----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:07:49]------------------------- 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: P-43m (215) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.499575230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.499575230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.499575230000000 Atomic positions (fractional): *1 Yb 0.28811465607564 0.28811465607564 0.71188534392436 173.054 2 Yb 0.28811465607564 0.71188534392436 0.28811465607564 173.054 3 Yb 0.71188534392436 0.28811465607564 0.28811465607564 173.054 4 Yb 0.71188534392436 0.71188534392436 0.71188534392436 173.054 *5 Mg 0.78378232325635 0.78378232325635 0.21621767674365 24.305 6 Mg 0.78378232325635 0.21621767674365 0.78378232325635 24.305 7 Mg 0.21621767674365 0.78378232325635 0.78378232325635 24.305 8 Mg 0.21621767674365 0.21621767674365 0.21621767674365 24.305 *9 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 10 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 11 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 *12 H 0.00000000000000 0.50000000000000 0.24101893551700 1.008 13 H 0.50000000000000 0.75898106448300 0.00000000000000 1.008 14 H 0.75898106448300 0.00000000000000 0.50000000000000 1.008 15 H 0.00000000000000 0.75898106448300 0.50000000000000 1.008 16 H 0.50000000000000 0.00000000000000 0.24101893551700 1.008 17 H 0.75898106448300 0.50000000000000 0.00000000000000 1.008 18 H 0.00000000000000 0.50000000000000 0.75898106448300 1.008 19 H 0.50000000000000 0.24101893551700 0.00000000000000 1.008 20 H 0.00000000000000 0.24101893551700 0.50000000000000 1.008 21 H 0.50000000000000 0.00000000000000 0.75898106448300 1.008 22 H 0.24101893551700 0.00000000000000 0.50000000000000 1.008 23 H 0.24101893551700 0.50000000000000 0.00000000000000 1.008 *24 H 0.00000000000000 0.00000000000000 0.25993261203048 1.008 25 H 0.00000000000000 0.74006738796952 0.00000000000000 1.008 26 H 0.74006738796952 0.00000000000000 0.00000000000000 1.008 27 H 0.00000000000000 0.00000000000000 0.74006738796952 1.008 28 H 0.00000000000000 0.25993261203048 0.00000000000000 1.008 29 H 0.25993261203048 0.00000000000000 0.00000000000000 1.008 *30 H 0.62128708466912 0.62128708466912 0.37871291533088 1.008 31 H 0.62128708466912 0.37871291533088 0.62128708466912 1.008 32 H 0.37871291533088 0.62128708466912 0.62128708466912 1.008 33 H 0.37871291533088 0.37871291533088 0.37871291533088 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.499575230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.499575230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.499575230000000 Atomic positions (fractional): *1 Yb 0.28811465607564 0.28811465607564 0.71188534392436 173.054 > 1 2 Yb 0.28811465607564 0.71188534392436 0.28811465607564 173.054 > 2 3 Yb 0.71188534392436 0.28811465607564 0.28811465607564 173.054 > 3 4 Yb 0.71188534392436 0.71188534392436 0.71188534392436 173.054 > 4 *5 Mg 0.78378232325635 0.78378232325635 0.21621767674365 24.305 > 5 6 Mg 0.78378232325635 0.21621767674365 0.78378232325635 24.305 > 6 7 Mg 0.21621767674365 0.78378232325635 0.78378232325635 24.305 > 7 8 Mg 0.21621767674365 0.21621767674365 0.21621767674365 24.305 > 8 *9 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 9 10 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 10 11 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 11 *12 H 0.00000000000000 0.50000000000000 0.24101893551700 1.008 > 12 13 H 0.50000000000000 0.75898106448300 0.00000000000000 1.008 > 13 14 H 0.75898106448300 0.00000000000000 0.50000000000000 1.008 > 14 15 H 0.00000000000000 0.75898106448300 0.50000000000000 1.008 > 15 16 H 0.50000000000000 0.00000000000000 0.24101893551700 1.008 > 16 17 H 0.75898106448300 0.50000000000000 0.00000000000000 1.008 > 17 18 H 0.00000000000000 0.50000000000000 0.75898106448300 1.008 > 18 19 H 0.50000000000000 0.24101893551700 0.00000000000000 1.008 > 19 20 H 0.00000000000000 0.24101893551700 0.50000000000000 1.008 > 20 21 H 0.50000000000000 0.00000000000000 0.75898106448300 1.008 > 21 22 H 0.24101893551700 0.00000000000000 0.50000000000000 1.008 > 22 23 H 0.24101893551700 0.50000000000000 0.00000000000000 1.008 > 23 *24 H 0.00000000000000 0.00000000000000 0.25993261203048 1.008 > 24 25 H 0.00000000000000 0.74006738796952 0.00000000000000 1.008 > 25 26 H 0.74006738796952 0.00000000000000 0.00000000000000 1.008 > 26 27 H 0.00000000000000 0.00000000000000 0.74006738796952 1.008 > 27 28 H 0.00000000000000 0.25993261203048 0.00000000000000 1.008 > 28 29 H 0.25993261203048 0.00000000000000 0.00000000000000 1.008 > 29 *30 H 0.62128708466912 0.62128708466912 0.37871291533088 1.008 > 30 31 H 0.62128708466912 0.37871291533088 0.62128708466912 1.008 > 31 32 H 0.37871291533088 0.62128708466912 0.62128708466912 1.008 > 32 33 H 0.37871291533088 0.37871291533088 0.37871291533088 1.008 > 33 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.499575230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.499575230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.499575230000000 Atomic positions (fractional): *1 Yb 0.28811465607564 0.28811465607564 0.71188534392436 173.054 > 1 2 Yb 0.28811465607564 0.71188534392436 0.28811465607564 173.054 > 2 3 Yb 0.71188534392436 0.28811465607564 0.28811465607564 173.054 > 3 4 Yb 0.71188534392436 0.71188534392436 0.71188534392436 173.054 > 4 *5 Mg 0.78378232325635 0.78378232325635 0.21621767674365 24.305 > 5 6 Mg 0.78378232325635 0.21621767674365 0.78378232325635 24.305 > 6 7 Mg 0.21621767674365 0.78378232325635 0.78378232325635 24.305 > 7 8 Mg 0.21621767674365 0.21621767674365 0.21621767674365 24.305 > 8 *9 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 9 10 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 10 11 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 11 *12 H 0.00000000000000 0.50000000000000 0.24101893551700 1.008 > 12 13 H 0.50000000000000 0.75898106448300 0.00000000000000 1.008 > 13 14 H 0.75898106448300 0.00000000000000 0.50000000000000 1.008 > 14 15 H 0.00000000000000 0.75898106448300 0.50000000000000 1.008 > 15 16 H 0.50000000000000 0.00000000000000 0.24101893551700 1.008 > 16 17 H 0.75898106448300 0.50000000000000 0.00000000000000 1.008 > 17 18 H 0.00000000000000 0.50000000000000 0.75898106448300 1.008 > 18 19 H 0.50000000000000 0.24101893551700 0.00000000000000 1.008 > 19 20 H 0.00000000000000 0.24101893551700 0.50000000000000 1.008 > 20 21 H 0.50000000000000 0.00000000000000 0.75898106448300 1.008 > 21 22 H 0.24101893551700 0.00000000000000 0.50000000000000 1.008 > 22 23 H 0.24101893551700 0.50000000000000 0.00000000000000 1.008 > 23 *24 H 0.00000000000000 0.00000000000000 0.25993261203048 1.008 > 24 25 H 0.00000000000000 0.74006738796952 0.00000000000000 1.008 > 25 26 H 0.74006738796952 0.00000000000000 0.00000000000000 1.008 > 26 27 H 0.00000000000000 0.00000000000000 0.74006738796952 1.008 > 27 28 H 0.00000000000000 0.25993261203048 0.00000000000000 1.008 > 28 29 H 0.25993261203048 0.00000000000000 0.00000000000000 1.008 > 29 *30 H 0.62128708466912 0.62128708466912 0.37871291533088 1.008 > 30 31 H 0.62128708466912 0.37871291533088 0.62128708466912 1.008 > 31 32 H 0.37871291533088 0.62128708466912 0.62128708466912 1.008 > 32 33 H 0.37871291533088 0.37871291533088 0.37871291533088 1.008 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2459408 0.0000000 0.0000000 0.0000000 5.2459408 0.0000000 0.0000000 0.0000000 5.2459408 -------------------------- Born effective charges -------------------------- 1 Yb 2.1068305 -0.0222930 0.0222930 -0.0222930 2.1068305 0.0222930 0.0222930 0.0222930 2.1068305 2 Yb 2.1068305 0.0222930 -0.0222930 0.0222930 2.1068305 0.0222930 -0.0222930 0.0222930 2.1068305 3 Yb 2.1068305 0.0222930 0.0222930 0.0222930 2.1068305 -0.0222930 0.0222930 -0.0222930 2.1068305 4 Yb 2.1068305 -0.0222930 -0.0222930 -0.0222930 2.1068305 -0.0222930 -0.0222930 -0.0222930 2.1068305 5 Mg 1.8812047 -0.2611619 0.2611619 -0.2611619 1.8812047 0.2611619 0.2611619 0.2611619 1.8812047 6 Mg 1.8812047 0.2611619 -0.2611619 0.2611619 1.8812047 0.2611619 -0.2611619 0.2611619 1.8812047 7 Mg 1.8812047 0.2611619 0.2611619 0.2611619 1.8812047 -0.2611619 0.2611619 -0.2611619 1.8812047 8 Mg 1.8812047 -0.2611619 -0.2611619 -0.2611619 1.8812047 -0.2611619 -0.2611619 -0.2611619 1.8812047 9 Fe -2.6567462 0.0000000 0.0000000 0.0000000 -2.6567462 0.0000000 0.0000000 0.0000000 -2.7647939 10 Fe -2.6567462 0.0000000 0.0000000 0.0000000 -2.7647939 0.0000000 0.0000000 0.0000000 -2.6567462 11 Fe -2.7647939 0.0000000 0.0000000 0.0000000 -2.6567462 0.0000000 0.0000000 0.0000000 -2.6567462 12 H -0.0118782 -0.0700571 0.0000000 -0.0889079 0.0182912 0.0000000 0.0000000 0.0000000 -0.7621687 13 H 0.0182912 0.0000000 0.0889079 0.0000000 -0.7621687 0.0000000 0.0700571 0.0000000 -0.0118782 14 H -0.7621687 0.0000000 0.0000000 0.0000000 -0.0118782 0.0700571 0.0000000 0.0889079 0.0182912 15 H -0.0118782 0.0000000 0.0700571 0.0000000 -0.7621687 0.0000000 0.0889079 0.0000000 0.0182912 16 H 0.0182912 -0.0889079 0.0000000 -0.0700571 -0.0118782 0.0000000 0.0000000 0.0000000 -0.7621687 17 H -0.7621687 0.0000000 0.0000000 0.0000000 0.0182912 0.0889079 0.0000000 0.0700571 -0.0118782 18 H -0.0118782 0.0700571 0.0000000 0.0889079 0.0182912 0.0000000 0.0000000 0.0000000 -0.7621687 19 H 0.0182912 0.0000000 -0.0889079 0.0000000 -0.7621687 0.0000000 -0.0700571 0.0000000 -0.0118782 20 H -0.0118782 0.0000000 -0.0700571 0.0000000 -0.7621687 0.0000000 -0.0889079 0.0000000 0.0182912 21 H 0.0182912 0.0889079 0.0000000 0.0700571 -0.0118782 0.0000000 0.0000000 0.0000000 -0.7621687 22 H -0.7621687 0.0000000 0.0000000 0.0000000 -0.0118782 -0.0700571 0.0000000 -0.0889079 0.0182912 23 H -0.7621687 0.0000000 0.0000000 0.0000000 0.0182912 -0.0889079 0.0000000 -0.0700571 -0.0118782 24 H 0.0523066 0.0261946 0.0000000 0.0261946 0.0523066 0.0000000 0.0000000 0.0000000 -0.7781403 25 H 0.0523066 0.0000000 -0.0261946 0.0000000 -0.7781403 0.0000000 -0.0261946 0.0000000 0.0523066 26 H -0.7781403 0.0000000 0.0000000 0.0000000 0.0523066 -0.0261946 0.0000000 -0.0261946 0.0523066 27 H 0.0523066 -0.0261946 0.0000000 -0.0261946 0.0523066 0.0000000 0.0000000 0.0000000 -0.7781403 28 H 0.0523066 0.0000000 0.0261946 0.0000000 -0.7781403 0.0000000 0.0261946 0.0000000 0.0523066 29 H -0.7781403 0.0000000 0.0000000 0.0000000 0.0523066 0.0261946 0.0000000 0.0261946 0.0523066 30 H -0.8759444 0.0331607 -0.0331607 0.0331607 -0.8759444 -0.0331607 -0.0331607 -0.0331607 -0.8759444 31 H -0.8759444 -0.0331607 0.0331607 -0.0331607 -0.8759444 -0.0331607 0.0331607 -0.0331607 -0.8759444 32 H -0.8759444 -0.0331607 -0.0331607 -0.0331607 -0.8759444 0.0331607 -0.0331607 0.0331607 -0.8759444 33 H -0.8759444 0.0331607 0.0331607 0.0331607 -0.8759444 0.0331607 0.0331607 0.0331607 -0.8759444 ---------------------------------------------------------------------------- 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: 99/99 Permutation basis: 4851/4851 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 239 Number of blocks in projector: 239 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: 132 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 107 Use standard eigh solver. Tree of FC basis block matrices: - (239, 223), data: False |-- (107, 97), data: True |-- (132, 126), data: True ----- Solver_atoms: 1 -- 33 / 33 Time (Solver_compr_matrix_reshape): 0.000 Solver_block: 100 / 240 - Time: 0.087 Solver_block: 200 / 240 - Time: 0.055 Solver_block: 240 / 240 - Time: 0.026 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.172 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 99/99 Permutation basis: 4851/4851 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 239 Number of blocks in projector: 239 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: 132 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 107 Use standard eigh solver. Tree of FC basis block matrices: - (239, 223), data: False |-- (107, 97), data: True |-- (132, 126), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:07:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:07:53]------------------------- 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: P-43m (215) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.499575230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.499575230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.499575230000000 Atomic positions (fractional): 1 Yb 0.28811465607564 0.28811465607564 0.71188534392436 173.054 2 Yb 0.28811465607564 0.71188534392436 0.28811465607564 173.054 3 Yb 0.71188534392436 0.28811465607564 0.28811465607564 173.054 4 Yb 0.71188534392436 0.71188534392436 0.71188534392436 173.054 5 Mg 0.78378232325635 0.78378232325635 0.21621767674365 24.305 6 Mg 0.78378232325635 0.21621767674365 0.78378232325635 24.305 7 Mg 0.21621767674365 0.78378232325635 0.78378232325635 24.305 8 Mg 0.21621767674365 0.21621767674365 0.21621767674365 24.305 9 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 10 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 11 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 12 H 0.00000000000000 0.50000000000000 0.24101893551700 1.008 13 H 0.50000000000000 0.75898106448300 0.00000000000000 1.008 14 H 0.75898106448300 0.00000000000000 0.50000000000000 1.008 15 H 0.00000000000000 0.75898106448300 0.50000000000000 1.008 16 H 0.50000000000000 0.00000000000000 0.24101893551700 1.008 17 H 0.75898106448300 0.50000000000000 0.00000000000000 1.008 18 H 0.00000000000000 0.50000000000000 0.75898106448300 1.008 19 H 0.50000000000000 0.24101893551700 0.00000000000000 1.008 20 H 0.00000000000000 0.24101893551700 0.50000000000000 1.008 21 H 0.50000000000000 0.00000000000000 0.75898106448300 1.008 22 H 0.24101893551700 0.00000000000000 0.50000000000000 1.008 23 H 0.24101893551700 0.50000000000000 0.00000000000000 1.008 24 H 0.00000000000000 0.00000000000000 0.25993261203048 1.008 25 H 0.00000000000000 0.74006738796952 0.00000000000000 1.008 26 H 0.74006738796952 0.00000000000000 0.00000000000000 1.008 27 H 0.00000000000000 0.00000000000000 0.74006738796952 1.008 28 H 0.00000000000000 0.25993261203048 0.00000000000000 1.008 29 H 0.25993261203048 0.00000000000000 0.00000000000000 1.008 30 H 0.62128708466912 0.62128708466912 0.37871291533088 1.008 31 H 0.62128708466912 0.37871291533088 0.62128708466912 1.008 32 H 0.37871291533088 0.62128708466912 0.62128708466912 1.008 33 H 0.37871291533088 0.37871291533088 0.37871291533088 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.499575230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.499575230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.499575230000000 Atomic positions (fractional): 1 Yb 0.28811465607564 0.28811465607564 0.71188534392436 173.054 > 1 2 Yb 0.28811465607564 0.71188534392436 0.28811465607564 173.054 > 2 3 Yb 0.71188534392436 0.28811465607564 0.28811465607564 173.054 > 3 4 Yb 0.71188534392436 0.71188534392436 0.71188534392436 173.054 > 4 5 Mg 0.78378232325635 0.78378232325635 0.21621767674365 24.305 > 5 6 Mg 0.78378232325635 0.21621767674365 0.78378232325635 24.305 > 6 7 Mg 0.21621767674365 0.78378232325635 0.78378232325635 24.305 > 7 8 Mg 0.21621767674365 0.21621767674365 0.21621767674365 24.305 > 8 9 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 9 10 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 10 11 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 11 12 H 0.00000000000000 0.50000000000000 0.24101893551700 1.008 > 12 13 H 0.50000000000000 0.75898106448300 0.00000000000000 1.008 > 13 14 H 0.75898106448300 0.00000000000000 0.50000000000000 1.008 > 14 15 H 0.00000000000000 0.75898106448300 0.50000000000000 1.008 > 15 16 H 0.50000000000000 0.00000000000000 0.24101893551700 1.008 > 16 17 H 0.75898106448300 0.50000000000000 0.00000000000000 1.008 > 17 18 H 0.00000000000000 0.50000000000000 0.75898106448300 1.008 > 18 19 H 0.50000000000000 0.24101893551700 0.00000000000000 1.008 > 19 20 H 0.00000000000000 0.24101893551700 0.50000000000000 1.008 > 20 21 H 0.50000000000000 0.00000000000000 0.75898106448300 1.008 > 21 22 H 0.24101893551700 0.00000000000000 0.50000000000000 1.008 > 22 23 H 0.24101893551700 0.50000000000000 0.00000000000000 1.008 > 23 24 H 0.00000000000000 0.00000000000000 0.25993261203048 1.008 > 24 25 H 0.00000000000000 0.74006738796952 0.00000000000000 1.008 > 25 26 H 0.74006738796952 0.00000000000000 0.00000000000000 1.008 > 26 27 H 0.00000000000000 0.00000000000000 0.74006738796952 1.008 > 27 28 H 0.00000000000000 0.25993261203048 0.00000000000000 1.008 > 28 29 H 0.25993261203048 0.00000000000000 0.00000000000000 1.008 > 29 30 H 0.62128708466912 0.62128708466912 0.37871291533088 1.008 > 30 31 H 0.62128708466912 0.37871291533088 0.62128708466912 1.008 > 31 32 H 0.37871291533088 0.62128708466912 0.62128708466912 1.008 > 32 33 H 0.37871291533088 0.37871291533088 0.37871291533088 1.008 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2459408 0.0000000 0.0000000 0.0000000 5.2459408 0.0000000 0.0000000 0.0000000 5.2459408 -------------------------- Born effective charges -------------------------- 1 Yb 2.1068305 -0.0222930 0.0222930 -0.0222930 2.1068305 0.0222930 0.0222930 0.0222930 2.1068305 2 Yb 2.1068305 0.0222930 -0.0222930 0.0222930 2.1068305 0.0222930 -0.0222930 0.0222930 2.1068305 3 Yb 2.1068305 0.0222930 0.0222930 0.0222930 2.1068305 -0.0222930 0.0222930 -0.0222930 2.1068305 4 Yb 2.1068305 -0.0222930 -0.0222930 -0.0222930 2.1068305 -0.0222930 -0.0222930 -0.0222930 2.1068305 5 Mg 1.8812047 -0.2611619 0.2611619 -0.2611619 1.8812047 0.2611619 0.2611619 0.2611619 1.8812047 6 Mg 1.8812047 0.2611619 -0.2611619 0.2611619 1.8812047 0.2611619 -0.2611619 0.2611619 1.8812047 7 Mg 1.8812047 0.2611619 0.2611619 0.2611619 1.8812047 -0.2611619 0.2611619 -0.2611619 1.8812047 8 Mg 1.8812047 -0.2611619 -0.2611619 -0.2611619 1.8812047 -0.2611619 -0.2611619 -0.2611619 1.8812047 9 Fe -2.6567462 0.0000000 0.0000000 0.0000000 -2.6567462 0.0000000 0.0000000 0.0000000 -2.7647939 10 Fe -2.6567462 0.0000000 0.0000000 0.0000000 -2.7647939 0.0000000 0.0000000 0.0000000 -2.6567462 11 Fe -2.7647939 0.0000000 0.0000000 0.0000000 -2.6567462 0.0000000 0.0000000 0.0000000 -2.6567462 12 H -0.0118782 -0.0700571 0.0000000 -0.0889079 0.0182912 0.0000000 0.0000000 0.0000000 -0.7621687 13 H 0.0182912 0.0000000 0.0889079 0.0000000 -0.7621687 0.0000000 0.0700571 0.0000000 -0.0118782 14 H -0.7621687 0.0000000 0.0000000 0.0000000 -0.0118782 0.0700571 0.0000000 0.0889079 0.0182912 15 H -0.0118782 0.0000000 0.0700571 0.0000000 -0.7621687 0.0000000 0.0889079 0.0000000 0.0182912 16 H 0.0182912 -0.0889079 0.0000000 -0.0700571 -0.0118782 0.0000000 0.0000000 0.0000000 -0.7621687 17 H -0.7621687 0.0000000 0.0000000 0.0000000 0.0182912 0.0889079 0.0000000 0.0700571 -0.0118782 18 H -0.0118782 0.0700571 0.0000000 0.0889079 0.0182912 0.0000000 0.0000000 0.0000000 -0.7621687 19 H 0.0182912 0.0000000 -0.0889079 0.0000000 -0.7621687 0.0000000 -0.0700571 0.0000000 -0.0118782 20 H -0.0118782 0.0000000 -0.0700571 0.0000000 -0.7621687 0.0000000 -0.0889079 0.0000000 0.0182912 21 H 0.0182912 0.0889079 0.0000000 0.0700571 -0.0118782 0.0000000 0.0000000 0.0000000 -0.7621687 22 H -0.7621687 0.0000000 0.0000000 0.0000000 -0.0118782 -0.0700571 0.0000000 -0.0889079 0.0182912 23 H -0.7621687 0.0000000 0.0000000 0.0000000 0.0182912 -0.0889079 0.0000000 -0.0700571 -0.0118782 24 H 0.0523066 0.0261946 0.0000000 0.0261946 0.0523066 0.0000000 0.0000000 0.0000000 -0.7781403 25 H 0.0523066 0.0000000 -0.0261946 0.0000000 -0.7781403 0.0000000 -0.0261946 0.0000000 0.0523066 26 H -0.7781403 0.0000000 0.0000000 0.0000000 0.0523066 -0.0261946 0.0000000 -0.0261946 0.0523066 27 H 0.0523066 -0.0261946 0.0000000 -0.0261946 0.0523066 0.0000000 0.0000000 0.0000000 -0.7781403 28 H 0.0523066 0.0000000 0.0261946 0.0000000 -0.7781403 0.0000000 0.0261946 0.0000000 0.0523066 29 H -0.7781403 0.0000000 0.0000000 0.0000000 0.0523066 0.0261946 0.0000000 0.0261946 0.0523066 30 H -0.8759444 0.0331607 -0.0331607 0.0331607 -0.8759444 -0.0331607 -0.0331607 -0.0331607 -0.8759444 31 H -0.8759444 -0.0331607 0.0331607 -0.0331607 -0.8759444 -0.0331607 0.0331607 -0.0331607 -0.8759444 32 H -0.8759444 -0.0331607 -0.0331607 -0.0331607 -0.8759444 0.0331607 -0.0331607 0.0331607 -0.8759444 33 H -0.8759444 0.0331607 0.0331607 0.0331607 -0.8759444 0.0331607 0.0331607 0.0331607 -0.8759444 ---------------------------------------------------------------------------- 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[ 5, 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 12, 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[ 24, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 30, 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 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 21:07:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:07:56]------------------------- 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: P-43m (215) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.499575230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.499575230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.499575230000000 Atomic positions (fractional): 1 Yb 0.28811465607564 0.28811465607564 0.71188534392436 173.054 2 Yb 0.28811465607564 0.71188534392436 0.28811465607564 173.054 3 Yb 0.71188534392436 0.28811465607564 0.28811465607564 173.054 4 Yb 0.71188534392436 0.71188534392436 0.71188534392436 173.054 5 Mg 0.78378232325635 0.78378232325635 0.21621767674365 24.305 6 Mg 0.78378232325635 0.21621767674365 0.78378232325635 24.305 7 Mg 0.21621767674365 0.78378232325635 0.78378232325635 24.305 8 Mg 0.21621767674365 0.21621767674365 0.21621767674365 24.305 9 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 10 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 11 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 12 H 0.00000000000000 0.50000000000000 0.24101893551700 1.008 13 H 0.50000000000000 0.75898106448300 0.00000000000000 1.008 14 H 0.75898106448300 0.00000000000000 0.50000000000000 1.008 15 H 0.00000000000000 0.75898106448300 0.50000000000000 1.008 16 H 0.50000000000000 0.00000000000000 0.24101893551700 1.008 17 H 0.75898106448300 0.50000000000000 0.00000000000000 1.008 18 H 0.00000000000000 0.50000000000000 0.75898106448300 1.008 19 H 0.50000000000000 0.24101893551700 0.00000000000000 1.008 20 H 0.00000000000000 0.24101893551700 0.50000000000000 1.008 21 H 0.50000000000000 0.00000000000000 0.75898106448300 1.008 22 H 0.24101893551700 0.00000000000000 0.50000000000000 1.008 23 H 0.24101893551700 0.50000000000000 0.00000000000000 1.008 24 H 0.00000000000000 0.00000000000000 0.25993261203048 1.008 25 H 0.00000000000000 0.74006738796952 0.00000000000000 1.008 26 H 0.74006738796952 0.00000000000000 0.00000000000000 1.008 27 H 0.00000000000000 0.00000000000000 0.74006738796952 1.008 28 H 0.00000000000000 0.25993261203048 0.00000000000000 1.008 29 H 0.25993261203048 0.00000000000000 0.00000000000000 1.008 30 H 0.62128708466912 0.62128708466912 0.37871291533088 1.008 31 H 0.62128708466912 0.37871291533088 0.62128708466912 1.008 32 H 0.37871291533088 0.62128708466912 0.62128708466912 1.008 33 H 0.37871291533088 0.37871291533088 0.37871291533088 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.499575230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.499575230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.499575230000000 Atomic positions (fractional): 1 Yb 0.28811465607564 0.28811465607564 0.71188534392436 173.054 > 1 2 Yb 0.28811465607564 0.71188534392436 0.28811465607564 173.054 > 2 3 Yb 0.71188534392436 0.28811465607564 0.28811465607564 173.054 > 3 4 Yb 0.71188534392436 0.71188534392436 0.71188534392436 173.054 > 4 5 Mg 0.78378232325635 0.78378232325635 0.21621767674365 24.305 > 5 6 Mg 0.78378232325635 0.21621767674365 0.78378232325635 24.305 > 6 7 Mg 0.21621767674365 0.78378232325635 0.78378232325635 24.305 > 7 8 Mg 0.21621767674365 0.21621767674365 0.21621767674365 24.305 > 8 9 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 9 10 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 10 11 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 11 12 H 0.00000000000000 0.50000000000000 0.24101893551700 1.008 > 12 13 H 0.50000000000000 0.75898106448300 0.00000000000000 1.008 > 13 14 H 0.75898106448300 0.00000000000000 0.50000000000000 1.008 > 14 15 H 0.00000000000000 0.75898106448300 0.50000000000000 1.008 > 15 16 H 0.50000000000000 0.00000000000000 0.24101893551700 1.008 > 16 17 H 0.75898106448300 0.50000000000000 0.00000000000000 1.008 > 17 18 H 0.00000000000000 0.50000000000000 0.75898106448300 1.008 > 18 19 H 0.50000000000000 0.24101893551700 0.00000000000000 1.008 > 19 20 H 0.00000000000000 0.24101893551700 0.50000000000000 1.008 > 20 21 H 0.50000000000000 0.00000000000000 0.75898106448300 1.008 > 21 22 H 0.24101893551700 0.00000000000000 0.50000000000000 1.008 > 22 23 H 0.24101893551700 0.50000000000000 0.00000000000000 1.008 > 23 24 H 0.00000000000000 0.00000000000000 0.25993261203048 1.008 > 24 25 H 0.00000000000000 0.74006738796952 0.00000000000000 1.008 > 25 26 H 0.74006738796952 0.00000000000000 0.00000000000000 1.008 > 26 27 H 0.00000000000000 0.00000000000000 0.74006738796952 1.008 > 27 28 H 0.00000000000000 0.25993261203048 0.00000000000000 1.008 > 28 29 H 0.25993261203048 0.00000000000000 0.00000000000000 1.008 > 29 30 H 0.62128708466912 0.62128708466912 0.37871291533088 1.008 > 30 31 H 0.62128708466912 0.37871291533088 0.62128708466912 1.008 > 31 32 H 0.37871291533088 0.62128708466912 0.62128708466912 1.008 > 32 33 H 0.37871291533088 0.37871291533088 0.37871291533088 1.008 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2459408 0.0000000 0.0000000 0.0000000 5.2459408 0.0000000 0.0000000 0.0000000 5.2459408 -------------------------- Born effective charges -------------------------- 1 Yb 2.1068305 -0.0222930 0.0222930 -0.0222930 2.1068305 0.0222930 0.0222930 0.0222930 2.1068305 2 Yb 2.1068305 0.0222930 -0.0222930 0.0222930 2.1068305 0.0222930 -0.0222930 0.0222930 2.1068305 3 Yb 2.1068305 0.0222930 0.0222930 0.0222930 2.1068305 -0.0222930 0.0222930 -0.0222930 2.1068305 4 Yb 2.1068305 -0.0222930 -0.0222930 -0.0222930 2.1068305 -0.0222930 -0.0222930 -0.0222930 2.1068305 5 Mg 1.8812047 -0.2611619 0.2611619 -0.2611619 1.8812047 0.2611619 0.2611619 0.2611619 1.8812047 6 Mg 1.8812047 0.2611619 -0.2611619 0.2611619 1.8812047 0.2611619 -0.2611619 0.2611619 1.8812047 7 Mg 1.8812047 0.2611619 0.2611619 0.2611619 1.8812047 -0.2611619 0.2611619 -0.2611619 1.8812047 8 Mg 1.8812047 -0.2611619 -0.2611619 -0.2611619 1.8812047 -0.2611619 -0.2611619 -0.2611619 1.8812047 9 Fe -2.6567462 0.0000000 0.0000000 0.0000000 -2.6567462 0.0000000 0.0000000 0.0000000 -2.7647939 10 Fe -2.6567462 0.0000000 0.0000000 0.0000000 -2.7647939 0.0000000 0.0000000 0.0000000 -2.6567462 11 Fe -2.7647939 0.0000000 0.0000000 0.0000000 -2.6567462 0.0000000 0.0000000 0.0000000 -2.6567462 12 H -0.0118782 -0.0700571 0.0000000 -0.0889079 0.0182912 0.0000000 0.0000000 0.0000000 -0.7621687 13 H 0.0182912 0.0000000 0.0889079 0.0000000 -0.7621687 0.0000000 0.0700571 0.0000000 -0.0118782 14 H -0.7621687 0.0000000 0.0000000 0.0000000 -0.0118782 0.0700571 0.0000000 0.0889079 0.0182912 15 H -0.0118782 0.0000000 0.0700571 0.0000000 -0.7621687 0.0000000 0.0889079 0.0000000 0.0182912 16 H 0.0182912 -0.0889079 0.0000000 -0.0700571 -0.0118782 0.0000000 0.0000000 0.0000000 -0.7621687 17 H -0.7621687 0.0000000 0.0000000 0.0000000 0.0182912 0.0889079 0.0000000 0.0700571 -0.0118782 18 H -0.0118782 0.0700571 0.0000000 0.0889079 0.0182912 0.0000000 0.0000000 0.0000000 -0.7621687 19 H 0.0182912 0.0000000 -0.0889079 0.0000000 -0.7621687 0.0000000 -0.0700571 0.0000000 -0.0118782 20 H -0.0118782 0.0000000 -0.0700571 0.0000000 -0.7621687 0.0000000 -0.0889079 0.0000000 0.0182912 21 H 0.0182912 0.0889079 0.0000000 0.0700571 -0.0118782 0.0000000 0.0000000 0.0000000 -0.7621687 22 H -0.7621687 0.0000000 0.0000000 0.0000000 -0.0118782 -0.0700571 0.0000000 -0.0889079 0.0182912 23 H -0.7621687 0.0000000 0.0000000 0.0000000 0.0182912 -0.0889079 0.0000000 -0.0700571 -0.0118782 24 H 0.0523066 0.0261946 0.0000000 0.0261946 0.0523066 0.0000000 0.0000000 0.0000000 -0.7781403 25 H 0.0523066 0.0000000 -0.0261946 0.0000000 -0.7781403 0.0000000 -0.0261946 0.0000000 0.0523066 26 H -0.7781403 0.0000000 0.0000000 0.0000000 0.0523066 -0.0261946 0.0000000 -0.0261946 0.0523066 27 H 0.0523066 -0.0261946 0.0000000 -0.0261946 0.0523066 0.0000000 0.0000000 0.0000000 -0.7781403 28 H 0.0523066 0.0000000 0.0261946 0.0000000 -0.7781403 0.0000000 0.0261946 0.0000000 0.0523066 29 H -0.7781403 0.0000000 0.0000000 0.0000000 0.0523066 0.0261946 0.0000000 0.0261946 0.0523066 30 H -0.8759444 0.0331607 -0.0331607 0.0331607 -0.8759444 -0.0331607 -0.0331607 -0.0331607 -0.8759444 31 H -0.8759444 -0.0331607 0.0331607 -0.0331607 -0.8759444 -0.0331607 0.0331607 -0.0331607 -0.8759444 32 H -0.8759444 -0.0331607 -0.0331607 -0.0331607 -0.8759444 0.0331607 -0.0331607 0.0331607 -0.8759444 33 H -0.8759444 0.0331607 0.0331607 0.0331607 -0.8759444 0.0331607 0.0331607 0.0331607 -0.8759444 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] 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: 0.64, Number of G-points: 305, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/35) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 35 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 2.573 ( -0.000 -0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 -0.000 0.000) 0.000 2.624 ( -0.000 -0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 -0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 -0.000 0.000) 0.000 4.523 ( 0.000 -0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.378 ( -0.000 -0.000 0.000) 0.000 6.378 ( 0.000 -0.000 0.000) 0.000 6.784 ( 0.000 -0.000 0.000) 0.000 6.784 ( 0.000 -0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 6.962 ( -0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 -0.000 0.000) 0.000 8.576 ( -0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 11.144 ( 0.000 -0.000 0.000) 0.000 11.144 ( 0.000 -0.000 0.000) 0.000 11.144 ( 0.000 0.000 0.000) 0.000 14.449 ( 0.000 -0.000 0.000) 0.000 14.449 ( 0.000 -0.000 0.000) 0.000 14.449 ( 0.000 -0.000 0.000) 0.000 17.699 ( 0.000 0.000 0.000) 0.000 17.699 ( 0.000 0.000 0.000) 0.000 17.699 ( -0.000 -0.000 0.000) 0.000 21.573 ( -0.000 -0.000 0.000) 0.000 21.573 ( -0.000 -0.000 0.000) 0.000 21.573 ( 0.000 0.000 0.000) 0.000 22.700 ( 0.000 0.000 0.000) 0.000 22.700 ( 0.000 0.000 0.000) 0.000 22.700 ( 0.000 0.000 0.000) 0.000 24.441 ( 0.000 0.000 0.000) 0.000 24.441 ( 0.000 0.000 0.000) 0.000 24.441 ( 0.000 0.000 0.000) 0.000 24.490 ( 0.000 0.000 0.000) 0.000 24.490 ( 0.000 -0.000 0.000) 0.000 24.490 ( 0.000 -0.000 0.000) 0.000 26.567 ( 0.000 -0.000 0.000) 0.000 26.567 ( 0.000 -0.000 0.000) 0.000 26.567 ( 0.000 -0.000 0.000) 0.000 27.040 ( 0.000 0.000 0.000) 0.000 27.040 ( 0.000 0.000 0.000) 0.000 27.040 ( 0.000 0.000 0.000) 0.000 27.959 ( -0.000 -0.000 0.000) 0.000 27.959 ( 0.000 0.000 0.000) 0.000 29.177 ( 0.000 0.000 0.000) 0.000 29.177 ( 0.000 0.000 0.000) 0.000 29.177 ( 0.000 -0.000 0.000) 0.000 29.243 ( 0.000 -0.000 0.000) 0.000 29.243 ( -0.000 -0.000 0.000) 0.000 29.243 ( 0.000 -0.000 0.000) 0.000 30.787 ( 0.000 -0.000 0.000) 0.000 30.787 ( 0.000 0.000 0.000) 0.000 30.787 ( -0.000 -0.000 0.000) 0.000 35.339 ( 0.000 -0.000 0.000) 0.000 35.339 ( 0.000 0.000 0.000) 0.000 35.339 ( 0.000 0.000 0.000) 0.000 35.977 ( -0.000 -0.000 0.000) 0.000 35.977 ( 0.000 0.000 0.000) 0.000 35.977 ( 0.000 -0.000 0.000) 0.000 39.914 ( 0.000 0.000 0.000) 0.000 39.914 ( 0.000 -0.000 0.000) 0.000 39.914 ( 0.000 0.000 0.000) 0.000 41.831 ( 0.000 0.000 0.000) 0.000 51.170 ( 0.000 0.000 0.000) 0.000 51.170 ( 0.000 0.000 0.000) 0.000 51.170 ( -0.000 -0.000 0.000) 0.000 51.444 ( 0.000 0.000 0.000) 0.000 51.444 ( 0.000 -0.000 0.000) 0.000 51.444 ( 0.000 0.000 0.000) 0.000 52.425 ( -0.000 -0.000 0.000) 0.000 52.425 ( 0.000 0.000 0.000) 0.000 52.425 ( 0.000 0.000 0.000) 0.000 53.896 ( 0.000 -0.000 0.000) 0.000 53.896 ( 0.000 0.000 0.000) 0.000 54.036 ( 0.000 0.000 0.000) 0.000 54.930 ( 0.000 -0.000 0.000) 0.000 54.930 ( 0.000 0.000 0.000) 0.000 55.008 ( 0.000 -0.000 0.000) 0.000 55.601 ( 0.000 -0.000 0.000) 0.000 55.601 ( 0.000 0.000 0.000) 0.000 56.689 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/35) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 28.354 0.000 0.000) 28.354 0.559 ( 28.354 0.000 0.000) 28.354 0.911 ( 45.698 0.000 0.000) 45.698 2.516 ( -4.889 0.000 0.000) 4.889 2.516 ( -4.889 0.000 0.000) 4.889 2.582 ( 0.867 0.000 0.000) 0.867 2.645 ( 1.082 0.000 0.000) 1.082 2.653 ( 1.956 0.000 0.000) 1.956 2.653 ( 1.956 0.000 0.000) 1.956 2.917 ( -5.570 0.000 0.000) 5.570 2.947 ( -2.472 0.000 0.000) 2.472 2.973 ( -1.224 0.000 0.000) 1.224 4.293 ( 3.879 0.000 0.000) 3.879 4.314 ( 5.649 0.000 0.000) 5.649 4.314 ( 5.649 0.000 0.000) 5.649 4.559 ( 3.892 0.000 0.000) 3.892 4.559 ( 3.892 0.000 0.000) 3.892 4.995 ( 1.958 0.000 0.000) 1.958 6.382 ( 0.442 0.000 0.000) 0.442 6.382 ( 0.442 0.000 0.000) 0.442 6.428 ( 4.994 0.000 0.000) 4.994 6.784 ( -0.229 0.000 0.000) 0.229 6.784 ( -0.229 0.000 0.000) 0.229 6.897 ( -4.862 0.000 0.000) 4.862 6.938 ( -2.312 0.000 0.000) 2.312 6.938 ( -2.312 0.000 0.000) 2.312 8.422 ( -5.740 0.000 0.000) 5.740 8.529 ( -4.639 0.000 0.000) 4.639 8.529 ( -4.639 0.000 0.000) 4.639 8.568 ( -3.994 0.000 0.000) 3.994 8.704 ( 6.213 0.000 0.000) 6.213 8.948 ( 0.695 0.000 0.000) 0.695 9.673 ( -1.163 0.000 0.000) 1.163 11.153 ( 0.948 0.000 0.000) 0.948 11.256 ( 11.267 0.000 0.000) 11.267 11.256 ( 11.267 0.000 0.000) 11.267 14.355 ( -9.547 0.000 0.000) 9.547 14.355 ( -9.547 0.000 0.000) 9.547 14.603 ( 0.545 0.000 0.000) 0.545 17.698 ( -0.169 0.000 0.000) 0.169 17.703 ( 0.316 0.000 0.000) 0.316 17.703 ( 0.316 0.000 0.000) 0.316 21.577 ( 0.342 0.000 0.000) 0.342 21.613 ( 4.129 0.000 0.000) 4.129 21.613 ( 4.129 0.000 0.000) 4.129 22.652 ( -4.892 0.000 0.000) 4.892 22.652 ( -4.892 0.000 0.000) 4.892 22.712 ( 0.554 0.000 0.000) 0.554 24.356 ( -4.884 0.000 0.000) 4.884 24.356 ( -4.884 0.000 0.000) 4.884 24.443 ( 0.151 0.000 0.000) 0.151 24.488 ( -0.220 0.000 0.000) 0.220 24.585 ( 5.768 0.000 0.000) 5.768 24.585 ( 5.768 0.000 0.000) 5.768 26.564 ( -0.265 0.000 0.000) 0.265 26.564 ( -0.265 0.000 0.000) 0.265 27.044 ( 0.354 0.000 0.000) 0.354 27.045 ( 0.447 0.000 0.000) 0.447 27.045 ( 0.447 0.000 0.000) 0.447 27.864 ( 0.418 0.000 0.000) 0.418 27.942 ( -1.707 0.000 0.000) 1.707 27.958 ( -0.115 0.000 0.000) 0.115 29.179 ( 0.181 0.000 0.000) 0.181 29.180 ( 0.266 0.000 0.000) 0.266 29.180 ( 0.266 0.000 0.000) 0.266 29.241 ( -0.173 0.000 0.000) 0.173 29.241 ( -0.173 0.000 0.000) 0.173 29.259 ( 0.337 0.000 0.000) 0.337 30.786 ( -0.147 0.000 0.000) 0.147 30.786 ( -0.147 0.000 0.000) 0.147 30.818 ( -0.169 0.000 0.000) 0.169 35.339 ( 0.020 0.000 0.000) 0.020 35.339 ( 0.053 0.000 0.000) 0.053 35.339 ( 0.053 0.000 0.000) 0.053 35.974 ( -0.211 0.000 0.000) 0.211 35.974 ( -0.211 0.000 0.000) 0.211 35.985 ( -0.002 0.000 0.000) 0.002 39.916 ( 0.204 0.000 0.000) 0.204 39.916 ( 0.204 0.000 0.000) 0.204 40.210 ( -0.712 0.000 0.000) 0.712 41.835 ( 0.435 0.000 0.000) 0.435 51.154 ( -1.609 0.000 0.000) 1.609 51.181 ( 1.088 0.000 0.000) 1.088 51.181 ( 1.088 0.000 0.000) 1.088 51.434 ( -1.052 0.000 0.000) 1.052 51.434 ( -1.052 0.000 0.000) 1.052 51.778 ( -1.445 0.000 0.000) 1.445 52.424 ( -0.039 0.000 0.000) 0.039 52.424 ( -0.039 0.000 0.000) 0.039 52.913 ( -8.757 0.000 0.000) 8.757 53.911 ( 1.086 0.000 0.000) 1.086 53.987 ( 8.556 0.000 0.000) 8.556 54.086 ( 5.447 0.000 0.000) 5.447 54.931 ( 0.120 0.000 0.000) 0.120 54.988 ( -1.903 0.000 0.000) 1.903 55.009 ( 7.642 0.000 0.000) 7.642 55.551 ( -5.101 0.000 0.000) 5.101 55.595 ( -0.492 0.000 0.000) 0.492 56.649 ( -4.119 0.000 0.000) 4.119 ======================= Grid point 2 (3/35) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 25.411 0.000 0.000) 25.411 1.079 ( 25.411 0.000 0.000) 25.411 1.719 ( 37.102 0.000 0.000) 37.102 2.390 ( -8.289 0.000 0.000) 8.289 2.390 ( -8.289 0.000 0.000) 8.289 2.600 ( 0.860 0.000 0.000) 0.860 2.674 ( 1.547 0.000 0.000) 1.547 2.688 ( 1.624 0.000 0.000) 1.624 2.688 ( 1.624 0.000 0.000) 1.624 2.787 ( -6.605 0.000 0.000) 6.605 2.890 ( -3.114 0.000 0.000) 3.114 2.942 ( -1.819 0.000 0.000) 1.819 4.386 ( 5.268 0.000 0.000) 5.268 4.426 ( 4.931 0.000 0.000) 4.931 4.426 ( 4.931 0.000 0.000) 4.931 4.685 ( 9.127 0.000 0.000) 9.127 4.685 ( 9.127 0.000 0.000) 9.127 5.035 ( 1.780 0.000 0.000) 1.780 6.397 ( 1.120 0.000 0.000) 1.120 6.397 ( 1.120 0.000 0.000) 1.120 6.556 ( 7.768 0.000 0.000) 7.768 6.758 ( -3.066 0.000 0.000) 3.066 6.758 ( -3.066 0.000 0.000) 3.066 6.767 ( -8.158 0.000 0.000) 8.158 6.893 ( -1.539 0.000 0.000) 1.539 6.893 ( -1.539 0.000 0.000) 1.539 8.328 ( -3.870 0.000 0.000) 3.870 8.417 ( -6.357 0.000 0.000) 6.357 8.417 ( -6.357 0.000 0.000) 6.357 8.464 ( -6.382 0.000 0.000) 6.382 8.808 ( 4.259 0.000 0.000) 4.259 8.972 ( 1.823 0.000 0.000) 1.823 9.643 ( -1.803 0.000 0.000) 1.803 11.177 ( 1.347 0.000 0.000) 1.347 11.550 ( 18.294 0.000 0.000) 18.294 11.550 ( 18.294 0.000 0.000) 18.294 14.100 ( -16.234 0.000 0.000) 16.234 14.100 ( -16.234 0.000 0.000) 16.234 14.616 ( 0.763 0.000 0.000) 0.763 17.694 ( -0.243 0.000 0.000) 0.243 17.710 ( 0.427 0.000 0.000) 0.427 17.710 ( 0.427 0.000 0.000) 0.427 21.585 ( 0.487 0.000 0.000) 0.487 21.728 ( 7.630 0.000 0.000) 7.630 21.728 ( 7.630 0.000 0.000) 7.630 22.519 ( -8.688 0.000 0.000) 8.688 22.519 ( -8.688 0.000 0.000) 8.688 22.726 ( 0.786 0.000 0.000) 0.786 24.276 ( -3.374 0.000 0.000) 3.374 24.276 ( -3.374 0.000 0.000) 3.374 24.447 ( 0.218 0.000 0.000) 0.218 24.482 ( -0.315 0.000 0.000) 0.315 24.686 ( 4.582 0.000 0.000) 4.582 24.686 ( 4.582 0.000 0.000) 4.582 26.557 ( -0.361 0.000 0.000) 0.361 26.557 ( -0.361 0.000 0.000) 0.361 27.053 ( 0.522 0.000 0.000) 0.522 27.056 ( 0.625 0.000 0.000) 0.625 27.056 ( 0.625 0.000 0.000) 0.625 27.875 ( 0.660 0.000 0.000) 0.660 27.900 ( -2.404 0.000 0.000) 2.404 27.955 ( -0.233 0.000 0.000) 0.233 29.183 ( 0.221 0.000 0.000) 0.221 29.187 ( 0.445 0.000 0.000) 0.445 29.187 ( 0.445 0.000 0.000) 0.445 29.236 ( -0.319 0.000 0.000) 0.319 29.236 ( -0.319 0.000 0.000) 0.319 29.267 ( 0.479 0.000 0.000) 0.479 30.782 ( -0.203 0.000 0.000) 0.203 30.782 ( -0.203 0.000 0.000) 0.203 30.813 ( -0.241 0.000 0.000) 0.241 35.339 ( 0.027 0.000 0.000) 0.027 35.341 ( 0.075 0.000 0.000) 0.075 35.341 ( 0.075 0.000 0.000) 0.075 35.969 ( -0.297 0.000 0.000) 0.297 35.969 ( -0.297 0.000 0.000) 0.297 35.985 ( -0.003 0.000 0.000) 0.003 39.921 ( 0.287 0.000 0.000) 0.287 39.921 ( 0.287 0.000 0.000) 0.287 40.193 ( -0.991 0.000 0.000) 0.991 41.846 ( 0.599 0.000 0.000) 0.599 51.116 ( -2.133 0.000 0.000) 2.133 51.211 ( 2.003 0.000 0.000) 2.003 51.211 ( 2.003 0.000 0.000) 2.003 51.405 ( -1.953 0.000 0.000) 1.953 51.405 ( -1.953 0.000 0.000) 1.953 51.746 ( -1.662 0.000 0.000) 1.662 52.424 ( -0.055 0.000 0.000) 0.055 52.424 ( -0.055 0.000 0.000) 0.055 52.722 ( -10.008 0.000 0.000) 10.008 53.925 ( 0.386 0.000 0.000) 0.386 54.187 ( 11.429 0.000 0.000) 11.429 54.244 ( 10.479 0.000 0.000) 10.479 54.927 ( -4.330 0.000 0.000) 4.330 54.935 ( 0.366 0.000 0.000) 0.366 55.201 ( 11.183 0.000 0.000) 11.183 55.411 ( -9.181 0.000 0.000) 9.181 55.587 ( -0.153 0.000 0.000) 0.153 56.538 ( -7.189 0.000 0.000) 7.189 ======================= Grid point 3 (4/35) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 21.052 0.000 0.000) 21.052 1.528 ( 21.052 0.000 0.000) 21.052 2.195 ( -12.052 0.000 0.000) 12.052 2.195 ( -12.052 0.000 0.000) 12.052 2.274 ( 18.858 0.000 0.000) 18.858 2.611 ( 0.180 0.000 0.000) 0.180 2.628 ( -4.808 0.000 0.000) 4.808 2.713 ( 0.932 0.000 0.000) 0.932 2.713 ( 0.932 0.000 0.000) 0.932 2.779 ( 4.975 0.000 0.000) 4.975 2.841 ( -1.768 0.000 0.000) 1.768 2.910 ( -1.295 0.000 0.000) 1.295 4.475 ( 3.578 0.000 0.000) 3.578 4.494 ( 2.267 0.000 0.000) 2.267 4.494 ( 2.267 0.000 0.000) 2.267 4.867 ( 8.270 0.000 0.000) 8.270 4.867 ( 8.270 0.000 0.000) 8.270 5.054 ( 0.154 0.000 0.000) 0.154 6.428 ( 2.204 0.000 0.000) 2.204 6.428 ( 2.204 0.000 0.000) 2.204 6.614 ( -6.698 0.000 0.000) 6.698 6.668 ( -5.463 0.000 0.000) 5.463 6.668 ( -5.463 0.000 0.000) 5.463 6.699 ( 6.250 0.000 0.000) 6.250 6.885 ( 0.250 0.000 0.000) 0.250 6.885 ( 0.250 0.000 0.000) 0.250 8.274 ( -1.797 0.000 0.000) 1.797 8.308 ( -4.445 0.000 0.000) 4.445 8.308 ( -4.445 0.000 0.000) 4.445 8.345 ( -5.281 0.000 0.000) 5.281 8.865 ( 1.785 0.000 0.000) 1.785 9.012 ( 1.940 0.000 0.000) 1.940 9.610 ( -1.427 0.000 0.000) 1.427 11.200 ( 0.957 0.000 0.000) 0.957 11.906 ( 16.805 0.000 0.000) 16.805 11.906 ( 16.805 0.000 0.000) 16.805 13.776 ( -15.542 0.000 0.000) 15.542 13.776 ( -15.542 0.000 0.000) 15.542 14.629 ( 0.534 0.000 0.000) 0.534 17.689 ( -0.174 0.000 0.000) 0.174 17.717 ( 0.289 0.000 0.000) 0.289 17.717 ( 0.289 0.000 0.000) 0.289 21.594 ( 0.346 0.000 0.000) 0.346 21.900 ( 9.986 0.000 0.000) 9.986 21.900 ( 9.986 0.000 0.000) 9.986 22.329 ( -10.717 0.000 0.000) 10.717 22.329 ( -10.717 0.000 0.000) 10.717 22.740 ( 0.557 0.000 0.000) 0.557 24.227 ( -1.667 0.000 0.000) 1.667 24.227 ( -1.667 0.000 0.000) 1.667 24.451 ( 0.157 0.000 0.000) 0.157 24.477 ( -0.226 0.000 0.000) 0.226 24.755 ( 2.490 0.000 0.000) 2.490 24.755 ( 2.490 0.000 0.000) 2.490 26.551 ( -0.246 0.000 0.000) 0.246 26.551 ( -0.246 0.000 0.000) 0.246 27.062 ( 0.388 0.000 0.000) 0.388 27.066 ( 0.438 0.000 0.000) 0.438 27.066 ( 0.438 0.000 0.000) 0.438 27.859 ( -1.697 0.000 0.000) 1.697 27.888 ( 0.556 0.000 0.000) 0.556 27.950 ( -0.255 0.000 0.000) 0.255 29.187 ( 0.133 0.000 0.000) 0.133 29.196 ( 0.437 0.000 0.000) 0.437 29.196 ( 0.437 0.000 0.000) 0.437 29.229 ( -0.351 0.000 0.000) 0.351 29.229 ( -0.351 0.000 0.000) 0.351 29.275 ( 0.341 0.000 0.000) 0.341 30.779 ( -0.139 0.000 0.000) 0.139 30.779 ( -0.139 0.000 0.000) 0.139 30.809 ( -0.173 0.000 0.000) 0.173 35.340 ( 0.019 0.000 0.000) 0.019 35.342 ( 0.052 0.000 0.000) 0.052 35.342 ( 0.052 0.000 0.000) 0.052 35.964 ( -0.209 0.000 0.000) 0.209 35.964 ( -0.209 0.000 0.000) 0.209 35.985 ( -0.002 0.000 0.000) 0.002 39.926 ( 0.201 0.000 0.000) 0.201 39.926 ( 0.201 0.000 0.000) 0.201 40.176 ( -0.690 0.000 0.000) 0.690 41.856 ( 0.413 0.000 0.000) 0.413 51.080 ( -1.420 0.000 0.000) 1.420 51.256 ( 2.603 0.000 0.000) 2.603 51.256 ( 2.603 0.000 0.000) 2.603 51.361 ( -2.568 0.000 0.000) 2.568 51.361 ( -2.568 0.000 0.000) 2.568 51.721 ( -0.884 0.000 0.000) 0.884 52.423 ( -0.039 0.000 0.000) 0.039 52.423 ( -0.039 0.000 0.000) 0.039 52.559 ( -6.305 0.000 0.000) 6.305 53.929 ( 0.082 0.000 0.000) 0.082 54.405 ( 10.658 0.000 0.000) 10.658 54.458 ( 10.630 0.000 0.000) 10.630 54.823 ( -6.330 0.000 0.000) 6.330 54.949 ( 1.434 0.000 0.000) 1.434 55.213 ( -10.785 0.000 0.000) 10.785 55.390 ( 6.940 0.000 0.000) 6.940 55.606 ( 2.596 0.000 0.000) 2.596 56.392 ( -7.191 0.000 0.000) 7.191 ======================= Grid point 4 (5/35) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -0.000 0.000 0.000) 0.000 1.832 ( -0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.849 ( -0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.289 ( 0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 9.033 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 11.210 ( 0.000 0.000 0.000) 0.000 12.093 ( 0.000 0.000 0.000) 0.000 12.093 ( 0.000 0.000 0.000) 0.000 13.602 ( 0.000 0.000 0.000) 0.000 13.602 ( 0.000 0.000 0.000) 0.000 14.635 ( 0.000 0.000 0.000) 0.000 17.688 ( 0.000 0.000 0.000) 0.000 17.720 ( 0.000 0.000 0.000) 0.000 17.720 ( 0.000 0.000 0.000) 0.000 21.597 ( 0.000 0.000 0.000) 0.000 22.075 ( 0.000 0.000 0.000) 0.000 22.075 ( 0.000 0.000 0.000) 0.000 22.147 ( -0.000 0.000 0.000) 0.000 22.147 ( -0.000 0.000 0.000) 0.000 22.745 ( 0.000 0.000 0.000) 0.000 24.211 ( 0.000 0.000 0.000) 0.000 24.211 ( 0.000 0.000 0.000) 0.000 24.452 ( 0.000 0.000 0.000) 0.000 24.475 ( 0.000 0.000 0.000) 0.000 24.779 ( 0.000 0.000 0.000) 0.000 24.779 ( 0.000 0.000 0.000) 0.000 26.549 ( 0.000 0.000 0.000) 0.000 26.549 ( 0.000 0.000 0.000) 0.000 27.066 ( 0.000 0.000 0.000) 0.000 27.071 ( 0.000 0.000 0.000) 0.000 27.071 ( 0.000 0.000 0.000) 0.000 27.841 ( 0.000 0.000 0.000) 0.000 27.893 ( 0.000 0.000 0.000) 0.000 27.947 ( 0.000 0.000 0.000) 0.000 29.188 ( 0.000 0.000 0.000) 0.000 29.201 ( 0.000 0.000 0.000) 0.000 29.201 ( 0.000 0.000 0.000) 0.000 29.225 ( 0.000 0.000 0.000) 0.000 29.225 ( 0.000 0.000 0.000) 0.000 29.279 ( 0.000 0.000 0.000) 0.000 30.778 ( 0.000 0.000 0.000) 0.000 30.778 ( 0.000 0.000 0.000) 0.000 30.807 ( 0.000 0.000 0.000) 0.000 35.340 ( 0.000 0.000 0.000) 0.000 35.342 ( 0.000 0.000 0.000) 0.000 35.342 ( 0.000 0.000 0.000) 0.000 35.962 ( 0.000 0.000 0.000) 0.000 35.962 ( 0.000 0.000 0.000) 0.000 35.985 ( 0.000 0.000 0.000) 0.000 39.928 ( 0.000 0.000 0.000) 0.000 39.928 ( 0.000 0.000 0.000) 0.000 40.169 ( 0.000 0.000 0.000) 0.000 41.860 ( 0.000 0.000 0.000) 0.000 51.065 ( 0.000 0.000 0.000) 0.000 51.307 ( 0.000 0.000 0.000) 0.000 51.307 ( 0.000 0.000 0.000) 0.000 51.310 ( -0.000 0.000 0.000) 0.000 51.310 ( -0.000 0.000 0.000) 0.000 51.712 ( 0.000 0.000 0.000) 0.000 52.422 ( 0.000 0.000 0.000) 0.000 52.422 ( 0.000 0.000 0.000) 0.000 52.496 ( 0.000 0.000 0.000) 0.000 53.930 ( 0.000 0.000 0.000) 0.000 54.543 ( 0.000 0.000 0.000) 0.000 54.582 ( 0.000 0.000 0.000) 0.000 54.728 ( 0.000 0.000 0.000) 0.000 54.998 ( -0.000 0.000 0.000) 0.000 55.054 ( 0.000 0.000 0.000) 0.000 55.449 ( 0.000 0.000 0.000) 0.000 55.652 ( 0.000 0.000 0.000) 0.000 56.309 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/35) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 19.598 19.598 0.000) 27.715 0.895 ( 22.105 22.105 0.000) 31.262 1.185 ( 28.420 28.420 0.000) 40.192 2.493 ( -3.079 -3.079 0.000) 4.354 2.493 ( -2.839 -2.839 0.000) 4.015 2.569 ( -0.227 -0.227 0.000) 0.321 2.632 ( -0.210 -0.210 0.000) 0.296 2.662 ( 0.413 0.413 0.000) 0.584 2.685 ( 2.348 2.348 0.000) 3.320 2.896 ( -3.188 -3.188 0.000) 4.508 2.908 ( -2.946 -2.946 0.000) 4.166 2.954 ( -1.443 -1.443 0.000) 2.041 4.280 ( 1.244 1.244 0.000) 1.759 4.369 ( 5.095 5.095 0.000) 7.206 4.412 ( 6.587 6.587 0.000) 9.316 4.586 ( 3.427 3.427 0.000) 4.846 4.602 ( 4.814 4.814 0.000) 6.808 5.041 ( 3.530 3.530 0.000) 4.993 6.385 ( 0.286 0.286 0.000) 0.404 6.400 ( 1.055 1.055 0.000) 1.492 6.454 ( 3.342 3.342 0.000) 4.727 6.756 ( -5.055 -5.055 0.000) 7.149 6.787 ( 0.123 0.123 0.000) 0.174 6.900 ( -2.768 -2.768 0.000) 3.914 6.920 ( 1.785 1.785 0.000) 2.524 6.969 ( 0.959 0.959 0.000) 1.356 8.404 ( -4.883 -4.883 0.000) 6.906 8.409 ( -5.271 -5.271 0.000) 7.454 8.494 ( -3.433 -3.433 0.000) 4.855 8.626 ( 0.395 0.395 0.000) 0.559 8.687 ( 0.378 0.378 0.000) 0.535 8.896 ( -2.114 -2.114 0.000) 2.990 9.662 ( -1.057 -1.057 0.000) 1.495 11.242 ( 5.016 5.016 0.000) 7.094 11.289 ( 7.175 7.175 0.000) 10.147 11.360 ( 10.454 10.454 0.000) 14.785 14.270 ( -8.660 -8.660 0.000) 12.248 14.350 ( -4.993 -4.993 0.000) 7.062 14.515 ( -4.261 -4.261 0.000) 6.025 17.654 ( -2.229 -2.229 0.000) 3.153 17.705 ( 0.274 0.274 0.000) 0.388 17.747 ( 2.281 2.281 0.000) 3.226 21.597 ( 1.251 1.251 0.000) 1.769 21.636 ( 3.129 3.129 0.000) 4.425 21.651 ( 3.898 3.898 0.000) 5.512 22.610 ( -4.287 -4.287 0.000) 6.063 22.648 ( -2.675 -2.675 0.000) 3.783 22.673 ( -1.802 -1.802 0.000) 2.548 24.277 ( -5.537 -5.537 0.000) 7.830 24.326 ( -2.443 -2.443 0.000) 3.456 24.446 ( 0.193 0.193 0.000) 0.273 24.556 ( 3.079 3.079 0.000) 4.354 24.598 ( 2.707 2.707 0.000) 3.828 24.625 ( 3.502 3.502 0.000) 4.953 26.562 ( -0.174 -0.174 0.000) 0.245 26.640 ( 3.757 3.757 0.000) 5.314 27.022 ( -0.925 -0.925 0.000) 1.307 27.049 ( 0.447 0.447 0.000) 0.632 27.074 ( 1.677 1.677 0.000) 2.371 27.802 ( -2.946 -2.946 0.000) 4.166 27.932 ( -1.355 -1.355 0.000) 1.916 27.942 ( -0.924 -0.924 0.000) 1.306 29.173 ( -0.200 -0.200 0.000) 0.283 29.183 ( 0.255 0.255 0.000) 0.361 29.189 ( 0.529 0.529 0.000) 0.749 29.240 ( -0.080 -0.080 0.000) 0.114 29.244 ( 0.063 0.063 0.000) 0.090 29.261 ( 0.291 0.291 0.000) 0.412 30.782 ( -0.251 -0.251 0.000) 0.356 30.785 ( -0.130 -0.130 0.000) 0.184 30.815 ( -0.218 -0.218 0.000) 0.308 35.335 ( -0.224 -0.224 0.000) 0.317 35.340 ( 0.054 0.054 0.000) 0.077 35.343 ( 0.194 0.194 0.000) 0.275 35.970 ( -0.319 -0.319 0.000) 0.451 35.972 ( -0.204 -0.204 0.000) 0.288 35.990 ( 0.255 0.255 0.000) 0.361 39.918 ( 0.240 0.240 0.000) 0.340 39.924 ( 0.529 0.529 0.000) 0.748 40.195 ( -1.099 -1.099 0.000) 1.554 41.839 ( 0.417 0.417 0.000) 0.590 51.099 ( -3.836 -3.836 0.000) 5.424 51.191 ( 1.006 1.006 0.000) 1.423 51.218 ( 2.172 2.172 0.000) 3.071 51.390 ( -2.088 -2.088 0.000) 2.953 51.425 ( -0.971 -0.971 0.000) 1.373 51.832 ( 2.205 2.205 0.000) 3.119 52.344 ( -3.886 -3.886 0.000) 5.496 52.424 ( -0.038 -0.038 0.000) 0.054 52.981 ( -1.094 -1.094 0.000) 1.547 53.973 ( 3.727 3.727 0.000) 5.271 53.983 ( 3.944 3.944 0.000) 5.578 54.126 ( 4.586 4.586 0.000) 6.486 54.968 ( -0.917 -0.917 0.000) 1.296 54.974 ( 1.150 1.150 0.000) 1.626 54.998 ( 3.178 3.178 0.000) 4.494 55.524 ( -3.860 -3.860 0.000) 5.459 55.567 ( -1.699 -1.699 0.000) 2.402 56.608 ( -4.183 -4.183 0.000) 5.916 ======================= Grid point 11 (7/35) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 21.954 11.655 0.000) 24.856 1.293 ( 20.012 18.735 0.000) 27.413 1.813 ( 31.829 9.768 0.000) 33.294 2.393 ( -7.219 0.063 0.000) 7.219 2.399 ( -6.785 0.501 0.000) 6.804 2.578 ( 0.727 -1.728 0.000) 1.875 2.648 ( 1.378 -1.605 0.000) 2.116 2.661 ( -0.527 -2.470 0.000) 2.526 2.729 ( 1.931 2.854 0.000) 3.446 2.799 ( -4.658 0.847 0.000) 4.734 2.864 ( -2.214 -2.548 0.000) 3.376 2.925 ( -1.526 -1.568 0.000) 2.187 4.336 ( 4.005 -2.227 0.000) 4.583 4.469 ( 4.456 4.007 0.000) 5.993 4.511 ( 3.457 5.920 0.000) 6.855 4.708 ( 8.900 2.531 0.000) 9.253 4.747 ( 9.220 5.904 0.000) 10.948 5.116 ( 4.230 7.530 0.000) 8.636 6.393 ( 0.448 -0.700 0.000) 0.831 6.416 ( 0.755 1.476 0.000) 1.658 6.551 ( 5.978 -0.163 0.000) 5.980 6.629 ( -7.100 -7.871 0.000) 10.600 6.764 ( -3.766 -1.114 0.000) 3.928 6.831 ( -3.053 3.008 0.000) 4.285 6.917 ( -2.204 4.623 0.000) 5.121 6.990 ( 1.748 5.942 0.000) 6.193 8.278 ( -5.580 -5.031 0.000) 7.513 8.331 ( -4.418 -5.724 0.000) 7.231 8.407 ( -5.174 -1.559 0.000) 5.404 8.535 ( -7.242 4.673 0.000) 8.619 8.754 ( 4.007 -5.228 0.000) 6.587 8.896 ( 1.529 -6.129 0.000) 6.317 9.636 ( -1.607 -0.739 0.000) 1.769 11.282 ( 1.511 10.533 0.000) 10.641 11.565 ( 18.174 1.682 0.000) 18.251 11.633 ( 16.995 8.357 0.000) 18.939 14.037 ( -14.843 -6.379 0.000) 16.156 14.117 ( -16.499 1.233 0.000) 16.545 14.503 ( 0.895 -10.895 0.000) 10.931 17.616 ( -1.664 -4.207 0.000) 4.525 17.712 ( 0.365 0.168 0.000) 0.402 17.786 ( 1.733 4.049 0.000) 4.405 21.613 ( 0.655 2.740 0.000) 2.817 21.740 ( 7.317 1.404 0.000) 7.451 21.760 ( 7.205 3.240 0.000) 7.899 22.492 ( -7.803 -2.787 0.000) 8.286 22.522 ( -8.714 0.166 0.000) 8.715 22.676 ( 0.644 -4.936 0.000) 4.978 24.180 ( -4.303 -7.290 0.000) 8.465 24.281 ( -2.082 0.488 0.000) 2.138 24.449 ( 0.113 0.188 0.000) 0.220 24.570 ( -0.043 6.544 0.000) 6.544 24.687 ( 4.697 0.040 0.000) 4.697 24.696 ( 3.550 0.955 0.000) 3.676 26.558 ( -0.204 0.081 0.000) 0.219 26.672 ( 0.108 9.726 0.000) 9.726 27.009 ( -0.468 -2.081 0.000) 2.133 27.060 ( 0.589 0.454 0.000) 0.743 27.106 ( 1.545 2.717 0.000) 3.125 27.787 ( 0.865 -8.258 0.000) 8.303 27.893 ( -2.298 -0.739 0.000) 2.413 27.925 ( -1.025 -1.993 0.000) 2.241 29.172 ( 0.015 -0.572 0.000) 0.572 29.189 ( 0.412 0.213 0.000) 0.464 29.199 ( 0.437 0.569 0.000) 0.717 29.238 ( -0.171 0.169 0.000) 0.240 29.242 ( -0.214 0.409 0.000) 0.462 29.269 ( 0.435 0.227 0.000) 0.491 30.778 ( -0.215 -0.404 0.000) 0.458 30.781 ( -0.180 -0.091 0.000) 0.202 30.810 ( -0.240 -0.266 0.000) 0.358 35.331 ( -0.173 -0.520 0.000) 0.549 35.341 ( 0.078 0.056 0.000) 0.096 35.346 ( 0.125 0.241 0.000) 0.271 35.964 ( -0.302 -0.389 0.000) 0.492 35.967 ( -0.289 -0.187 0.000) 0.344 35.994 ( 0.161 0.645 0.000) 0.664 39.924 ( 0.351 0.342 0.000) 0.490 39.933 ( 0.342 1.010 0.000) 1.066 40.174 ( -1.077 -1.688 0.000) 2.002 41.849 ( 0.575 0.375 0.000) 0.687 51.026 ( -3.516 -6.934 0.000) 7.775 51.219 ( 1.852 0.774 0.000) 2.007 51.256 ( 1.763 2.809 0.000) 3.317 51.362 ( -1.211 -2.532 0.000) 2.807 51.398 ( -1.802 -0.739 0.000) 1.948 51.849 ( 0.173 7.790 0.000) 7.792 52.293 ( -2.019 -8.365 0.000) 8.605 52.423 ( -0.054 -0.035 0.000) 0.064 52.871 ( -7.776 8.704 0.000) 11.672 53.986 ( 0.346 6.296 0.000) 6.306 54.174 ( 11.663 -1.040 0.000) 11.710 54.267 ( 9.643 2.612 0.000) 9.990 54.910 ( -4.221 -1.770 0.000) 4.578 54.975 ( 0.051 4.429 0.000) 4.429 55.163 ( 10.565 -3.104 0.000) 11.012 55.395 ( -8.885 -1.786 0.000) 9.062 55.551 ( -0.093 -3.387 0.000) 3.388 56.495 ( -7.312 -4.363 0.000) 8.515 ======================= Grid point 12 (8/35) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 19.231 7.237 0.000) 20.547 1.659 ( 17.621 12.321 0.000) 21.502 2.211 ( -9.305 1.756 0.000) 9.469 2.224 ( -8.605 2.834 0.000) 9.059 2.308 ( 12.594 3.075 0.000) 12.964 2.583 ( -0.832 -2.634 0.000) 2.762 2.614 ( -2.172 -1.125 0.000) 2.446 2.691 ( 1.439 -1.504 0.000) 2.081 2.733 ( -0.195 1.422 0.000) 1.436 2.797 ( 3.364 1.030 0.000) 3.518 2.834 ( -0.420 -0.080 0.000) 0.428 2.902 ( -0.534 -0.710 0.000) 0.888 4.411 ( 3.211 -4.593 0.000) 5.604 4.534 ( 2.390 3.802 0.000) 4.491 4.556 ( 1.404 5.091 0.000) 5.281 4.875 ( 6.190 1.404 0.000) 6.347 4.901 ( 6.603 3.317 0.000) 7.389 5.204 ( 4.568 13.476 0.000) 14.229 6.387 ( -1.720 -7.047 0.000) 7.254 6.436 ( 1.611 0.588 0.000) 1.715 6.520 ( -2.479 -2.577 0.000) 3.576 6.652 ( -2.579 -1.725 0.000) 3.102 6.673 ( 1.348 -1.928 0.000) 2.353 6.755 ( -4.718 7.146 0.000) 8.563 6.898 ( 0.349 1.596 0.000) 1.634 7.019 ( 1.004 9.737 0.000) 9.788 8.197 ( -2.645 -7.281 0.000) 7.747 8.264 ( -2.114 -2.652 0.000) 3.392 8.313 ( -4.135 -0.595 0.000) 4.178 8.392 ( -6.744 3.324 0.000) 7.518 8.814 ( 2.151 -4.960 0.000) 5.406 8.933 ( 1.830 -7.210 0.000) 7.438 9.606 ( -1.238 -0.326 0.000) 1.281 11.308 ( 1.013 10.864 0.000) 10.911 11.922 ( 16.949 1.576 0.000) 17.022 11.963 ( 15.451 5.677 0.000) 16.461 13.742 ( -14.190 -3.563 0.000) 14.630 13.788 ( -15.820 1.073 0.000) 15.857 14.519 ( 0.680 -11.011 0.000) 11.032 17.592 ( -0.883 -5.527 0.000) 5.597 17.718 ( 0.244 0.058 0.000) 0.251 17.812 ( 0.929 5.185 0.000) 5.268 21.624 ( 0.407 3.079 0.000) 3.106 21.907 ( 9.784 0.772 0.000) 9.815 21.922 ( 9.430 2.241 0.000) 9.692 22.319 ( -9.908 -1.047 0.000) 9.963 22.332 ( -10.664 0.242 0.000) 10.667 22.688 ( 0.468 -5.200 0.000) 5.221 24.117 ( -2.230 -8.736 0.000) 9.016 24.250 ( -1.046 2.287 0.000) 2.514 24.451 ( 0.059 0.014 0.000) 0.060 24.568 ( -0.116 6.816 0.000) 6.817 24.751 ( 2.046 -0.521 0.000) 2.111 24.759 ( 2.606 0.416 0.000) 2.639 26.555 ( -0.105 0.403 0.000) 0.416 26.664 ( -0.555 10.697 0.000) 10.712 27.003 ( -0.164 -2.892 0.000) 2.897 27.070 ( 0.387 0.365 0.000) 0.532 27.131 ( 0.938 3.404 0.000) 3.531 27.817 ( 1.932 -8.781 0.000) 8.991 27.853 ( -1.599 -0.576 0.000) 1.700 27.901 ( -1.471 -2.638 0.000) 3.020 29.173 ( 0.085 -0.787 0.000) 0.791 29.197 ( 0.352 0.099 0.000) 0.365 29.205 ( 0.250 0.337 0.000) 0.420 29.234 ( -0.167 0.500 0.000) 0.528 29.237 ( -0.241 0.640 0.000) 0.684 29.276 ( 0.315 0.175 0.000) 0.361 30.774 ( -0.131 -0.436 0.000) 0.455 30.778 ( -0.125 -0.054 0.000) 0.136 30.806 ( -0.164 -0.261 0.000) 0.308 35.328 ( -0.093 -0.752 0.000) 0.758 35.343 ( 0.059 0.064 0.000) 0.087 35.348 ( 0.053 0.213 0.000) 0.219 35.959 ( -0.191 -0.365 0.000) 0.412 35.962 ( -0.203 -0.173 0.000) 0.267 35.996 ( 0.087 0.898 0.000) 0.902 39.931 ( 0.267 0.482 0.000) 0.551 39.938 ( 0.175 1.111 0.000) 1.125 40.156 ( -0.699 -1.876 0.000) 2.002 41.859 ( 0.397 0.335 0.000) 0.519 50.971 ( -2.039 -8.770 0.000) 9.004 51.260 ( 2.406 0.425 0.000) 2.444 51.287 ( 1.484 1.992 0.000) 2.484 51.338 ( -1.253 -1.361 0.000) 1.850 51.357 ( -2.371 -0.390 0.000) 2.402 51.852 ( 0.206 10.986 0.000) 10.988 52.256 ( -1.732 -9.805 0.000) 9.957 52.422 ( -0.038 -0.033 0.000) 0.050 52.743 ( -4.874 11.062 0.000) 12.088 53.989 ( 0.079 6.137 0.000) 6.137 54.396 ( 10.812 -0.876 0.000) 10.848 54.468 ( 10.208 1.133 0.000) 10.271 54.808 ( -6.264 -1.577 0.000) 6.460 54.983 ( 0.977 3.432 0.000) 3.568 55.203 ( -10.336 -0.856 0.000) 10.372 55.341 ( 6.410 -4.676 0.000) 7.934 55.576 ( 3.110 -2.827 0.000) 4.203 56.346 ( -7.371 -4.660 0.000) 8.721 ======================= Grid point 13 (9/35) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -0.000 5.308 0.000) 5.308 1.912 ( -0.000 7.417 0.000) 7.417 2.011 ( 0.000 3.530 0.000) 3.530 2.046 ( 0.000 6.691 0.000) 6.691 2.439 ( 0.000 -0.321 0.000) 0.321 2.560 ( 0.000 -2.242 0.000) 2.242 2.603 ( 0.000 -0.088 0.000) 0.088 2.700 ( 0.000 -1.914 0.000) 1.914 2.735 ( 0.000 0.951 0.000) 0.951 2.821 ( 0.000 -0.446 0.000) 0.446 2.853 ( -0.000 0.608 0.000) 0.608 2.911 ( 0.000 0.988 0.000) 0.988 4.444 ( 0.000 -5.530 0.000) 5.530 4.560 ( 0.000 4.184 0.000) 4.184 4.567 ( 0.000 4.669 0.000) 4.669 4.923 ( 0.000 0.230 0.000) 0.230 4.978 ( 0.000 2.429 0.000) 2.429 5.257 ( 0.000 16.206 0.000) 16.206 6.357 ( 0.000 -11.161 0.000) 11.161 6.464 ( 0.000 0.024 0.000) 0.024 6.511 ( 0.000 0.827 0.000) 0.827 6.588 ( 0.000 -0.933 0.000) 0.933 6.679 ( 0.000 7.620 0.000) 7.620 6.731 ( 0.000 -3.380 0.000) 3.380 6.906 ( 0.000 1.687 0.000) 1.687 7.027 ( 0.000 10.587 0.000) 10.587 8.175 ( 0.000 -7.289 0.000) 7.289 8.248 ( 0.000 -1.231 0.000) 1.231 8.270 ( 0.000 -0.574 0.000) 0.574 8.315 ( 0.000 2.192 0.000) 2.192 8.835 ( 0.000 -4.557 0.000) 4.557 8.952 ( 0.000 -7.527 0.000) 7.527 9.594 ( 0.000 -0.118 0.000) 0.118 11.318 ( 0.000 10.941 0.000) 10.941 12.112 ( 0.000 1.907 0.000) 1.907 12.132 ( 0.000 3.918 0.000) 3.918 13.583 ( 0.000 -1.919 0.000) 1.919 13.610 ( 0.000 0.783 0.000) 0.783 14.526 ( 0.000 -10.941 0.000) 10.941 17.583 ( 0.000 -5.986 0.000) 5.986 17.721 ( 0.000 0.011 0.000) 0.011 17.821 ( 0.000 5.576 0.000) 5.576 21.628 ( 0.000 3.162 0.000) 3.162 22.083 ( 0.000 0.762 0.000) 0.762 22.088 ( 0.000 1.218 0.000) 1.218 22.146 ( -0.000 0.043 0.000) 0.043 22.149 ( -0.000 0.284 0.000) 0.284 22.693 ( 0.000 -5.288 0.000) 5.288 24.095 ( 0.000 -9.275 0.000) 9.275 24.240 ( 0.000 2.898 0.000) 2.898 24.451 ( 0.000 -0.082 0.000) 0.082 24.567 ( 0.000 6.898 0.000) 6.898 24.771 ( 0.000 -0.967 0.000) 0.967 24.785 ( 0.000 0.539 0.000) 0.539 26.554 ( 0.000 0.564 0.000) 0.564 26.658 ( 0.000 10.536 0.000) 10.536 27.001 ( 0.000 -3.186 0.000) 3.186 27.074 ( 0.000 0.304 0.000) 0.304 27.140 ( 0.000 3.643 0.000) 3.643 27.836 ( 0.000 -0.552 0.000) 0.552 27.846 ( -0.000 -9.725 0.000) 9.725 27.878 ( 0.000 -1.602 0.000) 1.602 29.174 ( 0.000 -0.848 0.000) 0.848 29.201 ( 0.000 -0.031 0.000) 0.031 29.208 ( 0.000 0.189 0.000) 0.189 29.232 ( 0.000 0.627 0.000) 0.627 29.235 ( 0.000 0.832 0.000) 0.832 29.280 ( 0.000 0.157 0.000) 0.157 30.773 ( 0.000 -0.435 0.000) 0.435 30.777 ( 0.000 -0.040 0.000) 0.040 30.804 ( 0.000 -0.254 0.000) 0.254 35.327 ( 0.000 -0.839 0.000) 0.839 35.343 ( 0.000 0.072 0.000) 0.072 35.348 ( 0.000 0.187 0.000) 0.187 35.957 ( 0.000 -0.346 0.000) 0.346 35.960 ( 0.000 -0.167 0.000) 0.167 35.997 ( 0.000 0.988 0.000) 0.988 39.933 ( 0.000 0.562 0.000) 0.562 39.939 ( 0.000 1.093 0.000) 1.093 40.149 ( 0.000 -1.912 0.000) 1.912 41.863 ( 0.000 0.319 0.000) 0.319 50.951 ( 0.000 -9.350 0.000) 9.350 51.308 ( 0.000 0.025 0.000) 0.025 51.309 ( -0.000 -0.059 0.000) 0.059 51.313 ( -0.000 0.374 0.000) 0.374 51.314 ( 0.000 0.400 0.000) 0.400 51.855 ( 0.000 12.243 0.000) 12.243 52.237 ( 0.000 -10.101 0.000) 10.101 52.422 ( 0.000 -0.031 0.000) 0.031 52.695 ( 0.000 11.262 0.000) 11.262 53.990 ( 0.000 6.111 0.000) 6.111 54.537 ( 0.000 -0.630 0.000) 0.630 54.589 ( 0.000 0.714 0.000) 0.714 54.713 ( 0.000 -1.608 0.000) 1.608 55.037 ( -0.000 4.118 0.000) 4.118 55.037 ( 0.000 -1.668 0.000) 1.668 55.396 ( 0.000 -5.272 0.000) 5.272 55.627 ( 0.000 -2.287 0.000) 2.287 56.261 ( 0.000 -4.914 0.000) 4.914 ======================= Grid point 20 (10/35) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 15.902 15.902 0.000) 22.490 1.655 ( 16.763 16.763 0.000) 23.707 2.079 ( 16.226 16.226 0.000) 22.947 2.378 ( -2.422 -2.422 0.000) 3.425 2.382 ( -2.682 -2.682 0.000) 3.792 2.551 ( -0.885 -0.885 0.000) 1.252 2.604 ( -2.950 -2.950 0.000) 4.171 2.640 ( 1.370 1.370 0.000) 1.938 2.784 ( 2.066 2.066 0.000) 2.922 2.792 ( -2.078 -2.078 0.000) 2.939 2.823 ( -0.167 -0.167 0.000) 0.236 2.895 ( -1.200 -1.200 0.000) 1.697 4.318 ( 0.131 0.131 0.000) 0.185 4.550 ( 3.919 3.919 0.000) 5.542 4.614 ( 4.057 4.057 0.000) 5.737 4.797 ( 6.910 6.910 0.000) 9.772 4.878 ( 6.557 6.557 0.000) 9.272 5.299 ( 11.077 11.077 0.000) 15.665 6.331 ( -6.530 -6.530 0.000) 9.235 6.434 ( 0.653 0.653 0.000) 0.924 6.531 ( -1.258 -1.258 0.000) 1.779 6.567 ( 1.680 1.680 0.000) 2.376 6.704 ( -4.824 -4.824 0.000) 6.822 6.869 ( 2.041 2.041 0.000) 2.886 7.006 ( 0.838 0.838 0.000) 1.185 7.096 ( 6.125 6.125 0.000) 8.661 8.131 ( -8.685 -8.685 0.000) 12.283 8.252 ( -2.812 -2.812 0.000) 3.976 8.355 ( -3.622 -3.622 0.000) 5.122 8.612 ( -4.226 -4.226 0.000) 5.977 8.632 ( 0.220 0.220 0.000) 0.312 8.805 ( -2.502 -2.502 0.000) 3.538 9.618 ( -1.014 -1.014 0.000) 1.434 11.518 ( 9.099 9.099 0.000) 12.868 11.649 ( 10.766 10.766 0.000) 15.225 11.851 ( 13.505 13.505 0.000) 19.099 13.865 ( -11.053 -11.053 0.000) 15.631 14.089 ( -8.076 -8.076 0.000) 11.422 14.277 ( -7.966 -7.966 0.000) 11.265 17.544 ( -3.266 -3.266 0.000) 4.619 17.716 ( 0.202 0.202 0.000) 0.285 17.855 ( 3.058 3.058 0.000) 4.324 21.672 ( 2.708 2.708 0.000) 3.829 21.796 ( 4.876 4.876 0.000) 6.895 21.849 ( 5.954 5.954 0.000) 8.420 22.413 ( -5.384 -5.384 0.000) 7.614 22.502 ( -4.754 -4.754 0.000) 6.724 22.568 ( -3.606 -3.606 0.000) 5.100 24.044 ( -6.382 -6.382 0.000) 9.026 24.293 ( 0.757 0.757 0.000) 1.070 24.452 ( 0.071 0.071 0.000) 0.101 24.686 ( 1.937 1.937 0.000) 2.739 24.690 ( 3.346 3.346 0.000) 4.732 24.718 ( 1.245 1.245 0.000) 1.760 26.561 ( 0.259 0.259 0.000) 0.366 26.840 ( 6.232 6.232 0.000) 8.813 26.975 ( -1.344 -1.344 0.000) 1.901 27.073 ( 0.842 0.842 0.000) 1.190 27.155 ( 2.294 2.294 0.000) 3.244 27.640 ( -5.335 -5.335 0.000) 7.544 27.872 ( -1.498 -1.498 0.000) 2.118 27.886 ( -2.037 -2.037 0.000) 2.881 29.164 ( -0.243 -0.243 0.000) 0.344 29.194 ( 0.308 0.308 0.000) 0.436 29.206 ( 0.147 0.147 0.000) 0.208 29.242 ( 0.239 0.239 0.000) 0.338 29.247 ( 0.077 0.077 0.000) 0.109 29.276 ( 0.435 0.435 0.000) 0.616 30.770 ( -0.363 -0.363 0.000) 0.514 30.779 ( -0.128 -0.128 0.000) 0.181 30.805 ( -0.244 -0.244 0.000) 0.345 35.321 ( -0.476 -0.476 0.000) 0.673 35.342 ( 0.077 0.077 0.000) 0.108 35.349 ( 0.076 0.076 0.000) 0.108 35.957 ( -0.267 -0.267 0.000) 0.378 35.963 ( -0.267 -0.267 0.000) 0.378 36.005 ( 0.548 0.548 0.000) 0.776 39.933 ( 0.544 0.544 0.000) 0.769 39.951 ( 0.820 0.820 0.000) 1.159 40.139 ( -1.709 -1.709 0.000) 2.417 41.858 ( 0.518 0.518 0.000) 0.733 50.896 ( -5.977 -5.977 0.000) 8.453 51.240 ( 1.420 1.420 0.000) 2.009 51.298 ( 1.484 1.484 0.000) 2.098 51.331 ( -0.839 -0.839 0.000) 1.186 51.377 ( -1.369 -1.369 0.000) 1.936 51.983 ( 5.742 5.742 0.000) 8.121 52.164 ( -4.901 -4.901 0.000) 6.931 52.422 ( -0.050 -0.050 0.000) 0.070 52.951 ( -0.213 -0.213 0.000) 0.301 54.153 ( 5.228 5.228 0.000) 7.393 54.164 ( 5.305 5.305 0.000) 7.502 54.354 ( 6.523 6.523 0.000) 9.225 54.857 ( -3.824 -3.824 0.000) 5.407 55.094 ( 3.742 3.742 0.000) 5.292 55.115 ( 1.760 1.760 0.000) 2.489 55.327 ( -5.692 -5.692 0.000) 8.050 55.491 ( -1.580 -1.580 0.000) 2.235 56.377 ( -7.643 -7.643 0.000) 10.808 ======================= Grid point 21 (11/35) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 15.165 10.745 0.000) 18.586 1.927 ( 11.849 13.620 0.000) 18.053 2.259 ( -6.994 3.029 0.000) 7.622 2.292 ( -3.890 3.826 0.000) 5.456 2.358 ( 5.591 1.077 0.000) 5.694 2.525 ( -2.004 -3.215 0.000) 3.788 2.581 ( 0.803 -2.186 0.000) 2.329 2.675 ( -0.029 -0.531 0.000) 0.532 2.757 ( 0.139 1.294 0.000) 1.301 2.809 ( 0.702 1.555 0.000) 1.707 2.861 ( 3.132 2.191 0.000) 3.823 2.888 ( 1.098 -0.555 0.000) 1.230 4.328 ( 0.604 -3.792 0.000) 3.840 4.615 ( 2.816 4.043 0.000) 4.926 4.661 ( 1.022 4.926 0.000) 5.031 4.933 ( 5.041 4.756 0.000) 6.930 4.981 ( 4.837 4.509 0.000) 6.612 5.508 ( 9.311 17.002 0.000) 19.385 6.195 ( -6.043 -10.541 0.000) 12.151 6.451 ( 0.832 1.035 0.000) 1.328 6.532 ( 0.709 1.823 0.000) 1.956 6.598 ( -2.310 -5.274 0.000) 5.758 6.622 ( 0.635 -1.351 0.000) 1.493 6.901 ( -0.008 5.653 0.000) 5.653 6.962 ( -3.024 5.467 0.000) 6.247 7.197 ( 3.566 8.672 0.000) 9.377 8.001 ( -3.993 -12.532 0.000) 13.152 8.217 ( -0.650 -2.176 0.000) 2.271 8.283 ( -3.328 -2.222 0.000) 4.001 8.448 ( -8.276 1.304 0.000) 8.378 8.700 ( 2.905 -5.629 0.000) 6.335 8.789 ( 0.172 -6.481 0.000) 6.484 9.600 ( -0.720 -0.279 0.000) 0.772 11.592 ( 1.621 17.689 0.000) 17.763 11.963 ( 16.844 2.578 0.000) 17.040 12.108 ( 11.693 8.822 0.000) 14.648 13.646 ( -10.363 -6.077 0.000) 12.013 13.810 ( -15.717 0.947 0.000) 15.745 14.235 ( 0.193 -17.449 0.000) 17.451 17.494 ( -1.776 -4.436 0.000) 4.778 17.719 ( 0.124 0.024 0.000) 0.126 17.901 ( 1.638 3.950 0.000) 4.276 21.706 ( 1.003 5.253 0.000) 5.347 21.930 ( 8.740 1.778 0.000) 8.919 21.982 ( 7.676 3.918 0.000) 8.618 22.289 ( -7.416 -2.129 0.000) 7.715 22.335 ( -10.247 -0.052 0.000) 10.247 22.553 ( 0.122 -8.346 0.000) 8.347 23.946 ( -3.565 -8.339 0.000) 9.069 24.307 ( 0.646 3.397 0.000) 3.458 24.451 ( -0.099 0.056 0.000) 0.114 24.688 ( 0.029 5.037 0.000) 5.037 24.733 ( 0.702 -1.257 0.000) 1.440 24.772 ( 2.866 0.956 0.000) 3.022 26.568 ( 0.337 0.894 0.000) 0.955 26.900 ( 0.783 11.698 0.000) 11.724 26.956 ( -0.735 -1.731 0.000) 1.880 27.085 ( 0.272 1.602 0.000) 1.625 27.191 ( 1.347 2.760 0.000) 3.071 27.601 ( 0.605 -11.795 0.000) 11.810 27.836 ( -1.930 -1.491 0.000) 2.439 27.853 ( -1.230 -2.282 0.000) 2.592 29.162 ( -0.019 -0.371 0.000) 0.372 29.199 ( 0.129 0.118 0.000) 0.175 29.207 ( 0.042 -0.143 0.000) 0.149 29.245 ( 0.009 0.486 0.000) 0.486 29.247 ( 0.057 0.342 0.000) 0.347 29.283 ( 0.328 0.531 0.000) 0.624 30.765 ( -0.181 -0.501 0.000) 0.533 30.777 ( -0.091 -0.080 0.000) 0.121 30.801 ( -0.146 -0.220 0.000) 0.265 35.313 ( -0.281 -0.731 0.000) 0.784 35.344 ( 0.068 0.070 0.000) 0.097 35.350 ( -0.019 -0.013 0.000) 0.023 35.953 ( -0.134 -0.184 0.000) 0.228 35.958 ( -0.189 -0.246 0.000) 0.310 36.014 ( 0.310 0.880 0.000) 0.933 39.943 ( 0.483 0.837 0.000) 0.967 39.962 ( 0.291 1.267 0.000) 1.300 40.113 ( -0.980 -2.396 0.000) 2.588 41.867 ( 0.359 0.464 0.000) 0.587 50.806 ( -3.210 -7.561 0.000) 8.214 51.272 ( 1.834 0.765 0.000) 1.987 51.315 ( 0.407 0.871 0.000) 0.961 51.322 ( -0.213 -0.381 0.000) 0.437 51.346 ( -1.781 -0.692 0.000) 1.911 52.064 ( 2.396 8.420 0.000) 8.755 52.101 ( -1.604 -4.535 0.000) 4.811 52.421 ( -0.035 -0.045 0.000) 0.057 52.910 ( -2.737 5.878 0.000) 6.484 54.154 ( -0.101 10.405 0.000) 10.406 54.376 ( 10.803 -0.972 0.000) 10.847 54.505 ( 8.389 2.853 0.000) 8.861 54.762 ( -5.966 -3.201 0.000) 6.770 55.055 ( -3.420 2.422 0.000) 4.191 55.191 ( -4.922 -2.312 0.000) 5.438 55.243 ( 3.449 -1.824 0.000) 3.902 55.516 ( 3.984 -2.822 0.000) 4.882 56.219 ( -7.889 -8.202 0.000) 11.380 ======================= Grid point 22 (12/35) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -0.000 7.902 0.000) 7.902 2.061 ( 0.000 6.846 0.000) 6.846 2.116 ( 0.000 7.080 0.000) 7.080 2.201 ( 0.000 8.312 0.000) 8.312 2.422 ( 0.000 -1.642 0.000) 1.642 2.502 ( 0.000 -3.294 0.000) 3.294 2.598 ( 0.000 -0.905 0.000) 0.905 2.657 ( 0.000 -2.666 0.000) 2.666 2.759 ( 0.000 1.960 0.000) 1.960 2.824 ( 0.000 1.449 0.000) 1.449 2.874 ( 0.000 1.386 0.000) 1.386 2.935 ( 0.000 1.447 0.000) 1.447 4.334 ( 0.000 -5.452 0.000) 5.452 4.654 ( 0.000 4.718 0.000) 4.718 4.660 ( -0.000 4.231 0.000) 4.231 4.971 ( 0.000 4.637 0.000) 4.637 5.043 ( 0.000 4.046 0.000) 4.046 5.606 ( 0.000 19.034 0.000) 19.034 6.133 ( 0.000 -11.140 0.000) 11.140 6.458 ( 0.000 -0.818 0.000) 0.818 6.539 ( 0.000 1.719 0.000) 1.719 6.564 ( 0.000 -1.690 0.000) 1.690 6.651 ( 0.000 -4.082 0.000) 4.082 6.865 ( 0.000 10.479 0.000) 10.479 6.951 ( 0.000 2.811 0.000) 2.811 7.229 ( 0.000 10.054 0.000) 10.054 7.970 ( 0.000 -13.803 0.000) 13.803 8.219 ( 0.000 -1.721 0.000) 1.721 8.248 ( 0.000 -1.596 0.000) 1.596 8.351 ( 0.000 0.538 0.000) 0.538 8.729 ( 0.000 -5.278 0.000) 5.278 8.793 ( 0.000 -7.779 0.000) 7.779 9.593 ( 0.000 0.062 0.000) 0.062 11.607 ( 0.000 18.279 0.000) 18.279 12.159 ( 0.000 2.629 0.000) 2.629 12.230 ( 0.000 5.660 0.000) 5.660 13.533 ( 0.000 -3.005 0.000) 3.005 13.629 ( 0.000 1.100 0.000) 1.100 14.239 ( 0.000 -18.008 0.000) 18.008 17.477 ( 0.000 -4.867 0.000) 4.867 17.720 ( 0.000 -0.053 0.000) 0.053 17.916 ( 0.000 4.266 0.000) 4.266 21.716 ( 0.000 5.841 0.000) 5.841 22.100 ( 0.000 0.890 0.000) 0.890 22.106 ( -0.000 0.256 0.000) 0.256 22.158 ( -0.000 0.595 0.000) 0.595 22.161 ( 0.000 1.770 0.000) 1.770 22.555 ( 0.000 -8.638 0.000) 8.638 23.911 ( 0.000 -9.139 0.000) 9.139 24.314 ( 0.000 4.516 0.000) 4.516 24.450 ( 0.000 -0.028 0.000) 0.028 24.688 ( 0.000 5.178 0.000) 5.178 24.740 ( 0.000 -2.215 0.000) 2.215 24.800 ( 0.000 1.027 0.000) 1.027 26.571 ( 0.000 1.235 0.000) 1.235 26.903 ( 0.000 13.170 0.000) 13.170 26.948 ( 0.000 -2.275 0.000) 2.275 27.087 ( 0.000 1.463 0.000) 1.463 27.204 ( 0.000 2.932 0.000) 2.932 27.617 ( 0.000 -12.872 0.000) 12.872 27.814 ( 0.000 -2.329 0.000) 2.329 27.841 ( 0.000 -1.606 0.000) 1.606 29.162 ( 0.000 -0.397 0.000) 0.397 29.200 ( 0.000 -0.052 0.000) 0.052 29.208 ( 0.000 -0.192 0.000) 0.192 29.244 ( 0.000 0.553 0.000) 0.553 29.248 ( 0.000 0.456 0.000) 0.456 29.287 ( 0.000 0.576 0.000) 0.576 30.763 ( 0.000 -0.545 0.000) 0.545 30.776 ( 0.000 -0.061 0.000) 0.061 30.800 ( 0.000 -0.205 0.000) 0.205 35.311 ( 0.000 -0.830 0.000) 0.830 35.345 ( 0.000 0.076 0.000) 0.076 35.349 ( 0.000 -0.065 0.000) 0.065 35.952 ( 0.000 -0.142 0.000) 0.142 35.956 ( 0.000 -0.237 0.000) 0.237 36.017 ( 0.000 1.005 0.000) 1.005 39.949 ( 0.000 1.037 0.000) 1.037 39.964 ( 0.000 1.354 0.000) 1.354 40.103 ( 0.000 -2.653 0.000) 2.653 41.871 ( 0.000 0.443 0.000) 0.443 50.775 ( 0.000 -8.073 0.000) 8.073 51.308 ( -0.330 -0.032 0.000) 0.332 51.308 ( 0.330 -0.031 0.000) 0.332 51.319 ( 0.000 0.269 0.000) 0.269 51.321 ( -0.000 0.297 0.000) 0.297 52.071 ( 0.000 -6.941 0.000) 6.941 52.102 ( 0.000 12.189 0.000) 12.189 52.421 ( 0.000 -0.043 0.000) 0.043 52.880 ( 0.000 7.543 0.000) 7.543 54.153 ( 0.000 10.290 0.000) 10.290 54.520 ( 0.000 -1.068 0.000) 1.068 54.609 ( 0.000 1.420 0.000) 1.420 54.668 ( 0.000 -2.830 0.000) 2.830 54.995 ( -0.000 -2.503 0.000) 2.503 55.140 ( 0.000 4.127 0.000) 4.127 55.278 ( 0.000 -4.265 0.000) 4.265 55.578 ( 0.000 -2.540 0.000) 2.540 56.127 ( 0.000 -8.763 0.000) 8.763 ======================= Grid point 30 (13/35) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 10.762 10.762 0.000) 15.219 2.136 ( 7.793 7.793 0.000) 11.021 2.305 ( -1.184 -1.184 0.000) 1.675 2.322 ( -0.616 -0.616 0.000) 0.871 2.362 ( 1.014 1.014 0.000) 1.434 2.468 ( -2.386 -2.386 0.000) 3.375 2.553 ( -0.033 -0.033 0.000) 0.046 2.641 ( -2.754 -2.754 0.000) 3.894 2.798 ( 2.169 2.169 0.000) 3.068 2.849 ( 1.239 1.239 0.000) 1.753 2.892 ( 0.658 0.658 0.000) 0.931 2.917 ( 4.328 4.328 0.000) 6.120 4.268 ( -2.360 -2.360 0.000) 3.338 4.680 ( 2.699 2.699 0.000) 3.817 4.721 ( 1.265 1.265 0.000) 1.789 5.044 ( 5.215 5.215 0.000) 7.376 5.061 ( 3.908 3.908 0.000) 5.527 5.808 ( 12.532 12.532 0.000) 17.723 6.022 ( -6.853 -6.853 0.000) 9.692 6.483 ( 1.606 1.606 0.000) 2.272 6.491 ( -3.937 -3.937 0.000) 5.567 6.564 ( 1.016 1.016 0.000) 1.436 6.605 ( -0.551 -0.551 0.000) 0.779 6.973 ( 2.645 2.645 0.000) 3.741 7.041 ( 1.233 1.233 0.000) 1.743 7.353 ( 6.748 6.748 0.000) 9.543 7.768 ( -9.632 -9.632 0.000) 13.621 8.187 ( -0.714 -0.714 0.000) 1.010 8.239 ( -2.104 -2.104 0.000) 2.975 8.386 ( -6.801 -6.801 0.000) 9.619 8.660 ( 1.032 1.032 0.000) 1.459 8.704 ( -2.548 -2.548 0.000) 3.603 9.596 ( -0.114 -0.114 0.000) 0.161 11.909 ( 10.549 10.549 0.000) 14.918 12.044 ( 8.602 8.602 0.000) 12.164 12.267 ( 6.403 6.403 0.000) 9.056 13.531 ( -4.894 -4.894 0.000) 6.922 13.788 ( -6.528 -6.528 0.000) 9.233 13.928 ( -9.581 -9.581 0.000) 13.550 17.427 ( -2.481 -2.481 0.000) 3.509 17.719 ( -0.013 -0.013 0.000) 0.018 17.960 ( 2.135 2.135 0.000) 3.020 21.804 ( 4.002 4.002 0.000) 5.659 21.989 ( 4.837 4.837 0.000) 6.840 22.065 ( 4.412 4.412 0.000) 6.239 22.237 ( -3.243 -3.243 0.000) 4.586 22.304 ( -4.984 -4.984 0.000) 7.049 22.408 ( -4.521 -4.521 0.000) 6.394 23.814 ( -5.018 -5.018 0.000) 7.096 24.370 ( 2.859 2.859 0.000) 4.043 24.452 ( -0.043 -0.043 0.000) 0.061 24.705 ( -1.415 -1.415 0.000) 2.001 24.746 ( 1.151 1.151 0.000) 1.628 24.803 ( 2.056 2.056 0.000) 2.907 26.587 ( 1.018 1.018 0.000) 1.439 26.925 ( -0.999 -0.999 0.000) 1.413 27.038 ( 2.047 2.047 0.000) 2.895 27.163 ( 4.965 4.965 0.000) 7.022 27.233 ( 1.576 1.576 0.000) 2.229 27.423 ( -5.245 -5.245 0.000) 7.417 27.784 ( -3.095 -3.095 0.000) 4.377 27.829 ( -0.683 -0.683 0.000) 0.966 29.158 ( -0.040 -0.040 0.000) 0.057 29.201 ( -0.014 -0.014 0.000) 0.020 29.202 ( -0.174 -0.174 0.000) 0.246 29.251 ( 0.142 0.142 0.000) 0.201 29.252 ( 0.165 0.165 0.000) 0.234 29.294 ( 0.442 0.442 0.000) 0.625 30.757 ( -0.273 -0.273 0.000) 0.386 30.776 ( -0.059 -0.059 0.000) 0.083 30.798 ( -0.117 -0.117 0.000) 0.165 35.302 ( -0.444 -0.444 0.000) 0.628 35.345 ( 0.053 0.053 0.000) 0.075 35.348 ( -0.087 -0.087 0.000) 0.123 35.951 ( -0.059 -0.059 0.000) 0.083 35.954 ( -0.174 -0.174 0.000) 0.246 36.028 ( 0.522 0.522 0.000) 0.739 39.961 ( 0.914 0.914 0.000) 1.293 39.981 ( 0.641 0.641 0.000) 0.907 40.072 ( -1.713 -1.713 0.000) 2.423 41.875 ( 0.322 0.322 0.000) 0.455 50.694 ( -4.006 -4.006 0.000) 5.665 51.289 ( 0.963 0.963 0.000) 1.362 51.320 ( 0.104 0.104 0.000) 0.147 51.321 ( -0.249 -0.249 0.000) 0.353 51.332 ( -0.645 -0.645 0.000) 0.912 52.002 ( -3.187 -3.187 0.000) 4.507 52.232 ( 6.070 6.070 0.000) 8.584 52.421 ( -0.029 -0.029 0.000) 0.042 52.974 ( 1.291 1.291 0.000) 1.826 54.352 ( 4.831 4.831 0.000) 6.832 54.373 ( 5.089 5.089 0.000) 7.196 54.582 ( 4.990 4.990 0.000) 7.056 54.684 ( -4.852 -4.852 0.000) 6.861 55.051 ( -5.116 -5.116 0.000) 7.235 55.064 ( -3.996 -3.996 0.000) 5.651 55.334 ( 5.784 5.784 0.000) 8.180 55.493 ( 1.257 1.257 0.000) 1.777 56.047 ( -8.951 -8.951 0.000) 12.658 ======================= Grid point 31 (14/35) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.000 7.560 0.000) 7.560 2.183 ( 0.000 6.085 0.000) 6.085 2.235 ( 0.000 4.490 0.000) 4.490 2.320 ( 0.000 2.998 0.000) 2.998 2.375 ( -0.000 -3.215 0.000) 3.215 2.444 ( 0.000 -2.465 0.000) 2.465 2.572 ( 0.000 -1.313 0.000) 1.313 2.597 ( -0.000 -3.209 0.000) 3.209 2.816 ( 0.000 3.624 0.000) 3.624 2.867 ( 0.000 1.999 0.000) 1.999 2.895 ( 0.000 0.394 0.000) 0.394 2.973 ( 0.000 2.496 0.000) 2.496 4.244 ( 0.000 -3.680 0.000) 3.680 4.719 ( 0.000 1.908 0.000) 1.908 4.719 ( -0.000 1.958 0.000) 1.958 5.085 ( 0.000 6.094 0.000) 6.094 5.118 ( 0.000 3.339 0.000) 3.339 5.935 ( 0.000 13.243 0.000) 13.243 5.952 ( 0.000 -7.093 0.000) 7.093 6.438 ( 0.000 -0.581 0.000) 0.581 6.526 ( 0.000 -1.356 0.000) 1.356 6.569 ( 0.000 1.161 0.000) 1.161 6.600 ( 0.000 -1.481 0.000) 1.481 7.003 ( 0.000 2.292 0.000) 2.292 7.034 ( 0.000 6.208 0.000) 6.208 7.415 ( 0.000 9.037 0.000) 9.037 7.683 ( 0.000 -14.264 0.000) 14.264 8.189 ( 0.000 -1.145 0.000) 1.145 8.216 ( -0.000 -1.487 0.000) 1.487 8.294 ( 0.000 -6.071 0.000) 6.071 8.678 ( 0.000 -0.052 0.000) 0.052 8.680 ( 0.000 -3.792 0.000) 3.792 9.595 ( 0.000 0.158 0.000) 0.158 11.976 ( 0.000 18.457 0.000) 18.457 12.204 ( 0.000 1.817 0.000) 1.817 12.318 ( 0.000 2.422 0.000) 2.422 13.488 ( 0.000 -0.923 0.000) 0.923 13.648 ( -0.000 0.774 0.000) 0.774 13.879 ( 0.000 -17.853 0.000) 17.853 17.402 ( 0.000 -2.756 0.000) 2.756 17.719 ( 0.000 -0.073 0.000) 0.073 17.981 ( 0.000 2.316 0.000) 2.316 21.841 ( 0.000 6.692 0.000) 6.692 22.103 ( -0.000 -0.296 0.000) 0.296 22.109 ( 0.000 -0.163 0.000) 0.163 22.177 ( -0.000 1.604 0.000) 1.604 22.201 ( 0.000 1.950 0.000) 1.950 22.380 ( 0.000 -8.938 0.000) 8.938 23.764 ( 0.000 -5.685 0.000) 5.685 24.402 ( 0.000 4.216 0.000) 4.216 24.450 ( 0.000 0.038 0.000) 0.038 24.689 ( 0.000 -2.810 0.000) 2.810 24.755 ( 0.000 1.776 0.000) 1.776 24.826 ( 0.000 1.552 0.000) 1.552 26.599 ( 0.000 1.426 0.000) 1.426 26.915 ( 0.000 -1.159 0.000) 1.159 27.051 ( 0.000 1.803 0.000) 1.803 27.196 ( 0.000 9.308 0.000) 9.308 27.249 ( 0.000 1.670 0.000) 1.670 27.397 ( 0.000 -8.941 0.000) 8.941 27.747 ( 0.000 -3.898 0.000) 3.898 27.822 ( 0.000 -0.571 0.000) 0.571 29.158 ( 0.000 -0.023 0.000) 0.023 29.199 ( 0.000 -0.043 0.000) 0.043 29.202 ( 0.000 -0.313 0.000) 0.313 29.252 ( 0.000 0.252 0.000) 0.252 29.253 ( -0.000 0.138 0.000) 0.138 29.298 ( 0.000 0.496 0.000) 0.496 30.754 ( 0.000 -0.313 0.000) 0.313 30.775 ( 0.000 -0.046 0.000) 0.046 30.797 ( 0.000 -0.102 0.000) 0.102 35.297 ( 0.000 -0.508 0.000) 0.508 35.346 ( 0.000 0.039 0.000) 0.039 35.347 ( -0.000 -0.109 0.000) 0.109 35.951 ( 0.000 -0.024 0.000) 0.024 35.952 ( 0.000 -0.168 0.000) 0.168 36.033 ( 0.000 0.606 0.000) 0.606 39.972 ( 0.000 1.389 0.000) 1.389 39.986 ( 0.000 0.841 0.000) 0.841 40.054 ( 0.000 -2.368 0.000) 2.368 41.879 ( 0.000 0.307 0.000) 0.307 50.655 ( 0.000 -4.274 0.000) 4.274 51.307 ( 0.000 -0.021 0.000) 0.021 51.307 ( -0.000 -0.034 0.000) 0.034 51.324 ( 0.000 0.154 0.000) 0.154 51.325 ( -0.000 0.064 0.000) 0.064 51.971 ( 0.000 -3.456 0.000) 3.456 52.292 ( 0.000 7.090 0.000) 7.090 52.420 ( 0.000 -0.023 0.000) 0.023 52.982 ( 0.000 3.271 0.000) 3.271 54.357 ( 0.000 10.043 0.000) 10.043 54.499 ( 0.000 -0.917 0.000) 0.917 54.603 ( 0.000 -3.335 0.000) 3.335 54.655 ( 0.000 2.947 0.000) 2.947 54.951 ( 0.000 -1.791 0.000) 1.791 55.048 ( 0.000 -8.678 0.000) 8.678 55.383 ( 0.000 10.120 0.000) 10.120 55.539 ( 0.000 -1.397 0.000) 1.397 55.937 ( -0.000 -10.433 0.000) 10.433 ======================= Grid point 44 (15/35) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -0.000 -0.000 0.000) 0.000 2.280 ( -0.000 -0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.871 ( -0.000 -0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.736 ( 0.000 0.000 0.000) 0.000 4.736 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 6.060 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 0.000 0.000) 0.000 8.189 ( -0.000 -0.000 0.000) 0.000 8.200 ( 0.000 0.000 0.000) 0.000 8.200 ( 0.000 0.000 0.000) 0.000 8.645 ( 0.000 0.000 0.000) 0.000 8.686 ( 0.000 0.000 0.000) 0.000 9.597 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 0.000) 0.000 12.298 ( -0.000 -0.000 0.000) 0.000 13.506 ( 0.000 0.000 0.000) 0.000 13.656 ( -0.000 -0.000 0.000) 0.000 13.656 ( 0.000 0.000 0.000) 0.000 17.375 ( 0.000 0.000 0.000) 0.000 17.718 ( 0.000 0.000 0.000) 0.000 18.003 ( 0.000 0.000 0.000) 0.000 21.925 ( 0.000 0.000 0.000) 0.000 22.100 ( 0.000 0.000 0.000) 0.000 22.100 ( 0.000 0.000 0.000) 0.000 22.222 ( 0.000 0.000 0.000) 0.000 22.222 ( 0.000 0.000 0.000) 0.000 22.252 ( -0.000 -0.000 0.000) 0.000 23.707 ( 0.000 0.000 0.000) 0.000 24.451 ( 0.000 0.000 0.000) 0.000 24.451 ( 0.000 0.000 0.000) 0.000 24.654 ( -0.000 -0.000 0.000) 0.000 24.769 ( 0.000 0.000 0.000) 0.000 24.844 ( -0.000 -0.000 0.000) 0.000 26.615 ( 0.000 0.000 0.000) 0.000 26.904 ( 0.000 0.000 0.000) 0.000 27.063 ( 0.000 0.000 0.000) 0.000 27.267 ( 0.000 0.000 0.000) 0.000 27.305 ( 0.000 0.000 0.000) 0.000 27.305 ( 0.000 0.000 0.000) 0.000 27.699 ( 0.000 0.000 0.000) 0.000 27.817 ( 0.000 0.000 0.000) 0.000 29.159 ( 0.000 0.000 0.000) 0.000 29.198 ( 0.000 0.000 0.000) 0.000 29.198 ( 0.000 0.000 0.000) 0.000 29.254 ( 0.000 0.000 0.000) 0.000 29.254 ( 0.000 0.000 0.000) 0.000 29.303 ( 0.000 0.000 0.000) 0.000 30.751 ( 0.000 0.000 0.000) 0.000 30.775 ( 0.000 0.000 0.000) 0.000 30.796 ( 0.000 0.000 0.000) 0.000 35.292 ( 0.000 0.000 0.000) 0.000 35.346 ( 0.000 0.000 0.000) 0.000 35.346 ( 0.000 0.000 0.000) 0.000 35.950 ( 0.000 0.000 0.000) 0.000 35.950 ( 0.000 0.000 0.000) 0.000 36.039 ( 0.000 0.000 0.000) 0.000 39.995 ( 0.000 0.000 0.000) 0.000 39.995 ( 0.000 0.000 0.000) 0.000 40.022 ( 0.000 0.000 0.000) 0.000 41.882 ( 0.000 0.000 0.000) 0.000 50.614 ( 0.000 0.000 0.000) 0.000 51.307 ( 0.000 0.000 0.000) 0.000 51.307 ( 0.000 0.000 0.000) 0.000 51.325 ( 0.000 0.000 0.000) 0.000 51.325 ( 0.000 0.000 0.000) 0.000 51.938 ( 0.000 0.000 0.000) 0.000 52.362 ( 0.000 0.000 0.000) 0.000 52.420 ( 0.000 0.000 0.000) 0.000 53.013 ( 0.000 0.000 0.000) 0.000 54.490 ( 0.000 0.000 0.000) 0.000 54.490 ( 0.000 0.000 0.000) 0.000 54.541 ( 0.000 0.000 0.000) 0.000 54.707 ( 0.000 0.000 0.000) 0.000 54.933 ( -0.000 -0.000 0.000) 0.000 54.933 ( 0.000 0.000 0.000) 0.000 55.525 ( 0.000 0.000 0.000) 0.000 55.525 ( 0.000 0.000 0.000) 0.000 55.794 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 91 (16/35) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 16.461 16.461 16.461) 28.511 1.035 ( 16.461 16.461 16.461) 28.511 1.402 ( 21.597 21.597 21.597) 37.408 2.472 ( -2.442 -2.442 -2.442) 4.229 2.472 ( -2.442 -2.442 -2.442) 4.229 2.560 ( -0.371 -0.371 -0.371) 0.643 2.640 ( 0.404 0.404 0.404) 0.700 2.679 ( 0.652 0.652 0.652) 1.129 2.679 ( 0.652 0.652 0.652) 1.129 2.882 ( -2.144 -2.144 -2.144) 3.714 2.882 ( -2.144 -2.144 -2.144) 3.714 2.936 ( -1.354 -1.354 -1.354) 2.345 4.266 ( 0.248 0.248 0.248) 0.429 4.432 ( 3.424 3.424 3.424) 5.931 4.432 ( 3.424 3.424 3.424) 5.931 4.661 ( 6.428 6.428 6.428) 11.134 4.661 ( 6.428 6.428 6.428) 11.134 5.084 ( 3.705 3.705 3.705) 6.417 6.376 ( 0.026 0.026 0.026) 0.046 6.447 ( 1.565 1.565 1.565) 2.711 6.447 ( 1.565 1.565 1.565) 2.711 6.749 ( -3.919 -3.919 -3.919) 6.788 6.749 ( -3.919 -3.919 -3.919) 6.788 6.906 ( 1.146 1.146 1.146) 1.984 6.906 ( 1.146 1.146 1.146) 1.984 7.018 ( 2.388 2.388 2.388) 4.137 8.372 ( -4.024 -4.024 -4.024) 6.970 8.372 ( -4.024 -4.024 -4.024) 6.970 8.460 ( -2.431 -2.431 -2.431) 4.210 8.645 ( -1.003 -1.003 -1.003) 1.738 8.645 ( -1.003 -1.003 -1.003) 1.738 8.855 ( -2.352 -2.352 -2.352) 4.074 9.654 ( -0.884 -0.884 -0.884) 1.531 11.323 ( 5.906 5.906 5.906) 10.229 11.392 ( 7.926 7.926 7.926) 13.728 11.392 ( 7.926 7.926 7.926) 13.728 14.264 ( -5.954 -5.954 -5.954) 10.312 14.264 ( -5.954 -5.954 -5.954) 10.312 14.437 ( -5.264 -5.264 -5.264) 9.118 17.611 ( -2.898 -2.898 -2.898) 5.020 17.749 ( 1.545 1.545 1.545) 2.677 17.749 ( 1.545 1.545 1.545) 2.677 21.613 ( 1.318 1.318 1.318) 2.283 21.674 ( 3.300 3.300 3.300) 5.717 21.674 ( 3.300 3.300 3.300) 5.717 22.602 ( -3.226 -3.226 -3.226) 5.588 22.602 ( -3.226 -3.226 -3.226) 5.588 22.645 ( -1.832 -1.832 -1.832) 3.173 24.259 ( -3.415 -3.415 -3.415) 5.915 24.259 ( -3.415 -3.415 -3.415) 5.915 24.450 ( 0.269 0.269 0.269) 0.467 24.621 ( 1.686 1.686 1.686) 2.920 24.621 ( 1.686 1.686 1.686) 2.920 24.631 ( 4.425 4.425 4.425) 7.664 26.636 ( 2.313 2.313 2.313) 4.006 26.636 ( 2.313 2.313 2.313) 4.006 26.998 ( -1.468 -1.468 -1.468) 2.542 27.080 ( 1.307 1.307 1.307) 2.265 27.080 ( 1.307 1.307 1.307) 2.265 27.741 ( -3.906 -3.906 -3.906) 6.765 27.925 ( -1.129 -1.129 -1.129) 1.956 27.925 ( -1.129 -1.129 -1.129) 1.956 29.170 ( -0.210 -0.210 -0.210) 0.363 29.190 ( 0.300 0.300 0.300) 0.520 29.190 ( 0.300 0.300 0.300) 0.520 29.244 ( 0.091 0.091 0.091) 0.158 29.244 ( 0.091 0.091 0.091) 0.158 29.264 ( 0.253 0.253 0.253) 0.439 30.781 ( -0.217 -0.217 -0.217) 0.376 30.781 ( -0.217 -0.217 -0.217) 0.376 30.813 ( -0.158 -0.158 -0.158) 0.274 35.331 ( -0.236 -0.236 -0.236) 0.410 35.343 ( 0.069 0.069 0.069) 0.120 35.343 ( 0.069 0.069 0.069) 0.120 35.969 ( -0.181 -0.181 -0.181) 0.313 35.969 ( -0.181 -0.181 -0.181) 0.313 35.993 ( 0.232 0.232 0.232) 0.401 39.926 ( 0.416 0.416 0.416) 0.721 39.926 ( 0.416 0.416 0.416) 0.721 40.182 ( -1.152 -1.152 -1.152) 1.995 41.844 ( 0.413 0.413 0.413) 0.716 51.065 ( -3.286 -3.286 -3.286) 5.692 51.183 ( -1.436 -1.436 -1.436) 2.488 51.183 ( -1.436 -1.436 -1.436) 2.488 51.424 ( 1.455 1.455 1.455) 2.521 51.424 ( 1.455 1.455 1.455) 2.521 51.876 ( 2.716 2.716 2.716) 4.705 52.343 ( -2.597 -2.597 -2.597) 4.498 52.343 ( -2.597 -2.597 -2.597) 4.498 53.055 ( 1.754 1.754 1.754) 3.038 54.007 ( 3.488 3.488 3.488) 6.042 54.007 ( 3.488 3.488 3.488) 6.042 54.158 ( 3.817 3.817 3.817) 6.610 54.952 ( -1.907 -1.907 -1.907) 3.303 54.999 ( 2.106 2.106 2.106) 3.647 54.999 ( 2.106 2.106 2.106) 3.647 55.518 ( -2.751 -2.751 -2.751) 4.765 55.518 ( -2.751 -2.751 -2.751) 4.765 56.567 ( -4.238 -4.238 -4.238) 7.341 ======================= Grid point 92 (17/35) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 17.660 11.765 11.765) 24.263 1.410 ( 18.756 12.391 12.391) 25.668 1.905 ( 26.726 9.339 9.339) 29.812 2.380 ( -6.691 -0.718 -0.718) 6.768 2.405 ( -4.832 -0.368 -0.368) 4.860 2.564 ( 0.645 -1.086 -1.086) 1.665 2.630 ( -1.577 -0.359 -0.359) 1.657 2.690 ( 1.232 -0.196 -0.196) 1.263 2.707 ( 0.977 -0.272 -0.272) 1.050 2.813 ( -2.918 1.134 1.134) 3.330 2.855 ( -1.181 -0.821 -0.821) 1.656 2.913 ( -0.989 -1.032 -1.032) 1.764 4.302 ( 3.225 -1.901 -1.901) 4.199 4.484 ( 1.833 1.018 1.018) 2.331 4.517 ( 4.964 0.618 0.618) 5.040 4.764 ( 5.598 8.169 8.169) 12.838 4.873 ( 12.657 8.386 8.386) 17.345 5.166 ( 4.686 5.214 5.214) 8.736 6.387 ( 0.933 -0.310 -0.310) 1.031 6.426 ( -2.066 -0.098 -0.098) 2.071 6.532 ( 4.796 -1.721 -1.721) 5.378 6.600 ( -6.976 -3.007 -3.007) 8.170 6.711 ( -3.027 -4.798 -4.798) 7.430 6.883 ( -0.826 2.544 2.544) 3.692 6.909 ( -3.837 5.121 5.121) 8.196 7.081 ( 4.380 4.643 4.643) 7.892 8.252 ( -6.441 -2.616 -2.616) 7.428 8.299 ( -3.798 -3.199 -3.199) 5.908 8.393 ( -4.523 -2.327 -2.327) 5.593 8.536 ( -6.807 1.036 1.036) 6.962 8.704 ( 3.467 -4.783 -4.783) 7.601 8.844 ( 1.056 -4.228 -4.228) 6.072 9.631 ( -1.342 -0.437 -0.437) 1.478 11.379 ( 1.721 9.562 9.562) 13.632 11.633 ( 16.698 4.438 4.438) 17.838 11.663 ( 16.929 5.555 5.555) 18.663 14.031 ( -14.892 -3.472 -3.472) 15.680 14.071 ( -14.927 -2.290 -2.290) 15.274 14.405 ( 0.649 -9.425 -9.425) 13.345 17.560 ( -2.285 -4.108 -4.108) 6.244 17.753 ( 0.272 2.080 2.080) 2.954 17.799 ( 2.281 1.918 1.918) 3.543 21.635 ( 0.894 2.100 2.100) 3.101 21.764 ( 6.460 2.176 2.176) 7.156 21.782 ( 7.170 2.631 2.631) 8.078 22.477 ( -8.158 -2.094 -2.094) 8.679 22.507 ( -7.255 -1.130 -1.130) 7.429 22.638 ( 0.318 -3.781 -3.781) 5.357 24.161 ( -4.520 -3.322 -3.322) 6.520 24.229 ( -1.380 -2.432 -2.432) 3.707 24.453 ( 0.019 0.337 0.337) 0.476 24.620 ( -0.148 3.430 3.430) 4.853 24.672 ( 2.687 -0.661 -0.661) 2.844 24.735 ( 4.918 3.287 3.287) 6.768 26.626 ( -0.587 3.477 3.477) 4.952 26.698 ( 1.366 4.797 4.797) 6.920 26.974 ( -0.980 -2.350 -2.350) 3.464 27.092 ( 0.650 1.784 1.784) 2.606 27.119 ( 1.883 1.581 1.581) 2.924 27.706 ( 0.269 -7.159 -7.159) 10.128 27.886 ( -2.257 -0.762 -0.762) 2.501 27.908 ( -1.189 -1.580 -1.580) 2.531 29.168 ( -0.012 -0.312 -0.312) 0.442 29.193 ( 0.212 0.190 0.190) 0.342 29.199 ( 0.385 0.080 0.080) 0.401 29.243 ( 0.002 0.381 0.381) 0.539 29.245 ( -0.084 0.312 0.312) 0.449 29.270 ( 0.368 0.169 0.169) 0.439 30.776 ( -0.206 -0.286 -0.286) 0.455 30.777 ( -0.203 -0.250 -0.250) 0.408 30.809 ( -0.208 -0.087 -0.087) 0.242 35.327 ( -0.205 -0.344 -0.344) 0.528 35.341 ( -0.066 -0.006 -0.006) 0.066 35.346 ( 0.141 -0.031 -0.031) 0.147 35.962 ( -0.369 -0.076 -0.076) 0.385 35.968 ( -0.081 -0.054 -0.054) 0.111 35.997 ( 0.196 0.331 0.331) 0.507 39.931 ( 0.276 0.516 0.516) 0.780 39.938 ( 0.533 0.615 0.615) 1.020 40.159 ( -1.165 -1.430 -1.430) 2.334 41.853 ( 0.558 0.392 0.392) 0.787 50.992 ( -3.743 -3.923 -3.923) 6.692 51.140 ( -1.900 -4.643 -4.643) 6.836 51.182 ( 0.193 -4.337 -4.337) 6.137 51.429 ( 0.456 4.877 4.877) 6.913 51.478 ( 2.472 4.665 4.665) 7.045 51.907 ( 0.749 5.134 5.134) 7.299 52.267 ( -3.091 -3.957 -3.957) 6.393 52.343 ( -0.042 -3.871 -3.871) 5.474 52.994 ( -6.128 8.222 8.222) 13.144 54.033 ( 0.736 4.977 4.977) 7.077 54.175 ( 11.095 0.180 0.180) 11.098 54.284 ( 9.015 2.137 2.137) 9.508 54.895 ( -4.085 -1.671 -1.671) 4.719 55.000 ( 0.114 2.940 2.940) 4.160 55.139 ( 9.280 -1.965 -1.965) 9.687 55.382 ( -8.808 -1.352 -1.352) 9.014 55.512 ( 0.258 -3.665 -3.665) 5.189 56.452 ( -7.416 -4.392 -4.392) 9.674 ======================= Grid point 93 (18/35) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 16.661 7.080 7.080) 19.438 1.747 ( 15.951 8.948 8.948) 20.361 2.218 ( -10.106 1.043 1.043) 10.214 2.248 ( -2.740 2.296 2.296) 4.249 2.339 ( 7.632 2.458 2.458) 8.387 2.577 ( 0.487 -1.230 -1.230) 1.806 2.584 ( -2.614 -1.694 -1.694) 3.546 2.710 ( -0.444 -1.257 -1.257) 1.832 2.711 ( 0.488 0.921 0.921) 1.390 2.819 ( 3.504 1.785 1.785) 4.319 2.846 ( 0.140 1.232 1.232) 1.747 2.903 ( 0.339 0.107 0.107) 0.371 4.370 ( 3.244 -3.325 -3.325) 5.712 4.507 ( 0.565 -0.202 -0.202) 0.633 4.598 ( 3.098 0.252 0.252) 3.118 4.852 ( 2.974 5.758 5.758) 8.670 5.097 ( 9.362 9.644 9.644) 16.542 5.257 ( 4.362 7.407 7.407) 11.347 6.351 ( -4.775 -5.662 -5.662) 9.323 6.410 ( 1.378 -1.066 -1.066) 2.043 6.529 ( -0.617 1.053 1.053) 1.612 6.598 ( -0.163 -4.674 -4.674) 6.612 6.659 ( -0.005 -2.025 -2.025) 2.864 6.803 ( -5.911 5.775 5.775) 10.081 6.874 ( -0.331 1.180 1.180) 1.702 7.161 ( 3.485 9.305 9.305) 13.613 8.143 ( -4.485 -5.828 -5.828) 9.383 8.248 ( -1.078 -1.278 -1.278) 2.104 8.310 ( -3.483 -0.701 -0.701) 3.622 8.401 ( -6.634 1.195 1.195) 6.846 8.763 ( 2.334 -5.045 -5.045) 7.507 8.874 ( 1.572 -5.344 -5.344) 7.720 9.607 ( -1.020 0.066 0.066) 1.025 11.406 ( 1.070 9.934 9.934) 14.090 11.961 ( 15.556 2.818 2.818) 16.058 11.993 ( 15.555 4.187 4.187) 16.644 13.734 ( -14.280 -2.110 -2.110) 14.588 13.769 ( -14.504 -0.625 -0.625) 14.530 14.421 ( 0.713 -9.841 -9.841) 13.936 17.526 ( -1.224 -4.981 -4.981) 7.149 17.758 ( 0.187 1.950 1.950) 2.763 17.834 ( 1.220 2.642 2.642) 3.931 21.649 ( 0.509 2.535 2.535) 3.621 21.914 ( 8.992 0.838 0.838) 9.070 21.942 ( 9.212 1.966 1.966) 9.622 22.299 ( -10.043 -1.387 -1.387) 10.233 22.343 ( -9.408 0.479 0.479) 9.432 22.645 ( 0.315 -4.312 -4.312) 6.106 24.093 ( -2.413 -4.166 -4.166) 6.367 24.209 ( -0.664 -1.027 -1.027) 1.597 24.452 ( -0.077 0.141 0.141) 0.213 24.618 ( -0.103 3.601 3.601) 5.093 24.715 ( 1.652 -1.955 -1.955) 3.220 24.809 ( 2.692 3.441 3.441) 5.561 26.616 ( -0.414 3.263 3.263) 4.633 26.705 ( -0.196 6.460 6.460) 9.138 26.960 ( -0.466 -3.005 -3.005) 4.275 27.102 ( 0.420 1.790 1.790) 2.566 27.149 ( 1.105 2.016 2.016) 3.058 27.733 ( 1.948 -8.307 -8.307) 11.909 27.847 ( -1.571 -0.614 -0.614) 1.795 27.881 ( -1.463 -1.742 -1.742) 2.865 29.168 ( 0.064 -0.388 -0.388) 0.552 29.197 ( 0.211 -0.018 -0.018) 0.213 29.204 ( 0.153 -0.101 -0.101) 0.210 29.242 ( -0.182 0.507 0.507) 0.739 29.244 ( 0.024 0.662 0.662) 0.937 29.277 ( 0.278 0.090 0.090) 0.306 30.773 ( -0.109 -0.316 -0.316) 0.461 30.774 ( -0.139 -0.248 -0.248) 0.377 30.806 ( -0.145 -0.033 -0.033) 0.153 35.324 ( -0.116 -0.451 -0.451) 0.648 35.340 ( -0.045 -0.132 -0.132) 0.192 35.348 ( 0.068 -0.068 -0.068) 0.118 35.956 ( -0.251 -0.074 -0.074) 0.272 35.966 ( -0.055 0.132 0.132) 0.194 36.000 ( 0.116 0.442 0.442) 0.635 39.936 ( 0.193 0.506 0.506) 0.741 39.946 ( 0.312 0.851 0.851) 1.243 40.140 ( -0.735 -1.607 -1.607) 2.389 41.863 ( 0.383 0.363 0.363) 0.641 50.933 ( -2.223 -4.721 -4.721) 7.037 51.111 ( -1.106 -6.727 -6.727) 9.577 51.187 ( 0.222 -5.361 -5.361) 7.585 51.439 ( 0.464 6.221 6.221) 8.809 51.514 ( 1.255 7.322 7.322) 10.431 51.917 ( 0.444 6.677 6.677) 9.453 52.215 ( -2.253 -5.011 -5.011) 7.436 52.342 ( -0.031 -3.861 -3.861) 5.460 52.884 ( -4.423 10.469 10.469) 15.452 54.040 ( 0.156 5.200 5.200) 7.356 54.392 ( 10.707 -0.459 -0.459) 10.726 54.476 ( 9.875 0.952 0.952) 9.966 54.795 ( -6.148 -1.407 -1.407) 6.462 55.005 ( 0.408 2.121 2.121) 3.027 55.197 ( -9.707 -0.396 -0.396) 9.724 55.296 ( 5.575 -4.339 -4.339) 8.291 55.547 ( 3.724 -2.699 -2.699) 5.332 56.300 ( -7.530 -4.646 -4.646) 9.994 ======================= Grid point 94 (19/35) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -0.000 4.737 4.737) 6.699 1.967 ( -0.000 5.233 5.233) 7.401 2.027 ( 0.000 2.477 2.477) 3.502 2.120 ( 0.000 6.378 6.378) 9.020 2.436 ( 0.000 -0.560 -0.560) 0.793 2.556 ( 0.000 -1.075 -1.075) 1.520 2.581 ( 0.000 -1.158 -1.158) 1.638 2.704 ( 0.000 -1.643 -1.643) 2.323 2.714 ( 0.000 0.575 0.575) 0.813 2.849 ( 0.000 1.946 1.946) 2.752 2.858 ( -0.000 0.609 0.609) 0.861 2.928 ( 0.000 1.714 1.714) 2.424 4.406 ( 0.000 -3.758 -3.758) 5.315 4.511 ( 0.000 -0.656 -0.656) 0.928 4.629 ( 0.000 0.424 0.424) 0.600 4.877 ( 0.000 4.421 4.421) 6.252 5.193 ( 0.000 10.046 10.046) 14.207 5.306 ( 0.000 8.393 8.393) 11.869 6.298 ( 0.000 -6.744 -6.744) 9.537 6.428 ( 0.000 -2.270 -2.270) 3.210 6.533 ( 0.000 1.498 1.498) 2.119 6.569 ( 0.000 -2.000 -2.000) 2.828 6.681 ( 0.000 -3.934 -3.934) 5.564 6.733 ( 0.000 5.949 5.949) 8.413 6.869 ( 0.000 0.411 0.411) 0.581 7.198 ( 0.000 11.585 11.585) 16.384 8.097 ( 0.000 -7.858 -7.858) 11.113 8.253 ( -0.000 0.260 0.260) 0.368 8.275 ( 0.000 -0.040 -0.040) 0.056 8.318 ( 0.000 0.697 0.697) 0.986 8.786 ( 0.000 -4.847 -4.847) 6.854 8.891 ( 0.000 -5.706 -5.706) 8.070 9.596 ( 0.000 0.297 0.297) 0.420 11.417 ( 0.000 10.012 10.012) 14.158 12.134 ( 0.000 2.047 2.047) 2.895 12.166 ( 0.000 3.436 3.436) 4.859 13.574 ( 0.000 -1.356 -1.356) 1.917 13.607 ( 0.000 0.115 0.115) 0.163 14.428 ( 0.000 -9.852 -9.852) 13.932 17.514 ( 0.000 -5.291 -5.291) 7.482 17.760 ( 0.000 1.898 1.898) 2.684 17.845 ( 0.000 2.895 2.895) 4.094 21.654 ( 0.000 2.660 2.660) 3.762 22.093 ( 0.000 0.540 0.540) 0.764 22.096 ( 0.000 0.736 0.736) 1.041 22.107 ( -0.000 -1.490 -1.490) 2.107 22.190 ( 0.000 2.218 2.218) 3.137 22.648 ( 0.000 -4.472 -4.472) 6.325 24.070 ( 0.000 -4.496 -4.496) 6.359 24.203 ( 0.000 -0.510 -0.510) 0.721 24.451 ( 0.000 0.004 0.004) 0.006 24.617 ( 0.000 3.661 3.661) 5.178 24.731 ( 0.000 -2.370 -2.370) 3.351 24.835 ( 0.000 3.503 3.503) 4.953 26.612 ( 0.000 3.171 3.171) 4.484 26.702 ( 0.000 6.698 6.698) 9.472 26.956 ( 0.000 -3.246 -3.246) 4.591 27.106 ( 0.000 1.774 1.774) 2.509 27.160 ( 0.000 2.161 2.161) 3.057 27.757 ( 0.000 -8.595 -8.595) 12.155 27.831 ( 0.000 -0.544 -0.544) 0.769 27.863 ( 0.000 -1.549 -1.549) 2.191 29.169 ( 0.000 -0.414 -0.414) 0.585 29.199 ( 0.000 -0.119 -0.119) 0.169 29.205 ( 0.000 -0.187 -0.187) 0.265 29.240 ( 0.000 0.587 0.587) 0.831 29.244 ( 0.000 0.784 0.784) 1.109 29.280 ( 0.000 0.061 0.061) 0.086 30.772 ( 0.000 -0.317 -0.317) 0.449 30.772 ( 0.000 -0.247 -0.247) 0.349 30.804 ( 0.000 -0.012 -0.012) 0.017 35.323 ( 0.000 -0.495 -0.495) 0.700 35.340 ( 0.000 -0.183 -0.183) 0.258 35.349 ( 0.000 -0.084 -0.084) 0.119 35.953 ( 0.000 -0.077 -0.077) 0.109 35.966 ( 0.000 0.209 0.209) 0.295 36.001 ( 0.000 0.487 0.487) 0.688 39.938 ( 0.000 0.501 0.501) 0.709 39.949 ( 0.000 0.934 0.934) 1.321 40.132 ( 0.000 -1.661 -1.661) 2.348 41.867 ( 0.000 0.350 0.350) 0.496 50.911 ( 0.000 -5.007 -5.007) 7.081 51.100 ( 0.000 -7.368 -7.368) 10.420 51.189 ( 0.000 -5.692 -5.692) 8.050 51.444 ( 0.000 6.619 6.619) 9.361 51.526 ( 0.000 8.263 8.263) 11.686 51.922 ( 0.000 7.304 7.304) 10.329 52.190 ( 0.000 -5.300 -5.300) 7.495 52.342 ( 0.000 -3.857 -3.857) 5.455 52.840 ( 0.000 10.801 10.801) 15.275 54.041 ( 0.000 5.239 5.239) 7.409 54.532 ( 0.000 -0.490 -0.490) 0.693 54.595 ( 0.000 0.617 0.617) 0.873 54.700 ( 0.000 -1.356 -1.356) 1.917 55.019 ( -0.000 -1.807 -1.807) 2.556 55.070 ( 0.000 3.510 3.510) 4.964 55.344 ( 0.000 -5.157 -5.157) 7.293 55.605 ( 0.000 -2.112 -2.112) 2.987 56.213 ( 0.000 -4.877 -4.877) 6.897 ======================= Grid point 101 (20/35) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 13.341 13.341 10.400) 21.543 1.701 ( 15.242 15.242 4.667) 22.054 2.141 ( 13.410 13.410 5.881) 19.856 2.359 ( -2.586 -2.586 -1.620) 4.000 2.369 ( -2.586 -2.586 -1.326) 3.890 2.548 ( -0.504 -0.504 -0.258) 0.758 2.618 ( -2.787 -2.787 1.228) 4.128 2.662 ( 0.878 0.878 1.677) 2.086 2.732 ( 1.335 1.335 -2.201) 2.900 2.836 ( 0.306 0.306 1.436) 1.499 2.842 ( 0.814 0.814 2.518) 2.769 2.897 ( -0.372 -0.372 0.206) 0.565 4.288 ( 0.336 0.336 -2.392) 2.439 4.517 ( 1.403 1.403 -2.006) 2.822 4.536 ( 2.098 2.098 -4.472) 5.367 4.943 ( 7.913 7.913 12.689) 16.919 5.029 ( 8.384 8.384 11.455) 16.487 5.315 ( 9.985 9.985 1.743) 14.229 6.330 ( -7.194 -7.194 -0.149) 10.176 6.411 ( 0.380 0.380 -1.778) 1.858 6.503 ( -1.002 -1.002 -7.264) 7.401 6.557 ( -0.788 -0.788 2.007) 2.296 6.650 ( -2.010 -2.010 -4.941) 5.701 6.877 ( -0.741 -0.741 6.176) 6.264 7.083 ( 5.846 5.846 -1.346) 8.376 7.118 ( 2.769 2.769 5.663) 6.885 8.150 ( -8.226 -8.226 2.193) 11.838 8.237 ( -2.311 -2.311 -1.262) 3.503 8.335 ( -2.898 -2.898 -2.760) 4.940 8.579 ( -0.634 -0.634 -4.528) 4.616 8.588 ( -3.526 -3.526 -2.520) 5.588 8.779 ( -1.933 -1.933 -2.380) 3.625 9.620 ( -0.625 -0.625 0.243) 0.916 11.591 ( 8.490 8.490 7.267) 14.035 11.727 ( 9.975 9.975 7.902) 16.169 11.868 ( 13.357 13.357 1.833) 18.978 13.869 ( -11.118 -11.118 0.277) 15.726 14.025 ( -7.367 -7.367 -6.461) 12.259 14.207 ( -7.226 -7.226 -6.784) 12.266 17.485 ( -3.460 -3.460 -4.632) 6.738 17.771 ( 0.326 0.326 4.337) 4.362 17.854 ( 2.982 2.982 -0.081) 4.218 21.682 ( 2.372 2.372 1.001) 3.500 21.825 ( 4.496 4.496 2.965) 7.016 21.864 ( 5.722 5.722 1.519) 8.234 22.402 ( -5.518 -5.518 -1.067) 7.876 22.467 ( -4.317 -4.317 -3.541) 7.057 22.560 ( -2.903 -2.903 -0.827) 4.188 24.057 ( -5.826 -5.826 1.376) 8.354 24.224 ( 0.802 0.802 -6.179) 6.282 24.458 ( 0.088 0.088 0.545) 0.559 24.656 ( -0.071 -0.071 -1.007) 1.012 24.675 ( 1.317 1.317 -1.121) 2.174 24.814 ( 4.347 4.347 6.440) 8.904 26.644 ( 0.003 0.003 7.778) 7.778 26.832 ( 6.154 6.154 -0.805) 8.740 26.934 ( -1.724 -1.724 -3.135) 3.971 27.116 ( 0.987 0.987 3.245) 3.533 27.161 ( 2.301 2.301 0.597) 3.308 27.577 ( -4.857 -4.857 -5.818) 9.002 27.864 ( -1.559 -1.559 -0.835) 2.358 27.872 ( -1.931 -1.931 -1.348) 3.045 29.163 ( -0.136 -0.136 -0.074) 0.207 29.195 ( 0.105 0.105 0.031) 0.151 29.201 ( 0.070 0.070 -0.357) 0.371 29.249 ( 0.280 0.280 0.595) 0.715 29.250 ( 0.179 0.179 0.367) 0.445 29.275 ( 0.340 0.340 -0.007) 0.480 30.769 ( -0.355 -0.355 -0.135) 0.520 30.774 ( -0.166 -0.166 -0.453) 0.510 30.807 ( -0.123 -0.123 0.154) 0.232 35.319 ( -0.413 -0.413 -0.165) 0.606 35.340 ( -0.083 -0.083 -0.186) 0.220 35.345 ( -0.021 -0.021 -0.375) 0.376 35.960 ( -0.149 -0.149 0.329) 0.391 35.966 ( -0.085 -0.085 0.228) 0.257 36.005 ( 0.429 0.429 -0.040) 0.608 39.940 ( 0.474 0.474 0.712) 0.977 39.953 ( 0.812 0.812 0.176) 1.161 40.128 ( -1.597 -1.597 -1.127) 2.524 41.863 ( 0.524 0.524 0.413) 0.848 50.890 ( -5.579 -5.579 -0.800) 7.930 51.084 ( -2.083 -2.083 -8.694) 9.179 51.119 ( -2.031 -2.031 -9.737) 10.151 51.505 ( 2.840 2.840 10.651) 11.383 51.555 ( 3.432 3.432 9.411) 10.589 52.008 ( 4.729 4.729 2.525) 7.149 52.164 ( -4.898 -4.898 -0.013) 6.927 52.314 ( -0.474 -0.474 -8.446) 8.472 53.083 ( 0.672 0.672 10.125) 10.170 54.168 ( 5.037 5.037 1.880) 7.368 54.190 ( 5.027 5.027 2.504) 7.538 54.363 ( 6.183 6.183 1.124) 8.815 54.844 ( -3.645 -3.645 -1.396) 5.341 55.083 ( 2.576 2.576 -0.681) 3.705 55.110 ( 1.377 1.377 -0.669) 2.059 55.326 ( -5.214 -5.214 0.129) 7.375 55.450 ( -1.140 -1.140 -4.100) 4.405 56.333 ( -7.695 -7.695 -4.468) 11.764 ======================= Grid point 102 (21/35) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 12.880 9.341 5.947) 16.986 1.957 ( 11.105 11.250 3.029) 16.095 2.253 ( -7.261 2.361 -0.329) 7.642 2.304 ( -1.314 2.978 1.083) 3.431 2.363 ( 4.268 -0.404 0.024) 4.287 2.534 ( -1.496 -2.296 0.946) 2.899 2.572 ( -0.524 -0.474 -0.459) 0.842 2.669 ( -0.852 -2.154 -1.098) 2.563 2.759 ( 0.453 3.549 1.528) 3.891 2.851 ( 1.756 1.321 2.797) 3.556 2.884 ( 1.800 2.541 2.130) 3.773 2.911 ( 3.164 1.080 2.607) 4.239 4.305 ( 1.078 -3.198 -2.216) 4.037 4.528 ( 0.170 1.968 -4.998) 5.374 4.588 ( 2.294 -0.557 -6.671) 7.077 5.029 ( 1.903 10.667 11.330) 15.677 5.196 ( 7.570 2.638 15.128) 17.121 5.512 ( 8.978 16.143 0.367) 18.475 6.187 ( -6.130 -9.602 -0.908) 11.428 6.410 ( -1.127 0.579 -4.655) 4.824 6.502 ( 1.373 -4.601 -6.679) 8.226 6.555 ( 0.194 1.061 1.146) 1.574 6.623 ( -0.865 -1.625 -1.065) 2.127 6.859 ( -1.160 0.905 2.623) 3.008 7.022 ( -5.125 11.966 0.832) 13.044 7.293 ( 8.941 3.483 7.248) 12.026 7.980 ( -8.303 -10.428 -1.713) 13.439 8.218 ( 0.560 -1.871 0.383) 1.990 8.287 ( -2.042 -1.249 0.090) 2.395 8.437 ( -7.313 1.662 -1.148) 7.587 8.643 ( 2.622 -6.418 -5.294) 8.723 8.766 ( 0.159 -5.026 -2.382) 5.564 9.609 ( -0.452 0.179 0.894) 1.017 11.666 ( 1.705 16.162 7.484) 17.892 12.010 ( 15.121 2.652 4.671) 16.047 12.125 ( 11.888 8.455 1.794) 14.698 13.648 ( -10.586 -5.942 0.087) 12.140 13.777 ( -14.003 0.601 -3.250) 14.388 14.166 ( 0.082 -15.709 -6.961) 17.182 17.433 ( -1.907 -4.403 -5.080) 6.988 17.775 ( 0.102 0.237 4.438) 4.445 17.900 ( 1.701 3.584 0.030) 3.967 21.716 ( 1.181 4.302 1.040) 4.581 21.940 ( 7.244 1.796 0.931) 7.521 21.993 ( 7.276 3.145 0.914) 7.979 22.271 ( -7.918 -1.579 -1.255) 8.170 22.342 ( -7.517 -0.758 0.135) 7.556 22.536 ( -0.378 -6.492 -1.625) 6.703 23.965 ( -3.436 -7.454 1.788) 8.400 24.243 ( 0.926 3.327 -5.890) 6.827 24.455 ( -0.267 0.196 0.410) 0.527 24.651 ( -0.184 -1.410 -1.793) 2.288 24.695 ( 0.744 0.997 -2.296) 2.611 24.883 ( 2.610 3.931 7.327) 8.715 26.643 ( -0.040 0.744 7.202) 7.240 26.894 ( 0.469 6.013 -1.082) 6.128 26.913 ( -0.190 2.870 -2.625) 3.895 27.129 ( 0.356 1.397 3.414) 3.706 27.198 ( 1.386 2.625 0.697) 3.049 27.540 ( 0.480 -10.465 -5.917) 12.032 27.828 ( -1.797 -1.692 -0.793) 2.593 27.841 ( -1.221 -1.929 -1.233) 2.595 29.162 ( 0.010 -0.216 0.028) 0.218 29.197 ( 0.037 -0.010 -0.228) 0.231 29.201 ( 0.016 -0.177 -0.415) 0.451 29.251 ( -0.034 0.413 0.498) 0.648 29.254 ( 0.174 0.339 0.649) 0.752 29.282 ( 0.278 0.429 -0.146) 0.531 30.763 ( -0.176 -0.487 -0.125) 0.532 30.771 ( -0.111 -0.137 -0.497) 0.527 30.805 ( -0.086 -0.033 0.303) 0.317 35.313 ( -0.266 -0.648 -0.102) 0.707 35.339 ( -0.076 -0.041 -0.485) 0.493 35.345 ( -0.016 -0.206 -0.453) 0.498 35.957 ( -0.196 0.111 0.380) 0.442 35.965 ( 0.024 -0.184 0.608) 0.635 36.012 ( 0.280 0.705 -0.170) 0.777 39.949 ( 0.345 0.800 0.514) 1.011 39.966 ( 0.464 1.055 0.370) 1.210 40.102 ( -0.992 -2.112 -1.072) 2.568 41.872 ( 0.356 0.489 0.414) 0.733 50.803 ( -3.173 -7.130 -0.422) 7.816 51.047 ( -1.486 -1.215 -11.797) 11.952 51.099 ( -0.387 -3.685 -10.221) 10.872 51.544 ( 1.306 4.493 12.220) 13.085 51.605 ( 1.702 2.735 13.636) 14.012 52.072 ( 1.102 4.861 0.770) 5.043 52.102 ( -0.883 -1.920 0.231) 2.126 52.308 ( -0.244 -0.651 -8.758) 8.785 53.056 ( -2.185 6.589 11.838) 13.723 54.182 ( 0.130 9.223 2.989) 9.696 54.381 ( 10.237 -0.544 0.438) 10.260 54.510 ( 8.225 2.654 0.537) 8.659 54.753 ( -5.768 -2.983 -1.008) 6.571 55.042 ( -4.163 0.702 -1.438) 4.460 55.178 ( -0.188 -6.093 -2.335) 6.527 55.226 ( -1.596 2.844 -0.353) 3.280 55.490 ( 4.740 -2.635 -2.389) 5.926 56.174 ( -7.985 -8.173 -4.599) 12.317 ======================= Grid point 103 (22/35) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -0.000 5.734 2.311) 6.182 2.090 ( 0.000 6.984 2.436) 7.397 2.108 ( 0.000 5.547 0.749) 5.598 2.253 ( 0.000 6.518 4.012) 7.654 2.409 ( 0.000 -2.175 -1.353) 2.561 2.516 ( 0.000 -2.354 1.377) 2.727 2.576 ( 0.000 -0.059 -1.652) 1.653 2.655 ( 0.000 -2.882 -0.677) 2.960 2.757 ( 0.000 3.542 1.205) 3.742 2.869 ( 0.000 1.064 2.452) 2.673 2.894 ( 0.000 2.217 2.520) 3.357 2.970 ( 0.000 2.483 3.417) 4.223 4.317 ( 0.000 -4.938 -1.778) 5.249 4.529 ( 0.000 2.039 -6.230) 6.555 4.610 ( 0.000 -1.229 -7.616) 7.715 5.044 ( 0.000 10.604 10.614) 15.004 5.276 ( 0.000 2.263 16.316) 16.473 5.607 ( 0.000 18.166 0.074) 18.166 6.125 ( 0.000 -9.819 -0.951) 9.865 6.392 ( 0.000 -1.919 -6.959) 7.218 6.526 ( 0.000 -1.996 -3.232) 3.799 6.558 ( 0.000 0.834 0.980) 1.287 6.614 ( 0.000 -2.616 -2.346) 3.514 6.842 ( 0.000 2.815 1.667) 3.271 6.962 ( 0.000 10.387 0.142) 10.388 7.396 ( 0.000 8.172 13.054) 15.400 7.884 ( 0.000 -13.708 -8.169) 15.957 8.247 ( 0.000 -2.065 1.951) 2.841 8.260 ( 0.000 -0.099 1.799) 1.802 8.346 ( 0.000 1.299 -0.788) 1.519 8.670 ( 0.000 -6.260 -5.551) 8.367 8.770 ( 0.000 -5.986 -2.523) 6.496 9.605 ( 0.000 0.533 1.159) 1.276 11.682 ( 0.000 16.776 7.581) 18.409 12.182 ( 0.000 2.678 2.307) 3.534 12.253 ( 0.000 5.147 2.369) 5.666 13.531 ( 0.000 -2.756 -0.322) 2.775 13.618 ( 0.000 0.789 -1.072) 1.331 14.169 ( 0.000 -16.321 -7.089) 17.794 17.414 ( 0.000 -4.760 -5.244) 7.082 17.776 ( 0.000 0.175 4.419) 4.422 17.917 ( 0.000 3.822 0.122) 3.824 21.728 ( 0.000 4.932 1.254) 5.089 22.068 ( 0.000 -1.658 -3.491) 3.865 22.097 ( 0.000 -0.268 -0.629) 0.684 22.138 ( -0.000 2.676 1.422) 3.030 22.232 ( 0.000 2.087 3.747) 4.289 22.533 ( 0.000 -7.091 -2.140) 7.407 23.931 ( 0.000 -8.161 1.817) 8.361 24.253 ( 0.000 4.517 -5.594) 7.190 24.452 ( 0.000 0.097 0.212) 0.233 24.650 ( 0.000 -1.991 -1.933) 2.775 24.703 ( 0.000 0.802 -2.644) 2.763 24.909 ( 0.000 3.838 7.494) 8.420 26.643 ( 0.000 1.114 6.798) 6.889 26.893 ( 0.000 0.673 -2.697) 2.779 26.912 ( 0.000 9.063 -0.661) 9.087 27.132 ( 0.000 1.270 3.490) 3.714 27.212 ( 0.000 2.760 0.744) 2.858 27.553 ( 0.000 -11.506 -6.183) 13.062 27.808 ( 0.000 -2.458 -0.564) 2.522 27.828 ( 0.000 -1.297 -1.266) 1.813 29.162 ( 0.000 -0.229 0.047) 0.234 29.197 ( 0.000 -0.135 -0.269) 0.301 29.202 ( 0.000 -0.207 -0.466) 0.510 29.250 ( 0.000 0.481 0.508) 0.699 29.256 ( 0.000 0.357 0.699) 0.785 29.285 ( 0.000 0.476 -0.193) 0.514 30.762 ( 0.000 -0.529 -0.121) 0.543 30.770 ( 0.000 -0.127 -0.511) 0.527 30.804 ( 0.000 0.004 0.354) 0.354 35.310 ( 0.000 -0.744 -0.091) 0.750 35.338 ( 0.000 -0.037 -0.617) 0.618 35.345 ( 0.000 -0.266 -0.456) 0.528 35.955 ( 0.000 0.158 0.368) 0.401 35.966 ( 0.000 -0.168 0.763) 0.781 36.015 ( 0.000 0.817 -0.194) 0.840 39.952 ( 0.000 0.976 0.369) 1.044 39.970 ( 0.000 1.133 0.572) 1.269 40.092 ( 0.000 -2.340 -1.108) 2.589 41.875 ( 0.000 0.474 0.412) 0.627 50.772 ( 0.000 -7.636 -0.394) 7.647 51.032 ( 0.000 -1.182 -12.885) 12.939 51.096 ( 0.000 -3.941 -10.155) 10.892 51.557 ( 0.000 4.927 12.367) 13.312 51.621 ( 0.000 2.458 15.377) 15.573 52.066 ( 0.000 -6.290 -0.633) 6.322 52.111 ( 0.000 10.732 1.074) 10.785 52.305 ( 0.000 -0.762 -8.786) 8.819 53.031 ( 0.000 8.294 12.351) 14.877 54.183 ( 0.000 9.161 3.175) 9.695 54.518 ( 0.000 -0.861 -0.138) 0.873 54.613 ( 0.000 1.306 0.407) 1.368 54.661 ( 0.000 -2.584 -0.815) 2.709 54.974 ( -0.000 -2.737 -2.195) 3.508 55.154 ( 0.000 0.978 1.200) 1.548 55.233 ( 0.000 -1.760 -4.081) 4.444 55.559 ( 0.000 -2.358 -1.769) 2.947 56.081 ( 0.000 -8.691 -4.762) 9.910 ======================= Grid point 111 (23/35) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 8.866 8.866 2.850) 12.859 2.135 ( 6.685 6.685 -0.056) 9.454 2.298 ( -0.636 -0.636 -1.521) 1.767 2.301 ( -0.799 -0.799 -0.219) 1.150 2.371 ( 1.193 1.193 0.562) 1.778 2.493 ( -1.772 -1.772 2.181) 3.323 2.563 ( -0.118 -0.118 0.810) 0.827 2.628 ( -2.091 -2.091 -1.057) 3.141 2.824 ( 2.068 2.068 2.471) 3.829 2.874 ( 1.420 1.420 2.587) 3.275 2.915 ( 0.851 0.851 2.208) 2.515 2.972 ( 4.473 4.473 4.982) 8.052 4.253 ( -2.070 -2.070 -1.483) 3.282 4.561 ( 1.035 1.035 -8.819) 8.940 4.585 ( 0.371 0.371 -9.757) 9.771 5.210 ( 5.496 5.496 13.590) 15.656 5.241 ( 3.865 3.865 14.082) 15.106 5.798 ( 11.982 11.982 -0.968) 16.972 6.025 ( -6.512 -6.512 0.338) 9.215 6.391 ( -3.076 -3.076 -9.446) 10.400 6.466 ( 1.826 1.826 -1.456) 2.964 6.569 ( 0.278 0.278 0.149) 0.421 6.596 ( -1.208 -1.208 -1.078) 2.020 6.869 ( 0.192 0.192 -1.077) 1.110 7.233 ( 3.339 3.339 8.431) 9.663 7.317 ( 5.797 5.797 -3.643) 8.972 7.775 ( -10.423 -10.423 2.119) 14.892 8.191 ( -0.313 -0.313 0.523) 0.686 8.268 ( -0.714 -0.714 2.687) 2.870 8.400 ( -5.523 -5.523 1.236) 7.908 8.582 ( 0.337 0.337 -6.698) 6.715 8.700 ( -1.820 -1.820 -1.320) 2.892 9.613 ( 0.164 0.164 1.600) 1.617 11.954 ( 9.797 9.797 4.621) 14.606 12.089 ( 7.727 7.727 4.500) 11.818 12.279 ( 6.345 6.345 1.249) 9.059 13.534 ( -4.917 -4.917 0.316) 6.961 13.754 ( -5.787 -5.787 -3.458) 8.885 13.890 ( -8.774 -8.774 -3.834) 12.987 17.365 ( -2.502 -2.502 -5.272) 6.350 17.776 ( -0.017 -0.017 4.793) 4.793 17.957 ( 2.091 2.091 -0.321) 2.974 21.798 ( 3.613 3.613 -0.439) 5.128 21.987 ( 3.238 3.238 -0.383) 4.595 22.053 ( 2.724 2.724 -1.347) 4.081 22.236 ( -2.237 -2.237 0.335) 3.182 22.306 ( -3.009 -3.009 0.300) 4.267 22.427 ( -3.865 -3.865 1.629) 5.704 23.843 ( -4.767 -4.767 2.901) 7.339 24.313 ( 3.533 3.533 -6.114) 7.896 24.457 ( -0.066 -0.066 0.550) 0.558 24.604 ( -2.574 -2.574 -4.452) 5.750 24.719 ( 0.898 0.898 -2.794) 3.069 24.947 ( 2.422 2.422 9.058) 9.684 26.657 ( 0.707 0.707 6.899) 6.971 26.869 ( -1.284 -1.284 -4.280) 4.649 27.064 ( 4.211 4.211 0.791) 6.007 27.170 ( 2.626 2.626 1.314) 3.939 27.239 ( 1.560 1.560 0.569) 2.279 27.380 ( -4.767 -4.767 -4.112) 7.897 27.778 ( -2.811 -2.811 -0.640) 4.027 27.820 ( -0.685 -0.685 -0.975) 1.375 29.160 ( 0.004 0.004 0.198) 0.198 29.196 ( -0.053 -0.053 -0.382) 0.389 29.197 ( -0.155 -0.155 -0.426) 0.479 29.256 ( 0.128 0.128 0.500) 0.532 29.258 ( 0.103 0.103 0.530) 0.549 29.291 ( 0.397 0.397 -0.288) 0.632 30.756 ( -0.260 -0.260 -0.092) 0.379 30.769 ( -0.095 -0.095 -0.545) 0.561 30.805 ( -0.020 -0.020 0.518) 0.519 35.302 ( -0.431 -0.431 -0.011) 0.609 35.338 ( -0.033 -0.033 -0.674) 0.675 35.341 ( -0.153 -0.153 -0.702) 0.735 35.959 ( 0.026 0.026 0.728) 0.729 35.962 ( -0.098 -0.098 0.757) 0.770 36.024 ( 0.480 0.480 -0.375) 0.775 39.965 ( 0.814 0.814 0.394) 1.216 39.983 ( 0.632 0.632 0.140) 0.905 40.065 ( -1.583 -1.583 -0.673) 2.338 41.880 ( 0.332 0.332 0.446) 0.647 50.693 ( -3.976 -3.976 -0.037) 5.623 51.032 ( -0.728 -0.728 -12.600) 12.642 51.048 ( -1.435 -1.435 -12.839) 12.998 51.608 ( 2.184 2.184 15.803) 16.103 51.638 ( 0.990 0.990 16.088) 16.149 52.002 ( -3.184 -3.184 -0.002) 4.503 52.229 ( 5.674 5.674 -0.426) 8.036 52.301 ( -0.206 -0.206 -9.429) 9.434 53.133 ( 1.842 1.842 13.392) 13.643 54.361 ( 4.666 4.666 0.926) 6.663 54.384 ( 4.712 4.712 1.138) 6.761 54.583 ( 4.868 4.868 0.176) 6.887 54.679 ( -4.649 -4.649 -0.567) 6.599 55.021 ( -4.886 -4.886 -3.118) 7.580 55.041 ( -4.259 -4.259 -2.446) 6.500 55.329 ( 5.070 5.070 -0.224) 7.173 55.472 ( 1.610 1.610 -1.969) 3.010 56.003 ( -8.941 -8.941 -4.518) 13.428 ======================= Grid point 112 (24/35) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -0.000 4.998 -1.317) 5.169 2.205 ( 0.000 3.764 -2.008) 4.266 2.221 ( 0.000 6.098 2.679) 6.661 2.328 ( 0.000 -0.492 -0.003) 0.492 2.375 ( -0.000 0.152 0.521) 0.543 2.476 ( 0.000 -1.601 2.647) 3.093 2.571 ( 0.000 -0.383 -0.062) 0.388 2.599 ( -0.000 -2.741 0.088) 2.742 2.837 ( 0.000 4.194 2.366) 4.815 2.896 ( 0.000 1.475 2.534) 2.932 2.922 ( 0.000 0.351 2.846) 2.867 3.025 ( 0.000 3.010 4.729) 5.605 4.232 ( 0.000 -3.552 -1.192) 3.747 4.569 ( 0.000 1.673 -10.212) 10.348 4.592 ( 0.000 -0.672 -10.754) 10.775 5.237 ( 0.000 8.458 13.057) 15.557 5.312 ( 0.000 1.464 14.756) 14.828 5.920 ( 0.000 12.419 -1.513) 12.511 5.959 ( 0.000 -6.649 0.656) 6.682 6.355 ( 0.000 -1.104 -8.300) 8.373 6.505 ( 0.000 0.011 -1.715) 1.715 6.564 ( 0.000 -0.075 -0.647) 0.651 6.582 ( 0.000 -1.125 -1.538) 1.906 6.870 ( 0.000 0.721 -2.462) 2.566 7.199 ( 0.000 12.717 3.161) 13.104 7.489 ( 0.000 0.998 8.646) 8.703 7.610 ( -0.000 -13.167 -5.972) 14.458 8.202 ( 0.000 -1.732 0.914) 1.958 8.261 ( -0.000 0.010 4.521) 4.521 8.321 ( 0.000 -3.942 2.523) 4.680 8.592 ( 0.000 -1.616 -6.539) 6.735 8.686 ( 0.000 -2.348 -1.434) 2.752 9.615 ( 0.000 0.430 1.865) 1.914 12.020 ( 0.000 16.912 4.489) 17.497 12.228 ( 0.000 1.831 2.405) 3.023 12.334 ( 0.000 2.171 1.536) 2.660 13.489 ( 0.000 -0.829 0.123) 0.838 13.632 ( -0.000 0.629 -1.579) 1.700 13.842 ( 0.000 -16.219 -3.728) 16.642 17.340 ( 0.000 -2.740 -5.348) 6.009 17.776 ( 0.000 -0.076 4.826) 4.826 17.977 ( 0.000 2.242 -0.347) 2.269 21.835 ( 0.000 5.865 -0.562) 5.892 22.043 ( 0.000 -0.945 -4.591) 4.687 22.075 ( 0.000 -2.217 -2.968) 3.704 22.198 ( -0.000 3.587 2.601) 4.431 22.267 ( 0.000 1.442 4.332) 4.565 22.393 ( 0.000 -6.943 1.245) 7.054 23.795 ( 0.000 -5.399 3.120) 6.236 24.355 ( -0.000 5.773 -5.739) 8.140 24.454 ( 0.000 0.126 0.417) 0.435 24.575 ( 0.000 -4.906 -5.232) 7.173 24.727 ( 0.000 1.015 -3.013) 3.180 24.971 ( 0.000 2.354 9.458) 9.746 26.666 ( 0.000 1.152 6.580) 6.680 26.857 ( 0.000 -1.427 -4.536) 4.756 27.094 ( 0.000 4.310 2.434) 4.950 27.188 ( 0.000 6.038 -0.241) 6.043 27.255 ( 0.000 1.627 0.551) 1.718 27.356 ( 0.000 -8.062 -4.020) 9.008 27.745 ( 0.000 -3.503 -0.239) 3.511 27.813 ( 0.000 -0.531 -0.984) 1.118 29.161 ( 0.000 0.025 0.233) 0.234 29.195 ( 0.000 -0.074 -0.375) 0.382 29.197 ( 0.000 -0.260 -0.448) 0.518 29.257 ( 0.000 0.221 0.446) 0.498 29.259 ( -0.000 0.036 0.519) 0.520 29.295 ( 0.000 0.453 -0.331) 0.561 30.754 ( 0.000 -0.295 -0.080) 0.305 30.768 ( 0.000 -0.088 -0.562) 0.568 30.804 ( 0.000 0.008 0.591) 0.591 35.297 ( 0.000 -0.497 -0.001) 0.497 35.338 ( 0.000 -0.006 -0.787) 0.787 35.340 ( -0.000 -0.218 -0.731) 0.763 35.958 ( 0.000 0.159 0.746) 0.763 35.962 ( 0.000 -0.191 0.888) 0.909 36.029 ( 0.000 0.562 -0.411) 0.696 39.975 ( 0.000 1.312 0.216) 1.329 39.989 ( 0.000 0.707 0.243) 0.748 40.048 ( 0.000 -2.137 -0.579) 2.214 41.883 ( 0.000 0.322 0.455) 0.557 50.655 ( 0.000 -4.249 -0.018) 4.249 51.021 ( 0.000 -0.226 -13.598) 13.600 51.039 ( -0.000 -2.014 -12.828) 12.985 51.629 ( 0.000 2.534 16.333) 16.528 51.647 ( -0.000 0.670 17.379) 17.391 51.971 ( 0.000 -3.401 -0.027) 3.401 52.286 ( 0.000 6.291 -1.159) 6.397 52.298 ( -0.000 0.315 -9.175) 9.180 53.147 ( 0.000 3.798 13.966) 14.473 54.369 ( 0.000 9.293 1.218) 9.372 54.502 ( 0.000 -0.778 0.217) 0.807 54.601 ( 0.000 -3.241 -0.258) 3.251 54.655 ( 0.000 2.908 0.033) 2.908 54.925 ( -0.000 -1.975 -2.647) 3.302 55.021 ( 0.000 -8.796 -2.899) 9.261 55.369 ( 0.000 9.885 -1.108) 9.947 55.523 ( 0.000 -1.303 -1.515) 1.998 55.892 ( -0.000 -10.374 -4.561) 11.332 ======================= Grid point 125 (25/35) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -0.000 -0.000 -4.605) 4.605 2.242 ( 0.000 0.000 -2.680) 2.680 2.292 ( 0.000 0.000 1.199) 1.199 2.292 ( 0.000 0.000 1.199) 1.199 2.382 ( 0.000 0.000 2.100) 2.100 2.461 ( 0.000 0.000 3.326) 3.326 2.567 ( 0.000 0.000 0.532) 0.532 2.567 ( 0.000 0.000 0.532) 0.532 2.892 ( -0.000 -0.000 2.145) 2.145 2.913 ( 0.000 0.000 2.920) 2.920 2.913 ( 0.000 0.000 2.920) 2.920 3.060 ( 0.000 0.000 4.854) 4.854 4.195 ( 0.000 0.000 -1.072) 1.072 4.585 ( 0.000 0.000 -11.643) 11.643 4.585 ( 0.000 0.000 -11.643) 11.643 5.327 ( 0.000 0.000 13.938) 13.938 5.327 ( 0.000 0.000 13.938) 13.938 5.890 ( 0.000 0.000 0.952) 0.952 6.036 ( 0.000 0.000 -2.359) 2.359 6.358 ( 0.000 0.000 -8.140) 8.140 6.518 ( 0.000 0.000 -0.699) 0.699 6.563 ( -0.000 -0.000 -1.721) 1.721 6.563 ( 0.000 0.000 -1.721) 1.721 6.876 ( 0.000 0.000 -3.896) 3.896 7.384 ( -0.000 -0.000 17.715) 17.715 7.453 ( 0.000 0.000 -6.422) 6.422 7.453 ( 0.000 0.000 -6.422) 6.422 8.193 ( 0.000 0.000 0.442) 0.442 8.260 ( 0.000 0.000 5.591) 5.591 8.260 ( 0.000 0.000 5.591) 5.591 8.579 ( 0.000 0.000 -6.082) 6.082 8.670 ( 0.000 0.000 -2.060) 2.060 9.619 ( 0.000 0.000 2.121) 2.121 12.246 ( 0.000 0.000 2.427) 2.427 12.246 ( 0.000 0.000 2.427) 2.427 12.314 ( -0.000 -0.000 1.565) 1.565 13.507 ( 0.000 0.000 0.093) 0.093 13.639 ( -0.000 -0.000 -1.729) 1.729 13.639 ( 0.000 0.000 -1.729) 1.729 17.313 ( 0.000 0.000 -5.393) 5.393 17.775 ( 0.000 0.000 4.870) 4.870 17.999 ( 0.000 0.000 -0.407) 0.407 21.914 ( 0.000 0.000 -1.101) 1.101 22.034 ( -0.000 -0.000 -4.961) 4.961 22.034 ( 0.000 0.000 -4.961) 4.961 22.275 ( 0.000 0.000 2.297) 2.297 22.282 ( -0.000 -0.000 4.359) 4.359 22.282 ( -0.000 -0.000 4.359) 4.359 23.741 ( 0.000 0.000 3.390) 3.390 24.456 ( 0.000 0.000 0.499) 0.499 24.456 ( 0.000 0.000 0.499) 0.499 24.482 ( -0.000 -0.000 -12.171) 12.171 24.737 ( 0.000 0.000 -3.271) 3.271 24.994 ( 0.000 0.000 9.945) 9.945 26.679 ( 0.000 0.000 6.313) 6.313 26.843 ( 0.000 0.000 -4.792) 4.792 27.121 ( 0.000 0.000 4.440) 4.440 27.272 ( 0.000 0.000 -3.202) 3.202 27.272 ( 0.000 0.000 -3.202) 3.202 27.272 ( -0.000 -0.000 0.543) 0.543 27.702 ( 0.000 0.000 0.375) 0.375 27.808 ( 0.000 0.000 -0.954) 0.954 29.161 ( 0.000 0.000 0.272) 0.272 29.194 ( 0.000 0.000 -0.404) 0.404 29.194 ( 0.000 0.000 -0.404) 0.404 29.259 ( 0.000 0.000 0.427) 0.427 29.259 ( 0.000 0.000 0.427) 0.427 29.299 ( 0.000 0.000 -0.374) 0.374 30.751 ( 0.000 0.000 -0.062) 0.062 30.767 ( 0.000 0.000 -0.580) 0.580 30.804 ( 0.000 0.000 0.670) 0.670 35.292 ( 0.000 0.000 0.005) 0.005 35.338 ( 0.000 0.000 -0.831) 0.831 35.338 ( 0.000 0.000 -0.831) 0.831 35.960 ( 0.000 0.000 0.891) 0.891 35.960 ( 0.000 0.000 0.891) 0.891 36.034 ( 0.000 0.000 -0.447) 0.447 39.996 ( 0.000 0.000 0.119) 0.119 39.996 ( 0.000 0.000 0.119) 0.119 40.019 ( 0.000 0.000 -0.341) 0.341 41.886 ( 0.000 0.000 0.469) 0.469 50.614 ( 0.000 0.000 -0.004) 0.004 51.019 ( 0.000 0.000 -13.706) 13.706 51.019 ( 0.000 0.000 -13.706) 13.706 51.653 ( 0.000 0.000 17.746) 17.746 51.653 ( 0.000 0.000 17.746) 17.746 51.938 ( 0.000 0.000 0.003) 0.003 52.295 ( 0.000 0.000 -9.986) 9.986 52.355 ( 0.000 0.000 -0.761) 0.761 53.183 ( 0.000 0.000 14.562) 14.562 54.493 ( 0.000 0.000 0.356) 0.356 54.493 ( 0.000 0.000 0.356) 0.356 54.542 ( 0.000 0.000 -0.001) 0.001 54.707 ( 0.000 0.000 -0.026) 0.026 54.905 ( -0.000 -0.000 -2.847) 2.847 54.905 ( 0.000 0.000 -2.847) 2.847 55.510 ( 0.000 0.000 -1.430) 1.430 55.510 ( 0.000 0.000 -1.430) 1.430 55.747 ( -0.000 -0.000 -4.667) 4.667 ======================= Grid point 182 (26/35) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 10.232 10.232 10.232) 17.722 1.823 ( 10.232 10.232 10.232) 17.722 2.270 ( 6.480 6.480 6.480) 11.224 2.330 ( -1.977 -1.977 -1.977) 3.425 2.330 ( -1.977 -1.977 -1.977) 3.425 2.544 ( -0.050 -0.050 -0.050) 0.087 2.637 ( -1.487 -1.487 -1.487) 2.576 2.637 ( -1.487 -1.487 -1.487) 2.576 2.767 ( 4.572 4.572 4.572) 7.919 2.878 ( 1.952 1.952 1.952) 3.381 2.878 ( 1.952 1.952 1.952) 3.381 2.910 ( 1.670 1.670 1.670) 2.892 4.253 ( -0.826 -0.826 -0.826) 1.431 4.485 ( -1.353 -1.353 -1.353) 2.344 4.485 ( -1.353 -1.353 -1.353) 2.344 5.219 ( 10.684 10.684 10.684) 18.506 5.219 ( 10.684 10.684 10.684) 18.506 5.384 ( 6.458 6.458 6.458) 11.186 6.314 ( -6.147 -6.147 -6.147) 10.647 6.314 ( -6.147 -6.147 -6.147) 10.647 6.393 ( 0.603 0.603 0.603) 1.045 6.590 ( -0.261 -0.261 -0.261) 0.453 6.590 ( -0.261 -0.261 -0.261) 0.453 7.041 ( 2.163 2.163 2.163) 3.746 7.041 ( 2.163 2.163 2.163) 3.746 7.171 ( 2.212 2.212 2.212) 3.832 8.204 ( -5.648 -5.648 -5.648) 9.783 8.218 ( -0.712 -0.712 -0.712) 1.234 8.218 ( -0.712 -0.712 -0.712) 1.234 8.518 ( -2.754 -2.754 -2.754) 4.770 8.518 ( -2.754 -2.754 -2.754) 4.770 8.732 ( -2.050 -2.050 -2.050) 3.550 9.626 ( 0.295 0.295 0.295) 0.510 11.762 ( 8.567 8.567 8.567) 14.838 11.935 ( 9.572 9.572 9.572) 16.579 11.935 ( 9.572 9.572 9.572) 16.579 13.852 ( -7.303 -7.303 -7.303) 12.649 13.852 ( -7.303 -7.303 -7.303) 12.649 14.053 ( -7.326 -7.326 -7.326) 12.688 17.397 ( -4.164 -4.164 -4.164) 7.212 17.852 ( 1.828 1.828 1.828) 3.166 17.852 ( 1.828 1.828 1.828) 3.166 21.710 ( 1.867 1.867 1.867) 3.234 21.904 ( 3.855 3.855 3.855) 6.677 21.904 ( 3.855 3.855 3.855) 6.677 22.374 ( -3.871 -3.871 -3.871) 6.705 22.374 ( -3.871 -3.871 -3.871) 6.705 22.535 ( -1.757 -1.757 -1.757) 3.044 24.094 ( -2.174 -2.174 -2.174) 3.766 24.094 ( -2.174 -2.174 -2.174) 3.766 24.467 ( 0.291 0.291 0.291) 0.504 24.648 ( -0.774 -0.774 -0.774) 1.341 24.648 ( -0.774 -0.774 -0.774) 1.341 24.932 ( 5.470 5.470 5.470) 9.474 26.811 ( 3.491 3.491 3.491) 6.046 26.811 ( 3.491 3.491 3.491) 6.046 26.877 ( -2.590 -2.590 -2.590) 4.485 27.176 ( 1.828 1.828 1.828) 3.166 27.176 ( 1.828 1.828 1.828) 3.166 27.458 ( -5.324 -5.324 -5.324) 9.222 27.840 ( -1.678 -1.678 -1.678) 2.907 27.840 ( -1.678 -1.678 -1.678) 2.907 29.162 ( 0.010 0.010 0.010) 0.018 29.195 ( -0.131 -0.131 -0.131) 0.227 29.195 ( -0.131 -0.131 -0.131) 0.227 29.259 ( 0.368 0.368 0.368) 0.638 29.259 ( 0.368 0.368 0.368) 0.638 29.276 ( 0.116 0.116 0.116) 0.202 30.765 ( -0.285 -0.285 -0.285) 0.494 30.765 ( -0.285 -0.285 -0.285) 0.494 30.810 ( 0.085 0.085 0.085) 0.146 35.315 ( -0.313 -0.313 -0.313) 0.543 35.337 ( -0.326 -0.326 -0.326) 0.565 35.337 ( -0.326 -0.326 -0.326) 0.565 35.968 ( 0.232 0.232 0.232) 0.402 35.968 ( 0.232 0.232 0.232) 0.402 36.006 ( 0.165 0.165 0.165) 0.286 39.957 ( 0.607 0.607 0.607) 1.052 39.957 ( 0.607 0.607 0.607) 1.052 40.101 ( -1.464 -1.464 -1.464) 2.535 41.872 ( 0.535 0.535 0.535) 0.927 50.850 ( -3.690 -3.690 -3.690) 6.391 50.963 ( -4.831 -4.831 -4.831) 8.368 50.963 ( -4.831 -4.831 -4.831) 8.368 51.693 ( 6.745 6.745 6.745) 11.684 51.693 ( 6.745 6.745 6.745) 11.684 52.072 ( 3.643 3.643 3.643) 6.309 52.164 ( -3.266 -3.266 -3.266) 5.658 52.164 ( -3.266 -3.266 -3.266) 5.658 53.237 ( 4.800 4.800 4.800) 8.314 54.242 ( 4.189 4.189 4.189) 7.255 54.242 ( 4.189 4.189 4.189) 7.255 54.412 ( 4.456 4.456 4.456) 7.718 54.802 ( -3.120 -3.120 -3.120) 5.405 55.082 ( -0.963 -0.963 -0.963) 1.667 55.082 ( -0.963 -0.963 -0.963) 1.667 55.349 ( -1.463 -1.463 -1.463) 2.534 55.349 ( -1.463 -1.463 -1.463) 2.534 56.212 ( -7.811 -7.811 -7.811) 13.529 ======================= Grid point 183 (27/35) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 8.008 7.043 7.043) 12.780 2.038 ( 8.667 5.191 5.191) 11.358 2.259 ( -4.547 1.111 1.111) 4.811 2.318 ( -0.030 -0.230 -0.230) 0.326 2.362 ( 2.569 0.480 0.480) 2.657 2.545 ( 0.110 -0.160 -0.160) 0.251 2.574 ( -2.680 0.458 0.458) 2.757 2.636 ( -0.402 -1.954 -1.954) 2.792 2.819 ( 0.264 4.141 4.141) 5.862 2.901 ( 1.058 2.441 2.441) 3.610 2.932 ( 2.364 2.737 2.737) 4.535 2.981 ( 5.378 4.217 4.217) 8.030 4.256 ( 0.793 -2.539 -2.539) 3.677 4.454 ( -1.549 -2.941 -2.941) 4.438 4.475 ( -0.231 -4.628 -4.628) 6.550 5.276 ( 0.838 13.103 13.103) 18.549 5.477 ( 10.730 8.953 8.953) 16.596 5.540 ( 7.631 6.844 6.844) 12.326 6.146 ( -6.423 -4.250 -4.250) 8.797 6.267 ( -2.532 -6.979 -6.979) 10.190 6.433 ( 3.096 -1.075 -1.075) 3.450 6.571 ( -0.420 0.216 0.216) 0.519 6.593 ( -0.923 -1.638 -1.638) 2.494 6.971 ( -3.543 3.225 3.225) 5.775 7.026 ( -4.704 4.815 4.815) 8.276 7.356 ( 13.837 -1.998 -1.998) 14.123 7.959 ( -14.567 -0.752 -0.752) 14.606 8.238 ( 2.532 0.588 0.588) 2.665 8.268 ( 1.625 -1.265 -1.265) 2.417 8.418 ( -5.574 -0.050 -0.050) 5.575 8.530 ( 1.422 -5.649 -5.649) 8.114 8.708 ( -0.538 -3.266 -3.266) 4.650 9.631 ( 0.180 1.187 1.187) 1.688 11.862 ( 2.463 12.018 12.018) 17.174 12.117 ( 10.540 5.253 5.253) 12.895 12.186 ( 11.696 5.171 5.171) 13.794 13.632 ( -10.473 -2.819 -2.819) 11.207 13.706 ( -9.365 -2.921 -2.921) 10.235 13.985 ( -0.776 -11.128 -11.128) 15.756 17.333 ( -2.337 -4.804 -4.804) 7.185 17.850 ( -0.074 2.610 2.610) 3.692 17.909 ( 2.068 1.326 1.326) 2.792 21.747 ( 1.669 2.095 2.095) 3.401 21.961 ( 3.177 1.064 1.064) 3.515 22.009 ( 5.184 0.545 0.545) 5.241 22.257 ( -5.791 0.007 0.007) 5.791 22.330 ( -2.484 -1.225 -1.225) 3.028 22.499 ( -1.707 -2.084 -2.084) 3.405 23.988 ( -3.978 -0.998 -0.998) 4.221 24.138 ( 2.032 -2.740 -2.740) 4.375 24.465 ( -0.490 0.502 0.502) 0.863 24.624 ( -0.793 -2.404 -2.404) 3.491 24.649 ( 0.091 -1.338 -1.338) 1.894 25.015 ( 2.968 5.960 5.960) 8.936 26.788 ( -0.993 5.358 5.358) 7.642 26.838 ( -1.382 -3.150 -3.150) 4.664 26.925 ( 3.278 4.046 4.046) 6.594 27.189 ( 0.365 2.354 2.354) 3.349 27.219 ( 1.563 1.580 1.580) 2.727 27.401 ( -0.576 -7.579 -7.579) 10.734 27.807 ( -1.635 -1.918 -1.918) 3.167 27.810 ( -1.158 -1.278 -1.278) 2.147 29.163 ( 0.058 0.088 0.088) 0.138 29.192 ( -0.086 -0.216 -0.216) 0.317 29.194 ( -0.053 -0.320 -0.320) 0.455 29.261 ( -0.033 0.443 0.443) 0.628 29.266 ( 0.273 0.405 0.405) 0.635 29.280 ( 0.183 0.007 0.007) 0.184 30.760 ( -0.191 -0.297 -0.297) 0.461 30.762 ( -0.124 -0.318 -0.318) 0.466 30.811 ( 0.029 0.248 0.248) 0.352 35.309 ( -0.258 -0.324 -0.324) 0.527 35.329 ( -0.317 -0.462 -0.462) 0.726 35.334 ( -0.077 -0.599 -0.599) 0.850 35.967 ( -0.143 0.589 0.589) 0.845 35.976 ( 0.309 0.380 0.380) 0.620 36.010 ( 0.231 0.076 0.076) 0.254 39.962 ( 0.165 0.767 0.767) 1.098 39.975 ( 0.767 0.543 0.543) 1.085 40.076 ( -1.069 -1.503 -1.503) 2.379 41.881 ( 0.355 0.541 0.541) 0.843 50.776 ( -3.101 -3.323 -3.323) 5.631 50.872 ( -3.131 -5.292 -5.292) 8.112 50.935 ( -0.511 -6.863 -6.863) 9.720 51.757 ( 1.923 9.523 9.523) 13.605 51.821 ( 4.628 8.145 8.145) 12.413 52.067 ( -3.145 -2.203 -2.203) 4.427 52.137 ( 2.354 3.811 3.811) 5.882 52.164 ( -0.015 -4.881 -4.881) 6.903 53.274 ( -0.071 9.483 9.483) 13.412 54.268 ( 0.615 5.836 5.836) 8.276 54.392 ( 8.603 0.673 0.673) 8.655 54.531 ( 7.179 1.958 1.958) 7.694 54.721 ( -5.200 -2.336 -2.336) 6.160 55.000 ( -5.871 -2.687 -2.687) 6.994 55.091 ( 0.183 -6.071 -6.071) 8.587 55.260 ( -2.923 3.617 3.617) 5.891 55.440 ( 6.090 -2.301 -2.301) 6.905 56.050 ( -8.233 -8.008 -8.008) 14.001 ======================= Grid point 184 (28/35) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -0.000 2.308 2.308) 3.264 2.127 ( 0.000 2.546 2.546) 3.601 2.181 ( 0.000 5.273 5.273) 7.457 2.320 ( 0.000 2.281 2.281) 3.226 2.380 ( 0.000 -1.083 -1.083) 1.532 2.547 ( 0.000 -0.339 -0.339) 0.480 2.547 ( 0.000 0.582 0.582) 0.823 2.630 ( 0.000 -1.682 -1.682) 2.379 2.815 ( 0.000 4.495 4.495) 6.357 2.910 ( 0.000 2.336 2.336) 3.303 2.956 ( 0.000 3.237 3.237) 4.578 3.046 ( 0.000 3.925 3.925) 5.551 4.267 ( 0.000 -3.278 -3.278) 4.635 4.436 ( 0.000 -3.602 -3.602) 5.095 4.472 ( 0.000 -5.914 -5.914) 8.364 5.281 ( 0.000 12.770 12.770) 18.059 5.588 ( 0.000 9.251 9.251) 13.083 5.621 ( 0.000 7.544 7.544) 10.669 6.082 ( 0.000 -4.136 -4.136) 5.849 6.238 ( 0.000 -6.605 -6.605) 9.340 6.479 ( 0.000 -1.408 -1.408) 1.991 6.568 ( 0.000 -0.126 -0.126) 0.178 6.571 ( 0.000 -2.172 -2.172) 3.071 6.932 ( 0.000 2.403 2.403) 3.399 6.969 ( 0.000 5.199 5.199) 7.353 7.593 ( 0.000 0.842 0.842) 1.191 7.716 ( 0.000 -3.588 -3.588) 5.074 8.282 ( 0.000 0.438 0.438) 0.620 8.304 ( -0.000 1.119 1.119) 1.583 8.323 ( 0.000 0.817 0.817) 1.156 8.548 ( 0.000 -6.204 -6.204) 8.773 8.704 ( 0.000 -3.871 -3.871) 5.475 9.632 ( 0.000 1.549 1.549) 2.190 11.883 ( 0.000 12.712 12.712) 17.977 12.237 ( 0.000 3.079 3.079) 4.355 12.314 ( 0.000 3.626 3.626) 5.128 13.516 ( 0.000 -1.311 -1.311) 1.854 13.597 ( 0.000 -0.718 -0.718) 1.016 13.981 ( 0.000 -11.859 -11.859) 16.771 17.310 ( 0.000 -5.053 -5.053) 7.146 17.850 ( 0.000 2.533 2.533) 3.582 17.929 ( 0.000 1.503 1.503) 2.126 21.764 ( 0.000 2.570 2.570) 3.635 22.004 ( 0.000 -3.014 -3.014) 4.262 22.069 ( 0.000 -2.381 -2.381) 3.367 22.187 ( -0.000 3.484 3.484) 4.928 22.298 ( 0.000 2.984 2.984) 4.220 22.480 ( 0.000 -3.079 -3.079) 4.355 23.949 ( 0.000 -1.477 -1.477) 2.089 24.160 ( 0.000 -1.884 -1.884) 2.665 24.458 ( 0.000 0.371 0.371) 0.525 24.617 ( 0.000 -3.172 -3.172) 4.486 24.650 ( 0.000 -1.353 -1.353) 1.913 25.044 ( 0.000 6.103 6.103) 8.631 26.778 ( 0.000 5.069 5.069) 7.168 26.825 ( 0.000 -3.300 -3.300) 4.667 26.952 ( 0.000 5.287 5.287) 7.476 27.192 ( 0.000 2.288 2.288) 3.235 27.234 ( 0.000 1.659 1.659) 2.347 27.405 ( 0.000 -8.450 -8.450) 11.950 27.789 ( 0.000 -1.999 -1.999) 2.828 27.799 ( 0.000 -1.116 -1.116) 1.579 29.164 ( 0.000 0.110 0.110) 0.155 29.191 ( 0.000 -0.269 -0.269) 0.380 29.193 ( 0.000 -0.354 -0.354) 0.501 29.260 ( 0.000 0.427 0.427) 0.604 29.269 ( 0.000 0.425 0.425) 0.602 29.281 ( 0.000 -0.005 -0.005) 0.008 30.758 ( 0.000 -0.321 -0.321) 0.454 30.761 ( 0.000 -0.310 -0.310) 0.439 30.811 ( 0.000 0.309 0.309) 0.436 35.306 ( 0.000 -0.356 -0.356) 0.503 35.325 ( 0.000 -0.545 -0.545) 0.771 35.334 ( 0.000 -0.649 -0.649) 0.918 35.965 ( 0.000 0.636 0.636) 0.899 35.979 ( 0.000 0.482 0.482) 0.682 36.013 ( 0.000 0.091 0.091) 0.129 39.963 ( 0.000 0.757 0.757) 1.071 39.983 ( 0.000 0.686 0.686) 0.970 40.065 ( 0.000 -1.611 -1.611) 2.278 41.885 ( 0.000 0.541 0.541) 0.765 50.745 ( 0.000 -3.489 -3.489) 4.935 50.842 ( 0.000 -5.698 -5.698) 8.058 50.931 ( 0.000 -6.978 -6.978) 9.868 51.775 ( 0.000 9.891 9.891) 13.988 51.866 ( 0.000 8.999 8.999) 12.727 52.037 ( 0.000 -2.834 -2.834) 4.008 52.160 ( 0.000 4.684 4.684) 6.624 52.163 ( 0.000 -4.877 -4.877) 6.897 53.268 ( 0.000 11.100 11.100) 15.697 54.273 ( 0.000 6.019 6.019) 8.513 54.514 ( 0.000 -0.331 -0.331) 0.468 54.626 ( 0.000 1.004 1.004) 1.420 54.635 ( 0.000 -1.855 -1.855) 2.624 54.917 ( -0.000 -3.417 -3.417) 4.833 55.092 ( 0.000 -7.351 -7.351) 10.396 55.235 ( 0.000 4.552 4.552) 6.438 55.520 ( 0.000 -1.990 -1.990) 2.814 55.952 ( 0.000 -8.356 -8.356) 11.817 ======================= Grid point 192 (29/35) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 4.248 4.248 3.439) 6.923 2.137 ( 4.082 4.082 0.223) 5.777 2.289 ( 0.637 0.637 0.906) 1.277 2.305 ( 0.531 0.531 0.724) 1.043 2.378 ( 0.672 0.672 0.062) 0.952 2.535 ( -0.685 -0.685 1.875) 2.110 2.575 ( -0.376 -0.376 0.380) 0.653 2.605 ( -1.049 -1.049 -1.361) 2.013 2.886 ( 2.168 2.168 3.671) 4.782 2.947 ( 1.903 1.903 4.736) 5.447 2.974 ( 1.777 1.777 3.687) 4.462 3.067 ( 4.303 4.303 4.220) 7.405 4.216 ( -1.466 -1.466 -2.144) 2.983 4.403 ( -2.146 -2.146 -7.209) 7.822 4.413 ( -2.044 -2.044 -7.770) 8.291 5.490 ( 5.356 5.356 14.631) 16.476 5.520 ( 4.172 4.172 14.027) 15.217 5.774 ( 10.737 10.737 -1.406) 15.250 6.033 ( -5.545 -5.545 0.482) 7.856 6.192 ( -1.974 -1.974 -9.873) 10.260 6.440 ( 1.639 1.639 -0.940) 2.501 6.562 ( -0.874 -0.874 -0.972) 1.572 6.564 ( -1.575 -1.575 -1.954) 2.963 6.937 ( -2.674 -2.674 7.088) 8.034 7.217 ( 3.932 3.932 -6.487) 8.544 7.271 ( 1.894 1.894 -3.628) 4.510 7.884 ( -8.101 -8.101 7.722) 13.816 8.211 ( 0.036 0.036 1.506) 1.507 8.307 ( 2.836 2.836 -0.681) 4.068 8.425 ( -2.298 -2.298 1.210) 3.467 8.446 ( -0.629 -0.629 -4.999) 5.078 8.656 ( -1.881 -1.881 -2.884) 3.923 9.651 ( 0.792 0.792 2.082) 2.364 12.075 ( 7.896 7.896 7.434) 13.415 12.206 ( 5.360 5.360 7.189) 10.447 12.310 ( 6.029 6.029 1.776) 8.709 13.543 ( -4.784 -4.784 0.523) 6.785 13.662 ( -3.713 -3.713 -5.750) 7.787 13.790 ( -6.764 -6.764 -6.146) 11.369 17.259 ( -2.767 -2.767 -5.238) 6.539 17.870 ( 0.176 0.176 4.554) 4.560 17.949 ( 1.979 1.979 -0.461) 2.836 21.794 ( 2.576 2.576 0.145) 3.646 21.969 ( -0.412 -0.412 -1.359) 1.479 22.010 ( -0.293 -0.293 -3.104) 3.132 22.266 ( 0.261 0.261 2.832) 2.856 22.318 ( 0.788 0.788 0.907) 1.437 22.455 ( -2.488 -2.488 0.995) 3.657 23.919 ( -4.088 -4.088 4.815) 7.524 24.160 ( 2.975 2.975 -8.705) 9.669 24.470 ( -0.081 -0.081 0.718) 0.727 24.560 ( -3.120 -3.120 -0.772) 4.479 24.645 ( 0.181 0.181 -4.630) 4.637 25.104 ( 3.185 3.185 6.945) 8.278 26.788 ( -1.801 -1.801 -3.851) 4.617 26.827 ( 0.233 0.233 9.842) 9.847 27.045 ( 5.672 5.672 -2.192) 8.316 27.216 ( 0.581 0.581 2.811) 2.929 27.252 ( 1.306 1.306 0.548) 1.926 27.283 ( -3.652 -3.652 -5.303) 7.402 27.764 ( -2.126 -2.126 -0.667) 3.080 27.792 ( -0.698 -0.698 -1.842) 2.090 29.165 ( 0.106 0.106 0.286) 0.322 29.189 ( -0.132 -0.132 -0.360) 0.405 29.189 ( -0.163 -0.163 -0.387) 0.450 29.266 ( 0.090 0.090 0.496) 0.512 29.268 ( 0.037 0.037 0.483) 0.486 29.284 ( 0.279 0.279 -0.410) 0.570 30.754 ( -0.231 -0.231 -0.125) 0.349 30.759 ( -0.115 -0.115 -0.464) 0.491 30.814 ( 0.131 0.131 0.453) 0.489 35.301 ( -0.372 -0.372 -0.051) 0.528 35.322 ( -0.250 -0.250 -0.858) 0.928 35.325 ( -0.307 -0.307 -0.917) 1.015 35.976 ( 0.213 0.213 0.966) 1.012 35.979 ( 0.130 0.130 0.929) 0.947 36.015 ( 0.332 0.332 -0.474) 0.667 39.975 ( 0.562 0.562 0.658) 1.031 39.986 ( 0.609 0.609 0.185) 0.880 40.048 ( -1.267 -1.267 -0.981) 2.043 41.890 ( 0.357 0.357 0.582) 0.771 50.692 ( -3.792 -3.792 -0.182) 5.366 50.827 ( -1.746 -1.746 -8.615) 8.962 50.840 ( -2.257 -2.257 -8.727) 9.292 51.894 ( 4.111 4.111 13.346) 14.558 51.922 ( 3.437 3.437 12.801) 13.693 52.002 ( -3.177 -3.177 -0.002) 4.493 52.121 ( -0.631 -0.631 -7.992) 8.042 52.228 ( 4.508 4.508 0.073) 6.376 53.400 ( 3.741 3.741 12.989) 14.025 54.388 ( 3.881 3.881 2.029) 5.852 54.413 ( 3.789 3.789 1.755) 5.639 54.592 ( 4.294 4.294 0.934) 6.145 54.660 ( -4.032 -4.032 -1.468) 5.888 54.941 ( -4.729 -4.729 -4.721) 8.186 54.969 ( -4.569 -4.569 -4.993) 8.166 55.340 ( 2.929 2.929 1.646) 4.457 55.429 ( 2.348 2.348 -2.159) 3.961 55.883 ( -8.748 -8.748 -7.624) 14.531 ======================= Grid point 193 (30/35) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 1.948 0.072) 1.949 2.176 ( 0.000 2.041 -0.997) 2.272 2.280 ( 0.000 4.209 3.266) 5.328 2.330 ( 0.000 -0.610 0.466) 0.768 2.383 ( -0.000 0.912 -0.004) 0.912 2.527 ( 0.000 -0.646 2.372) 2.458 2.569 ( 0.000 0.657 -0.154) 0.675 2.596 ( -0.000 -1.772 -0.450) 1.828 2.905 ( 0.000 4.034 4.280) 5.882 2.961 ( 0.000 2.749 4.274) 5.081 2.997 ( 0.000 0.682 4.659) 4.709 3.115 ( 0.000 3.114 3.746) 4.871 4.202 ( 0.000 -3.083 -1.813) 3.577 4.384 ( 0.000 -1.882 -8.583) 8.787 4.390 ( 0.000 -2.690 -9.509) 9.882 5.504 ( 0.000 9.573 13.760) 16.763 5.606 ( 0.000 0.106 14.967) 14.967 5.883 ( 0.000 10.737 -1.983) 10.919 5.975 ( 0.000 -5.476 0.954) 5.559 6.173 ( 0.000 -0.677 -9.222) 9.247 6.473 ( 0.000 0.765 -1.395) 1.591 6.535 ( -0.000 -1.383 -2.197) 2.596 6.553 ( 0.000 -1.516 -1.550) 2.168 6.908 ( 0.000 -1.879 5.471) 5.785 7.163 ( 0.000 11.100 -4.752) 12.075 7.417 ( 0.000 -10.467 -10.044) 14.507 7.749 ( 0.000 -0.817 12.156) 12.183 8.225 ( 0.000 -2.782 1.381) 3.106 8.353 ( -0.000 2.660 1.207) 2.921 8.366 ( 0.000 1.918 2.867) 3.449 8.457 ( 0.000 -3.059 -4.738) 5.639 8.638 ( 0.000 -2.607 -3.148) 4.087 9.658 ( 0.000 1.040 2.427) 2.640 12.138 ( 0.000 12.664 7.374) 14.654 12.288 ( 0.000 2.006 3.606) 4.127 12.371 ( 0.000 1.493 2.124) 2.597 13.492 ( 0.000 -0.405 0.239) 0.471 13.593 ( 0.000 0.051 -2.325) 2.325 13.744 ( 0.000 -11.787 -6.190) 13.314 17.232 ( 0.000 -2.946 -5.412) 6.162 17.871 ( 0.000 0.260 4.592) 4.599 17.969 ( 0.000 1.953 -0.439) 2.001 21.826 ( 0.000 3.733 -0.237) 3.740 21.958 ( -0.000 -1.684 -3.997) 4.338 22.006 ( 0.000 -4.017 -3.950) 5.634 22.264 ( 0.000 4.285 4.025) 5.879 22.344 ( 0.000 1.683 3.412) 3.804 22.419 ( 0.000 -3.332 1.180) 3.535 23.876 ( 0.000 -4.277 4.968) 6.556 24.196 ( -0.000 4.035 -9.099) 9.953 24.465 ( 0.000 0.303 0.608) 0.679 24.529 ( -0.000 -4.925 -0.593) 4.961 24.647 ( 0.000 0.260 -5.023) 5.030 25.135 ( 0.000 3.253 7.247) 7.944 26.770 ( 0.000 -1.923 -4.083) 4.513 26.827 ( 0.000 0.949 9.373) 9.421 27.096 ( 0.000 7.658 -1.669) 7.838 27.216 ( 0.000 0.333 2.489) 2.511 27.256 ( 0.000 -4.878 -4.329) 6.522 27.271 ( 0.000 0.392 -0.397) 0.557 27.740 ( 0.000 -2.512 -0.222) 2.522 27.785 ( 0.000 -0.475 -1.826) 1.887 29.166 ( 0.000 0.139 0.331) 0.359 29.187 ( 0.000 -0.152 -0.363) 0.394 29.188 ( 0.000 -0.219 -0.424) 0.477 29.266 ( 0.000 0.201 0.418) 0.464 29.270 ( 0.000 -0.140 0.512) 0.531 29.287 ( 0.000 0.337 -0.478) 0.585 30.752 ( 0.000 -0.249 -0.114) 0.274 30.757 ( 0.000 -0.109 -0.466) 0.479 30.816 ( 0.000 0.170 0.528) 0.554 35.297 ( 0.000 -0.445 -0.018) 0.446 35.319 ( 0.000 -0.148 -1.010) 1.021 35.322 ( 0.000 -0.445 -0.967) 1.065 35.976 ( 0.000 0.453 1.023) 1.119 35.982 ( 0.000 -0.082 1.101) 1.104 36.019 ( 0.000 0.414 -0.557) 0.694 39.981 ( 0.000 1.040 0.419) 1.121 39.994 ( 0.000 0.428 0.300) 0.523 40.034 ( -0.000 -1.548 -0.837) 1.760 41.894 ( 0.000 0.358 0.597) 0.696 50.654 ( 0.000 -4.098 -0.077) 4.099 50.800 ( 0.000 -0.533 -9.299) 9.314 50.830 ( 0.000 -3.515 -8.821) 9.496 51.925 ( 0.000 5.451 13.806) 14.843 51.962 ( 0.000 2.020 14.621) 14.760 51.970 ( 0.000 -3.091 -0.034) 3.091 52.116 ( 0.000 -0.919 -8.161) 8.213 52.276 ( 0.000 5.824 -0.493) 5.845 53.432 ( 0.000 5.716 14.393) 15.486 54.403 ( 0.000 6.940 2.263) 7.299 54.506 ( 0.000 -0.409 0.232) 0.470 54.590 ( 0.000 -2.744 -0.922) 2.895 54.658 ( 0.000 2.516 0.362) 2.542 54.856 ( -0.000 -2.538 -4.270) 4.968 54.938 ( 0.000 -8.042 -5.481) 9.732 55.356 ( 0.000 7.713 0.198) 7.716 55.489 ( 0.000 -1.108 -1.707) 2.035 55.772 ( -0.000 -9.831 -7.514) 12.374 ======================= Grid point 206 (31/35) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 0.000 0.000 -1.381) 1.381 2.197 ( 0.000 0.000 -1.790) 1.790 2.321 ( 0.000 0.000 1.675) 1.675 2.321 ( 0.000 0.000 1.675) 1.675 2.397 ( 0.000 0.000 -0.336) 0.336 2.522 ( 0.000 0.000 2.726) 2.726 2.574 ( 0.000 0.000 0.194) 0.194 2.574 ( 0.000 0.000 0.194) 0.194 2.951 ( 0.000 0.000 3.806) 3.806 2.994 ( 0.000 0.000 5.236) 5.236 2.994 ( 0.000 0.000 5.236) 5.236 3.149 ( 0.000 0.000 3.446) 3.446 4.168 ( 0.000 0.000 -1.532) 1.532 4.365 ( 0.000 0.000 -10.575) 10.575 4.365 ( 0.000 0.000 -10.575) 10.575 5.608 ( 0.000 0.000 14.296) 14.296 5.608 ( 0.000 0.000 14.296) 14.296 5.915 ( 0.000 0.000 1.624) 1.624 5.980 ( 0.000 0.000 -3.003) 3.003 6.183 ( 0.000 0.000 -8.877) 8.877 6.498 ( 0.000 0.000 -1.252) 1.252 6.521 ( -0.000 -0.000 -2.407) 2.407 6.521 ( 0.000 0.000 -2.407) 2.407 6.886 ( 0.000 0.000 4.109) 4.109 7.302 ( 0.000 0.000 -8.689) 8.689 7.302 ( 0.000 0.000 -8.689) 8.689 7.704 ( 0.000 0.000 14.565) 14.565 8.204 ( 0.000 0.000 0.637) 0.637 8.382 ( 0.000 0.000 6.341) 6.341 8.382 ( 0.000 0.000 6.341) 6.341 8.429 ( 0.000 0.000 -9.024) 9.024 8.613 ( 0.000 0.000 -3.507) 3.507 9.669 ( 0.000 0.000 2.757) 2.757 12.308 ( 0.000 0.000 3.781) 3.781 12.308 ( 0.000 0.000 3.781) 3.781 12.353 ( -0.000 -0.000 2.261) 2.261 13.510 ( 0.000 0.000 0.264) 0.264 13.594 ( -0.000 -0.000 -2.762) 2.762 13.594 ( 0.000 0.000 -2.762) 2.762 17.203 ( 0.000 0.000 -5.559) 5.559 17.873 ( 0.000 0.000 4.792) 4.792 17.989 ( 0.000 0.000 -0.590) 0.590 21.887 ( 0.000 0.000 -1.535) 1.535 21.941 ( -0.000 -0.000 -4.353) 4.353 21.941 ( 0.000 0.000 -4.353) 4.353 22.334 ( 0.000 0.000 3.608) 3.608 22.360 ( -0.000 -0.000 3.506) 3.506 22.360 ( 0.000 0.000 3.506) 3.506 23.830 ( 0.000 0.000 5.643) 5.643 24.251 ( 0.000 0.000 -11.252) 11.252 24.468 ( 0.000 0.000 0.695) 0.695 24.468 ( 0.000 0.000 0.695) 0.695 24.650 ( 0.000 0.000 -5.473) 5.473 25.166 ( 0.000 0.000 7.603) 7.603 26.752 ( 0.000 0.000 -4.359) 4.359 26.836 ( 0.000 0.000 9.341) 9.341 27.195 ( 0.000 0.000 -4.392) 4.392 27.195 ( 0.000 0.000 -4.392) 4.392 27.203 ( -0.000 -0.000 3.849) 3.849 27.284 ( 0.000 0.000 0.568) 0.568 27.711 ( 0.000 0.000 0.508) 0.508 27.780 ( 0.000 0.000 -1.807) 1.807 29.168 ( 0.000 0.000 0.383) 0.383 29.186 ( 0.000 0.000 -0.404) 0.404 29.186 ( 0.000 0.000 -0.404) 0.404 29.268 ( 0.000 0.000 0.420) 0.420 29.268 ( 0.000 0.000 0.420) 0.420 29.290 ( 0.000 0.000 -0.546) 0.546 30.749 ( 0.000 0.000 -0.088) 0.088 30.756 ( 0.000 0.000 -0.472) 0.472 30.817 ( 0.000 0.000 0.606) 0.606 35.292 ( 0.000 0.000 0.007) 0.007 35.318 ( 0.000 0.000 -1.087) 1.087 35.318 ( 0.000 0.000 -1.087) 1.087 35.981 ( 0.000 0.000 1.169) 1.169 35.981 ( 0.000 0.000 1.169) 1.169 36.023 ( 0.000 0.000 -0.633) 0.633 39.999 ( 0.000 0.000 0.154) 0.154 39.999 ( 0.000 0.000 0.154) 0.154 40.011 ( 0.000 0.000 -0.406) 0.406 41.898 ( 0.000 0.000 0.617) 0.617 50.614 ( 0.000 0.000 -0.006) 0.006 50.796 ( 0.000 0.000 -9.433) 9.433 50.796 ( 0.000 0.000 -9.433) 9.433 51.938 ( 0.000 0.000 0.004) 0.004 51.978 ( 0.000 0.000 15.411) 15.411 51.978 ( 0.000 0.000 15.411) 15.411 52.109 ( 0.000 0.000 -8.513) 8.513 52.337 ( 0.000 0.000 -1.000) 1.000 53.487 ( 0.000 0.000 15.802) 15.802 54.502 ( 0.000 0.000 0.459) 0.459 54.502 ( 0.000 0.000 0.459) 0.459 54.538 ( 0.000 0.000 -0.413) 0.413 54.707 ( 0.000 0.000 -0.037) 0.037 54.830 ( -0.000 -0.000 -4.667) 4.667 54.830 ( 0.000 0.000 -4.667) 4.667 55.479 ( 0.000 0.000 -1.610) 1.610 55.479 ( 0.000 0.000 -1.610) 1.610 55.629 ( -0.000 -0.000 -7.055) 7.055 ======================= Grid point 273 (32/35) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 1.303 1.303 1.303) 2.257 2.143 ( 1.303 1.303 1.303) 2.257 2.324 ( 1.510 1.510 1.510) 2.615 2.324 ( 1.510 1.510 1.510) 2.615 2.375 ( -0.176 -0.176 -0.176) 0.304 2.557 ( 0.410 0.410 0.410) 0.710 2.580 ( -0.442 -0.442 -0.442) 0.766 2.580 ( -0.442 -0.442 -0.442) 0.766 2.952 ( 2.951 2.951 2.951) 5.111 3.037 ( 3.008 3.008 3.008) 5.209 3.037 ( 3.008 3.008 3.008) 5.209 3.129 ( 2.520 2.520 2.520) 4.364 4.180 ( -1.426 -1.426 -1.426) 2.471 4.292 ( -4.464 -4.464 -4.464) 7.732 4.292 ( -4.464 -4.464 -4.464) 7.732 5.741 ( 6.671 6.671 6.671) 11.555 5.741 ( 6.671 6.671 6.671) 11.555 5.763 ( 5.781 5.781 5.781) 10.013 6.040 ( -2.757 -2.757 -2.757) 4.775 6.040 ( -2.757 -2.757 -2.757) 4.775 6.437 ( 0.756 0.756 0.756) 1.309 6.531 ( -1.758 -1.758 -1.758) 3.045 6.531 ( -1.758 -1.758 -1.758) 3.045 7.090 ( -0.246 -0.246 -0.246) 0.426 7.090 ( -0.246 -0.246 -0.246) 0.426 7.180 ( -2.140 -2.140 -2.140) 3.706 7.964 ( -1.686 -1.686 -1.686) 2.919 8.242 ( -0.050 -0.050 -0.050) 0.086 8.242 ( -0.050 -0.050 -0.050) 0.086 8.442 ( 1.187 1.187 1.187) 2.055 8.442 ( 1.187 1.187 1.187) 2.055 8.603 ( -2.246 -2.246 -2.246) 3.890 9.685 ( 1.368 1.368 1.368) 2.369 12.215 ( 6.301 6.301 6.301) 10.913 12.340 ( 3.594 3.594 3.594) 6.224 12.340 ( 3.594 3.594 3.594) 6.224 13.552 ( -2.334 -2.334 -2.334) 4.042 13.552 ( -2.334 -2.334 -2.334) 4.042 13.675 ( -5.128 -5.128 -5.128) 8.882 17.177 ( -3.080 -3.080 -3.080) 5.334 17.941 ( 1.131 1.131 1.131) 1.959 17.941 ( 1.131 1.131 1.131) 1.959 21.808 ( 1.356 1.356 1.356) 2.348 21.942 ( -2.373 -2.373 -2.373) 4.110 21.942 ( -2.373 -2.373 -2.373) 4.110 22.336 ( 2.412 2.412 2.412) 4.178 22.336 ( 2.412 2.412 2.412) 4.178 22.457 ( -0.908 -0.908 -0.908) 1.573 24.014 ( -0.654 -0.654 -0.654) 1.132 24.014 ( -0.654 -0.654 -0.654) 1.132 24.480 ( 0.149 0.149 0.149) 0.259 24.556 ( -1.976 -1.976 -1.976) 3.422 24.556 ( -1.976 -1.976 -1.976) 3.422 25.207 ( 3.646 3.646 3.646) 6.315 26.729 ( -2.200 -2.200 -2.200) 3.810 27.001 ( 2.752 2.752 2.752) 4.767 27.001 ( 2.752 2.752 2.752) 4.767 27.192 ( -3.456 -3.456 -3.456) 5.986 27.262 ( 0.923 0.923 0.923) 1.599 27.262 ( 0.923 0.923 0.923) 1.599 27.754 ( -1.093 -1.093 -1.093) 1.893 27.754 ( -1.093 -1.093 -1.093) 1.893 29.170 ( 0.201 0.201 0.201) 0.349 29.183 ( -0.196 -0.196 -0.196) 0.339 29.183 ( -0.196 -0.196 -0.196) 0.339 29.274 ( 0.124 0.124 0.124) 0.215 29.274 ( 0.124 0.124 0.124) 0.215 29.278 ( -0.029 -0.029 -0.029) 0.050 30.752 ( -0.165 -0.165 -0.165) 0.285 30.752 ( -0.165 -0.165 -0.165) 0.285 30.821 ( 0.252 0.252 0.252) 0.436 35.299 ( -0.207 -0.207 -0.207) 0.358 35.309 ( -0.502 -0.502 -0.502) 0.870 35.309 ( -0.502 -0.502 -0.502) 0.870 35.992 ( 0.468 0.468 0.468) 0.811 35.992 ( 0.468 0.468 0.468) 0.811 36.009 ( -0.019 -0.019 -0.019) 0.033 39.989 ( 0.430 0.430 0.430) 0.744 39.989 ( 0.430 0.430 0.430) 0.744 40.029 ( -0.923 -0.923 -0.923) 1.599 41.900 ( 0.382 0.382 0.382) 0.662 50.676 ( -2.143 -2.143 -2.143) 3.711 50.714 ( -3.340 -3.340 -3.340) 5.785 50.714 ( -3.340 -3.340 -3.340) 5.785 52.002 ( -2.115 -2.115 -2.115) 3.663 52.002 ( -2.115 -2.115 -2.115) 3.663 52.101 ( 6.457 6.457 6.457) 11.184 52.101 ( 6.457 6.457 6.457) 11.184 52.248 ( 2.213 2.213 2.213) 3.833 53.597 ( 7.011 7.011 7.011) 12.143 54.444 ( 2.485 2.485 2.485) 4.304 54.444 ( 2.485 2.485 2.485) 4.304 54.619 ( -2.950 -2.950 -2.950) 5.110 54.626 ( 2.695 2.695 2.695) 4.669 54.859 ( -4.679 -4.679 -4.679) 8.105 54.859 ( -4.679 -4.679 -4.679) 8.105 55.397 ( 1.518 1.518 1.518) 2.629 55.397 ( 1.518 1.518 1.518) 2.629 55.726 ( -8.113 -8.113 -8.113) 14.052 ======================= Grid point 274 (33/35) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.000 0.953 0.953) 1.348 2.167 ( 0.000 0.117 0.117) 0.166 2.336 ( 0.000 2.134 2.134) 3.018 2.343 ( 0.000 0.675 0.675) 0.955 2.376 ( -0.000 -0.404 -0.404) 0.571 2.559 ( 0.000 0.642 0.642) 0.909 2.568 ( 0.000 0.338 0.338) 0.478 2.583 ( -0.000 -0.720 -0.720) 1.018 2.985 ( 0.000 3.822 3.822) 5.405 3.049 ( 0.000 4.198 4.198) 5.937 3.078 ( 0.000 2.853 2.853) 4.034 3.159 ( 0.000 1.201 1.201) 1.698 4.166 ( 0.000 -1.840 -1.840) 2.603 4.244 ( 0.000 -5.248 -5.248) 7.421 4.249 ( -0.000 -5.188 -5.188) 7.336 5.738 ( 0.000 9.892 9.892) 13.989 5.851 ( 0.000 4.354 4.354) 6.157 5.857 ( 0.000 4.379 4.379) 6.193 5.983 ( 0.000 -1.164 -1.164) 1.646 6.039 ( -0.000 -3.338 -3.338) 4.721 6.458 ( 0.000 0.033 0.033) 0.046 6.495 ( -0.000 -1.605 -1.605) 2.270 6.517 ( 0.000 -2.159 -2.159) 3.053 7.026 ( 0.000 2.141 2.141) 3.028 7.081 ( 0.000 0.575 0.575) 0.813 7.232 ( 0.000 -8.188 -8.188) 11.580 7.908 ( 0.000 3.152 3.152) 4.458 8.247 ( 0.000 -1.913 -1.913) 2.705 8.258 ( 0.000 -1.634 -1.634) 2.310 8.447 ( 0.000 3.422 3.422) 4.839 8.464 ( 0.000 1.873 1.873) 2.649 8.580 ( 0.000 -2.620 -2.620) 3.705 9.699 ( 0.000 1.593 1.593) 2.254 12.283 ( 0.000 7.009 7.009) 9.912 12.352 ( -0.000 2.585 2.585) 3.656 12.404 ( 0.000 0.851 0.851) 1.204 13.498 ( 0.000 0.471 0.471) 0.666 13.554 ( 0.000 -1.353 -1.353) 1.914 13.621 ( 0.000 -5.993 -5.993) 8.475 17.146 ( 0.000 -3.214 -3.214) 4.545 17.937 ( 0.000 1.810 1.810) 2.560 17.966 ( 0.000 0.495 0.495) 0.699 21.832 ( 0.000 0.998 0.998) 1.412 21.896 ( -0.000 -2.257 -2.257) 3.192 21.930 ( 0.000 -3.744 -3.744) 5.295 22.344 ( 0.000 3.948 3.948) 5.583 22.395 ( 0.000 1.835 1.835) 2.595 22.430 ( -0.000 -0.163 -0.163) 0.230 23.956 ( 0.000 1.438 1.438) 2.034 24.063 ( -0.000 -2.721 -2.721) 3.848 24.475 ( 0.000 0.438 0.438) 0.619 24.518 ( -0.000 -1.765 -1.765) 2.496 24.557 ( 0.000 -2.919 -2.919) 4.129 25.242 ( 0.000 3.799 3.799) 5.372 26.707 ( 0.000 -2.349 -2.349) 3.322 26.982 ( 0.000 4.767 4.767) 6.742 27.078 ( 0.000 1.303 1.303) 1.842 27.160 ( -0.000 -3.938 -3.938) 5.569 27.260 ( 0.000 1.105 1.105) 1.563 27.279 ( 0.000 0.557 0.557) 0.788 27.734 ( 0.000 -0.717 -0.717) 1.014 27.751 ( 0.000 -1.213 -1.213) 1.715 29.172 ( 0.000 0.240 0.240) 0.339 29.182 ( 0.000 -0.206 -0.206) 0.292 29.182 ( -0.000 -0.225 -0.225) 0.318 29.272 ( 0.000 0.214 0.214) 0.303 29.277 ( 0.000 0.036 0.036) 0.051 29.279 ( 0.000 -0.103 -0.103) 0.146 30.749 ( 0.000 -0.130 -0.130) 0.183 30.751 ( 0.000 -0.193 -0.193) 0.274 30.824 ( 0.000 0.298 0.298) 0.421 35.296 ( 0.000 -0.170 -0.170) 0.241 35.303 ( 0.000 -0.508 -0.508) 0.719 35.306 ( 0.000 -0.642 -0.642) 0.908 35.993 ( 0.000 0.686 0.686) 0.971 35.999 ( 0.000 0.444 0.444) 0.628 36.011 ( 0.000 -0.118 -0.118) 0.167 39.990 ( 0.000 0.573 0.573) 0.810 39.999 ( 0.000 0.189 0.189) 0.267 40.018 ( -0.000 -0.813 -0.813) 1.149 41.904 ( 0.000 0.393 0.393) 0.555 50.646 ( 0.000 -1.691 -1.691) 2.392 50.672 ( 0.000 -3.035 -3.035) 4.293 50.702 ( 0.000 -4.444 -4.444) 6.284 51.961 ( 0.000 -1.201 -1.201) 1.698 52.002 ( 0.000 -3.169 -3.169) 4.482 52.141 ( 0.000 8.111 8.111) 11.471 52.178 ( 0.000 6.522 6.522) 9.224 52.281 ( 0.000 1.794 1.794) 2.537 53.664 ( 0.000 8.896 8.896) 12.582 54.455 ( 0.000 3.076 3.076) 4.351 54.509 ( 0.000 0.027 0.027) 0.038 54.564 ( 0.000 -1.872 -1.872) 2.647 54.673 ( 0.000 1.355 1.355) 1.917 54.778 ( -0.000 -3.318 -3.318) 4.692 54.825 ( 0.000 -5.804 -5.804) 8.208 55.386 ( 0.000 2.970 2.970) 4.201 55.463 ( 0.000 -0.951 -0.951) 1.344 55.620 ( -0.000 -7.901 -7.901) 11.174 ======================= Grid point 287 (34/35) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 0.000 0.000 0.963) 0.963 2.174 ( 0.000 0.000 -0.642) 0.642 2.350 ( 0.000 0.000 1.180) 1.180 2.350 ( 0.000 0.000 1.180) 1.180 2.378 ( -0.000 -0.000 -1.299) 1.299 2.561 ( 0.000 0.000 1.317) 1.317 2.575 ( -0.000 -0.000 -0.099) 0.099 2.575 ( 0.000 0.000 -0.099) 0.099 3.032 ( 0.000 0.000 4.456) 4.456 3.094 ( 0.000 0.000 4.532) 4.532 3.094 ( 0.000 0.000 4.532) 4.532 3.174 ( 0.000 0.000 -0.804) 0.804 4.142 ( 0.000 0.000 -1.091) 1.091 4.196 ( -0.000 -0.000 -6.517) 6.517 4.196 ( 0.000 0.000 -6.517) 6.517 5.847 ( 0.000 0.000 9.803) 9.803 5.847 ( 0.000 0.000 9.803) 9.803 5.939 ( 0.000 0.000 -0.879) 0.879 5.946 ( 0.000 0.000 1.394) 1.394 6.038 ( 0.000 0.000 -6.021) 6.021 6.474 ( 0.000 0.000 -1.122) 1.122 6.479 ( -0.000 -0.000 -1.699) 1.699 6.479 ( 0.000 0.000 -1.699) 1.699 6.998 ( 0.000 0.000 6.304) 6.304 7.145 ( 0.000 0.000 -6.885) 6.885 7.145 ( 0.000 0.000 -6.885) 6.885 7.910 ( 0.000 0.000 6.051) 6.051 8.215 ( 0.000 0.000 0.457) 0.457 8.269 ( 0.000 0.000 -6.107) 6.107 8.484 ( 0.000 0.000 3.874) 3.874 8.484 ( 0.000 0.000 3.874) 3.874 8.550 ( 0.000 0.000 -2.661) 2.661 9.715 ( 0.000 0.000 1.809) 1.809 12.378 ( 0.000 0.000 2.992) 2.992 12.378 ( 0.000 0.000 2.992) 2.992 12.392 ( -0.000 -0.000 1.633) 1.633 13.516 ( 0.000 0.000 0.271) 0.271 13.543 ( -0.000 -0.000 -2.248) 2.248 13.543 ( 0.000 0.000 -2.248) 2.248 17.114 ( 0.000 0.000 -3.332) 3.332 17.947 ( 0.000 0.000 2.770) 2.770 17.979 ( 0.000 0.000 -0.426) 0.426 21.861 ( 0.000 0.000 -1.072) 1.072 21.874 ( -0.000 -0.000 -2.471) 2.471 21.874 ( 0.000 0.000 -2.471) 2.471 22.400 ( 0.000 0.000 2.895) 2.895 22.412 ( -0.000 -0.000 1.875) 1.875 22.412 ( 0.000 0.000 1.875) 1.875 23.941 ( 0.000 0.000 5.277) 5.277 24.071 ( 0.000 0.000 -6.996) 6.996 24.480 ( 0.000 0.000 0.484) 0.484 24.480 ( 0.000 0.000 0.484) 0.484 24.542 ( 0.000 0.000 -5.155) 5.155 25.279 ( -0.000 -0.000 3.982) 3.982 26.684 ( 0.000 0.000 -2.504) 2.504 27.007 ( 0.000 0.000 7.566) 7.566 27.120 ( 0.000 0.000 -3.014) 3.014 27.120 ( 0.000 0.000 -3.014) 3.014 27.262 ( 0.000 0.000 2.134) 2.134 27.289 ( 0.000 0.000 -0.199) 0.199 27.720 ( 0.000 0.000 0.345) 0.345 27.743 ( 0.000 0.000 -1.799) 1.799 29.175 ( 0.000 0.000 0.270) 0.270 29.179 ( -0.000 -0.000 -0.224) 0.224 29.179 ( 0.000 0.000 -0.224) 0.224 29.274 ( 0.000 0.000 0.225) 0.225 29.274 ( 0.000 0.000 0.225) 0.225 29.280 ( 0.000 0.000 -0.399) 0.399 30.748 ( 0.000 0.000 -0.062) 0.062 30.749 ( 0.000 0.000 -0.247) 0.247 30.827 ( 0.000 0.000 0.346) 0.346 35.293 ( 0.000 0.000 0.005) 0.005 35.300 ( -0.000 -0.000 -0.717) 0.717 35.300 ( 0.000 0.000 -0.717) 0.717 36.000 ( 0.000 0.000 0.773) 0.773 36.000 ( 0.000 0.000 0.773) 0.773 36.012 ( 0.000 0.000 -0.447) 0.447 40.001 ( 0.000 0.000 0.099) 0.099 40.001 ( 0.000 0.000 0.099) 0.099 40.004 ( -0.000 -0.000 -0.238) 0.238 41.908 ( 0.000 0.000 0.407) 0.407 50.613 ( 0.000 0.000 -0.004) 0.004 50.659 ( 0.000 0.000 -4.756) 4.756 50.659 ( 0.000 0.000 -4.756) 4.756 51.938 ( 0.000 0.000 0.003) 0.003 51.982 ( 0.000 0.000 -4.506) 4.506 52.221 ( 0.000 0.000 9.249) 9.249 52.221 ( 0.000 0.000 9.249) 9.249 52.320 ( 0.000 0.000 -0.690) 0.690 53.752 ( 0.000 0.000 10.851) 10.851 54.509 ( 0.000 0.000 0.230) 0.230 54.509 ( 0.000 0.000 0.230) 0.230 54.524 ( -0.000 -0.000 -1.018) 1.018 54.706 ( 0.000 0.000 -0.026) 0.026 54.744 ( -0.000 -0.000 -3.719) 3.719 54.744 ( 0.000 0.000 -3.719) 3.719 55.454 ( 0.000 0.000 -0.895) 0.895 55.454 ( 0.000 0.000 -0.895) 0.895 55.502 ( -0.000 -0.000 -5.455) 5.455 ======================= Grid point 412 (35/35) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 8.24e-05 8.24e-05 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 19 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 0.000) 0.000 7.950 ( 0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.522 ( 0.000 0.000 0.000) 0.000 8.522 ( 0.000 0.000 0.000) 0.000 8.522 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 12.409 ( 0.000 0.000 0.000) 0.000 12.409 ( 0.000 0.000 0.000) 0.000 12.409 ( 0.000 0.000 0.000) 0.000 13.519 ( 0.000 0.000 0.000) 0.000 13.519 ( 0.000 0.000 0.000) 0.000 13.519 ( 0.000 0.000 0.000) 0.000 17.081 ( 0.000 0.000 0.000) 0.000 17.974 ( 0.000 0.000 0.000) 0.000 17.974 ( 0.000 0.000 0.000) 0.000 21.850 ( 0.000 0.000 0.000) 0.000 21.850 ( 0.000 0.000 0.000) 0.000 21.850 ( 0.000 0.000 0.000) 0.000 22.431 ( 0.000 0.000 0.000) 0.000 22.431 ( 0.000 0.000 0.000) 0.000 22.431 ( 0.000 0.000 0.000) 0.000 24.000 ( 0.000 0.000 0.000) 0.000 24.000 ( 0.000 0.000 0.000) 0.000 24.485 ( 0.000 0.000 0.000) 0.000 24.485 ( 0.000 0.000 0.000) 0.000 24.485 ( 0.000 0.000 0.000) 0.000 25.317 ( 0.000 0.000 0.000) 0.000 26.659 ( 0.000 0.000 0.000) 0.000 27.089 ( 0.000 0.000 0.000) 0.000 27.089 ( 0.000 0.000 0.000) 0.000 27.089 ( 0.000 0.000 0.000) 0.000 27.283 ( 0.000 0.000 0.000) 0.000 27.283 ( 0.000 0.000 0.000) 0.000 27.724 ( 0.000 0.000 0.000) 0.000 27.724 ( 0.000 0.000 0.000) 0.000 29.177 ( 0.000 0.000 0.000) 0.000 29.177 ( 0.000 0.000 0.000) 0.000 29.177 ( 0.000 0.000 0.000) 0.000 29.276 ( 0.000 0.000 0.000) 0.000 29.276 ( 0.000 0.000 0.000) 0.000 29.276 ( 0.000 0.000 0.000) 0.000 30.747 ( 0.000 0.000 0.000) 0.000 30.747 ( 0.000 0.000 0.000) 0.000 30.830 ( 0.000 0.000 0.000) 0.000 35.293 ( 0.000 0.000 0.000) 0.000 35.293 ( 0.000 0.000 0.000) 0.000 35.293 ( 0.000 0.000 0.000) 0.000 36.008 ( 0.000 0.000 0.000) 0.000 36.008 ( 0.000 0.000 0.000) 0.000 36.008 ( 0.000 0.000 0.000) 0.000 40.002 ( 0.000 0.000 0.000) 0.000 40.002 ( 0.000 0.000 0.000) 0.000 40.002 ( 0.000 0.000 0.000) 0.000 41.912 ( 0.000 0.000 0.000) 0.000 50.613 ( 0.000 0.000 0.000) 0.000 50.613 ( 0.000 0.000 0.000) 0.000 50.613 ( 0.000 0.000 0.000) 0.000 51.938 ( 0.000 0.000 0.000) 0.000 51.938 ( 0.000 0.000 0.000) 0.000 52.313 ( 0.000 0.000 0.000) 0.000 52.313 ( 0.000 0.000 0.000) 0.000 52.313 ( 0.000 0.000 0.000) 0.000 53.865 ( 0.000 0.000 0.000) 0.000 54.510 ( 0.000 0.000 0.000) 0.000 54.510 ( 0.000 0.000 0.000) 0.000 54.510 ( 0.000 0.000 0.000) 0.000 54.706 ( 0.000 0.000 0.000) 0.000 54.706 ( 0.000 0.000 0.000) 0.000 54.706 ( 0.000 0.000 0.000) 0.000 55.445 ( 0.000 0.000 0.000) 0.000 55.445 ( 0.000 0.000 0.000) 0.000 55.445 ( 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 3/50688 10.0 2169.411 2169.411 2169.411 -0.000 -0.000 0.000 3/50688 20.0 445.990 445.990 445.990 -0.000 -0.000 0.000 3/50688 30.0 178.554 178.554 178.554 -0.000 -0.000 0.000 3/50688 40.0 88.741 88.741 88.741 -0.000 -0.000 0.000 3/50688 50.0 52.179 52.179 52.179 -0.000 -0.000 0.000 3/50688 60.0 34.767 34.767 34.767 -0.000 -0.000 0.000 3/50688 70.0 25.315 25.315 25.315 -0.000 -0.000 0.000 3/50688 80.0 19.623 19.623 19.623 -0.000 -0.000 0.000 3/50688 90.0 15.907 15.907 15.907 -0.000 -0.000 0.000 3/50688 100.0 13.326 13.326 13.326 -0.000 -0.000 0.000 3/50688 110.0 11.443 11.443 11.443 -0.000 -0.000 0.000 3/50688 120.0 10.015 10.015 10.015 -0.000 -0.000 0.000 3/50688 130.0 8.899 8.899 8.899 -0.000 -0.000 0.000 3/50688 140.0 8.004 8.004 8.004 -0.000 -0.000 0.000 3/50688 150.0 7.270 7.270 7.270 -0.000 -0.000 0.000 3/50688 160.0 6.658 6.658 6.658 -0.000 -0.000 0.000 3/50688 170.0 6.140 6.140 6.140 -0.000 -0.000 0.000 3/50688 180.0 5.696 5.696 5.696 -0.000 -0.000 0.000 3/50688 190.0 5.311 5.311 5.311 -0.000 -0.000 0.000 3/50688 200.0 4.973 4.973 4.973 -0.000 -0.000 0.000 3/50688 210.0 4.675 4.675 4.675 -0.000 -0.000 0.000 3/50688 220.0 4.411 4.411 4.411 -0.000 -0.000 0.000 3/50688 230.0 4.174 4.174 4.174 -0.000 -0.000 0.000 3/50688 240.0 3.960 3.960 3.960 -0.000 -0.000 0.000 3/50688 250.0 3.768 3.768 3.768 -0.000 -0.000 0.000 3/50688 260.0 3.593 3.593 3.593 -0.000 -0.000 0.000 3/50688 270.0 3.433 3.433 3.433 -0.000 -0.000 0.000 3/50688 280.0 3.286 3.286 3.286 -0.000 -0.000 0.000 3/50688 290.0 3.152 3.152 3.152 -0.000 -0.000 0.000 3/50688 300.0 3.028 3.028 3.028 -0.000 -0.000 0.000 3/50688 310.0 2.914 2.914 2.914 -0.000 -0.000 0.000 3/50688 320.0 2.807 2.807 2.807 -0.000 -0.000 0.000 3/50688 330.0 2.709 2.709 2.709 -0.000 -0.000 0.000 3/50688 340.0 2.617 2.617 2.617 -0.000 -0.000 0.000 3/50688 350.0 2.531 2.531 2.531 -0.000 -0.000 0.000 3/50688 360.0 2.451 2.451 2.451 -0.000 -0.000 0.000 3/50688 370.0 2.376 2.376 2.376 -0.000 -0.000 0.000 3/50688 380.0 2.305 2.305 2.305 -0.000 -0.000 0.000 3/50688 390.0 2.239 2.239 2.239 -0.000 -0.000 0.000 3/50688 400.0 2.176 2.176 2.176 -0.000 -0.000 0.000 3/50688 410.0 2.117 2.117 2.117 -0.000 -0.000 0.000 3/50688 420.0 2.061 2.061 2.061 -0.000 -0.000 0.000 3/50688 430.0 2.008 2.008 2.008 -0.000 -0.000 0.000 3/50688 440.0 1.958 1.958 1.958 -0.000 -0.000 0.000 3/50688 450.0 1.911 1.911 1.911 -0.000 -0.000 0.000 3/50688 460.0 1.865 1.865 1.865 -0.000 -0.000 0.000 3/50688 470.0 1.822 1.822 1.822 -0.000 -0.000 0.000 3/50688 480.0 1.781 1.781 1.781 -0.000 -0.000 0.000 3/50688 490.0 1.742 1.742 1.742 -0.000 -0.000 0.000 3/50688 500.0 1.705 1.705 1.705 -0.000 -0.000 0.000 3/50688 510.0 1.669 1.669 1.669 -0.000 -0.000 0.000 3/50688 520.0 1.635 1.635 1.635 -0.000 -0.000 0.000 3/50688 530.0 1.602 1.602 1.602 -0.000 -0.000 0.000 3/50688 540.0 1.571 1.571 1.571 -0.000 -0.000 0.000 3/50688 550.0 1.541 1.541 1.541 -0.000 -0.000 0.000 3/50688 560.0 1.512 1.512 1.512 -0.000 -0.000 0.000 3/50688 570.0 1.484 1.484 1.484 -0.000 -0.000 0.000 3/50688 580.0 1.457 1.457 1.457 -0.000 -0.000 0.000 3/50688 590.0 1.431 1.431 1.431 -0.000 -0.000 0.000 3/50688 600.0 1.407 1.407 1.407 -0.000 -0.000 0.000 3/50688 610.0 1.383 1.383 1.383 -0.000 -0.000 0.000 3/50688 620.0 1.360 1.360 1.360 -0.000 -0.000 0.000 3/50688 630.0 1.337 1.337 1.337 -0.000 -0.000 0.000 3/50688 640.0 1.316 1.316 1.316 -0.000 -0.000 0.000 3/50688 650.0 1.295 1.295 1.295 -0.000 -0.000 0.000 3/50688 660.0 1.275 1.275 1.275 -0.000 -0.000 0.000 3/50688 670.0 1.256 1.256 1.256 -0.000 -0.000 0.000 3/50688 680.0 1.237 1.237 1.237 -0.000 -0.000 0.000 3/50688 690.0 1.219 1.219 1.219 -0.000 -0.000 0.000 3/50688 700.0 1.201 1.201 1.201 -0.000 -0.000 0.000 3/50688 710.0 1.184 1.184 1.184 -0.000 -0.000 0.000 3/50688 720.0 1.167 1.167 1.167 -0.000 -0.000 0.000 3/50688 730.0 1.151 1.151 1.151 -0.000 -0.000 0.000 3/50688 740.0 1.135 1.135 1.135 -0.000 -0.000 0.000 3/50688 750.0 1.120 1.120 1.120 -0.000 -0.000 0.000 3/50688 760.0 1.105 1.105 1.105 -0.000 -0.000 0.000 3/50688 770.0 1.091 1.091 1.091 -0.000 -0.000 0.000 3/50688 780.0 1.077 1.077 1.077 -0.000 -0.000 0.000 3/50688 790.0 1.063 1.063 1.063 -0.000 -0.000 0.000 3/50688 800.0 1.050 1.050 1.050 -0.000 -0.000 0.000 3/50688 810.0 1.037 1.037 1.037 -0.000 -0.000 0.000 3/50688 820.0 1.024 1.024 1.024 -0.000 -0.000 0.000 3/50688 830.0 1.012 1.012 1.012 -0.000 -0.000 0.000 3/50688 840.0 1.000 1.000 1.000 -0.000 -0.000 0.000 3/50688 850.0 0.988 0.988 0.988 -0.000 -0.000 0.000 3/50688 860.0 0.976 0.976 0.976 -0.000 -0.000 0.000 3/50688 870.0 0.965 0.965 0.965 -0.000 -0.000 0.000 3/50688 880.0 0.954 0.954 0.954 -0.000 -0.000 0.000 3/50688 890.0 0.944 0.944 0.944 -0.000 -0.000 0.000 3/50688 900.0 0.933 0.933 0.933 -0.000 -0.000 0.000 3/50688 910.0 0.923 0.923 0.923 -0.000 -0.000 0.000 3/50688 920.0 0.913 0.913 0.913 -0.000 -0.000 0.000 3/50688 930.0 0.903 0.903 0.903 -0.000 -0.000 0.000 3/50688 940.0 0.894 0.894 0.894 -0.000 -0.000 0.000 3/50688 950.0 0.885 0.885 0.885 -0.000 -0.000 0.000 3/50688 960.0 0.876 0.876 0.876 -0.000 -0.000 0.000 3/50688 970.0 0.867 0.867 0.867 -0.000 -0.000 0.000 3/50688 980.0 0.858 0.858 0.858 -0.000 -0.000 0.000 3/50688 990.0 0.849 0.849 0.849 -0.000 -0.000 0.000 3/50688 1000.0 0.841 0.841 0.841 -0.000 -0.000 0.000 3/50688 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:11:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|