----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:18:04]------------------------- 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 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.371203824999999 3.371203824999999 2.951874255000000 b 3.371203824999999 -3.371203824999999 2.951874255000000 c 3.371203824999999 3.371203824999999 -2.951874255000000 Atomic positions (fractional): *1 O 0.58506580092844 0.90684552257387 0.32177972164543 15.999 2 O 0.65684552257387 0.83506580092844 0.82177972164543 15.999 3 O 0.01328607928301 0.83506580092844 0.17822027835457 15.999 4 O 0.58506580092844 0.26328607928301 0.67822027835457 15.999 5 O 0.09315447742613 0.41493419907156 0.67822027835457 15.999 6 O 0.16493419907156 0.34315447742613 0.17822027835457 15.999 7 O 0.16493419907156 0.98671392071699 0.82177972164543 15.999 8 O 0.73671392071699 0.41493419907156 0.32177972164543 15.999 *9 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 10 P 0.75000000000000 0.25000000000000 0.50000000000000 30.974 *11 Lu 0.25000000000000 0.75000000000000 0.50000000000000 174.967 12 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.742407649999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.742407649999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.903748510000000 Atomic positions (fractional): *1 O 0.32177972164543 0.00000000000000 0.58506580092844 15.999 > 1 2 O 0.00000000000000 0.82177972164543 0.83506580092844 15.999 > 2 3 O 0.00000000000000 0.17822027835457 0.83506580092844 15.999 > 3 4 O 0.17822027835457 0.50000000000000 0.08506580092844 15.999 > 4 5 O 0.50000000000000 0.17822027835457 0.91493419907156 15.999 > 5 6 O 0.67822027835457 0.50000000000000 0.66493419907156 15.999 > 6 7 O 0.32177972164543 0.50000000000000 0.66493419907156 15.999 > 7 8 O 0.00000000000000 0.32177972164543 0.41493419907156 15.999 > 8 9 O 0.82177972164543 0.50000000000000 0.08506580092844 15.999 > 1 10 O 0.50000000000000 0.32177972164543 0.33506580092844 15.999 > 2 11 O 0.50000000000000 0.67822027835457 0.33506580092844 15.999 > 3 12 O 0.67822027835457 0.00000000000000 0.58506580092844 15.999 > 4 13 O 0.00000000000000 0.67822027835457 0.41493419907156 15.999 > 5 14 O 0.17822027835457 0.00000000000000 0.16493419907156 15.999 > 6 15 O 0.82177972164543 0.00000000000000 0.16493419907156 15.999 > 7 16 O 0.50000000000000 0.82177972164543 0.91493419907156 15.999 > 8 *17 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 > 9 18 P 0.50000000000000 0.00000000000000 0.75000000000000 30.974 > 10 19 P 0.50000000000000 0.50000000000000 0.50000000000000 30.974 > 9 20 P 0.00000000000000 0.50000000000000 0.25000000000000 30.974 > 10 *21 Lu 0.00000000000000 0.50000000000000 0.75000000000000 174.967 > 11 22 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 12 23 Lu 0.50000000000000 0.00000000000000 0.25000000000000 174.967 > 11 24 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.742407649999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.742407649999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.807497020000000 Atomic positions (fractional): *1 O 0.32177972164543 0.00000000000000 0.29253290046422 15.999 > 1 2 O 0.32177972164543 0.00000000000000 0.79253290046422 15.999 > 1 3 O 0.00000000000000 0.82177972164543 0.41753290046422 15.999 > 2 4 O 0.00000000000000 0.82177972164543 0.91753290046422 15.999 > 2 5 O 0.00000000000000 0.17822027835457 0.41753290046422 15.999 > 3 6 O 0.00000000000000 0.17822027835457 0.91753290046422 15.999 > 3 7 O 0.17822027835457 0.50000000000000 0.04253290046422 15.999 > 4 8 O 0.17822027835457 0.50000000000000 0.54253290046422 15.999 > 4 9 O 0.50000000000000 0.17822027835457 0.45746709953578 15.999 > 5 10 O 0.50000000000000 0.17822027835457 0.95746709953578 15.999 > 5 11 O 0.67822027835457 0.50000000000000 0.33246709953578 15.999 > 6 12 O 0.67822027835457 0.50000000000000 0.83246709953578 15.999 > 6 13 O 0.32177972164543 0.50000000000000 0.33246709953578 15.999 > 7 14 O 0.32177972164543 0.50000000000000 0.83246709953578 15.999 > 7 15 O 0.00000000000000 0.32177972164543 0.20746709953578 15.999 > 8 16 O 0.00000000000000 0.32177972164543 0.70746709953578 15.999 > 8 17 O 0.82177972164543 0.50000000000000 0.04253290046422 15.999 > 1 18 O 0.82177972164543 0.50000000000000 0.54253290046422 15.999 > 1 19 O 0.50000000000000 0.32177972164543 0.16753290046422 15.999 > 2 20 O 0.50000000000000 0.32177972164543 0.66753290046422 15.999 > 2 21 O 0.50000000000000 0.67822027835457 0.16753290046422 15.999 > 3 22 O 0.50000000000000 0.67822027835457 0.66753290046422 15.999 > 3 23 O 0.67822027835457 0.00000000000000 0.29253290046422 15.999 > 4 24 O 0.67822027835457 0.00000000000000 0.79253290046422 15.999 > 4 25 O 0.00000000000000 0.67822027835457 0.20746709953578 15.999 > 5 26 O 0.00000000000000 0.67822027835457 0.70746709953578 15.999 > 5 27 O 0.17822027835457 0.00000000000000 0.08246709953578 15.999 > 6 28 O 0.17822027835457 0.00000000000000 0.58246709953578 15.999 > 6 29 O 0.82177972164543 0.00000000000000 0.08246709953578 15.999 > 7 30 O 0.82177972164543 0.00000000000000 0.58246709953578 15.999 > 7 31 O 0.50000000000000 0.82177972164543 0.45746709953578 15.999 > 8 32 O 0.50000000000000 0.82177972164543 0.95746709953578 15.999 > 8 *33 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 > 9 34 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 > 9 35 P 0.50000000000000 0.00000000000000 0.37500000000000 30.974 > 10 36 P 0.50000000000000 0.00000000000000 0.87500000000000 30.974 > 10 37 P 0.50000000000000 0.50000000000000 0.25000000000000 30.974 > 9 38 P 0.50000000000000 0.50000000000000 0.75000000000000 30.974 > 9 39 P 0.00000000000000 0.50000000000000 0.12500000000000 30.974 > 10 40 P 0.00000000000000 0.50000000000000 0.62500000000000 30.974 > 10 *41 Lu 0.00000000000000 0.50000000000000 0.37500000000000 174.967 > 11 42 Lu 0.00000000000000 0.50000000000000 0.87500000000000 174.967 > 11 43 Lu 0.00000000000000 0.00000000000000 0.25000000000000 174.967 > 12 44 Lu 0.00000000000000 0.00000000000000 0.75000000000000 174.967 > 12 45 Lu 0.50000000000000 0.00000000000000 0.12500000000000 174.967 > 11 46 Lu 0.50000000000000 0.00000000000000 0.62500000000000 174.967 > 11 47 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 12 48 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2009322 0.0000000 0.0000000 0.0000000 3.2009322 0.0000000 0.0000000 0.0000000 3.5678760 -------------------------- Born effective charges -------------------------- 1 O -2.5347760 0.0000000 -0.5251154 0.0000000 -1.0335085 0.0000000 -0.4519416 0.0000000 -2.0992922 2 O -1.0335085 0.0000000 0.0000000 0.0000000 -2.5347760 -0.5251154 0.0000000 -0.4519416 -2.0992922 3 O -1.0335085 0.0000000 0.0000000 0.0000000 -2.5347760 0.5251154 0.0000000 0.4519416 -2.0992922 4 O -2.5347760 0.0000000 0.5251154 0.0000000 -1.0335085 0.0000000 0.4519416 0.0000000 -2.0992922 5 O -1.0335085 0.0000000 0.0000000 0.0000000 -2.5347760 -0.5251154 0.0000000 -0.4519416 -2.0992922 6 O -2.5347760 0.0000000 -0.5251154 0.0000000 -1.0335085 0.0000000 -0.4519416 0.0000000 -2.0992922 7 O -2.5347760 0.0000000 0.5251154 0.0000000 -1.0335085 0.0000000 0.4519416 0.0000000 -2.0992922 8 O -1.0335085 0.0000000 0.0000000 0.0000000 -2.5347760 0.5251154 0.0000000 0.4519416 -2.0992922 9 P 3.3397458 0.0000000 0.0000000 0.0000000 3.3397458 0.0000000 0.0000000 0.0000000 4.3046102 10 P 3.3397458 0.0000000 0.0000000 0.0000000 3.3397458 0.0000000 0.0000000 0.0000000 4.3046102 11 Lu 3.7968230 0.0000000 0.0000000 0.0000000 3.7968230 0.0000000 0.0000000 0.0000000 4.0925586 12 Lu 3.7968230 0.0000000 0.0000000 0.0000000 3.7968230 0.0000000 0.0000000 0.0000000 4.0925586 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.055 Solver_block: 160 / 160 - Time: 0.031 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.088 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), 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 2026-01-07 19:18:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:18:08]------------------------- 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 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.371203824999999 3.371203824999999 2.951874255000000 b 3.371203824999999 -3.371203824999999 2.951874255000000 c 3.371203824999999 3.371203824999999 -2.951874255000000 Atomic positions (fractional): 1 O 0.58506580092844 0.90684552257387 0.32177972164543 15.999 2 O 0.65684552257387 0.83506580092844 0.82177972164543 15.999 3 O 0.01328607928301 0.83506580092844 0.17822027835457 15.999 4 O 0.58506580092844 0.26328607928301 0.67822027835457 15.999 5 O 0.09315447742613 0.41493419907156 0.67822027835457 15.999 6 O 0.16493419907156 0.34315447742613 0.17822027835457 15.999 7 O 0.16493419907156 0.98671392071699 0.82177972164543 15.999 8 O 0.73671392071699 0.41493419907156 0.32177972164543 15.999 9 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 10 P 0.75000000000000 0.25000000000000 0.50000000000000 30.974 11 Lu 0.25000000000000 0.75000000000000 0.50000000000000 174.967 12 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.742407649999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.742407649999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.807497020000000 Atomic positions (fractional): 1 O 0.32177972164543 0.00000000000000 0.29253290046422 15.999 > 1 2 O 0.32177972164543 0.00000000000000 0.79253290046422 15.999 > 1 3 O 0.00000000000000 0.82177972164543 0.41753290046422 15.999 > 3 4 O 0.00000000000000 0.82177972164543 0.91753290046422 15.999 > 3 5 O 0.00000000000000 0.17822027835457 0.41753290046422 15.999 > 5 6 O 0.00000000000000 0.17822027835457 0.91753290046422 15.999 > 5 7 O 0.17822027835457 0.50000000000000 0.04253290046422 15.999 > 7 8 O 0.17822027835457 0.50000000000000 0.54253290046422 15.999 > 7 9 O 0.50000000000000 0.17822027835457 0.45746709953578 15.999 > 9 10 O 0.50000000000000 0.17822027835457 0.95746709953578 15.999 > 9 11 O 0.67822027835457 0.50000000000000 0.33246709953578 15.999 > 11 12 O 0.67822027835457 0.50000000000000 0.83246709953578 15.999 > 11 13 O 0.32177972164543 0.50000000000000 0.33246709953578 15.999 > 13 14 O 0.32177972164543 0.50000000000000 0.83246709953578 15.999 > 13 15 O 0.00000000000000 0.32177972164543 0.20746709953578 15.999 > 15 16 O 0.00000000000000 0.32177972164543 0.70746709953578 15.999 > 15 17 O 0.82177972164543 0.50000000000000 0.04253290046422 15.999 > 1 18 O 0.82177972164543 0.50000000000000 0.54253290046422 15.999 > 1 19 O 0.50000000000000 0.32177972164543 0.16753290046422 15.999 > 3 20 O 0.50000000000000 0.32177972164543 0.66753290046422 15.999 > 3 21 O 0.50000000000000 0.67822027835457 0.16753290046422 15.999 > 5 22 O 0.50000000000000 0.67822027835457 0.66753290046422 15.999 > 5 23 O 0.67822027835457 0.00000000000000 0.29253290046422 15.999 > 7 24 O 0.67822027835457 0.00000000000000 0.79253290046422 15.999 > 7 25 O 0.00000000000000 0.67822027835457 0.20746709953578 15.999 > 9 26 O 0.00000000000000 0.67822027835457 0.70746709953578 15.999 > 9 27 O 0.17822027835457 0.00000000000000 0.08246709953578 15.999 > 11 28 O 0.17822027835457 0.00000000000000 0.58246709953578 15.999 > 11 29 O 0.82177972164543 0.00000000000000 0.08246709953578 15.999 > 13 30 O 0.82177972164543 0.00000000000000 0.58246709953578 15.999 > 13 31 O 0.50000000000000 0.82177972164543 0.45746709953578 15.999 > 15 32 O 0.50000000000000 0.82177972164543 0.95746709953578 15.999 > 15 33 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 > 33 34 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 > 33 35 P 0.50000000000000 0.00000000000000 0.37500000000000 30.974 > 35 36 P 0.50000000000000 0.00000000000000 0.87500000000000 30.974 > 35 37 P 0.50000000000000 0.50000000000000 0.25000000000000 30.974 > 33 38 P 0.50000000000000 0.50000000000000 0.75000000000000 30.974 > 33 39 P 0.00000000000000 0.50000000000000 0.12500000000000 30.974 > 35 40 P 0.00000000000000 0.50000000000000 0.62500000000000 30.974 > 35 41 Lu 0.00000000000000 0.50000000000000 0.37500000000000 174.967 > 41 42 Lu 0.00000000000000 0.50000000000000 0.87500000000000 174.967 > 41 43 Lu 0.00000000000000 0.00000000000000 0.25000000000000 174.967 > 43 44 Lu 0.00000000000000 0.00000000000000 0.75000000000000 174.967 > 43 45 Lu 0.50000000000000 0.00000000000000 0.12500000000000 174.967 > 41 46 Lu 0.50000000000000 0.00000000000000 0.62500000000000 174.967 > 41 47 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 43 48 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2009322 0.0000000 0.0000000 0.0000000 3.2009322 0.0000000 0.0000000 0.0000000 3.5678760 -------------------------- Born effective charges -------------------------- 1 O -2.5347760 0.0000000 -0.5251154 0.0000000 -1.0335085 0.0000000 -0.4519416 0.0000000 -2.0992922 2 O -1.0335085 0.0000000 0.0000000 0.0000000 -2.5347760 -0.5251154 0.0000000 -0.4519416 -2.0992922 3 O -1.0335085 0.0000000 0.0000000 0.0000000 -2.5347760 0.5251154 0.0000000 0.4519416 -2.0992922 4 O -2.5347760 0.0000000 0.5251154 0.0000000 -1.0335085 0.0000000 0.4519416 0.0000000 -2.0992922 5 O -1.0335085 0.0000000 0.0000000 0.0000000 -2.5347760 -0.5251154 0.0000000 -0.4519416 -2.0992922 6 O -2.5347760 0.0000000 -0.5251154 0.0000000 -1.0335085 0.0000000 -0.4519416 0.0000000 -2.0992922 7 O -2.5347760 0.0000000 0.5251154 0.0000000 -1.0335085 0.0000000 0.4519416 0.0000000 -2.0992922 8 O -1.0335085 0.0000000 0.0000000 0.0000000 -2.5347760 0.5251154 0.0000000 0.4519416 -2.0992922 9 P 3.3397458 0.0000000 0.0000000 0.0000000 3.3397458 0.0000000 0.0000000 0.0000000 4.3046102 10 P 3.3397458 0.0000000 0.0000000 0.0000000 3.3397458 0.0000000 0.0000000 0.0000000 4.3046102 11 Lu 3.7968230 0.0000000 0.0000000 0.0000000 3.7968230 0.0000000 0.0000000 0.0000000 4.0925586 12 Lu 3.7968230 0.0000000 0.0000000 0.0000000 3.7968230 0.0000000 0.0000000 0.0000000 4.0925586 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000011 (xzx) 0.00000011 (xzx) 0.00000011 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:18:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:18:10]------------------------- 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 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.371203824999999 3.371203824999999 2.951874255000000 b 3.371203824999999 -3.371203824999999 2.951874255000000 c 3.371203824999999 3.371203824999999 -2.951874255000000 Atomic positions (fractional): 1 O 0.58506580092844 0.90684552257387 0.32177972164543 15.999 2 O 0.65684552257387 0.83506580092844 0.82177972164543 15.999 3 O 0.01328607928301 0.83506580092844 0.17822027835457 15.999 4 O 0.58506580092844 0.26328607928301 0.67822027835457 15.999 5 O 0.09315447742613 0.41493419907156 0.67822027835457 15.999 6 O 0.16493419907156 0.34315447742613 0.17822027835457 15.999 7 O 0.16493419907156 0.98671392071699 0.82177972164543 15.999 8 O 0.73671392071699 0.41493419907156 0.32177972164543 15.999 9 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 10 P 0.75000000000000 0.25000000000000 0.50000000000000 30.974 11 Lu 0.25000000000000 0.75000000000000 0.50000000000000 174.967 12 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.742407649999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.742407649999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.807497020000000 Atomic positions (fractional): 1 O 0.32177972164543 0.00000000000000 0.29253290046422 15.999 > 1 2 O 0.32177972164543 0.00000000000000 0.79253290046422 15.999 > 1 3 O 0.00000000000000 0.82177972164543 0.41753290046422 15.999 > 3 4 O 0.00000000000000 0.82177972164543 0.91753290046422 15.999 > 3 5 O 0.00000000000000 0.17822027835457 0.41753290046422 15.999 > 5 6 O 0.00000000000000 0.17822027835457 0.91753290046422 15.999 > 5 7 O 0.17822027835457 0.50000000000000 0.04253290046422 15.999 > 7 8 O 0.17822027835457 0.50000000000000 0.54253290046422 15.999 > 7 9 O 0.50000000000000 0.17822027835457 0.45746709953578 15.999 > 9 10 O 0.50000000000000 0.17822027835457 0.95746709953578 15.999 > 9 11 O 0.67822027835457 0.50000000000000 0.33246709953578 15.999 > 11 12 O 0.67822027835457 0.50000000000000 0.83246709953578 15.999 > 11 13 O 0.32177972164543 0.50000000000000 0.33246709953578 15.999 > 13 14 O 0.32177972164543 0.50000000000000 0.83246709953578 15.999 > 13 15 O 0.00000000000000 0.32177972164543 0.20746709953578 15.999 > 15 16 O 0.00000000000000 0.32177972164543 0.70746709953578 15.999 > 15 17 O 0.82177972164543 0.50000000000000 0.04253290046422 15.999 > 1 18 O 0.82177972164543 0.50000000000000 0.54253290046422 15.999 > 1 19 O 0.50000000000000 0.32177972164543 0.16753290046422 15.999 > 3 20 O 0.50000000000000 0.32177972164543 0.66753290046422 15.999 > 3 21 O 0.50000000000000 0.67822027835457 0.16753290046422 15.999 > 5 22 O 0.50000000000000 0.67822027835457 0.66753290046422 15.999 > 5 23 O 0.67822027835457 0.00000000000000 0.29253290046422 15.999 > 7 24 O 0.67822027835457 0.00000000000000 0.79253290046422 15.999 > 7 25 O 0.00000000000000 0.67822027835457 0.20746709953578 15.999 > 9 26 O 0.00000000000000 0.67822027835457 0.70746709953578 15.999 > 9 27 O 0.17822027835457 0.00000000000000 0.08246709953578 15.999 > 11 28 O 0.17822027835457 0.00000000000000 0.58246709953578 15.999 > 11 29 O 0.82177972164543 0.00000000000000 0.08246709953578 15.999 > 13 30 O 0.82177972164543 0.00000000000000 0.58246709953578 15.999 > 13 31 O 0.50000000000000 0.82177972164543 0.45746709953578 15.999 > 15 32 O 0.50000000000000 0.82177972164543 0.95746709953578 15.999 > 15 33 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 > 33 34 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 > 33 35 P 0.50000000000000 0.00000000000000 0.37500000000000 30.974 > 35 36 P 0.50000000000000 0.00000000000000 0.87500000000000 30.974 > 35 37 P 0.50000000000000 0.50000000000000 0.25000000000000 30.974 > 33 38 P 0.50000000000000 0.50000000000000 0.75000000000000 30.974 > 33 39 P 0.00000000000000 0.50000000000000 0.12500000000000 30.974 > 35 40 P 0.00000000000000 0.50000000000000 0.62500000000000 30.974 > 35 41 Lu 0.00000000000000 0.50000000000000 0.37500000000000 174.967 > 41 42 Lu 0.00000000000000 0.50000000000000 0.87500000000000 174.967 > 41 43 Lu 0.00000000000000 0.00000000000000 0.25000000000000 174.967 > 43 44 Lu 0.00000000000000 0.00000000000000 0.75000000000000 174.967 > 43 45 Lu 0.50000000000000 0.00000000000000 0.12500000000000 174.967 > 41 46 Lu 0.50000000000000 0.00000000000000 0.62500000000000 174.967 > 41 47 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 43 48 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2009322 0.0000000 0.0000000 0.0000000 3.2009322 0.0000000 0.0000000 0.0000000 3.5678760 -------------------------- Born effective charges -------------------------- 1 O -2.5347760 0.0000000 -0.5251154 0.0000000 -1.0335085 0.0000000 -0.4519416 0.0000000 -2.0992922 2 O -1.0335085 0.0000000 0.0000000 0.0000000 -2.5347760 -0.5251154 0.0000000 -0.4519416 -2.0992922 3 O -1.0335085 0.0000000 0.0000000 0.0000000 -2.5347760 0.5251154 0.0000000 0.4519416 -2.0992922 4 O -2.5347760 0.0000000 0.5251154 0.0000000 -1.0335085 0.0000000 0.4519416 0.0000000 -2.0992922 5 O -1.0335085 0.0000000 0.0000000 0.0000000 -2.5347760 -0.5251154 0.0000000 -0.4519416 -2.0992922 6 O -2.5347760 0.0000000 -0.5251154 0.0000000 -1.0335085 0.0000000 -0.4519416 0.0000000 -2.0992922 7 O -2.5347760 0.0000000 0.5251154 0.0000000 -1.0335085 0.0000000 0.4519416 0.0000000 -2.0992922 8 O -1.0335085 0.0000000 0.0000000 0.0000000 -2.5347760 0.5251154 0.0000000 0.4519416 -2.0992922 9 P 3.3397458 0.0000000 0.0000000 0.0000000 3.3397458 0.0000000 0.0000000 0.0000000 4.3046102 10 P 3.3397458 0.0000000 0.0000000 0.0000000 3.3397458 0.0000000 0.0000000 0.0000000 4.3046102 11 Lu 3.7968230 0.0000000 0.0000000 0.0000000 3.7968230 0.0000000 0.0000000 0.0000000 4.0925586 12 Lu 3.7968230 0.0000000 0.0000000 0.0000000 3.7968230 0.0000000 0.0000000 0.0000000 4.0925586 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000011 (xzx) 0.00000011 (xzx) 0.00000011 (xxz) 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 ... Generalized regular grid: [ 1 7 112 ] Grid generation matrix: [ 0 7 7 ] [ 7 0 7 ] [ 8 8 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.81, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 -0.000 0.000) 0.000 3.935 ( -0.000 0.000 -0.000) 0.000 3.935 ( 0.000 0.000 -0.000) 0.000 4.162 ( -0.000 -0.000 -0.000) 0.000 5.532 ( 0.000 0.000 -0.000) 0.000 5.532 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 -0.000) 0.000 6.111 ( 0.000 0.000 -0.000) 0.000 7.150 ( 0.000 0.000 -0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 9.044 ( -0.000 0.000 0.000) 0.000 9.044 ( 0.000 -0.000 0.000) 0.000 9.327 ( -0.000 0.000 -0.000) 0.000 9.497 ( -0.000 -0.000 -0.000) 0.000 10.188 ( -0.000 0.000 0.000) 0.000 10.188 ( -0.000 0.000 -0.000) 0.000 12.160 ( 0.000 0.000 -0.000) 0.000 14.073 ( 0.000 0.000 0.000) 0.000 14.748 ( 0.000 0.000 -0.000) 0.000 14.748 ( -0.000 0.000 -0.000) 0.000 16.372 ( 0.000 -0.000 -0.000) 0.000 16.680 ( 0.000 0.000 -0.000) 0.000 16.680 ( 0.000 0.000 0.000) 0.000 18.399 ( -0.000 0.000 0.000) 0.000 19.124 ( 0.000 0.000 0.000) 0.000 28.907 ( 0.000 0.000 -0.000) 0.000 29.154 ( -0.000 -0.000 0.000) 0.000 29.154 ( 0.000 0.000 -0.000) 0.000 29.390 ( 0.000 0.000 0.000) 0.000 30.134 ( 0.000 0.000 0.000) 0.000 30.134 ( 0.000 0.000 0.000) 0.000 31.358 ( 0.000 0.000 -0.000) 0.000 31.476 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 25.730 25.730 0.000) 36.388 1.347 ( 31.040 31.040 0.000) 43.898 1.462 ( 33.496 33.496 0.000) 47.371 3.777 ( 10.241 10.241 0.000) 14.482 4.057 ( 5.979 5.979 0.000) 8.455 4.080 ( 6.225 6.225 0.000) 8.804 4.091 ( -3.377 -3.377 0.000) 4.776 5.626 ( 4.229 4.229 0.000) 5.980 5.641 ( 4.921 4.921 0.000) 6.959 6.065 ( -2.205 -2.205 0.000) 3.118 7.107 ( -2.102 -2.102 0.000) 2.972 7.821 ( 0.376 0.376 0.000) 0.532 7.888 ( -8.992 -8.992 0.000) 12.717 9.010 ( -1.301 -1.301 0.000) 1.839 9.069 ( 1.245 1.245 0.000) 1.761 9.353 ( -6.468 -6.468 0.000) 9.147 9.501 ( 7.222 7.222 0.000) 10.213 10.123 ( -3.182 -3.182 0.000) 4.499 10.457 ( -5.844 -5.844 0.000) 8.265 12.035 ( -5.797 -5.797 0.000) 8.198 14.219 ( 6.580 6.580 0.000) 9.306 14.797 ( 2.355 2.355 0.000) 3.331 15.399 ( 4.556 4.556 0.000) 6.443 16.203 ( -6.550 -6.550 0.000) 9.264 16.482 ( -8.528 -8.528 0.000) 12.060 16.731 ( 0.893 0.893 0.000) 1.262 18.480 ( 3.190 3.190 0.000) 4.511 19.078 ( -2.067 -2.067 0.000) 2.924 28.873 ( -1.238 -1.238 0.000) 1.750 29.144 ( -0.367 -0.367 0.000) 0.519 29.341 ( -2.236 -2.236 0.000) 3.163 29.981 ( -6.355 -6.355 0.000) 8.988 30.281 ( 6.651 6.651 0.000) 9.406 31.482 ( 4.975 4.975 0.000) 7.036 31.544 ( 2.986 2.986 0.000) 4.224 32.833 ( -6.931 -6.931 0.000) 9.802 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 21.184 21.184 0.000) 29.959 2.588 ( 26.885 26.885 0.000) 38.022 2.793 ( 28.707 28.707 0.000) 40.598 3.874 ( -6.818 -6.818 0.000) 9.643 4.129 ( 4.710 4.710 0.000) 6.661 4.366 ( 5.602 5.602 0.000) 7.922 4.520 ( 14.790 14.790 0.000) 20.916 5.866 ( 7.022 7.022 0.000) 9.931 5.913 ( -5.193 -5.193 0.000) 7.345 5.915 ( 7.649 7.649 0.000) 10.817 6.958 ( -5.129 -5.129 0.000) 7.253 7.402 ( -13.345 -13.345 0.000) 18.872 7.885 ( 3.231 3.231 0.000) 4.570 8.982 ( 0.732 0.732 0.000) 1.036 8.991 ( -10.074 -10.074 0.000) 14.246 9.158 ( 3.063 3.063 0.000) 4.332 9.769 ( 0.639 0.639 0.000) 0.903 9.916 ( -6.380 -6.380 0.000) 9.023 10.245 ( 0.711 0.711 0.000) 1.005 11.684 ( -10.470 -10.470 0.000) 14.807 14.588 ( 10.243 10.243 0.000) 14.486 14.949 ( 4.817 4.817 0.000) 6.813 15.674 ( 8.201 8.201 0.000) 11.598 15.878 ( -8.553 -8.553 0.000) 12.096 16.044 ( -11.259 -11.259 0.000) 15.922 16.686 ( -3.359 -3.359 0.000) 4.750 18.618 ( 3.024 3.024 0.000) 4.277 18.965 ( -3.030 -3.030 0.000) 4.285 28.839 ( 0.005 0.005 0.000) 0.008 29.142 ( 0.546 0.546 0.000) 0.772 29.209 ( -3.855 -3.855 0.000) 5.451 29.674 ( -7.439 -7.439 0.000) 10.520 30.670 ( 11.387 11.387 0.000) 16.104 31.697 ( 3.795 3.795 0.000) 5.366 31.700 ( 4.632 4.632 0.000) 6.551 32.419 ( -12.174 -12.174 0.000) 17.216 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 15.410 15.410 0.000) 21.793 3.411 ( -2.428 -2.428 0.000) 3.434 3.662 ( 10.255 10.255 0.000) 14.503 3.835 ( 19.693 19.693 0.000) 27.850 4.132 ( -5.647 -5.647 0.000) 7.987 4.391 ( -5.935 -5.935 0.000) 8.394 5.131 ( 13.145 13.145 0.000) 18.589 5.609 ( -9.271 -9.271 0.000) 13.111 6.246 ( 11.274 11.274 0.000) 15.944 6.277 ( 9.331 9.331 0.000) 13.196 6.667 ( -8.447 -8.447 0.000) 11.945 6.803 ( -14.318 -14.318 0.000) 20.249 8.128 ( 8.170 8.170 0.000) 11.554 8.541 ( -10.706 -10.706 0.000) 15.141 9.124 ( 6.212 6.212 0.000) 8.786 9.338 ( 5.485 5.485 0.000) 7.756 9.480 ( -9.681 -9.681 0.000) 13.691 9.615 ( -7.307 -7.307 0.000) 10.334 10.618 ( 12.700 12.700 0.000) 17.960 11.177 ( -13.060 -13.060 0.000) 18.470 15.043 ( 10.857 10.857 0.000) 15.355 15.209 ( 7.487 7.487 0.000) 10.588 15.486 ( -9.917 -9.917 0.000) 14.024 15.583 ( -10.090 -10.090 0.000) 14.270 16.063 ( 9.660 9.660 0.000) 13.662 16.445 ( -7.780 -7.780 0.000) 11.003 18.731 ( 2.442 2.442 0.000) 3.453 18.839 ( -2.763 -2.763 0.000) 3.908 28.891 ( 2.457 2.457 0.000) 3.474 29.035 ( -4.057 -4.057 0.000) 5.737 29.210 ( 2.851 2.851 0.000) 4.031 29.391 ( -5.635 -5.635 0.000) 7.970 31.219 ( 14.210 14.210 0.000) 20.096 31.827 ( 1.910 1.910 0.000) 2.701 31.837 ( 1.553 1.553 0.000) 2.196 31.840 ( -14.653 -14.653 0.000) 20.722 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.13 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.000 8.933 29.772) 31.083 1.272 ( 0.000 33.990 25.063) 42.231 2.002 ( 0.000 33.305 56.593) 65.666 3.711 ( 0.000 9.566 4.333) 10.501 3.973 ( 0.000 6.138 -1.030) 6.224 4.000 ( 0.000 7.576 -1.735) 7.772 4.251 ( 0.000 -2.455 10.029) 10.325 5.433 ( -0.000 3.796 -11.020) 11.655 5.496 ( -0.000 6.613 -8.230) 10.558 6.218 ( 0.000 0.526 7.610) 7.628 6.516 ( -0.000 19.158 -22.122) 29.265 7.155 ( 0.000 -2.055 2.338) 3.113 8.858 ( -0.000 -16.160 1.719) 16.251 9.033 ( -0.000 -0.186 -1.076) 1.092 9.331 ( -0.000 -5.113 -8.391) 9.826 9.382 ( 0.000 2.890 3.006) 4.170 9.780 ( 0.000 -26.947 31.954) 41.800 10.238 ( 0.000 -0.052 4.097) 4.098 10.602 ( -0.000 -13.965 4.824) 14.775 12.056 ( -0.000 -5.776 -3.852) 6.943 14.072 ( 0.000 4.213 -3.365) 5.392 14.788 ( 0.000 -0.264 3.964) 3.973 15.154 ( 0.000 19.601 -7.367) 20.940 16.125 ( -0.000 -6.769 -12.996) 14.653 16.636 ( -0.000 0.606 -4.587) 4.627 16.643 ( -0.000 -2.015 -2.916) 3.545 18.978 ( 0.000 -22.919 25.046) 33.950 19.270 ( 0.000 -0.749 12.527) 12.550 28.907 ( 0.000 -1.597 1.622) 2.276 29.187 ( 0.000 -1.192 4.135) 4.303 29.277 ( -0.000 -2.484 -6.979) 7.408 30.010 ( -0.000 33.739 -31.174) 45.936 30.106 ( -0.000 9.052 -11.545) 14.670 30.114 ( -0.000 1.550 -3.323) 3.667 31.459 ( -0.000 3.020 -4.436) 5.366 34.262 ( 0.000 -42.278 40.823) 58.770 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.13 -0.01 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 36.221 13.110 10.720) 39.985 2.120 ( 18.230 24.894 22.888) 38.418 2.930 ( 4.680 41.825 29.505) 51.399 3.987 ( 6.092 5.977 -1.537) 8.672 4.107 ( -4.806 -2.451 7.364) 9.129 4.240 ( 4.145 6.697 1.146) 7.959 4.312 ( 7.955 16.695 3.081) 18.748 5.601 ( 4.266 5.646 -10.526) 12.684 5.680 ( 5.498 5.153 -6.514) 9.961 6.153 ( -6.662 1.358 6.138) 9.160 6.870 ( 4.055 3.800 -29.018) 29.545 7.064 ( -2.501 -4.048 1.903) 5.125 8.394 ( -7.738 -11.571 13.396) 19.319 8.962 ( -4.004 -1.222 -3.472) 5.439 9.150 ( -3.065 -7.327 -1.338) 8.054 9.327 ( -2.376 -1.768 15.001) 15.291 9.690 ( 12.288 -1.642 9.683) 15.730 10.112 ( -8.047 -3.304 3.070) 9.225 10.315 ( -1.622 -9.498 2.945) 10.075 11.819 ( -5.436 -10.760 -3.340) 12.510 14.304 ( 5.477 10.778 -7.538) 14.248 14.852 ( 5.672 0.093 2.962) 6.400 15.506 ( 0.232 13.566 -5.245) 14.547 15.886 ( -2.720 -11.547 -8.363) 14.514 16.424 ( -7.180 -9.094 5.733) 12.928 16.656 ( -0.575 -0.412 -5.547) 5.592 18.728 ( -0.226 -1.379 13.527) 13.599 19.185 ( -5.050 -1.153 11.771) 12.861 28.836 ( -2.259 -1.473 -0.587) 2.760 29.168 ( -2.507 -4.416 -7.523) 9.076 29.192 ( 2.241 -1.309 5.198) 5.810 29.886 ( -7.419 -4.720 2.551) 9.155 30.345 ( 11.554 4.177 -5.185) 13.335 30.831 ( 8.384 17.578 -41.962) 46.261 31.582 ( 4.972 3.200 -2.338) 6.358 33.421 ( -14.748 -18.008 39.779) 46.089 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.13 -0.01 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 25.977 16.104 4.490) 30.892 3.020 ( 30.098 10.976 16.392) 35.987 3.786 ( -3.260 9.944 14.075) 17.539 3.831 ( -3.170 13.218 5.394) 14.624 4.197 ( 1.744 -1.808 4.588) 5.231 4.419 ( 5.816 -0.895 2.136) 6.260 4.894 ( 8.772 18.575 -0.002) 20.542 5.713 ( -3.589 -1.125 -6.663) 7.651 5.919 ( 8.929 3.020 -6.706) 11.568 6.108 ( -2.970 8.218 -6.419) 10.842 6.792 ( -3.118 -9.601 -7.727) 12.712 6.909 ( -5.888 -2.303 -2.331) 6.738 8.212 ( -0.441 2.819 12.616) 12.935 8.759 ( -6.753 -8.144 -0.485) 10.591 9.043 ( 1.121 2.027 1.280) 2.646 9.299 ( 0.289 0.201 4.835) 4.847 9.732 ( -2.166 -8.847 7.496) 11.796 9.804 ( -5.892 -7.695 4.128) 10.534 10.367 ( 9.256 8.427 -0.189) 12.519 11.393 ( -9.485 -13.824 -2.333) 16.927 14.687 ( 8.890 9.234 -8.313) 15.278 15.026 ( 6.957 3.142 -1.785) 7.839 15.555 ( -0.802 -13.278 -1.070) 13.345 15.725 ( -3.937 3.974 -8.221) 9.944 16.127 ( -4.601 0.072 9.481) 10.539 16.557 ( -6.155 -2.272 -3.536) 7.453 18.772 ( 1.613 2.426 7.525) 8.069 19.036 ( -5.634 -1.545 10.253) 11.800 28.788 ( -0.399 0.169 -4.421) 4.442 28.996 ( -4.050 -4.185 -8.897) 10.634 29.251 ( 3.988 0.684 8.009) 8.973 29.624 ( -5.988 -5.970 6.990) 10.971 30.715 ( 14.080 3.313 -11.716) 18.614 31.181 ( 1.396 6.814 -32.886) 33.614 31.776 ( 10.071 -0.714 4.106) 10.900 32.829 ( -18.225 -5.047 30.441) 35.836 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.13 -0.01 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 1.607 -1.607 6.873) 7.239 3.374 ( -1.748 1.748 9.709) 10.019 3.791 ( 9.904 -9.904 2.175) 14.175 3.856 ( 11.430 -11.430 8.536) 18.280 4.297 ( -3.838 3.838 2.311) 5.899 4.425 ( -5.764 5.764 11.642) 14.212 5.361 ( -1.468 1.468 -4.147) 4.638 5.461 ( -5.776 5.776 0.318) 8.174 6.135 ( 1.194 -1.194 -16.396) 16.482 6.223 ( -2.850 2.850 -19.467) 19.880 6.565 ( 5.048 -5.048 5.569) 9.055 6.777 ( -4.625 4.625 7.537) 9.979 8.399 ( 0.424 -0.424 6.516) 6.544 8.445 ( -1.821 1.821 7.719) 8.138 9.214 ( 0.121 -0.121 -2.497) 2.502 9.225 ( -0.170 0.170 -2.836) 2.846 9.577 ( 1.193 -1.193 7.376) 7.566 9.607 ( -0.227 0.227 9.643) 9.648 10.812 ( 4.018 -4.018 -3.653) 6.755 10.909 ( -0.527 0.527 0.934) 1.194 14.966 ( 4.573 -4.573 -7.813) 10.142 15.125 ( -1.373 1.373 -12.983) 13.127 15.424 ( 4.817 -4.817 7.300) 9.984 15.562 ( -0.880 0.880 0.016) 1.245 16.252 ( -1.527 1.527 -2.460) 3.274 16.361 ( -5.611 5.611 3.293) 8.591 18.851 ( 0.485 -0.485 6.407) 6.443 18.922 ( -2.915 2.915 9.591) 10.440 28.819 ( 0.957 -0.957 -8.024) 8.137 28.869 ( -1.343 1.343 -7.175) 7.422 29.382 ( 1.732 -1.732 8.744) 9.080 29.412 ( 0.293 -0.293 8.826) 8.836 30.949 ( 7.436 -7.436 -21.463) 23.900 31.238 ( -3.853 3.853 -24.930) 25.518 31.908 ( 12.241 -12.241 12.606) 21.415 32.535 ( -14.538 14.538 23.798) 31.450 ======================= Grid point 15 (9/90) ======================= q-point: ( 0.27 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.000 7.935 25.927) 27.115 2.468 ( 0.000 29.708 22.993) 37.566 3.646 ( 0.000 20.920 34.586) 40.420 3.809 ( -0.000 2.662 -7.192) 7.669 4.206 ( 0.000 12.041 6.218) 13.552 4.323 ( 0.000 17.427 6.787) 18.702 4.432 ( 0.000 -2.998 12.817) 13.163 5.305 ( -0.000 3.710 -7.463) 8.335 5.535 ( 0.000 8.429 -2.810) 8.885 6.373 ( -0.000 0.133 -11.240) 11.241 6.383 ( 0.000 2.979 3.374) 4.501 7.151 ( -0.000 -4.114 3.427) 5.354 8.558 ( -0.000 -10.223 -0.882) 10.261 9.000 ( -0.000 -0.173 -1.215) 1.227 9.046 ( -0.000 -3.571 -7.185) 8.024 9.591 ( 0.000 6.837 6.635) 9.527 9.778 ( -0.000 -14.050 7.490) 15.921 10.320 ( 0.000 -1.400 4.236) 4.461 10.330 ( -0.000 -13.941 -1.512) 14.023 11.773 ( -0.000 -9.777 -6.259) 11.609 14.135 ( 0.000 7.656 -2.737) 8.130 14.892 ( 0.000 -0.488 6.124) 6.143 15.436 ( 0.000 13.856 -2.193) 14.029 15.669 ( -0.000 -7.343 -12.625) 14.605 16.474 ( -0.000 -5.923 -4.115) 7.212 16.528 ( -0.000 1.152 -6.822) 6.918 19.046 ( 0.000 -8.745 12.783) 15.488 19.542 ( 0.000 -0.627 13.084) 13.099 28.906 ( -0.000 -2.096 1.461) 2.555 29.045 ( -0.000 -4.895 -5.948) 7.704 29.266 ( 0.000 -2.192 6.332) 6.701 30.031 ( -0.000 -1.221 -0.478) 1.311 30.055 ( -0.000 19.375 -20.484) 28.195 30.067 ( -0.000 2.783 -5.342) 6.023 31.427 ( -0.000 4.147 -5.626) 6.989 34.225 ( 0.000 -20.772 19.182) 28.274 ======================= Grid point 16 (10/90) ======================= q-point: ( 0.27 -0.02 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 28.548 8.992 16.988) 34.416 3.089 ( 7.501 19.949 20.758) 29.751 3.908 ( 3.392 5.909 -5.904) 9.016 4.013 ( -0.714 1.362 3.965) 4.253 4.364 ( 2.694 -2.070 4.620) 5.735 4.499 ( 1.740 13.131 28.767) 31.670 4.770 ( 4.420 18.373 1.746) 18.978 5.462 ( 4.772 4.275 -10.323) 12.149 5.684 ( 1.640 4.485 -2.471) 5.377 6.157 ( -11.646 -0.919 -8.873) 14.670 6.579 ( 5.778 0.106 -4.398) 7.263 7.042 ( -2.050 -2.834 4.143) 5.421 8.442 ( -0.865 0.417 4.052) 4.164 8.811 ( -6.770 -2.867 -3.444) 8.119 9.078 ( 1.759 -0.565 1.655) 2.481 9.472 ( -2.524 -7.771 5.554) 9.880 9.819 ( 5.595 0.276 6.596) 8.654 10.001 ( -2.689 -10.082 3.387) 10.970 10.277 ( 0.223 -0.381 1.033) 1.124 11.481 ( -5.085 -12.157 -3.845) 13.727 14.388 ( 4.443 10.504 -6.496) 13.125 14.922 ( 3.459 -0.708 3.850) 5.224 15.460 ( -0.237 -9.117 -8.891) 12.737 15.658 ( -2.783 6.385 -2.918) 7.551 16.301 ( -1.305 -6.548 0.576) 6.702 16.550 ( -1.114 1.415 -5.316) 5.612 18.952 ( 0.401 -0.781 10.230) 10.268 19.448 ( -6.547 -0.699 13.377) 14.909 28.788 ( -4.704 -2.007 -1.380) 5.297 28.910 ( -4.300 -2.873 -5.981) 7.907 29.313 ( 6.754 -1.527 7.867) 10.481 29.862 ( -5.817 -3.826 3.028) 7.592 30.247 ( 7.239 2.573 -9.954) 12.574 30.479 ( 6.070 11.278 -23.021) 26.344 31.575 ( 9.104 0.295 -2.259) 9.385 33.747 ( -13.190 -9.084 21.485) 26.797 ======================= Grid point 17 (11/90) ======================= q-point: ( 0.27 -0.02 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 30.852 8.306 8.645) 33.099 3.560 ( 9.733 1.537 11.764) 15.345 3.752 ( -6.920 -8.621 3.153) 11.496 4.028 ( 2.189 -9.132 7.608) 12.086 4.318 ( 3.663 -2.635 0.172) 4.516 4.816 ( 0.281 9.599 19.764) 21.974 5.205 ( 4.355 10.506 -2.028) 11.552 5.599 ( -2.239 4.064 -5.291) 7.037 5.811 ( -0.968 6.024 -9.388) 11.196 5.916 ( -8.451 0.800 -15.182) 17.395 6.567 ( 3.143 -7.679 1.440) 8.421 7.006 ( -2.800 3.568 5.582) 7.192 8.483 ( 1.355 1.527 5.343) 5.719 8.648 ( -2.633 -2.936 1.178) 4.116 9.150 ( 1.251 5.018 2.800) 5.881 9.292 ( -2.738 -3.942 0.775) 4.861 9.733 ( -2.350 -4.601 6.750) 8.500 9.833 ( -3.242 -1.702 7.030) 7.927 10.486 ( 12.081 3.212 -3.108) 12.881 11.088 ( -8.185 -9.161 0.577) 12.299 14.704 ( 6.605 7.013 -7.485) 12.200 14.926 ( -0.900 -4.544 -3.825) 6.008 15.366 ( 6.142 -2.272 -2.044) 6.861 15.569 ( -3.785 -6.526 -1.946) 7.791 16.232 ( -1.649 1.993 -1.295) 2.892 16.537 ( -3.688 2.712 -0.399) 4.595 18.990 ( 1.435 1.127 8.606) 8.798 19.293 ( -7.540 1.926 12.604) 14.813 28.681 ( -2.214 -0.593 -4.563) 5.106 28.788 ( -4.078 0.656 -5.654) 7.002 29.455 ( 7.104 0.728 8.834) 11.359 29.655 ( -3.456 -6.009 7.191) 9.988 30.411 ( 5.390 -0.884 -15.406) 16.346 30.738 ( 1.998 4.382 -22.494) 23.004 31.771 ( 15.996 -9.165 3.925) 18.848 33.364 ( -18.086 6.769 19.249) 27.266 ======================= Grid point 21 (12/90) ======================= q-point: ( 0.27 -0.02 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -14.079 14.079 25.562) 32.402 1.951 ( -20.699 20.699 21.501) 36.321 3.369 ( -8.659 8.659 48.063) 49.599 3.876 ( -6.852 6.852 6.314) 11.566 3.962 ( -5.503 5.503 -5.745) 9.673 4.145 ( -10.456 10.456 7.504) 16.582 4.463 ( 3.294 -3.294 12.022) 12.893 5.338 ( -4.363 4.363 -7.638) 9.819 5.363 ( -5.321 5.321 -2.172) 7.832 6.249 ( 3.482 -3.482 1.275) 5.087 6.453 ( -4.990 4.990 -3.553) 7.901 7.196 ( 2.361 -2.361 3.591) 4.903 8.753 ( 10.094 -10.094 0.422) 14.281 8.892 ( 3.640 -3.640 -8.430) 9.878 9.134 ( -0.460 0.460 -5.839) 5.876 9.502 ( -2.988 2.988 5.730) 7.120 10.028 ( 6.430 -6.430 4.467) 10.131 10.258 ( 4.319 -4.319 4.764) 7.746 10.530 ( 4.027 -4.027 -4.494) 7.255 11.879 ( 5.315 -5.315 -7.081) 10.327 14.068 ( -2.286 2.286 0.218) 3.241 14.929 ( -1.183 1.183 5.061) 5.330 15.209 ( -8.659 8.659 1.004) 12.286 15.754 ( 3.472 -3.472 -15.727) 16.476 16.515 ( -0.248 0.248 -6.907) 6.916 16.530 ( 0.342 -0.342 -5.819) 5.840 19.212 ( 8.726 -8.726 11.374) 16.782 19.502 ( 2.604 -2.604 13.597) 14.087 28.893 ( 3.521 -3.521 1.505) 5.203 29.104 ( 4.167 -4.167 -5.432) 8.015 29.349 ( -1.224 1.224 7.678) 7.871 29.770 ( -13.548 13.548 -15.549) 24.675 29.971 ( 0.634 -0.634 -1.216) 1.511 30.125 ( -5.084 5.084 -5.817) 9.249 31.389 ( -5.166 5.166 -6.558) 9.817 34.484 ( 18.594 -18.594 14.497) 30.028 ======================= Grid point 22 (13/90) ======================= q-point: ( 0.40 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 0.000 5.548 18.346) 19.166 3.431 ( 0.000 19.657 15.586) 25.086 3.618 ( -0.000 -0.260 -11.423) 11.426 4.074 ( 0.000 2.551 0.566) 2.613 4.432 ( -0.000 -5.139 3.701) 6.333 4.775 ( 0.000 11.862 3.107) 12.262 5.098 ( 0.000 10.853 24.949) 27.208 5.279 ( 0.000 2.834 -2.201) 3.588 5.679 ( 0.000 3.884 2.420) 4.576 6.089 ( -0.000 -3.836 -9.074) 9.851 6.457 ( 0.000 1.539 -1.104) 1.893 7.142 ( 0.000 -2.487 2.894) 3.815 8.433 ( -0.000 -0.201 -2.129) 2.139 8.973 ( 0.000 3.559 1.849) 4.011 8.983 ( -0.000 0.254 -0.497) 0.558 9.508 ( -0.000 -13.082 -3.876) 13.644 9.913 ( 0.000 8.266 7.069) 10.876 10.024 ( -0.000 -9.241 -1.667) 9.390 10.323 ( -0.000 -3.933 0.853) 4.024 11.449 ( -0.000 -7.924 -4.181) 8.959 14.239 ( 0.000 5.951 -2.522) 6.464 15.005 ( 0.000 -0.456 4.942) 4.963 15.274 ( -0.000 -4.515 -7.257) 8.547 15.674 ( 0.000 5.458 0.066) 5.458 16.279 ( -0.000 -4.239 -2.377) 4.860 16.417 ( -0.000 1.044 -5.448) 5.547 19.133 ( 0.000 -2.515 6.372) 6.850 19.757 ( 0.000 -0.399 7.717) 7.727 28.797 ( -0.000 -4.044 -2.752) 4.892 28.948 ( 0.000 0.053 0.029) 0.060 29.348 ( 0.000 -2.160 5.527) 5.934 29.988 ( -0.000 -2.183 -0.086) 2.185 30.013 ( -0.000 2.696 -5.070) 5.742 30.025 ( -0.000 8.397 -10.008) 13.064 31.393 ( -0.000 1.539 -3.454) 3.781 34.215 ( 0.000 -7.907 9.166) 12.105 ======================= Grid point 23 (14/90) ======================= q-point: ( 0.40 -0.03 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 23.419 4.977 12.403) 26.964 3.581 ( 0.395 1.224 -4.317) 4.504 3.811 ( 6.885 -5.899 0.442) 9.077 3.993 ( 0.745 -4.057 1.666) 4.449 4.332 ( 3.161 -7.082 8.120) 11.229 4.981 ( 0.444 5.826 -5.041) 7.717 5.310 ( 2.558 6.829 16.336) 17.890 5.409 ( 1.144 7.819 -6.866) 10.468 5.751 ( -0.183 3.718 -0.298) 3.734 5.929 ( -10.131 -0.289 -7.333) 12.510 6.489 ( 4.207 -4.756 -0.572) 6.375 7.134 ( -1.006 3.105 2.991) 4.427 8.459 ( 3.966 -2.258 -1.197) 4.718 8.765 ( -10.048 -0.844 -0.370) 10.090 9.193 ( 4.663 0.679 2.962) 5.566 9.314 ( 0.530 -2.059 0.736) 2.250 9.874 ( -1.334 -0.292 2.981) 3.279 10.100 ( -4.441 2.339 8.369) 9.759 10.224 ( 5.808 -3.078 -3.311) 7.360 11.255 ( -4.791 -4.503 2.022) 6.879 14.402 ( 4.744 3.389 -7.577) 9.560 14.992 ( -0.605 -0.729 5.412) 5.495 15.200 ( 0.919 -2.099 -4.402) 4.963 15.619 ( -2.335 -6.134 0.323) 6.571 16.244 ( -1.178 1.081 -0.736) 1.760 16.477 ( 2.447 1.570 -4.907) 5.703 19.132 ( 0.565 1.303 6.154) 6.316 19.679 ( -6.366 0.652 7.913) 10.176 28.697 ( -3.718 -0.462 -1.273) 3.957 28.848 ( -8.026 1.247 -0.764) 8.158 29.438 ( 9.403 -1.137 6.172) 11.305 29.829 ( -2.932 -5.635 2.717) 6.909 30.085 ( 1.102 1.991 -8.727) 9.019 30.272 ( 5.597 4.271 -12.682) 14.505 31.484 ( 11.535 -5.566 -0.972) 12.844 34.024 ( -11.999 3.174 11.213) 16.727 ======================= Grid point 24 (15/90) ======================= q-point: (-0.60 -0.03 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 13.593 -13.593 3.385) 19.519 3.305 ( 11.536 -11.536 7.792) 18.080 3.667 ( 1.147 -1.147 -5.459) 5.695 4.050 ( 6.172 -6.172 -8.519) 12.197 4.301 ( 4.163 -4.163 18.313) 19.236 5.046 ( -1.276 1.276 -8.310) 8.504 5.422 ( 1.783 -1.783 11.841) 12.106 5.599 ( -5.340 5.340 -14.554) 16.396 5.716 ( -6.313 6.313 -0.821) 8.965 5.813 ( -5.510 5.510 -4.054) 8.783 6.457 ( 6.637 -6.637 2.687) 9.763 7.176 ( -2.989 2.989 2.677) 5.004 8.491 ( 3.163 -3.163 0.755) 4.537 8.615 ( -0.751 0.751 -2.967) 3.152 9.178 ( 2.065 -2.065 -1.308) 3.200 9.404 ( -2.294 2.294 7.389) 8.070 9.909 ( -5.507 5.507 8.007) 11.170 9.947 ( -1.969 1.969 2.522) 3.757 10.331 ( 6.997 -6.997 -3.130) 10.379 11.133 ( -3.452 3.452 6.624) 8.229 14.506 ( 3.448 -3.448 -10.396) 11.483 14.963 ( -1.215 1.215 7.611) 7.802 15.218 ( 0.531 -0.531 -7.733) 7.769 15.483 ( 4.477 -4.477 3.531) 7.250 16.243 ( -2.020 2.020 -0.788) 2.964 16.530 ( 0.174 -0.174 -3.809) 3.817 19.166 ( -0.353 0.353 6.414) 6.434 19.598 ( -5.426 5.426 7.449) 10.694 28.653 ( -3.401 3.401 -0.076) 4.810 28.761 ( -4.257 4.257 -2.143) 6.390 29.609 ( 3.635 -3.635 5.672) 7.654 29.660 ( 4.198 -4.198 5.222) 7.907 30.121 ( 0.030 -0.030 -10.082) 10.082 30.383 ( 0.841 -0.841 -14.241) 14.290 31.566 ( 13.666 -13.666 1.102) 19.358 33.915 ( -13.314 13.314 11.427) 22.025 ======================= Grid point 27 (16/90) ======================= q-point: ( 0.40 -0.03 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -4.988 22.515 19.778) 30.380 2.950 ( -27.745 4.390 16.795) 32.728 3.684 ( -1.615 4.578 -6.760) 8.323 3.962 ( -7.434 3.170 -4.183) 9.101 4.545 ( 0.200 2.703 8.737) 9.148 4.574 ( -7.822 4.499 8.029) 12.079 4.842 ( -13.142 2.235 29.703) 32.558 5.308 ( 0.357 3.922 1.885) 4.366 5.564 ( -7.287 1.250 4.063) 8.436 6.099 ( 6.594 -7.660 -5.409) 11.464 6.467 ( -3.573 4.790 -2.843) 6.618 7.199 ( 4.053 -2.079 3.124) 5.523 8.509 ( 5.748 1.376 -2.981) 6.620 8.724 ( -1.614 -9.893 -4.235) 10.882 9.091 ( -0.708 3.375 -0.319) 3.464 9.692 ( 2.264 -2.655 3.517) 4.954 9.862 ( 0.741 5.905 -3.524) 6.917 10.203 ( 7.658 -4.623 -1.082) 9.010 10.359 ( 3.868 -2.413 -0.971) 4.661 11.567 ( 7.705 -4.760 -7.903) 12.020 14.171 ( -4.773 3.919 1.765) 6.423 15.023 ( 0.456 0.560 3.537) 3.610 15.356 ( 2.395 0.793 -7.721) 8.123 15.473 ( -7.697 -1.689 -1.770) 8.077 16.378 ( 2.540 0.802 -4.436) 5.175 16.414 ( -1.055 1.144 -3.913) 4.211 19.227 ( 5.945 -1.258 5.644) 8.294 19.698 ( 1.451 -5.596 8.051) 9.912 28.832 ( 4.502 -5.181 -1.009) 6.937 28.894 ( 4.285 -6.102 -2.787) 7.960 29.491 ( 1.069 6.958 4.868) 8.559 29.774 ( -8.816 -0.220 -5.850) 10.583 29.975 ( -1.998 1.182 -1.542) 2.787 30.101 ( -2.863 5.528 -3.637) 7.211 31.410 ( -7.877 9.646 -4.831) 13.357 34.328 ( 15.208 -12.615 6.287) 20.735 ======================= Grid point 29 (17/90) ======================= q-point: (-0.46 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -0.000 -0.479 -3.257) 3.292 3.460 ( 0.000 0.229 0.842) 0.873 3.670 ( -0.000 -11.697 -6.996) 13.629 4.052 ( -0.000 -6.080 2.282) 6.494 4.443 ( 0.000 3.405 3.755) 5.069 4.856 ( -0.000 -3.076 -4.652) 5.577 5.294 ( -0.000 2.772 -3.130) 4.181 5.428 ( -0.000 -2.664 -4.500) 5.230 5.739 ( -0.000 -0.710 -2.356) 2.461 5.968 ( 0.000 3.091 1.531) 3.449 6.432 ( -0.000 -2.319 0.685) 2.418 7.176 ( 0.000 2.674 -0.195) 2.681 8.396 ( -0.000 -1.264 0.657) 1.425 8.981 ( -0.000 0.108 -0.215) 0.241 9.029 ( -0.000 -7.172 -2.614) 7.634 9.384 ( 0.000 8.718 6.255) 10.729 9.976 ( 0.000 4.736 2.582) 5.394 10.036 ( -0.000 -5.309 -4.339) 6.857 10.302 ( 0.000 2.852 3.099) 4.212 11.366 ( 0.000 1.931 3.438) 3.943 14.238 ( -0.000 -0.955 -2.544) 2.717 15.059 ( 0.000 -0.011 0.285) 0.285 15.179 ( 0.000 1.214 1.683) 2.075 15.669 ( -0.000 -6.465 0.843) 6.520 16.244 ( 0.000 2.733 0.392) 2.761 16.360 ( -0.000 0.051 -0.636) 0.638 19.199 ( 0.000 2.023 0.291) 2.044 19.839 ( 0.000 0.146 0.108) 0.182 28.750 ( 0.000 1.403 1.617) 2.141 28.957 ( 0.000 1.341 -0.834) 1.579 29.399 ( 0.000 -0.441 1.599) 1.658 29.906 ( -0.000 -6.913 1.864) 7.160 29.972 ( -0.000 0.654 -1.989) 2.094 30.018 ( -0.000 3.661 -3.225) 4.878 31.344 ( -0.000 -3.427 0.918) 3.548 34.294 ( 0.000 4.726 1.521) 4.964 ======================= Grid point 30 (18/90) ======================= q-point: (-0.46 -0.04 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 21.468 -1.273 -9.084) 23.346 3.252 ( 1.198 -23.859 -10.629) 26.147 3.560 ( 6.414 -1.766 2.413) 7.077 3.863 ( 1.603 -10.348 3.313) 10.983 4.550 ( 1.199 2.955 7.811) 8.437 4.788 ( 3.437 -5.621 -11.458) 13.217 5.299 ( -0.402 -2.888 -13.437) 13.750 5.460 ( 4.125 2.643 -8.640) 9.932 5.686 ( -0.833 -3.575 -7.022) 7.924 5.992 ( -7.365 7.517 4.106) 11.296 6.404 ( 4.004 -4.720 2.872) 6.823 7.243 ( -1.722 4.194 -0.735) 4.593 8.432 ( 3.875 0.916 2.833) 4.887 8.693 ( -10.479 -1.963 -0.617) 10.679 9.098 ( 3.907 -2.030 -0.926) 4.499 9.587 ( 1.531 5.523 10.186) 11.688 9.897 ( 1.938 -5.223 -5.114) 7.562 10.150 ( -1.103 6.797 3.666) 7.801 10.309 ( -3.704 2.319 4.338) 6.157 11.391 ( -4.020 4.500 8.554) 10.468 14.251 ( 3.465 -2.195 -5.909) 7.193 15.073 ( 1.104 -0.271 -0.437) 1.218 15.197 ( -2.167 2.846 5.507) 6.566 15.465 ( 1.102 -9.339 0.827) 9.440 16.291 ( -0.845 1.493 2.301) 2.870 16.407 ( 2.719 -0.055 -2.715) 3.843 19.266 ( -0.488 3.442 1.745) 3.890 19.791 ( -5.072 2.150 -0.476) 5.529 28.774 ( -3.473 5.340 3.150) 7.106 28.882 ( -8.373 2.784 -0.316) 8.830 29.515 ( 9.215 -0.198 2.291) 9.497 29.718 ( -0.637 -8.779 1.510) 8.931 29.989 ( -0.197 0.832 -3.486) 3.589 30.117 ( 3.833 -0.592 -5.536) 6.760 31.329 ( 9.852 -9.126 2.262) 13.619 34.349 ( -10.639 11.503 4.043) 16.182 ======================= Grid point 33 (19/90) ======================= q-point: ( 0.54 -0.04 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -0.563 21.951 3.324) 22.209 3.483 ( -1.280 2.446 0.629) 2.831 3.761 ( -11.037 7.420 4.920) 14.180 4.041 ( -5.244 -0.975 -2.428) 5.861 4.481 ( 2.676 3.455 -3.488) 5.591 4.880 ( -2.427 1.942 4.093) 5.140 5.297 ( 1.498 0.044 3.499) 3.806 5.458 ( -0.904 2.465 3.935) 4.730 5.730 ( -0.821 -0.759 2.148) 2.422 5.866 ( 3.452 -8.861 -1.660) 9.654 6.494 ( -2.866 5.375 -1.035) 6.178 7.162 ( 2.627 -1.224 0.351) 2.919 8.447 ( -1.594 4.518 -0.496) 4.817 8.751 ( -2.067 -10.618 0.567) 10.833 9.177 ( -5.511 3.940 2.886) 7.364 9.403 ( 9.755 1.049 -6.185) 11.599 9.913 ( 2.139 -1.469 -1.027) 2.791 10.141 ( -4.689 1.279 3.845) 6.197 10.242 ( 4.106 -1.064 -4.159) 5.940 11.313 ( 2.230 -4.939 -3.372) 6.383 14.295 ( -1.442 5.252 2.436) 5.967 15.079 ( -0.273 1.738 0.774) 1.922 15.145 ( 1.630 -3.112 -2.822) 4.506 15.622 ( -4.414 -4.131 0.051) 6.046 16.263 ( 0.906 1.952 -1.917) 2.882 16.401 ( 0.318 3.135 1.349) 3.428 19.203 ( 1.834 0.415 -0.214) 1.893 19.764 ( 0.534 -6.620 0.035) 6.642 28.699 ( 1.747 -4.263 -1.276) 4.780 28.837 ( 1.189 -8.595 0.310) 8.683 29.518 ( -0.112 8.563 -0.868) 8.607 29.858 ( -3.722 -2.349 -0.502) 4.430 29.980 ( -0.052 0.929 0.806) 1.231 30.110 ( 0.844 5.427 2.541) 6.052 31.487 ( -4.535 13.447 -1.185) 14.240 34.154 ( 5.428 -12.861 -1.160) 14.008 ======================= Grid point 34 (20/90) ======================= q-point: ( 0.54 -0.04 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( -12.822 12.822 12.334) 21.930 3.359 ( -14.260 14.260 4.433) 20.648 3.669 ( -4.289 4.289 -4.814) 7.744 3.949 ( -6.000 6.000 -1.262) 8.578 4.575 ( -0.814 0.814 -6.023) 6.132 4.871 ( -3.666 3.666 7.653) 9.244 5.303 ( -0.003 0.003 10.601) 10.601 5.509 ( -0.724 0.724 7.225) 7.297 5.686 ( -0.697 0.697 2.407) 2.601 5.803 ( 9.475 -9.475 -3.089) 13.751 6.518 ( -6.381 6.381 -2.934) 9.489 7.192 ( 3.025 -3.025 1.060) 4.407 8.526 ( -3.089 3.089 -3.239) 5.439 8.548 ( 0.902 -0.902 2.936) 3.201 9.148 ( -1.593 1.593 1.357) 2.630 9.560 ( 4.926 -4.926 -6.406) 9.464 9.946 ( -1.094 1.094 1.074) 1.883 10.038 ( 6.900 -6.900 -3.795) 10.470 10.309 ( -3.263 3.263 -0.389) 4.632 11.278 ( 6.083 -6.083 -7.031) 11.110 14.348 ( -5.283 5.283 4.830) 8.897 15.086 ( 0.750 -0.750 4.502) 4.626 15.146 ( 1.643 -1.643 -9.413) 9.696 15.493 ( -1.296 1.296 1.603) 2.435 16.294 ( -1.156 1.156 -4.758) 5.031 16.452 ( -1.318 1.318 2.966) 3.502 19.247 ( 1.257 -1.257 -0.772) 1.938 19.671 ( 5.348 -5.348 0.622) 7.589 28.683 ( 4.836 -4.836 -2.771) 7.379 28.731 ( 5.008 -5.008 0.847) 7.132 29.673 ( -2.788 2.788 0.191) 3.947 29.735 ( -4.288 4.288 -2.401) 6.522 29.993 ( -0.663 0.663 1.819) 2.046 30.180 ( -1.633 1.633 4.444) 5.009 31.610 ( -15.305 15.305 -2.865) 21.834 34.057 ( 15.483 -15.483 -1.920) 21.980 ======================= Grid point 36 (21/90) ======================= q-point: (-0.33 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -0.000 -4.821 -21.769) 22.296 2.909 ( -0.000 -28.410 -18.670) 33.996 3.623 ( 0.000 0.539 9.472) 9.488 3.929 ( -0.000 -9.111 1.338) 9.209 4.504 ( -0.000 -13.025 -10.159) 16.519 4.528 ( -0.000 3.549 -9.791) 10.415 4.830 ( -0.000 -13.044 -28.468) 31.314 5.253 ( -0.000 -0.010 -2.449) 2.449 5.555 ( -0.000 -7.884 -4.467) 9.062 6.198 ( 0.000 5.475 6.652) 8.616 6.400 ( -0.000 -3.018 1.196) 3.247 7.222 ( 0.000 4.270 -2.946) 5.188 8.488 ( 0.000 6.001 5.176) 7.925 8.921 ( 0.000 -1.329 3.710) 3.940 8.984 ( 0.000 0.373 0.261) 0.455 9.734 ( -0.000 -8.206 -6.864) 10.698 9.776 ( 0.000 11.261 6.858) 13.185 10.248 ( 0.000 10.252 4.801) 11.321 10.390 ( 0.000 2.407 -1.660) 2.924 11.619 ( 0.000 7.563 8.190) 11.148 14.129 ( -0.000 -3.551 -1.906) 4.030 15.014 ( -0.000 0.363 -4.652) 4.667 15.348 ( 0.000 0.038 7.129) 7.129 15.494 ( -0.000 -8.076 2.752) 8.532 16.369 ( 0.000 2.874 4.722) 5.528 16.397 ( 0.000 -0.769 4.696) 4.758 19.240 ( 0.000 7.168 -5.251) 8.885 19.766 ( -0.000 0.494 -7.585) 7.601 28.898 ( 0.000 5.012 3.114) 5.900 28.978 ( 0.000 3.020 -0.103) 3.022 29.387 ( -0.000 1.396 -3.857) 4.102 29.790 ( -0.000 -11.746 5.863) 13.128 29.968 ( 0.000 -1.498 2.761) 3.141 30.020 ( -0.000 -0.644 0.193) 0.672 31.304 ( 0.000 -6.154 5.447) 8.219 34.470 ( 0.000 14.964 -5.045) 15.792 ======================= Grid point 37 (22/90) ======================= q-point: (-0.33 -0.04 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 11.309 -11.309 -22.822) 27.868 2.398 ( 15.863 -15.863 -19.848) 29.953 3.662 ( 0.743 -0.743 4.689) 4.805 3.810 ( 5.700 -5.700 8.122) 11.444 4.342 ( 8.120 -8.120 -14.824) 18.751 4.585 ( 8.261 -8.261 -39.264) 40.965 4.653 ( -2.966 2.966 -4.469) 6.129 5.308 ( 1.391 -1.391 -5.165) 5.527 5.410 ( 5.290 -5.290 -6.057) 9.626 6.224 ( -4.984 4.984 3.110) 7.704 6.395 ( 3.067 -3.067 2.961) 5.251 7.271 ( -2.475 2.475 -3.202) 4.744 8.649 ( -1.607 1.607 12.347) 12.554 8.753 ( -8.922 8.922 0.165) 12.618 9.069 ( 1.897 -1.897 1.085) 2.894 9.631 ( 4.028 -4.028 -6.470) 8.620 9.935 ( -2.680 2.680 12.469) 13.032 10.333 ( -4.839 4.839 -1.691) 7.050 10.430 ( -1.777 1.777 3.395) 4.224 11.700 ( -4.539 4.539 9.643) 11.584 14.112 ( 0.833 -0.833 -3.601) 3.789 15.026 ( 0.170 -0.170 -3.639) 3.647 15.255 ( 7.369 -7.369 -2.476) 10.711 15.451 ( -1.949 1.949 12.207) 12.515 16.393 ( 0.354 -0.354 5.955) 5.976 16.398 ( 0.711 -0.711 3.379) 3.525 19.349 ( -4.536 4.536 -2.241) 6.795 19.745 ( -2.811 2.811 -8.683) 9.550 28.932 ( -4.862 4.862 -1.848) 7.120 29.002 ( -5.003 5.003 4.724) 8.507 29.494 ( 2.534 -2.534 -4.859) 6.037 29.578 ( 6.533 -6.533 4.464) 10.260 29.952 ( 0.498 -0.498 -0.112) 0.713 30.028 ( 3.739 -3.739 1.997) 5.652 31.245 ( 6.493 -6.493 6.357) 11.169 34.640 ( -12.333 12.333 -1.588) 17.514 ======================= Grid point 39 (23/90) ======================= q-point: (-0.33 -0.04 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 5.582 23.232 -16.282) 28.914 3.430 ( 15.197 1.716 -9.987) 18.266 3.745 ( 4.794 9.319 6.299) 12.227 4.066 ( 0.857 -0.801 -0.518) 1.283 4.464 ( -4.457 3.002 -4.001) 6.699 4.809 ( 10.125 2.842 -2.762) 10.873 5.107 ( 11.359 1.206 -23.468) 26.100 5.318 ( 1.706 3.021 2.156) 4.085 5.682 ( 3.820 0.222 -1.874) 4.261 5.972 ( -4.392 -9.468 7.569) 12.892 6.527 ( 1.239 5.435 1.840) 5.871 7.124 ( -2.220 -1.622 -3.105) 4.147 8.470 ( 0.688 2.910 0.769) 3.087 8.756 ( 1.205 -9.399 1.363) 9.574 9.119 ( 2.498 3.333 -2.317) 4.766 9.506 ( -11.570 -1.162 2.285) 11.851 9.913 ( 0.372 1.282 -1.742) 2.194 10.060 ( -2.397 0.235 -3.201) 4.006 10.288 ( -2.985 -1.224 0.429) 3.254 11.394 ( -8.016 -5.056 4.152) 10.347 14.295 ( 6.166 5.102 2.256) 8.314 15.009 ( -0.774 0.124 -4.108) 4.183 15.272 ( -4.306 -0.018 7.761) 8.876 15.628 ( 4.871 -3.961 0.700) 6.317 16.291 ( -4.661 1.227 0.911) 4.905 16.443 ( 1.550 1.817 4.427) 5.030 19.136 ( -2.152 0.317 -6.391) 6.751 19.679 ( -0.473 -6.804 -7.816) 10.373 28.742 ( -3.551 -4.538 2.625) 6.332 28.841 ( -0.823 -7.457 1.004) 7.569 29.465 ( -1.316 8.031 -5.628) 9.895 29.881 ( 0.959 -4.066 1.166) 4.337 30.040 ( 2.939 2.316 6.957) 7.900 30.168 ( 4.381 6.959 7.905) 11.406 31.526 ( 2.066 12.536 2.260) 12.904 34.070 ( -7.810 -13.336 -9.334) 18.055 ======================= Grid point 40 (24/90) ======================= q-point: (-0.33 -0.04 0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 5.436 28.167 -9.675) 30.275 3.637 ( -0.235 4.694 3.340) 5.766 3.837 ( -15.693 -3.515 -5.105) 16.873 4.091 ( 3.647 6.239 2.763) 7.737 4.431 ( -8.020 6.063 -9.671) 13.950 4.978 ( 5.122 -1.163 2.186) 5.689 5.376 ( 7.839 2.653 -11.509) 14.176 5.440 ( 5.120 2.328 6.769) 8.801 5.673 ( -0.279 -12.598 5.841) 13.889 5.719 ( 2.392 -3.581 1.471) 4.550 6.606 ( -6.140 6.889 -1.974) 9.436 7.101 ( 3.443 -2.373 -3.017) 5.156 8.551 ( -1.647 3.753 -1.580) 4.392 8.639 ( -1.687 -0.936 1.692) 2.566 9.213 ( 1.969 -1.512 -1.666) 2.990 9.313 ( 0.486 -1.504 -1.999) 2.549 9.851 ( -1.572 -2.853 -4.099) 5.236 9.938 ( 0.092 -6.328 -3.068) 7.033 10.426 ( -0.862 11.303 2.323) 11.571 11.113 ( -2.630 -8.287 -1.836) 8.886 14.536 ( 1.547 7.480 6.639) 10.120 14.952 ( -0.770 -3.431 -4.635) 5.818 15.235 ( -1.523 2.432 7.499) 8.029 15.553 ( -1.179 -3.730 1.548) 4.207 16.248 ( -2.696 1.927 -3.011) 4.477 16.511 ( 1.801 0.368 2.093) 2.786 19.153 ( 0.732 1.460 -6.010) 6.228 19.513 ( 2.205 -8.484 -7.456) 11.508 28.611 ( 0.237 -3.674 1.871) 4.130 28.698 ( 1.733 -5.780 2.827) 6.664 29.617 ( 0.252 6.822 -5.928) 9.042 29.775 ( -3.981 -2.084 -4.047) 6.048 30.130 ( -0.557 3.112 10.107) 10.590 30.354 ( 3.262 1.544 13.237) 13.720 31.845 ( -10.223 21.725 -2.822) 24.175 33.670 ( 7.532 -20.502 -9.691) 23.895 ======================= Grid point 43 (25/90) ======================= q-point: (-0.20 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -0.000 -4.653 -29.148) 29.517 1.806 ( -0.000 -29.709 -25.238) 38.982 3.279 ( -0.000 -12.186 -57.449) 58.727 3.770 ( 0.000 -0.378 1.713) 1.754 3.949 ( -0.000 -10.365 1.790) 10.518 4.005 ( -0.000 -12.156 -6.861) 13.959 4.505 ( -0.000 3.350 -12.165) 12.618 5.249 ( 0.000 -1.671 4.759) 5.044 5.338 ( -0.000 -8.767 3.824) 9.565 6.336 ( -0.000 -1.428 -3.021) 3.342 6.347 ( 0.000 -1.866 2.260) 2.931 7.221 ( -0.000 2.324 -3.682) 4.354 8.835 ( 0.000 13.552 3.704) 14.049 9.010 ( 0.000 0.679 0.899) 1.126 9.095 ( 0.000 0.859 12.045) 12.076 9.467 ( -0.000 -4.474 -4.879) 6.620 10.095 ( 0.000 15.805 -4.103) 16.329 10.344 ( -0.000 0.779 -5.229) 5.287 10.542 ( 0.000 4.313 8.841) 9.837 11.936 ( 0.000 5.347 7.341) 9.082 14.057 ( -0.000 0.810 -1.394) 1.612 14.900 ( -0.000 0.273 -6.106) 6.112 15.116 ( -0.000 -15.391 -1.694) 15.484 15.791 ( 0.000 3.986 16.712) 17.181 16.510 ( 0.000 -0.606 6.714) 6.741 16.525 ( 0.000 -0.683 7.005) 7.038 19.309 ( 0.000 14.185 -8.612) 16.594 19.551 ( -0.000 0.283 -12.869) 12.872 28.950 ( -0.000 2.178 -2.386) 3.230 29.154 ( 0.000 4.871 4.346) 6.528 29.303 ( -0.000 1.200 -6.181) 6.296 29.611 ( -0.000 -20.761 7.661) 22.129 30.022 ( 0.000 -1.385 4.864) 5.057 30.026 ( 0.000 -1.197 3.276) 3.487 31.329 ( 0.000 -4.249 7.372) 8.509 34.709 ( 0.000 22.030 -9.010) 23.801 ======================= Grid point 45 (26/90) ======================= q-point: (-0.20 -0.05 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 8.646 27.015 -20.742) 35.139 2.564 ( 29.294 9.532 -19.458) 36.436 3.638 ( 15.658 1.294 -23.690) 28.427 3.963 ( 3.171 11.489 -2.006) 12.086 4.213 ( 13.808 1.036 -8.710) 16.359 4.398 ( 0.095 -0.650 -11.010) 11.030 4.416 ( 12.777 6.313 -7.700) 16.198 5.389 ( 2.714 7.051 8.384) 11.286 5.548 ( 8.536 1.108 3.481) 9.284 6.191 ( -2.153 -8.531 2.332) 9.102 6.541 ( 3.135 6.359 5.811) 9.167 7.125 ( -4.113 -2.403 -3.527) 5.927 8.521 ( -8.500 -3.911 -1.807) 9.530 8.854 ( -1.365 -6.697 6.560) 9.473 9.113 ( -1.966 1.336 1.706) 2.926 9.558 ( 0.710 -2.342 -7.984) 8.350 9.870 ( -6.412 6.991 -4.497) 10.498 10.184 ( -4.522 -7.831 -2.847) 9.480 10.367 ( -8.885 -1.421 -0.854) 9.038 11.717 ( -9.720 -5.225 6.113) 12.615 14.182 ( 8.235 4.501 3.130) 9.893 14.934 ( -0.366 3.311 -4.458) 5.565 15.435 ( 11.272 0.495 1.895) 11.441 15.646 ( -6.480 -2.136 12.265) 14.035 16.460 ( -6.282 -1.248 2.447) 6.857 16.527 ( 0.721 -0.685 5.906) 5.989 19.028 ( -6.702 -1.703 -12.810) 14.557 19.466 ( -1.076 -5.908 -13.206) 14.508 28.831 ( -2.309 -4.913 -0.180) 5.432 29.000 ( -5.092 -3.896 6.817) 9.359 29.343 ( -1.168 4.714 -7.902) 9.275 29.909 ( -0.698 -4.992 1.854) 5.370 30.133 ( 11.770 7.716 17.213) 22.234 30.238 ( 7.344 8.214 9.735) 14.703 31.511 ( 5.281 7.636 4.290) 10.227 34.056 ( -19.168 -14.731 -20.382) 31.620 ======================= Grid point 46 (27/90) ======================= q-point: (-0.20 -0.05 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 11.736 27.617 -11.912) 32.285 3.346 ( 15.615 17.182 -12.768) 26.497 3.951 ( -1.802 -3.780 -5.328) 6.777 3.974 ( 4.688 0.898 -1.414) 4.978 4.442 ( -3.519 4.396 -8.549) 10.237 4.574 ( 11.334 3.956 -20.704) 23.933 4.906 ( 15.721 8.495 -1.916) 17.972 5.570 ( 0.044 4.094 8.751) 9.662 5.702 ( 5.075 -0.669 8.088) 9.572 5.931 ( -2.675 -8.447 9.039) 12.657 6.674 ( -1.412 3.707 1.763) 4.341 6.978 ( -1.768 -4.084 -4.904) 6.622 8.413 ( 3.075 -0.667 -6.574) 7.288 8.730 ( -3.180 -1.595 2.360) 4.269 9.084 ( 0.496 -0.504 -2.372) 2.475 9.398 ( -5.384 -4.351 -3.876) 7.934 9.867 ( -6.259 -2.614 -4.672) 8.236 9.916 ( -6.771 -4.347 -4.602) 9.269 10.364 ( 6.633 8.509 -0.088) 10.789 11.326 ( -11.904 -9.369 3.784) 15.614 14.522 ( 9.612 7.819 6.139) 13.828 14.990 ( -1.524 1.891 1.279) 2.745 15.461 ( -5.638 0.466 7.570) 9.450 15.596 ( 3.483 -2.678 3.971) 5.922 16.279 ( -5.895 -0.375 -4.400) 7.366 16.493 ( 1.182 -4.345 1.949) 4.907 18.969 ( 0.355 1.316 -9.965) 10.058 19.289 ( -1.398 -7.482 -12.193) 14.373 28.702 ( -1.336 -2.883 3.416) 4.665 28.812 ( -2.991 -4.685 7.656) 9.461 29.440 ( 0.806 4.860 -9.120) 10.365 29.756 ( -3.765 -4.224 -4.910) 7.492 30.416 ( 0.813 8.449 15.815) 17.949 30.583 ( 9.621 2.743 21.508) 23.721 31.864 ( 1.921 17.520 -3.271) 17.926 33.371 ( -8.459 -21.153 -20.188) 30.439 ======================= Grid point 47 (28/90) ======================= q-point: (-0.20 -0.05 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( -4.408 4.408 -8.832) 10.810 3.577 ( -0.028 0.028 -8.633) 8.633 3.821 ( -8.274 8.274 -0.586) 11.717 4.070 ( -1.200 1.200 -8.559) 8.726 4.394 ( -5.541 5.541 -7.671) 10.966 4.745 ( 7.544 -7.544 -15.027) 18.429 5.303 ( -1.637 1.637 -0.575) 2.385 5.465 ( 5.816 -5.816 -0.398) 8.235 5.786 ( 1.592 -1.592 14.554) 14.727 5.804 ( 2.266 -2.266 18.821) 19.092 6.675 ( -6.438 6.438 -4.874) 10.327 6.920 ( 4.869 -4.869 -6.083) 9.188 8.541 ( -1.744 1.744 -5.879) 6.376 8.597 ( 0.805 -0.805 -5.619) 5.733 9.190 ( 1.130 -1.130 0.100) 1.601 9.193 ( 1.652 -1.652 0.027) 2.336 9.717 ( -2.020 2.020 -5.217) 5.948 9.791 ( 0.951 -0.951 -6.649) 6.783 10.728 ( -5.939 5.939 4.020) 9.312 10.922 ( 3.130 -3.130 -0.506) 4.456 14.855 ( -0.857 0.857 11.018) 11.084 14.856 ( -0.495 0.496 2.358) 2.460 15.469 ( -1.884 1.884 7.536) 7.993 15.523 ( -0.559 0.559 -0.676) 1.040 16.238 ( -2.534 2.534 -1.928) 4.068 16.438 ( 5.033 -5.033 -3.421) 7.897 19.026 ( -1.544 1.544 -9.038) 9.298 19.156 ( 4.506 -4.506 -11.239) 12.920 28.663 ( -0.376 0.376 6.292) 6.315 28.718 ( 2.130 -2.130 6.467) 7.135 29.571 ( -1.624 1.624 -8.310) 8.622 29.598 ( -0.361 0.361 -8.227) 8.243 30.519 ( -4.497 4.497 18.339) 19.410 30.714 ( 3.914 -3.914 22.197) 22.876 32.167 ( -18.582 18.582 -10.330) 28.236 32.962 ( 17.413 -17.413 -16.174) 29.462 ======================= Grid point 51 (29/90) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.000 0.000 -34.193) 34.193 0.743 ( -0.000 0.000 -34.193) 34.193 1.638 ( -0.000 0.000 -75.425) 75.425 3.599 ( -0.000 0.000 -6.765) 6.765 3.912 ( 0.000 -0.000 2.320) 2.320 3.912 ( 0.000 -0.000 2.320) 2.320 4.282 ( -0.000 0.000 -10.542) 10.542 5.392 ( 0.000 -0.000 9.819) 9.819 5.392 ( 0.000 -0.000 9.819) 9.819 6.213 ( -0.000 0.000 -6.821) 6.821 6.213 ( -0.000 0.000 -6.821) 6.821 7.177 ( -0.000 0.000 -2.461) 2.461 9.035 ( 0.000 -0.000 0.721) 0.721 9.035 ( 0.000 -0.000 0.721) 0.721 9.350 ( -0.000 0.000 -2.140) 2.140 9.385 ( 0.000 -0.000 10.347) 10.347 10.238 ( -0.000 0.000 -4.460) 4.460 10.238 ( -0.000 0.000 -4.460) 4.460 10.878 ( 0.000 -0.000 11.999) 11.999 12.117 ( 0.000 -0.000 3.972) 3.972 14.082 ( -0.000 0.000 -0.821) 0.821 14.791 ( -0.000 0.000 -3.972) 3.972 14.791 ( -0.000 0.000 -3.972) 3.972 16.199 ( 0.000 -0.000 14.750) 14.750 16.629 ( 0.000 -0.000 4.607) 4.607 16.629 ( 0.000 -0.000 4.607) 4.607 19.267 ( -0.000 0.000 -12.069) 12.069 19.482 ( -0.000 0.000 -0.739) 0.739 28.927 ( -0.000 0.000 -1.885) 1.885 29.200 ( -0.000 0.000 -4.169) 4.169 29.200 ( -0.000 0.000 -4.169) 4.169 29.346 ( 0.000 -0.000 3.912) 3.912 30.098 ( 0.000 -0.000 3.295) 3.295 30.098 ( 0.000 -0.000 3.295) 3.295 31.422 ( 0.000 -0.000 4.963) 4.963 34.987 ( -0.000 0.000 -0.264) 0.264 ======================= Grid point 52 (30/90) ======================= q-point: (-0.06 -0.06 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 20.861 20.861 -17.758) 34.434 1.535 ( 27.077 27.077 -16.213) 41.584 2.208 ( 21.545 21.545 -53.583) 61.640 3.811 ( 8.493 8.493 -2.741) 12.319 4.049 ( 5.498 5.498 2.601) 8.199 4.065 ( 7.400 7.400 -1.129) 10.527 4.211 ( -2.889 -2.889 -10.138) 10.930 5.493 ( 4.348 4.348 8.818) 10.750 5.556 ( 5.472 5.472 9.308) 12.105 6.165 ( -2.290 -2.290 -6.153) 6.954 6.699 ( 11.418 11.418 27.330) 31.744 7.132 ( -2.194 -2.194 -2.245) 3.830 8.697 ( -14.314 -14.314 -8.149) 21.822 8.990 ( -1.887 -1.887 2.089) 3.389 9.284 ( -4.527 -4.527 6.227) 8.931 9.359 ( -1.444 -1.444 -11.007) 11.195 9.739 ( -2.843 -2.843 -22.097) 22.459 10.162 ( -3.568 -3.568 -3.587) 6.190 10.526 ( -7.690 -7.690 -4.496) 11.767 11.995 ( -5.690 -5.690 3.749) 8.878 14.124 ( 5.596 5.596 5.576) 9.680 14.835 ( 2.048 2.048 -3.387) 4.456 15.252 ( 9.205 9.205 6.111) 14.381 16.066 ( -5.497 -5.497 12.100) 14.382 16.584 ( -5.190 -5.190 -2.185) 7.658 16.659 ( 0.540 0.540 5.993) 6.042 18.839 ( -9.034 -9.034 -23.297) 26.570 19.217 ( -2.273 -2.273 -11.756) 12.188 28.874 ( -2.038 -2.038 -0.299) 2.898 29.205 ( 0.232 0.232 -5.370) 5.380 29.248 ( -2.729 -2.729 7.395) 8.342 29.983 ( -4.668 -4.668 0.141) 6.603 30.236 ( 6.169 6.169 4.068) 9.625 30.376 ( 24.048 24.048 46.551) 57.651 31.502 ( 3.644 3.644 3.841) 6.428 33.903 ( -25.576 -25.576 -45.018) 57.749 ======================= Grid point 53 (31/90) ======================= q-point: (-0.06 -0.06 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 21.636 21.636 -8.311) 31.706 2.686 ( 25.819 25.819 -8.552) 37.502 3.160 ( 21.734 21.734 -29.886) 42.871 3.965 ( -6.938 -6.938 -7.557) 12.384 4.137 ( 5.610 5.610 -1.450) 8.065 4.364 ( 6.111 6.111 -0.180) 8.644 4.544 ( 13.872 13.872 -2.246) 19.747 5.690 ( 3.381 3.381 8.155) 9.453 5.828 ( 7.102 7.102 9.439) 13.784 6.035 ( -2.894 -2.894 -3.489) 5.378 6.914 ( -0.810 -0.810 22.800) 22.828 6.983 ( -4.842 -4.842 -2.385) 7.251 8.238 ( -5.275 -5.275 -14.170) 16.013 8.890 ( -3.812 -3.812 4.952) 7.320 9.062 ( -3.848 -3.848 -2.871) 6.153 9.301 ( -0.471 -0.471 -10.510) 10.531 9.864 ( 0.430 0.430 -7.856) 7.879 9.947 ( -6.267 -6.267 -2.699) 9.265 10.259 ( -0.463 -0.463 -1.374) 1.523 11.651 ( -10.265 -10.265 3.093) 14.843 14.472 ( 9.840 9.840 8.512) 16.313 14.962 ( 3.888 3.888 -1.197) 5.628 15.572 ( 6.391 6.391 5.503) 10.582 15.787 ( -7.237 -7.237 8.015) 12.999 16.241 ( -8.768 -8.768 -11.857) 17.156 16.618 ( -2.834 -2.834 5.556) 6.851 18.734 ( 1.033 1.033 -10.118) 10.223 19.089 ( -3.520 -3.520 -10.594) 11.705 28.798 ( -1.149 -1.149 2.899) 3.323 29.090 ( -4.380 -4.380 9.017) 10.940 29.232 ( 1.274 1.274 -7.354) 7.571 29.746 ( -5.923 -5.923 -4.956) 9.732 30.579 ( 9.464 9.464 7.839) 15.511 31.012 ( 8.323 8.323 38.834) 40.579 31.711 ( 6.018 6.018 -0.893) 8.557 33.070 ( -16.081 -16.081 -35.805) 42.417 ======================= Grid point 54 (32/90) ======================= q-point: (-0.06 -0.06 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 15.955 15.955 -8.803) 24.220 3.553 ( -3.118 -3.118 -12.085) 12.864 3.672 ( 10.249 10.249 -0.978) 14.527 3.955 ( 13.341 13.341 -7.707) 20.381 4.193 ( -2.652 -2.652 -8.713) 9.486 4.441 ( -4.006 -4.006 -4.607) 7.302 5.123 ( 12.667 12.667 0.577) 17.923 5.574 ( -8.122 -8.122 2.693) 11.798 6.099 ( 4.658 4.658 11.739) 13.462 6.118 ( 5.277 5.277 15.530) 17.230 6.731 ( -5.215 -5.215 2.333) 7.736 6.746 ( -5.339 -5.339 -5.905) 9.586 8.267 ( 5.581 5.581 -9.980) 12.724 8.593 ( -8.571 -8.571 -4.257) 12.847 9.107 ( 4.694 4.694 1.157) 6.738 9.294 ( -1.415 -1.415 1.507) 2.505 9.630 ( -5.051 -5.051 -10.218) 12.467 9.681 ( -5.402 -5.402 -5.223) 9.254 10.609 ( 12.329 12.329 0.810) 17.454 11.154 ( -12.776 -12.776 2.086) 18.188 14.893 ( 9.250 9.250 10.549) 16.805 15.114 ( 1.168 1.168 7.035) 7.227 15.513 ( -3.594 -3.594 -0.827) 5.150 15.623 ( -5.074 -5.074 -0.235) 7.179 16.128 ( 5.155 5.155 -6.392) 9.695 16.414 ( -6.518 -6.518 2.138) 9.463 18.816 ( 2.490 2.490 -7.479) 8.267 18.940 ( -3.322 -3.322 -8.696) 9.884 28.799 ( 1.349 1.349 6.431) 6.708 28.910 ( -3.714 -3.714 8.891) 10.327 29.327 ( 3.292 3.292 -8.746) 9.907 29.508 ( -5.121 -5.121 -8.248) 10.976 30.971 ( 7.974 7.974 18.057) 21.289 31.169 ( -0.717 -0.717 30.453) 30.470 32.013 ( 8.492 8.492 -12.450) 17.298 32.460 ( -12.687 -12.687 -26.208) 31.761 ======================= Grid point 58 (33/90) ======================= q-point: ( 0.07 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 0.000 19.081 -0.000) 19.081 0.811 ( 0.000 37.479 -0.000) 37.479 1.345 ( 0.000 61.838 -0.000) 61.838 3.660 ( 0.000 11.865 -0.000) 11.865 3.986 ( 0.000 4.962 -0.000) 4.962 4.018 ( 0.000 7.170 -0.000) 7.170 4.139 ( -0.000 -2.098 0.000) 2.098 5.573 ( 0.000 3.479 -0.000) 3.479 5.593 ( 0.000 5.806 -0.000) 5.806 6.099 ( -0.000 -1.087 0.000) 1.087 7.129 ( -0.000 -1.934 0.000) 1.934 7.818 ( 0.000 0.141 -0.000) 0.141 8.010 ( -0.000 -8.009 0.000) 8.009 9.036 ( -0.000 -0.465 0.000) 0.465 9.046 ( 0.000 0.187 -0.000) 0.187 9.348 ( 0.000 1.955 -0.000) 1.955 9.424 ( -0.000 -6.651 0.000) 6.651 10.192 ( 0.000 0.363 -0.000) 0.363 10.499 ( -0.000 -8.397 0.000) 8.397 12.097 ( -0.000 -5.900 0.000) 5.900 14.147 ( 0.000 6.820 -0.000) 6.820 14.745 ( -0.000 -0.255 0.000) 0.255 15.390 ( 0.000 8.177 -0.000) 8.177 16.262 ( -0.000 -10.221 0.000) 10.221 16.623 ( -0.000 -5.047 0.000) 5.047 16.687 ( 0.000 0.581 -0.000) 0.581 18.443 ( 0.000 3.792 -0.000) 3.792 19.119 ( -0.000 -0.496 0.000) 0.496 28.888 ( -0.000 -1.584 0.000) 1.584 29.142 ( -0.000 -1.150 0.000) 1.150 29.365 ( -0.000 -2.280 0.000) 2.280 30.104 ( -0.000 -2.948 0.000) 2.948 30.151 ( 0.000 1.573 -0.000) 1.573 31.430 ( 0.000 6.719 -0.000) 6.719 31.474 ( -0.000 -0.319 0.000) 0.319 32.939 ( -0.000 -3.951 0.000) 3.951 ======================= Grid point 59 (34/90) ======================= q-point: ( 0.07 -0.07 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 52.268 9.303 0.000) 53.090 1.742 ( 14.868 29.487 -0.000) 33.024 2.615 ( 3.143 52.955 -0.000) 53.048 4.006 ( 5.778 8.699 -0.000) 10.444 4.008 ( -5.460 -4.441 -0.000) 7.038 4.239 ( 4.670 6.801 -0.000) 8.249 4.281 ( 7.863 16.912 -0.000) 18.650 5.710 ( 5.514 3.522 0.000) 6.542 5.815 ( 3.420 10.995 -0.000) 11.515 6.017 ( -4.248 -2.383 -0.000) 4.870 7.039 ( -2.580 -4.416 0.000) 5.114 7.648 ( -9.547 -13.687 0.000) 16.688 7.845 ( 0.990 2.302 -0.000) 2.505 8.997 ( -1.837 0.329 -0.000) 1.866 9.100 ( 2.515 1.866 0.000) 3.131 9.167 ( -6.059 -10.591 0.000) 12.202 9.584 ( 12.834 1.344 0.000) 12.904 10.077 ( -8.021 -3.236 -0.000) 8.649 10.281 ( -1.091 -7.904 0.000) 7.978 11.855 ( -5.491 -11.073 0.000) 12.359 14.409 ( 5.939 10.833 -0.000) 12.354 14.819 ( 6.515 0.348 0.000) 6.524 15.605 ( -0.735 13.671 -0.000) 13.691 15.951 ( -1.134 -16.454 0.000) 16.493 16.328 ( -12.223 -6.476 -0.000) 13.832 16.723 ( 0.074 -1.127 0.000) 1.130 18.563 ( 2.017 4.381 -0.000) 4.823 19.046 ( -4.225 -1.224 -0.000) 4.399 28.846 ( -0.457 -1.092 0.000) 1.183 29.124 ( 1.124 -1.419 0.000) 1.810 29.273 ( -2.110 -4.102 0.000) 4.613 29.848 ( -8.987 -6.496 -0.000) 11.089 30.402 ( 12.974 4.678 0.000) 13.791 31.555 ( 7.771 -1.956 0.000) 8.014 31.644 ( 1.254 10.184 -0.000) 10.261 32.692 ( -11.552 -6.117 -0.000) 13.072 ======================= Grid point 60 (35/90) ======================= q-point: ( 0.07 -0.07 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 14.197 21.140 -0.000) 25.465 2.791 ( 46.373 6.452 0.000) 46.820 3.602 ( -0.076 19.354 -0.000) 19.354 3.777 ( -5.839 10.281 -0.000) 11.823 4.165 ( 0.563 -3.590 0.000) 3.634 4.399 ( 4.882 -2.315 0.000) 5.403 4.895 ( 9.137 19.912 -0.000) 21.908 5.807 ( -8.962 -4.566 -0.000) 10.058 5.973 ( 11.667 5.148 0.000) 12.752 6.164 ( 4.040 13.869 -0.000) 14.446 6.816 ( -5.923 -8.446 0.000) 10.316 7.100 ( -12.761 -14.348 0.000) 19.202 7.998 ( 4.156 7.567 -0.000) 8.633 8.761 ( -9.597 -11.030 0.000) 14.621 9.031 ( 2.311 3.661 -0.000) 4.330 9.237 ( 4.128 4.576 -0.000) 6.163 9.640 ( -3.694 -9.682 0.000) 10.363 9.758 ( -6.015 -8.577 0.000) 10.475 10.369 ( 9.582 9.031 0.000) 13.167 11.418 ( -9.507 -14.425 0.000) 17.276 14.794 ( 10.551 7.436 0.000) 12.908 15.050 ( 8.859 6.636 0.000) 11.069 15.553 ( -0.857 -18.385 0.000) 18.405 15.900 ( -15.171 -5.824 -0.000) 16.250 15.932 ( 2.461 14.914 -0.000) 15.116 16.603 ( -6.512 -3.799 -0.000) 7.539 18.688 ( 1.748 3.510 -0.000) 3.921 18.917 ( -4.535 -1.676 -0.000) 4.835 28.851 ( 1.267 1.201 0.000) 1.745 29.115 ( -3.186 -4.696 0.000) 5.675 29.151 ( 2.687 0.301 0.000) 2.704 29.524 ( -7.104 -7.012 -0.000) 9.982 30.855 ( 18.465 5.784 0.000) 19.350 31.634 ( 9.390 -10.510 0.000) 14.094 31.859 ( -2.223 10.438 -0.000) 10.672 32.266 ( -18.463 -1.261 -0.000) 18.506 ======================= Grid point 61 (36/90) ======================= q-point: ( 0.07 -0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( -13.342 -10.125 -0.000) 16.748 3.228 ( 10.125 13.342 -0.000) 16.748 3.762 ( -3.186 -29.720 0.000) 29.890 3.762 ( 29.720 3.186 0.000) 29.890 4.289 ( -13.676 -1.696 -0.000) 13.780 4.289 ( 1.696 13.676 -0.000) 13.780 5.435 ( -14.628 -6.422 -0.000) 15.976 5.435 ( 6.422 14.628 -0.000) 15.976 6.415 ( -5.350 -12.066 0.000) 13.199 6.415 ( 12.066 5.350 0.000) 13.199 6.574 ( -10.544 -3.199 0.000) 11.018 6.574 ( 3.199 10.544 0.000) 11.018 8.332 ( -10.398 -8.353 -0.000) 13.337 8.332 ( 8.352 10.398 -0.000) 13.337 9.272 ( -7.177 -9.048 0.000) 11.548 9.272 ( 9.048 7.177 0.000) 11.548 9.470 ( -6.743 -6.176 -0.000) 9.144 9.470 ( 6.176 6.743 -0.000) 9.144 10.876 ( -11.078 -14.810 0.000) 18.495 10.876 ( 14.810 11.078 0.000) 18.495 15.161 ( 1.074 -13.093 0.000) 13.137 15.161 ( 13.093 -1.074 0.000) 13.137 15.452 ( -11.440 -4.325 0.000) 12.231 15.452 ( 4.325 11.440 0.000) 12.231 16.306 ( -11.938 -4.313 -0.000) 12.694 16.306 ( 4.313 11.938 -0.000) 12.694 18.795 ( -3.239 -1.105 0.000) 3.423 18.795 ( 1.105 3.239 0.000) 3.423 28.952 ( -2.678 -3.118 0.000) 4.110 28.952 ( 3.118 2.678 0.000) 4.110 29.276 ( -3.356 -5.088 0.000) 6.095 29.276 ( 5.088 3.356 0.000) 6.095 31.374 ( 4.334 -17.184 0.000) 17.722 31.374 ( 17.184 -4.334 0.000) 17.722 31.997 ( -10.615 9.778 0.000) 14.432 31.997 ( -9.778 10.615 0.000) 14.432 ======================= Grid point 66 (37/90) ======================= q-point: ( 0.21 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.000 12.968 22.557) 26.019 1.936 ( 0.000 28.874 26.376) 39.108 2.885 ( 0.000 45.069 28.558) 53.355 3.912 ( 0.000 7.537 -2.660) 7.993 4.162 ( 0.000 0.778 4.221) 4.292 4.204 ( 0.000 3.198 4.826) 5.790 4.222 ( 0.000 18.114 2.841) 18.336 5.546 ( -0.000 6.578 -14.066) 15.528 5.622 ( 0.000 4.788 -3.356) 5.847 6.245 ( 0.000 2.295 9.541) 9.813 6.806 ( -0.000 7.528 -33.613) 34.446 7.090 ( -0.000 -4.048 2.130) 4.574 8.489 ( -0.000 -14.921 10.667) 18.342 9.031 ( -0.000 0.148 -1.596) 1.603 9.176 ( -0.000 -9.060 -4.013) 9.909 9.417 ( 0.000 -10.041 25.744) 27.633 9.463 ( 0.000 4.576 4.933) 6.728 10.238 ( 0.000 0.147 3.035) 3.038 10.297 ( -0.000 -15.328 3.227) 15.664 11.877 ( -0.000 -10.926 -3.391) 11.440 14.247 ( 0.000 11.214 -7.064) 13.253 14.780 ( 0.000 -0.479 3.945) 3.974 15.514 ( 0.000 15.269 -5.888) 16.365 15.915 ( -0.000 -12.804 -8.018) 15.108 16.507 ( -0.000 -9.563 1.122) 9.629 16.655 ( -0.000 1.177 -4.545) 4.695 18.732 ( 0.000 -3.175 15.052) 15.383 19.253 ( 0.000 -1.030 12.515) 12.557 28.869 ( 0.000 -1.657 1.539) 2.262 29.151 ( 0.000 -2.137 4.035) 4.566 29.200 ( -0.000 -4.416 -7.585) 8.777 30.021 ( -0.000 -4.545 1.164) 4.692 30.164 ( -0.000 3.088 -3.418) 4.606 30.723 ( -0.000 22.313 -42.876) 48.334 31.528 ( -0.000 3.221 -3.763) 4.953 33.596 ( 0.000 -21.448 40.971) 46.245 ======================= Grid point 67 (38/90) ======================= q-point: ( 0.21 -0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 37.983 11.261 9.267) 40.686 2.614 ( 10.606 21.798 21.590) 32.461 3.772 ( 0.556 33.967 14.884) 37.089 3.978 ( -5.860 -4.627 4.203) 8.568 4.124 ( 4.731 2.796 2.098) 5.882 4.296 ( 3.883 -3.429 1.950) 5.535 4.747 ( 5.025 23.032 0.649) 23.583 5.715 ( 1.986 4.882 -11.419) 12.577 5.761 ( 5.509 3.030 -5.043) 8.060 6.232 ( -7.158 6.025 3.754) 10.081 6.842 ( -1.234 -6.166 -19.132) 20.139 6.982 ( -1.307 -3.267 -1.816) 3.960 8.259 ( -2.938 -1.068 14.565) 14.896 8.884 ( -5.477 -7.264 -3.175) 9.636 9.046 ( -0.529 -0.868 1.357) 1.696 9.290 ( 0.653 -1.264 10.193) 10.292 9.664 ( 7.056 -1.181 6.901) 9.940 9.919 ( -4.409 -12.314 3.376) 13.509 10.258 ( 1.586 2.312 0.678) 2.885 11.548 ( -5.042 -14.503 -2.316) 15.528 14.548 ( 3.859 11.274 -7.455) 14.056 14.859 ( 7.448 1.210 1.738) 7.743 15.563 ( -0.159 -15.612 -0.943) 15.641 15.802 ( -3.202 9.696 -9.367) 13.857 16.245 ( -4.950 -6.009 4.529) 9.006 16.655 ( -2.938 0.466 -4.208) 5.154 18.747 ( 0.768 2.450 7.938) 8.343 19.162 ( -5.426 -1.024 11.964) 13.176 28.815 ( -1.911 -0.478 -1.368) 2.399 29.070 ( -2.658 -4.510 -7.932) 9.504 29.160 ( 4.311 -1.661 6.005) 7.577 29.767 ( -7.380 -6.886 5.305) 11.402 30.419 ( 12.995 3.000 -5.944) 14.601 31.100 ( 5.054 6.831 -31.847) 32.961 31.638 ( 3.201 3.058 -5.481) 7.045 33.160 ( -11.890 -6.666 33.087) 35.784 ======================= Grid point 68 (39/90) ======================= q-point: ( 0.21 -0.08 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 33.521 10.102 1.653) 35.049 3.240 ( 16.187 9.032 15.569) 24.207 3.635 ( -9.848 -9.171 7.524) 15.418 3.888 ( -2.606 -21.885 5.536) 22.724 4.314 ( 0.393 10.366 1.683) 10.509 4.451 ( 4.435 5.433 9.743) 12.005 5.289 ( 3.230 17.360 -3.724) 18.046 5.689 ( -9.358 0.077 -3.565) 10.015 6.021 ( 8.199 6.444 -8.362) 13.367 6.274 ( -3.086 6.266 -15.959) 17.420 6.562 ( -3.571 -11.261 -1.306) 11.885 6.888 ( -4.490 0.773 4.741) 6.575 8.321 ( 1.993 6.139 9.076) 11.138 8.592 ( -6.912 -6.356 3.398) 9.986 9.120 ( 3.573 4.573 0.153) 5.806 9.293 ( -1.404 -1.763 -1.525) 2.722 9.566 ( -0.804 -4.713 8.946) 10.144 9.674 ( -4.065 -4.482 6.473) 8.861 10.544 ( 12.980 7.274 -2.029) 15.016 11.084 ( -8.249 -14.514 -0.048) 16.695 14.814 ( 7.131 2.473 -4.089) 8.584 15.110 ( 4.099 1.548 -10.161) 11.065 15.287 ( 6.229 -7.587 6.380) 11.708 15.673 ( -7.475 -7.393 -5.460) 11.847 16.262 ( -1.339 9.972 -0.581) 10.078 16.540 ( -8.264 0.900 -0.290) 8.318 18.828 ( 1.102 2.442 5.743) 6.337 19.025 ( -5.892 0.721 11.231) 12.703 28.797 ( 0.327 0.300 -6.046) 6.062 28.928 ( -3.245 -1.780 -6.965) 7.887 29.266 ( 6.483 0.730 8.328) 10.579 29.484 ( -4.431 -7.206 8.264) 11.826 30.738 ( 11.858 -0.653 -14.280) 18.573 31.217 ( 5.574 -5.367 -16.862) 18.553 31.746 ( 2.152 0.873 -6.789) 7.175 32.863 ( -14.852 6.885 27.540) 32.038 ======================= Grid point 73 (40/90) ======================= q-point: ( 0.34 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 0.000 9.163 22.101) 23.925 3.011 ( 0.000 21.326 23.472) 31.714 3.861 ( -0.000 1.983 -10.436) 10.623 4.016 ( 0.000 8.438 5.538) 10.093 4.337 ( 0.000 -1.957 4.585) 4.985 4.488 ( 0.000 11.730 29.098) 31.373 4.722 ( 0.000 19.575 1.944) 19.671 5.406 ( -0.000 5.797 -9.984) 11.545 5.663 ( 0.000 3.926 -1.032) 4.059 6.353 ( -0.000 -1.581 -16.815) 16.889 6.451 ( 0.000 2.757 2.407) 3.660 7.065 ( 0.000 -3.341 4.019) 5.226 8.446 ( 0.000 -0.955 1.885) 2.113 8.958 ( -0.000 -4.090 -0.220) 4.095 9.003 ( -0.000 0.481 -1.403) 1.483 9.498 ( -0.000 -11.971 5.529) 13.186 9.742 ( 0.000 7.063 8.855) 11.327 10.026 ( -0.000 -13.281 1.810) 13.404 10.286 ( 0.000 -1.771 2.143) 2.780 11.536 ( -0.000 -12.256 -3.824) 12.838 14.341 ( 0.000 10.856 -6.985) 12.909 14.880 ( 0.000 -0.603 6.154) 6.183 15.463 ( -0.000 -10.361 -9.010) 13.731 15.692 ( 0.000 7.333 -2.898) 7.885 16.318 ( -0.000 -6.410 -0.695) 6.448 16.557 ( -0.000 1.544 -7.010) 7.178 18.948 ( 0.000 -1.185 10.351) 10.418 19.524 ( 0.000 -0.943 13.670) 13.702 28.852 ( -0.000 -3.040 -1.246) 3.286 28.971 ( -0.000 -1.665 -3.584) 3.952 29.213 ( 0.000 -2.758 6.427) 6.994 29.960 ( -0.000 -5.677 2.622) 6.253 30.139 ( -0.000 3.994 -5.983) 7.194 30.399 ( -0.000 12.720 -25.016) 28.065 31.481 ( -0.000 0.804 -4.731) 4.799 33.892 ( 0.000 -10.105 21.752) 23.984 ======================= Grid point 74 (41/90) ======================= q-point: ( 0.34 -0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 28.399 7.968 14.268) 32.765 3.408 ( 4.528 9.325 17.751) 20.556 3.866 ( -3.331 -10.240 -1.093) 10.824 3.966 ( 3.551 -6.343 -1.318) 7.388 4.236 ( 3.066 -6.048 1.401) 6.924 4.794 ( 0.899 11.292 25.088) 27.527 5.139 ( 2.058 14.864 -5.168) 15.871 5.584 ( 1.822 7.903 -9.557) 12.534 5.784 ( 2.554 6.242 -3.052) 7.403 6.151 ( -11.686 0.151 -12.940) 17.436 6.521 ( 2.389 -5.741 -2.727) 6.790 7.040 ( -0.627 2.617 5.646) 6.255 8.460 ( 1.360 -0.538 2.430) 2.836 8.754 ( -7.681 -1.770 1.474) 8.019 9.107 ( 3.512 2.751 3.442) 5.634 9.315 ( 0.271 -5.564 0.540) 5.597 9.770 ( -1.802 -3.808 7.018) 8.186 9.901 ( -1.077 -0.028 9.632) 9.692 10.289 ( 5.497 0.520 -2.689) 6.142 11.227 ( -4.634 -11.042 0.700) 11.996 14.596 ( 3.353 8.360 -9.515) 13.102 14.902 ( 2.445 -1.353 2.199) 3.555 15.262 ( 3.155 -8.379 -0.275) 8.957 15.650 ( -3.283 -7.154 -4.742) 9.189 16.282 ( -2.475 4.886 -2.088) 5.862 16.585 ( -0.964 1.846 -4.985) 5.402 18.968 ( 0.645 1.616 8.541) 8.716 19.443 ( -5.846 0.507 13.722) 14.924 28.748 ( -3.553 -1.388 -3.106) 4.919 28.884 ( -4.943 0.110 -3.158) 5.867 29.283 ( 8.631 -1.202 7.868) 11.741 29.736 ( -3.979 -8.151 6.037) 10.895 30.298 ( 5.036 2.519 -10.213) 11.662 30.646 ( 5.334 3.774 -21.891) 22.845 31.537 ( 6.261 -2.854 -4.579) 8.265 33.677 ( -10.716 1.909 21.492) 24.091 ======================= Grid point 75 (42/90) ======================= q-point: ( 0.34 -0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 11.766 -11.766 6.692) 17.935 3.165 ( 14.548 -14.548 7.300) 21.831 3.789 ( -2.567 2.567 -3.301) 4.907 3.809 ( 5.441 -5.441 23.039) 24.290 4.273 ( 4.091 -4.091 -8.008) 9.880 4.917 ( -0.461 0.461 23.151) 23.160 5.329 ( -2.675 2.675 -9.616) 10.333 5.742 ( -6.455 6.455 -1.558) 9.260 5.953 ( -5.993 5.993 -8.812) 12.227 5.967 ( -5.071 5.071 -18.713) 20.040 6.408 ( 5.794 -5.794 1.932) 8.418 7.083 ( -2.931 2.931 5.913) 7.221 8.464 ( 1.882 -1.882 2.314) 3.526 8.643 ( -1.933 1.933 1.128) 2.957 9.198 ( 1.303 -1.303 -0.609) 1.941 9.266 ( -0.510 0.510 5.147) 5.197 9.721 ( -2.892 2.892 9.068) 9.947 9.825 ( -1.437 1.437 8.418) 8.660 10.440 ( 7.255 -7.255 -6.620) 12.210 10.998 ( -0.616 0.616 6.125) 6.186 14.783 ( 2.137 -2.137 -14.827) 15.132 14.838 ( 0.192 -0.192 3.855) 3.865 15.349 ( 6.731 -6.731 7.785) 12.297 15.395 ( 1.642 -1.642 -8.310) 8.628 16.322 ( -5.363 5.363 -5.767) 9.528 16.594 ( -2.252 2.252 -1.866) 3.692 19.003 ( -0.065 0.065 8.209) 8.210 19.370 ( -4.997 4.997 13.362) 15.116 28.690 ( -1.683 1.683 -3.479) 4.215 28.827 ( -2.752 2.752 -4.086) 5.643 29.450 ( 4.220 -4.220 8.960) 10.765 29.520 ( 3.633 -3.633 7.668) 9.231 30.387 ( 1.308 -1.308 -14.221) 14.341 30.747 ( 3.568 -3.568 -18.304) 18.987 31.580 ( 6.895 -6.895 -3.581) 10.388 33.574 ( -11.249 11.249 20.632) 26.053 ======================= Grid point 81 (43/90) ======================= q-point: ( 0.47 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.000 5.080 14.294) 15.170 3.607 ( -0.000 -0.725 -12.431) 12.452 3.686 ( 0.000 1.229 7.404) 7.505 3.996 ( -0.000 -8.217 2.789) 8.678 4.299 ( 0.000 -6.693 7.164) 9.804 4.974 ( -0.000 6.251 -6.398) 8.945 5.283 ( 0.000 6.569 17.192) 18.404 5.394 ( 0.000 8.386 -6.166) 10.409 5.749 ( 0.000 3.845 0.742) 3.916 6.050 ( -0.000 -0.454 -8.811) 8.823 6.437 ( -0.000 -3.508 -1.031) 3.657 7.145 ( 0.000 2.890 3.140) 4.268 8.413 ( -0.000 -2.241 -1.878) 2.924 8.992 ( -0.000 0.538 -0.858) 1.013 9.027 ( 0.000 -2.032 3.677) 4.202 9.307 ( -0.000 -2.345 0.613) 2.423 9.913 ( 0.000 -0.509 3.566) 3.602 10.061 ( 0.000 4.731 4.079) 6.247 10.227 ( -0.000 -4.629 1.608) 4.900 11.307 ( -0.000 -4.939 2.106) 5.369 14.350 ( -0.000 3.987 -7.989) 8.929 14.995 ( 0.000 -0.457 5.237) 5.257 15.191 ( -0.000 -2.876 -2.165) 3.600 15.645 ( -0.000 -8.131 0.689) 8.160 16.267 ( 0.000 3.418 -2.132) 4.029 16.440 ( -0.000 1.140 -6.283) 6.386 19.126 ( 0.000 1.358 6.228) 6.374 19.751 ( 0.000 0.046 8.073) 8.073 28.741 ( -0.000 -0.995 -1.023) 1.427 28.971 ( 0.000 1.900 -0.167) 1.907 29.299 ( 0.000 -2.440 6.714) 7.144 29.872 ( -0.000 -7.772 2.316) 8.110 30.080 ( -0.000 3.451 -7.047) 7.846 30.186 ( -0.000 5.669 -13.391) 14.542 31.363 ( -0.000 -3.879 -2.940) 4.867 34.154 ( 0.000 1.882 11.747) 11.897 ======================= Grid point 82 (44/90) ======================= q-point: (-0.53 -0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 23.186 3.531 8.602) 24.981 3.345 ( -1.289 -26.271 2.716) 26.442 3.634 ( 2.529 -1.490 -8.906) 9.377 3.910 ( 5.197 -6.790 -7.281) 11.231 4.235 ( 2.152 -2.076 19.802) 20.026 5.051 ( 0.364 1.199 -13.053) 13.113 5.371 ( 2.120 -0.608 11.714) 11.919 5.624 ( 0.707 11.102 -10.731) 15.456 5.858 ( -2.684 3.954 -9.193) 10.361 5.945 ( -7.641 3.352 -0.757) 8.378 6.358 ( 2.626 -6.613 1.201) 7.216 7.221 ( -1.376 4.269 2.922) 5.353 8.412 ( 3.644 -1.547 -0.525) 3.993 8.724 ( -9.029 -1.644 -1.794) 9.351 9.124 ( 4.098 -2.736 -1.266) 5.087 9.385 ( 2.799 2.085 8.240) 8.949 9.943 ( -1.583 5.392 4.007) 6.902 10.086 ( -3.954 -2.596 2.419) 5.313 10.190 ( 3.801 -0.005 3.870) 5.425 11.212 ( -3.176 0.103 8.222) 8.815 14.433 ( 2.812 -0.058 -11.450) 11.790 14.982 ( -0.488 -0.199 6.805) 6.826 15.189 ( 2.183 0.886 -1.887) 3.019 15.415 ( 1.320 -11.454 2.794) 11.863 16.312 ( -3.843 4.298 -4.043) 7.042 16.503 ( 2.193 0.758 -5.713) 6.166 19.168 ( 0.096 1.597 6.989) 7.170 19.714 ( -4.704 2.615 7.725) 9.415 28.730 ( -3.125 3.566 0.731) 4.797 28.886 ( -7.532 2.174 -0.152) 7.841 29.418 ( 10.836 -0.682 6.341) 12.573 29.655 ( -0.829 -10.387 4.693) 11.428 30.132 ( -1.033 2.366 -9.488) 9.833 30.322 ( 4.300 0.189 -13.135) 13.822 31.337 ( 7.225 -7.074 -3.421) 10.674 34.163 ( -8.965 8.680 13.410) 18.317 ======================= Grid point 86 (45/90) ======================= q-point: ( 0.47 -0.10 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -15.040 15.040 17.894) 27.795 3.167 ( -18.403 18.403 11.635) 28.509 3.779 ( -4.516 4.516 -4.058) 7.567 4.044 ( -3.308 3.308 -5.250) 7.032 4.566 ( -0.008 0.008 5.559) 5.559 4.724 ( -8.228 8.228 6.199) 13.185 4.955 ( -8.181 8.181 27.231) 29.587 5.364 ( -1.135 1.135 -1.067) 1.928 5.618 ( -3.373 3.373 3.477) 5.903 5.914 ( 9.193 -9.193 -6.447) 14.512 6.576 ( -5.202 5.202 -2.492) 7.767 7.139 ( 3.409 -3.409 3.649) 6.047 8.491 ( 2.071 -2.071 2.673) 3.965 8.634 ( -1.186 1.186 -6.474) 6.688 9.125 ( -0.454 0.454 0.847) 1.062 9.609 ( 5.828 -5.828 2.395) 8.583 9.969 ( -2.470 2.470 -3.111) 4.678 10.066 ( 7.012 -7.012 0.923) 9.959 10.318 ( 0.363 -0.363 0.015) 0.513 11.426 ( 8.190 -8.190 -6.789) 13.426 14.289 ( -6.883 6.883 0.842) 9.770 15.023 ( 0.742 -0.742 1.820) 2.101 15.354 ( 2.117 -2.117 -10.148) 10.580 15.463 ( -1.907 1.907 0.424) 2.730 16.395 ( 0.176 -0.176 -3.612) 3.620 16.427 ( -0.482 0.482 -0.965) 1.182 19.188 ( 2.201 -2.201 6.455) 7.167 19.576 ( 4.980 -4.980 8.078) 10.717 28.724 ( 4.472 -4.472 -0.268) 6.331 28.765 ( 5.405 -5.405 -4.989) 9.128 29.592 ( -2.186 2.186 6.952) 7.608 29.802 ( -2.001 2.001 -3.736) 4.687 30.031 ( -4.195 4.195 -6.194) 8.577 30.201 ( -3.616 3.616 -5.796) 7.729 31.674 ( -13.728 13.728 -2.818) 19.617 33.990 ( 17.482 -17.482 8.445) 26.126 ======================= Grid point 88 (46/90) ======================= q-point: (-0.39 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -0.000 -1.104 -9.024) 9.092 3.246 ( -0.000 -25.726 -12.302) 28.516 3.473 ( 0.000 0.981 2.371) 2.566 3.852 ( -0.000 -11.330 3.720) 11.925 4.536 ( 0.000 4.234 8.291) 9.310 4.749 ( -0.000 -6.386 -12.832) 14.333 5.322 ( -0.000 -6.483 -13.895) 15.333 5.387 ( -0.000 5.256 -9.403) 10.772 5.699 ( -0.000 -3.359 -8.330) 8.982 6.078 ( 0.000 6.416 4.520) 7.849 6.359 ( -0.000 -3.858 2.113) 4.399 7.262 ( 0.000 4.595 -0.562) 4.629 8.387 ( 0.000 1.271 3.176) 3.421 8.890 ( -0.000 -4.016 -0.294) 4.027 8.988 ( -0.000 0.612 -0.578) 0.842 9.556 ( 0.000 5.153 11.687) 12.772 9.881 ( -0.000 -8.085 -7.001) 10.695 10.145 ( 0.000 9.913 5.471) 11.323 10.366 ( 0.000 2.583 4.244) 4.968 11.435 ( 0.000 4.026 8.947) 9.811 14.213 ( -0.000 -0.821 -6.174) 6.228 15.059 ( 0.000 -0.027 0.795) 0.796 15.221 ( 0.000 2.376 3.947) 4.607 15.452 ( -0.000 -12.504 2.470) 12.746 16.314 ( 0.000 2.927 -0.102) 2.929 16.362 ( -0.000 0.116 -1.782) 1.786 19.270 ( 0.000 4.064 2.108) 4.579 19.850 ( 0.000 1.090 -0.171) 1.104 28.815 ( 0.000 4.773 3.692) 6.034 29.004 ( 0.000 2.811 -1.452) 3.164 29.383 ( 0.000 -0.917 4.199) 4.298 29.729 ( -0.000 -9.623 1.796) 9.789 29.995 ( -0.000 1.395 -5.304) 5.484 30.062 ( -0.000 0.543 -5.173) 5.201 31.222 ( -0.000 -7.085 1.599) 7.263 34.467 ( 0.000 10.391 5.022) 11.541 ======================= Grid point 89 (47/90) ======================= q-point: (-0.39 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 10.164 -10.164 -13.316) 19.594 2.745 ( 12.640 -12.640 -11.101) 21.042 3.548 ( 1.609 -1.609 3.460) 4.141 3.664 ( 6.226 -6.226 3.661) 9.535 4.593 ( -1.137 1.137 11.020) 11.136 4.671 ( 4.708 -4.708 -16.890) 18.155 5.226 ( 2.548 -2.548 -19.291) 19.625 5.522 ( -0.625 0.625 -12.644) 12.675 5.599 ( 2.575 -2.575 -11.486) 12.049 6.142 ( -5.755 5.755 4.093) 9.110 6.321 ( 2.817 -2.817 3.808) 5.511 7.317 ( -2.516 2.516 -0.789) 3.644 8.443 ( 0.889 -0.889 6.300) 6.424 8.751 ( -7.984 7.984 -0.192) 11.292 9.066 ( 1.853 -1.853 -0.517) 2.671 9.613 ( 2.318 -2.318 15.152) 15.503 9.778 ( 4.573 -4.573 -7.255) 9.719 10.307 ( -4.975 4.975 4.397) 8.297 10.351 ( -2.698 2.698 5.123) 6.388 11.478 ( -3.242 3.242 11.178) 12.081 14.221 ( 0.482 -0.482 -7.047) 7.080 15.066 ( 0.413 -0.413 0.419) 0.719 15.250 ( -1.850 1.850 6.212) 6.741 15.273 ( 7.546 -7.546 1.559) 10.784 16.324 ( -1.630 1.630 -0.134) 2.309 16.393 ( 1.202 -1.202 -2.965) 3.418 19.325 ( -1.883 1.883 4.133) 4.917 19.850 ( -2.892 2.892 -0.887) 4.185 28.903 ( -4.972 4.972 4.299) 8.241 28.957 ( -5.377 5.377 -0.326) 7.612 29.508 ( 5.503 -5.503 3.398) 8.492 29.515 ( 4.655 -4.655 2.840) 7.170 30.009 ( -0.912 0.912 -5.635) 5.781 30.084 ( 2.191 -2.191 -7.108) 7.754 31.155 ( 6.325 -6.325 1.319) 9.042 34.578 ( -8.812 8.812 7.209) 14.397 ======================= Grid point 92 (48/90) ======================= q-point: ( 0.61 -0.11 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( -1.888 26.313 4.858) 26.824 3.572 ( -1.711 6.155 -0.084) 6.389 3.896 ( -14.005 2.336 0.038) 14.199 4.040 ( -0.567 2.519 -0.025) 2.583 4.579 ( 0.225 5.430 -2.844) 6.134 4.918 ( -0.663 1.033 2.615) 2.889 5.287 ( 0.932 -0.950 3.535) 3.777 5.516 ( 0.123 2.756 3.538) 4.487 5.631 ( 4.063 -12.044 -1.998) 12.867 5.709 ( -0.083 -1.557 0.752) 1.731 6.643 ( -4.112 8.241 -1.360) 9.310 7.126 ( 2.500 -2.386 0.718) 3.529 8.564 ( -2.962 5.411 0.938) 6.239 8.611 ( -1.839 -1.307 -0.540) 2.320 9.194 ( -3.140 -1.509 2.473) 4.272 9.391 ( 8.750 -2.711 -4.105) 10.038 9.907 ( 1.842 -0.725 -1.707) 2.614 9.975 ( 0.877 -9.809 -0.434) 9.858 10.391 ( -3.011 10.054 1.084) 10.551 11.166 ( 3.476 -8.609 -3.115) 9.793 14.445 ( -2.958 8.384 2.109) 9.137 15.041 ( 1.974 -5.850 0.528) 6.197 15.142 ( -0.268 3.404 -2.844) 4.444 15.513 ( -0.536 -5.708 1.181) 5.853 16.326 ( -1.281 3.758 -3.061) 5.014 16.462 ( 0.126 2.061 1.814) 2.748 19.220 ( 0.919 1.305 -0.044) 1.597 19.591 ( 1.914 -8.757 0.196) 8.966 28.602 ( 2.110 -4.181 -0.966) 4.782 28.665 ( 1.499 -6.899 0.331) 7.067 29.684 ( 0.021 6.149 -0.017) 6.149 29.824 ( -2.267 -0.949 -0.720) 2.561 30.018 ( -1.252 2.772 0.270) 3.053 30.189 ( 0.265 1.746 1.963) 2.640 31.890 ( -8.578 23.467 -1.472) 25.029 33.776 ( 8.531 -21.925 -0.319) 23.528 ======================= Grid point 95 (49/90) ======================= q-point: (-0.26 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -0.000 -2.811 -24.029) 24.193 2.314 ( -0.000 -24.709 -22.105) 33.154 3.648 ( 0.000 1.748 8.036) 8.224 3.752 ( -0.000 -6.716 5.449) 8.648 4.252 ( -0.000 -9.883 -15.070) 18.022 4.484 ( -0.000 -7.503 -42.084) 42.748 4.699 ( -0.000 1.684 -5.694) 5.938 5.264 ( -0.000 0.731 -6.218) 6.261 5.373 ( -0.000 -8.101 -6.806) 10.581 6.293 ( 0.000 3.249 3.366) 4.678 6.348 ( 0.000 -1.755 1.558) 2.346 7.298 ( -0.000 2.605 -3.250) 4.165 8.647 ( 0.000 6.323 12.551) 14.053 8.938 ( 0.000 3.672 2.769) 4.599 8.999 ( 0.000 0.920 0.083) 0.924 9.584 ( -0.000 -5.475 -6.176) 8.254 9.957 ( 0.000 5.470 16.331) 17.223 10.405 ( 0.000 4.082 2.656) 4.871 10.428 ( -0.000 1.156 -1.979) 2.292 11.750 ( 0.000 4.468 10.133) 11.074 14.111 ( -0.000 1.718 -3.642) 4.027 15.020 ( -0.000 0.199 -4.438) 4.442 15.169 ( -0.000 -11.431 -2.369) 11.673 15.474 ( 0.000 1.795 12.524) 12.652 16.385 ( 0.000 -0.400 4.174) 4.194 16.390 ( 0.000 -0.398 4.790) 4.807 19.397 ( 0.000 6.345 -0.420) 6.359 19.784 ( -0.000 1.327 -8.437) 8.540 29.000 ( 0.000 4.584 -1.399) 4.793 29.065 ( 0.000 4.398 3.556) 5.655 29.407 ( -0.000 0.597 -2.298) 2.375 29.546 ( -0.000 -10.425 0.641) 10.445 29.948 ( 0.000 -0.532 0.791) 0.953 29.979 ( -0.000 -2.639 0.194) 2.646 31.172 ( 0.000 -5.343 6.698) 8.568 34.781 ( 0.000 12.565 1.088) 12.612 ======================= Grid point 98 (50/90) ======================= q-point: (-0.26 -0.12 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 7.588 25.483 -13.593) 29.862 3.540 ( 11.116 9.128 -5.411) 15.368 3.919 ( 9.594 5.362 3.083) 11.414 4.044 ( -4.209 -0.857 -1.410) 4.521 4.556 ( -2.176 5.541 -4.008) 7.176 4.867 ( 5.109 1.616 -3.076) 6.178 5.164 ( 10.844 4.324 -18.145) 21.576 5.380 ( 1.115 2.708 3.491) 4.557 5.674 ( 1.504 -2.341 -1.921) 3.381 5.745 ( -5.635 -10.177 7.828) 14.021 6.661 ( 1.583 7.038 0.382) 7.224 7.075 ( -1.623 -3.041 -3.825) 5.149 8.514 ( 3.542 1.038 -3.393) 5.013 8.664 ( 0.310 1.305 3.469) 3.719 9.137 ( 1.680 -0.992 -2.649) 3.290 9.442 ( -8.894 -4.829 0.167) 10.122 9.933 ( -4.568 -1.309 -0.329) 4.763 9.958 ( -2.720 -7.093 -1.211) 7.692 10.373 ( 4.399 8.532 -0.697) 9.624 11.242 ( -8.444 -9.053 3.936) 12.990 14.441 ( 6.700 8.219 1.668) 10.734 14.990 ( -2.167 -2.369 -1.610) 3.592 15.287 ( -3.265 1.719 8.177) 8.971 15.527 ( 3.010 -5.068 2.403) 6.365 16.335 ( -4.502 2.976 -1.615) 5.633 16.464 ( 2.381 -0.351 1.306) 2.738 19.151 ( -0.872 1.201 -6.418) 6.588 19.506 ( -1.512 -8.527 -7.592) 11.517 28.643 ( -3.020 -4.096 2.435) 5.641 28.692 ( -1.345 -6.149 3.347) 7.129 29.612 ( 0.321 5.243 -6.483) 8.343 29.820 ( -0.506 -2.000 -1.222) 2.398 30.118 ( 2.558 4.895 9.992) 11.417 30.271 ( 3.722 2.550 9.208) 10.254 31.903 ( 5.454 21.951 -0.451) 22.623 33.682 ( -9.131 -22.260 -9.370) 25.820 ======================= Grid point 99 (51/90) ======================= q-point: (-0.26 -0.12 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( -4.164 4.164 -7.976) 9.914 3.707 ( -0.375 0.375 -2.226) 2.288 3.839 ( -10.902 10.902 -2.353) 15.596 4.144 ( 2.603 -2.603 0.682) 3.744 4.589 ( -8.598 8.598 -8.289) 14.716 4.908 ( 5.531 -5.531 -1.161) 7.908 5.395 ( 2.010 -2.010 2.321) 3.670 5.443 ( 4.606 -4.606 3.791) 7.537 5.514 ( -1.394 1.394 0.343) 2.002 5.621 ( 3.688 -3.688 -0.565) 5.246 6.766 ( -7.267 7.267 -3.570) 10.879 7.024 ( 4.636 -4.636 -3.361) 7.367 8.633 ( -3.120 3.120 -2.961) 5.314 8.665 ( -1.784 1.784 -0.802) 2.648 9.186 ( 1.601 -1.601 0.711) 2.373 9.221 ( 4.249 -4.249 -2.346) 6.451 9.795 ( -0.644 0.644 -2.494) 2.655 9.872 ( 1.917 -1.917 -1.325) 3.017 10.653 ( -7.547 7.547 2.882) 11.055 10.938 ( 5.731 -5.731 -1.165) 8.188 14.684 ( -4.529 4.529 5.102) 8.189 14.861 ( 3.515 -3.515 -2.263) 5.461 15.298 ( -3.300 3.300 7.327) 8.687 15.469 ( 3.866 -3.866 4.346) 6.984 16.321 ( -4.518 4.518 -4.857) 8.026 16.487 ( 2.523 -2.523 -0.954) 3.694 19.194 ( -2.069 2.069 -6.066) 6.735 19.356 ( 5.334 -5.334 -6.941) 10.251 28.563 ( 0.598 -0.598 2.978) 3.096 28.608 ( 2.612 -2.612 3.759) 5.270 29.715 ( -1.526 1.526 -4.934) 5.385 29.745 ( -0.221 0.221 -5.355) 5.365 30.204 ( -3.302 3.302 10.767) 11.736 30.339 ( 2.560 -2.560 12.750) 13.254 32.333 ( -21.000 21.000 -5.430) 30.191 33.215 ( 19.401 -19.401 -7.731) 28.505 ======================= Grid point 103 (52/90) ======================= q-point: (-0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.000 0.000 -30.456) 30.456 1.431 ( -0.000 0.000 -30.456) 30.456 3.150 ( -0.000 0.000 -66.268) 66.268 3.808 ( -0.000 0.000 -12.849) 12.849 3.829 ( 0.000 -0.000 5.649) 5.649 3.829 ( 0.000 -0.000 5.649) 5.649 4.548 ( -0.000 0.000 -12.721) 12.721 5.231 ( 0.000 -0.000 3.649) 3.649 5.231 ( 0.000 -0.000 3.649) 3.649 6.322 ( -0.000 0.000 -2.760) 2.760 6.322 ( -0.000 0.000 -2.760) 2.760 7.246 ( -0.000 0.000 -3.843) 3.843 9.019 ( 0.000 -0.000 0.668) 0.668 9.019 ( 0.000 -0.000 0.668) 0.668 9.082 ( 0.000 -0.000 17.348) 17.348 9.416 ( -0.000 0.000 -4.127) 4.127 10.352 ( -0.000 0.000 -5.527) 5.527 10.352 ( -0.000 0.000 -5.527) 5.527 10.519 ( 0.000 -0.000 21.302) 21.302 11.994 ( 0.000 -0.000 7.639) 7.639 14.106 ( -0.000 0.000 -1.454) 1.454 14.903 ( -0.000 0.000 -6.100) 6.100 14.903 ( -0.000 0.000 -6.100) 6.100 15.834 ( 0.000 -0.000 17.942) 17.942 16.503 ( 0.000 -0.000 6.680) 6.680 16.503 ( 0.000 -0.000 6.680) 6.680 19.493 ( 0.000 -0.000 0.012) 0.012 19.558 ( -0.000 0.000 -13.846) 13.846 28.985 ( -0.000 0.000 -3.459) 3.459 29.239 ( 0.000 -0.000 5.779) 5.779 29.316 ( -0.000 0.000 -6.103) 6.103 29.316 ( -0.000 0.000 -6.103) 6.103 30.008 ( 0.000 -0.000 4.679) 4.679 30.008 ( 0.000 -0.000 4.679) 4.679 31.279 ( 0.000 -0.000 8.041) 8.041 34.983 ( 0.000 -0.000 1.030) 1.030 ======================= Grid point 105 (53/90) ======================= q-point: (-0.13 -0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 18.740 18.740 -16.520) 31.229 2.912 ( 22.642 22.642 -11.965) 34.183 3.734 ( 8.105 8.105 -14.120) 18.187 4.096 ( -2.973 -2.973 -2.001) 4.656 4.326 ( 11.337 11.337 -22.924) 27.974 4.417 ( 3.743 3.743 -6.003) 8.003 4.614 ( 11.238 11.238 -4.369) 16.483 5.545 ( 4.921 4.921 13.915) 15.558 5.584 ( 3.737 3.737 1.353) 5.456 6.030 ( -6.391 -6.391 3.564) 9.716 6.644 ( 3.387 3.387 5.301) 7.144 7.054 ( -4.113 -4.113 -4.036) 7.079 8.418 ( -3.841 -3.841 -4.807) 7.254 8.773 ( -1.755 -1.755 6.173) 6.653 9.105 ( -1.481 -1.481 -1.264) 2.447 9.497 ( -3.662 -3.662 -7.453) 9.076 9.995 ( 1.119 1.119 -2.389) 2.866 10.016 ( -6.483 -6.483 -3.306) 9.745 10.298 ( -2.327 -2.327 -1.855) 3.778 11.558 ( -9.566 -9.566 5.494) 14.601 14.323 ( 8.527 8.527 4.440) 12.850 14.992 ( 1.440 1.440 -1.409) 2.477 15.487 ( 4.430 4.430 2.629) 6.794 15.577 ( -4.272 -4.272 10.849) 12.418 16.407 ( -4.556 -4.556 -3.231) 7.209 16.495 ( -1.432 -1.432 5.136) 5.521 18.985 ( -1.791 -1.791 -11.949) 12.215 19.349 ( -4.357 -4.357 -12.569) 13.998 28.745 ( -2.973 -2.973 1.801) 4.574 28.901 ( -4.926 -4.926 7.957) 10.575 29.413 ( 1.948 1.948 -9.130) 9.537 29.826 ( -3.212 -3.212 -1.845) 4.903 30.339 ( 9.453 9.453 23.569) 27.097 30.380 ( 6.148 6.148 9.976) 13.234 31.715 ( 10.206 10.206 0.844) 14.458 33.681 ( -18.509 -18.509 -21.372) 33.793 ======================= Grid point 106 (54/90) ======================= q-point: (-0.13 -0.12 0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 15.612 15.612 -11.267) 24.787 3.703 ( 5.946 5.946 -2.089) 8.665 3.836 ( -0.883 -0.883 -12.405) 12.468 4.020 ( 3.355 3.355 0.214) 4.750 4.557 ( 0.342 0.342 -20.701) 20.707 4.568 ( 0.914 0.914 -6.507) 6.634 5.131 ( 12.017 12.017 -2.668) 17.202 5.534 ( -6.568 -6.568 0.187) 9.291 5.720 ( 3.061 3.061 18.669) 19.165 5.823 ( -2.548 -2.548 13.036) 13.524 6.750 ( 2.309 2.309 -2.844) 4.330 6.879 ( -3.785 -3.785 -6.188) 8.182 8.458 ( 4.787 4.787 -7.363) 10.002 8.682 ( -3.988 -3.988 -3.283) 6.525 9.094 ( 2.365 2.365 -0.154) 3.349 9.290 ( -5.552 -5.552 -0.730) 7.886 9.788 ( -3.115 -3.115 -4.084) 6.007 9.817 ( -4.499 -4.499 -6.214) 8.893 10.590 ( 11.362 11.362 0.769) 16.087 11.096 ( -11.888 -11.888 3.206) 17.115 14.700 ( 8.451 8.451 6.634) 13.670 14.973 ( -3.527 -3.527 5.398) 7.350 15.474 ( 0.393 0.393 4.765) 4.798 15.554 ( -1.421 -1.421 5.668) 6.014 16.291 ( 0.304 0.304 -7.405) 7.417 16.391 ( -3.179 -3.179 -0.452) 4.518 19.010 ( 2.406 2.406 -9.806) 10.379 19.159 ( -4.307 -4.307 -10.769) 12.372 28.670 ( -0.326 -0.326 5.295) 5.315 28.726 ( -2.924 -2.924 7.799) 8.828 29.522 ( 3.184 3.184 -9.035) 10.095 29.674 ( -3.784 -3.784 -6.803) 8.655 30.584 ( 2.932 2.932 17.049) 17.546 30.595 ( 2.704 2.704 22.922) 23.238 32.246 ( 14.600 14.600 -8.786) 22.440 32.925 ( -17.130 -17.130 -17.451) 29.856 ======================= Grid point 118 (55/90) ======================= q-point: ( 0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.000 18.037 -0.000) 18.037 1.572 ( 0.000 34.033 -0.000) 34.033 2.583 ( 0.000 53.968 -0.000) 53.968 3.937 ( 0.000 10.579 -0.000) 10.579 4.074 ( -0.000 -3.930 0.000) 3.930 4.190 ( 0.000 7.378 -0.000) 7.378 4.194 ( 0.000 17.066 -0.000) 17.066 5.651 ( 0.000 3.312 -0.000) 3.312 5.775 ( 0.000 11.259 -0.000) 11.259 6.068 ( -0.000 -1.697 0.000) 1.697 7.067 ( -0.000 -3.988 0.000) 3.988 7.765 ( -0.000 -14.791 0.000) 14.791 7.835 ( 0.000 1.936 -0.000) 1.936 9.041 ( 0.000 1.273 -0.000) 1.273 9.052 ( 0.000 0.424 -0.000) 0.424 9.233 ( -0.000 -10.842 0.000) 10.842 9.406 ( 0.000 3.338 -0.000) 3.338 10.205 ( 0.000 0.917 -0.000) 0.917 10.256 ( -0.000 -13.863 0.000) 13.863 11.913 ( -0.000 -11.273 0.000) 11.273 14.347 ( 0.000 11.574 -0.000) 11.574 14.737 ( -0.000 -0.469 0.000) 0.469 15.630 ( 0.000 13.905 -0.000) 13.905 15.961 ( -0.000 -17.349 0.000) 17.349 16.480 ( -0.000 -8.320 0.000) 8.320 16.705 ( 0.000 1.146 -0.000) 1.146 18.541 ( 0.000 5.010 -0.000) 5.010 19.103 ( -0.000 -1.027 0.000) 1.027 28.852 ( -0.000 -1.544 0.000) 1.544 29.107 ( -0.000 -2.061 0.000) 2.061 29.296 ( -0.000 -4.183 0.000) 4.183 30.003 ( -0.000 -6.769 0.000) 6.769 30.201 ( 0.000 3.148 -0.000) 3.148 31.454 ( -0.000 -1.855 0.000) 1.855 31.632 ( 0.000 11.963 -0.000) 11.963 32.830 ( -0.000 -5.859 0.000) 5.859 ======================= Grid point 119 (56/90) ======================= q-point: ( 0.14 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 45.857 10.493 0.000) 47.042 2.341 ( 9.018 26.478 -0.000) 27.971 3.584 ( 1.009 34.196 -0.000) 34.211 3.922 ( -6.075 -0.625 -0.000) 6.107 4.129 ( 2.754 2.499 0.000) 3.719 4.278 ( 4.463 -4.422 0.000) 6.283 4.740 ( 5.298 24.764 -0.000) 25.325 5.778 ( 6.394 3.568 0.000) 7.322 5.968 ( -5.746 -2.067 -0.000) 6.106 6.089 ( 2.882 14.393 -0.000) 14.678 6.920 ( -3.730 -6.825 0.000) 7.777 7.321 ( -7.705 -16.394 0.000) 18.115 7.940 ( 1.611 6.981 -0.000) 7.165 8.927 ( -5.688 -11.383 0.000) 12.725 9.026 ( -1.506 2.191 -0.000) 2.659 9.158 ( 3.456 3.812 -0.000) 5.146 9.583 ( 7.150 -1.250 0.000) 7.258 9.882 ( -5.085 -12.886 0.000) 13.853 10.250 ( 2.121 3.297 -0.000) 3.920 11.573 ( -5.013 -15.245 0.000) 16.049 14.638 ( 3.741 8.971 -0.000) 9.720 14.848 ( 9.167 3.838 0.000) 9.938 15.563 ( -0.190 -19.130 0.000) 19.130 15.933 ( -1.472 16.520 -0.000) 16.585 16.168 ( -9.445 -9.100 -0.000) 13.115 16.705 ( -2.993 -0.298 -0.000) 3.008 18.658 ( 1.046 4.471 -0.000) 4.592 19.020 ( -4.587 -1.255 -0.000) 4.755 28.835 ( 0.374 0.170 0.000) 0.410 29.088 ( 2.512 -1.884 0.000) 3.140 29.175 ( -1.891 -4.900 0.000) 5.253 29.693 ( -8.503 -8.398 -0.000) 11.951 30.484 ( 15.495 3.349 0.000) 15.853 31.455 ( 6.838 -7.706 0.000) 10.302 31.902 ( -1.552 13.761 -0.000) 13.848 32.591 ( -11.424 -2.911 -0.000) 11.789 ======================= Grid point 120 (57/90) ======================= q-point: ( 0.14 -0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 43.552 6.073 0.000) 43.974 3.013 ( 9.412 18.028 -0.000) 20.337 3.524 ( -10.772 -7.891 -0.000) 13.353 3.823 ( -2.535 -28.483 0.000) 28.596 4.275 ( -0.135 17.028 -0.000) 17.029 4.384 ( 3.244 1.310 0.000) 3.499 5.330 ( 3.427 20.354 -0.000) 20.640 5.732 ( -12.440 -2.209 -0.000) 12.635 6.113 ( 13.002 7.948 0.000) 15.239 6.464 ( 3.874 13.664 -0.000) 14.202 6.585 ( -7.876 -13.190 0.000) 15.362 6.845 ( -10.663 -8.872 -0.000) 13.872 8.195 ( 4.487 10.394 -0.000) 11.322 8.548 ( -9.337 -8.599 -0.000) 12.693 9.124 ( 4.539 4.833 -0.000) 6.630 9.355 ( 4.737 6.381 -0.000) 7.947 9.414 ( -5.872 -10.550 0.000) 12.074 9.600 ( -4.788 -6.167 0.000) 7.807 10.566 ( 13.415 8.981 0.000) 16.144 11.085 ( -8.316 -16.620 0.000) 18.584 14.874 ( 10.612 1.230 0.000) 10.683 15.175 ( -0.176 -16.444 0.000) 16.445 15.258 ( 10.870 11.711 -0.000) 15.978 15.736 ( -12.028 -9.830 -0.000) 15.534 16.260 ( 0.075 15.141 -0.000) 15.141 16.548 ( -9.998 -1.178 -0.000) 10.068 18.770 ( 0.945 4.284 -0.000) 4.387 18.888 ( -4.998 -1.089 -0.000) 5.116 28.888 ( 2.353 2.160 0.000) 3.194 29.016 ( -2.705 -4.396 0.000) 5.162 29.163 ( 5.272 1.005 0.000) 5.367 29.368 ( -5.141 -7.784 0.000) 9.328 30.925 ( 19.983 1.434 0.000) 20.034 31.316 ( 4.268 -17.658 0.000) 18.167 32.125 ( -4.943 13.843 -0.000) 14.699 32.315 ( -14.784 4.291 -0.000) 15.394 ======================= Grid point 125 (58/90) ======================= q-point: ( 0.28 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.000 13.345 17.171) 21.747 2.504 ( 0.000 24.517 21.751) 32.775 3.769 ( 0.000 36.100 16.146) 39.546 4.031 ( -0.000 4.164 -5.355) 6.784 4.072 ( 0.000 -5.743 8.583) 10.327 4.259 ( -0.000 -3.613 2.438) 4.359 4.692 ( 0.000 24.827 0.920) 24.844 5.690 ( -0.000 6.513 -16.135) 17.400 5.697 ( 0.000 2.958 -1.348) 3.251 6.326 ( 0.000 5.353 9.796) 11.163 6.850 ( -0.000 -2.712 -30.237) 30.359 6.990 ( -0.000 -5.013 2.598) 5.646 8.296 ( 0.000 -3.175 14.450) 14.795 8.970 ( -0.000 -9.830 -0.796) 9.862 9.040 ( -0.000 0.667 -1.872) 1.987 9.277 ( 0.000 -3.530 13.242) 13.704 9.564 ( 0.000 4.582 7.113) 8.461 9.969 ( -0.000 -14.923 2.539) 15.138 10.248 ( 0.000 0.858 1.321) 1.575 11.602 ( -0.000 -14.727 -2.285) 14.904 14.513 ( 0.000 13.323 -8.221) 15.655 14.769 ( 0.000 -0.609 3.932) 3.979 15.565 ( -0.000 -16.104 -0.901) 16.129 15.840 ( -0.000 10.738 -9.139) 14.100 16.301 ( -0.000 -8.001 1.875) 8.217 16.685 ( -0.000 1.620 -4.514) 4.796 18.739 ( 0.000 2.435 8.194) 8.548 19.227 ( 0.000 -1.330 12.659) 12.729 28.844 ( 0.000 -0.631 1.012) 1.193 29.100 ( 0.000 -2.645 3.886) 4.701 29.102 ( -0.000 -4.584 -7.144) 8.489 29.879 ( -0.000 -8.856 4.494) 9.931 30.244 ( 0.000 4.426 -3.605) 5.708 31.035 ( -0.000 7.099 -31.115) 31.914 31.610 ( -0.000 5.422 -9.473) 10.915 33.292 ( 0.000 -8.171 33.981) 34.950 ======================= Grid point 126 (59/90) ======================= q-point: ( 0.28 -0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 36.023 9.557 8.601) 38.249 3.025 ( 6.239 16.317 15.401) 23.288 3.807 ( -5.314 -15.917 4.748) 17.439 3.952 ( -3.942 -12.599 6.269) 14.614 4.233 ( 7.769 1.509 -1.133) 7.995 4.368 ( 0.998 15.799 10.531) 19.013 5.242 ( 1.309 22.568 -3.655) 22.900 5.802 ( -1.707 3.325 -10.142) 10.809 5.855 ( 6.227 6.757 -2.924) 9.643 6.375 ( -5.532 6.254 -4.718) 9.591 6.661 ( -5.121 -9.766 -10.487) 15.218 6.932 ( 0.483 -0.877 2.082) 2.310 8.311 ( -0.328 4.484 11.256) 12.121 8.720 ( -5.123 -6.584 1.149) 8.421 9.073 ( 1.159 2.438 -0.011) 2.699 9.287 ( 1.474 0.760 1.604) 2.307 9.602 ( -2.359 -5.290 7.510) 9.484 9.722 ( 0.231 -4.369 6.609) 7.926 10.333 ( 6.133 4.009 -1.449) 7.469 11.221 ( -4.494 -15.821 0.007) 16.447 14.720 ( 1.187 3.800 -1.613) 4.295 14.946 ( 9.438 7.518 -5.693) 13.342 15.219 ( 1.087 -15.319 3.080) 15.663 15.815 ( -5.207 -8.227 -9.185) 13.385 16.301 ( -1.801 10.259 0.665) 10.438 16.676 ( -4.320 1.406 -3.304) 5.617 18.810 ( 0.574 3.074 5.497) 6.324 19.146 ( -4.850 -0.209 12.670) 13.568 28.812 ( -1.636 0.027 -2.847) 3.284 28.990 ( -2.335 -2.708 -6.161) 7.124 29.126 ( 6.183 -1.399 6.400) 9.008 29.588 ( -4.926 -9.949 7.289) 13.280 30.482 ( 11.027 3.091 -6.519) 13.178 31.087 ( 4.999 -7.179 -15.343) 17.662 31.753 ( -1.285 7.488 -18.889) 20.359 33.124 ( -9.033 2.540 30.064) 31.494 ======================= Grid point 127 (60/90) ======================= q-point: ( 0.28 -0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 15.867 -15.867 3.473) 22.707 3.066 ( 14.208 -14.208 -0.441) 20.098 3.384 ( 3.513 -3.513 14.586) 15.409 3.698 ( -4.687 4.687 13.381) 14.933 4.391 ( 0.727 -0.727 -3.019) 3.189 4.510 ( 1.570 -1.570 10.737) 10.964 5.554 ( -6.631 6.631 -10.058) 13.752 5.764 ( -6.979 6.979 0.005) 9.870 6.157 ( -3.078 3.078 -9.229) 10.204 6.327 ( 1.333 -1.333 -7.128) 7.373 6.407 ( -0.858 0.858 -9.147) 9.227 6.933 ( -2.503 2.503 8.284) 9.008 8.401 ( -0.387 0.387 2.631) 2.687 8.550 ( -3.026 3.026 7.046) 8.244 9.210 ( 0.866 -0.867 0.072) 1.227 9.215 ( 0.124 -0.124 -1.164) 1.177 9.550 ( -0.639 0.639 6.522) 6.585 9.626 ( -0.998 0.998 9.262) 9.369 10.590 ( 6.086 -6.086 -7.156) 11.194 10.870 ( 2.091 -2.091 6.094) 6.774 14.809 ( 2.601 -2.601 -1.160) 3.857 14.992 ( 5.719 -5.719 0.740) 8.121 15.293 ( 1.998 -1.998 -7.543) 8.055 15.530 ( 1.833 -1.833 -3.378) 4.257 16.449 ( -6.412 6.412 -5.626) 10.672 16.601 ( -4.821 4.821 1.185) 6.920 18.861 ( -0.629 0.629 4.107) 4.202 19.075 ( -3.809 3.809 13.180) 14.238 28.796 ( -0.026 0.026 -6.358) 6.359 28.927 ( -1.281 1.281 -4.695) 5.032 29.256 ( 4.219 -4.219 8.297) 10.220 29.348 ( 2.905 -2.905 8.257) 9.223 30.691 ( 4.336 -4.336 -13.713) 15.022 31.013 ( 10.400 -10.400 -3.781) 15.186 31.824 ( -4.914 4.914 -21.443) 22.541 33.052 ( -9.588 9.588 28.284) 31.366 ======================= Grid point 133 (61/90) ======================= q-point: ( 0.41 -0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.000 8.540 18.596) 20.463 3.362 ( 0.000 10.957 20.291) 23.061 3.888 ( -0.000 0.557 -12.549) 12.561 3.927 ( -0.000 -15.611 3.517) 16.002 4.206 ( -0.000 -7.541 3.222) 8.201 4.786 ( 0.000 11.685 26.607) 29.060 5.116 ( 0.000 16.446 -6.554) 17.704 5.561 ( -0.000 9.442 -9.912) 13.690 5.750 ( 0.000 5.494 -1.139) 5.610 6.319 ( -0.000 -1.496 -16.556) 16.624 6.462 ( -0.000 -2.374 -0.782) 2.500 7.045 ( 0.000 1.885 6.221) 6.500 8.440 ( -0.000 -1.169 0.611) 1.319 8.899 ( 0.000 -1.786 7.222) 7.439 9.018 ( -0.000 0.925 -1.659) 1.900 9.305 ( -0.000 -5.301 0.790) 5.360 9.816 ( 0.000 -5.771 5.695) 8.107 9.874 ( 0.000 5.100 11.305) 12.403 10.245 ( -0.000 -2.294 -1.750) 2.885 11.277 ( -0.000 -11.481 0.792) 11.508 14.562 ( -0.000 9.265 -11.360) 14.659 14.867 ( 0.000 -0.598 6.198) 6.227 15.231 ( -0.000 -10.649 -0.642) 10.668 15.688 ( -0.000 -7.423 -5.683) 9.348 16.313 ( 0.000 5.905 -1.703) 6.145 16.592 ( -0.000 1.665 -7.263) 7.451 18.961 ( 0.000 1.657 8.552) 8.711 19.510 ( 0.000 -0.174 14.105) 14.107 28.793 ( -0.000 -1.977 -3.396) 3.930 28.967 ( 0.000 0.904 -0.165) 0.919 29.153 ( 0.000 -2.763 6.425) 6.994 29.790 ( -0.000 -10.191 5.486) 11.574 30.231 ( -0.000 4.597 -6.713) 8.136 30.579 ( -0.000 3.998 -22.632) 22.983 31.477 ( -0.000 -0.446 -8.205) 8.217 33.794 ( 0.000 0.282 22.254) 22.256 ======================= Grid point 134 (62/90) ======================= q-point: ( 0.41 -0.16 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 27.595 5.920 12.300) 30.787 3.223 ( -2.125 -28.755 6.361) 29.527 3.691 ( 3.053 0.594 19.393) 19.641 3.875 ( -2.160 -2.196 -5.790) 6.559 4.148 ( 6.207 -4.272 -8.348) 11.246 4.902 ( 0.848 -0.276 26.135) 26.150 5.366 ( -1.174 7.091 -14.213) 15.927 5.803 ( -0.871 11.339 -5.008) 12.426 5.966 ( 3.299 10.163 -4.547) 11.612 6.161 ( -9.956 1.138 -15.421) 18.391 6.364 ( -0.599 -8.118 -1.992) 8.380 7.119 ( -0.562 3.843 6.666) 7.715 8.424 ( 1.850 -1.914 0.072) 2.663 8.735 ( -6.668 0.069 1.676) 6.876 9.136 ( 4.772 -0.075 0.489) 4.798 9.258 ( 0.531 -1.416 2.799) 3.182 9.773 ( -1.800 4.468 10.110) 11.199 9.907 ( -4.467 0.287 11.204) 12.065 10.263 ( 7.525 -3.527 -6.462) 10.527 11.047 ( -2.591 -5.376 7.206) 9.357 14.715 ( 1.984 2.457 -12.797) 13.181 14.858 ( -0.351 -2.235 3.056) 3.802 15.145 ( 8.237 -2.992 5.580) 10.389 15.449 ( -2.806 -9.515 -6.028) 11.608 16.428 ( -4.091 7.234 -5.979) 10.238 16.623 ( -0.536 1.620 -5.190) 5.463 18.998 ( 0.309 0.961 8.176) 8.238 19.476 ( -4.280 2.598 14.063) 14.927 28.746 ( -3.059 1.441 -2.163) 4.014 28.901 ( -4.421 1.297 -1.640) 4.890 29.264 ( 10.157 -0.692 7.897) 12.884 29.525 ( -1.287 -11.363 7.361) 13.600 30.354 ( 1.875 2.539 -10.571) 11.032 30.634 ( 5.255 -4.223 -14.742) 16.210 31.498 ( 1.520 -0.352 -12.797) 12.892 33.783 ( -7.494 6.845 22.386) 24.580 ======================= Grid point 140 (63/90) ======================= q-point: (-0.46 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 0.000 3.748 10.277) 10.939 3.360 ( -0.000 -26.438 2.176) 26.528 3.591 ( -0.000 -0.662 -12.291) 12.309 3.859 ( -0.000 -7.067 -4.226) 8.234 4.212 ( 0.000 -1.430 19.594) 19.646 5.045 ( -0.000 1.149 -15.093) 15.137 5.348 ( 0.000 -0.376 12.214) 12.220 5.612 ( -0.000 11.020 -10.903) 15.502 5.874 ( -0.000 7.065 -6.333) 9.488 6.042 ( -0.000 -0.090 -3.951) 3.952 6.332 ( -0.000 -5.548 0.063) 5.548 7.236 ( 0.000 4.728 3.227) 5.725 8.369 ( -0.000 -1.259 -1.001) 1.609 8.905 ( -0.000 -5.255 -0.194) 5.259 9.007 ( -0.000 0.974 -1.295) 1.620 9.347 ( 0.000 1.164 7.455) 7.545 10.000 ( 0.000 7.783 8.287) 11.369 10.030 ( -0.000 -6.466 -7.064) 9.576 10.209 ( 0.000 2.172 10.312) 10.538 11.248 ( 0.000 -0.854 8.587) 8.629 14.402 ( -0.000 1.276 -11.812) 11.881 14.986 ( 0.000 -0.367 5.482) 5.495 15.158 ( 0.000 -0.652 3.369) 3.432 15.407 ( -0.000 -12.252 0.188) 12.253 16.370 ( -0.000 5.084 -4.533) 6.811 16.463 ( -0.000 0.986 -7.039) 7.108 19.166 ( 0.000 1.893 7.200) 7.444 19.768 ( 0.000 1.600 7.932) 8.092 28.765 ( 0.000 3.383 0.739) 3.463 29.018 ( 0.000 2.286 0.354) 2.313 29.250 ( 0.000 -2.067 7.379) 7.663 29.667 ( -0.000 -11.391 4.458) 12.233 30.152 ( -0.000 3.239 -8.517) 9.112 30.257 ( -0.000 1.123 -13.023) 13.071 31.262 ( -0.000 -4.799 -5.814) 7.539 34.262 ( 0.000 7.229 14.235) 15.966 ======================= Grid point 141 (64/90) ======================= q-point: (-0.46 -0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 10.241 -10.241 5.040) 15.334 2.789 ( 10.826 -10.826 6.401) 16.595 3.615 ( 1.296 -1.296 -9.875) 10.044 3.743 ( 6.830 -6.830 -10.738) 14.444 4.209 ( 0.788 -0.788 23.389) 23.415 5.054 ( 0.412 -0.412 -19.037) 19.046 5.334 ( 1.844 -1.844 10.633) 10.948 5.817 ( -3.991 3.991 -16.389) 17.334 5.869 ( -1.653 1.653 -12.455) 12.673 6.073 ( -5.270 5.270 1.333) 7.571 6.247 ( 3.032 -3.032 2.818) 5.131 7.293 ( -2.329 2.329 3.220) 4.606 8.378 ( 1.937 -1.937 0.515) 2.788 8.768 ( -6.256 6.256 -1.297) 8.942 9.087 ( 1.728 -1.728 -1.457) 2.845 9.350 ( 4.272 -4.272 9.510) 11.267 9.936 ( 3.727 -3.727 -7.303) 9.007 10.148 ( -4.745 4.745 10.305) 12.297 10.198 ( -1.551 1.551 8.867) 9.134 11.235 ( -1.434 1.434 11.625) 11.800 14.426 ( 0.167 -0.167 -12.437) 12.439 14.980 ( 0.039 -0.039 6.630) 6.630 15.183 ( 7.783 -7.783 6.395) 12.730 15.226 ( -0.479 0.479 -3.118) 3.191 16.400 ( -3.751 3.751 -6.376) 8.294 16.504 ( 0.723 -0.723 -6.758) 6.835 19.190 ( -0.510 0.510 8.163) 8.195 19.778 ( -2.878 2.878 7.626) 8.645 28.832 ( -4.855 4.855 2.313) 7.245 28.947 ( -4.424 4.424 0.904) 6.322 29.403 ( 5.740 -5.740 7.101) 10.786 29.416 ( 6.593 -6.593 5.173) 10.663 30.179 ( -1.997 1.997 -9.791) 10.190 30.290 ( 2.563 -2.563 -11.383) 11.946 31.221 ( 3.550 -3.550 -8.076) 9.510 34.337 ( -6.643 6.643 15.578) 18.191 ======================= Grid point 147 (65/90) ======================= q-point: (-0.32 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -0.000 -0.905 -12.832) 12.864 2.706 ( -0.000 -21.993 -13.368) 25.737 3.500 ( 0.000 1.358 3.754) 3.993 3.623 ( -0.000 -9.139 4.094) 10.014 4.604 ( 0.000 2.113 12.090) 12.273 4.617 ( -0.000 -5.284 -19.033) 19.753 5.203 ( -0.000 -3.838 -20.442) 20.799 5.489 ( -0.000 3.846 -14.170) 14.682 5.600 ( -0.000 -5.214 -13.691) 14.650 6.208 ( 0.000 5.095 4.436) 6.755 6.291 ( 0.000 -2.315 3.309) 4.038 7.344 ( 0.000 2.798 -0.765) 2.901 8.425 ( 0.000 1.089 7.054) 7.138 8.909 ( 0.000 5.850 0.697) 5.892 9.007 ( 0.000 1.051 -0.797) 1.319 9.568 ( 0.000 -3.578 17.406) 17.769 9.727 ( -0.000 -5.781 -7.264) 9.284 10.338 ( 0.000 7.163 5.034) 8.755 10.406 ( 0.000 1.158 4.324) 4.476 11.514 ( 0.000 2.974 11.933) 12.298 14.220 ( -0.000 1.446 -7.055) 7.201 15.058 ( 0.000 -0.022 1.146) 1.146 15.187 ( -0.000 -10.471 1.221) 10.542 15.272 ( 0.000 1.346 6.350) 6.491 16.356 ( -0.000 1.066 -1.883) 2.164 16.365 ( -0.000 0.094 -2.576) 2.578 19.345 ( 0.000 2.488 5.114) 5.687 19.886 ( 0.000 1.945 -0.795) 2.101 28.947 ( 0.000 7.052 3.882) 8.050 29.064 ( 0.000 2.797 -0.966) 2.960 29.365 ( 0.000 -0.675 5.660) 5.700 29.511 ( -0.000 -10.415 3.384) 10.951 30.023 ( -0.000 1.059 -7.274) 7.350 30.051 ( -0.000 -1.143 -7.018) 7.110 31.085 ( -0.000 -5.043 0.479) 5.066 34.678 ( 0.000 8.236 8.677) 11.964 ======================= Grid point 151 (66/90) ======================= q-point: ( 0.68 -0.18 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( -7.345 7.345 6.020) 12.006 3.764 ( -3.129 3.129 -2.516) 5.090 3.919 ( -7.074 7.074 -3.982) 10.768 4.099 ( -0.261 0.261 2.563) 2.589 4.695 ( -4.851 4.851 -1.759) 7.082 4.897 ( 2.883 -2.883 1.187) 4.246 5.271 ( 0.157 -0.157 2.247) 2.258 5.404 ( 7.095 -7.095 -1.759) 10.187 5.575 ( -2.152 2.152 2.642) 4.031 5.669 ( 1.860 -1.860 -0.976) 2.806 6.817 ( -6.896 6.896 -1.009) 9.805 7.052 ( 4.093 -4.093 0.784) 5.842 8.645 ( -4.057 4.057 2.209) 6.148 8.682 ( -3.208 3.208 -1.956) 4.940 9.155 ( 0.887 -0.887 1.998) 2.359 9.275 ( 6.792 -6.792 -2.330) 9.884 9.834 ( 1.549 -1.549 -1.206) 2.500 9.879 ( 2.504 -2.504 -0.052) 3.541 10.607 ( -8.769 8.769 1.571) 12.500 10.973 ( 8.149 -8.149 -2.132) 11.720 14.622 ( -7.030 7.030 1.316) 10.029 14.904 ( 5.965 -5.965 -0.651) 8.460 15.222 ( -3.472 3.472 -1.419) 5.111 15.399 ( 4.302 -4.302 1.219) 6.205 16.404 ( -2.893 2.893 -2.289) 4.688 16.478 ( 0.423 -0.423 1.667) 1.771 19.261 ( -2.194 2.194 0.038) 3.102 19.430 ( 5.420 -5.420 0.095) 7.666 28.539 ( 1.555 -1.555 -0.740) 2.320 28.563 ( 2.546 -2.546 0.537) 3.640 29.765 ( -1.704 1.704 0.551) 2.472 29.812 ( 0.248 -0.248 -0.773) 0.849 30.089 ( -3.127 3.127 -0.352) 4.436 30.189 ( 1.232 -1.232 1.115) 2.068 32.401 ( -20.952 20.952 -1.035) 29.649 33.292 ( 20.182 -20.182 0.364) 28.544 ======================= Grid point 154 (67/90) ======================= q-point: (-0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -0.000 0.000 -24.808) 24.808 2.020 ( -0.000 0.000 -24.808) 24.808 3.675 ( 0.000 -0.000 8.456) 8.456 3.675 ( 0.000 -0.000 8.456) 8.456 4.135 ( -0.000 0.000 -17.857) 17.857 4.390 ( -0.000 0.000 -49.319) 49.319 4.735 ( -0.000 0.000 -3.117) 3.117 5.273 ( -0.000 0.000 -7.639) 7.639 5.273 ( -0.000 0.000 -7.639) 7.639 6.329 ( 0.000 -0.000 1.739) 1.739 6.329 ( 0.000 -0.000 1.739) 1.739 7.326 ( -0.000 0.000 -3.385) 3.385 8.705 ( 0.000 -0.000 16.704) 16.704 9.012 ( -0.000 0.000 -0.003) 0.003 9.012 ( -0.000 0.000 -0.003) 0.003 9.523 ( -0.000 0.000 -5.837) 5.837 10.011 ( 0.000 -0.000 25.563) 25.563 10.440 ( -0.000 0.000 -2.043) 2.043 10.440 ( -0.000 0.000 -2.043) 2.043 11.798 ( 0.000 -0.000 10.692) 10.692 14.149 ( -0.000 0.000 -2.900) 2.900 15.022 ( -0.000 0.000 -4.358) 4.358 15.022 ( -0.000 0.000 -4.358) 4.358 15.495 ( 0.000 -0.000 13.276) 13.276 16.381 ( 0.000 -0.000 3.988) 3.988 16.381 ( 0.000 -0.000 3.988) 3.988 19.467 ( 0.000 -0.000 2.727) 2.727 19.805 ( -0.000 0.000 -8.786) 8.786 29.064 ( -0.000 0.000 -3.700) 3.700 29.121 ( 0.000 -0.000 5.007) 5.007 29.413 ( -0.000 0.000 -1.665) 1.665 29.413 ( -0.000 0.000 -1.665) 1.665 29.943 ( 0.000 -0.000 0.016) 0.016 29.943 ( 0.000 -0.000 0.016) 0.016 31.111 ( 0.000 -0.000 6.952) 6.952 34.927 ( 0.000 -0.000 4.627) 4.627 ======================= Grid point 157 (68/90) ======================= q-point: (-0.19 -0.19 0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 12.564 12.564 -10.532) 20.654 3.754 ( 4.655 4.655 -2.362) 6.994 3.988 ( 4.089 4.089 2.492) 6.298 4.027 ( -0.991 -0.991 -5.435) 5.612 4.677 ( 4.016 4.016 -3.221) 6.529 4.846 ( -2.536 -2.536 -5.404) 6.486 5.278 ( 5.853 5.853 -5.143) 9.745 5.448 ( 4.111 4.111 1.364) 5.971 5.511 ( -7.408 -7.408 5.995) 12.070 5.647 ( -3.147 -3.147 -0.156) 4.454 6.807 ( 5.258 5.258 -1.874) 7.668 6.995 ( -3.635 -3.635 -4.422) 6.781 8.578 ( 4.937 4.937 -4.215) 8.156 8.712 ( 0.705 0.705 0.396) 1.073 9.114 ( 0.368 0.368 -1.638) 1.719 9.302 ( -7.429 -7.429 0.080) 10.506 9.840 ( -2.403 -2.403 -0.852) 3.503 9.881 ( -3.508 -3.508 -0.477) 4.983 10.585 ( 10.028 10.028 -0.442) 14.189 11.028 ( -10.299 -10.299 2.994) 14.870 14.620 ( 7.913 7.913 1.362) 11.273 14.906 ( -5.088 -5.088 0.919) 7.255 15.334 ( 1.483 1.483 7.381) 7.673 15.436 ( -2.443 -2.443 4.403) 5.597 16.402 ( 0.587 0.587 -2.688) 2.813 16.429 ( -0.429 -0.429 -2.567) 2.638 19.190 ( 2.240 2.240 -6.400) 7.141 19.353 ( -5.037 -5.037 -6.906) 9.921 28.585 ( -1.746 -1.746 2.628) 3.606 28.595 ( -2.259 -2.259 4.489) 5.510 29.689 ( 2.390 2.390 -6.241) 7.097 29.783 ( -1.810 -1.810 -3.363) 4.226 30.221 ( 3.479 3.479 12.062) 13.026 30.290 ( 0.315 0.315 10.029) 10.039 32.376 ( 18.707 18.707 -3.555) 26.693 33.199 ( -19.519 -19.519 -8.552) 28.898 ======================= Grid point 176 (69/90) ======================= q-point: ( 0.21 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 16.116 -0.000) 16.116 2.241 ( 0.000 28.817 -0.000) 28.817 3.572 ( 0.000 36.282 -0.000) 36.282 3.992 ( -0.000 -1.690 0.000) 1.690 4.087 ( 0.000 5.005 -0.000) 5.005 4.234 ( -0.000 -5.675 0.000) 5.675 4.682 ( 0.000 26.675 -0.000) 26.675 5.710 ( 0.000 2.856 -0.000) 2.856 6.032 ( -0.000 -1.638 0.000) 1.638 6.056 ( 0.000 14.716 -0.000) 14.716 6.962 ( -0.000 -5.725 0.000) 5.725 7.407 ( -0.000 -18.148 0.000) 18.148 7.924 ( 0.000 6.752 -0.000) 6.752 8.990 ( -0.000 -11.510 0.000) 11.510 9.065 ( 0.000 0.816 -0.000) 0.816 9.101 ( 0.000 4.463 -0.000) 4.463 9.480 ( 0.000 3.408 -0.000) 3.408 9.941 ( -0.000 -15.224 0.000) 15.224 10.234 ( 0.000 1.900 -0.000) 1.900 11.627 ( -0.000 -15.513 0.000) 15.513 14.618 ( 0.000 13.532 -0.000) 13.532 14.725 ( -0.000 -0.607 0.000) 0.607 15.564 ( -0.000 -19.284 0.000) 19.284 15.955 ( 0.000 16.214 -0.000) 16.214 16.273 ( -0.000 -11.125 0.000) 11.125 16.734 ( 0.000 1.602 -0.000) 1.602 18.646 ( 0.000 4.879 -0.000) 4.879 19.076 ( -0.000 -1.496 0.000) 1.496 28.832 ( -0.000 -0.235 0.000) 0.235 29.058 ( -0.000 -2.549 0.000) 2.549 29.195 ( -0.000 -5.050 0.000) 5.050 29.817 ( -0.000 -10.618 0.000) 10.618 30.283 ( 0.000 4.542 -0.000) 4.542 31.377 ( -0.000 -5.899 0.000) 5.899 31.919 ( 0.000 14.642 -0.000) 14.642 32.718 ( -0.000 -4.069 0.000) 4.069 ======================= Grid point 177 (70/90) ======================= q-point: ( 0.21 -0.21 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 40.547 9.696 0.000) 41.690 2.848 ( 5.715 21.239 -0.000) 21.994 3.715 ( -6.481 -5.929 -0.000) 8.784 3.868 ( -1.593 -27.092 0.000) 27.139 4.254 ( 6.718 2.595 0.000) 7.202 4.286 ( -0.701 18.290 -0.000) 18.303 5.281 ( 1.335 25.334 -0.000) 25.369 5.886 ( 7.895 6.618 0.000) 10.302 5.936 ( -6.438 -0.793 -0.000) 6.487 6.398 ( 2.335 14.008 -0.000) 14.202 6.745 ( -6.807 -9.795 0.000) 11.928 7.006 ( -4.341 -11.936 0.000) 12.701 8.132 ( 1.773 10.453 -0.000) 10.602 8.709 ( -5.521 -8.718 0.000) 10.320 9.080 ( 0.030 2.829 -0.000) 2.829 9.268 ( 3.404 6.434 -0.000) 7.279 9.511 ( -3.070 -6.840 0.000) 7.497 9.648 ( 0.149 -6.889 0.000) 6.891 10.349 ( 6.418 5.339 0.000) 8.349 11.222 ( -4.437 -17.556 0.000) 18.107 14.728 ( 3.096 0.960 0.000) 3.242 15.027 ( 9.888 11.305 -0.000) 15.019 15.177 ( -0.007 -16.596 0.000) 16.596 15.940 ( -6.819 -12.221 0.000) 13.994 16.278 ( -1.238 15.515 -0.000) 15.564 16.713 ( -5.398 0.997 -0.000) 5.489 18.754 ( 0.513 4.689 -0.000) 4.717 18.992 ( -4.217 -1.353 -0.000) 4.429 28.853 ( 1.055 1.383 -0.000) 1.740 29.039 ( 2.100 -3.090 0.000) 3.736 29.085 ( 0.260 -2.878 0.000) 2.890 29.488 ( -5.705 -10.733 0.000) 12.155 30.554 ( 14.077 3.385 0.000) 14.478 31.232 ( 3.149 -12.878 0.000) 13.258 32.205 ( -2.586 14.295 -0.000) 14.527 32.576 ( -9.022 1.221 -0.000) 9.104 ======================= Grid point 178 (71/90) ======================= q-point: ( 0.21 -0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( -4.588 -40.412 0.000) 40.672 3.042 ( 40.412 4.588 0.000) 40.672 3.362 ( -8.616 -3.213 0.000) 9.196 3.362 ( 3.213 8.616 0.000) 9.196 4.422 ( -1.735 -1.481 0.000) 2.281 4.422 ( 1.481 1.735 0.000) 2.281 5.717 ( -13.817 1.963 -0.000) 13.955 5.717 ( -1.963 13.817 -0.000) 13.955 6.300 ( -9.128 -12.139 0.000) 15.188 6.300 ( 12.139 9.128 0.000) 15.188 6.714 ( -5.653 -0.492 0.000) 5.675 6.714 ( 0.492 5.653 0.000) 5.675 8.410 ( -8.299 -3.318 -0.000) 8.938 8.410 ( 3.318 8.299 -0.000) 8.938 9.230 ( -5.103 -6.315 0.000) 8.119 9.230 ( 6.315 5.103 0.000) 8.119 9.490 ( -5.354 -3.975 -0.000) 6.668 9.490 ( 3.975 5.354 -0.000) 6.668 10.736 ( -5.344 -14.072 0.000) 15.053 10.736 ( 14.072 5.344 0.000) 15.053 14.884 ( 1.571 -9.001 0.000) 9.137 14.884 ( 9.001 -1.571 0.000) 9.137 15.497 ( -8.421 -10.447 0.000) 13.418 15.497 ( 10.447 8.421 0.000) 13.418 16.548 ( -10.743 1.838 0.000) 10.899 16.548 ( -1.838 10.743 0.000) 10.899 18.869 ( -3.412 0.720 0.000) 3.487 18.869 ( -0.720 3.412 0.000) 3.487 28.936 ( -0.668 -1.636 0.000) 1.767 28.936 ( 1.636 0.668 0.000) 1.767 29.198 ( -1.060 -6.757 0.000) 6.839 29.198 ( 6.757 1.060 0.000) 6.839 30.938 ( 2.454 -14.513 0.000) 14.719 30.938 ( 14.513 -2.454 0.000) 14.719 32.411 ( -8.908 7.850 0.000) 11.874 32.411 ( -7.850 8.908 0.000) 11.874 ======================= Grid point 184 (72/90) ======================= q-point: ( 0.35 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 11.596 13.656) 17.915 2.958 ( 0.000 17.913 15.359) 23.596 3.858 ( -0.000 -20.702 3.191) 20.947 4.039 ( 0.000 -8.422 13.526) 15.934 4.099 ( -0.000 2.340 -6.897) 7.284 4.364 ( 0.000 16.815 8.932) 19.040 5.229 ( 0.000 24.915 -3.721) 25.191 5.783 ( 0.000 5.432 -1.448) 5.622 5.813 ( -0.000 5.338 -13.058) 14.107 6.444 ( 0.000 4.392 3.046) 5.345 6.739 ( -0.000 -6.278 -21.551) 22.447 6.903 ( 0.000 -2.271 6.170) 6.575 8.316 ( 0.000 3.550 11.691) 12.218 8.785 ( -0.000 -6.932 2.461) 7.356 9.060 ( -0.000 1.290 -2.136) 2.496 9.262 ( 0.000 1.636 2.737) 3.189 9.646 ( 0.000 3.025 9.040) 9.533 9.693 ( -0.000 -10.381 4.972) 11.510 10.275 ( 0.000 1.649 -1.038) 1.949 11.269 ( -0.000 -16.174 0.072) 16.174 14.755 ( 0.000 -0.627 3.940) 3.989 14.791 ( 0.000 12.431 -9.210) 15.471 15.210 ( -0.000 -15.940 2.106) 16.078 15.873 ( -0.000 -8.444 -10.213) 13.252 16.322 ( 0.000 9.949 1.005) 10.000 16.722 ( -0.000 1.786 -4.520) 4.860 18.804 ( 0.000 3.217 5.448) 6.327 19.202 ( 0.000 -0.757 13.219) 13.241 28.841 ( -0.000 0.152 -0.580) 0.600 29.019 ( -0.000 -2.873 -4.765) 5.564 29.043 ( 0.000 -2.621 3.718) 4.549 29.653 ( -0.000 -12.164 6.747) 13.910 30.347 ( 0.000 5.131 -3.902) 6.446 31.033 ( -0.000 -6.031 -16.269) 17.351 31.769 ( -0.000 8.850 -21.492) 23.242 33.223 ( 0.000 0.952 30.896) 30.910 ======================= Grid point 185 (73/90) ======================= q-point: ( 0.35 -0.22 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 33.749 7.046 7.891) 35.368 3.138 ( -2.195 -31.744 0.939) 31.833 3.312 ( 2.588 1.534 12.373) 12.734 3.851 ( -7.513 0.272 13.435) 15.396 4.268 ( 8.929 1.338 -3.064) 9.534 4.492 ( -0.267 -3.229 7.008) 7.721 5.645 ( -3.379 13.938 -10.570) 17.816 5.881 ( -2.941 4.333 -3.415) 6.252 6.047 ( 7.672 11.221 -2.072) 13.750 6.442 ( -3.342 -4.830 -5.865) 8.300 6.491 ( -9.423 -0.528 -13.139) 16.178 6.952 ( 1.122 2.080 8.385) 8.712 8.394 ( 0.294 2.597 2.590) 3.679 8.644 ( -4.426 -0.318 5.709) 7.230 9.129 ( 2.868 2.695 -0.716) 4.000 9.268 ( -1.440 -3.429 -2.835) 4.676 9.557 ( -1.036 2.650 9.546) 9.961 9.681 ( -1.968 -0.768 9.196) 9.435 10.395 ( 8.335 0.795 -5.392) 9.959 10.913 ( -2.879 -12.008 5.197) 13.398 14.750 ( 1.598 0.143 1.901) 2.487 14.932 ( 1.049 -9.818 2.047) 10.084 15.135 ( 8.850 7.044 -8.588) 14.202 15.594 ( -4.062 -10.738 -6.228) 13.061 16.534 ( -2.230 10.133 -3.591) 10.980 16.710 ( -4.302 1.702 -2.837) 5.427 18.864 ( 0.129 1.770 3.552) 3.970 19.161 ( -3.610 1.711 14.254) 14.803 28.814 ( -1.725 0.281 -4.008) 4.372 28.961 ( -1.558 -0.167 -3.611) 3.936 29.102 ( 7.660 -1.016 6.772) 10.274 29.360 ( -1.749 -10.887 7.614) 13.400 30.548 ( 7.656 2.913 -7.054) 10.810 30.872 ( 3.018 -11.463 -6.947) 13.739 31.913 ( -3.104 6.873 -26.135) 27.201 33.227 ( -6.283 6.229 29.558) 30.853 ======================= Grid point 191 (74/90) ======================= q-point: ( 0.48 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 0.000 6.514 15.896) 17.179 3.244 ( -0.000 -27.216 6.376) 27.952 3.661 ( 0.000 -0.488 21.072) 21.078 3.890 ( -0.000 -0.218 -14.053) 14.055 4.076 ( -0.000 -5.553 -4.114) 6.911 4.893 ( 0.000 -0.614 26.592) 26.599 5.379 ( -0.000 8.571 -16.066) 18.210 5.817 ( 0.000 13.700 -8.063) 15.896 5.909 ( 0.000 8.432 0.218) 8.435 6.293 ( -0.000 -0.802 -16.068) 16.088 6.365 ( -0.000 -5.626 -3.238) 6.492 7.121 ( 0.000 4.217 7.659) 8.743 8.400 ( -0.000 -1.828 -1.244) 2.211 8.852 ( 0.000 -2.068 5.820) 6.177 9.043 ( -0.000 1.459 -2.127) 2.579 9.253 ( -0.000 -1.757 1.257) 2.161 9.801 ( 0.000 4.070 10.238) 11.017 9.951 ( 0.000 2.210 13.131) 13.316 10.179 ( -0.000 -4.133 -6.629) 7.812 11.078 ( 0.000 -6.834 7.316) 10.011 14.701 ( -0.000 3.287 -15.541) 15.884 14.855 ( 0.000 -0.479 6.252) 6.270 15.052 ( 0.000 -5.672 5.942) 8.215 15.482 ( -0.000 -9.956 -6.568) 11.927 16.476 ( 0.000 7.828 -4.851) 9.210 16.625 ( -0.000 1.425 -7.527) 7.660 18.995 ( 0.000 1.148 8.175) 8.255 19.526 ( 0.000 1.681 14.353) 14.451 28.785 ( -0.000 1.469 -2.479) 2.881 28.996 ( 0.000 1.550 1.296) 2.021 29.100 ( 0.000 -2.208 6.368) 6.740 29.541 ( -0.000 -12.830 7.098) 14.662 30.326 ( -0.000 4.150 -7.448) 8.526 30.575 ( -0.000 -3.581 -15.496) 15.905 31.486 ( -0.000 1.415 -15.855) 15.918 33.866 ( 0.000 5.405 23.102) 23.726 ======================= Grid point 192 (75/90) ======================= q-point: (-0.52 -0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 11.779 -11.779 11.131) 20.035 2.581 ( 11.886 -11.886 10.987) 20.082 3.690 ( 0.990 -0.990 22.083) 22.127 3.869 ( -0.908 0.907 -11.575) 11.646 4.030 ( 6.029 -6.029 -13.252) 15.758 4.865 ( 1.749 -1.749 29.304) 29.408 5.474 ( -3.464 3.464 -19.544) 20.149 5.971 ( -4.031 4.031 0.655) 5.738 6.130 ( 0.805 -0.805 -7.049) 7.140 6.213 ( -5.211 5.211 -11.664) 13.797 6.253 ( -1.331 1.331 -8.660) 8.862 7.177 ( -1.475 1.475 7.764) 8.040 8.389 ( 1.413 -1.413 -1.069) 2.267 8.780 ( -4.258 4.258 1.305) 6.161 9.128 ( 1.392 -1.392 -2.505) 3.186 9.202 ( 2.954 -2.954 4.398) 6.066 9.895 ( -4.089 4.089 12.909) 14.145 9.925 ( -2.590 2.590 10.742) 11.349 10.153 ( 5.748 -5.748 -7.424) 11.009 10.992 ( 0.657 -0.657 11.251) 11.289 14.723 ( 0.110 -0.110 -13.312) 13.312 14.839 ( -0.169 0.169 6.045) 6.050 15.051 ( 6.678 -6.678 3.684) 10.138 15.332 ( 1.226 -1.226 -6.069) 6.312 16.556 ( -4.581 4.581 -7.586) 9.976 16.648 ( -0.589 0.589 -6.231) 6.286 19.008 ( -0.047 0.047 8.229) 8.229 19.538 ( -2.711 2.711 14.396) 14.897 28.807 ( -3.890 3.890 -0.051) 5.502 28.938 ( -2.451 2.451 -0.351) 3.483 29.233 ( 5.354 -5.354 8.553) 11.423 29.298 ( 6.373 -6.373 5.846) 10.743 30.395 ( -1.067 1.067 -10.050) 10.163 30.524 ( 4.606 -4.606 -9.686) 11.672 31.510 ( -0.959 0.959 -19.394) 19.441 33.921 ( -5.270 5.270 23.605) 24.753 ======================= Grid point 198 (76/90) ======================= q-point: (-0.38 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 0.000 1.932 7.162) 7.418 2.799 ( -0.000 -22.706 4.602) 23.168 3.582 ( -0.000 -0.200 -11.366) 11.368 3.679 ( -0.000 -8.224 -9.707) 12.722 4.200 ( 0.000 -0.233 24.008) 24.009 5.048 ( -0.000 -0.414 -21.472) 21.476 5.313 ( 0.000 -1.806 10.481) 10.635 5.817 ( -0.000 7.445 -15.352) 17.062 5.927 ( -0.000 -1.664 -16.834) 16.916 6.118 ( 0.000 6.026 3.553) 6.996 6.231 ( -0.000 -3.574 1.645) 3.934 7.318 ( 0.000 2.687 3.498) 4.411 8.352 ( -0.000 -0.854 0.556) 1.019 8.898 ( 0.000 5.041 0.601) 5.076 9.032 ( -0.000 1.241 -1.650) 2.065 9.286 ( 0.000 -6.671 8.936) 11.152 9.891 ( -0.000 -5.619 -8.148) 9.898 10.175 ( 0.000 7.118 10.199) 12.437 10.245 ( 0.000 1.052 10.488) 10.540 11.253 ( 0.000 0.790 12.577) 12.602 14.426 ( -0.000 1.394 -12.631) 12.708 14.980 ( 0.000 -0.204 5.641) 5.645 15.084 ( 0.000 -7.667 7.033) 10.404 15.241 ( -0.000 -1.571 -2.295) 2.781 16.456 ( -0.000 2.846 -6.830) 7.400 16.480 ( -0.000 0.576 -7.565) 7.587 19.194 ( 0.000 0.725 8.608) 8.639 19.812 ( 0.000 2.142 7.705) 7.997 28.882 ( 0.000 7.323 2.077) 7.612 29.061 ( 0.000 1.831 1.184) 2.180 29.215 ( 0.000 -1.170 7.695) 7.783 29.407 ( -0.000 -12.519 6.077) 13.916 30.209 ( -0.000 1.966 -9.454) 9.657 30.249 ( -0.000 -1.280 -10.859) 10.935 31.184 ( -0.000 -2.347 -10.271) 10.535 34.412 ( 0.000 5.856 16.502) 17.511 ======================= Grid point 205 (77/90) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -0.000 0.000 -14.131) 14.131 2.449 ( -0.000 0.000 -14.131) 14.131 3.517 ( 0.000 -0.000 4.525) 4.525 3.517 ( 0.000 -0.000 4.525) 4.525 4.555 ( -0.000 0.000 -21.635) 21.635 4.626 ( 0.000 -0.000 13.723) 13.723 5.167 ( -0.000 0.000 -22.362) 22.362 5.532 ( -0.000 0.000 -15.939) 15.939 5.532 ( -0.000 0.000 -15.939) 15.939 6.266 ( 0.000 -0.000 3.765) 3.765 6.266 ( 0.000 -0.000 3.765) 3.765 7.374 ( -0.000 0.000 -0.795) 0.795 8.431 ( 0.000 -0.000 8.505) 8.505 9.021 ( -0.000 0.000 -0.861) 0.861 9.021 ( -0.000 0.000 -0.861) 0.861 9.492 ( 0.000 -0.000 21.998) 21.998 9.661 ( -0.000 0.000 -7.214) 7.214 10.418 ( 0.000 -0.000 4.384) 4.384 10.418 ( 0.000 -0.000 4.384) 4.384 11.547 ( 0.000 -0.000 12.825) 12.825 14.245 ( -0.000 0.000 -6.667) 6.667 15.058 ( 0.000 -0.000 1.270) 1.270 15.058 ( 0.000 -0.000 1.270) 1.270 15.290 ( 0.000 -0.000 5.998) 5.998 16.366 ( -0.000 0.000 -2.860) 2.860 16.366 ( -0.000 0.000 -2.860) 2.860 19.370 ( 0.000 -0.000 6.458) 6.458 19.911 ( -0.000 0.000 -0.892) 0.892 29.038 ( 0.000 -0.000 2.732) 2.732 29.122 ( -0.000 0.000 -1.272) 1.272 29.358 ( 0.000 -0.000 6.109) 6.109 29.358 ( 0.000 -0.000 6.109) 6.109 30.035 ( -0.000 0.000 -7.909) 7.909 30.035 ( -0.000 0.000 -7.909) 7.909 31.030 ( -0.000 0.000 -0.393) 0.393 34.771 ( 0.000 -0.000 10.368) 10.368 ======================= Grid point 235 (78/90) ======================= q-point: ( 0.29 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.000 13.210 -0.000) 13.210 2.786 ( 0.000 22.523 -0.000) 22.523 3.785 ( -0.000 -5.076 0.000) 5.076 3.886 ( -0.000 -26.995 0.000) 26.995 4.172 ( 0.000 3.170 -0.000) 3.170 4.295 ( 0.000 18.376 -0.000) 18.376 5.268 ( 0.000 27.849 -0.000) 27.849 5.799 ( 0.000 5.458 -0.000) 5.458 6.003 ( -0.000 -1.016 0.000) 1.016 6.371 ( 0.000 14.303 -0.000) 14.303 6.831 ( -0.000 -6.494 0.000) 6.494 7.043 ( -0.000 -14.904 0.000) 14.904 8.113 ( 0.000 10.518 -0.000) 10.518 8.770 ( -0.000 -8.765 0.000) 8.765 9.089 ( 0.000 1.553 -0.000) 1.553 9.225 ( 0.000 7.016 -0.000) 7.016 9.540 ( 0.000 2.121 -0.000) 2.121 9.637 ( -0.000 -12.995 0.000) 12.995 10.287 ( 0.000 3.061 -0.000) 3.061 11.269 ( -0.000 -17.858 0.000) 17.858 14.712 ( -0.000 -0.639 0.000) 0.639 14.902 ( 0.000 12.887 -0.000) 12.887 15.177 ( -0.000 -16.634 0.000) 16.634 16.014 ( -0.000 -13.168 0.000) 13.168 16.294 ( 0.000 15.273 -0.000) 15.273 16.771 ( 0.000 1.789 -0.000) 1.789 18.748 ( 0.000 4.844 -0.000) 4.844 19.041 ( -0.000 -1.703 0.000) 1.703 28.842 ( 0.000 1.086 -0.000) 1.086 29.003 ( -0.000 -2.527 0.000) 2.527 29.093 ( -0.000 -4.344 0.000) 4.344 29.563 ( -0.000 -13.016 0.000) 13.016 30.389 ( 0.000 5.303 -0.000) 5.303 31.196 ( -0.000 -10.884 0.000) 10.884 32.232 ( 0.000 14.484 -0.000) 14.484 32.674 ( -0.000 -0.010 0.000) 0.010 ======================= Grid point 236 (79/90) ======================= q-point: ( 0.29 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 36.863 7.332 0.000) 37.585 3.121 ( -2.559 -37.230 0.000) 37.318 3.242 ( 3.989 12.162 -0.000) 12.800 3.582 ( -7.397 -5.895 -0.000) 9.458 4.307 ( 6.594 2.179 0.000) 6.945 4.458 ( -1.325 -1.030 -0.000) 1.678 5.759 ( -3.282 17.499 -0.000) 17.804 5.936 ( -5.719 0.728 -0.000) 5.765 6.058 ( 9.856 10.736 -0.000) 14.574 6.530 ( -11.263 -9.393 -0.000) 14.666 6.651 ( 1.977 9.208 -0.000) 9.418 6.833 ( -1.652 -5.054 0.000) 5.318 8.352 ( 1.496 9.674 -0.000) 9.790 8.572 ( -5.507 -4.224 -0.000) 6.940 9.147 ( 1.742 3.595 -0.000) 3.995 9.339 ( -4.921 -7.343 0.000) 8.840 9.414 ( 2.699 6.850 -0.000) 7.363 9.570 ( -1.379 -2.190 0.000) 2.587 10.460 ( 9.545 4.850 0.000) 10.707 10.851 ( -3.765 -16.824 0.000) 17.240 14.732 ( 3.792 -0.149 0.000) 3.795 14.883 ( 0.047 -10.710 0.000) 10.710 15.258 ( 9.385 9.747 -0.000) 13.530 15.667 ( -5.687 -12.955 0.000) 14.148 16.572 ( -1.018 11.816 -0.000) 11.860 16.740 ( -6.248 1.403 -0.000) 6.404 18.855 ( 0.443 4.745 -0.000) 4.765 18.965 ( -3.690 -1.186 -0.000) 3.876 28.887 ( 1.498 1.704 -0.000) 2.269 28.967 ( -0.327 -3.135 0.000) 3.152 29.055 ( 4.526 -0.346 0.000) 4.539 29.254 ( -2.666 -10.816 0.000) 11.140 30.627 ( 11.314 3.332 0.000) 11.795 30.940 ( -0.068 -13.775 0.000) 13.775 32.486 ( -2.552 11.735 -0.000) 12.009 32.625 ( -7.289 2.992 -0.000) 7.879 ======================= Grid point 242 (80/90) ======================= q-point: ( 0.42 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.000 8.468 11.483) 14.268 3.157 ( -0.000 -25.285 0.812) 25.299 3.287 ( 0.000 -2.967 12.343) 12.695 3.959 ( 0.000 -0.277 18.129) 18.131 4.135 ( -0.000 1.192 -8.367) 8.452 4.497 ( 0.000 -3.270 5.739) 6.606 5.693 ( 0.000 16.803 -12.265) 20.803 5.909 ( 0.000 5.611 -0.222) 5.615 5.946 ( 0.000 8.375 -4.118) 9.333 6.468 ( -0.000 -1.314 -6.642) 6.770 6.635 ( -0.000 -3.060 -14.537) 14.855 6.917 ( 0.000 2.674 11.303) 11.615 8.391 ( 0.000 2.774 2.613) 3.811 8.699 ( 0.000 -1.070 6.511) 6.598 9.096 ( -0.000 2.114 -2.703) 3.432 9.280 ( -0.000 -1.790 -3.431) 3.870 9.582 ( 0.000 0.889 10.012) 10.052 9.691 ( 0.000 1.322 10.300) 10.384 10.303 ( -0.000 0.326 -4.688) 4.700 10.946 ( -0.000 -13.391 4.810) 14.229 14.743 ( 0.000 -0.521 3.969) 4.003 14.922 ( -0.000 -10.525 2.462) 10.809 15.023 ( -0.000 8.813 -9.997) 13.327 15.641 ( -0.000 -11.532 -7.215) 13.603 16.557 ( 0.000 10.408 -2.586) 10.724 16.758 ( -0.000 1.553 -4.558) 4.815 18.862 ( 0.000 2.016 3.433) 3.981 19.203 ( 0.000 0.935 14.589) 14.619 28.848 ( -0.000 0.670 -2.544) 2.631 28.987 ( -0.000 -0.335 -1.072) 1.124 28.992 ( 0.000 -2.084 3.566) 4.131 29.383 ( -0.000 -12.705 7.208) 14.607 30.453 ( -0.000 4.680 -4.269) 6.334 30.846 ( -0.000 -10.235 -8.988) 13.621 31.947 ( -0.000 7.350 -27.252) 28.225 33.297 ( 0.000 5.087 30.069) 30.497 ======================= Grid point 243 (81/90) ======================= q-point: ( 0.42 -0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 13.953 -13.953 7.409) 21.077 2.381 ( 14.526 -14.527 7.319) 21.808 3.364 ( -0.463 0.463 6.179) 6.214 3.921 ( -5.176 5.176 15.112) 16.791 4.263 ( 4.080 -4.081 -7.769) 9.677 4.353 ( 5.035 -5.034 8.512) 11.097 5.839 ( -6.075 6.075 -12.747) 15.372 5.961 ( -2.625 2.625 -0.019) 3.712 6.191 ( 3.191 -3.191 -4.695) 6.513 6.407 ( -7.141 7.141 -4.911) 11.230 6.534 ( -2.820 2.820 -12.824) 13.430 6.976 ( 0.445 -0.445 10.553) 10.572 8.423 ( -0.576 0.576 -2.566) 2.692 8.682 ( -2.755 2.755 7.452) 8.409 9.177 ( 0.407 -0.407 -1.754) 1.846 9.192 ( 0.730 -0.730 -3.308) 3.465 9.640 ( -2.909 2.909 10.111) 10.916 9.683 ( -1.370 1.370 10.555) 10.731 10.338 ( 5.149 -5.149 -9.387) 11.881 10.761 ( 2.641 -2.641 10.566) 11.207 14.742 ( 0.707 -0.707 2.805) 2.978 14.794 ( 3.113 -3.113 3.730) 5.770 15.198 ( 2.240 -2.240 -13.640) 14.003 15.442 ( 1.942 -1.942 -3.232) 4.241 16.696 ( -4.476 4.476 -5.216) 8.202 16.749 ( -2.202 2.202 -2.955) 4.293 18.884 ( -0.373 0.373 2.326) 2.385 19.208 ( -2.216 2.216 15.477) 15.792 28.835 ( -1.924 1.924 -2.563) 3.739 28.969 ( -0.547 0.547 -2.436) 2.555 29.061 ( 4.098 -4.098 7.146) 9.201 29.173 ( 4.919 -4.919 5.762) 9.033 30.583 ( 1.073 -1.073 -7.254) 7.410 30.671 ( 5.155 -5.155 -3.905) 8.270 32.028 ( -3.761 3.761 -28.713) 29.201 33.350 ( -4.597 4.597 29.867) 30.567 ======================= Grid point 250 (82/90) ======================= q-point: (-0.45 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.000 3.511 14.223) 14.650 2.612 ( -0.000 -26.509 10.633) 28.562 3.676 ( 0.000 0.302 21.559) 21.561 3.884 ( -0.000 -0.278 -14.929) 14.932 3.952 ( -0.000 -5.726 -12.117) 13.402 4.847 ( 0.000 -2.177 30.064) 30.143 5.512 ( -0.000 4.423 -21.883) 22.325 6.039 ( 0.000 2.948 2.624) 3.947 6.043 ( -0.000 4.804 -4.079) 6.302 6.291 ( -0.000 0.588 -8.726) 8.746 6.303 ( -0.000 1.828 -16.461) 16.562 7.189 ( 0.000 1.916 8.719) 8.927 8.371 ( -0.000 -1.040 -1.947) 2.208 8.857 ( 0.000 2.809 4.159) 5.019 9.078 ( -0.000 1.600 -2.675) 3.117 9.180 ( -0.000 -4.954 1.315) 5.125 9.925 ( 0.000 5.785 12.796) 14.043 9.978 ( 0.000 0.732 12.690) 12.711 10.077 ( -0.000 -4.818 -8.105) 9.429 10.989 ( 0.000 -1.981 12.175) 12.335 14.731 ( -0.000 1.285 -13.459) 13.520 14.847 ( 0.000 -0.266 6.299) 6.304 14.950 ( -0.000 -5.581 3.140) 6.404 15.331 ( -0.000 -3.548 -5.587) 6.618 16.610 ( -0.000 4.510 -7.025) 8.348 16.650 ( -0.000 0.827 -7.729) 7.773 19.007 ( 0.000 0.151 8.257) 8.258 19.570 ( 0.000 2.087 14.561) 14.710 28.861 ( 0.000 5.641 -0.036) 5.641 29.025 ( 0.000 1.085 1.919) 2.205 29.063 ( 0.000 -1.220 6.310) 6.427 29.269 ( -0.000 -12.405 6.647) 14.074 30.399 ( -0.000 2.492 -8.027) 8.405 30.478 ( -0.000 -4.409 -10.021) 10.948 31.523 ( -0.000 1.581 -21.397) 21.456 33.980 ( 0.000 4.524 24.151) 24.571 ======================= Grid point 257 (83/90) ======================= q-point: (-0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 0.000 -0.000 5.958) 5.958 2.535 ( 0.000 -0.000 5.958) 5.958 3.580 ( -0.000 0.000 -10.792) 10.792 3.580 ( -0.000 0.000 -10.792) 10.792 4.197 ( 0.000 -0.000 24.782) 24.782 5.042 ( -0.000 0.000 -24.050) 24.050 5.293 ( 0.000 -0.000 10.077) 10.077 5.899 ( -0.000 0.000 -17.036) 17.036 5.899 ( -0.000 0.000 -17.036) 17.036 6.192 ( 0.000 -0.000 2.286) 2.286 6.192 ( 0.000 -0.000 2.286) 2.286 7.346 ( 0.000 -0.000 3.743) 3.743 8.338 ( 0.000 -0.000 1.000) 1.000 9.048 ( -0.000 0.000 -1.782) 1.782 9.048 ( -0.000 0.000 -1.782) 1.782 9.124 ( 0.000 -0.000 12.622) 12.622 9.826 ( -0.000 0.000 -8.290) 8.290 10.256 ( 0.000 -0.000 10.574) 10.574 10.256 ( 0.000 -0.000 10.574) 10.574 11.263 ( 0.000 -0.000 13.795) 13.795 14.449 ( -0.000 0.000 -12.773) 12.773 14.978 ( 0.000 -0.000 5.695) 5.695 14.978 ( 0.000 -0.000 5.695) 5.695 15.238 ( -0.000 0.000 -0.808) 0.808 16.487 ( -0.000 0.000 -7.754) 7.754 16.487 ( -0.000 0.000 -7.754) 7.754 19.201 ( 0.000 -0.000 9.166) 9.166 19.838 ( 0.000 -0.000 7.708) 7.708 29.002 ( 0.000 -0.000 0.765) 0.765 29.109 ( 0.000 -0.000 2.245) 2.245 29.202 ( 0.000 -0.000 7.787) 7.787 29.202 ( 0.000 -0.000 7.787) 7.787 30.231 ( -0.000 0.000 -9.783) 9.783 30.231 ( -0.000 0.000 -9.783) 9.783 31.161 ( -0.000 0.000 -12.269) 12.269 34.478 ( 0.000 -0.000 17.461) 17.461 ======================= Grid point 295 (84/90) ======================= q-point: ( 0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.000 9.378 -0.000) 9.378 3.147 ( -0.000 -30.501 0.000) 30.501 3.201 ( 0.000 6.587 -0.000) 6.587 3.662 ( -0.000 -5.592 0.000) 5.592 4.226 ( 0.000 1.956 -0.000) 1.956 4.473 ( -0.000 -0.920 0.000) 0.920 5.835 ( 0.000 25.012 -0.000) 25.012 5.912 ( 0.000 4.541 -0.000) 4.541 5.990 ( -0.000 -0.183 0.000) 0.183 6.630 ( 0.000 9.348 -0.000) 9.348 6.697 ( -0.000 -5.862 0.000) 5.862 6.812 ( -0.000 -6.920 0.000) 6.920 8.337 ( 0.000 9.901 -0.000) 9.901 8.632 ( -0.000 -4.195 0.000) 4.195 9.134 ( 0.000 2.673 -0.000) 2.673 9.383 ( 0.000 7.466 -0.000) 7.466 9.406 ( -0.000 -8.618 0.000) 8.618 9.569 ( 0.000 0.657 -0.000) 0.657 10.357 ( 0.000 3.351 -0.000) 3.351 10.891 ( -0.000 -17.203 0.000) 17.203 14.699 ( -0.000 -0.541 0.000) 0.541 14.883 ( -0.000 -10.745 0.000) 10.745 15.148 ( 0.000 10.044 -0.000) 10.044 15.729 ( -0.000 -13.256 0.000) 13.256 16.583 ( 0.000 11.702 -0.000) 11.702 16.807 ( 0.000 1.568 -0.000) 1.568 18.851 ( 0.000 4.673 -0.000) 4.673 19.007 ( -0.000 -1.489 0.000) 1.489 28.872 ( 0.000 1.552 -0.000) 1.552 28.954 ( -0.000 -2.010 0.000) 2.010 29.020 ( -0.000 -2.385 0.000) 2.385 29.287 ( -0.000 -12.363 0.000) 12.363 30.499 ( 0.000 4.867 -0.000) 4.867 30.941 ( -0.000 -12.395 0.000) 12.395 32.513 ( 0.000 11.612 -0.000) 11.612 32.705 ( 0.000 2.392 -0.000) 2.392 ======================= Grid point 296 (85/90) ======================= q-point: ( 0.36 -0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -3.913 -34.742 0.000) 34.962 2.292 ( 34.742 3.913 0.000) 34.962 3.482 ( -4.085 0.457 0.000) 4.110 3.482 ( -0.457 4.085 0.000) 4.110 4.343 ( -1.194 -6.958 0.000) 7.060 4.343 ( 6.958 1.195 0.000) 7.060 5.960 ( -3.421 1.603 -0.000) 3.777 5.960 ( -1.603 3.421 -0.000) 3.777 6.368 ( -13.498 -3.503 -0.000) 13.945 6.368 ( 3.503 13.498 -0.000) 13.945 6.763 ( 0.291 -0.743 0.000) 0.798 6.763 ( 0.743 -0.291 0.000) 0.798 8.519 ( -3.838 0.713 0.000) 3.904 8.519 ( -0.713 3.838 0.000) 3.904 9.228 ( -3.460 -2.911 0.000) 4.522 9.228 ( 2.911 3.460 0.000) 4.522 9.534 ( -3.502 -0.815 0.000) 3.596 9.534 ( 0.815 3.502 0.000) 3.596 10.543 ( 0.128 -8.212 0.000) 8.213 10.543 ( 8.212 -0.128 0.000) 8.213 14.728 ( 0.575 -3.694 0.000) 3.739 14.728 ( 3.694 -0.575 0.000) 3.739 15.422 ( -3.811 -7.667 0.000) 8.562 15.422 ( 7.667 3.811 0.000) 8.562 16.766 ( -6.073 1.203 -0.000) 6.191 16.766 ( -1.203 6.073 -0.000) 6.191 18.944 ( -1.764 0.829 0.000) 1.949 18.944 ( -0.829 1.764 0.000) 1.949 28.916 ( 0.091 -0.645 0.000) 0.652 28.916 ( 0.645 -0.091 0.000) 0.652 29.060 ( 0.834 -5.300 0.000) 5.365 29.060 ( 5.300 -0.834 0.000) 5.365 30.687 ( -1.747 -8.761 0.000) 8.933 30.687 ( 8.761 1.747 0.000) 8.933 32.684 ( -4.557 4.254 0.000) 6.234 32.684 ( -4.254 4.557 0.000) 6.234 ======================= Grid point 303 (86/90) ======================= q-point: ( 0.49 -0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.000 4.451 10.311) 11.231 2.414 ( -0.000 -31.683 7.177) 32.486 3.364 ( 0.000 1.809 5.489) 5.779 4.009 ( 0.000 4.372 19.712) 20.191 4.152 ( -0.000 0.491 -9.471) 9.483 4.327 ( -0.000 -10.160 4.274) 11.022 5.916 ( -0.000 6.699 -12.060) 13.796 5.994 ( 0.000 2.343 1.441) 2.751 6.110 ( -0.000 2.506 -7.482) 7.890 6.492 ( -0.000 5.715 -7.974) 9.810 6.602 ( -0.000 -0.498 -10.804) 10.815 6.955 ( 0.000 0.107 12.875) 12.876 8.428 ( -0.000 0.965 -3.573) 3.701 8.718 ( 0.000 1.972 8.055) 8.293 9.146 ( -0.000 2.254 -3.568) 4.220 9.211 ( -0.000 -3.248 -3.521) 4.790 9.664 ( 0.000 4.491 11.040) 11.918 9.710 ( 0.000 0.594 11.061) 11.077 10.267 ( -0.000 -3.431 -9.195) 9.814 10.743 ( 0.000 -5.388 10.891) 12.151 14.734 ( 0.000 -0.297 4.003) 4.014 14.768 ( 0.000 -4.055 3.503) 5.359 15.144 ( -0.000 1.962 -13.725) 13.865 15.443 ( -0.000 -5.797 -4.053) 7.073 16.732 ( 0.000 5.794 -4.135) 7.118 16.784 ( -0.000 0.908 -4.600) 4.689 18.887 ( 0.000 0.538 2.010) 2.081 19.235 ( 0.000 1.647 15.813) 15.898 28.879 ( 0.000 2.497 -1.453) 2.889 28.958 ( 0.000 -1.150 3.463) 3.649 28.992 ( 0.000 0.533 0.895) 1.042 29.139 ( -0.000 -9.901 5.325) 11.243 30.535 ( -0.000 2.834 -4.588) 5.393 30.649 ( -0.000 -7.365 -5.747) 9.342 32.068 ( -0.000 3.947 -29.400) 29.664 33.401 ( 0.000 4.046 30.070) 30.341 ======================= Grid point 310 (87/90) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 0.000 -0.000 13.658) 13.658 2.300 ( 0.000 -0.000 13.658) 13.658 3.677 ( 0.000 -0.000 21.777) 21.777 3.881 ( -0.000 0.000 -15.200) 15.200 3.881 ( -0.000 0.000 -15.200) 15.200 4.824 ( 0.000 -0.000 31.163) 31.163 5.563 ( -0.000 0.000 -24.858) 24.858 6.060 ( 0.000 -0.000 1.481) 1.481 6.060 ( 0.000 -0.000 1.481) 1.481 6.332 ( -0.000 0.000 -14.482) 14.482 6.332 ( -0.000 0.000 -14.482) 14.482 7.207 ( 0.000 -0.000 9.566) 9.566 8.359 ( -0.000 0.000 -2.501) 2.501 8.919 ( 0.000 -0.000 8.126) 8.126 9.098 ( -0.000 0.000 -2.940) 2.940 9.098 ( -0.000 0.000 -2.940) 2.940 9.993 ( 0.000 -0.000 13.577) 13.577 9.993 ( 0.000 -0.000 13.577) 13.577 10.011 ( -0.000 0.000 -9.197) 9.197 10.972 ( 0.000 -0.000 13.585) 13.585 14.778 ( -0.000 0.000 -17.570) 17.570 14.844 ( 0.000 -0.000 6.317) 6.317 14.844 ( 0.000 -0.000 6.317) 6.317 15.303 ( -0.000 0.000 -4.701) 4.701 16.659 ( -0.000 0.000 -7.804) 7.804 16.659 ( -0.000 0.000 -7.804) 7.804 19.008 ( 0.000 -0.000 8.299) 8.299 19.595 ( 0.000 -0.000 14.677) 14.677 28.996 ( 0.000 -0.000 0.102) 0.102 29.048 ( 0.000 -0.000 2.998) 2.998 29.050 ( 0.000 -0.000 6.287) 6.287 29.050 ( 0.000 -0.000 6.287) 6.287 30.426 ( -0.000 0.000 -8.251) 8.251 30.426 ( -0.000 0.000 -8.251) 8.251 31.541 ( -0.000 0.000 -23.095) 23.095 34.031 ( 0.000 -0.000 24.628) 24.628 ======================= Grid point 357 (88/90) ======================= q-point: ( 0.43 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.000 4.861 -0.000) 4.861 2.334 ( -0.000 -34.066 0.000) 34.066 3.445 ( 0.000 8.121 -0.000) 8.121 3.566 ( -0.000 -3.202 0.000) 3.202 4.256 ( 0.000 0.956 -0.000) 0.956 4.356 ( -0.000 -7.168 0.000) 7.168 5.979 ( 0.000 1.810 -0.000) 1.810 5.992 ( 0.000 0.277 -0.000) 0.277 6.303 ( 0.000 18.501 -0.000) 18.501 6.594 ( -0.000 -3.620 0.000) 3.620 6.723 ( -0.000 -2.244 0.000) 2.244 6.742 ( 0.000 0.882 -0.000) 0.882 8.509 ( 0.000 5.866 -0.000) 5.866 8.581 ( -0.000 -1.018 0.000) 1.018 9.197 ( 0.000 2.973 -0.000) 2.973 9.274 ( -0.000 -3.867 0.000) 3.867 9.519 ( 0.000 4.868 -0.000) 4.868 9.574 ( -0.000 -0.011 0.000) 0.011 10.418 ( 0.000 2.167 -0.000) 2.167 10.574 ( -0.000 -11.690 0.000) 11.690 14.690 ( -0.000 -0.313 0.000) 0.313 14.726 ( -0.000 -4.192 0.000) 4.192 15.315 ( 0.000 5.504 -0.000) 5.504 15.481 ( -0.000 -9.298 0.000) 9.298 16.777 ( 0.000 6.309 -0.000) 6.309 16.834 ( 0.000 0.922 -0.000) 0.922 18.937 ( 0.000 3.140 -0.000) 3.140 18.981 ( -0.000 -0.864 0.000) 0.864 28.900 ( 0.000 0.953 -0.000) 0.953 28.920 ( -0.000 -1.109 0.000) 1.109 28.991 ( -0.000 -0.564 0.000) 0.564 29.069 ( -0.000 -7.599 0.000) 7.599 30.585 ( 0.000 2.960 -0.000) 2.960 30.711 ( -0.000 -8.389 0.000) 8.389 32.708 ( 0.000 6.472 -0.000) 6.472 32.755 ( 0.000 2.011 -0.000) 2.011 ======================= Grid point 364 (89/90) ======================= q-point: (-0.44 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 0.000 -0.000 9.944) 9.944 2.036 ( 0.000 -0.000 9.944) 9.944 3.378 ( 0.000 -0.000 4.485) 4.485 4.109 ( 0.000 -0.000 33.304) 33.304 4.157 ( -0.000 0.000 -9.881) 9.881 4.157 ( -0.000 0.000 -9.881) 9.881 6.016 ( 0.000 -0.000 1.779) 1.779 6.016 ( 0.000 -0.000 1.779) 1.779 6.081 ( -0.000 0.000 -23.760) 23.760 6.599 ( -0.000 0.000 -9.319) 9.319 6.599 ( -0.000 0.000 -9.319) 9.319 6.940 ( 0.000 -0.000 15.582) 15.582 8.438 ( -0.000 0.000 -5.041) 5.041 8.746 ( 0.000 -0.000 8.397) 8.397 9.174 ( -0.000 0.000 -4.076) 4.076 9.174 ( -0.000 0.000 -4.076) 4.076 9.717 ( 0.000 -0.000 11.443) 11.443 9.717 ( 0.000 -0.000 11.443) 11.443 10.216 ( -0.000 0.000 -10.136) 10.136 10.694 ( 0.000 -0.000 12.553) 12.553 14.731 ( 0.000 -0.000 4.018) 4.018 14.731 ( 0.000 -0.000 4.018) 4.018 15.142 ( -0.000 0.000 -15.398) 15.398 15.396 ( -0.000 0.000 -2.864) 2.864 16.794 ( -0.000 0.000 -4.618) 4.618 16.794 ( -0.000 0.000 -4.618) 4.618 18.892 ( 0.000 -0.000 1.596) 1.596 19.255 ( 0.000 -0.000 16.176) 16.176 28.945 ( 0.000 -0.000 3.426) 3.426 28.945 ( 0.000 -0.000 3.426) 3.426 28.992 ( 0.000 -0.000 0.281) 0.281 28.999 ( 0.000 -0.000 1.397) 1.397 30.566 ( -0.000 0.000 -4.717) 4.717 30.566 ( -0.000 0.000 -4.717) 4.717 32.110 ( -0.000 0.000 -29.987) 29.987 33.447 ( 0.000 -0.000 30.162) 30.162 ======================= Grid point 419 (90/90) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.000 0.000 -0.000) 0.000 1.924 ( 0.000 0.000 -0.000) 0.000 3.532 ( -0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 -0.000) 0.000 4.267 ( 0.000 0.000 -0.000) 0.000 5.996 ( 0.000 0.000 -0.000) 0.000 5.996 ( 0.000 0.000 -0.000) 0.000 6.554 ( -0.000 -0.000 0.000) 0.000 6.554 ( 0.000 -0.000 0.000) 0.000 6.700 ( 0.000 0.000 -0.000) 0.000 6.700 ( 0.000 0.000 -0.000) 0.000 8.573 ( -0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 9.235 ( 0.000 0.000 -0.000) 0.000 9.235 ( 0.000 0.000 -0.000) 0.000 9.573 ( 0.000 0.000 -0.000) 0.000 9.573 ( 0.000 0.000 -0.000) 0.000 10.442 ( -0.000 0.000 0.000) 0.000 10.442 ( 0.000 0.000 0.000) 0.000 14.687 ( 0.000 0.000 -0.000) 0.000 14.687 ( 0.000 0.000 -0.000) 0.000 15.374 ( -0.000 0.000 0.000) 0.000 15.374 ( 0.000 0.000 0.000) 0.000 16.844 ( 0.000 0.000 -0.000) 0.000 16.844 ( 0.000 0.000 -0.000) 0.000 18.972 ( -0.000 0.000 0.000) 0.000 18.972 ( 0.000 0.000 0.000) 0.000 28.909 ( 0.000 0.000 -0.000) 0.000 28.909 ( 0.000 0.000 -0.000) 0.000 28.987 ( -0.000 0.000 0.000) 0.000 28.987 ( 0.000 0.000 0.000) 0.000 30.617 ( 0.000 0.000 -0.000) 0.000 30.617 ( 0.000 0.000 -0.000) 0.000 32.778 ( -0.000 0.000 0.000) 0.000 32.778 ( 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 3/28224 10.0 17683.704 17683.704 23802.752 -0.000 0.000 0.000 3/28224 20.0 3496.903 3496.903 4607.656 -0.000 0.000 0.000 3/28224 30.0 1104.897 1104.897 1304.030 -0.000 0.000 0.000 3/28224 40.0 527.282 527.282 590.505 -0.000 0.000 0.000 3/28224 50.0 306.634 306.634 339.526 -0.000 0.000 0.000 3/28224 60.0 200.984 200.984 222.906 -0.000 0.000 0.000 3/28224 70.0 143.457 143.457 159.862 -0.000 0.000 0.000 3/28224 80.0 109.066 109.066 122.123 -0.000 0.000 0.000 3/28224 90.0 86.935 86.935 97.729 -0.000 0.000 0.000 3/28224 100.0 71.829 71.829 80.988 -0.000 0.000 0.000 3/28224 110.0 61.012 61.012 68.939 -0.000 0.000 0.000 3/28224 120.0 52.959 52.959 59.927 -0.000 0.000 0.000 3/28224 130.0 46.767 46.767 52.973 -0.000 0.000 0.000 3/28224 140.0 41.876 41.876 47.466 -0.000 0.000 0.000 3/28224 150.0 37.925 37.925 43.009 -0.000 0.000 0.000 3/28224 160.0 34.672 34.672 39.335 -0.000 0.000 0.000 3/28224 170.0 31.948 31.948 36.260 -0.000 0.000 0.000 3/28224 180.0 29.635 29.635 33.652 -0.000 0.000 0.000 3/28224 190.0 27.648 27.648 31.412 -0.000 0.000 0.000 3/28224 200.0 25.922 25.922 29.471 -0.000 0.000 0.000 3/28224 210.0 24.408 24.408 27.773 -0.000 0.000 0.000 3/28224 220.0 23.070 23.070 26.275 -0.000 0.000 0.000 3/28224 230.0 21.879 21.879 24.945 -0.000 0.000 0.000 3/28224 240.0 20.811 20.811 23.756 -0.000 0.000 0.000 3/28224 250.0 19.848 19.848 22.687 -0.000 0.000 0.000 3/28224 260.0 18.976 18.976 21.720 -0.000 0.000 0.000 3/28224 270.0 18.181 18.181 20.842 -0.000 0.000 0.000 3/28224 280.0 17.454 17.454 20.040 -0.000 0.000 0.000 3/28224 290.0 16.786 16.786 19.305 -0.000 0.000 0.000 3/28224 300.0 16.170 16.170 18.629 -0.000 0.000 0.000 3/28224 310.0 15.601 15.601 18.005 -0.000 0.000 0.000 3/28224 320.0 15.072 15.072 17.426 -0.000 0.000 0.000 3/28224 330.0 14.580 14.580 16.888 -0.000 0.000 0.000 3/28224 340.0 14.121 14.121 16.386 -0.000 0.000 0.000 3/28224 350.0 13.692 13.692 15.917 -0.000 0.000 0.000 3/28224 360.0 13.289 13.289 15.477 -0.000 0.000 0.000 3/28224 370.0 12.911 12.911 15.063 -0.000 0.000 0.000 3/28224 380.0 12.554 12.554 14.674 -0.000 0.000 0.000 3/28224 390.0 12.218 12.218 14.306 -0.000 0.000 0.000 3/28224 400.0 11.900 11.900 13.958 -0.000 0.000 0.000 3/28224 410.0 11.599 11.599 13.628 -0.000 0.000 0.000 3/28224 420.0 11.314 11.314 13.315 -0.000 0.000 0.000 3/28224 430.0 11.042 11.042 13.017 -0.000 0.000 0.000 3/28224 440.0 10.785 10.785 12.734 -0.000 0.000 0.000 3/28224 450.0 10.539 10.539 12.463 -0.000 0.000 0.000 3/28224 460.0 10.304 10.304 12.205 -0.000 0.000 0.000 3/28224 470.0 10.081 10.081 11.957 -0.000 0.000 0.000 3/28224 480.0 9.867 9.867 11.721 -0.000 0.000 0.000 3/28224 490.0 9.662 9.662 11.494 -0.000 0.000 0.000 3/28224 500.0 9.466 9.466 11.276 -0.000 0.000 0.000 3/28224 510.0 9.278 9.278 11.066 -0.000 0.000 0.000 3/28224 520.0 9.097 9.097 10.865 -0.000 0.000 0.000 3/28224 530.0 8.924 8.924 10.671 -0.000 0.000 0.000 3/28224 540.0 8.757 8.757 10.485 -0.000 0.000 0.000 3/28224 550.0 8.596 8.596 10.305 -0.000 0.000 0.000 3/28224 560.0 8.442 8.442 10.131 -0.000 0.000 0.000 3/28224 570.0 8.293 8.293 9.963 -0.000 0.000 0.000 3/28224 580.0 8.149 8.149 9.801 -0.000 0.000 0.000 3/28224 590.0 8.010 8.010 9.644 -0.000 0.000 0.000 3/28224 600.0 7.876 7.876 9.492 -0.000 0.000 0.000 3/28224 610.0 7.747 7.747 9.345 -0.000 0.000 0.000 3/28224 620.0 7.622 7.622 9.203 -0.000 0.000 0.000 3/28224 630.0 7.500 7.500 9.065 -0.000 0.000 0.000 3/28224 640.0 7.383 7.383 8.931 -0.000 0.000 0.000 3/28224 650.0 7.269 7.269 8.801 -0.000 0.000 0.000 3/28224 660.0 7.159 7.159 8.675 -0.000 0.000 0.000 3/28224 670.0 7.052 7.052 8.553 -0.000 0.000 0.000 3/28224 680.0 6.949 6.949 8.434 -0.000 0.000 0.000 3/28224 690.0 6.848 6.848 8.318 -0.000 0.000 0.000 3/28224 700.0 6.750 6.750 8.205 -0.000 0.000 0.000 3/28224 710.0 6.656 6.656 8.096 -0.000 0.000 0.000 3/28224 720.0 6.563 6.563 7.989 -0.000 0.000 0.000 3/28224 730.0 6.474 6.474 7.885 -0.000 0.000 0.000 3/28224 740.0 6.386 6.386 7.784 -0.000 0.000 0.000 3/28224 750.0 6.301 6.301 7.685 -0.000 0.000 0.000 3/28224 760.0 6.219 6.219 7.589 -0.000 0.000 0.000 3/28224 770.0 6.138 6.138 7.495 -0.000 0.000 0.000 3/28224 780.0 6.060 6.060 7.404 -0.000 0.000 0.000 3/28224 790.0 5.983 5.983 7.315 -0.000 0.000 0.000 3/28224 800.0 5.909 5.909 7.227 -0.000 0.000 0.000 3/28224 810.0 5.836 5.836 7.142 -0.000 0.000 0.000 3/28224 820.0 5.765 5.765 7.059 -0.000 0.000 0.000 3/28224 830.0 5.696 5.696 6.978 -0.000 0.000 0.000 3/28224 840.0 5.628 5.628 6.899 -0.000 0.000 0.000 3/28224 850.0 5.562 5.562 6.821 -0.000 0.000 0.000 3/28224 860.0 5.498 5.498 6.745 -0.000 0.000 0.000 3/28224 870.0 5.435 5.435 6.671 -0.000 0.000 0.000 3/28224 880.0 5.374 5.374 6.598 -0.000 0.000 0.000 3/28224 890.0 5.313 5.313 6.527 -0.000 0.000 0.000 3/28224 900.0 5.255 5.255 6.458 -0.000 0.000 0.000 3/28224 910.0 5.197 5.197 6.390 -0.000 0.000 0.000 3/28224 920.0 5.141 5.141 6.323 -0.000 0.000 0.000 3/28224 930.0 5.086 5.086 6.258 -0.000 0.000 0.000 3/28224 940.0 5.032 5.032 6.194 -0.000 0.000 0.000 3/28224 950.0 4.979 4.979 6.131 -0.000 0.000 0.000 3/28224 960.0 4.928 4.928 6.069 -0.000 0.000 0.000 3/28224 970.0 4.877 4.877 6.009 -0.000 0.000 0.000 3/28224 980.0 4.828 4.828 5.950 -0.000 0.000 0.000 3/28224 990.0 4.779 4.779 5.892 -0.000 0.000 0.000 3/28224 1000.0 4.731 4.731 5.835 -0.000 0.000 0.000 3/28224 Thermal conductivity related properties were written into "kappa-m17112.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:18:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|