----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:54:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pa-3 (205) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.824288110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.824288110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.824288110000000 Atomic positions (fractional): *1 N 0.84180217468472 0.84180217468472 0.84180217468472 14.007 2 N 0.84180217468472 0.65819782531528 0.34180217468472 14.007 3 N 0.65819782531528 0.34180217468472 0.84180217468472 14.007 4 N 0.34180217468472 0.84180217468472 0.65819782531528 14.007 5 N 0.15819782531528 0.15819782531528 0.15819782531528 14.007 6 N 0.65819782531528 0.15819782531528 0.34180217468472 14.007 7 N 0.34180217468472 0.65819782531528 0.15819782531528 14.007 8 N 0.15819782531528 0.34180217468472 0.65819782531528 14.007 *9 O 0.27074694562906 0.78115809639648 0.52667742715070 15.999 10 O 0.71884190360352 0.47332257284930 0.77074694562906 15.999 11 O 0.72925305437094 0.28115809639648 0.97332257284930 15.999 12 O 0.77074694562906 0.71884190360352 0.47332257284930 15.999 13 O 0.77074694562906 0.78115809639648 0.97332257284930 15.999 14 O 0.97332257284930 0.77074694562906 0.78115809639648 15.999 15 O 0.78115809639648 0.97332257284930 0.77074694562906 15.999 16 O 0.71884190360352 0.02667742715070 0.27074694562906 15.999 17 O 0.47332257284930 0.72925305437094 0.21884190360352 15.999 18 O 0.21884190360352 0.47332257284930 0.72925305437094 15.999 19 O 0.52667742715070 0.22925305437094 0.28115809639648 15.999 20 O 0.02667742715070 0.27074694562906 0.71884190360352 15.999 21 O 0.28115809639648 0.52667742715070 0.22925305437094 15.999 22 O 0.27074694562906 0.71884190360352 0.02667742715070 15.999 23 O 0.22925305437094 0.28115809639648 0.52667742715070 15.999 24 O 0.72925305437094 0.21884190360352 0.47332257284930 15.999 25 O 0.22925305437094 0.21884190360352 0.02667742715070 15.999 26 O 0.02667742715070 0.22925305437094 0.21884190360352 15.999 27 O 0.21884190360352 0.02667742715070 0.22925305437094 15.999 28 O 0.28115809639648 0.97332257284930 0.72925305437094 15.999 29 O 0.52667742715070 0.27074694562906 0.78115809639648 15.999 30 O 0.78115809639648 0.52667742715070 0.27074694562906 15.999 31 O 0.47332257284930 0.77074694562906 0.71884190360352 15.999 32 O 0.97332257284930 0.72925305437094 0.28115809639648 15.999 *33 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 34 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 35 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 36 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.824288110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.824288110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.824288110000000 Atomic positions (fractional): *1 N 0.84180217468472 0.84180217468472 0.84180217468472 14.007 > 1 2 N 0.84180217468472 0.65819782531528 0.34180217468472 14.007 > 2 3 N 0.65819782531528 0.34180217468472 0.84180217468472 14.007 > 3 4 N 0.34180217468472 0.84180217468472 0.65819782531528 14.007 > 4 5 N 0.15819782531528 0.15819782531528 0.15819782531528 14.007 > 5 6 N 0.65819782531528 0.15819782531528 0.34180217468472 14.007 > 6 7 N 0.34180217468472 0.65819782531528 0.15819782531528 14.007 > 7 8 N 0.15819782531528 0.34180217468472 0.65819782531528 14.007 > 8 *9 O 0.27074694562906 0.78115809639648 0.52667742715070 15.999 > 9 10 O 0.71884190360352 0.47332257284930 0.77074694562906 15.999 > 10 11 O 0.72925305437094 0.28115809639648 0.97332257284930 15.999 > 11 12 O 0.77074694562906 0.71884190360352 0.47332257284930 15.999 > 12 13 O 0.77074694562906 0.78115809639648 0.97332257284930 15.999 > 13 14 O 0.97332257284930 0.77074694562906 0.78115809639648 15.999 > 14 15 O 0.78115809639648 0.97332257284930 0.77074694562906 15.999 > 15 16 O 0.71884190360352 0.02667742715070 0.27074694562906 15.999 > 16 17 O 0.47332257284930 0.72925305437094 0.21884190360352 15.999 > 17 18 O 0.21884190360352 0.47332257284930 0.72925305437094 15.999 > 18 19 O 0.52667742715070 0.22925305437094 0.28115809639648 15.999 > 19 20 O 0.02667742715070 0.27074694562906 0.71884190360352 15.999 > 20 21 O 0.28115809639648 0.52667742715070 0.22925305437094 15.999 > 21 22 O 0.27074694562906 0.71884190360352 0.02667742715070 15.999 > 22 23 O 0.22925305437094 0.28115809639648 0.52667742715070 15.999 > 23 24 O 0.72925305437094 0.21884190360352 0.47332257284930 15.999 > 24 25 O 0.22925305437094 0.21884190360352 0.02667742715070 15.999 > 25 26 O 0.02667742715070 0.22925305437094 0.21884190360352 15.999 > 26 27 O 0.21884190360352 0.02667742715070 0.22925305437094 15.999 > 27 28 O 0.28115809639648 0.97332257284930 0.72925305437094 15.999 > 28 29 O 0.52667742715070 0.27074694562906 0.78115809639648 15.999 > 29 30 O 0.78115809639648 0.52667742715070 0.27074694562906 15.999 > 30 31 O 0.47332257284930 0.77074694562906 0.71884190360352 15.999 > 31 32 O 0.97332257284930 0.72925305437094 0.28115809639648 15.999 > 32 *33 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 33 34 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 34 35 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 35 36 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.824288110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.824288110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.824288110000000 Atomic positions (fractional): *1 N 0.84180217468472 0.84180217468472 0.84180217468472 14.007 > 1 2 N 0.84180217468472 0.65819782531528 0.34180217468472 14.007 > 2 3 N 0.65819782531528 0.34180217468472 0.84180217468472 14.007 > 3 4 N 0.34180217468472 0.84180217468472 0.65819782531528 14.007 > 4 5 N 0.15819782531528 0.15819782531528 0.15819782531528 14.007 > 5 6 N 0.65819782531528 0.15819782531528 0.34180217468472 14.007 > 6 7 N 0.34180217468472 0.65819782531528 0.15819782531528 14.007 > 7 8 N 0.15819782531528 0.34180217468472 0.65819782531528 14.007 > 8 *9 O 0.27074694562906 0.78115809639648 0.52667742715070 15.999 > 9 10 O 0.71884190360352 0.47332257284930 0.77074694562906 15.999 > 10 11 O 0.72925305437094 0.28115809639648 0.97332257284930 15.999 > 11 12 O 0.77074694562906 0.71884190360352 0.47332257284930 15.999 > 12 13 O 0.77074694562906 0.78115809639648 0.97332257284930 15.999 > 13 14 O 0.97332257284930 0.77074694562906 0.78115809639648 15.999 > 14 15 O 0.78115809639648 0.97332257284930 0.77074694562906 15.999 > 15 16 O 0.71884190360352 0.02667742715070 0.27074694562906 15.999 > 16 17 O 0.47332257284930 0.72925305437094 0.21884190360352 15.999 > 17 18 O 0.21884190360352 0.47332257284930 0.72925305437094 15.999 > 18 19 O 0.52667742715070 0.22925305437094 0.28115809639648 15.999 > 19 20 O 0.02667742715070 0.27074694562906 0.71884190360352 15.999 > 20 21 O 0.28115809639648 0.52667742715070 0.22925305437094 15.999 > 21 22 O 0.27074694562906 0.71884190360352 0.02667742715070 15.999 > 22 23 O 0.22925305437094 0.28115809639648 0.52667742715070 15.999 > 23 24 O 0.72925305437094 0.21884190360352 0.47332257284930 15.999 > 24 25 O 0.22925305437094 0.21884190360352 0.02667742715070 15.999 > 25 26 O 0.02667742715070 0.22925305437094 0.21884190360352 15.999 > 26 27 O 0.21884190360352 0.02667742715070 0.22925305437094 15.999 > 27 28 O 0.28115809639648 0.97332257284930 0.72925305437094 15.999 > 28 29 O 0.52667742715070 0.27074694562906 0.78115809639648 15.999 > 29 30 O 0.78115809639648 0.52667742715070 0.27074694562906 15.999 > 30 31 O 0.47332257284930 0.77074694562906 0.71884190360352 15.999 > 31 32 O 0.97332257284930 0.72925305437094 0.28115809639648 15.999 > 32 *33 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 33 34 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 34 35 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 35 36 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3097473 0.0000000 0.0000000 0.0000000 3.3097473 0.0000000 0.0000000 0.0000000 3.3097473 -------------------------- Born effective charges -------------------------- 1 N 1.9061564 -0.7020384 -1.0239719 -1.0239719 1.9061564 -0.7020384 -0.7020384 -1.0239719 1.9061564 2 N 1.9061564 0.7020384 -1.0239719 1.0239719 1.9061564 0.7020384 -0.7020384 1.0239719 1.9061564 3 N 1.9061564 0.7020384 1.0239719 1.0239719 1.9061564 -0.7020384 0.7020384 -1.0239719 1.9061564 4 N 1.9061564 -0.7020384 1.0239719 -1.0239719 1.9061564 0.7020384 0.7020384 1.0239719 1.9061564 5 N 1.9061564 -0.7020384 -1.0239719 -1.0239719 1.9061564 -0.7020384 -0.7020384 -1.0239719 1.9061564 6 N 1.9061564 -0.7020384 1.0239719 -1.0239719 1.9061564 0.7020384 0.7020384 1.0239719 1.9061564 7 N 1.9061564 0.7020384 1.0239719 1.0239719 1.9061564 -0.7020384 0.7020384 -1.0239719 1.9061564 8 N 1.9061564 0.7020384 -1.0239719 1.0239719 1.9061564 0.7020384 -0.7020384 1.0239719 1.9061564 9 O -1.2225785 0.2858310 -0.7101803 0.3860013 -1.0876004 -0.4109163 -0.6036491 -0.4969400 -1.3582467 10 O -1.0876004 -0.4109163 -0.3860013 -0.4969400 -1.3582467 0.6036491 -0.2858310 0.7101803 -1.2225785 11 O -1.2225785 -0.2858310 -0.7101803 -0.3860013 -1.0876004 0.4109163 -0.6036491 0.4969400 -1.3582467 12 O -1.2225785 -0.2858310 0.7101803 -0.3860013 -1.0876004 -0.4109163 0.6036491 -0.4969400 -1.3582467 13 O -1.2225785 0.2858310 0.7101803 0.3860013 -1.0876004 0.4109163 0.6036491 0.4969400 -1.3582467 14 O -1.3582467 0.6036491 0.4969400 0.7101803 -1.2225785 0.2858310 0.4109163 0.3860013 -1.0876004 15 O -1.0876004 0.4109163 0.3860013 0.4969400 -1.3582467 0.6036491 0.2858310 0.7101803 -1.2225785 16 O -1.0876004 0.4109163 -0.3860013 0.4969400 -1.3582467 -0.6036491 -0.2858310 -0.7101803 -1.2225785 17 O -1.3582467 -0.6036491 -0.4969400 -0.7101803 -1.2225785 0.2858310 -0.4109163 0.3860013 -1.0876004 18 O -1.0876004 -0.4109163 0.3860013 -0.4969400 -1.3582467 -0.6036491 0.2858310 -0.7101803 -1.2225785 19 O -1.3582467 0.6036491 -0.4969400 0.7101803 -1.2225785 -0.2858310 -0.4109163 -0.3860013 -1.0876004 20 O -1.3582467 -0.6036491 0.4969400 -0.7101803 -1.2225785 -0.2858310 0.4109163 -0.3860013 -1.0876004 21 O -1.0876004 -0.4109163 -0.3860013 -0.4969400 -1.3582467 0.6036491 -0.2858310 0.7101803 -1.2225785 22 O -1.2225785 -0.2858310 -0.7101803 -0.3860013 -1.0876004 0.4109163 -0.6036491 0.4969400 -1.3582467 23 O -1.2225785 -0.2858310 0.7101803 -0.3860013 -1.0876004 -0.4109163 0.6036491 -0.4969400 -1.3582467 24 O -1.2225785 0.2858310 -0.7101803 0.3860013 -1.0876004 -0.4109163 -0.6036491 -0.4969400 -1.3582467 25 O -1.2225785 0.2858310 0.7101803 0.3860013 -1.0876004 0.4109163 0.6036491 0.4969400 -1.3582467 26 O -1.3582467 0.6036491 0.4969400 0.7101803 -1.2225785 0.2858310 0.4109163 0.3860013 -1.0876004 27 O -1.0876004 0.4109163 0.3860013 0.4969400 -1.3582467 0.6036491 0.2858310 0.7101803 -1.2225785 28 O -1.0876004 0.4109163 -0.3860013 0.4969400 -1.3582467 -0.6036491 -0.2858310 -0.7101803 -1.2225785 29 O -1.3582467 -0.6036491 -0.4969400 -0.7101803 -1.2225785 0.2858310 -0.4109163 0.3860013 -1.0876004 30 O -1.0876004 -0.4109163 0.3860013 -0.4969400 -1.3582467 -0.6036491 0.2858310 -0.7101803 -1.2225785 31 O -1.3582467 0.6036491 -0.4969400 0.7101803 -1.2225785 -0.2858310 -0.4109163 -0.3860013 -1.0876004 32 O -1.3582467 -0.6036491 0.4969400 -0.7101803 -1.2225785 -0.2858310 0.4109163 -0.3860013 -1.0876004 33 Pb 3.5245385 0.3254961 -0.1665046 0.1665046 3.5245385 0.3254961 -0.3254961 0.1665046 3.5245385 34 Pb 3.5245385 0.3254961 0.1665046 0.1665046 3.5245385 -0.3254961 0.3254961 -0.1665046 3.5245385 35 Pb 3.5245385 -0.3254961 0.1665046 -0.1665046 3.5245385 0.3254961 0.3254961 0.1665046 3.5245385 36 Pb 3.5245385 -0.3254961 -0.1665046 -0.1665046 3.5245385 -0.3254961 -0.3254961 -0.1665046 3.5245385 ---------------------------------------------------------------------------- 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: 108/108 Permutation basis: 5778/5778 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 264 Number of blocks in projector: 264 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 100 Use standard eigh solver. Tree of FC basis block matrices: - (264, 249), data: False |-- (100, 95), data: True |-- (164, 154), data: True ----- Solver_atoms: 1 -- 36 / 36 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.086 Solver_block: 200 / 240 - Time: 0.062 Solver_block: 240 / 240 - Time: 0.031 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.184 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 108/108 Permutation basis: 5778/5778 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 264 Number of blocks in projector: 264 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 100 Use standard eigh solver. Tree of FC basis block matrices: - (264, 249), data: False |-- (100, 95), data: True |-- (164, 154), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:54:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:54:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pa-3 (205) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.824288110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.824288110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.824288110000000 Atomic positions (fractional): 1 N 0.84180217468472 0.84180217468472 0.84180217468472 14.007 2 N 0.84180217468472 0.65819782531528 0.34180217468472 14.007 3 N 0.65819782531528 0.34180217468472 0.84180217468472 14.007 4 N 0.34180217468472 0.84180217468472 0.65819782531528 14.007 5 N 0.15819782531528 0.15819782531528 0.15819782531528 14.007 6 N 0.65819782531528 0.15819782531528 0.34180217468472 14.007 7 N 0.34180217468472 0.65819782531528 0.15819782531528 14.007 8 N 0.15819782531528 0.34180217468472 0.65819782531528 14.007 9 O 0.27074694562906 0.78115809639648 0.52667742715070 15.999 10 O 0.71884190360352 0.47332257284930 0.77074694562906 15.999 11 O 0.72925305437094 0.28115809639648 0.97332257284930 15.999 12 O 0.77074694562906 0.71884190360352 0.47332257284930 15.999 13 O 0.77074694562906 0.78115809639648 0.97332257284930 15.999 14 O 0.97332257284930 0.77074694562906 0.78115809639648 15.999 15 O 0.78115809639648 0.97332257284930 0.77074694562906 15.999 16 O 0.71884190360352 0.02667742715070 0.27074694562906 15.999 17 O 0.47332257284930 0.72925305437094 0.21884190360352 15.999 18 O 0.21884190360352 0.47332257284930 0.72925305437094 15.999 19 O 0.52667742715070 0.22925305437094 0.28115809639648 15.999 20 O 0.02667742715070 0.27074694562906 0.71884190360352 15.999 21 O 0.28115809639648 0.52667742715070 0.22925305437094 15.999 22 O 0.27074694562906 0.71884190360352 0.02667742715070 15.999 23 O 0.22925305437094 0.28115809639648 0.52667742715070 15.999 24 O 0.72925305437094 0.21884190360352 0.47332257284930 15.999 25 O 0.22925305437094 0.21884190360352 0.02667742715070 15.999 26 O 0.02667742715070 0.22925305437094 0.21884190360352 15.999 27 O 0.21884190360352 0.02667742715070 0.22925305437094 15.999 28 O 0.28115809639648 0.97332257284930 0.72925305437094 15.999 29 O 0.52667742715070 0.27074694562906 0.78115809639648 15.999 30 O 0.78115809639648 0.52667742715070 0.27074694562906 15.999 31 O 0.47332257284930 0.77074694562906 0.71884190360352 15.999 32 O 0.97332257284930 0.72925305437094 0.28115809639648 15.999 33 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 34 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 35 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 36 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.824288110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.824288110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.824288110000000 Atomic positions (fractional): 1 N 0.84180217468472 0.84180217468472 0.84180217468472 14.007 > 1 2 N 0.84180217468472 0.65819782531528 0.34180217468472 14.007 > 2 3 N 0.65819782531528 0.34180217468472 0.84180217468472 14.007 > 3 4 N 0.34180217468472 0.84180217468472 0.65819782531528 14.007 > 4 5 N 0.15819782531528 0.15819782531528 0.15819782531528 14.007 > 5 6 N 0.65819782531528 0.15819782531528 0.34180217468472 14.007 > 6 7 N 0.34180217468472 0.65819782531528 0.15819782531528 14.007 > 7 8 N 0.15819782531528 0.34180217468472 0.65819782531528 14.007 > 8 9 O 0.27074694562906 0.78115809639648 0.52667742715070 15.999 > 9 10 O 0.71884190360352 0.47332257284930 0.77074694562906 15.999 > 10 11 O 0.72925305437094 0.28115809639648 0.97332257284930 15.999 > 11 12 O 0.77074694562906 0.71884190360352 0.47332257284930 15.999 > 12 13 O 0.77074694562906 0.78115809639648 0.97332257284930 15.999 > 13 14 O 0.97332257284930 0.77074694562906 0.78115809639648 15.999 > 14 15 O 0.78115809639648 0.97332257284930 0.77074694562906 15.999 > 15 16 O 0.71884190360352 0.02667742715070 0.27074694562906 15.999 > 16 17 O 0.47332257284930 0.72925305437094 0.21884190360352 15.999 > 17 18 O 0.21884190360352 0.47332257284930 0.72925305437094 15.999 > 18 19 O 0.52667742715070 0.22925305437094 0.28115809639648 15.999 > 19 20 O 0.02667742715070 0.27074694562906 0.71884190360352 15.999 > 20 21 O 0.28115809639648 0.52667742715070 0.22925305437094 15.999 > 21 22 O 0.27074694562906 0.71884190360352 0.02667742715070 15.999 > 22 23 O 0.22925305437094 0.28115809639648 0.52667742715070 15.999 > 23 24 O 0.72925305437094 0.21884190360352 0.47332257284930 15.999 > 24 25 O 0.22925305437094 0.21884190360352 0.02667742715070 15.999 > 25 26 O 0.02667742715070 0.22925305437094 0.21884190360352 15.999 > 26 27 O 0.21884190360352 0.02667742715070 0.22925305437094 15.999 > 27 28 O 0.28115809639648 0.97332257284930 0.72925305437094 15.999 > 28 29 O 0.52667742715070 0.27074694562906 0.78115809639648 15.999 > 29 30 O 0.78115809639648 0.52667742715070 0.27074694562906 15.999 > 30 31 O 0.47332257284930 0.77074694562906 0.71884190360352 15.999 > 31 32 O 0.97332257284930 0.72925305437094 0.28115809639648 15.999 > 32 33 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 33 34 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 34 35 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 35 36 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3097473 0.0000000 0.0000000 0.0000000 3.3097473 0.0000000 0.0000000 0.0000000 3.3097473 -------------------------- Born effective charges -------------------------- 1 N 1.9061564 -0.7020384 -1.0239719 -1.0239719 1.9061564 -0.7020384 -0.7020384 -1.0239719 1.9061564 2 N 1.9061564 0.7020384 -1.0239719 1.0239719 1.9061564 0.7020384 -0.7020384 1.0239719 1.9061564 3 N 1.9061564 0.7020384 1.0239719 1.0239719 1.9061564 -0.7020384 0.7020384 -1.0239719 1.9061564 4 N 1.9061564 -0.7020384 1.0239719 -1.0239719 1.9061564 0.7020384 0.7020384 1.0239719 1.9061564 5 N 1.9061564 -0.7020384 -1.0239719 -1.0239719 1.9061564 -0.7020384 -0.7020384 -1.0239719 1.9061564 6 N 1.9061564 -0.7020384 1.0239719 -1.0239719 1.9061564 0.7020384 0.7020384 1.0239719 1.9061564 7 N 1.9061564 0.7020384 1.0239719 1.0239719 1.9061564 -0.7020384 0.7020384 -1.0239719 1.9061564 8 N 1.9061564 0.7020384 -1.0239719 1.0239719 1.9061564 0.7020384 -0.7020384 1.0239719 1.9061564 9 O -1.2225785 0.2858310 -0.7101803 0.3860013 -1.0876004 -0.4109163 -0.6036491 -0.4969400 -1.3582467 10 O -1.0876004 -0.4109163 -0.3860013 -0.4969400 -1.3582467 0.6036491 -0.2858310 0.7101803 -1.2225785 11 O -1.2225785 -0.2858310 -0.7101803 -0.3860013 -1.0876004 0.4109163 -0.6036491 0.4969400 -1.3582467 12 O -1.2225785 -0.2858310 0.7101803 -0.3860013 -1.0876004 -0.4109163 0.6036491 -0.4969400 -1.3582467 13 O -1.2225785 0.2858310 0.7101803 0.3860013 -1.0876004 0.4109163 0.6036491 0.4969400 -1.3582467 14 O -1.3582467 0.6036491 0.4969400 0.7101803 -1.2225785 0.2858310 0.4109163 0.3860013 -1.0876004 15 O -1.0876004 0.4109163 0.3860013 0.4969400 -1.3582467 0.6036491 0.2858310 0.7101803 -1.2225785 16 O -1.0876004 0.4109163 -0.3860013 0.4969400 -1.3582467 -0.6036491 -0.2858310 -0.7101803 -1.2225785 17 O -1.3582467 -0.6036491 -0.4969400 -0.7101803 -1.2225785 0.2858310 -0.4109163 0.3860013 -1.0876004 18 O -1.0876004 -0.4109163 0.3860013 -0.4969400 -1.3582467 -0.6036491 0.2858310 -0.7101803 -1.2225785 19 O -1.3582467 0.6036491 -0.4969400 0.7101803 -1.2225785 -0.2858310 -0.4109163 -0.3860013 -1.0876004 20 O -1.3582467 -0.6036491 0.4969400 -0.7101803 -1.2225785 -0.2858310 0.4109163 -0.3860013 -1.0876004 21 O -1.0876004 -0.4109163 -0.3860013 -0.4969400 -1.3582467 0.6036491 -0.2858310 0.7101803 -1.2225785 22 O -1.2225785 -0.2858310 -0.7101803 -0.3860013 -1.0876004 0.4109163 -0.6036491 0.4969400 -1.3582467 23 O -1.2225785 -0.2858310 0.7101803 -0.3860013 -1.0876004 -0.4109163 0.6036491 -0.4969400 -1.3582467 24 O -1.2225785 0.2858310 -0.7101803 0.3860013 -1.0876004 -0.4109163 -0.6036491 -0.4969400 -1.3582467 25 O -1.2225785 0.2858310 0.7101803 0.3860013 -1.0876004 0.4109163 0.6036491 0.4969400 -1.3582467 26 O -1.3582467 0.6036491 0.4969400 0.7101803 -1.2225785 0.2858310 0.4109163 0.3860013 -1.0876004 27 O -1.0876004 0.4109163 0.3860013 0.4969400 -1.3582467 0.6036491 0.2858310 0.7101803 -1.2225785 28 O -1.0876004 0.4109163 -0.3860013 0.4969400 -1.3582467 -0.6036491 -0.2858310 -0.7101803 -1.2225785 29 O -1.3582467 -0.6036491 -0.4969400 -0.7101803 -1.2225785 0.2858310 -0.4109163 0.3860013 -1.0876004 30 O -1.0876004 -0.4109163 0.3860013 -0.4969400 -1.3582467 -0.6036491 0.2858310 -0.7101803 -1.2225785 31 O -1.3582467 0.6036491 -0.4969400 0.7101803 -1.2225785 -0.2858310 -0.4109163 -0.3860013 -1.0876004 32 O -1.3582467 -0.6036491 0.4969400 -0.7101803 -1.2225785 -0.2858310 0.4109163 -0.3860013 -1.0876004 33 Pb 3.5245385 0.3254961 -0.1665046 0.1665046 3.5245385 0.3254961 -0.3254961 0.1665046 3.5245385 34 Pb 3.5245385 0.3254961 0.1665046 0.1665046 3.5245385 -0.3254961 0.3254961 -0.1665046 3.5245385 35 Pb 3.5245385 -0.3254961 0.1665046 -0.1665046 3.5245385 0.3254961 0.3254961 0.1665046 3.5245385 36 Pb 3.5245385 -0.3254961 -0.1665046 -0.1665046 3.5245385 -0.3254961 -0.3254961 -0.1665046 3.5245385 ---------------------------------------------------------------------------- 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] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 04:54:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:54:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pa-3 (205) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.824288110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.824288110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.824288110000000 Atomic positions (fractional): 1 N 0.84180217468472 0.84180217468472 0.84180217468472 14.007 2 N 0.84180217468472 0.65819782531528 0.34180217468472 14.007 3 N 0.65819782531528 0.34180217468472 0.84180217468472 14.007 4 N 0.34180217468472 0.84180217468472 0.65819782531528 14.007 5 N 0.15819782531528 0.15819782531528 0.15819782531528 14.007 6 N 0.65819782531528 0.15819782531528 0.34180217468472 14.007 7 N 0.34180217468472 0.65819782531528 0.15819782531528 14.007 8 N 0.15819782531528 0.34180217468472 0.65819782531528 14.007 9 O 0.27074694562906 0.78115809639648 0.52667742715070 15.999 10 O 0.71884190360352 0.47332257284930 0.77074694562906 15.999 11 O 0.72925305437094 0.28115809639648 0.97332257284930 15.999 12 O 0.77074694562906 0.71884190360352 0.47332257284930 15.999 13 O 0.77074694562906 0.78115809639648 0.97332257284930 15.999 14 O 0.97332257284930 0.77074694562906 0.78115809639648 15.999 15 O 0.78115809639648 0.97332257284930 0.77074694562906 15.999 16 O 0.71884190360352 0.02667742715070 0.27074694562906 15.999 17 O 0.47332257284930 0.72925305437094 0.21884190360352 15.999 18 O 0.21884190360352 0.47332257284930 0.72925305437094 15.999 19 O 0.52667742715070 0.22925305437094 0.28115809639648 15.999 20 O 0.02667742715070 0.27074694562906 0.71884190360352 15.999 21 O 0.28115809639648 0.52667742715070 0.22925305437094 15.999 22 O 0.27074694562906 0.71884190360352 0.02667742715070 15.999 23 O 0.22925305437094 0.28115809639648 0.52667742715070 15.999 24 O 0.72925305437094 0.21884190360352 0.47332257284930 15.999 25 O 0.22925305437094 0.21884190360352 0.02667742715070 15.999 26 O 0.02667742715070 0.22925305437094 0.21884190360352 15.999 27 O 0.21884190360352 0.02667742715070 0.22925305437094 15.999 28 O 0.28115809639648 0.97332257284930 0.72925305437094 15.999 29 O 0.52667742715070 0.27074694562906 0.78115809639648 15.999 30 O 0.78115809639648 0.52667742715070 0.27074694562906 15.999 31 O 0.47332257284930 0.77074694562906 0.71884190360352 15.999 32 O 0.97332257284930 0.72925305437094 0.28115809639648 15.999 33 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 34 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 35 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 36 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.824288110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.824288110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.824288110000000 Atomic positions (fractional): 1 N 0.84180217468472 0.84180217468472 0.84180217468472 14.007 > 1 2 N 0.84180217468472 0.65819782531528 0.34180217468472 14.007 > 2 3 N 0.65819782531528 0.34180217468472 0.84180217468472 14.007 > 3 4 N 0.34180217468472 0.84180217468472 0.65819782531528 14.007 > 4 5 N 0.15819782531528 0.15819782531528 0.15819782531528 14.007 > 5 6 N 0.65819782531528 0.15819782531528 0.34180217468472 14.007 > 6 7 N 0.34180217468472 0.65819782531528 0.15819782531528 14.007 > 7 8 N 0.15819782531528 0.34180217468472 0.65819782531528 14.007 > 8 9 O 0.27074694562906 0.78115809639648 0.52667742715070 15.999 > 9 10 O 0.71884190360352 0.47332257284930 0.77074694562906 15.999 > 10 11 O 0.72925305437094 0.28115809639648 0.97332257284930 15.999 > 11 12 O 0.77074694562906 0.71884190360352 0.47332257284930 15.999 > 12 13 O 0.77074694562906 0.78115809639648 0.97332257284930 15.999 > 13 14 O 0.97332257284930 0.77074694562906 0.78115809639648 15.999 > 14 15 O 0.78115809639648 0.97332257284930 0.77074694562906 15.999 > 15 16 O 0.71884190360352 0.02667742715070 0.27074694562906 15.999 > 16 17 O 0.47332257284930 0.72925305437094 0.21884190360352 15.999 > 17 18 O 0.21884190360352 0.47332257284930 0.72925305437094 15.999 > 18 19 O 0.52667742715070 0.22925305437094 0.28115809639648 15.999 > 19 20 O 0.02667742715070 0.27074694562906 0.71884190360352 15.999 > 20 21 O 0.28115809639648 0.52667742715070 0.22925305437094 15.999 > 21 22 O 0.27074694562906 0.71884190360352 0.02667742715070 15.999 > 22 23 O 0.22925305437094 0.28115809639648 0.52667742715070 15.999 > 23 24 O 0.72925305437094 0.21884190360352 0.47332257284930 15.999 > 24 25 O 0.22925305437094 0.21884190360352 0.02667742715070 15.999 > 25 26 O 0.02667742715070 0.22925305437094 0.21884190360352 15.999 > 26 27 O 0.21884190360352 0.02667742715070 0.22925305437094 15.999 > 27 28 O 0.28115809639648 0.97332257284930 0.72925305437094 15.999 > 28 29 O 0.52667742715070 0.27074694562906 0.78115809639648 15.999 > 29 30 O 0.78115809639648 0.52667742715070 0.27074694562906 15.999 > 30 31 O 0.47332257284930 0.77074694562906 0.71884190360352 15.999 > 31 32 O 0.97332257284930 0.72925305437094 0.28115809639648 15.999 > 32 33 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 33 34 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 34 35 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 35 36 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3097473 0.0000000 0.0000000 0.0000000 3.3097473 0.0000000 0.0000000 0.0000000 3.3097473 -------------------------- Born effective charges -------------------------- 1 N 1.9061564 -0.7020384 -1.0239719 -1.0239719 1.9061564 -0.7020384 -0.7020384 -1.0239719 1.9061564 2 N 1.9061564 0.7020384 -1.0239719 1.0239719 1.9061564 0.7020384 -0.7020384 1.0239719 1.9061564 3 N 1.9061564 0.7020384 1.0239719 1.0239719 1.9061564 -0.7020384 0.7020384 -1.0239719 1.9061564 4 N 1.9061564 -0.7020384 1.0239719 -1.0239719 1.9061564 0.7020384 0.7020384 1.0239719 1.9061564 5 N 1.9061564 -0.7020384 -1.0239719 -1.0239719 1.9061564 -0.7020384 -0.7020384 -1.0239719 1.9061564 6 N 1.9061564 -0.7020384 1.0239719 -1.0239719 1.9061564 0.7020384 0.7020384 1.0239719 1.9061564 7 N 1.9061564 0.7020384 1.0239719 1.0239719 1.9061564 -0.7020384 0.7020384 -1.0239719 1.9061564 8 N 1.9061564 0.7020384 -1.0239719 1.0239719 1.9061564 0.7020384 -0.7020384 1.0239719 1.9061564 9 O -1.2225785 0.2858310 -0.7101803 0.3860013 -1.0876004 -0.4109163 -0.6036491 -0.4969400 -1.3582467 10 O -1.0876004 -0.4109163 -0.3860013 -0.4969400 -1.3582467 0.6036491 -0.2858310 0.7101803 -1.2225785 11 O -1.2225785 -0.2858310 -0.7101803 -0.3860013 -1.0876004 0.4109163 -0.6036491 0.4969400 -1.3582467 12 O -1.2225785 -0.2858310 0.7101803 -0.3860013 -1.0876004 -0.4109163 0.6036491 -0.4969400 -1.3582467 13 O -1.2225785 0.2858310 0.7101803 0.3860013 -1.0876004 0.4109163 0.6036491 0.4969400 -1.3582467 14 O -1.3582467 0.6036491 0.4969400 0.7101803 -1.2225785 0.2858310 0.4109163 0.3860013 -1.0876004 15 O -1.0876004 0.4109163 0.3860013 0.4969400 -1.3582467 0.6036491 0.2858310 0.7101803 -1.2225785 16 O -1.0876004 0.4109163 -0.3860013 0.4969400 -1.3582467 -0.6036491 -0.2858310 -0.7101803 -1.2225785 17 O -1.3582467 -0.6036491 -0.4969400 -0.7101803 -1.2225785 0.2858310 -0.4109163 0.3860013 -1.0876004 18 O -1.0876004 -0.4109163 0.3860013 -0.4969400 -1.3582467 -0.6036491 0.2858310 -0.7101803 -1.2225785 19 O -1.3582467 0.6036491 -0.4969400 0.7101803 -1.2225785 -0.2858310 -0.4109163 -0.3860013 -1.0876004 20 O -1.3582467 -0.6036491 0.4969400 -0.7101803 -1.2225785 -0.2858310 0.4109163 -0.3860013 -1.0876004 21 O -1.0876004 -0.4109163 -0.3860013 -0.4969400 -1.3582467 0.6036491 -0.2858310 0.7101803 -1.2225785 22 O -1.2225785 -0.2858310 -0.7101803 -0.3860013 -1.0876004 0.4109163 -0.6036491 0.4969400 -1.3582467 23 O -1.2225785 -0.2858310 0.7101803 -0.3860013 -1.0876004 -0.4109163 0.6036491 -0.4969400 -1.3582467 24 O -1.2225785 0.2858310 -0.7101803 0.3860013 -1.0876004 -0.4109163 -0.6036491 -0.4969400 -1.3582467 25 O -1.2225785 0.2858310 0.7101803 0.3860013 -1.0876004 0.4109163 0.6036491 0.4969400 -1.3582467 26 O -1.3582467 0.6036491 0.4969400 0.7101803 -1.2225785 0.2858310 0.4109163 0.3860013 -1.0876004 27 O -1.0876004 0.4109163 0.3860013 0.4969400 -1.3582467 0.6036491 0.2858310 0.7101803 -1.2225785 28 O -1.0876004 0.4109163 -0.3860013 0.4969400 -1.3582467 -0.6036491 -0.2858310 -0.7101803 -1.2225785 29 O -1.3582467 -0.6036491 -0.4969400 -0.7101803 -1.2225785 0.2858310 -0.4109163 0.3860013 -1.0876004 30 O -1.0876004 -0.4109163 0.3860013 -0.4969400 -1.3582467 -0.6036491 0.2858310 -0.7101803 -1.2225785 31 O -1.3582467 0.6036491 -0.4969400 0.7101803 -1.2225785 -0.2858310 -0.4109163 -0.3860013 -1.0876004 32 O -1.3582467 -0.6036491 0.4969400 -0.7101803 -1.2225785 -0.2858310 0.4109163 -0.3860013 -1.0876004 33 Pb 3.5245385 0.3254961 -0.1665046 0.1665046 3.5245385 0.3254961 -0.3254961 0.1665046 3.5245385 34 Pb 3.5245385 0.3254961 0.1665046 0.1665046 3.5245385 -0.3254961 0.3254961 -0.1665046 3.5245385 35 Pb 3.5245385 -0.3254961 0.1665046 -0.1665046 3.5245385 0.3254961 0.3254961 0.1665046 3.5245385 36 Pb 3.5245385 -0.3254961 -0.1665046 -0.1665046 3.5245385 -0.3254961 -0.3254961 -0.1665046 3.5245385 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 6 ] 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: 0.53, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/24) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 0.000) 0.000 21.283 ( 0.000 0.000 0.000) 0.000 21.283 ( 0.000 0.000 0.000) 0.000 21.283 ( 0.000 0.000 0.000) 0.000 21.306 ( 0.000 0.000 0.000) 0.000 21.306 ( 0.000 0.000 0.000) 0.000 21.375 ( 0.000 0.000 0.000) 0.000 21.375 ( 0.000 0.000 0.000) 0.000 21.375 ( 0.000 0.000 0.000) 0.000 21.459 ( 0.000 0.000 0.000) 0.000 21.459 ( 0.000 0.000 0.000) 0.000 21.509 ( 0.000 0.000 0.000) 0.000 21.509 ( 0.000 0.000 0.000) 0.000 21.509 ( 0.000 0.000 0.000) 0.000 21.642 ( 0.000 0.000 0.000) 0.000 21.642 ( 0.000 0.000 0.000) 0.000 21.642 ( 0.000 0.000 0.000) 0.000 23.460 ( 0.000 0.000 0.000) 0.000 23.460 ( 0.000 0.000 0.000) 0.000 23.460 ( 0.000 0.000 0.000) 0.000 23.470 ( 0.000 0.000 0.000) 0.000 23.499 ( 0.000 0.000 0.000) 0.000 23.499 ( 0.000 0.000 0.000) 0.000 23.499 ( 0.000 0.000 0.000) 0.000 23.546 ( 0.000 0.000 0.000) 0.000 32.156 ( 0.000 0.000 0.000) 0.000 32.156 ( 0.000 0.000 0.000) 0.000 32.156 ( 0.000 0.000 0.000) 0.000 32.158 ( 0.000 0.000 0.000) 0.000 32.158 ( 0.000 0.000 0.000) 0.000 32.158 ( 0.000 0.000 0.000) 0.000 32.171 ( 0.000 0.000 0.000) 0.000 32.192 ( 0.000 0.000 0.000) 0.000 40.829 ( 0.000 0.000 0.000) 0.000 40.829 ( 0.000 0.000 0.000) 0.000 40.829 ( 0.000 0.000 0.000) 0.000 41.190 ( 0.000 0.000 0.000) 0.000 41.190 ( 0.000 0.000 0.000) 0.000 42.083 ( 0.000 0.000 0.000) 0.000 42.083 ( 0.000 0.000 0.000) 0.000 42.083 ( 0.000 0.000 0.000) 0.000 42.104 ( 0.000 0.000 0.000) 0.000 42.104 ( 0.000 0.000 0.000) 0.000 42.326 ( 0.000 0.000 0.000) 0.000 42.326 ( 0.000 0.000 0.000) 0.000 42.326 ( 0.000 0.000 0.000) 0.000 42.589 ( 0.000 0.000 0.000) 0.000 42.589 ( 0.000 0.000 0.000) 0.000 42.589 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/24) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 15.130 0.000 0.000) 15.130 0.374 ( 16.997 0.000 0.000) 16.997 0.655 ( 29.781 0.000 0.000) 29.781 1.088 ( -2.581 0.000 0.000) 2.581 1.133 ( -1.165 0.000 0.000) 1.165 1.191 ( 9.554 0.000 0.000) 9.554 1.208 ( 11.438 0.000 0.000) 11.438 1.273 ( 10.989 0.000 0.000) 10.989 1.916 ( 1.327 0.000 0.000) 1.327 1.986 ( 4.633 0.000 0.000) 4.633 2.201 ( -0.895 0.000 0.000) 0.895 2.214 ( 0.454 0.000 0.000) 0.454 2.312 ( -4.510 0.000 0.000) 4.510 2.396 ( -0.051 0.000 0.000) 0.051 2.406 ( -1.689 0.000 0.000) 1.689 2.416 ( -4.437 0.000 0.000) 4.437 2.464 ( -3.139 0.000 0.000) 3.139 2.488 ( 0.464 0.000 0.000) 0.464 2.528 ( -4.433 0.000 0.000) 4.433 2.566 ( -3.061 0.000 0.000) 3.061 2.693 ( 2.519 0.000 0.000) 2.519 2.824 ( 9.702 0.000 0.000) 9.702 2.876 ( -10.308 0.000 0.000) 10.308 2.967 ( -1.309 0.000 0.000) 1.309 3.092 ( -3.488 0.000 0.000) 3.488 3.106 ( 5.948 0.000 0.000) 5.948 3.182 ( -4.505 0.000 0.000) 4.505 3.363 ( 2.254 0.000 0.000) 2.254 3.390 ( 15.363 0.000 0.000) 15.363 3.423 ( -14.157 0.000 0.000) 14.157 3.447 ( 3.983 0.000 0.000) 3.983 3.720 ( -2.276 0.000 0.000) 2.276 3.737 ( -1.487 0.000 0.000) 1.487 3.803 ( 5.793 0.000 0.000) 5.793 4.005 ( 10.760 0.000 0.000) 10.760 4.159 ( -10.365 0.000 0.000) 10.365 4.263 ( -6.118 0.000 0.000) 6.118 4.353 ( -1.758 0.000 0.000) 1.758 4.356 ( -5.463 0.000 0.000) 5.463 4.460 ( 4.217 0.000 0.000) 4.217 4.547 ( 7.178 0.000 0.000) 7.178 4.741 ( -5.250 0.000 0.000) 5.250 4.813 ( 1.379 0.000 0.000) 1.379 4.881 ( -4.395 0.000 0.000) 4.395 4.891 ( 6.081 0.000 0.000) 6.081 4.915 ( -3.404 0.000 0.000) 3.404 4.969 ( -3.895 0.000 0.000) 3.895 4.993 ( -0.285 0.000 0.000) 0.285 5.013 ( 0.268 0.000 0.000) 0.268 5.035 ( -0.871 0.000 0.000) 0.871 5.042 ( 3.217 0.000 0.000) 3.217 5.195 ( -1.504 0.000 0.000) 1.504 5.241 ( 3.476 0.000 0.000) 3.476 5.276 ( 2.081 0.000 0.000) 2.081 5.589 ( -4.118 0.000 0.000) 4.118 5.613 ( -1.962 0.000 0.000) 1.962 5.643 ( 0.915 0.000 0.000) 0.915 5.770 ( -1.548 0.000 0.000) 1.548 5.789 ( -0.047 0.000 0.000) 0.047 5.802 ( -2.910 0.000 0.000) 2.910 21.285 ( 0.159 0.000 0.000) 0.159 21.289 ( 0.558 0.000 0.000) 0.558 21.303 ( -0.275 0.000 0.000) 0.275 21.318 ( 1.127 0.000 0.000) 1.127 21.363 ( -0.625 0.000 0.000) 0.625 21.370 ( -0.220 0.000 0.000) 0.220 21.371 ( -0.321 0.000 0.000) 0.321 21.413 ( -1.902 0.000 0.000) 1.902 21.470 ( 0.832 0.000 0.000) 0.832 21.502 ( -0.611 0.000 0.000) 0.611 21.505 ( 2.251 0.000 0.000) 2.251 21.509 ( -0.173 0.000 0.000) 0.173 21.509 ( 0.063 0.000 0.000) 0.063 21.637 ( -0.530 0.000 0.000) 0.530 21.647 ( 0.437 0.000 0.000) 0.437 21.649 ( 0.526 0.000 0.000) 0.526 23.460 ( 0.025 0.000 0.000) 0.025 23.461 ( 0.036 0.000 0.000) 0.036 23.469 ( -0.083 0.000 0.000) 0.083 23.474 ( -0.142 0.000 0.000) 0.142 23.499 ( 0.028 0.000 0.000) 0.028 23.499 ( 0.028 0.000 0.000) 0.028 23.503 ( 0.364 0.000 0.000) 0.364 23.544 ( -0.233 0.000 0.000) 0.233 32.143 ( -0.489 0.000 0.000) 0.489 32.152 ( -0.301 0.000 0.000) 0.301 32.158 ( 0.181 0.000 0.000) 0.181 32.159 ( 0.119 0.000 0.000) 0.119 32.160 ( 0.170 0.000 0.000) 0.170 32.172 ( 0.017 0.000 0.000) 0.017 32.174 ( 0.788 0.000 0.000) 0.788 32.194 ( 0.189 0.000 0.000) 0.189 40.851 ( 1.958 0.000 0.000) 1.958 40.892 ( 5.718 0.000 0.000) 5.718 41.161 ( -2.553 0.000 0.000) 2.553 41.265 ( 6.851 0.000 0.000) 6.851 41.859 ( -12.146 0.000 0.000) 12.146 42.082 ( -0.238 0.000 0.000) 0.238 42.098 ( 1.482 0.000 0.000) 1.482 42.113 ( 0.160 0.000 0.000) 0.160 42.122 ( 1.593 0.000 0.000) 1.593 42.234 ( -7.500 0.000 0.000) 7.500 42.258 ( 5.530 0.000 0.000) 5.530 42.320 ( -0.644 0.000 0.000) 0.644 42.564 ( -2.050 0.000 0.000) 2.050 42.581 ( -0.671 0.000 0.000) 0.671 42.626 ( 2.601 0.000 0.000) 2.601 42.785 ( -0.930 0.000 0.000) 0.930 ======================= Grid point 2 (3/24) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 10.869 0.000 0.000) 10.869 0.710 ( 14.175 0.000 0.000) 14.175 0.976 ( -4.708 0.000 0.000) 4.708 1.086 ( -3.626 0.000 0.000) 3.626 1.286 ( 25.681 0.000 0.000) 25.681 1.426 ( 11.225 0.000 0.000) 11.225 1.510 ( 15.318 0.000 0.000) 15.318 1.545 ( 12.342 0.000 0.000) 12.342 1.954 ( 1.693 0.000 0.000) 1.693 1.986 ( -4.399 0.000 0.000) 4.399 2.142 ( -6.056 0.000 0.000) 6.056 2.188 ( -5.369 0.000 0.000) 5.369 2.245 ( -8.877 0.000 0.000) 8.877 2.265 ( 1.290 0.000 0.000) 1.290 2.269 ( -8.554 0.000 0.000) 8.554 2.414 ( -4.030 0.000 0.000) 4.030 2.423 ( 0.981 0.000 0.000) 0.981 2.436 ( 1.876 0.000 0.000) 1.876 2.548 ( -0.398 0.000 0.000) 0.398 2.596 ( 1.467 0.000 0.000) 1.467 2.722 ( 2.268 0.000 0.000) 2.268 2.781 ( 3.712 0.000 0.000) 3.712 2.954 ( 0.997 0.000 0.000) 0.997 2.967 ( 3.491 0.000 0.000) 3.491 3.050 ( -7.453 0.000 0.000) 7.453 3.055 ( 1.479 0.000 0.000) 1.479 3.142 ( -12.144 0.000 0.000) 12.144 3.258 ( 5.376 0.000 0.000) 5.376 3.448 ( 5.240 0.000 0.000) 5.240 3.480 ( 1.110 0.000 0.000) 1.110 3.644 ( -4.751 0.000 0.000) 4.751 3.688 ( 9.208 0.000 0.000) 9.208 3.722 ( 2.118 0.000 0.000) 2.118 3.945 ( -6.981 0.000 0.000) 6.981 3.980 ( 8.947 0.000 0.000) 8.947 4.096 ( -8.867 0.000 0.000) 8.867 4.157 ( 2.953 0.000 0.000) 2.953 4.201 ( -8.080 0.000 0.000) 8.080 4.341 ( 0.714 0.000 0.000) 0.714 4.579 ( 6.469 0.000 0.000) 6.469 4.593 ( -8.354 0.000 0.000) 8.354 4.699 ( 7.007 0.000 0.000) 7.007 4.807 ( -2.630 0.000 0.000) 2.630 4.862 ( 3.205 0.000 0.000) 3.205 4.865 ( -1.169 0.000 0.000) 1.169 4.883 ( -3.072 0.000 0.000) 3.072 4.924 ( -2.009 0.000 0.000) 2.009 4.967 ( -1.860 0.000 0.000) 1.860 4.973 ( -4.484 0.000 0.000) 4.484 5.114 ( -5.511 0.000 0.000) 5.511 5.116 ( 8.305 0.000 0.000) 8.305 5.141 ( 5.538 0.000 0.000) 5.538 5.290 ( 0.507 0.000 0.000) 0.507 5.359 ( 4.932 0.000 0.000) 4.932 5.468 ( -6.994 0.000 0.000) 6.994 5.554 ( -3.553 0.000 0.000) 3.553 5.679 ( 2.389 0.000 0.000) 2.389 5.728 ( -2.091 0.000 0.000) 2.091 5.731 ( -3.063 0.000 0.000) 3.063 5.776 ( -1.286 0.000 0.000) 1.286 21.287 ( 0.051 0.000 0.000) 0.051 21.296 ( -0.340 0.000 0.000) 0.340 21.306 ( 0.986 0.000 0.000) 0.986 21.348 ( -0.722 0.000 0.000) 0.722 21.349 ( 1.594 0.000 0.000) 1.594 21.363 ( -0.318 0.000 0.000) 0.318 21.373 ( 0.395 0.000 0.000) 0.395 21.378 ( -1.333 0.000 0.000) 1.333 21.485 ( -0.799 0.000 0.000) 0.799 21.489 ( 0.857 0.000 0.000) 0.857 21.495 ( -1.053 0.000 0.000) 1.053 21.510 ( -0.106 0.000 0.000) 0.106 21.551 ( 2.049 0.000 0.000) 2.049 21.620 ( -1.084 0.000 0.000) 1.084 21.659 ( 0.598 0.000 0.000) 0.598 21.661 ( 0.518 0.000 0.000) 0.518 23.462 ( 0.078 0.000 0.000) 0.078 23.462 ( 0.112 0.000 0.000) 0.112 23.466 ( -0.123 0.000 0.000) 0.123 23.470 ( -0.216 0.000 0.000) 0.216 23.500 ( 0.026 0.000 0.000) 0.026 23.500 ( 0.026 0.000 0.000) 0.026 23.513 ( 0.556 0.000 0.000) 0.556 23.536 ( -0.439 0.000 0.000) 0.439 32.137 ( -0.128 0.000 0.000) 0.128 32.144 ( -0.387 0.000 0.000) 0.387 32.162 ( 0.148 0.000 0.000) 0.148 32.162 ( 0.123 0.000 0.000) 0.123 32.164 ( 0.258 0.000 0.000) 0.258 32.172 ( -0.043 0.000 0.000) 0.043 32.189 ( 0.590 0.000 0.000) 0.590 32.198 ( 0.113 0.000 0.000) 0.113 40.910 ( 3.535 0.000 0.000) 3.535 41.063 ( 10.109 0.000 0.000) 10.109 41.088 ( -4.104 0.000 0.000) 4.104 41.466 ( 11.528 0.000 0.000) 11.528 41.586 ( -13.202 0.000 0.000) 13.202 41.994 ( -10.465 0.000 0.000) 10.465 42.114 ( -0.906 0.000 0.000) 0.906 42.115 ( 0.030 0.000 0.000) 0.030 42.148 ( 3.170 0.000 0.000) 3.170 42.167 ( 2.529 0.000 0.000) 2.529 42.295 ( -1.716 0.000 0.000) 1.716 42.312 ( -0.675 0.000 0.000) 0.675 42.530 ( -0.449 0.000 0.000) 0.449 42.564 ( -0.945 0.000 0.000) 0.945 42.679 ( 2.247 0.000 0.000) 2.247 42.758 ( -1.524 0.000 0.000) 1.524 ======================= Grid point 3 (4/24) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -8.020 0.000 0.000) 8.020 0.835 ( 8.020 0.000 0.000) 8.020 0.958 ( -8.768 0.000 0.000) 8.768 0.958 ( 8.768 0.000 0.000) 8.768 1.628 ( -6.156 0.000 0.000) 6.156 1.628 ( 6.156 0.000 0.000) 6.156 1.720 ( -6.320 0.000 0.000) 6.320 1.720 ( 6.320 0.000 0.000) 6.320 1.943 ( -2.704 0.000 0.000) 2.704 1.943 ( 2.704 0.000 0.000) 2.704 2.008 ( -8.687 0.000 0.000) 8.687 2.008 ( 8.687 0.000 0.000) 8.687 2.147 ( -1.952 0.000 0.000) 1.952 2.147 ( 1.952 0.000 0.000) 1.952 2.332 ( -3.873 0.000 0.000) 3.873 2.332 ( 3.873 0.000 0.000) 3.873 2.484 ( -2.844 0.000 0.000) 2.844 2.484 ( 2.844 0.000 0.000) 2.844 2.518 ( -6.573 0.000 0.000) 6.573 2.518 ( 6.573 0.000 0.000) 6.573 2.886 ( -8.427 0.000 0.000) 8.427 2.886 ( 8.427 0.000 0.000) 8.427 2.905 ( -9.048 0.000 0.000) 9.048 2.905 ( 9.048 0.000 0.000) 9.048 2.997 ( -0.481 0.000 0.000) 0.481 2.997 ( 0.481 0.000 0.000) 0.481 3.192 ( -9.493 0.000 0.000) 9.493 3.192 ( 9.493 0.000 0.000) 9.493 3.539 ( -4.388 0.000 0.000) 4.388 3.539 ( 4.388 0.000 0.000) 4.388 3.611 ( -9.639 0.000 0.000) 9.639 3.611 ( 9.639 0.000 0.000) 9.639 3.872 ( -9.581 0.000 0.000) 9.581 3.872 ( 9.581 0.000 0.000) 9.581 4.038 ( -7.268 0.000 0.000) 7.268 4.038 ( 7.268 0.000 0.000) 7.268 4.132 ( -4.739 0.000 0.000) 4.739 4.132 ( 4.739 0.000 0.000) 4.739 4.416 ( -6.825 0.000 0.000) 6.825 4.416 ( 6.825 0.000 0.000) 6.825 4.715 ( -5.834 0.000 0.000) 5.834 4.715 ( 5.834 0.000 0.000) 5.834 4.835 ( -4.603 0.000 0.000) 4.603 4.835 ( 4.603 0.000 0.000) 4.603 4.887 ( -2.085 0.000 0.000) 2.085 4.887 ( 2.085 0.000 0.000) 2.085 4.889 ( -0.367 0.000 0.000) 0.367 4.889 ( 0.367 0.000 0.000) 0.367 4.988 ( -5.360 0.000 0.000) 5.360 4.988 ( 5.360 0.000 0.000) 5.360 5.251 ( -4.055 0.000 0.000) 4.055 5.251 ( 4.055 0.000 0.000) 4.055 5.300 ( -8.543 0.000 0.000) 8.543 5.300 ( 8.543 0.000 0.000) 8.543 5.465 ( -4.746 0.000 0.000) 4.746 5.465 ( 4.746 0.000 0.000) 4.746 5.699 ( -0.197 0.000 0.000) 0.197 5.699 ( 0.197 0.000 0.000) 0.197 5.734 ( -2.519 0.000 0.000) 2.519 5.734 ( 2.519 0.000 0.000) 2.519 21.290 ( -0.195 0.000 0.000) 0.195 21.290 ( 0.195 0.000 0.000) 0.195 21.329 ( -1.099 0.000 0.000) 1.099 21.329 ( 1.099 0.000 0.000) 1.099 21.361 ( -0.219 0.000 0.000) 0.219 21.361 ( 0.219 0.000 0.000) 0.219 21.375 ( -0.519 0.000 0.000) 0.519 21.375 ( 0.519 0.000 0.000) 0.519 21.477 ( -0.279 0.000 0.000) 0.279 21.477 ( 0.279 0.000 0.000) 0.279 21.503 ( -0.488 0.000 0.000) 0.488 21.503 ( 0.488 0.000 0.000) 0.488 21.591 ( -1.625 0.000 0.000) 1.625 21.591 ( 1.625 0.000 0.000) 1.625 21.667 ( -0.036 0.000 0.000) 0.036 21.667 ( 0.036 0.000 0.000) 0.036 23.464 ( -0.115 0.000 0.000) 0.115 23.464 ( 0.115 0.000 0.000) 0.115 23.465 ( -0.197 0.000 0.000) 0.197 23.465 ( 0.197 0.000 0.000) 0.197 23.500 ( -0.001 0.000 0.000) 0.001 23.500 ( 0.001 0.000 0.000) 0.001 23.525 ( -0.566 0.000 0.000) 0.566 23.525 ( 0.566 0.000 0.000) 0.566 32.138 ( -0.212 0.000 0.000) 0.212 32.138 ( 0.212 0.000 0.000) 0.212 32.163 ( -0.002 0.000 0.000) 0.002 32.163 ( 0.002 0.000 0.000) 0.002 32.169 ( -0.172 0.000 0.000) 0.172 32.169 ( 0.172 0.000 0.000) 0.172 32.197 ( -0.220 0.000 0.000) 0.220 32.197 ( 0.220 0.000 0.000) 0.220 40.996 ( -4.364 0.000 0.000) 4.364 40.996 ( 4.364 0.000 0.000) 4.364 41.308 ( -12.579 0.000 0.000) 12.579 41.308 ( 12.579 0.000 0.000) 12.579 41.733 ( -13.000 0.000 0.000) 13.000 41.733 ( 13.000 0.000 0.000) 13.000 42.113 ( -0.173 0.000 0.000) 0.173 42.113 ( 0.173 0.000 0.000) 0.173 42.208 ( -0.409 0.000 0.000) 0.409 42.208 ( 0.409 0.000 0.000) 0.409 42.268 ( -1.003 0.000 0.000) 1.003 42.268 ( 1.003 0.000 0.000) 1.003 42.542 ( -1.058 0.000 0.000) 1.058 42.542 ( 1.058 0.000 0.000) 1.058 42.722 ( -1.841 0.000 0.000) 1.841 42.722 ( 1.841 0.000 0.000) 1.841 ======================= Grid point 8 (5/24) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 10.856 12.181 0.000) 16.317 0.720 ( 21.231 8.319 0.000) 22.803 0.739 ( 9.930 22.025 0.000) 24.160 1.119 ( 0.927 -0.060 0.000) 0.929 1.149 ( -1.817 4.792 0.000) 5.125 1.214 ( 7.370 -1.271 0.000) 7.478 1.250 ( 5.685 8.254 0.000) 10.022 1.427 ( 11.299 11.701 0.000) 16.266 1.936 ( 1.866 1.890 0.000) 2.656 2.030 ( 2.340 2.078 0.000) 3.129 2.203 ( -1.289 0.079 0.000) 1.292 2.233 ( -0.565 -1.250 0.000) 1.372 2.298 ( -5.379 -0.225 0.000) 5.384 2.355 ( -1.801 -2.954 0.000) 3.460 2.390 ( -2.717 -4.233 0.000) 5.030 2.407 ( 0.525 -5.004 0.000) 5.032 2.413 ( -0.793 -1.312 0.000) 1.533 2.482 ( -3.648 -5.515 0.000) 6.612 2.495 ( 0.817 6.388 0.000) 6.440 2.589 ( 3.399 2.187 0.000) 4.042 2.764 ( -4.122 6.545 0.000) 7.735 2.765 ( 4.944 -4.439 0.000) 6.644 2.842 ( 1.067 -11.949 0.000) 11.996 2.866 ( -7.579 0.789 0.000) 7.620 2.996 ( -2.012 2.002 0.000) 2.838 3.208 ( 1.959 -5.993 0.000) 6.304 3.222 ( -2.804 7.574 0.000) 8.076 3.329 ( -6.916 0.007 0.000) 6.916 3.397 ( 13.995 1.954 0.000) 14.131 3.483 ( 2.769 -0.414 0.000) 2.800 3.540 ( 4.488 8.890 0.000) 9.959 3.647 ( -1.877 3.226 0.000) 3.732 3.766 ( 3.485 -3.090 0.000) 4.657 4.021 ( 2.921 10.995 0.000) 11.376 4.032 ( 5.623 1.255 0.000) 5.761 4.115 ( -4.545 -7.936 0.000) 9.145 4.207 ( -3.860 -1.584 0.000) 4.172 4.293 ( -0.202 -3.027 0.000) 3.034 4.369 ( -8.034 2.530 0.000) 8.423 4.437 ( 1.465 -4.891 0.000) 5.106 4.565 ( 4.113 2.734 0.000) 4.939 4.651 ( -5.626 -1.710 0.000) 5.880 4.834 ( -1.998 0.490 0.000) 2.058 4.839 ( -5.106 -4.438 0.000) 6.765 4.849 ( 7.080 -6.507 0.000) 9.616 4.917 ( -5.893 -2.052 0.000) 6.240 4.956 ( -1.981 0.180 0.000) 1.989 4.970 ( 2.510 3.917 0.000) 4.653 5.007 ( -0.319 -0.424 0.000) 0.530 5.063 ( 2.630 -0.637 0.000) 2.706 5.067 ( -0.299 2.109 0.000) 2.130 5.210 ( 0.865 -1.703 0.000) 1.910 5.244 ( -1.409 3.236 0.000) 3.529 5.283 ( 2.965 1.283 0.000) 3.231 5.567 ( -4.195 -2.031 0.000) 4.661 5.591 ( -0.008 -3.746 0.000) 3.746 5.628 ( -1.009 0.589 0.000) 1.168 5.746 ( -1.368 -2.399 0.000) 2.761 5.771 ( -1.576 -0.053 0.000) 1.577 5.789 ( -1.764 -2.375 0.000) 2.958 21.291 ( 0.503 0.137 0.000) 0.521 21.291 ( 0.177 0.535 0.000) 0.564 21.307 ( 0.088 0.049 0.000) 0.101 21.324 ( 0.792 0.819 0.000) 1.140 21.358 ( -0.436 -0.652 0.000) 0.784 21.365 ( -0.212 0.009 0.000) 0.213 21.370 ( -0.010 0.017 0.000) 0.020 21.432 ( -0.165 -0.565 0.000) 0.588 21.457 ( -0.454 0.146 0.000) 0.477 21.491 ( 0.603 0.474 0.000) 0.767 21.497 ( -0.561 -0.507 0.000) 0.755 21.506 ( -0.170 -0.369 0.000) 0.406 21.533 ( 0.919 1.079 0.000) 1.417 21.640 ( -0.525 0.304 0.000) 0.606 21.642 ( 0.519 -0.502 0.000) 0.722 21.655 ( 0.415 0.515 0.000) 0.662 23.460 ( 0.014 0.003 0.000) 0.015 23.461 ( 0.013 0.027 0.000) 0.030 23.468 ( -0.072 -0.072 0.000) 0.102 23.471 ( -0.152 -0.140 0.000) 0.207 23.500 ( 0.054 0.053 0.000) 0.076 23.503 ( 0.339 0.001 0.000) 0.339 23.505 ( 0.046 0.368 0.000) 0.371 23.541 ( -0.218 -0.217 0.000) 0.307 32.145 ( 0.012 -0.345 0.000) 0.346 32.146 ( -0.454 0.260 0.000) 0.524 32.155 ( 0.261 -0.280 0.000) 0.383 32.161 ( 0.153 0.141 0.000) 0.208 32.172 ( 0.024 0.022 0.000) 0.032 32.174 ( -0.017 0.834 0.000) 0.834 32.175 ( 0.745 0.092 0.000) 0.750 32.197 ( 0.171 0.172 0.000) 0.242 40.911 ( 1.759 5.523 0.000) 5.796 40.915 ( 5.373 2.150 0.000) 5.787 41.206 ( 1.243 0.490 0.000) 1.336 41.290 ( 4.521 4.699 0.000) 6.521 41.808 ( -6.445 -7.709 0.000) 10.048 41.968 ( -3.696 -0.733 0.000) 3.768 42.080 ( -1.435 -1.561 0.000) 2.121 42.095 ( 1.294 -0.222 0.000) 1.313 42.230 ( 0.247 1.131 0.000) 1.157 42.241 ( -3.102 1.788 0.000) 3.581 42.279 ( 1.199 2.620 0.000) 2.882 42.292 ( 2.843 -6.363 0.000) 6.969 42.525 ( -2.238 -2.915 0.000) 3.675 42.558 ( -3.654 1.920 0.000) 4.128 42.620 ( 2.109 -0.809 0.000) 2.259 42.778 ( -0.989 -0.979 0.000) 1.391 ======================= Grid point 9 (6/24) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 9.554 9.263 0.000) 13.307 0.900 ( 7.559 14.985 0.000) 16.784 1.041 ( -2.326 5.153 0.000) 5.654 1.112 ( -2.043 3.235 0.000) 3.826 1.289 ( 22.337 0.314 0.000) 22.339 1.422 ( 10.887 -3.713 0.000) 11.503 1.437 ( 9.750 2.052 0.000) 9.964 1.694 ( 12.459 8.301 0.000) 14.971 1.988 ( 2.526 3.155 0.000) 4.041 2.002 ( -5.001 -0.441 0.000) 5.021 2.099 ( -8.464 -7.079 0.000) 11.034 2.120 ( -9.014 -2.565 0.000) 9.372 2.205 ( -4.696 -2.303 0.000) 5.231 2.247 ( -3.442 0.373 0.000) 3.462 2.308 ( -2.772 0.301 0.000) 2.789 2.407 ( -3.457 -2.989 0.000) 4.570 2.425 ( 1.840 3.878 0.000) 4.292 2.533 ( -0.082 1.892 0.000) 1.894 2.541 ( 3.719 6.265 0.000) 7.286 2.637 ( 3.888 -5.086 0.000) 6.402 2.737 ( 5.136 8.445 0.000) 9.885 2.795 ( -0.669 3.581 0.000) 3.643 2.823 ( 0.233 -13.345 0.000) 13.347 2.877 ( 0.846 -7.136 0.000) 7.186 2.946 ( -2.019 -1.748 0.000) 2.671 3.149 ( -6.922 0.037 0.000) 6.922 3.170 ( -0.032 8.606 0.000) 8.606 3.311 ( 3.063 -3.204 0.000) 4.433 3.532 ( 0.090 14.955 0.000) 14.955 3.572 ( 0.883 7.497 0.000) 7.549 3.661 ( 5.269 -3.925 0.000) 6.570 3.715 ( 10.556 2.697 0.000) 10.895 3.820 ( 1.508 -6.929 0.000) 7.091 3.879 ( -9.287 11.528 0.000) 14.804 3.985 ( -5.164 0.444 0.000) 5.183 4.177 ( 1.930 -1.019 0.000) 2.182 4.199 ( -5.271 2.656 0.000) 5.902 4.211 ( 3.612 -3.569 0.000) 5.078 4.274 ( -1.973 5.278 0.000) 5.635 4.489 ( 4.776 -7.051 0.000) 8.516 4.550 ( -7.848 -3.684 0.000) 8.669 4.668 ( 3.202 -7.759 0.000) 8.393 4.733 ( -2.980 -4.114 0.000) 5.080 4.782 ( -5.601 -4.737 0.000) 7.336 4.821 ( 3.162 2.134 0.000) 3.815 4.907 ( -2.127 -0.741 0.000) 2.252 4.963 ( -2.193 1.152 0.000) 2.477 5.009 ( 4.144 -0.655 0.000) 4.195 5.031 ( -2.933 4.633 0.000) 5.483 5.054 ( 6.320 -0.448 0.000) 6.336 5.147 ( 5.043 -1.085 0.000) 5.158 5.155 ( -4.607 1.953 0.000) 5.004 5.246 ( 0.020 -2.940 0.000) 2.940 5.369 ( 4.582 1.299 0.000) 4.762 5.444 ( -7.074 -2.184 0.000) 7.403 5.555 ( -3.253 -0.152 0.000) 3.257 5.641 ( 2.044 -3.008 0.000) 3.636 5.709 ( -1.841 -1.993 0.000) 2.713 5.729 ( -2.157 -0.100 0.000) 2.159 5.745 ( -2.128 -2.786 0.000) 3.505 21.294 ( 0.091 0.558 0.000) 0.566 21.301 ( -0.043 0.354 0.000) 0.356 21.310 ( 0.691 0.297 0.000) 0.752 21.346 ( -0.682 -0.284 0.000) 0.738 21.350 ( 1.341 0.287 0.000) 1.371 21.370 ( 0.562 0.216 0.000) 0.602 21.372 ( 0.295 0.648 0.000) 0.712 21.400 ( -1.572 1.493 0.000) 2.168 21.471 ( 0.666 -1.473 0.000) 1.617 21.480 ( -0.909 -0.500 0.000) 1.037 21.492 ( -0.505 -0.197 0.000) 0.542 21.502 ( -0.244 -0.671 0.000) 0.714 21.561 ( 1.641 0.853 0.000) 1.849 21.623 ( -1.035 0.350 0.000) 1.092 21.657 ( 0.707 -0.346 0.000) 0.787 21.664 ( 0.350 0.193 0.000) 0.399 23.461 ( 0.059 -0.040 0.000) 0.071 23.461 ( 0.067 -0.016 0.000) 0.069 23.466 ( -0.098 -0.044 0.000) 0.107 23.468 ( -0.152 -0.117 0.000) 0.192 23.501 ( 0.080 0.127 0.000) 0.150 23.504 ( -0.044 0.348 0.000) 0.350 23.513 ( 0.524 -0.055 0.000) 0.527 23.534 ( -0.413 -0.174 0.000) 0.449 32.140 ( -0.141 0.290 0.000) 0.322 32.143 ( -0.147 -0.044 0.000) 0.154 32.162 ( 0.305 -0.234 0.000) 0.384 32.165 ( 0.182 0.155 0.000) 0.239 32.172 ( -0.031 0.095 0.000) 0.100 32.173 ( -0.080 0.798 0.000) 0.802 32.189 ( 0.587 0.052 0.000) 0.589 32.200 ( 0.082 0.125 0.000) 0.149 40.963 ( 3.077 4.902 0.000) 5.787 41.042 ( 4.349 1.197 0.000) 4.511 41.204 ( 1.740 6.279 0.000) 6.516 41.476 ( 11.404 1.236 0.000) 11.471 41.601 ( -11.407 0.270 0.000) 11.411 41.927 ( -3.331 -4.824 0.000) 5.862 42.054 ( -1.171 -3.492 0.000) 3.683 42.072 ( -6.798 0.627 0.000) 6.827 42.141 ( 3.028 -0.705 0.000) 3.108 42.267 ( 0.164 3.486 0.000) 3.490 42.300 ( -0.121 -0.814 0.000) 0.823 42.325 ( 0.328 -1.487 0.000) 1.523 42.489 ( -0.754 -3.018 0.000) 3.111 42.505 ( -1.441 -1.996 0.000) 2.462 42.663 ( 1.922 -1.524 0.000) 2.453 42.746 ( -1.869 -1.308 0.000) 2.281 ======================= Grid point 10 (7/24) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -6.593 7.549 0.000) 10.023 0.920 ( 6.593 7.549 0.000) 10.023 1.045 ( -4.405 7.074 0.000) 8.333 1.045 ( 4.405 7.074 0.000) 8.333 1.572 ( -0.217 -2.222 0.000) 2.233 1.572 ( 0.217 -2.222 0.000) 2.233 1.729 ( -15.535 -2.190 0.000) 15.688 1.729 ( 15.535 -2.190 0.000) 15.688 1.950 ( -2.122 -2.106 0.000) 2.990 1.950 ( 2.122 -2.106 0.000) 2.990 1.996 ( -4.169 1.456 0.000) 4.416 1.996 ( 4.169 1.456 0.000) 4.416 2.153 ( -0.417 1.429 0.000) 1.489 2.153 ( 0.417 1.429 0.000) 1.489 2.330 ( -3.230 -1.515 0.000) 3.568 2.330 ( 3.230 -1.515 0.000) 3.568 2.468 ( -2.348 3.309 0.000) 4.057 2.468 ( 2.348 3.309 0.000) 4.057 2.660 ( -6.752 6.105 0.000) 9.103 2.660 ( 6.752 6.105 0.000) 9.103 2.767 ( -4.299 -6.334 0.000) 7.655 2.767 ( 4.299 -6.334 0.000) 7.655 2.903 ( -0.229 -3.087 0.000) 3.095 2.903 ( 0.229 -3.087 0.000) 3.095 2.972 ( -8.579 0.869 0.000) 8.623 2.972 ( 8.579 0.869 0.000) 8.623 3.260 ( -6.818 4.501 0.000) 8.170 3.260 ( 6.818 4.501 0.000) 8.170 3.571 ( -3.038 4.483 0.000) 5.415 3.571 ( 3.038 4.483 0.000) 5.415 3.727 ( -2.025 5.390 0.000) 5.757 3.727 ( 2.025 5.390 0.000) 5.757 3.829 ( -6.652 -0.081 0.000) 6.652 3.829 ( 6.652 -0.081 0.000) 6.652 4.038 ( -7.671 1.555 0.000) 7.827 4.038 ( 7.671 1.555 0.000) 7.827 4.235 ( -1.414 4.901 0.000) 5.101 4.235 ( 1.414 4.901 0.000) 5.101 4.341 ( -9.070 -5.365 0.000) 10.538 4.341 ( 9.070 -5.365 0.000) 10.538 4.618 ( -6.536 -6.391 0.000) 9.141 4.618 ( 6.536 -6.391 0.000) 9.141 4.721 ( -2.634 -8.173 0.000) 8.587 4.721 ( 2.634 -8.173 0.000) 8.587 4.906 ( -2.123 -0.466 0.000) 2.174 4.906 ( 2.123 -0.466 0.000) 2.174 4.938 ( -5.658 5.701 0.000) 8.032 4.938 ( 5.658 5.701 0.000) 8.032 5.066 ( -3.101 3.243 0.000) 4.487 5.066 ( 3.101 3.243 0.000) 4.487 5.199 ( -4.767 -3.916 0.000) 6.170 5.199 ( 4.767 -3.916 0.000) 6.170 5.280 ( -7.636 -1.922 0.000) 7.874 5.280 ( 7.636 -1.922 0.000) 7.874 5.469 ( -4.569 0.684 0.000) 4.620 5.469 ( 4.569 0.684 0.000) 4.620 5.689 ( -1.011 -2.408 0.000) 2.612 5.689 ( 1.011 -2.408 0.000) 2.612 5.699 ( -0.946 -1.657 0.000) 1.908 5.699 ( 0.946 -1.657 0.000) 1.908 21.297 ( -0.187 0.565 0.000) 0.595 21.297 ( 0.187 0.565 0.000) 0.595 21.329 ( -0.920 -0.015 0.000) 0.920 21.329 ( 0.920 -0.015 0.000) 0.920 21.371 ( -0.752 0.891 0.000) 1.166 21.371 ( 0.752 0.891 0.000) 1.166 21.382 ( -0.277 0.607 0.000) 0.668 21.382 ( 0.277 0.607 0.000) 0.668 21.469 ( -0.180 -0.678 0.000) 0.701 21.469 ( 0.180 -0.678 0.000) 0.701 21.494 ( -0.487 -0.818 0.000) 0.953 21.494 ( 0.487 -0.818 0.000) 0.953 21.596 ( -1.536 0.503 0.000) 1.616 21.596 ( 1.536 0.503 0.000) 1.616 21.667 ( -0.163 -0.126 0.000) 0.206 21.667 ( 0.163 -0.126 0.000) 0.206 23.462 ( -0.030 -0.084 0.000) 0.089 23.462 ( 0.030 -0.084 0.000) 0.089 23.465 ( -0.069 -0.022 0.000) 0.073 23.465 ( 0.069 -0.022 0.000) 0.073 23.503 ( -0.076 0.239 0.000) 0.251 23.503 ( 0.076 0.239 0.000) 0.251 23.524 ( -0.536 -0.118 0.000) 0.549 23.524 ( 0.536 -0.118 0.000) 0.549 32.140 ( -0.107 0.198 0.000) 0.225 32.140 ( 0.107 0.198 0.000) 0.225 32.167 ( -0.089 -0.128 0.000) 0.156 32.167 ( 0.089 -0.128 0.000) 0.156 32.171 ( -0.039 0.529 0.000) 0.531 32.171 ( 0.039 0.529 0.000) 0.531 32.198 ( -0.243 0.072 0.000) 0.253 32.198 ( 0.243 0.072 0.000) 0.253 41.033 ( -3.070 3.543 0.000) 4.688 41.033 ( 3.070 3.543 0.000) 4.688 41.359 ( -10.696 3.771 0.000) 11.341 41.359 ( 10.696 3.771 0.000) 11.341 41.736 ( -12.213 0.266 0.000) 12.216 41.736 ( 12.213 0.266 0.000) 12.216 42.031 ( -0.800 -4.055 0.000) 4.133 42.031 ( 0.800 -4.055 0.000) 4.133 42.218 ( -3.774 -0.997 0.000) 3.904 42.218 ( 3.774 -0.997 0.000) 3.904 42.314 ( -1.064 2.047 0.000) 2.307 42.314 ( 1.064 2.047 0.000) 2.307 42.488 ( -0.377 -3.514 0.000) 3.534 42.488 ( 0.377 -3.514 0.000) 3.534 42.704 ( -1.979 -1.674 0.000) 2.592 42.704 ( 1.979 -1.674 0.000) 2.592 ======================= Grid point 15 (8/24) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 7.177 12.536 0.000) 14.445 0.848 ( 16.375 5.793 0.000) 17.369 1.058 ( 6.496 -3.532 0.000) 7.394 1.159 ( 6.390 -4.077 0.000) 7.580 1.281 ( -0.311 23.718 0.000) 23.720 1.340 ( -4.815 11.898 0.000) 12.835 1.520 ( 1.240 14.898 0.000) 14.950 1.658 ( 7.345 7.419 0.000) 10.440 1.977 ( -1.437 -5.296 0.000) 5.488 1.978 ( 1.710 0.077 0.000) 1.711 2.111 ( -5.254 -8.324 0.000) 9.844 2.187 ( -1.008 -3.616 0.000) 3.753 2.223 ( -1.850 -8.095 0.000) 8.304 2.303 ( 2.801 -3.493 0.000) 4.477 2.315 ( 5.154 -1.863 0.000) 5.480 2.319 ( -6.792 -0.334 0.000) 6.800 2.417 ( 0.481 0.784 0.000) 0.920 2.440 ( 1.946 2.439 0.000) 3.120 2.555 ( -3.802 -7.227 0.000) 8.167 2.623 ( 1.910 -0.289 0.000) 1.931 2.666 ( 1.134 6.753 0.000) 6.847 2.771 ( -0.145 1.349 0.000) 1.357 2.896 ( -7.790 2.860 0.000) 8.298 2.925 ( -0.101 6.003 0.000) 6.004 3.034 ( -0.769 3.150 0.000) 3.242 3.090 ( 2.681 -5.315 0.000) 5.952 3.190 ( 1.118 -10.413 0.000) 10.472 3.340 ( 4.305 3.105 0.000) 5.308 3.475 ( 4.690 3.448 0.000) 5.821 3.489 ( 5.028 4.274 0.000) 6.599 3.719 ( 0.772 1.581 0.000) 1.760 3.780 ( 5.914 -2.677 0.000) 6.492 3.786 ( 5.738 10.890 0.000) 12.309 3.895 ( -2.951 -9.168 0.000) 9.631 3.967 ( 0.268 4.841 0.000) 4.849 4.105 ( 0.700 -7.711 0.000) 7.743 4.218 ( 3.796 3.077 0.000) 4.886 4.260 ( 3.452 -8.225 0.000) 8.920 4.325 ( 1.206 2.690 0.000) 2.948 4.475 ( -9.253 6.170 0.000) 11.122 4.643 ( -1.611 3.729 0.000) 4.062 4.658 ( 1.608 -8.821 0.000) 8.966 4.660 ( -10.091 -0.653 0.000) 10.112 4.749 ( -5.788 -1.270 0.000) 5.926 4.872 ( -8.107 -2.165 0.000) 8.391 4.882 ( 3.337 3.296 0.000) 4.690 4.919 ( -1.435 -6.842 0.000) 6.991 4.945 ( 0.173 -0.135 0.000) 0.219 5.022 ( 4.067 -1.668 0.000) 4.395 5.114 ( 0.836 -2.015 0.000) 2.181 5.131 ( 1.180 7.813 0.000) 7.901 5.176 ( 1.102 2.710 0.000) 2.926 5.310 ( -0.427 1.597 0.000) 1.653 5.333 ( 0.103 3.425 0.000) 3.426 5.472 ( 0.444 -6.970 0.000) 6.984 5.506 ( -4.316 -3.563 0.000) 5.596 5.663 ( -1.440 2.400 0.000) 2.799 5.693 ( -2.168 -2.285 0.000) 3.150 5.722 ( -1.569 -3.239 0.000) 3.599 5.759 ( -1.543 -1.245 0.000) 1.982 21.293 ( 0.547 0.113 0.000) 0.559 21.303 ( 0.545 -0.315 0.000) 0.630 21.307 ( 0.108 0.926 0.000) 0.932 21.344 ( -0.301 -0.690 0.000) 0.753 21.352 ( 0.340 1.571 0.000) 1.608 21.366 ( 0.307 0.074 0.000) 0.316 21.376 ( 0.318 0.464 0.000) 0.562 21.398 ( 1.476 -1.585 0.000) 2.166 21.479 ( -1.311 1.023 0.000) 1.663 21.482 ( -0.379 -0.760 0.000) 0.850 21.491 ( -0.370 -1.021 0.000) 1.086 21.500 ( -0.440 0.113 0.000) 0.454 21.563 ( 0.859 1.619 0.000) 1.833 21.625 ( 0.561 -1.074 0.000) 1.212 21.650 ( -0.567 0.653 0.000) 0.865 21.665 ( 0.089 0.253 0.000) 0.269 23.461 ( -0.026 0.095 0.000) 0.099 23.462 ( -0.010 0.069 0.000) 0.069 23.466 ( -0.049 -0.112 0.000) 0.122 23.468 ( -0.126 -0.166 0.000) 0.208 23.501 ( 0.119 0.065 0.000) 0.135 23.503 ( 0.276 -0.013 0.000) 0.277 23.514 ( 0.013 0.488 0.000) 0.488 23.535 ( -0.169 -0.404 0.000) 0.438 32.140 ( 0.229 -0.077 0.000) 0.241 32.148 ( 0.301 -0.366 0.000) 0.474 32.153 ( -0.352 0.355 0.000) 0.500 32.163 ( 0.060 -0.010 0.000) 0.061 32.173 ( 0.175 0.122 0.000) 0.213 32.176 ( 0.644 0.046 0.000) 0.646 32.190 ( 0.053 0.600 0.000) 0.602 32.200 ( 0.129 0.090 0.000) 0.158 40.978 ( 5.673 3.668 0.000) 6.756 41.076 ( 1.186 9.741 0.000) 9.813 41.156 ( 5.510 -3.850 0.000) 6.722 41.475 ( 1.394 11.311 0.000) 11.397 41.576 ( -1.195 -12.337 0.000) 12.395 41.992 ( -0.233 -9.076 0.000) 9.079 42.034 ( -5.945 5.256 0.000) 7.935 42.097 ( -0.083 0.495 0.000) 0.501 42.149 ( 1.821 -3.679 0.000) 4.105 42.238 ( 0.496 0.009 0.000) 0.497 42.257 ( -2.415 0.029 0.000) 2.415 42.294 ( -1.628 -2.705 0.000) 3.157 42.493 ( -1.742 0.947 0.000) 1.983 42.589 ( 1.251 -2.037 0.000) 2.390 42.627 ( -3.829 3.427 0.000) 5.139 42.744 ( -1.436 -2.085 0.000) 2.531 ======================= Grid point 16 (9/24) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 8.343 10.688 0.000) 13.559 1.138 ( 5.240 3.438 0.000) 6.267 1.212 ( 3.640 6.938 0.000) 7.835 1.249 ( -2.532 8.099 0.000) 8.485 1.312 ( 10.075 7.767 0.000) 12.722 1.344 ( 9.446 -2.638 0.000) 9.807 1.586 ( 4.517 12.011 0.000) 12.832 1.798 ( 2.881 -6.681 0.000) 7.276 1.898 ( -7.820 -11.282 0.000) 13.727 1.907 ( -3.591 1.793 0.000) 4.014 2.075 ( 1.444 0.804 0.000) 1.653 2.112 ( -6.620 -0.380 0.000) 6.631 2.181 ( -1.332 -3.049 0.000) 3.327 2.202 ( -2.201 0.927 0.000) 2.388 2.317 ( -0.779 -5.075 0.000) 5.134 2.322 ( -2.826 1.878 0.000) 3.393 2.526 ( 2.813 -2.448 0.000) 3.729 2.543 ( 7.659 -9.792 0.000) 12.431 2.544 ( 4.145 1.240 0.000) 4.326 2.611 ( -2.737 1.475 0.000) 3.109 2.653 ( -3.499 6.221 0.000) 7.137 2.820 ( 2.959 1.056 0.000) 3.141 2.822 ( 5.391 3.602 0.000) 6.484 2.890 ( -4.291 -2.100 0.000) 4.778 3.033 ( 0.363 14.133 0.000) 14.137 3.102 ( -1.992 -3.030 0.000) 3.626 3.262 ( 5.831 -4.320 0.000) 7.257 3.351 ( -0.606 7.247 0.000) 7.272 3.599 ( 3.682 0.715 0.000) 3.751 3.612 ( 1.214 -5.241 0.000) 5.379 3.791 ( 3.467 5.599 0.000) 6.585 3.813 ( 3.773 0.425 0.000) 3.797 3.837 ( 0.848 4.240 0.000) 4.324 3.952 ( -3.359 4.409 0.000) 5.543 3.953 ( 6.615 0.682 0.000) 6.650 4.105 ( 0.628 -2.911 0.000) 2.978 4.221 ( -1.949 4.140 0.000) 4.576 4.301 ( -6.757 6.435 0.000) 9.331 4.312 ( 1.636 -7.389 0.000) 7.568 4.453 ( -10.086 -5.102 0.000) 11.303 4.461 ( 9.550 1.600 0.000) 9.683 4.498 ( -6.874 1.269 0.000) 6.990 4.649 ( -4.578 -7.718 0.000) 8.974 4.671 ( -6.293 -3.175 0.000) 7.048 4.805 ( 7.205 -6.490 0.000) 9.697 4.876 ( -1.224 -7.820 0.000) 7.916 4.897 ( -4.547 2.325 0.000) 5.107 4.992 ( 5.984 2.807 0.000) 6.609 5.117 ( 4.723 -1.357 0.000) 4.914 5.125 ( -0.839 -3.235 0.000) 3.342 5.157 ( -3.035 5.164 0.000) 5.990 5.159 ( 1.382 6.941 0.000) 7.077 5.245 ( -2.974 3.012 0.000) 4.233 5.376 ( -4.919 -3.085 0.000) 5.807 5.405 ( 1.732 0.032 0.000) 1.732 5.486 ( 0.555 -6.489 0.000) 6.513 5.625 ( -1.741 1.863 0.000) 2.550 5.649 ( -1.820 -3.015 0.000) 3.522 5.680 ( -1.761 -2.827 0.000) 3.330 5.716 ( -2.279 -1.231 0.000) 2.590 21.307 ( 0.491 0.238 0.000) 0.545 21.309 ( 0.051 0.781 0.000) 0.783 21.313 ( 0.522 0.011 0.000) 0.522 21.337 ( -0.357 -0.498 0.000) 0.613 21.368 ( 1.124 1.284 0.000) 1.707 21.380 ( 1.023 0.696 0.000) 1.237 21.387 ( 0.776 0.704 0.000) 1.048 21.424 ( 0.198 -0.341 0.000) 0.395 21.446 ( -0.794 0.241 0.000) 0.830 21.467 ( -0.963 -0.606 0.000) 1.138 21.482 ( -0.481 -1.168 0.000) 1.263 21.485 ( -1.053 -0.544 0.000) 1.185 21.585 ( 1.232 1.366 0.000) 1.839 21.635 ( -0.898 0.742 0.000) 1.165 21.642 ( 0.874 -1.025 0.000) 1.347 21.664 ( -0.150 -0.268 0.000) 0.307 23.461 ( 0.006 0.045 0.000) 0.046 23.462 ( 0.005 0.032 0.000) 0.033 23.465 ( -0.060 -0.081 0.000) 0.101 23.465 ( -0.097 -0.116 0.000) 0.151 23.505 ( 0.194 0.167 0.000) 0.256 23.511 ( 0.438 -0.107 0.000) 0.451 23.513 ( -0.121 0.405 0.000) 0.423 23.529 ( -0.338 -0.320 0.000) 0.465 32.144 ( 0.131 0.135 0.000) 0.188 32.148 ( -0.155 0.427 0.000) 0.454 32.155 ( 0.344 -0.340 0.000) 0.483 32.163 ( -0.024 -0.230 0.000) 0.232 32.178 ( 0.297 0.428 0.000) 0.521 32.189 ( -0.119 0.658 0.000) 0.669 32.190 ( 0.564 -0.049 0.000) 0.566 32.202 ( 0.012 0.027 0.000) 0.030 41.105 ( 4.818 4.244 0.000) 6.421 41.110 ( 1.835 8.586 0.000) 8.780 41.272 ( 4.953 -0.880 0.000) 5.030 41.520 ( -4.325 -8.060 0.000) 9.147 41.568 ( 7.931 8.286 0.000) 11.470 41.919 ( -4.911 4.652 0.000) 6.765 41.982 ( -0.536 -4.924 0.000) 4.954 42.110 ( -7.913 2.126 0.000) 8.194 42.119 ( 2.135 -1.249 0.000) 2.473 42.191 ( 2.081 -6.842 0.000) 7.151 42.246 ( -2.714 -3.746 0.000) 4.626 42.264 ( -0.565 -4.127 0.000) 4.165 42.477 ( 0.216 2.519 0.000) 2.529 42.549 ( -3.120 3.955 0.000) 5.038 42.616 ( 1.416 -2.829 0.000) 3.164 42.702 ( -2.347 -2.765 0.000) 3.627 ======================= Grid point 17 (10/24) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -5.690 10.791 0.000) 12.199 1.126 ( 5.690 10.791 0.000) 12.199 1.209 ( -1.130 7.395 0.000) 7.481 1.209 ( 1.130 7.395 0.000) 7.481 1.545 ( -6.237 -1.866 0.000) 6.510 1.545 ( 6.237 -1.866 0.000) 6.510 1.639 ( -11.661 -5.740 0.000) 12.997 1.639 ( 11.661 -5.740 0.000) 12.997 1.867 ( -4.784 -1.415 0.000) 4.989 1.867 ( 4.784 -1.415 0.000) 4.989 2.049 ( -2.421 -1.118 0.000) 2.666 2.049 ( 2.421 -1.118 0.000) 2.666 2.185 ( -0.457 2.755 0.000) 2.793 2.185 ( 0.457 2.755 0.000) 2.793 2.297 ( -0.730 -1.225 0.000) 1.426 2.297 ( 0.730 -1.225 0.000) 1.426 2.550 ( -1.239 -2.759 0.000) 3.025 2.550 ( 1.239 -2.759 0.000) 3.025 2.590 ( -1.660 0.744 0.000) 1.819 2.590 ( 1.660 0.744 0.000) 1.819 2.745 ( -8.051 -2.303 0.000) 8.374 2.745 ( 8.051 -2.303 0.000) 8.374 2.931 ( -1.189 3.508 0.000) 3.704 2.931 ( 1.189 3.508 0.000) 3.704 3.019 ( -3.286 6.298 0.000) 7.104 3.019 ( 3.286 6.298 0.000) 7.104 3.356 ( -1.222 1.804 0.000) 2.179 3.356 ( 1.222 1.804 0.000) 2.179 3.598 ( -0.668 0.296 0.000) 0.731 3.598 ( 0.668 0.296 0.000) 0.731 3.797 ( -1.732 -0.121 0.000) 1.736 3.797 ( 1.732 -0.121 0.000) 1.736 3.945 ( -0.785 8.138 0.000) 8.176 3.945 ( 0.785 8.138 0.000) 8.176 4.117 ( -8.755 4.622 0.000) 9.900 4.117 ( 8.755 4.622 0.000) 9.900 4.206 ( -8.102 -1.991 0.000) 8.343 4.206 ( 8.102 -1.991 0.000) 8.343 4.276 ( -2.635 -2.387 0.000) 3.556 4.276 ( 2.635 -2.387 0.000) 3.556 4.473 ( -6.106 -7.040 0.000) 9.319 4.473 ( 6.106 -7.040 0.000) 9.319 4.659 ( -5.057 0.326 0.000) 5.068 4.659 ( 5.057 0.326 0.000) 5.068 4.804 ( -0.304 -6.046 0.000) 6.054 4.804 ( 0.304 -6.046 0.000) 6.054 5.013 ( -8.035 -2.525 0.000) 8.423 5.013 ( 8.035 -2.525 0.000) 8.423 5.103 ( -3.607 2.142 0.000) 4.195 5.103 ( 3.607 2.142 0.000) 4.195 5.191 ( -2.090 4.943 0.000) 5.367 5.191 ( 2.090 4.943 0.000) 5.367 5.233 ( -6.254 -2.041 0.000) 6.579 5.233 ( 6.254 -2.041 0.000) 6.579 5.470 ( -2.384 -2.412 0.000) 3.391 5.470 ( 2.384 -2.412 0.000) 3.391 5.614 ( -1.038 -1.914 0.000) 2.177 5.614 ( 1.038 -1.914 0.000) 2.177 5.675 ( -1.237 -1.585 0.000) 2.011 5.675 ( 1.237 -1.585 0.000) 2.011 21.310 ( -0.040 0.617 0.000) 0.618 21.310 ( 0.040 0.617 0.000) 0.618 21.327 ( -0.601 -0.174 0.000) 0.626 21.327 ( 0.601 -0.174 0.000) 0.626 21.396 ( -1.022 1.290 0.000) 1.646 21.396 ( 1.022 1.290 0.000) 1.646 21.399 ( -0.329 1.051 0.000) 1.101 21.399 ( 0.329 1.051 0.000) 1.101 21.452 ( -0.233 -0.844 0.000) 0.875 21.452 ( 0.233 -0.844 0.000) 0.875 21.471 ( -0.273 -1.302 0.000) 1.331 21.471 ( 0.273 -1.302 0.000) 1.331 21.612 ( -1.230 1.002 0.000) 1.587 21.612 ( 1.230 1.002 0.000) 1.587 21.657 ( -0.517 -0.771 0.000) 0.928 21.657 ( 0.517 -0.771 0.000) 0.928 23.461 ( -0.019 0.004 0.000) 0.020 23.461 ( 0.019 0.004 0.000) 0.020 23.464 ( -0.022 -0.071 0.000) 0.074 23.464 ( 0.022 -0.071 0.000) 0.074 23.509 ( -0.201 0.297 0.000) 0.359 23.509 ( 0.201 0.297 0.000) 0.359 23.521 ( -0.450 -0.216 0.000) 0.499 23.521 ( 0.450 -0.216 0.000) 0.499 32.146 ( -0.066 0.346 0.000) 0.353 32.146 ( 0.066 0.346 0.000) 0.353 32.161 ( -0.194 -0.319 0.000) 0.374 32.161 ( 0.194 -0.319 0.000) 0.374 32.185 ( -0.275 0.621 0.000) 0.679 32.185 ( 0.275 0.621 0.000) 0.679 32.199 ( -0.293 -0.043 0.000) 0.296 32.199 ( 0.293 -0.043 0.000) 0.296 41.143 ( -0.735 6.486 0.000) 6.527 41.143 ( 0.735 6.486 0.000) 6.527 41.397 ( -6.623 -1.812 0.000) 6.867 41.397 ( 6.623 -1.812 0.000) 6.867 41.774 ( -9.587 4.594 0.000) 10.631 41.774 ( 9.587 4.594 0.000) 10.631 41.989 ( -2.165 -0.488 0.000) 2.219 41.989 ( 2.165 -0.488 0.000) 2.219 42.179 ( -3.255 -2.308 0.000) 3.990 42.179 ( 3.255 -2.308 0.000) 3.990 42.235 ( -1.922 -7.526 0.000) 7.768 42.235 ( 1.922 -7.526 0.000) 7.768 42.498 ( -1.696 3.523 0.000) 3.910 42.498 ( 1.696 3.523 0.000) 3.910 42.653 ( -2.092 -3.038 0.000) 3.689 42.653 ( 2.092 -3.038 0.000) 3.689 ======================= Grid point 23 (11/24) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 10.418 -5.002 0.000) 11.557 0.963 ( 10.418 5.002 0.000) 11.557 1.026 ( 5.866 -8.660 0.000) 10.460 1.026 ( 5.866 8.660 0.000) 10.460 1.597 ( -2.553 -10.799 0.000) 11.096 1.597 ( -2.553 10.799 0.000) 11.096 1.705 ( -1.966 -11.207 0.000) 11.378 1.705 ( -1.966 11.207 0.000) 11.378 1.907 ( -2.524 -8.318 0.000) 8.692 1.907 ( -2.524 8.318 0.000) 8.692 2.024 ( 1.267 -8.549 0.000) 8.643 2.024 ( 1.267 8.549 0.000) 8.643 2.204 ( 4.535 -5.744 0.000) 7.318 2.204 ( 4.535 5.744 0.000) 7.318 2.302 ( -3.057 -1.335 0.000) 3.336 2.302 ( -3.057 1.335 0.000) 3.336 2.458 ( -2.299 -2.735 0.000) 3.573 2.458 ( -2.299 2.735 0.000) 3.573 2.546 ( 2.917 -5.954 0.000) 6.630 2.546 ( 2.917 5.954 0.000) 6.630 2.797 ( -1.304 -2.276 0.000) 2.623 2.797 ( -1.304 2.276 0.000) 2.623 2.946 ( -4.860 -1.949 0.000) 5.237 2.946 ( -4.860 1.949 0.000) 5.237 3.024 ( 5.047 -2.115 0.000) 5.472 3.024 ( 5.047 2.115 0.000) 5.472 3.234 ( 4.342 -11.379 0.000) 12.179 3.234 ( 4.342 11.379 0.000) 12.179 3.609 ( 5.205 -8.620 0.000) 10.069 3.609 ( 5.205 8.620 0.000) 10.069 3.628 ( 0.832 -9.571 0.000) 9.607 3.628 ( 0.832 9.571 0.000) 9.607 3.904 ( 2.168 -10.406 0.000) 10.630 3.904 ( 2.168 10.406 0.000) 10.630 4.051 ( 1.907 -10.411 0.000) 10.585 4.051 ( 1.907 10.411 0.000) 10.585 4.153 ( 2.134 -7.927 0.000) 8.209 4.153 ( 2.134 7.927 0.000) 8.209 4.457 ( 3.993 -8.575 0.000) 9.459 4.457 ( 3.993 8.575 0.000) 9.459 4.593 ( -9.745 -4.517 0.000) 10.741 4.593 ( -9.745 4.517 0.000) 10.741 4.764 ( -4.328 -6.788 0.000) 8.051 4.764 ( -4.328 6.788 0.000) 8.051 4.799 ( -8.373 -4.060 0.000) 9.305 4.799 ( -8.373 4.060 0.000) 9.305 4.962 ( 4.632 -3.623 0.000) 5.880 4.962 ( 4.632 3.623 0.000) 5.880 5.009 ( 1.540 -5.365 0.000) 5.582 5.009 ( 1.540 5.365 0.000) 5.582 5.278 ( 1.827 -4.192 0.000) 4.573 5.278 ( 1.827 4.192 0.000) 4.573 5.307 ( 0.594 -8.303 0.000) 8.324 5.307 ( 0.594 8.303 0.000) 8.324 5.421 ( -3.778 -4.283 0.000) 5.711 5.421 ( -3.778 4.283 0.000) 5.711 5.674 ( -2.059 -0.880 0.000) 2.239 5.674 ( -2.059 0.880 0.000) 2.239 5.718 ( -1.476 -2.487 0.000) 2.892 5.718 ( -1.476 2.487 0.000) 2.892 21.297 ( 0.610 -0.223 0.000) 0.649 21.297 ( 0.610 0.223 0.000) 0.649 21.327 ( -0.120 -0.897 0.000) 0.905 21.327 ( -0.120 0.897 0.000) 0.905 21.373 ( 1.019 -0.711 0.000) 1.243 21.373 ( 1.019 0.711 0.000) 1.243 21.378 ( 0.333 -0.563 0.000) 0.654 21.378 ( 0.333 0.563 0.000) 0.654 21.474 ( -0.337 -0.230 0.000) 0.408 21.474 ( -0.337 0.230 0.000) 0.408 21.495 ( -0.839 -0.517 0.000) 0.986 21.495 ( -0.839 0.517 0.000) 0.986 21.597 ( 0.620 -1.521 0.000) 1.643 21.597 ( 0.620 1.521 0.000) 1.643 21.663 ( -0.348 -0.402 0.000) 0.532 21.663 ( -0.348 0.402 0.000) 0.532 23.463 ( -0.029 -0.106 0.000) 0.110 23.463 ( -0.029 0.106 0.000) 0.110 23.464 ( -0.067 -0.167 0.000) 0.180 23.464 ( -0.067 0.167 0.000) 0.180 23.502 ( 0.198 -0.042 0.000) 0.202 23.502 ( 0.198 0.042 0.000) 0.202 23.525 ( -0.086 -0.510 0.000) 0.518 23.525 ( -0.086 0.510 0.000) 0.518 32.141 ( 0.308 -0.214 0.000) 0.375 32.141 ( 0.308 0.214 0.000) 0.375 32.160 ( -0.182 -0.252 0.000) 0.311 32.160 ( -0.182 0.252 0.000) 0.311 32.176 ( 0.459 -0.095 0.000) 0.468 32.176 ( 0.459 0.095 0.000) 0.468 32.199 ( 0.089 -0.234 0.000) 0.251 32.199 ( 0.089 0.234 0.000) 0.251 41.066 ( 5.891 -4.370 0.000) 7.335 41.066 ( 5.891 4.370 0.000) 7.335 41.312 ( 0.273 -12.053 0.000) 12.056 41.312 ( 0.273 12.053 0.000) 12.056 41.740 ( 0.945 -12.963 0.000) 12.998 41.740 ( 0.945 12.963 0.000) 12.998 42.112 ( -0.028 -0.928 0.000) 0.928 42.112 ( -0.028 0.928 0.000) 0.928 42.163 ( -3.587 -6.293 0.000) 7.244 42.163 ( -3.587 6.293 0.000) 7.244 42.258 ( -1.557 -0.438 0.000) 1.618 42.258 ( -1.557 0.438 0.000) 1.618 42.539 ( -0.080 -2.556 0.000) 2.558 42.539 ( -0.080 2.556 0.000) 2.558 42.693 ( -2.473 -2.747 0.000) 3.696 42.693 ( -2.473 2.747 0.000) 3.696 ======================= Grid point 25 (12/24) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 7.672 -8.414 0.000) 11.387 1.178 ( 7.672 8.414 0.000) 11.387 1.197 ( 9.786 -2.467 0.000) 10.093 1.197 ( 9.786 2.467 0.000) 10.093 1.538 ( -2.577 -13.478 0.000) 13.722 1.538 ( -2.577 13.478 0.000) 13.722 1.615 ( -6.118 -14.860 0.000) 16.070 1.615 ( -6.118 14.860 0.000) 16.070 1.879 ( 0.643 -13.769 0.000) 13.784 1.879 ( 0.643 13.769 0.000) 13.784 2.030 ( -1.929 -6.212 0.000) 6.505 2.030 ( -1.929 6.212 0.000) 6.505 2.238 ( -1.346 -2.357 0.000) 2.714 2.238 ( -1.346 2.357 0.000) 2.714 2.289 ( 1.507 -7.859 0.000) 8.002 2.289 ( 1.507 7.859 0.000) 8.002 2.430 ( 1.655 -4.111 0.000) 4.432 2.430 ( 1.655 4.111 0.000) 4.432 2.602 ( 0.350 -2.723 0.000) 2.746 2.602 ( 0.350 2.723 0.000) 2.746 2.829 ( 2.721 -6.142 0.000) 6.718 2.829 ( 2.721 6.142 0.000) 6.718 2.847 ( -2.485 -2.047 0.000) 3.220 2.847 ( -2.485 2.047 0.000) 3.220 3.124 ( 4.889 -6.322 0.000) 7.992 3.124 ( 4.889 6.322 0.000) 7.992 3.315 ( 0.875 -10.782 0.000) 10.817 3.315 ( 0.875 10.782 0.000) 10.817 3.646 ( 1.774 -9.060 0.000) 9.232 3.646 ( 1.774 9.060 0.000) 9.232 3.697 ( 2.219 -7.722 0.000) 8.034 3.697 ( 2.219 7.722 0.000) 8.034 3.951 ( 3.126 -8.210 0.000) 8.785 3.951 ( 3.126 8.210 0.000) 8.785 4.136 ( 5.775 -8.819 0.000) 10.542 4.136 ( 5.775 8.819 0.000) 10.542 4.214 ( 1.483 -9.732 0.000) 9.845 4.214 ( 1.483 9.732 0.000) 9.845 4.362 ( -9.302 -2.055 0.000) 9.526 4.362 ( -9.302 2.055 0.000) 9.526 4.539 ( -0.049 -7.806 0.000) 7.806 4.539 ( -0.049 7.806 0.000) 7.806 4.584 ( -10.464 -3.495 0.000) 11.033 4.584 ( -10.464 3.495 0.000) 11.033 4.718 ( 3.397 -5.516 0.000) 6.478 4.718 ( 3.397 5.516 0.000) 6.478 5.006 ( -2.707 -6.407 0.000) 6.956 5.006 ( -2.707 6.407 0.000) 6.956 5.067 ( 5.046 -3.235 0.000) 5.994 5.067 ( 5.046 3.235 0.000) 5.994 5.273 ( -3.866 -3.978 0.000) 5.547 5.273 ( -3.866 3.978 0.000) 5.547 5.324 ( 1.010 -8.107 0.000) 8.170 5.324 ( 1.010 8.107 0.000) 8.170 5.355 ( -0.657 -3.980 0.000) 4.034 5.355 ( -0.657 3.980 0.000) 4.034 5.631 ( -1.392 -1.380 0.000) 1.960 5.631 ( -1.392 1.380 0.000) 1.960 5.676 ( -2.299 -2.415 0.000) 3.334 5.676 ( -2.299 2.415 0.000) 3.334 21.311 ( 0.638 -0.168 0.000) 0.660 21.311 ( 0.638 0.168 0.000) 0.660 21.325 ( -0.120 -0.680 0.000) 0.690 21.325 ( -0.120 0.680 0.000) 0.690 21.392 ( 0.991 -0.570 0.000) 1.144 21.392 ( 0.991 0.570 0.000) 1.144 21.400 ( 1.371 -1.169 0.000) 1.801 21.400 ( 1.371 1.169 0.000) 1.801 21.462 ( -0.787 -0.403 0.000) 0.884 21.462 ( -0.787 0.403 0.000) 0.884 21.468 ( -1.581 -1.031 0.000) 1.888 21.468 ( -1.581 1.031 0.000) 1.888 21.615 ( 0.992 -1.404 0.000) 1.719 21.615 ( 0.992 1.404 0.000) 1.719 21.652 ( -0.643 -0.775 0.000) 1.007 21.652 ( -0.643 0.775 0.000) 1.007 23.463 ( -0.043 -0.105 0.000) 0.113 23.463 ( -0.035 -0.088 0.000) 0.095 23.463 ( -0.037 0.091 0.000) 0.098 23.463 ( -0.042 0.102 0.000) 0.110 23.508 ( 0.320 -0.149 0.000) 0.353 23.508 ( 0.320 0.149 0.000) 0.353 23.521 ( -0.228 -0.400 0.000) 0.461 23.521 ( -0.228 0.400 0.000) 0.461 32.148 ( 0.307 -0.285 0.000) 0.419 32.148 ( 0.307 0.285 0.000) 0.419 32.157 ( -0.127 -0.386 0.000) 0.407 32.157 ( -0.127 0.386 0.000) 0.407 32.186 ( 0.484 -0.278 0.000) 0.559 32.186 ( 0.484 0.278 0.000) 0.559 32.199 ( -0.062 -0.292 0.000) 0.299 32.199 ( -0.062 0.292 0.000) 0.299 41.203 ( 5.924 -4.514 0.000) 7.448 41.203 ( 5.924 4.514 0.000) 7.448 41.315 ( -0.219 -10.212 0.000) 10.214 41.315 ( -0.219 10.212 0.000) 10.214 41.791 ( 4.270 -11.391 0.000) 12.165 41.791 ( 4.270 11.391 0.000) 12.165 42.064 ( -5.782 -7.377 0.000) 9.373 42.064 ( -5.782 7.377 0.000) 9.373 42.116 ( 0.503 -1.324 0.000) 1.416 42.116 ( 0.503 1.324 0.000) 1.416 42.199 ( -3.372 -2.225 0.000) 4.040 42.199 ( -3.372 2.225 0.000) 4.040 42.547 ( 0.966 -3.456 0.000) 3.588 42.547 ( 0.966 3.456 0.000) 3.588 42.632 ( -2.858 -3.655 0.000) 4.640 42.632 ( -2.858 3.655 0.000) 4.640 ======================= Grid point 27 (13/24) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -1.640 -2.020 0.000) 2.602 1.302 ( 1.640 -2.020 0.000) 2.602 1.302 ( -1.640 2.020 0.000) 2.602 1.302 ( 1.640 2.020 0.000) 2.602 1.511 ( -1.469 -2.758 0.000) 3.125 1.511 ( 1.469 -2.758 0.000) 3.125 1.511 ( -1.469 2.758 0.000) 3.125 1.511 ( 1.469 2.758 0.000) 3.125 1.942 ( -4.779 -6.523 0.000) 8.087 1.942 ( 4.779 -6.523 0.000) 8.087 1.942 ( -4.779 6.523 0.000) 8.087 1.942 ( 4.779 6.524 0.000) 8.087 2.261 ( -2.441 -2.850 0.000) 3.753 2.261 ( 2.441 -2.850 0.000) 3.753 2.261 ( -2.441 2.850 0.000) 3.753 2.261 ( 2.441 2.850 0.000) 3.753 2.529 ( -5.703 -3.272 0.000) 6.575 2.529 ( 5.703 -3.272 0.000) 6.575 2.529 ( -5.703 3.272 0.000) 6.575 2.529 ( 5.703 3.272 0.000) 6.575 2.852 ( -0.879 -7.347 0.000) 7.400 2.852 ( 0.879 -7.347 0.000) 7.400 2.852 ( -0.879 7.347 0.000) 7.400 2.852 ( 0.879 7.347 0.000) 7.400 3.245 ( -5.925 -10.265 0.000) 11.852 3.245 ( 5.925 -10.265 0.000) 11.852 3.245 ( -5.925 10.265 0.000) 11.852 3.245 ( 5.925 10.265 0.000) 11.852 3.699 ( -1.857 -7.028 0.000) 7.270 3.699 ( 1.857 -7.028 0.000) 7.270 3.699 ( -1.857 7.028 0.000) 7.270 3.699 ( 1.857 7.028 0.000) 7.270 4.076 ( -8.704 -5.325 0.000) 10.204 4.076 ( 8.704 -5.325 0.000) 10.204 4.076 ( -8.704 5.325 0.000) 10.204 4.076 ( 8.704 5.325 0.000) 10.204 4.280 ( -6.197 -4.980 0.000) 7.950 4.280 ( 6.197 -4.980 0.000) 7.950 4.280 ( -6.197 4.980 0.000) 7.950 4.280 ( 6.197 4.980 0.000) 7.950 4.467 ( -2.490 -11.566 0.000) 11.831 4.467 ( 2.490 -11.566 0.000) 11.831 4.467 ( -2.490 11.566 0.000) 11.831 4.467 ( 2.490 11.566 0.000) 11.831 4.880 ( -8.477 -7.648 0.000) 11.417 4.880 ( 8.477 -7.648 0.000) 11.417 4.880 ( -8.477 7.648 0.000) 11.417 4.880 ( 8.477 7.648 0.000) 11.417 5.172 ( -4.809 -3.152 0.000) 5.750 5.172 ( 4.809 -3.152 0.000) 5.750 5.172 ( -4.809 3.152 0.000) 5.750 5.172 ( 4.809 3.152 0.000) 5.750 5.346 ( -0.844 -7.676 0.000) 7.723 5.346 ( 0.844 -7.676 0.000) 7.723 5.346 ( -0.844 7.676 0.000) 7.723 5.346 ( 0.844 7.676 0.000) 7.723 5.632 ( -1.439 -2.166 0.000) 2.600 5.632 ( 1.439 -2.166 0.000) 2.600 5.632 ( -1.439 2.166 0.000) 2.600 5.632 ( 1.439 2.166 0.000) 2.600 21.321 ( -0.275 -0.411 0.000) 0.495 21.321 ( 0.275 -0.411 0.000) 0.495 21.321 ( -0.275 0.411 0.000) 0.495 21.321 ( 0.275 0.411 0.000) 0.495 21.416 ( -0.677 -0.279 0.000) 0.732 21.416 ( -0.677 0.279 0.000) 0.732 21.416 ( 0.677 -0.279 0.000) 0.732 21.416 ( 0.677 0.279 0.000) 0.732 21.445 ( -0.267 -0.743 0.000) 0.790 21.445 ( 0.267 -0.743 0.000) 0.790 21.445 ( -0.267 0.743 0.000) 0.790 21.445 ( 0.267 0.743 0.000) 0.790 21.636 ( -0.890 -1.147 0.000) 1.452 21.636 ( 0.890 -1.147 0.000) 1.452 21.636 ( -0.890 1.147 0.000) 1.452 21.636 ( 0.890 1.147 0.000) 1.452 23.462 ( -0.001 -0.073 0.000) 0.073 23.462 ( 0.001 -0.073 0.000) 0.073 23.462 ( -0.001 0.073 0.000) 0.073 23.462 ( 0.001 0.073 0.000) 0.073 23.515 ( -0.329 -0.278 0.000) 0.430 23.515 ( 0.329 -0.278 0.000) 0.430 23.515 ( -0.329 0.278 0.000) 0.430 23.515 ( 0.329 0.278 0.000) 0.430 32.154 ( -0.182 -0.379 0.000) 0.420 32.154 ( 0.182 -0.379 0.000) 0.420 32.154 ( -0.182 0.379 0.000) 0.420 32.154 ( 0.182 0.379 0.000) 0.420 32.195 ( -0.324 -0.337 0.000) 0.468 32.195 ( 0.324 -0.337 0.000) 0.468 32.195 ( -0.324 0.337 0.000) 0.468 32.195 ( 0.324 0.337 0.000) 0.468 41.291 ( -2.332 -6.861 0.000) 7.247 41.291 ( 2.332 -6.861 0.000) 7.247 41.291 ( -2.332 6.861 0.000) 7.247 41.291 ( 2.332 6.861 0.000) 7.247 41.920 ( -7.190 -7.150 0.000) 10.140 41.920 ( 7.190 -7.150 0.000) 10.140 41.920 ( -7.190 7.150 0.000) 10.140 41.920 ( 7.190 7.150 0.000) 10.140 42.140 ( -1.924 -0.266 0.000) 1.942 42.140 ( -1.924 0.266 0.000) 1.942 42.140 ( 1.924 -0.266 0.000) 1.942 42.140 ( 1.924 0.266 0.000) 1.942 42.579 ( -2.031 -3.764 0.000) 4.277 42.579 ( 2.031 -3.764 0.000) 4.277 42.579 ( -2.031 3.764 0.000) 4.277 42.579 ( 2.031 3.764 0.000) 4.277 ======================= Grid point 57 (14/24) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 10.348 10.348 10.348) 17.923 0.787 ( 10.348 10.348 10.348) 17.923 0.834 ( 12.241 12.241 12.241) 21.202 1.143 ( 1.205 1.205 1.205) 2.087 1.163 ( 1.560 1.560 1.560) 2.703 1.163 ( 1.560 1.560 1.560) 2.703 1.449 ( 7.244 7.244 7.244) 12.547 1.449 ( 7.244 7.244 7.244) 12.547 1.952 ( 1.429 1.429 1.429) 2.474 2.056 ( 0.848 0.848 0.848) 1.469 2.212 ( -1.794 -1.794 -1.794) 3.107 2.212 ( -1.794 -1.794 -1.794) 3.107 2.281 ( -2.833 -2.833 -2.833) 4.906 2.340 ( -3.499 -3.499 -3.499) 6.060 2.340 ( -3.499 -3.499 -3.499) 6.060 2.404 ( 1.259 1.259 1.259) 2.180 2.404 ( 1.259 1.259 1.259) 2.180 2.435 ( 0.591 0.591 0.591) 1.024 2.622 ( 0.678 0.678 0.678) 1.174 2.622 ( 0.678 0.678 0.678) 1.174 2.632 ( 4.372 4.372 4.372) 7.572 2.770 ( -2.737 -2.737 -2.737) 4.741 2.848 ( -3.685 -3.685 -3.685) 6.382 2.848 ( -3.685 -3.685 -3.685) 6.382 2.947 ( 1.917 1.917 1.917) 3.320 3.236 ( 0.770 0.770 0.770) 1.334 3.236 ( 0.770 0.770 0.770) 1.334 3.350 ( 2.389 2.389 2.389) 4.139 3.462 ( 0.097 0.097 0.097) 0.168 3.462 ( 0.097 0.097 0.097) 0.168 3.641 ( 5.685 5.685 5.685) 9.847 3.641 ( 5.685 5.685 5.685) 9.847 3.746 ( -0.042 -0.042 -0.042) 0.073 4.093 ( -0.825 -0.825 -0.825) 1.429 4.093 ( -0.825 -0.825 -0.825) 1.429 4.159 ( 2.263 2.263 2.263) 3.919 4.159 ( 2.263 2.263 2.263) 3.919 4.180 ( -4.152 -4.152 -4.152) 7.191 4.341 ( -3.121 -3.121 -3.121) 5.406 4.512 ( 0.328 0.328 0.328) 0.568 4.512 ( 0.328 0.328 0.328) 0.568 4.629 ( -2.966 -2.966 -2.966) 5.137 4.813 ( -0.876 -0.876 -0.876) 1.518 4.813 ( -0.876 -0.876 -0.876) 1.518 4.847 ( -2.649 -2.649 -2.649) 4.588 4.847 ( -2.649 -2.649 -2.649) 4.588 4.902 ( -1.955 -1.955 -1.955) 3.387 4.999 ( 0.196 0.196 0.196) 0.339 4.999 ( 0.196 0.196 0.196) 0.339 5.052 ( 0.763 0.763 0.763) 1.322 5.108 ( 0.577 0.577 0.577) 1.000 5.257 ( 1.375 1.375 1.375) 2.382 5.257 ( 1.375 1.375 1.375) 2.382 5.260 ( 0.106 0.106 0.106) 0.184 5.561 ( -2.184 -2.184 -2.184) 3.783 5.561 ( -2.184 -2.184 -2.184) 3.783 5.604 ( -0.798 -0.798 -0.798) 1.383 5.736 ( -1.621 -1.621 -1.621) 2.808 5.736 ( -1.621 -1.621 -1.621) 2.808 5.777 ( -1.732 -1.732 -1.732) 3.000 21.294 ( 0.319 0.319 0.319) 0.553 21.294 ( 0.319 0.319 0.319) 0.553 21.320 ( 0.381 0.381 0.381) 0.659 21.320 ( 0.381 0.381 0.381) 0.659 21.361 ( -0.070 -0.070 -0.070) 0.120 21.361 ( -0.070 -0.070 -0.070) 0.120 21.367 ( 0.078 0.078 0.078) 0.136 21.450 ( -0.011 -0.011 -0.011) 0.019 21.464 ( 0.039 0.039 0.039) 0.068 21.464 ( 0.039 0.039 0.039) 0.068 21.506 ( -0.251 -0.251 -0.251) 0.435 21.506 ( -0.251 -0.251 -0.251) 0.435 21.534 ( 0.593 0.593 0.593) 1.027 21.634 ( -0.250 -0.250 -0.250) 0.433 21.652 ( 0.155 0.155 0.155) 0.269 21.652 ( 0.155 0.155 0.155) 0.269 23.461 ( 0.014 0.014 0.014) 0.024 23.461 ( 0.014 0.014 0.014) 0.024 23.467 ( -0.085 -0.085 -0.085) 0.148 23.469 ( -0.110 -0.110 -0.110) 0.191 23.503 ( 0.124 0.124 0.124) 0.215 23.503 ( 0.124 0.124 0.124) 0.215 23.506 ( 0.147 0.147 0.147) 0.255 23.539 ( -0.202 -0.202 -0.202) 0.350 32.146 ( -0.066 -0.066 -0.066) 0.115 32.149 ( 0.045 0.045 0.045) 0.078 32.149 ( 0.045 0.045 0.045) 0.078 32.172 ( 0.032 0.032 0.032) 0.056 32.173 ( 0.230 0.230 0.230) 0.399 32.173 ( 0.230 0.230 0.230) 0.399 32.177 ( 0.318 0.318 0.318) 0.551 32.199 ( 0.171 0.171 0.171) 0.296 40.955 ( 3.709 3.709 3.709) 6.424 40.955 ( 3.709 3.709 3.709) 6.424 41.279 ( 2.647 2.647 2.647) 4.584 41.279 ( 2.647 2.647 2.647) 4.584 41.836 ( -3.513 -3.513 -3.513) 6.085 41.836 ( -3.513 -3.513 -3.513) 6.085 42.070 ( -0.798 -0.798 -0.798) 1.381 42.122 ( 1.074 1.074 1.074) 1.861 42.237 ( -2.181 -2.181 -2.181) 3.778 42.237 ( -2.181 -2.181 -2.181) 3.778 42.284 ( 1.065 1.065 1.065) 1.844 42.284 ( 1.065 1.065 1.065) 1.844 42.539 ( -1.537 -1.537 -1.537) 2.662 42.549 ( -1.089 -1.089 -1.089) 1.887 42.549 ( -1.089 -1.089 -1.089) 1.887 42.773 ( -1.035 -1.035 -1.035) 1.793 ======================= Grid point 58 (15/24) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 5.994 7.424 11.802) 15.177 0.966 ( 6.910 11.811 7.323) 15.520 1.106 ( -2.044 4.177 5.411) 7.135 1.155 ( 0.245 1.383 3.587) 3.852 1.295 ( 17.657 0.358 0.516) 17.669 1.335 ( 13.302 0.809 -2.435) 13.548 1.559 ( 6.884 1.403 5.479) 8.909 1.678 ( 8.088 2.922 -0.543) 8.617 1.944 ( -4.661 -1.721 -3.139) 5.877 2.043 ( -0.572 3.010 2.090) 3.709 2.074 ( -10.030 -3.776 -3.697) 11.337 2.134 ( -4.710 -4.405 0.368) 6.460 2.203 ( -1.996 -0.802 0.873) 2.322 2.262 ( -1.446 -1.278 -5.216) 5.561 2.300 ( -4.573 -0.666 1.809) 4.962 2.373 ( -1.268 3.671 6.191) 7.308 2.454 ( 0.578 1.629 -1.574) 2.338 2.511 ( 2.461 5.332 1.297) 6.014 2.589 ( -1.444 4.460 1.513) 4.926 2.646 ( 5.454 -0.133 0.034) 5.456 2.721 ( 1.200 5.310 -2.136) 5.848 2.780 ( 5.512 1.497 3.814) 6.868 2.834 ( 2.688 -10.389 0.706) 10.755 2.864 ( 1.237 -3.228 -5.607) 6.587 2.974 ( 0.622 -0.476 1.193) 1.427 3.128 ( -5.333 1.321 2.095) 5.880 3.215 ( -6.883 2.321 2.122) 7.567 3.303 ( -1.315 -1.070 0.730) 1.846 3.502 ( 5.163 6.416 -1.303) 8.338 3.648 ( -2.693 6.822 2.795) 7.849 3.678 ( 11.177 -5.180 0.999) 12.360 3.756 ( 6.010 3.549 4.742) 8.438 3.843 ( -0.133 -2.352 4.990) 5.518 3.947 ( -1.500 4.648 -2.196) 5.355 3.976 ( -6.335 6.692 2.806) 9.632 4.141 ( -3.268 -1.708 -0.998) 3.820 4.197 ( 0.222 -5.902 -1.455) 6.083 4.258 ( 3.677 1.124 4.056) 5.589 4.295 ( -2.277 2.569 1.363) 3.693 4.458 ( 0.296 -2.238 -0.063) 2.259 4.548 ( 1.435 -2.998 -8.235) 8.881 4.628 ( -3.733 -3.530 2.279) 5.621 4.685 ( -5.460 -4.376 -3.381) 7.771 4.752 ( -2.380 -4.025 -4.278) 6.338 4.801 ( 2.152 3.068 -2.477) 4.492 4.862 ( -0.730 -1.698 -4.072) 4.472 4.931 ( -0.440 -2.099 -0.681) 2.250 4.949 ( -1.989 2.220 0.014) 2.981 5.064 ( 1.400 3.253 -0.651) 3.600 5.076 ( 4.717 -2.683 1.542) 5.642 5.119 ( 1.340 -0.687 0.367) 1.550 5.217 ( -1.025 1.806 1.982) 2.870 5.281 ( 0.081 -2.750 2.823) 3.941 5.337 ( 4.010 1.127 -2.538) 4.877 5.447 ( -6.850 -2.185 0.176) 7.192 5.511 ( -3.335 0.165 -3.863) 5.106 5.625 ( 2.166 -3.024 -1.302) 3.941 5.684 ( -2.127 -1.050 -2.086) 3.159 5.705 ( -2.021 -1.575 -1.878) 3.177 5.731 ( -2.221 -2.297 -1.475) 3.519 21.299 ( 0.185 0.468 0.463) 0.684 21.305 ( 0.286 0.253 0.314) 0.494 21.316 ( 0.190 0.572 0.486) 0.774 21.338 ( 0.070 -0.227 -0.295) 0.379 21.361 ( 0.793 0.507 0.651) 1.144 21.371 ( 0.546 0.518 0.127) 0.763 21.375 ( 0.654 0.204 0.425) 0.806 21.416 ( -1.738 1.343 1.213) 2.509 21.472 ( -0.086 -0.700 -0.302) 0.768 21.478 ( 0.596 -0.424 -0.265) 0.778 21.488 ( -0.993 -0.185 -0.159) 1.022 21.499 ( -0.385 -0.259 -0.480) 0.667 21.560 ( 1.641 0.088 0.190) 1.654 21.623 ( -0.925 -0.078 0.041) 0.929 21.652 ( 0.338 -0.051 -0.429) 0.549 21.661 ( 0.248 -0.295 -0.234) 0.451 23.461 ( 0.046 -0.011 -0.001) 0.047 23.462 ( 0.069 -0.012 0.004) 0.070 23.465 ( -0.086 -0.070 -0.080) 0.137 23.467 ( -0.123 -0.072 -0.074) 0.161 23.504 ( 0.033 0.127 0.220) 0.256 23.505 ( 0.006 0.281 0.092) 0.295 23.513 ( 0.458 -0.052 0.023) 0.462 23.533 ( -0.380 -0.162 -0.156) 0.441 32.143 ( -0.068 0.242 0.209) 0.327 32.147 ( -0.122 0.024 0.320) 0.343 32.157 ( 0.451 0.218 -0.151) 0.524 32.172 ( -0.163 0.511 -0.029) 0.537 32.173 ( 0.065 0.155 0.174) 0.241 32.175 ( 0.017 -0.062 0.549) 0.553 32.190 ( 0.606 0.028 0.041) 0.608 32.202 ( 0.062 0.141 0.147) 0.213 41.024 ( 3.500 4.196 5.159) 7.515 41.083 ( 5.812 1.798 3.198) 6.873 41.246 ( -0.404 6.130 3.770) 7.208 41.464 ( 8.863 -0.522 -0.560) 8.896 41.621 ( -8.865 3.054 1.244) 9.459 41.892 ( 0.986 -6.299 -2.691) 6.920 42.034 ( -3.759 0.797 -1.316) 4.062 42.089 ( -5.021 -2.506 1.607) 5.837 42.150 ( 1.139 1.145 0.211) 1.629 42.240 ( -0.546 -2.630 -4.609) 5.335 42.273 ( -0.089 2.062 -0.226) 2.076 42.314 ( -0.642 0.372 -1.297) 1.495 42.477 ( -1.027 -0.437 -1.079) 1.552 42.517 ( -1.371 -5.058 1.193) 5.374 42.606 ( 3.042 -1.825 -4.194) 5.493 42.733 ( -2.542 -1.428 -1.565) 3.309 ======================= Grid point 59 (16/24) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -3.952 5.721 8.466) 10.956 1.025 ( 3.952 5.721 8.466) 10.956 1.101 ( -4.224 5.954 5.058) 8.882 1.101 ( 4.224 5.954 5.058) 8.882 1.556 ( -7.338 -2.143 -1.809) 7.856 1.556 ( 7.338 -2.143 -1.809) 7.856 1.715 ( -10.241 -0.104 -1.037) 10.294 1.715 ( 10.241 -0.104 -1.037) 10.294 1.853 ( -3.426 -4.809 -5.095) 7.799 1.853 ( 3.426 -4.809 -5.095) 7.799 2.067 ( -3.794 3.610 2.635) 5.862 2.067 ( 3.794 3.610 2.635) 5.862 2.208 ( -3.418 -0.519 3.581) 4.978 2.208 ( 3.418 -0.519 3.581) 4.978 2.286 ( -3.719 0.019 -1.296) 3.939 2.286 ( 3.720 0.019 -1.296) 3.939 2.497 ( -2.942 4.830 1.621) 5.883 2.497 ( 2.942 4.830 1.621) 5.883 2.659 ( -5.064 6.311 0.173) 8.094 2.659 ( 5.064 6.311 0.173) 8.094 2.802 ( -4.138 -1.819 1.319) 4.708 2.802 ( 4.138 -1.819 1.319) 4.708 2.890 ( -1.516 -2.962 -2.459) 4.137 2.890 ( 1.516 -2.962 -2.459) 4.137 2.999 ( -4.754 -0.580 4.672) 6.691 2.999 ( 4.754 -0.580 4.672) 6.691 3.215 ( -5.933 -0.884 -1.967) 6.313 3.215 ( 5.934 -0.884 -1.967) 6.313 3.610 ( -3.214 2.831 2.973) 5.213 3.610 ( 3.214 2.831 2.973) 5.213 3.747 ( -1.564 4.961 -0.882) 5.276 3.747 ( 1.564 4.961 -0.882) 5.276 3.917 ( -7.110 2.194 8.181) 11.059 3.917 ( 7.110 2.194 8.181) 11.059 4.019 ( -6.800 -0.078 -1.016) 6.876 4.019 ( 6.800 -0.078 -1.016) 6.876 4.223 ( -3.584 1.461 -0.402) 3.891 4.223 ( 3.584 1.461 -0.402) 3.891 4.392 ( -8.702 -2.152 3.569) 9.649 4.392 ( 8.702 -2.152 3.569) 9.649 4.545 ( -2.323 -5.503 -5.570) 8.167 4.545 ( 2.323 -5.503 -5.570) 8.167 4.699 ( -3.247 -3.801 -4.036) 6.425 4.699 ( 3.247 -3.801 -4.036) 6.425 4.859 ( -1.036 0.419 -4.195) 4.342 4.859 ( 1.036 0.419 -4.195) 4.342 4.899 ( -0.710 1.300 -0.345) 1.521 4.899 ( 0.710 1.300 -0.345) 1.521 5.095 ( -2.387 3.582 1.538) 4.571 5.095 ( 2.387 3.582 1.538) 4.571 5.218 ( -4.973 -4.533 1.224) 6.840 5.218 ( 4.973 -4.533 1.224) 6.840 5.292 ( -5.746 -1.806 1.018) 6.108 5.292 ( 5.746 -1.806 1.018) 6.108 5.430 ( -4.110 0.903 -3.386) 5.401 5.430 ( 4.110 0.903 -3.386) 5.401 5.667 ( -0.551 -1.150 -2.027) 2.395 5.667 ( 0.551 -1.150 -2.027) 2.395 5.681 ( -2.226 -2.798 -1.450) 3.858 5.681 ( 2.226 -2.798 -1.450) 3.858 21.303 ( -0.215 0.505 0.546) 0.774 21.303 ( 0.215 0.505 0.546) 0.774 21.329 ( -0.697 0.110 -0.014) 0.706 21.329 ( 0.697 0.110 -0.014) 0.706 21.379 ( -0.446 0.643 0.688) 1.042 21.379 ( 0.446 0.643 0.688) 1.042 21.387 ( -0.688 0.839 0.661) 1.271 21.387 ( 0.688 0.839 0.661) 1.271 21.469 ( -0.308 -0.413 -0.104) 0.526 21.469 ( 0.308 -0.413 -0.104) 0.526 21.491 ( -0.429 -0.491 -0.431) 0.781 21.491 ( 0.429 -0.491 -0.431) 0.781 21.596 ( -1.556 0.026 0.119) 1.561 21.596 ( 1.556 0.026 0.119) 1.561 21.660 ( -0.304 -0.316 -0.553) 0.706 21.660 ( 0.304 -0.316 -0.553) 0.706 23.462 ( -0.054 -0.067 -0.009) 0.086 23.462 ( 0.054 -0.067 -0.009) 0.086 23.464 ( -0.086 -0.012 -0.057) 0.104 23.464 ( 0.086 -0.012 -0.057) 0.104 23.505 ( -0.025 0.203 0.158) 0.258 23.505 ( 0.025 0.203 0.158) 0.258 23.523 ( -0.483 -0.109 -0.076) 0.501 23.523 ( 0.483 -0.109 -0.076) 0.501 32.144 ( -0.125 0.209 0.318) 0.400 32.144 ( 0.125 0.209 0.318) 0.400 32.166 ( -0.373 0.430 -0.059) 0.572 32.166 ( 0.373 0.430 -0.059) 0.572 32.175 ( -0.065 -0.033 0.331) 0.339 32.175 ( 0.065 -0.033 0.331) 0.339 32.200 ( -0.273 0.073 0.093) 0.298 32.200 ( 0.273 0.073 0.093) 0.298 41.098 ( -2.985 3.103 5.504) 6.988 41.098 ( 2.985 3.103 5.504) 6.988 41.362 ( -9.714 3.827 0.237) 10.444 41.362 ( 9.714 3.827 0.237) 10.444 41.745 ( -11.662 0.428 1.063) 11.719 41.745 ( 11.662 0.428 1.063) 11.719 42.029 ( -2.445 -3.876 -0.199) 4.587 42.029 ( 2.445 -3.876 -0.199) 4.587 42.195 ( -2.843 -0.151 -2.084) 3.528 42.195 ( 2.843 -0.151 -2.084) 3.528 42.287 ( -1.161 1.723 -2.477) 3.233 42.287 ( 1.161 1.723 -2.477) 3.233 42.487 ( -1.275 -3.715 0.140) 3.930 42.487 ( 1.275 -3.715 0.140) 3.930 42.672 ( -3.054 -1.939 -2.787) 4.567 42.672 ( 3.054 -1.939 -2.787) 4.567 ======================= Grid point 65 (17/24) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 6.264 7.111 8.183) 12.521 1.181 ( 4.829 3.891 2.618) 6.732 1.217 ( 1.423 7.799 1.382) 8.047 1.264 ( 1.100 6.315 1.473) 6.577 1.281 ( 8.862 -0.698 1.035) 8.950 1.421 ( 9.937 7.843 3.764) 13.207 1.607 ( 0.461 5.723 1.613) 5.964 1.711 ( 0.811 -3.463 -6.296) 7.231 1.837 ( -6.232 -8.114 -1.660) 10.364 1.985 ( -8.089 -1.755 -2.586) 8.672 2.015 ( -0.490 -5.516 1.020) 5.631 2.139 ( 0.143 0.474 0.404) 0.639 2.185 ( 0.673 1.867 2.900) 3.514 2.217 ( 0.075 0.010 1.432) 1.434 2.378 ( -1.712 3.818 0.550) 4.220 2.404 ( 1.140 -1.230 7.152) 7.346 2.485 ( -0.118 0.674 2.263) 2.364 2.565 ( 2.543 -10.525 2.951) 11.223 2.586 ( 6.155 3.207 3.068) 7.588 2.681 ( -1.519 5.258 2.897) 6.192 2.729 ( 3.144 4.175 4.099) 6.642 2.771 ( -0.220 -0.505 -2.406) 2.468 2.825 ( 0.535 1.339 -4.033) 4.283 2.901 ( 2.376 1.272 1.396) 3.035 2.998 ( 3.146 6.492 -1.561) 7.381 3.085 ( -3.665 -0.993 1.966) 4.276 3.220 ( -1.163 -1.971 -2.429) 3.337 3.365 ( -2.420 -1.644 -1.338) 3.218 3.540 ( 5.488 0.622 -1.696) 5.778 3.642 ( -0.731 -1.651 -1.330) 2.242 3.712 ( 3.757 6.077 -4.109) 8.242 3.885 ( 2.136 4.959 6.904) 8.765 3.902 ( 0.518 -1.942 0.356) 2.041 3.946 ( -0.038 -1.299 4.478) 4.663 4.027 ( 8.330 3.099 1.680) 9.045 4.115 ( -4.231 4.689 1.182) 6.425 4.176 ( 2.427 -6.310 -2.664) 7.267 4.253 ( -5.997 7.895 -0.469) 9.925 4.360 ( 1.020 1.897 -0.022) 2.154 4.428 ( -1.940 -6.272 -2.892) 7.174 4.461 ( 1.491 -4.416 1.401) 4.867 4.549 ( -6.844 -1.037 3.408) 7.715 4.614 ( -6.840 -0.959 -3.446) 7.719 4.648 ( -0.369 -4.333 -0.598) 4.390 4.787 ( -1.817 -4.951 -3.918) 6.570 4.834 ( 4.694 -0.381 0.954) 4.805 4.919 ( 0.044 -1.840 -0.896) 2.047 5.012 ( 0.076 4.095 1.836) 4.489 5.031 ( 1.468 -1.571 -2.764) 3.502 5.097 ( 0.678 1.918 -2.581) 3.286 5.146 ( 1.877 2.625 -1.059) 3.396 5.225 ( -1.300 -0.854 2.148) 2.652 5.263 ( -2.966 2.379 1.273) 4.010 5.347 ( 0.006 -1.677 -2.867) 3.321 5.397 ( -3.036 -1.720 -0.165) 3.493 5.463 ( -0.154 -5.321 -2.244) 5.777 5.596 ( -0.954 1.289 -2.208) 2.729 5.637 ( -1.904 -2.634 -1.032) 3.410 5.661 ( -1.884 -2.178 -1.795) 3.393 5.688 ( -2.237 -1.787 -2.264) 3.650 21.311 ( 0.434 0.477 0.321) 0.720 21.312 ( 0.355 0.406 0.369) 0.653 21.323 ( 0.168 0.078 0.626) 0.653 21.336 ( -0.106 -0.180 -0.121) 0.242 21.377 ( 1.010 1.134 0.807) 1.720 21.385 ( 1.148 0.857 0.463) 1.506 21.389 ( 0.887 0.923 0.330) 1.322 21.439 ( 0.064 -0.392 1.114) 1.183 21.451 ( -0.612 0.008 0.423) 0.744 21.470 ( -0.673 -0.408 0.177) 0.807 21.481 ( -0.676 -0.630 -0.190) 0.944 21.484 ( -0.726 -0.869 -0.074) 1.135 21.575 ( 1.168 1.219 -0.759) 1.851 21.624 ( -0.293 -0.042 -0.733) 0.791 21.642 ( -0.226 -0.620 -0.218) 0.695 21.655 ( -0.317 -0.347 -0.799) 0.927 23.461 ( 0.014 0.026 0.012) 0.032 23.462 ( 0.005 0.035 0.006) 0.036 23.464 ( -0.039 -0.062 -0.073) 0.103 23.465 ( -0.083 -0.091 -0.032) 0.127 23.507 ( 0.129 0.128 0.193) 0.266 23.511 ( 0.306 0.017 0.027) 0.308 23.513 ( 0.000 0.270 0.014) 0.271 23.528 ( -0.307 -0.298 -0.120) 0.444 32.147 ( 0.171 0.174 0.229) 0.335 32.151 ( 0.020 0.298 0.391) 0.492 32.159 ( 0.360 -0.000 0.280) 0.456 32.170 ( -0.124 -0.233 0.557) 0.616 32.177 ( 0.233 0.305 -0.100) 0.397 32.187 ( 0.204 0.359 -0.120) 0.430 32.191 ( 0.252 0.208 -0.001) 0.327 32.204 ( -0.011 -0.004 0.127) 0.128 41.145 ( 4.335 5.723 3.535) 8.002 41.153 ( 3.853 5.330 3.758) 7.575 41.325 ( 2.825 -0.064 4.621) 5.417 41.477 ( 0.659 -0.234 -2.314) 2.418 41.643 ( 2.510 1.273 5.174) 5.890 41.852 ( -0.787 3.214 -4.846) 5.868 42.006 ( -1.413 -3.923 1.739) 4.518 42.088 ( -7.398 1.571 -1.302) 7.675 42.135 ( 2.392 -5.083 -2.358) 6.093 42.163 ( -0.135 -0.548 0.845) 1.016 42.263 ( -1.040 -3.628 -0.113) 3.775 42.270 ( -2.455 -2.942 0.921) 3.941 42.459 ( -0.301 0.532 -1.459) 1.582 42.515 ( -2.914 3.208 -2.887) 5.207 42.560 ( 1.850 -2.219 -4.327) 5.202 42.681 ( -3.038 -3.271 -2.147) 4.954 ======================= Grid point 66 (18/24) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -3.416 8.539 4.053) 10.051 1.186 ( 3.416 8.539 4.053) 10.051 1.237 ( -1.732 6.466 3.270) 7.450 1.237 ( 1.732 6.466 3.270) 7.450 1.509 ( -9.491 -2.966 -2.863) 10.348 1.509 ( 9.491 -2.966 -2.863) 10.348 1.670 ( -9.304 -7.170 0.871) 11.779 1.670 ( 9.304 -7.170 0.871) 11.779 1.787 ( -7.169 3.336 -3.382) 8.600 1.787 ( 7.169 3.336 -3.382) 8.600 2.079 ( -4.496 -5.161 1.723) 7.059 2.079 ( 4.496 -5.161 1.723) 7.059 2.223 ( -0.878 5.571 3.518) 6.647 2.223 ( 0.878 5.571 3.518) 6.647 2.351 ( -3.535 3.711 3.391) 6.145 2.351 ( 3.535 3.711 3.391) 6.145 2.575 ( -5.496 0.184 3.502) 6.519 2.575 ( 5.496 0.184 3.502) 6.519 2.659 ( -5.589 -6.836 2.829) 9.272 2.659 ( 5.589 -6.836 2.829) 9.272 2.743 ( -4.106 1.550 1.609) 4.674 2.743 ( 4.106 1.550 1.609) 4.674 2.924 ( -3.217 2.544 -0.822) 4.182 2.924 ( 3.217 2.544 -0.822) 4.182 3.030 ( -1.101 4.806 1.318) 5.103 3.030 ( 1.101 4.806 1.318) 5.103 3.241 ( -5.381 2.070 -7.908) 9.787 3.241 ( 5.381 2.070 -7.908) 9.787 3.623 ( -2.152 -0.865 1.437) 2.728 3.623 ( 2.152 -0.865 1.437) 2.728 3.820 ( -5.099 -1.133 -2.103) 5.631 3.820 ( 5.099 -1.133 -2.103) 5.631 3.972 ( -4.889 2.941 3.032) 6.460 3.972 ( 4.889 2.941 3.032) 6.460 4.068 ( -4.985 4.637 0.949) 6.874 4.068 ( 4.985 4.637 0.949) 6.874 4.229 ( -5.812 2.415 -1.612) 6.497 4.229 ( 5.812 2.415 -1.612) 6.497 4.336 ( -7.681 -3.192 4.479) 9.447 4.336 ( 7.681 -3.192 4.479) 9.447 4.462 ( -2.764 -4.407 0.199) 5.206 4.462 ( 2.764 -4.407 0.199) 5.206 4.616 ( -5.261 -2.466 -3.114) 6.593 4.616 ( 5.261 -2.466 -3.114) 6.593 4.819 ( -5.247 -2.054 0.498) 5.656 4.819 ( 5.247 -2.054 0.498) 5.656 4.973 ( -3.683 1.904 -2.483) 4.833 4.973 ( 3.683 1.904 -2.483) 4.833 5.093 ( -2.270 -2.389 -0.930) 3.424 5.093 ( 2.271 -2.389 -0.930) 3.424 5.193 ( -2.042 2.023 -0.344) 2.895 5.193 ( 2.042 2.023 -0.344) 2.895 5.246 ( -4.105 -0.883 0.958) 4.307 5.246 ( 4.105 -0.883 0.958) 4.307 5.436 ( -2.490 -1.752 -3.076) 4.328 5.436 ( 2.490 -1.752 -3.076) 4.328 5.602 ( -1.366 -2.142 -0.999) 2.730 5.602 ( 1.366 -2.142 -0.999) 2.730 5.649 ( -0.997 -1.534 -2.141) 2.816 5.649 ( 0.997 -1.534 -2.141) 2.816 21.315 ( -0.096 0.573 0.448) 0.734 21.315 ( 0.096 0.573 0.448) 0.734 21.330 ( -0.417 -0.069 0.203) 0.469 21.330 ( 0.417 -0.069 0.203) 0.469 21.400 ( -0.503 1.215 0.499) 1.406 21.400 ( 0.503 1.215 0.499) 1.406 21.411 ( -1.311 1.224 0.884) 1.999 21.411 ( 1.311 1.224 0.884) 1.999 21.457 ( -0.295 -0.687 0.389) 0.843 21.457 ( 0.295 -0.687 0.389) 0.843 21.472 ( -0.407 -1.205 0.070) 1.274 21.472 ( 0.407 -1.205 0.070) 1.274 21.604 ( -1.333 0.725 -0.713) 1.676 21.604 ( 1.333 0.725 -0.713) 1.676 21.647 ( -0.442 -0.920 -0.903) 1.363 21.647 ( 0.442 -0.920 -0.903) 1.363 23.462 ( -0.019 0.004 0.008) 0.021 23.462 ( 0.019 0.004 0.008) 0.021 23.464 ( -0.048 -0.054 -0.034) 0.080 23.464 ( 0.048 -0.054 -0.034) 0.080 23.510 ( -0.142 0.259 0.083) 0.307 23.510 ( 0.142 0.259 0.083) 0.307 23.520 ( -0.400 -0.195 -0.044) 0.447 23.520 ( 0.400 -0.195 -0.044) 0.447 32.150 ( -0.121 0.378 0.371) 0.544 32.150 ( 0.121 0.378 0.371) 0.544 32.166 ( -0.260 -0.292 0.450) 0.596 32.166 ( 0.260 -0.292 0.450) 0.596 32.183 ( -0.306 0.628 -0.155) 0.716 32.183 ( 0.306 0.628 -0.155) 0.716 32.200 ( -0.351 -0.093 0.047) 0.366 32.200 ( 0.351 -0.093 0.047) 0.366 41.195 ( -0.923 5.790 4.524) 7.406 41.195 ( 0.923 5.790 4.524) 7.406 41.410 ( -5.288 -0.873 1.021) 5.456 41.410 ( 5.288 -0.873 1.021) 5.456 41.781 ( -7.508 4.113 0.888) 8.607 41.781 ( 7.508 4.113 0.888) 8.607 41.984 ( -0.466 -1.030 -0.514) 1.242 41.984 ( 0.466 -1.030 -0.514) 1.242 42.169 ( -0.179 -1.827 -0.916) 2.052 42.169 ( 0.179 -1.827 -0.916) 2.052 42.239 ( -0.437 -5.785 0.297) 5.809 42.239 ( 0.437 -5.785 0.297) 5.809 42.469 ( -1.264 2.346 -2.482) 3.642 42.469 ( 1.264 2.346 -2.482) 3.642 42.614 ( -3.019 -3.297 -3.406) 5.620 42.614 ( 3.019 -3.297 -3.406) 5.620 ======================= Grid point 74 (19/24) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 7.492 -3.502 1.963) 8.500 1.206 ( 7.492 3.502 1.963) 8.500 1.246 ( 7.457 -0.860 4.072) 8.540 1.246 ( 7.457 0.860 4.072) 8.540 1.501 ( -2.739 -12.130 -2.459) 12.676 1.501 ( -2.739 12.130 -2.459) 12.676 1.635 ( -6.763 -9.235 0.502) 11.457 1.635 ( -6.763 9.235 0.502) 11.457 1.821 ( 2.758 -10.289 -3.039) 11.078 1.821 ( 2.758 10.289 -3.039) 11.078 2.051 ( -4.135 -4.894 2.443) 6.857 2.051 ( -4.135 4.894 2.443) 6.857 2.268 ( 3.672 -1.780 2.540) 4.807 2.268 ( 3.672 1.780 2.540) 4.807 2.357 ( 5.541 -5.864 2.458) 8.434 2.357 ( 5.541 5.864 2.458) 8.434 2.478 ( -2.487 -2.544 5.872) 6.865 2.478 ( -2.487 2.544 5.872) 6.865 2.669 ( -2.145 -3.913 5.237) 6.881 2.669 ( -2.145 3.913 5.237) 6.881 2.815 ( 1.147 -4.375 -0.704) 4.578 2.815 ( 1.147 4.375 -0.704) 4.578 2.853 ( 0.667 -3.217 0.212) 3.292 2.853 ( 0.667 3.217 0.212) 3.292 3.107 ( 4.110 -5.758 -0.985) 7.142 3.107 ( 4.110 5.758 -0.985) 7.142 3.224 ( 1.572 -7.723 -7.215) 10.685 3.224 ( 1.572 7.723 -7.215) 10.685 3.652 ( 0.561 -5.342 -1.144) 5.492 3.652 ( 0.561 5.342 -1.144) 5.492 3.718 ( -0.861 -6.198 3.375) 7.110 3.718 ( -0.861 6.198 3.375) 7.110 4.013 ( 2.012 -6.609 0.999) 6.980 4.013 ( 2.012 6.609 0.999) 6.980 4.075 ( 3.786 -7.431 0.342) 8.347 4.075 ( 3.786 7.431 0.342) 8.347 4.266 ( 4.737 -8.351 0.239) 9.604 4.266 ( 4.737 8.351 0.239) 9.604 4.376 ( -6.103 -1.907 2.656) 6.924 4.376 ( -6.103 1.907 2.656) 6.924 4.435 ( -4.038 -4.489 -5.311) 8.042 4.435 ( -4.038 4.489 -5.311) 8.042 4.618 ( -3.944 -2.206 0.679) 4.570 4.618 ( -3.944 2.206 0.679) 4.570 4.767 ( 0.457 -4.742 3.080) 5.673 4.767 ( 0.457 4.742 3.080) 5.673 4.947 ( 1.789 -4.425 -2.792) 5.529 4.947 ( 1.789 4.425 -2.792) 5.529 5.106 ( -0.107 -3.884 1.750) 4.261 5.106 ( -0.107 3.884 1.750) 4.261 5.216 ( -2.204 -4.737 -4.473) 6.877 5.216 ( -2.204 4.737 -4.473) 6.877 5.315 ( 1.010 -1.770 -1.640) 2.615 5.315 ( 1.010 1.770 -1.640) 2.615 5.360 ( -2.010 -1.049 0.570) 2.338 5.360 ( -2.010 1.049 0.570) 2.338 5.620 ( -1.752 -1.017 -1.003) 2.260 5.620 ( -1.752 1.017 -1.003) 2.260 5.644 ( -1.929 -2.327 -2.670) 4.033 5.644 ( -1.929 2.327 -2.670) 4.033 21.316 ( 0.594 -0.129 0.406) 0.731 21.316 ( 0.594 0.129 0.406) 0.731 21.328 ( -0.061 -0.456 0.281) 0.539 21.328 ( -0.061 0.456 0.281) 0.539 21.398 ( 1.131 -0.287 0.617) 1.320 21.398 ( 1.131 0.287 0.617) 1.320 21.410 ( 1.287 -1.355 0.893) 2.072 21.410 ( 1.287 1.355 0.893) 2.072 21.462 ( -0.625 -0.526 0.033) 0.818 21.462 ( -0.625 0.526 0.033) 0.818 21.472 ( -1.327 -0.575 0.200) 1.460 21.472 ( -1.327 0.575 0.200) 1.460 21.605 ( 0.744 -1.417 -0.824) 1.800 21.605 ( 0.744 1.417 -0.824) 1.800 21.645 ( -0.889 -0.578 -0.733) 1.289 21.645 ( -0.889 0.578 -0.733) 1.289 23.462 ( -0.003 -0.059 -0.032) 0.067 23.462 ( -0.003 0.059 -0.032) 0.067 23.463 ( -0.051 -0.087 -0.001) 0.101 23.463 ( -0.051 0.087 -0.001) 0.101 23.509 ( 0.263 -0.107 0.114) 0.306 23.509 ( 0.263 0.107 0.114) 0.306 23.521 ( -0.196 -0.372 -0.069) 0.426 23.521 ( -0.196 0.372 -0.069) 0.426 32.151 ( 0.375 -0.214 0.282) 0.516 32.151 ( 0.375 0.214 0.282) 0.516 32.164 ( -0.175 -0.355 0.574) 0.697 32.164 ( -0.175 0.355 0.574) 0.697 32.184 ( 0.522 -0.307 -0.180) 0.632 32.184 ( 0.522 0.307 -0.180) 0.632 32.200 ( -0.101 -0.352 0.037) 0.368 32.200 ( -0.101 0.352 0.037) 0.368 41.230 ( 5.966 -2.392 2.596) 6.932 41.230 ( 5.966 2.392 2.596) 6.932 41.361 ( -0.598 -6.912 3.651) 7.840 41.361 ( -0.598 6.912 3.651) 7.840 41.797 ( 4.064 -9.560 0.463) 10.398 41.797 ( 4.064 9.560 0.463) 10.398 42.011 ( -2.301 -5.492 -2.924) 6.634 42.011 ( -2.301 5.492 -2.924) 6.634 42.143 ( -1.822 -1.904 0.848) 2.768 42.143 ( -1.822 1.904 0.848) 2.768 42.218 ( -3.643 -0.954 1.525) 4.063 42.218 ( -3.643 0.954 1.525) 4.063 42.500 ( 1.160 -2.510 -3.984) 4.849 42.500 ( 1.160 2.510 -3.984) 4.849 42.602 ( -3.389 -3.952 -2.762) 5.893 42.602 ( -3.389 3.952 -2.762) 5.893 ======================= Grid point 76 (20/24) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -1.714 -2.127 1.333) 3.040 1.325 ( 0.395 -1.957 1.333) 2.401 1.325 ( -0.395 1.957 1.333) 2.401 1.325 ( 1.714 2.127 1.333) 3.040 1.497 ( -4.171 -5.815 -1.454) 7.302 1.497 ( 3.820 -5.754 -1.454) 7.058 1.497 ( -3.820 5.754 -1.454) 7.058 1.497 ( 4.171 5.815 -1.454) 7.302 1.928 ( -5.866 -7.848 1.123) 9.862 1.928 ( 4.070 -7.558 1.123) 8.657 1.928 ( -4.070 7.558 1.123) 8.657 1.928 ( 5.866 7.848 1.123) 9.862 2.359 ( -3.176 -4.564 6.051) 8.217 2.359 ( 0.523 -4.286 6.051) 7.434 2.359 ( -0.523 4.286 6.051) 7.434 2.359 ( 3.176 4.564 6.051) 8.217 2.545 ( -7.140 -1.539 2.221) 7.634 2.545 ( -6.539 0.560 2.221) 6.929 2.545 ( 6.539 -0.560 2.221) 6.929 2.545 ( 7.140 1.539 2.221) 7.634 2.859 ( -0.876 -6.412 0.808) 6.522 2.859 ( 0.763 -6.408 0.808) 6.504 2.859 ( -0.763 6.408 0.808) 6.504 2.859 ( 0.876 6.412 0.808) 6.522 3.196 ( -4.002 -6.890 -4.595) 9.199 3.196 ( 4.001 -6.890 -4.595) 9.198 3.196 ( -4.001 6.890 -4.595) 9.198 3.196 ( 4.002 6.890 -4.595) 9.199 3.684 ( -2.405 -7.058 -0.687) 7.488 3.684 ( 2.387 -7.057 -0.687) 7.481 3.684 ( -2.387 7.057 -0.687) 7.481 3.684 ( 2.405 7.058 -0.687) 7.488 4.084 ( -2.828 -5.064 -1.187) 5.921 4.084 ( 2.107 -4.976 -1.187) 5.532 4.084 ( -2.107 4.976 -1.187) 5.532 4.084 ( 2.828 5.064 -1.187) 5.921 4.293 ( -0.937 -6.057 2.621) 6.666 4.293 ( 0.782 -6.051 2.621) 6.641 4.293 ( -0.782 6.051 2.621) 6.641 4.293 ( 0.937 6.057 2.621) 6.666 4.475 ( -7.041 -8.989 0.617) 11.434 4.475 ( 5.591 -8.730 0.617) 10.385 4.475 ( -5.591 8.730 0.617) 10.385 4.475 ( 7.041 8.989 0.617) 11.434 4.887 ( -6.829 -6.465 0.663) 9.427 4.887 ( 6.815 -6.461 0.663) 9.414 4.887 ( -6.815 6.461 0.663) 9.414 4.887 ( 6.829 6.465 0.663) 9.427 5.143 ( -3.321 -4.073 -2.447) 5.797 5.143 ( 2.357 -3.902 -2.447) 5.173 5.143 ( -2.357 3.902 -2.447) 5.173 5.143 ( 3.321 4.073 -2.447) 5.797 5.336 ( -0.432 -6.166 -1.075) 6.274 5.336 ( 0.312 -6.164 -1.075) 6.265 5.336 ( -0.312 6.164 -1.075) 6.265 5.336 ( 0.432 6.166 -1.075) 6.274 5.610 ( -0.826 -1.843 -1.772) 2.686 5.610 ( 0.793 -1.839 -1.772) 2.674 5.610 ( -0.793 1.839 -1.772) 2.674 5.610 ( 0.826 1.843 -1.772) 2.686 21.325 ( -0.214 -0.352 0.357) 0.545 21.325 ( 0.114 -0.341 0.357) 0.506 21.325 ( -0.114 0.341 0.357) 0.506 21.325 ( 0.214 0.352 0.357) 0.545 21.425 ( -0.719 -0.621 0.815) 1.252 21.425 ( -0.037 -0.507 0.815) 0.961 21.425 ( 0.037 0.507 0.815) 0.961 21.425 ( 0.719 0.621 0.815) 1.252 21.448 ( -0.364 -0.610 0.297) 0.770 21.448 ( 0.236 -0.594 0.297) 0.705 21.448 ( -0.236 0.594 0.297) 0.705 21.448 ( 0.364 0.610 0.297) 0.770 21.624 ( -0.935 -1.116 -1.034) 1.786 21.624 ( 0.713 -1.074 -1.034) 1.653 21.624 ( -0.713 1.074 -1.034) 1.653 21.624 ( 0.935 1.116 -1.034) 1.786 23.462 ( -0.023 -0.059 -0.006) 0.064 23.462 ( 0.023 -0.059 -0.006) 0.064 23.462 ( -0.023 0.059 -0.006) 0.064 23.462 ( 0.023 0.059 -0.006) 0.064 23.515 ( -0.277 -0.245 0.012) 0.370 23.515 ( 0.269 -0.243 0.012) 0.363 23.515 ( -0.269 0.243 0.012) 0.363 23.515 ( 0.277 0.245 0.012) 0.370 32.159 ( -0.253 -0.395 0.434) 0.639 32.159 ( 0.141 -0.381 0.434) 0.594 32.159 ( -0.141 0.381 0.434) 0.594 32.159 ( 0.253 0.395 0.434) 0.639 32.195 ( -0.397 -0.414 -0.066) 0.577 32.195 ( 0.357 -0.405 -0.066) 0.544 32.195 ( -0.357 0.405 -0.066) 0.544 32.195 ( 0.397 0.414 -0.066) 0.577 41.326 ( -2.107 -5.826 2.995) 6.881 41.326 ( 1.140 -5.758 2.995) 6.590 41.326 ( -1.140 5.758 2.995) 6.590 41.326 ( 2.107 5.826 2.995) 6.881 41.912 ( -5.575 -6.284 -0.623) 8.423 41.912 ( 3.167 -5.850 -0.623) 6.682 41.912 ( -3.167 5.850 -0.623) 6.682 41.912 ( 5.575 6.284 -0.623) 8.423 42.151 ( -2.134 -1.334 0.992) 2.705 42.151 ( 0.183 -0.806 0.992) 1.291 42.151 ( -0.183 0.806 0.992) 1.291 42.151 ( 2.134 1.334 0.992) 2.705 42.539 ( -2.397 -3.647 -3.657) 5.694 42.539 ( 2.304 -3.632 -3.657) 5.646 42.539 ( -2.304 3.632 -3.657) 5.646 42.539 ( 2.397 3.647 -3.657) 5.694 ======================= Grid point 114 (21/24) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 2.860 2.860 2.860) 4.954 1.214 ( 2.860 2.860 2.860) 4.954 1.300 ( 3.981 3.981 3.981) 6.896 1.325 ( 2.854 2.854 2.854) 4.943 1.325 ( 2.854 2.854 2.854) 4.943 1.531 ( 6.461 6.461 6.461) 11.190 1.590 ( -4.198 -4.198 -4.198) 7.271 1.590 ( -4.198 -4.198 -4.198) 7.271 1.784 ( -2.125 -2.125 -2.125) 3.681 2.001 ( 0.836 0.836 0.836) 1.448 2.001 ( 0.836 0.836 0.836) 1.448 2.116 ( -0.695 -0.695 -0.695) 1.205 2.269 ( 5.045 5.045 5.045) 8.738 2.337 ( 1.416 1.416 1.416) 2.453 2.337 ( 1.416 1.416 1.416) 2.453 2.477 ( 0.173 0.173 0.173) 0.300 2.586 ( -2.267 -2.267 -2.267) 3.927 2.638 ( 2.247 2.247 2.247) 3.892 2.638 ( 2.247 2.247 2.247) 3.892 2.704 ( 2.936 2.936 2.936) 5.085 2.704 ( 2.936 2.936 2.936) 5.085 2.829 ( 4.028 4.028 4.028) 6.976 2.829 ( 4.028 4.028 4.028) 6.976 2.882 ( -1.815 -1.815 -1.815) 3.144 2.997 ( 1.699 1.699 1.699) 2.942 3.151 ( -2.343 -2.343 -2.343) 4.058 3.151 ( -2.343 -2.343 -2.343) 4.058 3.272 ( -8.251 -8.251 -8.251) 14.292 3.557 ( 2.004 2.004 2.004) 3.471 3.557 ( 2.004 2.004 2.004) 3.471 3.757 ( 4.321 4.321 4.321) 7.485 3.880 ( -3.660 -3.660 -3.660) 6.340 3.880 ( -3.660 -3.660 -3.660) 6.340 4.043 ( -1.733 -1.733 -1.733) 3.001 4.117 ( 5.652 5.652 5.652) 9.789 4.117 ( 5.652 5.652 5.652) 9.789 4.232 ( -2.206 -2.206 -2.206) 3.821 4.232 ( -2.206 -2.206 -2.206) 3.821 4.252 ( 1.870 1.870 1.870) 3.239 4.453 ( -0.249 -0.249 -0.249) 0.431 4.453 ( -0.249 -0.249 -0.249) 0.431 4.590 ( -1.240 -1.240 -1.240) 2.148 4.599 ( -1.466 -1.466 -1.466) 2.540 4.599 ( -1.466 -1.466 -1.466) 2.540 4.693 ( -0.840 -0.840 -0.840) 1.455 4.900 ( 1.900 1.900 1.900) 3.290 4.900 ( 1.900 1.900 1.900) 3.290 4.989 ( -2.176 -2.176 -2.176) 3.769 5.061 ( 0.201 0.201 0.201) 0.348 5.061 ( 0.201 0.201 0.201) 0.348 5.098 ( -0.543 -0.543 -0.543) 0.941 5.241 ( -1.751 -1.751 -1.751) 3.033 5.280 ( -0.935 -0.935 -0.935) 1.619 5.280 ( -0.935 -0.935 -0.935) 1.619 5.390 ( -2.500 -2.500 -2.500) 4.330 5.390 ( -2.500 -2.500 -2.500) 4.330 5.563 ( -0.287 -0.287 -0.287) 0.498 5.611 ( -1.761 -1.761 -1.761) 3.051 5.611 ( -1.761 -1.761 -1.761) 3.051 5.639 ( -2.195 -2.195 -2.195) 3.803 21.321 ( 0.444 0.444 0.444) 0.769 21.321 ( 0.444 0.444 0.444) 0.769 21.333 ( 0.100 0.100 0.100) 0.173 21.333 ( 0.100 0.100 0.100) 0.173 21.400 ( 1.108 1.108 1.108) 1.919 21.400 ( 1.108 1.108 1.108) 1.919 21.406 ( 1.161 1.161 1.161) 2.011 21.459 ( 0.232 0.232 0.232) 0.402 21.462 ( -0.101 -0.101 -0.101) 0.176 21.462 ( -0.101 -0.101 -0.101) 0.176 21.477 ( -0.490 -0.490 -0.490) 0.849 21.477 ( -0.490 -0.490 -0.490) 0.849 21.567 ( 0.380 0.380 0.380) 0.659 21.610 ( -0.515 -0.515 -0.515) 0.893 21.633 ( -0.861 -0.861 -0.861) 1.491 21.633 ( -0.861 -0.861 -0.861) 1.491 23.462 ( 0.016 0.016 0.016) 0.028 23.462 ( 0.016 0.016 0.016) 0.028 23.462 ( -0.027 -0.027 -0.027) 0.047 23.464 ( -0.058 -0.058 -0.058) 0.100 23.512 ( 0.113 0.113 0.113) 0.196 23.512 ( 0.113 0.113 0.113) 0.196 23.513 ( 0.079 0.079 0.079) 0.137 23.524 ( -0.227 -0.227 -0.227) 0.393 32.153 ( 0.317 0.317 0.317) 0.549 32.164 ( 0.360 0.360 0.360) 0.624 32.164 ( 0.360 0.360 0.360) 0.624 32.175 ( 0.057 0.057 0.057) 0.099 32.184 ( 0.105 0.105 0.105) 0.181 32.184 ( 0.105 0.105 0.105) 0.181 32.189 ( 0.035 0.035 0.035) 0.060 32.205 ( -0.085 -0.085 -0.085) 0.148 41.244 ( 4.674 4.674 4.674) 8.095 41.244 ( 4.674 4.674 4.674) 8.095 41.431 ( 0.808 0.808 0.808) 1.399 41.431 ( 0.808 0.808 0.808) 1.399 41.766 ( 2.200 2.200 2.200) 3.811 41.766 ( 2.200 2.200 2.200) 3.811 42.034 ( -3.418 -3.418 -3.418) 5.920 42.034 ( -3.418 -3.418 -3.418) 5.920 42.078 ( 1.436 1.436 1.436) 2.488 42.191 ( 0.868 0.868 0.868) 1.503 42.255 ( -1.580 -1.580 -1.580) 2.737 42.255 ( -1.580 -1.580 -1.580) 2.737 42.426 ( -1.638 -1.638 -1.638) 2.837 42.471 ( -1.542 -1.542 -1.542) 2.671 42.471 ( -1.542 -1.542 -1.542) 2.671 42.612 ( -4.048 -4.048 -4.048) 7.011 ======================= Grid point 115 (22/24) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -0.419 2.466 2.797) 3.752 1.250 ( 0.419 2.466 2.797) 3.752 1.339 ( -0.215 3.951 4.208) 5.777 1.339 ( 0.215 3.951 4.208) 5.777 1.443 ( -7.243 -2.847 -2.726) 8.246 1.443 ( 7.243 -2.847 -2.726) 8.246 1.579 ( -1.665 -5.195 -6.183) 8.246 1.579 ( 1.665 -5.195 -6.183) 8.246 1.860 ( -7.987 6.582 7.309) 12.671 1.860 ( 7.987 6.582 7.309) 12.671 2.114 ( -2.628 0.779 -0.239) 2.751 2.114 ( 2.628 0.779 -0.239) 2.751 2.300 ( -1.465 2.205 4.307) 5.056 2.300 ( 1.465 2.205 4.307) 5.056 2.424 ( -7.179 4.130 3.339) 8.930 2.424 ( 7.179 4.130 3.339) 8.930 2.587 ( -4.600 1.251 -2.068) 5.196 2.587 ( 4.600 1.251 -2.068) 5.196 2.752 ( -1.687 1.236 5.612) 5.989 2.752 ( 1.687 1.236 5.612) 5.989 2.790 ( -6.180 -0.548 -0.379) 6.215 2.790 ( 6.180 -0.548 -0.379) 6.215 2.908 ( -2.630 4.915 0.436) 5.592 2.908 ( 2.630 4.915 0.436) 5.592 3.063 ( -3.869 -5.219 0.234) 6.500 3.063 ( 3.869 -5.219 0.234) 6.500 3.107 ( -3.867 -0.534 -2.984) 4.913 3.107 ( 3.867 -0.534 -2.984) 4.913 3.624 ( -0.540 -0.275 -0.410) 0.731 3.624 ( 0.540 -0.275 -0.410) 0.731 3.779 ( -0.614 -0.619 -2.109) 2.282 3.779 ( 0.614 -0.619 -2.109) 2.282 3.947 ( -7.645 -1.320 -0.850) 7.804 3.947 ( 7.645 -1.320 -0.850) 7.804 4.135 ( -2.892 -3.046 -4.018) 5.812 4.135 ( 2.892 -3.046 -4.018) 5.812 4.241 ( -2.601 3.021 7.251) 8.275 4.241 ( 2.601 3.021 7.251) 8.275 4.388 ( -7.395 3.276 2.127) 8.363 4.388 ( 7.395 3.276 2.127) 8.363 4.471 ( -4.103 1.128 -1.883) 4.653 4.471 ( 4.103 1.128 -1.883) 4.653 4.582 ( -1.125 -2.824 -0.163) 3.044 4.582 ( 1.125 -2.824 -0.163) 3.044 4.812 ( -7.313 1.550 0.700) 7.508 4.812 ( 7.313 1.550 0.700) 7.508 4.960 ( -2.707 4.294 0.626) 5.114 4.960 ( 2.707 4.294 0.626) 5.114 5.062 ( -3.268 -6.567 -1.566) 7.501 5.062 ( 3.268 -6.567 -1.566) 7.501 5.162 ( -4.346 -0.435 -2.807) 5.192 5.162 ( 4.346 -0.435 -2.807) 5.192 5.265 ( -1.523 -1.694 0.948) 2.468 5.265 ( 1.523 -1.694 0.948) 2.468 5.358 ( -1.417 -1.480 -3.586) 4.130 5.358 ( 1.417 -1.480 -3.586) 4.130 5.580 ( -1.219 -1.838 -0.914) 2.388 5.580 ( 1.219 -1.838 -0.914) 2.388 5.600 ( -0.960 -1.397 -2.004) 2.625 5.600 ( 0.960 -1.397 -2.004) 2.625 21.326 ( -0.070 0.469 0.505) 0.693 21.326 ( 0.070 0.469 0.505) 0.693 21.334 ( -0.135 0.172 0.131) 0.255 21.334 ( 0.135 0.172 0.131) 0.255 21.418 ( -0.103 1.229 1.167) 1.697 21.418 ( 0.103 1.229 1.167) 1.697 21.433 ( -1.372 1.130 1.139) 2.111 21.433 ( 1.372 1.130 1.139) 2.111 21.462 ( -0.105 -0.124 -0.130) 0.208 21.462 ( 0.105 -0.124 -0.130) 0.208 21.470 ( -0.163 -0.432 -0.343) 0.576 21.470 ( 0.163 -0.432 -0.343) 0.576 21.590 ( -1.404 -0.328 -0.305) 1.474 21.590 ( 1.404 -0.328 -0.305) 1.474 21.622 ( -0.256 -1.270 -1.316) 1.847 21.622 ( 0.256 -1.270 -1.316) 1.847 23.462 ( -0.014 0.004 0.016) 0.021 23.462 ( 0.014 0.004 0.016) 0.021 23.463 ( -0.056 -0.024 -0.034) 0.070 23.463 ( 0.056 -0.024 -0.034) 0.070 23.512 ( -0.022 0.152 0.141) 0.209 23.512 ( 0.022 0.152 0.141) 0.209 23.519 ( -0.285 -0.120 -0.110) 0.329 23.519 ( 0.285 -0.120 -0.110) 0.329 32.160 ( -0.315 0.476 0.501) 0.760 32.160 ( 0.315 0.476 0.501) 0.760 32.178 ( -0.565 0.424 0.013) 0.706 32.178 ( 0.565 0.424 0.013) 0.706 32.179 ( -0.267 -0.049 0.336) 0.432 32.179 ( 0.267 -0.049 0.336) 0.432 32.199 ( -0.454 -0.181 -0.181) 0.521 32.199 ( 0.454 -0.181 -0.181) 0.521 41.308 ( -0.855 4.402 5.327) 6.963 41.308 ( 0.855 4.402 5.327) 6.963 41.425 ( -2.270 1.274 0.009) 2.603 41.425 ( 2.270 1.274 0.009) 2.603 41.821 ( -3.657 2.383 2.961) 5.274 41.821 ( 3.657 2.383 2.961) 5.274 41.963 ( -2.217 -1.919 -1.751) 3.415 41.963 ( 2.217 -1.919 -1.751) 3.415 42.153 ( -4.087 0.532 -0.013) 4.122 42.153 ( 4.087 0.532 -0.013) 4.122 42.234 ( -0.962 -0.931 -1.289) 1.859 42.234 ( 0.962 -0.931 -1.289) 1.859 42.419 ( -1.237 -2.082 -1.223) 2.713 42.419 ( 1.237 -2.082 -1.223) 2.713 42.524 ( -3.814 -4.223 -4.585) 7.308 42.524 ( 3.814 -4.223 -4.585) 7.308 ======================= Grid point 125 (23/24) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -2.205 -3.802 -1.553) 4.662 1.323 ( -0.970 -3.671 -1.553) 4.102 1.323 ( 0.970 3.671 -1.553) 4.102 1.323 ( 2.205 3.802 -1.553) 4.662 1.470 ( -3.837 -4.578 -0.459) 5.991 1.470 ( 2.678 -4.367 -0.459) 5.143 1.470 ( -2.678 4.367 -0.459) 5.143 1.470 ( 3.837 4.578 -0.459) 5.991 2.025 ( -6.910 -7.383 6.811) 12.192 2.025 ( 5.611 -7.103 6.811) 11.328 2.025 ( -5.611 7.103 6.811) 11.328 2.025 ( 6.910 7.383 6.811) 12.192 2.411 ( -4.642 -5.819 -0.913) 7.500 2.411 ( 4.601 -5.811 -0.913) 7.468 2.411 ( -4.601 5.811 -0.913) 7.468 2.411 ( 4.642 5.819 -0.913) 7.500 2.647 ( -6.888 -6.092 5.794) 10.869 2.647 ( 2.138 -5.138 5.794) 8.033 2.647 ( -2.138 5.138 5.794) 8.033 2.647 ( 6.888 6.092 5.794) 10.869 2.891 ( -2.140 -5.082 1.890) 5.830 2.891 ( -0.164 -4.969 1.890) 5.319 2.891 ( 0.164 4.969 1.890) 5.319 2.891 ( 2.140 5.082 1.890) 5.830 3.071 ( -1.584 -3.384 -5.926) 7.006 3.071 ( 0.862 -3.318 -5.926) 6.846 3.071 ( -0.862 3.318 -5.926) 6.846 3.071 ( 1.584 3.384 -5.926) 7.006 3.679 ( -3.645 -5.028 -0.064) 6.210 3.679 ( -0.863 -4.706 -0.064) 4.785 3.679 ( 0.863 4.706 -0.064) 4.785 3.679 ( 3.645 5.028 -0.064) 6.210 4.015 ( -5.288 -5.554 -3.835) 8.574 4.015 ( 2.678 -5.065 -3.835) 6.894 4.015 ( -2.678 5.065 -3.835) 6.894 4.015 ( 5.288 5.554 -3.835) 8.574 4.367 ( -4.260 -6.368 2.318) 8.004 4.367 ( 4.137 -6.348 2.318) 7.924 4.367 ( -4.137 6.348 2.318) 7.924 4.367 ( 4.260 6.368 2.318) 8.004 4.512 ( -4.815 -4.501 3.472) 7.450 4.512 ( 0.865 -3.827 3.472) 5.239 4.512 ( -0.865 3.827 3.472) 5.239 4.512 ( 4.815 4.501 3.472) 7.450 4.902 ( -5.731 -6.790 0.320) 8.891 4.902 ( 5.444 -6.730 0.320) 8.663 4.902 ( -5.444 6.730 0.320) 8.663 4.902 ( 5.731 6.790 0.320) 8.891 5.086 ( -2.843 -5.667 -2.312) 6.748 5.086 ( 1.649 -5.547 -2.312) 6.232 5.086 ( -1.649 5.547 -2.312) 6.232 5.086 ( 2.843 5.667 -2.312) 6.748 5.297 ( -1.020 -3.333 -2.414) 4.240 5.297 ( -0.222 -3.296 -2.414) 4.091 5.297 ( 0.222 3.296 -2.414) 4.091 5.297 ( 1.020 3.333 -2.414) 4.240 5.573 ( -0.410 -0.910 -1.328) 1.661 5.573 ( 0.297 -0.899 -1.328) 1.631 5.573 ( -0.297 0.899 -1.328) 1.631 5.573 ( 0.410 0.910 -1.328) 1.661 21.334 ( -0.098 -0.185 0.361) 0.418 21.334 ( -0.039 -0.179 0.361) 0.405 21.334 ( 0.039 0.179 0.361) 0.405 21.334 ( 0.098 0.185 0.361) 0.418 21.445 ( -0.661 -0.817 0.788) 1.314 21.445 ( -0.336 -0.766 0.788) 1.149 21.445 ( 0.336 0.766 0.788) 1.149 21.445 ( 0.661 0.817 0.788) 1.314 21.458 ( -0.640 -0.446 0.614) 0.992 21.458 ( 0.022 -0.310 0.614) 0.688 21.458 ( -0.022 0.310 0.614) 0.688 21.458 ( 0.640 0.446 0.614) 0.992 21.597 ( -0.841 -0.909 -1.339) 1.824 21.597 ( 0.495 -0.843 -1.339) 1.658 21.597 ( -0.495 0.843 -1.339) 1.658 21.597 ( 0.841 0.909 -1.339) 1.824 23.462 ( -0.025 -0.030 -0.002) 0.039 23.462 ( 0.024 -0.030 -0.002) 0.039 23.462 ( -0.024 0.030 -0.002) 0.039 23.462 ( 0.025 0.030 -0.002) 0.039 23.516 ( -0.152 -0.147 0.009) 0.212 23.516 ( 0.144 -0.145 0.009) 0.204 23.516 ( -0.144 0.145 0.009) 0.204 23.516 ( 0.152 0.147 0.009) 0.212 32.170 ( -0.429 -0.461 0.588) 0.861 32.170 ( 0.336 -0.441 0.588) 0.808 32.170 ( -0.336 0.441 0.588) 0.808 32.170 ( 0.429 0.461 0.588) 0.861 32.192 ( -0.501 -0.512 -0.238) 0.755 32.192 ( 0.456 -0.502 -0.238) 0.719 32.192 ( -0.456 0.502 -0.238) 0.719 32.192 ( 0.501 0.512 -0.238) 0.755 41.398 ( -1.387 -3.199 3.090) 4.659 41.398 ( -0.674 -3.141 3.090) 4.458 41.398 ( 0.674 3.141 3.090) 4.458 41.398 ( 1.387 3.199 3.090) 4.659 41.900 ( -2.442 -3.842 -0.412) 4.571 41.900 ( -0.744 -3.661 -0.412) 3.759 41.900 ( 0.744 3.661 -0.412) 3.759 41.900 ( 2.442 3.842 -0.412) 4.571 42.184 ( -2.658 -2.505 2.091) 4.208 42.184 ( 2.632 -2.498 2.091) 4.188 42.184 ( -2.632 2.498 2.091) 4.188 42.184 ( 2.658 2.505 2.091) 4.208 42.440 ( -2.797 -3.182 -5.053) 6.594 42.440 ( 2.266 -3.074 -5.053) 6.334 42.440 ( -2.266 3.074 -5.053) 6.334 42.440 ( 2.797 3.182 -5.053) 6.594 ======================= Grid point 201 (24/24) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-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 3.36e-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 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 12 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 1.469 ( -0.000 -0.000 -0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.382 ( -0.000 -0.000 -0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.903 ( -0.000 -0.000 -0.000) 0.000 2.903 ( -0.000 -0.000 -0.000) 0.000 2.903 ( -0.000 -0.000 -0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.898 ( -0.000 -0.000 -0.000) 0.000 4.898 ( -0.000 -0.000 -0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.063 ( -0.000 -0.000 -0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.263 ( -0.000 -0.000 -0.000) 0.000 5.263 ( -0.000 -0.000 -0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 21.338 ( 0.000 0.000 0.000) 0.000 21.338 ( 0.000 0.000 0.000) 0.000 21.338 ( 0.000 0.000 0.000) 0.000 21.338 ( 0.000 0.000 0.000) 0.000 21.452 ( 0.000 0.000 0.000) 0.000 21.452 ( 0.000 0.000 0.000) 0.000 21.452 ( 0.000 0.000 0.000) 0.000 21.452 ( 0.000 0.000 0.000) 0.000 21.468 ( 0.000 0.000 0.000) 0.000 21.468 ( 0.000 0.000 0.000) 0.000 21.468 ( 0.000 0.000 0.000) 0.000 21.468 ( 0.000 0.000 0.000) 0.000 21.579 ( 0.000 0.000 0.000) 0.000 21.579 ( 0.000 0.000 0.000) 0.000 21.579 ( 0.000 0.000 0.000) 0.000 21.579 ( 0.000 0.000 0.000) 0.000 23.462 ( 0.000 0.000 0.000) 0.000 23.462 ( 0.000 0.000 0.000) 0.000 23.462 ( 0.000 0.000 0.000) 0.000 23.462 ( 0.000 0.000 0.000) 0.000 23.516 ( 0.000 0.000 0.000) 0.000 23.516 ( 0.000 0.000 0.000) 0.000 23.516 ( 0.000 0.000 0.000) 0.000 23.516 ( 0.000 0.000 0.000) 0.000 32.179 ( 0.000 0.000 0.000) 0.000 32.179 ( 0.000 0.000 0.000) 0.000 32.179 ( 0.000 0.000 0.000) 0.000 32.179 ( 0.000 0.000 0.000) 0.000 32.186 ( -0.000 -0.000 -0.000) 0.000 32.186 ( 0.000 0.000 0.000) 0.000 32.186 ( 0.000 0.000 0.000) 0.000 32.186 ( 0.000 0.000 0.000) 0.000 41.434 ( 0.000 0.000 0.000) 0.000 41.434 ( 0.000 0.000 0.000) 0.000 41.434 ( 0.000 0.000 0.000) 0.000 41.434 ( 0.000 0.000 0.000) 0.000 41.896 ( 0.000 0.000 0.000) 0.000 41.896 ( 0.000 0.000 0.000) 0.000 41.896 ( 0.000 0.000 0.000) 0.000 41.896 ( 0.000 0.000 0.000) 0.000 42.220 ( -0.000 -0.000 -0.000) 0.000 42.220 ( 0.000 0.000 0.000) 0.000 42.220 ( 0.000 0.000 0.000) 0.000 42.220 ( 0.000 0.000 0.000) 0.000 42.368 ( 0.000 0.000 0.000) 0.000 42.368 ( 0.000 0.000 0.000) 0.000 42.368 ( 0.000 0.000 0.000) 0.000 42.368 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/23328 10.0 75.518 75.518 75.518 0.000 0.000 0.000 3/23328 20.0 9.838 9.838 9.838 0.000 0.000 0.000 3/23328 30.0 3.940 3.940 3.940 0.000 0.000 0.000 3/23328 40.0 2.318 2.318 2.318 0.000 0.000 0.000 3/23328 50.0 1.631 1.631 1.631 0.000 0.000 0.000 3/23328 60.0 1.266 1.266 1.266 0.000 0.000 0.000 3/23328 70.0 1.041 1.041 1.041 0.000 0.000 0.000 3/23328 80.0 0.888 0.888 0.888 0.000 0.000 0.000 3/23328 90.0 0.777 0.777 0.777 0.000 0.000 0.000 3/23328 100.0 0.692 0.692 0.692 0.000 0.000 0.000 3/23328 110.0 0.625 0.625 0.625 0.000 0.000 0.000 3/23328 120.0 0.570 0.570 0.570 0.000 0.000 0.000 3/23328 130.0 0.524 0.524 0.524 0.000 0.000 0.000 3/23328 140.0 0.486 0.486 0.486 0.000 0.000 0.000 3/23328 150.0 0.453 0.453 0.453 0.000 0.000 0.000 3/23328 160.0 0.425 0.425 0.425 0.000 0.000 0.000 3/23328 170.0 0.401 0.401 0.401 0.000 0.000 0.000 3/23328 180.0 0.379 0.379 0.379 0.000 0.000 0.000 3/23328 190.0 0.361 0.361 0.361 0.000 0.000 0.000 3/23328 200.0 0.344 0.344 0.344 0.000 0.000 0.000 3/23328 210.0 0.330 0.330 0.330 0.000 0.000 0.000 3/23328 220.0 0.317 0.317 0.317 0.000 0.000 0.000 3/23328 230.0 0.305 0.305 0.305 0.000 0.000 0.000 3/23328 240.0 0.295 0.295 0.295 0.000 0.000 0.000 3/23328 250.0 0.285 0.285 0.285 0.000 0.000 0.000 3/23328 260.0 0.277 0.277 0.277 0.000 0.000 0.000 3/23328 270.0 0.269 0.269 0.269 0.000 0.000 0.000 3/23328 280.0 0.262 0.262 0.262 0.000 0.000 0.000 3/23328 290.0 0.256 0.256 0.256 0.000 0.000 0.000 3/23328 300.0 0.250 0.250 0.250 0.000 0.000 0.000 3/23328 310.0 0.244 0.244 0.244 0.000 0.000 0.000 3/23328 320.0 0.239 0.239 0.239 0.000 0.000 0.000 3/23328 330.0 0.234 0.234 0.234 0.000 0.000 0.000 3/23328 340.0 0.230 0.230 0.230 0.000 0.000 0.000 3/23328 350.0 0.226 0.226 0.226 0.000 0.000 0.000 3/23328 360.0 0.222 0.222 0.222 0.000 0.000 0.000 3/23328 370.0 0.218 0.218 0.218 0.000 0.000 0.000 3/23328 380.0 0.215 0.215 0.215 0.000 0.000 0.000 3/23328 390.0 0.211 0.211 0.211 0.000 0.000 0.000 3/23328 400.0 0.208 0.208 0.208 0.000 0.000 0.000 3/23328 410.0 0.205 0.205 0.205 0.000 0.000 0.000 3/23328 420.0 0.202 0.202 0.202 0.000 0.000 0.000 3/23328 430.0 0.199 0.199 0.199 0.000 0.000 0.000 3/23328 440.0 0.196 0.196 0.196 0.000 0.000 0.000 3/23328 450.0 0.194 0.194 0.194 0.000 0.000 0.000 3/23328 460.0 0.191 0.191 0.191 0.000 0.000 0.000 3/23328 470.0 0.189 0.189 0.189 0.000 0.000 0.000 3/23328 480.0 0.186 0.186 0.186 0.000 0.000 0.000 3/23328 490.0 0.184 0.184 0.184 0.000 0.000 0.000 3/23328 500.0 0.181 0.181 0.181 0.000 0.000 0.000 3/23328 510.0 0.179 0.179 0.179 0.000 0.000 0.000 3/23328 520.0 0.177 0.177 0.177 0.000 0.000 0.000 3/23328 530.0 0.175 0.175 0.175 0.000 0.000 0.000 3/23328 540.0 0.173 0.173 0.173 0.000 0.000 0.000 3/23328 550.0 0.171 0.171 0.171 0.000 0.000 -0.000 3/23328 560.0 0.169 0.169 0.169 0.000 0.000 -0.000 3/23328 570.0 0.167 0.167 0.167 0.000 0.000 -0.000 3/23328 580.0 0.165 0.165 0.165 0.000 0.000 -0.000 3/23328 590.0 0.163 0.163 0.163 0.000 0.000 -0.000 3/23328 600.0 0.161 0.161 0.161 0.000 0.000 -0.000 3/23328 610.0 0.159 0.159 0.159 0.000 0.000 -0.000 3/23328 620.0 0.158 0.158 0.158 0.000 0.000 -0.000 3/23328 630.0 0.156 0.156 0.156 0.000 0.000 -0.000 3/23328 640.0 0.154 0.154 0.154 0.000 0.000 -0.000 3/23328 650.0 0.153 0.153 0.153 0.000 0.000 -0.000 3/23328 660.0 0.151 0.151 0.151 0.000 0.000 -0.000 3/23328 670.0 0.149 0.149 0.149 0.000 0.000 -0.000 3/23328 680.0 0.148 0.148 0.148 0.000 0.000 -0.000 3/23328 690.0 0.146 0.146 0.146 0.000 0.000 -0.000 3/23328 700.0 0.145 0.145 0.145 0.000 0.000 -0.000 3/23328 710.0 0.143 0.143 0.143 0.000 0.000 -0.000 3/23328 720.0 0.142 0.142 0.142 0.000 0.000 -0.000 3/23328 730.0 0.140 0.140 0.140 0.000 0.000 -0.000 3/23328 740.0 0.139 0.139 0.139 0.000 0.000 -0.000 3/23328 750.0 0.138 0.138 0.138 0.000 0.000 -0.000 3/23328 760.0 0.136 0.136 0.136 0.000 0.000 -0.000 3/23328 770.0 0.135 0.135 0.135 0.000 0.000 -0.000 3/23328 780.0 0.134 0.134 0.134 0.000 0.000 -0.000 3/23328 790.0 0.132 0.132 0.132 0.000 0.000 -0.000 3/23328 800.0 0.131 0.131 0.131 0.000 0.000 -0.000 3/23328 810.0 0.130 0.130 0.130 0.000 0.000 -0.000 3/23328 820.0 0.129 0.129 0.129 0.000 0.000 -0.000 3/23328 830.0 0.127 0.127 0.127 0.000 0.000 -0.000 3/23328 840.0 0.126 0.126 0.126 0.000 0.000 -0.000 3/23328 850.0 0.125 0.125 0.125 0.000 0.000 -0.000 3/23328 860.0 0.124 0.124 0.124 0.000 0.000 -0.000 3/23328 870.0 0.123 0.123 0.123 0.000 0.000 -0.000 3/23328 880.0 0.122 0.122 0.122 0.000 0.000 -0.000 3/23328 890.0 0.120 0.120 0.120 0.000 0.000 -0.000 3/23328 900.0 0.119 0.119 0.119 0.000 0.000 -0.000 3/23328 910.0 0.118 0.118 0.118 0.000 0.000 -0.000 3/23328 920.0 0.117 0.117 0.117 0.000 0.000 -0.000 3/23328 930.0 0.116 0.116 0.116 0.000 0.000 -0.000 3/23328 940.0 0.115 0.115 0.115 0.000 0.000 -0.000 3/23328 950.0 0.114 0.114 0.114 0.000 0.000 -0.000 3/23328 960.0 0.113 0.113 0.113 0.000 0.000 -0.000 3/23328 970.0 0.112 0.112 0.112 0.000 0.000 -0.000 3/23328 980.0 0.111 0.111 0.111 0.000 0.000 -0.000 3/23328 990.0 0.111 0.111 0.111 0.000 0.000 -0.000 3/23328 1000.0 0.110 0.110 0.110 0.000 0.000 -0.000 3/23328 Thermal conductivity related properties were written into "kappa-m666.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:58:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|