -5.462 -3.154 -10.314) 12.090 5.044 ( -0.733 -0.423 -2.488) 2.628 5.308 ( 19.550 11.287 1.619) 22.632 5.343 ( 14.356 8.289 4.942) 17.298 5.679 ( 26.408 15.247 -2.802) 30.622 5.733 ( 12.461 7.195 2.655) 14.632 5.959 ( 9.126 5.269 12.513) 16.359 6.175 ( -9.611 -5.549 -0.873) 11.132 6.292 ( 4.225 2.439 -5.384) 7.266 6.566 ( 6.145 3.548 0.378) 7.106 6.691 ( 8.205 4.737 -16.221) 18.785 6.871 ( -0.071 -0.041 -1.059) 1.062 7.359 ( 13.740 7.933 19.403) 25.064 7.385 ( -1.517 -0.876 3.567) 3.974 7.416 ( -18.040 -10.415 -1.647) 20.896 7.728 ( -1.065 -0.615 5.695) 5.826 8.153 ( 5.725 3.305 -6.394) 9.197 8.177 ( -8.112 -4.684 -10.795) 14.292 8.393 ( -3.633 -2.098 -9.618) 10.493 8.528 ( 4.581 2.645 0.525) 5.316 8.534 ( -0.910 -0.525 6.632) 6.714 8.748 ( -14.125 -8.155 -0.309) 16.313 9.108 ( 1.441 0.832 7.552) 7.733 9.286 ( -3.128 -1.806 -6.387) 7.338 9.883 ( 1.459 0.842 -5.537) 5.787 10.266 ( -7.596 -4.386 2.968) 9.260 10.630 ( 12.479 7.205 -1.170) 14.457 11.046 ( -0.133 -0.077 9.809) 9.810 11.452 ( 5.648 3.261 -4.448) 7.894 11.991 ( -3.130 -1.807 -0.735) 3.688 12.216 ( -2.116 -1.222 -0.064) 2.444 12.262 ( -2.131 -1.230 1.529) 2.897 13.152 ( 0.722 0.417 -0.802) 1.157 13.506 ( -9.508 -5.489 4.293) 11.789 13.524 ( -1.421 -0.820 0.145) 1.647 16.105 ( -0.103 -0.060 -0.713) 0.723 16.607 ( 0.015 0.009 -4.066) 4.066 16.814 ( 6.700 3.868 -1.689) 7.919 16.938 ( -0.026 -0.015 -0.058) 0.065 17.845 ( 3.005 1.735 5.481) 6.487 18.049 ( 2.040 1.178 0.580) 2.426 19.333 ( -3.248 -1.875 -0.957) 3.871 19.501 ( 0.303 0.175 -1.886) 1.918 23.224 ( 14.808 8.549 -2.492) 17.279 23.777 ( -7.577 -4.375 0.850) 8.790 25.428 ( -7.569 -4.370 0.109) 8.741 ======================= Grid point 223 (42/58) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 1.895 1.094 -2.384) 3.236 2.810 ( 6.674 3.853 7.016) 10.422 2.925 ( -1.132 -0.654 1.159) 1.747 3.123 ( -1.416 -0.817 0.403) 1.684 3.166 ( -6.567 -3.792 6.343) 9.886 3.316 ( 2.523 1.457 -8.929) 9.392 3.372 ( 0.855 0.493 -2.064) 2.288 3.819 ( -4.381 -2.529 0.702) 5.107 3.846 ( 4.340 2.506 -1.046) 5.119 3.939 ( -0.453 -0.261 -0.396) 0.656 4.013 ( -0.314 -0.181 -0.040) 0.365 4.035 ( 0.494 0.285 0.575) 0.810 4.148 ( 1.075 0.621 3.221) 3.452 4.348 ( -0.544 -0.314 -0.941) 1.132 4.487 ( -1.984 -1.145 7.997) 8.318 4.562 ( 2.185 1.262 0.569) 2.587 4.717 ( -1.172 -0.677 1.850) 2.293 4.724 ( -0.821 -0.474 -10.181) 10.225 5.015 ( -1.654 -0.955 -0.280) 1.930 5.568 ( 3.686 2.128 -2.250) 4.815 5.621 ( -0.197 -0.114 5.249) 5.253 5.913 ( -5.814 -3.357 -7.332) 9.941 5.918 ( 0.789 0.455 1.352) 1.630 6.050 ( -0.215 -0.124 17.060) 17.061 6.313 ( 22.953 13.252 6.302) 27.243 6.375 ( 3.636 2.099 -13.785) 14.410 6.455 ( -17.769 -10.259 -6.328) 21.472 6.665 ( -9.030 -5.214 -2.439) 10.709 6.846 ( -1.262 -0.729 2.433) 2.836 7.162 ( 0.651 0.376 -2.561) 2.669 7.419 ( 1.006 0.581 -3.246) 3.448 7.633 ( 10.006 5.777 20.261) 23.324 7.695 ( 3.200 1.847 6.762) 7.706 7.985 ( -9.698 -5.599 -13.439) 17.493 8.247 ( -9.729 -5.617 5.993) 12.732 8.346 ( -1.745 -1.007 -4.457) 4.891 8.513 ( 3.873 2.236 -0.620) 4.515 8.603 ( 6.603 3.812 -9.109) 11.878 8.617 ( 3.382 1.953 -7.714) 8.646 9.124 ( 1.074 0.620 3.841) 4.037 9.248 ( -0.629 -0.363 -3.907) 3.974 9.853 ( -5.219 -3.013 5.293) 8.021 10.198 ( 3.065 1.770 -3.731) 5.142 10.767 ( -2.001 -1.155 6.799) 7.180 11.016 ( 0.425 0.245 0.809) 0.946 11.653 ( 6.226 3.595 0.197) 7.192 11.830 ( -5.995 -3.461 -1.692) 7.126 12.191 ( -0.061 -0.035 0.089) 0.114 12.265 ( 0.949 0.548 0.897) 1.416 13.172 ( -0.619 -0.357 0.017) 0.715 13.391 ( 1.269 0.733 2.011) 2.488 13.511 ( 0.436 0.252 -0.906) 1.036 16.076 ( -2.260 -1.305 4.731) 5.403 16.578 ( -1.630 -0.941 -3.663) 4.118 16.879 ( -1.067 -0.616 1.713) 2.110 16.968 ( 2.465 1.423 -6.001) 6.642 17.900 ( 1.499 0.866 3.049) 3.506 18.066 ( -0.629 -0.363 2.094) 2.217 19.299 ( -0.006 -0.003 -0.500) 0.500 19.502 ( 0.208 0.120 -1.516) 1.535 23.427 ( 0.329 0.190 -1.829) 1.868 23.668 ( -0.063 -0.036 -0.154) 0.170 25.331 ( -0.151 -0.087 0.284) 0.333 ======================= Grid point 225 (43/58) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -9.525 -5.499 -2.259) 11.228 2.784 ( -9.716 -5.609 8.605) 14.139 2.794 ( -7.215 -4.166 -1.929) 8.552 3.086 ( -0.384 -0.222 -3.207) 3.238 3.140 ( 1.110 0.641 3.910) 4.115 3.308 ( -7.340 -4.238 -2.488) 8.833 3.365 ( 1.836 1.060 -6.193) 6.545 3.695 ( -5.348 -3.088 2.876) 6.813 3.940 ( 0.325 0.187 0.398) 0.547 3.950 ( 4.459 2.574 -2.184) 5.593 4.057 ( 4.568 2.637 -0.186) 5.278 4.084 ( 3.555 2.053 -0.478) 4.133 4.128 ( -2.768 -1.598 -0.872) 3.313 4.341 ( -0.318 -0.184 0.259) 0.450 4.366 ( -7.366 -4.253 3.967) 9.385 4.646 ( -5.004 -2.889 3.340) 6.674 4.672 ( 4.146 2.394 8.979) 10.176 4.788 ( 2.993 1.728 -8.654) 9.319 5.002 ( 2.073 1.197 1.777) 2.981 5.369 ( -12.463 -7.195 -5.200) 15.301 5.479 ( -10.770 -6.218 -7.208) 14.374 5.560 ( -31.077 -17.943 6.541) 36.476 5.777 ( -10.805 -6.238 -2.534) 12.731 5.965 ( -8.560 -4.942 13.032) 16.357 6.170 ( -2.128 -1.228 1.643) 2.956 6.309 ( -10.141 -5.855 -0.816) 11.738 6.507 ( -2.815 -1.625 -5.190) 6.124 6.605 ( -3.684 -2.127 -3.455) 5.481 6.917 ( 11.359 6.558 -4.131) 13.751 7.349 ( 13.013 7.513 3.209) 15.365 7.424 ( 1.594 0.920 0.894) 2.046 7.649 ( -15.748 -9.092 -6.316) 19.250 7.734 ( -10.594 -6.116 3.185) 12.640 7.888 ( 8.697 5.021 14.317) 17.488 8.003 ( 1.522 0.879 6.708) 6.934 8.322 ( 0.179 0.103 -1.910) 1.921 8.658 ( -0.089 -0.051 -12.733) 12.734 8.665 ( 7.199 4.156 -2.261) 8.615 8.866 ( 12.975 7.491 -13.748) 20.334 9.168 ( 1.692 0.977 5.514) 5.850 9.262 ( 2.642 1.525 -7.172) 7.794 9.720 ( -4.645 -2.682 9.931) 11.287 10.339 ( 7.512 4.337 -3.452) 9.336 10.564 ( -13.920 -8.037 5.602) 17.022 11.093 ( 5.187 2.995 4.918) 7.749 11.470 ( -13.542 -7.818 -5.881) 16.706 11.937 ( 5.760 3.326 4.102) 7.815 12.214 ( 2.036 1.176 0.158) 2.357 12.291 ( 1.955 1.129 -1.074) 2.500 13.140 ( -0.599 -0.346 0.384) 0.791 13.542 ( 2.086 1.204 -1.530) 2.854 13.551 ( 11.071 6.392 0.056) 12.784 16.013 ( -3.021 -1.744 7.032) 7.850 16.551 ( -0.603 -0.348 0.632) 0.940 16.761 ( -9.667 -5.581 3.731) 11.769 17.041 ( 3.636 2.099 -8.881) 9.823 17.907 ( -0.902 -0.521 -0.430) 1.126 18.021 ( -3.197 -1.846 3.306) 4.955 19.330 ( 2.988 1.725 -0.617) 3.505 19.511 ( 0.214 0.123 -2.891) 2.901 23.231 ( -14.805 -8.548 -3.155) 17.384 23.778 ( 7.753 4.476 0.669) 8.978 25.423 ( 7.447 4.299 0.600) 8.620 ======================= Grid point 226 (44/58) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -17.976 -10.378 3.480) 21.046 2.496 ( -13.524 -7.808 22.171) 27.119 2.602 ( -10.659 -6.154 -8.363) 14.881 2.992 ( -9.434 -5.447 -21.382) 23.997 3.006 ( -18.525 -10.696 -0.674) 21.402 3.159 ( 0.338 0.195 4.623) 4.639 3.401 ( 1.340 0.773 0.157) 1.555 3.623 ( -1.882 -1.086 3.121) 3.803 3.916 ( -5.088 -2.938 -0.389) 5.888 3.980 ( -7.098 -4.098 -2.213) 8.490 4.007 ( -6.220 -3.591 -3.402) 7.947 4.151 ( 0.606 0.350 -1.257) 1.439 4.169 ( 3.905 2.255 -0.202) 4.514 4.211 ( -9.764 -5.637 1.848) 11.425 4.316 ( -1.099 -0.635 0.933) 1.575 4.507 ( -6.206 -3.583 7.591) 10.439 4.534 ( -2.325 -1.342 2.238) 3.495 4.748 ( -28.290 -16.333 1.136) 32.686 5.028 ( 8.004 4.621 -5.564) 10.788 5.089 ( 3.106 1.793 0.460) 3.616 5.206 ( -10.873 -6.277 -5.890) 13.868 5.247 ( 2.020 1.166 -0.123) 2.336 5.404 ( -21.066 -12.163 -0.319) 24.327 5.656 ( -15.706 -9.068 5.119) 18.844 6.108 ( -5.857 -3.382 7.635) 10.200 6.164 ( -4.727 -2.729 11.266) 12.519 6.387 ( -5.443 -3.142 -17.279) 18.386 6.408 ( -9.116 -5.263 -0.598) 10.543 7.158 ( 6.766 3.906 -12.316) 14.585 7.175 ( -19.983 -11.537 -12.127) 26.067 7.255 ( -16.569 -9.566 8.750) 21.038 7.652 ( 7.319 4.225 6.418) 10.611 7.685 ( 9.610 5.549 7.085) 13.166 8.098 ( 10.239 5.912 18.122) 21.638 8.130 ( 5.301 3.061 -0.020) 6.121 8.348 ( 1.165 0.673 4.431) 4.631 8.668 ( 2.783 1.607 -9.538) 10.065 8.842 ( 7.798 4.502 -4.014) 9.858 9.110 ( 7.568 4.370 -14.355) 16.806 9.169 ( -0.740 -0.427 -2.028) 2.201 9.379 ( 6.614 3.819 -6.266) 9.879 9.681 ( 1.460 0.843 10.400) 10.536 10.176 ( -19.055 -11.001 1.442) 22.050 10.504 ( 6.587 3.803 -0.971) 7.668 11.153 ( -13.373 -7.721 -4.028) 15.959 11.236 ( 7.076 4.085 10.317) 13.160 11.966 ( -2.610 -1.507 1.747) 3.484 12.278 ( 3.401 1.964 0.110) 3.929 12.371 ( 4.323 2.496 -0.498) 5.016 13.172 ( 3.448 1.990 -0.318) 3.994 13.597 ( 2.481 1.432 -1.438) 3.205 13.866 ( 16.369 9.451 -1.244) 18.943 15.947 ( -2.542 -1.468 6.065) 6.738 16.401 ( -21.537 -12.434 1.504) 24.914 16.558 ( 0.334 0.193 6.504) 6.515 17.124 ( 3.494 2.018 -8.550) 9.455 17.863 ( -2.745 -1.585 -3.069) 4.411 17.926 ( -4.931 -2.847 3.913) 6.909 19.389 ( -2.440 -1.409 -4.908) 5.660 19.536 ( 5.395 3.115 -2.099) 6.573 22.801 ( -22.278 -12.862 -4.885) 26.184 24.009 ( 12.635 7.295 2.623) 14.824 25.630 ( 9.815 5.666 0.669) 11.353 ======================= Grid point 227 (45/58) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -20.597 -11.892 9.218) 25.507 2.181 ( -16.138 -9.317 26.224) 32.171 2.245 ( -22.181 -12.806 -2.171) 25.705 2.525 ( -20.432 -11.797 -8.830) 25.192 2.648 ( -18.906 -10.915 -16.566) 27.405 3.145 ( -2.764 -1.596 1.875) 3.702 3.382 ( -14.876 -8.589 7.115) 18.593 3.457 ( -14.745 -8.513 3.120) 17.310 3.579 ( -9.914 -5.724 12.629) 17.045 3.605 ( -18.140 -10.473 -0.170) 20.947 3.806 ( -9.447 -5.455 -5.746) 12.330 4.002 ( -1.608 -0.928 -8.858) 9.050 4.153 ( 0.601 0.347 -2.997) 3.076 4.263 ( -7.957 -4.594 -8.594) 12.581 4.307 ( 6.000 3.464 -1.271) 7.044 4.351 ( 2.986 1.724 0.906) 3.565 4.543 ( 0.562 0.325 1.128) 1.302 4.628 ( 5.628 3.249 -2.395) 6.926 4.825 ( -21.357 -12.330 2.896) 24.830 5.094 ( -4.644 -2.681 -3.767) 6.553 5.134 ( 1.636 0.945 1.391) 2.346 5.179 ( 3.607 2.082 -8.998) 9.915 5.316 ( -13.231 -7.639 2.676) 15.511 5.370 ( 5.257 3.035 8.335) 10.311 5.914 ( -7.987 -4.611 6.656) 11.374 5.966 ( -10.693 -6.174 6.842) 14.116 6.209 ( -10.426 -6.019 1.591) 12.143 6.389 ( 4.565 2.636 -16.297) 17.128 6.748 ( -13.952 -8.055 -9.780) 18.847 6.900 ( -13.508 -7.799 12.493) 19.984 7.237 ( -3.017 -1.742 -15.457) 15.844 7.758 ( 1.487 0.858 7.198) 7.399 7.844 ( 8.079 4.664 6.008) 11.096 8.217 ( 2.434 1.405 -0.444) 2.845 8.258 ( -1.842 -1.063 1.389) 2.540 8.501 ( 15.573 8.991 19.684) 26.662 8.727 ( -1.108 -0.640 6.865) 6.983 9.001 ( 5.788 3.342 -2.376) 7.093 9.210 ( 1.711 0.988 -12.672) 12.826 9.217 ( 6.769 3.908 -12.835) 15.028 9.542 ( 7.458 4.306 -4.397) 9.669 9.739 ( -17.430 -10.063 -4.706) 20.669 9.766 ( 5.092 2.940 6.309) 8.624 10.634 ( 4.690 2.708 0.897) 5.489 10.881 ( -9.670 -5.583 1.483) 11.264 11.422 ( 9.267 5.350 12.425) 16.398 11.875 ( -4.068 -2.349 0.216) 4.702 12.359 ( 3.433 1.982 0.004) 3.964 12.448 ( 1.957 1.130 0.103) 2.262 13.292 ( 6.693 3.864 -1.480) 7.869 13.647 ( 1.757 1.014 -0.729) 2.155 14.320 ( 24.095 13.911 0.413) 27.825 15.733 ( -36.695 -21.186 -3.838) 42.545 15.901 ( -1.416 -0.817 3.095) 3.500 16.578 ( 1.122 0.648 7.967) 8.071 17.194 ( 2.473 1.428 -5.737) 6.408 17.790 ( -3.378 -1.950 -3.955) 5.555 17.807 ( -5.077 -2.931 3.405) 6.780 19.127 ( -21.243 -12.265 -12.370) 27.472 19.756 ( 11.493 6.636 -0.197) 13.273 22.236 ( -26.022 -15.024 -5.596) 30.564 24.367 ( 18.598 10.738 4.942) 22.037 25.843 ( 8.342 4.816 0.519) 9.646 ======================= Grid point 228 (46/58) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -16.167 -9.334 17.233) 25.406 1.600 ( -32.035 -18.496 12.924) 39.184 1.640 ( -26.242 -15.151 8.844) 31.565 2.135 ( -13.664 -7.889 -19.605) 25.165 2.227 ( -20.294 -11.717 -11.689) 26.187 2.832 ( -11.083 -6.399 50.184) 51.790 2.941 ( -13.212 -7.628 -8.848) 17.636 3.350 ( -3.049 -1.760 7.028) 7.860 3.401 ( -1.231 -0.711 -2.026) 2.475 3.490 ( -1.675 -0.967 3.498) 3.997 3.657 ( -2.373 -1.370 -3.278) 4.273 4.048 ( 4.084 2.358 -31.233) 31.587 4.157 ( -0.376 -0.217 -3.748) 3.773 4.159 ( -2.440 -1.408 -5.863) 6.505 4.299 ( -14.139 -8.163 2.826) 16.569 4.424 ( 3.794 2.191 -0.394) 4.399 4.432 ( 2.122 1.225 0.962) 2.633 4.647 ( 1.395 0.805 -0.288) 1.636 4.708 ( 0.349 0.201 -3.532) 3.555 4.993 ( -5.899 -3.406 -1.079) 6.896 5.116 ( -2.956 -1.706 1.047) 3.570 5.150 ( -1.728 -0.998 1.666) 2.600 5.210 ( 0.713 0.412 -3.059) 3.168 5.414 ( -0.036 -0.021 0.813) 0.814 5.759 ( -6.682 -3.858 6.850) 10.318 5.782 ( -7.200 -4.157 13.060) 15.482 6.015 ( -0.890 -0.514 -4.022) 4.151 6.516 ( -8.049 -4.647 -2.194) 9.550 6.536 ( 7.517 4.340 -17.202) 19.267 6.638 ( -9.437 -5.448 12.533) 16.608 7.006 ( -14.187 -8.191 -15.862) 22.803 7.904 ( 10.472 6.046 6.785) 13.865 7.998 ( 5.100 2.945 5.176) 7.841 8.178 ( -3.597 -2.077 2.880) 5.054 8.248 ( 0.405 0.234 1.198) 1.286 8.520 ( -11.613 -6.705 11.534) 17.688 8.874 ( 10.699 6.177 12.813) 17.799 9.085 ( 0.717 0.414 5.602) 5.663 9.227 ( 0.879 0.508 -15.481) 15.514 9.383 ( -6.574 -3.795 -3.517) 8.366 9.407 ( 2.907 1.679 -15.496) 15.855 9.793 ( 11.528 6.656 -4.367) 14.010 9.876 ( 4.001 2.310 1.878) 4.987 10.717 ( 2.459 1.420 1.973) 3.457 10.742 ( -2.061 -1.190 3.463) 4.202 11.677 ( 12.692 7.328 8.378) 16.881 11.834 ( 2.217 1.280 3.220) 4.114 12.425 ( 2.132 1.231 -0.103) 2.464 12.462 ( -0.385 -0.223 -0.260) 0.515 13.454 ( 7.169 4.139 -2.308) 8.594 13.675 ( 0.664 0.383 0.232) 0.801 14.635 ( -39.195 -22.629 4.668) 45.499 15.144 ( 31.179 18.001 -9.794) 37.311 15.885 ( 0.010 0.006 -0.661) 0.661 16.612 ( 2.266 1.308 7.714) 8.145 17.229 ( 0.362 0.209 -0.512) 0.661 17.712 ( -2.772 -1.600 0.950) 3.338 17.715 ( -3.413 -1.970 -3.425) 5.221 18.313 ( -50.627 -29.230 -13.764) 60.058 19.996 ( 8.285 4.784 -0.023) 9.567 21.694 ( -18.693 -10.792 -2.596) 21.740 24.824 ( 19.187 11.077 3.633) 22.451 25.997 ( 4.776 2.757 0.407) 5.529 ======================= Grid point 230 (47/58) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 16.108 21.999 8.931) 28.691 2.038 ( 11.684 21.491 21.254) 32.405 2.108 ( 14.968 27.836 3.009) 31.748 2.391 ( 7.940 25.225 -7.505) 27.489 2.512 ( 8.242 12.909 -10.879) 18.786 3.161 ( 13.474 28.273 22.726) 38.696 3.211 ( 11.673 13.930 -6.402) 19.269 3.393 ( 0.769 5.177 0.826) 5.298 3.459 ( 4.469 2.404 1.122) 5.197 3.555 ( 3.129 5.046 6.251) 8.621 3.743 ( 4.085 10.412 -2.892) 11.553 4.033 ( 3.264 -1.586 -14.684) 15.126 4.170 ( 0.651 3.077 -4.122) 5.185 4.202 ( 1.077 3.060 -8.620) 9.210 4.335 ( -3.397 -4.917 -0.059) 5.977 4.386 ( -1.273 -3.712 -0.374) 3.942 4.567 ( 5.335 8.682 0.882) 10.228 4.626 ( -0.724 -1.564 -1.157) 2.075 4.719 ( 5.296 8.384 0.321) 9.922 5.045 ( -1.757 1.393 0.539) 2.306 5.113 ( -3.734 3.071 1.357) 5.022 5.180 ( 3.811 -0.284 -1.789) 4.220 5.275 ( 4.853 4.794 -4.745) 8.310 5.439 ( 2.610 -3.142 2.721) 4.908 5.816 ( 2.436 5.815 7.267) 9.621 5.937 ( 4.385 8.546 6.717) 11.721 6.176 ( 11.145 14.712 -0.845) 18.476 6.470 ( -8.828 11.123 -3.014) 14.517 6.520 ( 4.777 -3.623 -8.660) 10.533 6.884 ( 8.790 6.450 4.649) 11.853 7.165 ( 0.782 10.280 -11.653) 15.559 7.803 ( 0.568 -4.898 3.200) 5.878 7.931 ( -0.702 -7.904 3.836) 8.813 8.202 ( -1.872 0.868 3.196) 3.804 8.230 ( -0.297 2.417 0.184) 2.442 8.650 ( 0.478 -11.279 17.849) 21.120 8.739 ( 3.002 0.778 6.302) 7.023 8.984 ( -8.645 -1.467 2.526) 9.126 9.139 ( -11.588 -8.389 -6.939) 15.900 9.255 ( -3.885 -3.039 -9.023) 10.283 9.601 ( -5.339 -5.241 -6.211) 9.724 9.637 ( 12.334 12.577 -7.683) 19.218 9.866 ( 2.177 -5.522 -2.018) 6.269 10.641 ( -3.880 -4.969 2.191) 6.674 10.818 ( 2.906 7.464 3.863) 8.893 11.581 ( 2.897 -10.463 8.662) 13.889 11.794 ( -2.920 2.270 -0.062) 3.699 12.379 ( -1.800 -3.310 -0.084) 3.768 12.463 ( -0.315 -0.578 0.049) 0.660 13.333 ( -4.136 -7.127 -1.863) 8.448 13.650 ( -1.588 -0.658 0.515) 1.794 14.445 ( -18.506 -26.260 5.644) 32.617 15.490 ( 23.168 40.894 -6.108) 47.396 15.954 ( 5.630 0.459 -3.274) 6.529 16.616 ( 2.457 -2.431 5.739) 6.699 17.146 ( -6.733 0.740 0.992) 6.845 17.720 ( -0.168 2.693 0.218) 2.707 17.821 ( 4.262 3.626 -1.757) 5.865 18.978 ( 16.308 28.182 -13.882) 35.395 19.825 ( -6.682 -11.407 0.000) 13.220 22.080 ( 14.961 25.488 -5.444) 30.051 24.484 ( -11.546 -19.820 5.300) 23.542 25.892 ( -4.323 -7.643 0.389) 8.789 ======================= Grid point 231 (48/58) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 10.704 24.109 2.878) 26.535 2.329 ( 7.255 8.737 29.451) 31.565 2.577 ( 7.687 25.811 -0.661) 26.940 2.807 ( 13.032 12.182 -18.303) 25.559 2.884 ( 13.348 26.787 1.370) 29.960 3.385 ( -4.226 7.927 -2.242) 9.259 3.420 ( -2.116 4.422 -0.661) 4.947 3.601 ( 7.346 3.659 -0.300) 8.213 3.688 ( 17.943 2.174 2.271) 18.216 3.810 ( 15.432 14.688 3.763) 21.634 3.940 ( 3.467 6.167 -2.385) 7.466 4.127 ( 4.938 5.466 3.293) 8.069 4.196 ( -1.197 -0.398 2.221) 2.555 4.238 ( -1.663 -1.277 -2.591) 3.333 4.325 ( 0.377 -2.933 -0.972) 3.112 4.365 ( 13.105 5.236 -0.895) 14.141 4.547 ( 1.639 -1.721 -5.528) 6.017 4.625 ( 2.478 2.325 -3.842) 5.129 4.977 ( -3.540 -3.739 -0.102) 5.150 5.021 ( 1.346 7.885 7.159) 10.735 5.174 ( 3.284 2.545 -6.259) 7.513 5.262 ( 11.680 15.432 1.775) 19.435 5.336 ( -1.770 -8.268 -5.038) 9.843 5.524 ( 9.869 7.578 2.615) 12.715 6.006 ( 11.690 8.328 1.175) 14.401 6.165 ( 6.138 12.387 7.254) 15.612 6.389 ( 2.431 3.810 -12.592) 13.378 6.538 ( -3.594 12.303 -2.663) 13.091 6.683 ( 16.114 6.839 10.085) 20.203 7.019 ( 0.451 8.222 6.056) 10.222 7.268 ( 6.350 3.920 -9.156) 11.812 7.763 ( -2.744 -8.033 0.450) 8.500 7.812 ( -3.714 -7.535 1.842) 8.600 8.146 ( -2.470 -3.057 2.251) 4.529 8.282 ( 3.767 0.325 -1.405) 4.034 8.464 ( -2.751 -10.825 8.251) 13.886 8.688 ( -10.609 -8.330 -3.407) 13.912 8.826 ( -9.828 -1.980 -4.860) 11.141 8.948 ( -1.169 2.590 10.190) 10.579 9.185 ( -5.079 3.585 3.636) 7.202 9.487 ( -4.947 -0.028 -10.486) 11.594 9.831 ( 0.930 -4.886 -5.478) 7.399 10.026 ( 17.616 10.484 -6.497) 21.505 10.493 ( -5.506 -8.361 2.640) 10.353 10.964 ( 3.184 9.652 7.866) 12.852 11.496 ( -3.089 -5.849 -2.864) 7.208 11.832 ( 5.242 -0.261 3.259) 6.178 12.314 ( -2.092 -1.966 0.058) 2.872 12.420 ( -3.398 -2.340 -0.176) 4.129 13.202 ( -3.415 -4.861 -1.039) 6.031 13.612 ( -2.441 0.023 0.625) 2.520 13.951 ( -15.399 -13.873 5.157) 21.358 16.027 ( 5.590 1.669 -6.265) 8.561 16.238 ( 19.162 23.808 1.294) 30.589 16.638 ( 3.247 -2.473 0.828) 4.164 17.042 ( -5.888 0.506 1.766) 6.167 17.751 ( 1.264 1.442 2.730) 3.336 17.925 ( 4.121 2.572 -1.101) 4.981 19.350 ( 6.994 8.783 -8.228) 13.919 19.585 ( -7.836 -9.201 0.163) 12.087 22.614 ( 18.145 21.157 -5.402) 28.391 24.119 ( -11.232 -12.559 3.853) 17.284 25.707 ( -7.167 -9.095 0.272) 11.583 ======================= Grid point 232 (49/58) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 5.378 21.456 3.937) 22.468 2.546 ( 6.284 12.459 19.137) 23.684 2.894 ( -0.102 25.857 0.528) 25.862 3.105 ( 9.532 7.453 -13.789) 18.345 3.303 ( 4.402 17.263 0.884) 17.838 3.362 ( -2.492 5.575 0.888) 6.171 3.387 ( -8.609 9.653 -2.638) 13.200 3.682 ( 2.883 -0.293 -0.066) 2.899 3.936 ( 1.642 -2.249 -1.556) 3.190 3.960 ( 1.380 -0.693 1.442) 2.114 3.982 ( 5.363 0.079 2.110) 5.763 4.113 ( -4.655 -3.426 0.140) 5.781 4.119 ( -4.881 -2.002 0.151) 5.278 4.305 ( 6.289 2.101 -1.223) 6.742 4.330 ( 0.845 -4.158 -0.819) 4.321 4.629 ( 4.744 1.487 1.515) 5.197 4.713 ( -0.985 4.614 0.104) 4.720 4.826 ( 17.070 1.677 1.618) 17.228 4.995 ( 14.593 4.831 -1.550) 15.450 5.046 ( -1.093 -2.379 -2.870) 3.884 5.265 ( 5.921 4.240 0.704) 7.316 5.342 ( 17.842 3.797 -4.445) 18.775 5.698 ( 9.058 21.731 3.810) 23.849 5.759 ( 12.922 -1.447 5.575) 14.148 6.201 ( -4.326 -5.284 -3.503) 7.676 6.335 ( 10.881 13.530 -3.087) 17.635 6.493 ( -1.097 4.080 3.386) 5.414 6.647 ( 5.032 11.277 -9.528) 15.597 6.891 ( 3.236 1.969 2.093) 4.328 7.234 ( 8.870 11.535 11.103) 18.304 7.416 ( 3.732 2.004 2.849) 5.105 7.499 ( -9.704 -16.623 2.151) 19.368 7.715 ( 0.363 -0.451 0.474) 0.748 8.080 ( 0.189 -4.280 -2.049) 4.749 8.264 ( -3.308 -4.282 -10.509) 11.821 8.438 ( 2.803 0.702 1.044) 3.072 8.478 ( -5.564 -1.207 -3.349) 6.605 8.662 ( -7.771 1.786 1.873) 8.190 8.845 ( -8.910 -6.233 0.003) 10.874 9.162 ( -3.033 2.180 8.910) 9.661 9.438 ( -7.193 11.295 -6.081) 14.707 9.816 ( 3.639 -4.518 -7.221) 9.262 10.283 ( -4.946 -11.386 2.792) 12.724 10.442 ( 17.282 6.916 -3.600) 18.960 11.073 ( -0.895 5.185 13.415) 14.410 11.421 ( 0.221 -0.378 -8.053) 8.065 11.905 ( 5.513 -6.079 1.650) 8.371 12.285 ( -2.989 2.144 -0.138) 3.681 12.303 ( -4.600 -3.186 0.547) 5.622 13.136 ( -0.067 -2.150 -0.755) 2.279 13.556 ( -4.416 -3.581 1.170) 5.804 13.636 ( -9.524 -3.121 4.164) 10.853 16.098 ( 1.830 1.002 -3.930) 4.449 16.581 ( 3.452 2.173 0.906) 4.178 16.745 ( 7.178 6.398 -3.967) 10.402 16.974 ( -2.216 2.202 1.024) 3.288 17.793 ( 3.063 -0.386 5.166) 6.018 18.006 ( 3.220 0.648 0.152) 3.288 19.383 ( -4.994 -2.746 -1.532) 5.902 19.481 ( 1.671 -0.492 -2.368) 2.940 23.085 ( 14.858 15.576 -3.262) 21.771 23.859 ( -7.959 -6.834 1.601) 10.611 25.485 ( -7.189 -9.413 0.115) 11.845 ======================= Grid point 233 (50/58) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -4.308 20.847 -0.566) 21.295 2.765 ( 6.262 10.281 12.953) 17.683 3.099 ( -4.656 23.381 1.091) 23.865 3.222 ( -2.462 -1.494 -1.098) 3.082 3.285 ( -5.588 4.297 -2.042) 7.339 3.313 ( -7.450 8.744 -4.503) 12.338 3.522 ( -4.639 17.349 -1.383) 18.011 3.748 ( 6.380 -2.356 2.343) 7.193 3.853 ( -3.347 -3.741 -1.292) 5.184 3.948 ( -0.942 -0.329 -0.618) 1.173 4.018 ( -1.527 -2.035 0.278) 2.560 4.027 ( 0.188 -0.331 0.211) 0.435 4.119 ( 2.653 0.802 3.428) 4.408 4.298 ( 1.934 -5.833 -0.286) 6.152 4.469 ( 9.087 2.551 -1.884) 9.624 4.528 ( -6.051 -4.998 7.207) 10.655 4.672 ( -2.552 -3.903 -4.334) 6.367 4.907 ( -8.075 8.446 -4.214) 12.421 4.999 ( 0.989 -3.536 -2.609) 4.504 5.408 ( 19.464 -0.360 4.009) 19.876 5.570 ( 10.298 11.428 0.997) 15.416 5.821 ( 22.907 -1.258 -0.789) 22.955 5.901 ( 8.175 -8.480 2.841) 12.116 5.938 ( 6.474 4.236 -0.030) 7.737 6.076 ( -1.371 6.388 5.112) 8.296 6.382 ( -7.860 -5.022 -4.606) 10.403 6.587 ( -1.593 3.454 -2.946) 4.811 6.731 ( 0.187 -5.604 -2.872) 6.300 6.821 ( -6.879 -4.921 -3.227) 9.053 7.201 ( -2.130 -3.789 2.160) 4.854 7.452 ( 2.866 6.143 -0.633) 6.808 7.551 ( 5.072 10.078 15.878) 19.478 7.765 ( -1.286 6.288 7.136) 9.597 8.030 ( -3.724 -6.730 -5.919) 9.706 8.275 ( 6.950 5.296 -11.373) 14.342 8.390 ( -4.725 0.560 -4.431) 6.501 8.489 ( 0.055 -4.828 -0.810) 4.896 8.574 ( -5.713 -4.301 -1.513) 7.309 8.645 ( -4.584 8.080 -0.825) 9.326 9.120 ( -0.157 -2.253 1.971) 2.997 9.434 ( -9.219 15.411 -0.752) 17.974 9.856 ( 2.191 -2.347 -2.176) 3.879 10.094 ( 0.740 -12.560 -0.244) 12.585 10.742 ( 8.132 4.240 1.612) 9.311 11.022 ( -3.386 -3.171 5.481) 7.181 11.528 ( 8.703 2.961 0.486) 9.205 11.873 ( -2.229 -6.686 -2.429) 7.454 12.169 ( -2.119 -3.880 0.015) 4.421 12.315 ( -1.406 5.001 1.430) 5.389 13.149 ( 2.230 -0.687 -0.434) 2.373 13.386 ( -3.814 -6.232 3.276) 8.008 13.574 ( -3.531 5.225 0.104) 6.307 16.110 ( -1.455 0.737 0.708) 1.777 16.594 ( -0.833 -0.781 -4.002) 4.162 16.829 ( 2.631 -2.262 -3.230) 4.741 17.022 ( -1.285 7.737 0.232) 7.847 17.845 ( 4.124 -2.287 4.695) 6.654 18.044 ( 1.489 -1.219 1.540) 2.465 19.311 ( -1.552 -0.265 -0.601) 1.685 19.486 ( 0.639 -1.632 -1.412) 2.251 23.408 ( 6.992 9.532 -1.684) 11.941 23.700 ( -4.838 -3.134 0.021) 5.765 25.312 ( -2.033 -7.015 0.064) 7.304 ======================= Grid point 234 (51/58) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( -14.255 12.703 -1.995) 19.197 2.872 ( -5.096 1.722 4.925) 7.293 3.097 ( -9.076 3.141 4.868) 10.767 3.143 ( -12.845 17.083 0.045) 21.373 3.258 ( -4.166 12.417 2.480) 13.330 3.326 ( 0.308 1.680 -6.354) 6.580 3.547 ( -10.580 13.848 -3.433) 17.762 3.734 ( -3.219 -5.635 1.269) 6.612 3.863 ( 5.483 -0.116 -1.083) 5.590 3.946 ( 1.345 0.729 -0.440) 1.591 4.018 ( 0.108 -0.721 1.111) 1.329 4.031 ( 2.867 0.924 -0.900) 3.144 4.139 ( -0.346 -1.413 1.733) 2.262 4.301 ( 3.215 -3.642 -0.726) 4.912 4.395 ( -3.931 -7.241 6.217) 10.322 4.588 ( 3.807 2.440 2.287) 5.067 4.685 ( 6.013 0.610 -5.935) 8.471 4.848 ( -8.127 7.039 0.044) 10.752 4.976 ( 0.007 -1.665 0.594) 1.768 5.441 ( -7.732 -14.149 1.696) 16.213 5.622 ( -7.370 -4.434 -5.698) 10.318 5.745 ( -10.655 -13.281 1.170) 17.067 5.835 ( -3.522 -19.245 10.293) 22.107 5.974 ( -9.556 2.028 -2.910) 10.193 6.285 ( 2.155 1.260 -9.758) 10.073 6.385 ( 10.603 1.696 -3.838) 11.403 6.485 ( 2.792 3.834 6.396) 7.963 6.645 ( -12.230 2.072 2.254) 12.608 6.751 ( 8.718 -5.689 3.627) 11.024 7.243 ( 6.022 4.701 -2.479) 8.032 7.491 ( -4.692 3.712 -1.698) 6.219 7.746 ( -7.323 -7.724 0.503) 10.655 7.768 ( 7.125 7.646 16.487) 19.520 7.879 ( -4.188 3.917 -5.748) 8.119 8.131 ( -16.242 -4.215 1.647) 16.861 8.349 ( -2.187 1.423 -1.263) 2.899 8.551 ( 7.815 -1.278 -2.517) 8.309 8.633 ( 11.059 1.264 -8.119) 13.777 8.718 ( 0.540 9.582 -9.451) 13.470 9.145 ( 4.626 -0.399 -0.316) 4.654 9.433 ( -8.837 16.215 -0.303) 18.469 9.758 ( -5.518 -5.219 5.731) 9.515 10.154 ( 12.914 -5.396 -4.626) 14.741 10.691 ( -10.101 -7.150 6.617) 14.033 11.048 ( 5.341 3.268 2.408) 6.709 11.589 ( -6.245 -6.782 -4.618) 10.311 11.812 ( 5.615 -1.133 3.308) 6.614 12.175 ( 4.386 0.178 -0.571) 4.426 12.323 ( -2.627 3.566 0.623) 4.473 13.139 ( -0.977 -2.435 0.564) 2.684 13.401 ( 8.513 0.151 1.661) 8.675 13.586 ( -1.550 6.164 -0.904) 6.420 16.071 ( -3.646 0.877 3.769) 5.317 16.563 ( -1.336 -0.442 -1.368) 1.963 16.838 ( -0.756 -2.091 -2.128) 3.078 17.035 ( -2.665 3.904 -2.311) 5.261 17.875 ( 2.590 -3.688 1.742) 4.832 18.033 ( -0.840 -2.118 2.643) 3.490 19.310 ( 0.907 1.047 -0.404) 1.443 19.490 ( 1.504 -1.200 -1.842) 2.663 23.413 ( -11.447 -1.226 -2.119) 11.706 23.699 ( 5.234 2.663 0.032) 5.873 25.310 ( 6.860 -1.810 0.310) 7.102 ======================= Grid point 235 (52/58) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -22.720 5.549 0.759) 23.400 2.654 ( -13.753 -5.544 14.535) 20.764 2.931 ( -19.593 11.116 -3.827) 22.850 3.080 ( -8.746 0.747 -11.370) 14.364 3.299 ( -7.352 12.466 4.286) 15.094 3.330 ( -9.410 5.912 -1.691) 11.241 3.407 ( -9.984 3.358 -4.367) 11.404 3.640 ( -1.896 -1.802 3.640) 4.483 3.915 ( 0.623 -2.669 0.164) 2.746 3.987 ( 1.363 -0.046 -1.243) 1.846 4.030 ( -1.648 -6.074 -2.304) 6.702 4.112 ( 4.881 2.231 0.144) 5.369 4.137 ( 3.627 3.259 -1.568) 5.122 4.272 ( -1.543 -3.486 2.315) 4.460 4.316 ( 1.129 -1.829 0.292) 2.169 4.557 ( -10.180 -6.858 5.803) 13.577 4.715 ( -11.779 3.124 3.749) 12.750 4.854 ( 11.318 3.040 -4.253) 12.467 4.993 ( -6.419 -13.557 2.543) 15.214 5.054 ( -14.813 -14.440 0.851) 20.704 5.201 ( -3.214 -8.786 -3.990) 10.171 5.391 ( -12.643 -4.441 -5.658) 14.546 5.733 ( -5.792 -9.559 8.153) 13.835 5.748 ( -20.047 -0.227 -0.994) 20.073 6.193 ( -10.713 -0.413 -0.467) 10.731 6.319 ( -7.194 1.448 3.259) 8.029 6.476 ( -6.861 3.468 -1.290) 7.795 6.554 ( -7.049 -0.353 -2.094) 7.362 7.021 ( 13.931 2.945 -8.176) 16.419 7.316 ( -13.543 -14.522 1.970) 19.955 7.463 ( 13.318 2.873 5.348) 14.637 7.483 ( -12.095 -5.394 -2.623) 13.501 7.677 ( -6.891 2.599 2.820) 7.887 7.994 ( 8.105 4.180 15.658) 18.121 8.087 ( 4.041 5.929 -3.011) 7.782 8.359 ( -0.100 3.218 2.225) 3.913 8.598 ( 3.563 -3.395 -8.102) 9.480 8.797 ( 5.273 3.266 -8.484) 10.509 8.887 ( 9.871 1.738 -6.231) 11.801 9.249 ( 5.721 0.826 2.556) 6.320 9.439 ( -9.401 14.947 -8.320) 19.520 9.669 ( 0.650 -1.231 7.134) 7.268 10.327 ( 5.326 -5.458 -0.932) 7.683 10.382 ( -8.364 -8.299 2.299) 12.005 11.191 ( 5.370 5.833 8.958) 11.963 11.328 ( -13.756 -5.066 -6.337) 15.970 11.893 ( 5.474 -5.970 2.408) 8.450 12.272 ( 1.549 3.529 0.691) 3.916 12.326 ( 2.605 1.786 -1.120) 3.351 13.128 ( 2.093 -0.722 0.085) 2.216 13.568 ( 5.357 1.471 -0.239) 5.560 13.684 ( 9.643 5.448 0.006) 11.076 16.013 ( -4.283 1.637 3.451) 5.739 16.553 ( 0.072 0.579 3.131) 3.185 16.674 ( -16.452 -2.552 3.223) 16.958 17.064 ( 3.628 0.026 -7.389) 8.231 17.856 ( -0.048 -4.529 -0.461) 4.553 17.978 ( -3.235 -1.520 2.641) 4.444 19.374 ( 4.250 2.562 -0.683) 5.009 19.496 ( 0.445 -1.570 -3.755) 4.095 23.090 ( -21.032 -5.303 -3.714) 22.006 23.861 ( 10.026 3.431 1.358) 10.683 25.480 ( 11.696 1.670 0.541) 11.827 ======================= Grid point 236 (53/58) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -27.513 3.534 4.101) 28.040 2.359 ( -13.550 -5.159 25.941) 29.718 2.616 ( -25.950 2.633 -4.503) 26.469 2.830 ( -15.220 -6.641 -17.037) 23.791 2.927 ( -29.386 -1.469 -4.789) 29.810 3.320 ( -8.678 14.312 2.560) 16.932 3.410 ( 1.093 0.292 1.727) 2.064 3.589 ( -4.463 -2.223 1.085) 5.103 3.704 ( -12.945 -13.982 0.076) 19.054 3.869 ( -18.914 -8.327 0.375) 20.669 3.955 ( -7.106 -1.242 -3.696) 8.105 4.082 ( -11.288 -2.272 7.137) 13.546 4.191 ( -3.284 1.736 -0.825) 3.806 4.233 ( 4.377 2.179 -0.905) 4.972 4.303 ( 3.370 -0.625 0.572) 3.475 4.364 ( -6.491 -6.589 -0.654) 9.272 4.531 ( -1.262 -1.614 -4.855) 5.270 4.596 ( -2.351 2.440 0.188) 3.394 5.015 ( 5.772 -3.150 -0.590) 6.602 5.109 ( -2.062 -1.738 -4.392) 5.154 5.150 ( -9.247 -1.469 1.258) 9.447 5.232 ( 1.500 -0.006 1.709) 2.274 5.296 ( -15.476 0.164 -3.396) 15.845 5.517 ( -11.552 -3.833 3.410) 12.640 5.983 ( -10.245 -3.647 3.688) 11.483 6.186 ( -13.914 -0.816 8.644) 16.401 6.364 ( -5.234 1.742 -10.505) 11.865 6.457 ( -7.429 8.907 0.040) 11.599 6.846 ( -15.564 -18.111 -1.361) 23.918 7.112 ( -16.123 -5.811 3.355) 17.464 7.221 ( 2.841 2.017 -13.965) 14.393 7.721 ( 9.097 2.696 5.493) 10.963 7.767 ( 5.152 3.221 5.884) 8.458 8.158 ( 6.197 0.056 4.481) 7.648 8.222 ( 5.590 4.496 2.582) 7.624 8.386 ( 3.287 3.480 9.819) 10.924 8.695 ( 7.597 1.869 -2.309) 8.157 8.910 ( 5.549 -0.490 -5.946) 8.148 9.026 ( 8.076 -3.740 -3.646) 9.618 9.270 ( -3.193 -0.786 1.861) 3.779 9.472 ( 2.996 5.547 -13.606) 14.996 9.745 ( 3.909 5.284 3.307) 7.358 9.976 ( -18.436 -6.546 -1.642) 19.633 10.515 ( 9.649 -1.457 0.496) 9.771 11.032 ( -12.850 -4.605 1.883) 13.779 11.375 ( 5.955 9.224 7.731) 13.428 11.868 ( -0.664 -6.269 -0.092) 6.305 12.313 ( 2.687 0.958 0.162) 2.857 12.419 ( 3.551 1.764 -0.106) 3.966 13.200 ( 6.047 0.760 -0.762) 6.142 13.626 ( 1.602 0.810 -0.661) 1.913 13.996 ( 20.581 2.540 1.112) 20.767 15.961 ( -4.344 2.358 -0.026) 4.943 16.226 ( -31.405 -4.092 2.031) 31.736 16.574 ( 0.908 1.808 6.107) 6.433 17.127 ( 4.127 -2.157 -5.602) 7.285 17.791 ( -2.076 -4.231 -0.081) 4.714 17.900 ( -4.883 0.197 0.641) 4.929 19.349 ( -10.710 -1.574 -7.963) 13.438 19.591 ( 11.472 1.646 -0.513) 11.601 22.613 ( -27.623 -5.172 -5.386) 28.614 24.121 ( 16.501 3.247 3.627) 17.204 25.705 ( 11.498 1.894 0.504) 11.664 ======================= Grid point 241 (54/58) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 4.828 14.349 21.141) 26.002 2.611 ( 12.727 21.474 -0.369) 24.965 3.032 ( 8.551 10.238 -14.083) 19.398 3.109 ( 10.282 24.768 -1.654) 26.868 3.360 ( 0.163 1.170 1.322) 1.773 3.441 ( 10.409 21.359 -0.197) 23.761 3.579 ( 2.375 0.999 0.742) 2.681 3.710 ( 17.176 3.187 3.086) 17.739 3.763 ( -5.406 12.846 -2.953) 14.247 3.957 ( -2.182 -1.966 -1.440) 3.271 3.994 ( 0.126 3.339 -0.069) 3.342 4.139 ( -2.418 -4.414 0.146) 5.035 4.186 ( -4.396 -4.283 0.262) 6.143 4.241 ( 1.444 -1.172 -1.275) 2.255 4.290 ( -0.793 -1.406 0.207) 1.627 4.472 ( 13.594 13.041 8.491) 20.663 4.603 ( -0.494 6.384 -0.180) 6.406 4.774 ( 4.954 9.411 -2.821) 11.003 4.903 ( 0.813 -1.438 -1.185) 2.033 5.073 ( -2.160 2.012 -0.736) 3.043 5.120 ( 5.564 -5.400 -3.031) 8.325 5.301 ( -1.375 6.187 -4.909) 8.017 5.606 ( 1.583 0.566 5.710) 5.952 5.768 ( 13.913 27.468 2.248) 30.872 6.216 ( 1.165 -1.121 -2.910) 3.329 6.270 ( 6.118 12.618 -2.369) 14.221 6.545 ( 5.360 10.031 -0.374) 11.380 6.700 ( 14.327 1.307 4.844) 15.180 6.853 ( -11.328 9.362 -0.766) 14.715 7.254 ( 4.106 -3.885 3.165) 6.479 7.334 ( 0.251 11.757 -6.940) 13.655 7.507 ( -3.400 -6.934 7.144) 10.520 7.721 ( 0.710 0.617 2.759) 2.915 8.046 ( -1.749 -6.211 5.911) 8.751 8.208 ( 2.533 -6.414 -6.234) 9.296 8.406 ( 2.227 1.554 2.713) 3.839 8.555 ( -4.651 -4.412 -4.763) 7.987 8.757 ( -7.205 -4.897 -5.413) 10.256 8.938 ( -2.273 -1.211 -1.783) 3.132 9.226 ( -4.591 -2.770 7.096) 8.894 9.610 ( 5.590 11.261 -7.830) 14.811 9.712 ( 0.984 -6.448 -1.393) 6.670 10.239 ( 9.425 11.617 -1.419) 15.027 10.291 ( -7.811 -11.424 0.314) 13.843 11.169 ( -1.805 7.757 11.663) 14.123 11.379 ( 4.223 -3.290 -6.321) 8.283 11.804 ( -1.881 -2.673 1.324) 3.526 12.312 ( 0.878 0.841 1.093) 1.635 12.344 ( -3.211 -4.487 -0.988) 5.605 13.121 ( -1.380 -2.877 -0.401) 3.216 13.581 ( -3.652 -5.628 0.739) 6.750 13.729 ( -5.378 -6.266 2.757) 8.705 16.060 ( 4.086 1.968 -3.128) 5.510 16.562 ( 1.141 1.585 5.130) 5.489 16.680 ( 10.523 12.409 -0.732) 16.286 17.038 ( -3.177 -0.114 -3.271) 4.562 17.775 ( -1.907 0.687 2.369) 3.117 17.972 ( 2.135 2.118 0.879) 3.133 19.421 ( -2.436 -6.476 0.137) 6.921 19.458 ( -0.268 2.147 -4.677) 5.153 23.034 ( 11.601 20.372 -3.726) 23.738 23.897 ( -5.541 -9.435 1.791) 11.087 25.497 ( -6.542 -11.613 0.279) 13.332 ======================= Grid point 242 (55/58) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 5.188 14.875 15.425) 22.048 2.958 ( 4.163 18.599 -1.406) 19.111 3.233 ( 2.599 4.022 -9.230) 10.399 3.322 ( 0.009 1.400 0.243) 1.421 3.436 ( -1.721 22.836 1.794) 22.970 3.596 ( 1.647 0.151 3.296) 3.688 3.699 ( -6.735 11.894 -0.507) 13.678 3.816 ( -3.679 10.224 -1.492) 10.968 3.894 ( -2.207 2.914 -1.608) 3.994 3.936 ( 0.752 4.630 0.053) 4.691 4.015 ( 0.688 6.191 0.786) 6.279 4.061 ( -5.723 -1.551 1.640) 6.152 4.094 ( 2.159 1.495 0.905) 2.777 4.211 ( -0.166 -6.298 1.932) 6.590 4.352 ( 7.064 3.349 -3.059) 8.394 4.556 ( -3.153 -6.525 5.605) 9.162 4.722 ( -4.967 -1.987 -3.644) 6.473 4.854 ( 15.040 -0.209 -1.671) 15.134 5.053 ( 2.892 5.505 -0.994) 6.297 5.229 ( 0.408 10.298 -1.402) 10.401 5.267 ( 23.774 4.056 -3.057) 24.310 5.436 ( 15.145 2.887 -0.243) 15.420 5.636 ( 7.440 -8.633 3.232) 11.846 5.986 ( -6.606 -7.917 -2.662) 10.650 6.233 ( 2.144 20.904 5.101) 21.625 6.479 ( -7.732 -6.883 1.555) 10.468 6.641 ( -5.835 -7.020 -3.254) 9.691 6.660 ( 3.686 4.507 -1.972) 6.147 6.933 ( -0.872 4.917 -5.455) 7.395 7.082 ( 4.257 -6.797 9.404) 12.359 7.389 ( 3.778 -2.059 -0.865) 4.389 7.657 ( 1.460 13.195 11.669) 17.675 7.819 ( 0.912 8.362 3.573) 9.139 8.009 ( 2.260 -0.330 1.210) 2.584 8.200 ( 3.966 0.093 -15.167) 15.677 8.463 ( 1.565 -0.121 2.187) 2.692 8.483 ( -2.296 1.891 -3.800) 4.825 8.603 ( -5.251 -4.789 -3.396) 7.876 8.878 ( -7.341 7.318 -2.690) 10.709 9.108 ( -3.575 -5.274 2.638) 6.896 9.668 ( 0.220 -3.926 -2.861) 4.863 9.771 ( 0.800 6.916 -1.245) 7.072 10.045 ( -7.711 -6.170 -0.043) 9.876 10.551 ( 16.132 4.344 -1.387) 16.764 11.085 ( -7.487 -5.034 9.341) 12.986 11.459 ( 3.012 3.193 -2.527) 5.065 11.790 ( 3.830 -2.993 -0.390) 4.877 12.192 ( -5.508 -6.877 -0.416) 8.821 12.374 ( 0.639 4.695 1.387) 4.937 13.104 ( 1.499 -0.749 -0.190) 1.686 13.393 ( -5.882 -9.400 3.117) 11.518 13.684 ( -2.198 4.135 1.211) 4.837 16.126 ( 1.228 1.734 -3.227) 3.864 16.584 ( 1.336 0.048 -0.670) 1.495 16.792 ( -1.173 -2.480 -5.491) 6.138 17.114 ( 2.871 11.112 2.335) 11.712 17.745 ( 1.174 -4.711 4.445) 6.583 18.014 ( 1.305 0.344 1.704) 2.174 19.338 ( -1.850 -1.118 -0.379) 2.194 19.457 ( -0.028 -2.133 -1.821) 2.804 23.389 ( 8.787 14.286 -1.869) 16.876 23.746 ( -4.273 -4.416 0.317) 6.153 25.278 ( -4.770 -10.698 -0.061) 11.714 ======================= Grid point 243 (56/58) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( -0.731 11.501 8.673) 14.423 3.095 ( -7.292 10.976 -1.678) 13.284 3.190 ( -4.226 0.407 3.806) 5.702 3.330 ( -4.354 2.164 -3.505) 5.994 3.536 ( -6.343 14.058 1.004) 15.456 3.628 ( 6.568 -6.418 1.792) 9.356 3.713 ( -10.556 18.921 -0.209) 21.668 3.803 ( -1.824 5.051 -0.780) 5.426 3.848 ( -10.009 11.468 -2.034) 15.357 3.939 ( -1.936 -0.283 0.495) 2.019 4.007 ( 3.251 0.522 -0.808) 3.391 4.090 ( -3.104 3.054 2.728) 5.139 4.161 ( -5.167 9.385 2.596) 11.023 4.183 ( 4.310 -3.493 -2.444) 6.062 4.408 ( -4.893 -4.640 5.690) 8.823 4.542 ( 8.386 2.433 -5.165) 10.145 4.623 ( -3.391 0.018 -2.340) 4.121 4.928 ( -0.193 -2.237 -1.932) 2.962 5.116 ( -5.383 9.713 -3.069) 11.521 5.358 ( 5.446 -1.656 9.752) 11.292 5.508 ( 0.169 -17.885 -6.061) 18.884 5.699 ( 4.700 -9.833 0.799) 10.928 5.821 ( -5.128 -11.009 -1.101) 12.194 5.881 ( 34.121 3.693 2.228) 34.393 5.990 ( -8.636 -18.650 -6.206) 21.469 6.411 ( 4.190 3.527 7.162) 9.017 6.538 ( -2.910 6.828 -3.621) 8.258 6.723 ( -12.123 7.638 0.852) 14.354 6.866 ( -6.389 2.912 2.239) 7.370 7.174 ( 4.996 -0.962 2.328) 5.595 7.522 ( 5.846 -2.352 -4.849) 7.951 7.644 ( 3.336 -4.827 0.520) 5.891 7.857 ( -5.080 4.506 16.967) 18.275 8.066 ( -6.003 11.156 -1.401) 12.746 8.360 ( 1.873 2.443 -7.722) 8.313 8.371 ( -6.445 -0.391 -3.177) 7.196 8.449 ( -2.463 0.775 -2.944) 3.916 8.545 ( 2.796 -0.378 -3.770) 4.709 8.875 ( -5.885 14.552 -3.342) 16.049 9.046 ( 3.312 -4.250 -1.463) 5.583 9.615 ( -2.817 -2.724 3.741) 5.418 9.802 ( 11.436 -15.098 -4.874) 19.557 9.970 ( -9.064 17.045 -1.039) 19.333 10.763 ( -2.784 -4.411 4.417) 6.835 10.936 ( 6.168 -3.332 2.286) 7.374 11.521 ( 3.938 -3.092 1.121) 5.130 11.815 ( -2.900 0.753 -1.040) 3.171 12.086 ( 2.886 -3.890 -0.458) 4.865 12.407 ( -2.055 3.712 1.687) 4.566 13.129 ( 0.071 -1.124 0.547) 1.252 13.275 ( 3.121 -4.403 2.477) 5.938 13.691 ( -2.779 5.407 0.711) 6.121 16.135 ( -1.911 1.632 -1.661) 3.013 16.590 ( -1.583 0.520 -2.851) 3.302 16.764 ( 3.443 -3.684 -5.818) 7.699 17.199 ( -6.249 9.641 3.100) 11.900 17.740 ( 5.724 -7.836 3.800) 10.421 18.024 ( 0.084 -0.542 2.360) 2.423 19.321 ( -0.805 1.157 -0.419) 1.471 19.442 ( 1.665 -2.577 -1.036) 3.238 23.573 ( -3.119 5.885 -1.038) 6.741 23.661 ( 0.029 -0.286 -0.416) 0.506 25.172 ( 3.498 -6.208 -0.179) 7.128 ======================= Grid point 245 (57/58) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( -14.949 -2.746 12.038) 19.389 2.954 ( -18.187 5.887 -1.280) 19.158 3.163 ( -5.844 5.873 -3.475) 8.985 3.320 ( 1.936 -0.021 -0.300) 1.959 3.489 ( -17.426 9.225 -3.414) 20.011 3.590 ( -5.750 2.425 3.058) 6.950 3.691 ( -7.683 11.739 0.465) 14.037 3.820 ( -5.591 5.287 -1.806) 7.904 3.879 ( -0.691 1.595 -0.331) 1.769 3.943 ( -1.361 3.861 -1.196) 4.265 3.998 ( -4.075 1.243 2.224) 4.806 4.081 ( 1.250 1.328 -0.147) 1.830 4.121 ( 0.219 2.233 -1.088) 2.493 4.244 ( 3.162 -2.919 -0.971) 4.412 4.272 ( -4.440 -2.297 4.983) 7.058 4.646 ( 0.792 2.934 4.272) 5.243 4.659 ( 5.535 -5.591 -4.676) 9.152 4.854 ( -4.031 -5.354 -2.657) 7.209 5.093 ( -6.386 7.732 -1.782) 10.185 5.162 ( -15.747 -10.313 2.549) 18.996 5.224 ( -12.634 -15.658 0.493) 20.126 5.475 ( -3.037 -7.253 -4.211) 8.919 5.620 ( -1.441 -9.857 4.146) 10.790 6.012 ( 6.985 -0.335 -3.980) 8.046 6.320 ( -13.961 -0.211 -2.094) 14.119 6.510 ( 2.731 2.162 0.256) 3.493 6.547 ( 3.804 6.999 3.107) 8.550 6.685 ( 2.989 0.497 -3.996) 5.015 6.746 ( 0.303 8.798 10.773) 13.912 7.250 ( 3.885 -9.475 -5.541) 11.643 7.366 ( -3.374 -6.270 0.854) 7.171 7.689 ( -11.798 1.488 9.891) 15.468 7.886 ( 7.686 0.296 7.541) 10.771 7.944 ( -15.771 2.840 -2.773) 16.263 8.131 ( -6.001 3.377 -8.928) 11.275 8.405 ( -0.688 3.788 2.101) 4.386 8.517 ( 2.326 -1.438 -2.243) 3.537 8.643 ( 8.168 -0.787 -5.951) 10.136 8.913 ( -2.192 6.607 -7.414) 10.170 9.126 ( 7.181 -0.827 1.160) 7.321 9.600 ( 3.877 -0.234 2.917) 4.857 9.799 ( -9.600 5.991 -3.226) 11.767 10.069 ( 10.931 0.440 -2.250) 11.169 10.505 ( -12.172 -8.735 3.452) 15.374 11.115 ( 9.142 1.853 6.044) 11.115 11.481 ( -6.351 -3.370 -4.443) 8.452 11.759 ( 1.374 -2.150 2.468) 3.550 12.196 ( 8.406 0.959 -0.773) 8.496 12.377 ( -4.111 1.510 1.096) 4.515 13.098 ( -0.109 -1.159 0.414) 1.235 13.400 ( 11.282 -0.272 2.354) 11.528 13.693 ( -1.806 3.199 0.473) 3.704 16.103 ( -3.568 1.859 -1.412) 4.264 16.564 ( -1.121 0.581 0.807) 1.498 16.806 ( 1.627 -1.272 -5.552) 5.924 17.109 ( -9.621 3.053 2.215) 10.334 17.770 ( 4.460 -5.241 2.147) 7.209 18.008 ( -1.406 -0.383 2.271) 2.698 19.335 ( 1.752 1.199 -0.085) 2.125 19.462 ( 2.111 -1.321 -2.207) 3.327 23.392 ( -16.701 -0.719 -2.109) 16.849 23.746 ( 6.034 1.487 0.287) 6.222 25.276 ( 11.571 -1.068 0.098) 11.621 ======================= Grid point 253 (58/58) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 4.538 13.332 9.645) 17.070 3.186 ( 5.195 3.290 1.012) 6.232 3.247 ( -2.676 -0.133 -1.776) 3.214 3.371 ( 6.837 1.598 -0.390) 7.032 3.495 ( -7.061 -6.661 1.817) 9.876 3.755 ( 3.335 5.029 0.981) 6.114 3.796 ( -0.608 0.120 -1.410) 1.540 3.808 ( -2.159 5.246 1.777) 5.945 3.886 ( 6.520 0.061 -1.544) 6.700 4.003 ( -4.600 -1.010 0.816) 4.780 4.051 ( -1.300 -7.661 1.927) 8.006 4.165 ( 1.206 4.152 0.191) 4.327 4.203 ( 0.830 0.892 -2.215) 2.528 4.342 ( 10.952 16.812 2.402) 20.208 4.446 ( -0.223 -0.307 2.370) 2.400 4.548 ( 4.159 8.931 -4.117) 10.678 4.651 ( -2.682 -4.762 -0.656) 5.505 4.914 ( 2.520 7.980 -1.761) 8.551 5.172 ( 1.794 1.919 -0.789) 2.743 5.276 ( 5.378 4.566 3.339) 7.805 5.344 ( -5.171 -0.624 -7.644) 9.250 5.471 ( 8.405 -2.362 1.250) 8.820 5.684 ( 1.619 14.709 1.536) 14.877 5.791 ( -6.606 -7.965 -6.118) 12.021 5.992 ( -12.202 -27.100 0.003) 29.721 6.287 ( -8.291 -12.346 5.240) 15.768 6.761 ( 3.887 18.618 5.012) 19.669 6.849 ( 8.416 4.484 2.486) 9.855 6.972 ( 9.527 -3.475 2.672) 10.487 7.099 ( -8.280 3.547 -5.359) 10.481 7.367 ( 1.775 3.944 -2.257) 4.879 7.611 ( -8.032 -14.569 -3.283) 16.957 7.929 ( 3.819 6.025 22.032) 23.158 8.234 ( 7.753 11.825 -3.865) 14.659 8.290 ( 1.452 7.859 -4.957) 9.404 8.454 ( 3.770 0.225 -2.230) 4.386 8.466 ( -2.018 -6.057 -4.523) 7.824 8.528 ( -3.921 -2.183 -3.572) 5.736 8.983 ( -1.370 -2.625 -4.468) 5.360 9.109 ( 5.095 11.665 -1.903) 12.871 9.504 ( -2.878 -11.751 -2.684) 12.392 9.629 ( -7.585 -8.120 -0.434) 11.120 10.233 ( 5.574 10.626 -0.328) 12.003 10.651 ( 6.529 7.437 2.140) 10.125 10.904 ( -8.311 -11.781 3.973) 14.955 11.475 ( -1.050 -0.952 1.137) 1.817 11.842 ( 4.675 6.764 -0.438) 8.234 12.038 ( -4.900 -7.914 -0.513) 9.322 12.446 ( 1.174 2.061 2.014) 3.112 13.118 ( 1.549 2.266 0.869) 2.880 13.227 ( -4.028 -6.586 2.166) 8.018 13.749 ( 0.998 1.891 1.379) 2.544 16.158 ( 0.926 1.150 -4.050) 4.311 16.608 ( 2.061 2.465 -2.680) 4.183 16.710 ( -3.284 -4.520 -5.849) 8.089 17.343 ( 6.661 10.609 4.027) 13.158 17.610 ( -5.330 -8.117 3.891) 10.461 18.021 ( 0.193 0.245 2.480) 2.499 19.343 ( 0.878 1.358 -0.317) 1.648 19.404 ( -1.668 -2.714 -0.891) 3.308 23.612 ( 4.060 7.173 -0.822) 8.283 23.683 ( -1.193 -2.135 -0.367) 2.473 25.104 ( -3.111 -5.434 -0.416) 6.276 =================== 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 3/31500 10.0 644.925 644.925 478.912 0.000 0.000 -0.000 3/31500 20.0 237.962 237.962 213.116 0.000 0.000 -0.000 3/31500 30.0 95.513 95.513 92.809 0.000 0.000 -0.000 3/31500 40.0 53.091 53.091 50.901 0.000 0.000 -0.000 3/31500 50.0 35.479 35.479 32.947 0.000 0.000 -0.000 3/31500 60.0 26.308 26.308 23.682 0.000 0.000 -0.000 3/31500 70.0 20.816 20.816 18.252 0.000 0.000 -0.000 3/31500 80.0 17.202 17.202 14.770 0.000 0.000 -0.000 3/31500 90.0 14.659 14.659 12.380 0.000 0.000 -0.000 3/31500 100.0 12.777 12.777 10.652 0.000 0.000 -0.000 3/31500 110.0 11.328 11.328 9.350 0.000 0.000 -0.000 3/31500 120.0 10.180 10.180 8.336 0.000 0.000 -0.000 3/31500 130.0 9.247 9.247 7.524 0.000 0.000 -0.000 3/31500 140.0 8.474 8.474 6.860 0.000 0.000 -0.000 3/31500 150.0 7.823 7.823 6.307 0.000 0.000 -0.000 3/31500 160.0 7.266 7.266 5.838 0.000 0.000 -0.000 3/31500 170.0 6.786 6.786 5.436 0.000 0.000 -0.000 3/31500 180.0 6.366 6.366 5.087 0.000 0.000 -0.000 3/31500 190.0 5.997 5.997 4.782 0.000 0.000 -0.000 3/31500 200.0 5.669 5.669 4.512 0.000 0.000 -0.000 3/31500 210.0 5.375 5.375 4.272 0.000 0.000 -0.000 3/31500 220.0 5.112 5.112 4.057 0.000 0.000 -0.000 3/31500 230.0 4.873 4.873 3.862 0.000 0.000 -0.000 3/31500 240.0 4.657 4.657 3.687 0.000 0.000 -0.000 3/31500 250.0 4.459 4.459 3.526 0.000 0.000 -0.000 3/31500 260.0 4.278 4.278 3.380 0.000 0.000 -0.000 3/31500 270.0 4.111 4.111 3.245 0.000 0.000 -0.000 3/31500 280.0 3.957 3.957 3.121 0.000 0.000 -0.000 3/31500 290.0 3.814 3.814 3.007 0.000 0.000 -0.000 3/31500 300.0 3.682 3.682 2.900 0.000 0.000 -0.000 3/31500 310.0 3.559 3.559 2.802 0.000 0.000 -0.000 3/31500 320.0 3.443 3.443 2.709 0.000 0.000 -0.000 3/31500 330.0 3.335 3.335 2.623 0.000 0.000 -0.000 3/31500 340.0 3.234 3.234 2.542 0.000 0.000 -0.000 3/31500 350.0 3.139 3.139 2.466 0.000 0.000 -0.000 3/31500 360.0 3.049 3.049 2.395 0.000 0.000 -0.000 3/31500 370.0 2.965 2.965 2.328 0.000 0.000 -0.000 3/31500 380.0 2.885 2.885 2.264 0.000 0.000 -0.000 3/31500 390.0 2.809 2.809 2.204 0.000 0.000 -0.000 3/31500 400.0 2.737 2.737 2.147 0.000 0.000 -0.000 3/31500 410.0 2.669 2.669 2.093 0.000 0.000 -0.000 3/31500 420.0 2.605 2.605 2.041 0.000 0.000 -0.000 3/31500 430.0 2.543 2.543 1.993 0.000 0.000 -0.000 3/31500 440.0 2.484 2.484 1.946 0.000 0.000 -0.000 3/31500 450.0 2.428 2.428 1.902 0.000 0.000 -0.000 3/31500 460.0 2.374 2.374 1.859 0.000 0.000 -0.000 3/31500 470.0 2.323 2.323 1.819 0.000 0.000 -0.000 3/31500 480.0 2.274 2.274 1.780 0.000 0.000 -0.000 3/31500 490.0 2.227 2.227 1.743 0.000 0.000 -0.000 3/31500 500.0 2.182 2.182 1.707 0.000 0.000 -0.000 3/31500 510.0 2.139 2.139 1.673 0.000 0.000 -0.000 3/31500 520.0 2.097 2.097 1.640 0.000 0.000 -0.000 3/31500 530.0 2.057 2.057 1.609 0.000 0.000 -0.000 3/31500 540.0 2.019 2.019 1.578 0.000 0.000 -0.000 3/31500 550.0 1.982 1.982 1.549 0.000 0.000 -0.000 3/31500 560.0 1.946 1.946 1.521 0.000 0.000 -0.000 3/31500 570.0 1.911 1.911 1.494 0.000 0.000 -0.000 3/31500 580.0 1.878 1.878 1.468 0.000 0.000 -0.000 3/31500 590.0 1.846 1.846 1.442 0.000 0.000 -0.000 3/31500 600.0 1.815 1.815 1.418 0.000 0.000 -0.000 3/31500 610.0 1.785 1.785 1.394 0.000 0.000 -0.000 3/31500 620.0 1.756 1.756 1.372 0.000 0.000 -0.000 3/31500 630.0 1.728 1.728 1.350 0.000 0.000 -0.000 3/31500 640.0 1.701 1.701 1.328 0.000 0.000 -0.000 3/31500 650.0 1.675 1.675 1.308 0.000 0.000 -0.000 3/31500 660.0 1.649 1.649 1.288 0.000 0.000 -0.000 3/31500 670.0 1.624 1.624 1.268 0.000 0.000 -0.000 3/31500 680.0 1.600 1.600 1.249 0.000 0.000 -0.000 3/31500 690.0 1.577 1.577 1.231 0.000 0.000 -0.000 3/31500 700.0 1.554 1.554 1.213 0.000 0.000 -0.000 3/31500 710.0 1.532 1.532 1.196 0.000 0.000 -0.000 3/31500 720.0 1.511 1.511 1.179 0.000 0.000 -0.000 3/31500 730.0 1.490 1.490 1.163 0.000 0.000 -0.000 3/31500 740.0 1.470 1.470 1.147 0.000 0.000 -0.000 3/31500 750.0 1.450 1.450 1.132 0.000 0.000 -0.000 3/31500 760.0 1.431 1.431 1.117 0.000 0.000 -0.000 3/31500 770.0 1.412 1.412 1.102 0.000 0.000 -0.000 3/31500 780.0 1.394 1.394 1.088 0.000 0.000 -0.000 3/31500 790.0 1.377 1.377 1.074 0.000 0.000 -0.000 3/31500 800.0 1.359 1.359 1.060 0.000 0.000 -0.000 3/31500 810.0 1.342 1.342 1.047 0.000 0.000 -0.000 3/31500 820.0 1.326 1.326 1.034 0.000 0.000 -0.000 3/31500 830.0 1.310 1.310 1.022 0.000 0.000 -0.000 3/31500 840.0 1.294 1.294 1.009 0.000 0.000 -0.000 3/31500 850.0 1.279 1.279 0.997 0.000 0.000 -0.000 3/31500 860.0 1.264 1.264 0.986 0.000 0.000 -0.000 3/31500 870.0 1.250 1.250 0.974 0.000 0.000 -0.000 3/31500 880.0 1.235 1.235 0.963 0.000 0.000 -0.000 3/31500 890.0 1.221 1.221 0.952 0.000 0.000 -0.000 3/31500 900.0 1.208 1.208 0.942 0.000 0.000 -0.000 3/31500 910.0 1.195 1.195 0.931 0.000 0.000 -0.000 3/31500 920.0 1.182 1.182 0.921 0.000 0.000 -0.000 3/31500 930.0 1.169 1.169 0.911 0.000 0.000 -0.000 3/31500 940.0 1.156 1.156 0.901 0.000 0.000 -0.000 3/31500 950.0 1.144 1.144 0.892 0.000 0.000 -0.000 3/31500 960.0 1.132 1.132 0.883 0.000 0.000 -0.000 3/31500 970.0 1.121 1.121 0.873 0.000 0.000 -0.000 3/31500 980.0 1.109 1.109 0.864 0.000 0.000 -0.000 3/31500 990.0 1.098 1.098 0.856 0.000 0.000 -0.000 3/31500 1000.0 1.087 1.087 0.847 0.000 0.000 -0.000 3/31500 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:20:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|