----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:03:04]------------------------- 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 -3.565920095000000 3.565920095000000 3.155441205000000 b 3.565920095000000 -3.565920095000000 3.155441205000000 c 3.565920095000000 3.565920095000000 -3.155441205000000 Atomic positions (fractional): *1 O 0.58306211549745 0.90565660788881 0.32259449239135 15.999 2 O 0.65565660788881 0.83306211549745 0.82259449239135 15.999 3 O 0.01046762310610 0.83306211549745 0.17740550760865 15.999 4 O 0.58306211549745 0.26046762310610 0.67740550760865 15.999 5 O 0.73953237689390 0.41693788450255 0.32259449239135 15.999 6 O 0.16693788450255 0.98953237689390 0.82259449239135 15.999 7 O 0.16693788450255 0.34434339211119 0.17740550760865 15.999 8 O 0.09434339211119 0.41693788450255 0.67740550760865 15.999 *9 Si 0.75000000000000 0.25000000000000 0.50000000000000 28.085 10 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 *11 Th 0.25000000000000 0.75000000000000 0.50000000000000 232.038 12 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.131840190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.131840190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.310882410000000 Atomic positions (fractional): *1 O 0.32259449239135 0.00000000000000 0.58306211549745 15.999 > 1 2 O 0.00000000000000 0.82259449239135 0.83306211549745 15.999 > 2 3 O 0.00000000000000 0.17740550760865 0.83306211549745 15.999 > 3 4 O 0.17740550760865 0.50000000000000 0.08306211549745 15.999 > 4 5 O 0.00000000000000 0.32259449239135 0.41693788450255 15.999 > 5 6 O 0.32259449239135 0.50000000000000 0.66693788450255 15.999 > 6 7 O 0.67740550760865 0.50000000000000 0.66693788450255 15.999 > 7 8 O 0.50000000000000 0.17740550760865 0.91693788450255 15.999 > 8 9 O 0.82259449239135 0.50000000000000 0.08306211549745 15.999 > 1 10 O 0.50000000000000 0.32259449239135 0.33306211549745 15.999 > 2 11 O 0.50000000000000 0.67740550760865 0.33306211549745 15.999 > 3 12 O 0.67740550760865 0.00000000000000 0.58306211549745 15.999 > 4 13 O 0.50000000000000 0.82259449239135 0.91693788450255 15.999 > 5 14 O 0.82259449239135 0.00000000000000 0.16693788450255 15.999 > 6 15 O 0.17740550760865 0.00000000000000 0.16693788450255 15.999 > 7 16 O 0.00000000000000 0.67740550760865 0.41693788450255 15.999 > 8 *17 Si 0.50000000000000 0.00000000000000 0.75000000000000 28.085 > 9 18 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 10 19 Si 0.00000000000000 0.50000000000000 0.25000000000000 28.085 > 9 20 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 10 *21 Th 0.00000000000000 0.50000000000000 0.75000000000000 232.038 > 11 22 Th 0.00000000000000 0.00000000000000 0.50000000000000 232.038 > 12 23 Th 0.50000000000000 0.00000000000000 0.25000000000000 232.038 > 11 24 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.131840190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.131840190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.621764819999999 Atomic positions (fractional): *1 O 0.32259449239135 0.00000000000000 0.29153105774873 15.999 > 1 2 O 0.32259449239135 0.00000000000000 0.79153105774873 15.999 > 1 3 O 0.00000000000000 0.82259449239135 0.41653105774873 15.999 > 2 4 O 0.00000000000000 0.82259449239135 0.91653105774873 15.999 > 2 5 O 0.00000000000000 0.17740550760865 0.41653105774873 15.999 > 3 6 O 0.00000000000000 0.17740550760865 0.91653105774873 15.999 > 3 7 O 0.17740550760865 0.50000000000000 0.04153105774873 15.999 > 4 8 O 0.17740550760865 0.50000000000000 0.54153105774873 15.999 > 4 9 O 0.00000000000000 0.32259449239135 0.20846894225127 15.999 > 5 10 O 0.00000000000000 0.32259449239135 0.70846894225127 15.999 > 5 11 O 0.32259449239135 0.50000000000000 0.33346894225127 15.999 > 6 12 O 0.32259449239135 0.50000000000000 0.83346894225127 15.999 > 6 13 O 0.67740550760865 0.50000000000000 0.33346894225127 15.999 > 7 14 O 0.67740550760865 0.50000000000000 0.83346894225127 15.999 > 7 15 O 0.50000000000000 0.17740550760865 0.45846894225127 15.999 > 8 16 O 0.50000000000000 0.17740550760865 0.95846894225127 15.999 > 8 17 O 0.82259449239135 0.50000000000000 0.04153105774873 15.999 > 1 18 O 0.82259449239135 0.50000000000000 0.54153105774873 15.999 > 1 19 O 0.50000000000000 0.32259449239135 0.16653105774873 15.999 > 2 20 O 0.50000000000000 0.32259449239135 0.66653105774873 15.999 > 2 21 O 0.50000000000000 0.67740550760865 0.16653105774873 15.999 > 3 22 O 0.50000000000000 0.67740550760865 0.66653105774873 15.999 > 3 23 O 0.67740550760865 0.00000000000000 0.29153105774873 15.999 > 4 24 O 0.67740550760865 0.00000000000000 0.79153105774873 15.999 > 4 25 O 0.50000000000000 0.82259449239135 0.45846894225127 15.999 > 5 26 O 0.50000000000000 0.82259449239135 0.95846894225127 15.999 > 5 27 O 0.82259449239135 0.00000000000000 0.08346894225127 15.999 > 6 28 O 0.82259449239135 0.00000000000000 0.58346894225127 15.999 > 6 29 O 0.17740550760865 0.00000000000000 0.08346894225127 15.999 > 7 30 O 0.17740550760865 0.00000000000000 0.58346894225127 15.999 > 7 31 O 0.00000000000000 0.67740550760865 0.20846894225127 15.999 > 8 32 O 0.00000000000000 0.67740550760865 0.70846894225127 15.999 > 8 *33 Si 0.50000000000000 0.00000000000000 0.37500000000000 28.085 > 9 34 Si 0.50000000000000 0.00000000000000 0.87500000000000 28.085 > 9 35 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 10 36 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 10 37 Si 0.00000000000000 0.50000000000000 0.12500000000000 28.085 > 9 38 Si 0.00000000000000 0.50000000000000 0.62500000000000 28.085 > 9 39 Si 0.50000000000000 0.50000000000000 0.25000000000000 28.085 > 10 40 Si 0.50000000000000 0.50000000000000 0.75000000000000 28.085 > 10 *41 Th 0.00000000000000 0.50000000000000 0.37500000000000 232.038 > 11 42 Th 0.00000000000000 0.50000000000000 0.87500000000000 232.038 > 11 43 Th 0.00000000000000 0.00000000000000 0.25000000000000 232.038 > 12 44 Th 0.00000000000000 0.00000000000000 0.75000000000000 232.038 > 12 45 Th 0.50000000000000 0.00000000000000 0.12500000000000 232.038 > 11 46 Th 0.50000000000000 0.00000000000000 0.62500000000000 232.038 > 11 47 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 12 48 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6846294 0.0000000 0.0000000 0.0000000 3.6846294 0.0000000 0.0000000 0.0000000 3.9095681 -------------------------- Born effective charges -------------------------- 1 O -3.2702729 0.0000000 -0.2742434 0.0000000 -1.0680055 0.0000000 -0.2657700 0.0000000 -2.3988811 2 O -1.0680055 0.0000000 0.0000000 0.0000000 -3.2702729 -0.2742434 0.0000000 -0.2657700 -2.3988811 3 O -1.0680055 0.0000000 0.0000000 0.0000000 -3.2702729 0.2742434 0.0000000 0.2657700 -2.3988811 4 O -3.2702729 0.0000000 0.2742434 0.0000000 -1.0680055 0.0000000 0.2657700 0.0000000 -2.3988811 5 O -1.0680055 0.0000000 0.0000000 0.0000000 -3.2702729 0.2742434 0.0000000 0.2657700 -2.3988811 6 O -3.2702729 0.0000000 0.2742434 0.0000000 -1.0680055 0.0000000 0.2657700 0.0000000 -2.3988811 7 O -3.2702729 0.0000000 -0.2742434 0.0000000 -1.0680055 0.0000000 -0.2657700 0.0000000 -2.3988811 8 O -1.0680055 0.0000000 0.0000000 0.0000000 -3.2702729 -0.2742434 0.0000000 -0.2657700 -2.3988811 9 Si 3.1276511 0.0000000 0.0000000 0.0000000 3.1276511 0.0000000 0.0000000 0.0000000 4.2686477 10 Si 3.1276511 0.0000000 0.0000000 0.0000000 3.1276511 0.0000000 0.0000000 0.0000000 4.2686477 11 Th 5.5489057 0.0000000 0.0000000 0.0000000 5.5489057 0.0000000 0.0000000 0.0000000 5.3268767 12 Th 5.5489057 0.0000000 0.0000000 0.0000000 5.5489057 0.0000000 0.0000000 0.0000000 5.3268767 ---------------------------------------------------------------------------- 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: 0.049 Solver_block: 160 / 160 - Time: 0.031 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.082 --------------------------------- 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:03:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:03:07]------------------------- 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 -3.565920095000000 3.565920095000000 3.155441205000000 b 3.565920095000000 -3.565920095000000 3.155441205000000 c 3.565920095000000 3.565920095000000 -3.155441205000000 Atomic positions (fractional): 1 O 0.58306211549745 0.90565660788881 0.32259449239135 15.999 2 O 0.65565660788881 0.83306211549745 0.82259449239135 15.999 3 O 0.01046762310610 0.83306211549745 0.17740550760865 15.999 4 O 0.58306211549745 0.26046762310610 0.67740550760865 15.999 5 O 0.73953237689390 0.41693788450255 0.32259449239135 15.999 6 O 0.16693788450255 0.98953237689390 0.82259449239135 15.999 7 O 0.16693788450255 0.34434339211119 0.17740550760865 15.999 8 O 0.09434339211119 0.41693788450255 0.67740550760865 15.999 9 Si 0.75000000000000 0.25000000000000 0.50000000000000 28.085 10 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 11 Th 0.25000000000000 0.75000000000000 0.50000000000000 232.038 12 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.131840190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.131840190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.621764819999999 Atomic positions (fractional): 1 O 0.32259449239135 0.00000000000000 0.29153105774873 15.999 > 1 2 O 0.32259449239135 0.00000000000000 0.79153105774873 15.999 > 1 3 O 0.00000000000000 0.82259449239135 0.41653105774873 15.999 > 3 4 O 0.00000000000000 0.82259449239135 0.91653105774873 15.999 > 3 5 O 0.00000000000000 0.17740550760865 0.41653105774873 15.999 > 5 6 O 0.00000000000000 0.17740550760865 0.91653105774873 15.999 > 5 7 O 0.17740550760865 0.50000000000000 0.04153105774873 15.999 > 7 8 O 0.17740550760865 0.50000000000000 0.54153105774873 15.999 > 7 9 O 0.00000000000000 0.32259449239135 0.20846894225127 15.999 > 9 10 O 0.00000000000000 0.32259449239135 0.70846894225127 15.999 > 9 11 O 0.32259449239135 0.50000000000000 0.33346894225127 15.999 > 11 12 O 0.32259449239135 0.50000000000000 0.83346894225127 15.999 > 11 13 O 0.67740550760865 0.50000000000000 0.33346894225127 15.999 > 13 14 O 0.67740550760865 0.50000000000000 0.83346894225127 15.999 > 13 15 O 0.50000000000000 0.17740550760865 0.45846894225127 15.999 > 15 16 O 0.50000000000000 0.17740550760865 0.95846894225127 15.999 > 15 17 O 0.82259449239135 0.50000000000000 0.04153105774873 15.999 > 1 18 O 0.82259449239135 0.50000000000000 0.54153105774873 15.999 > 1 19 O 0.50000000000000 0.32259449239135 0.16653105774873 15.999 > 3 20 O 0.50000000000000 0.32259449239135 0.66653105774873 15.999 > 3 21 O 0.50000000000000 0.67740550760865 0.16653105774873 15.999 > 5 22 O 0.50000000000000 0.67740550760865 0.66653105774873 15.999 > 5 23 O 0.67740550760865 0.00000000000000 0.29153105774873 15.999 > 7 24 O 0.67740550760865 0.00000000000000 0.79153105774873 15.999 > 7 25 O 0.50000000000000 0.82259449239135 0.45846894225127 15.999 > 9 26 O 0.50000000000000 0.82259449239135 0.95846894225127 15.999 > 9 27 O 0.82259449239135 0.00000000000000 0.08346894225127 15.999 > 11 28 O 0.82259449239135 0.00000000000000 0.58346894225127 15.999 > 11 29 O 0.17740550760865 0.00000000000000 0.08346894225127 15.999 > 13 30 O 0.17740550760865 0.00000000000000 0.58346894225127 15.999 > 13 31 O 0.00000000000000 0.67740550760865 0.20846894225127 15.999 > 15 32 O 0.00000000000000 0.67740550760865 0.70846894225127 15.999 > 15 33 Si 0.50000000000000 0.00000000000000 0.37500000000000 28.085 > 33 34 Si 0.50000000000000 0.00000000000000 0.87500000000000 28.085 > 33 35 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 35 36 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 35 37 Si 0.00000000000000 0.50000000000000 0.12500000000000 28.085 > 33 38 Si 0.00000000000000 0.50000000000000 0.62500000000000 28.085 > 33 39 Si 0.50000000000000 0.50000000000000 0.25000000000000 28.085 > 35 40 Si 0.50000000000000 0.50000000000000 0.75000000000000 28.085 > 35 41 Th 0.00000000000000 0.50000000000000 0.37500000000000 232.038 > 41 42 Th 0.00000000000000 0.50000000000000 0.87500000000000 232.038 > 41 43 Th 0.00000000000000 0.00000000000000 0.25000000000000 232.038 > 43 44 Th 0.00000000000000 0.00000000000000 0.75000000000000 232.038 > 43 45 Th 0.50000000000000 0.00000000000000 0.12500000000000 232.038 > 41 46 Th 0.50000000000000 0.00000000000000 0.62500000000000 232.038 > 41 47 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 43 48 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6846294 0.0000000 0.0000000 0.0000000 3.6846294 0.0000000 0.0000000 0.0000000 3.9095681 -------------------------- Born effective charges -------------------------- 1 O -3.2702729 0.0000000 -0.2742434 0.0000000 -1.0680055 0.0000000 -0.2657700 0.0000000 -2.3988811 2 O -1.0680055 0.0000000 0.0000000 0.0000000 -3.2702729 -0.2742434 0.0000000 -0.2657700 -2.3988811 3 O -1.0680055 0.0000000 0.0000000 0.0000000 -3.2702729 0.2742434 0.0000000 0.2657700 -2.3988811 4 O -3.2702729 0.0000000 0.2742434 0.0000000 -1.0680055 0.0000000 0.2657700 0.0000000 -2.3988811 5 O -1.0680055 0.0000000 0.0000000 0.0000000 -3.2702729 0.2742434 0.0000000 0.2657700 -2.3988811 6 O -3.2702729 0.0000000 0.2742434 0.0000000 -1.0680055 0.0000000 0.2657700 0.0000000 -2.3988811 7 O -3.2702729 0.0000000 -0.2742434 0.0000000 -1.0680055 0.0000000 -0.2657700 0.0000000 -2.3988811 8 O -1.0680055 0.0000000 0.0000000 0.0000000 -3.2702729 -0.2742434 0.0000000 -0.2657700 -2.3988811 9 Si 3.1276511 0.0000000 0.0000000 0.0000000 3.1276511 0.0000000 0.0000000 0.0000000 4.2686477 10 Si 3.1276511 0.0000000 0.0000000 0.0000000 3.1276511 0.0000000 0.0000000 0.0000000 4.2686477 11 Th 5.5489057 0.0000000 0.0000000 0.0000000 5.5489057 0.0000000 0.0000000 0.0000000 5.3268767 12 Th 5.5489057 0.0000000 0.0000000 0.0000000 5.5489057 0.0000000 0.0000000 0.0000000 5.3268767 ---------------------------------------------------------------------------- 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: -0.00000004 (yzy) -0.00000004 (yzy) -0.00000004 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:03:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:03:10]------------------------- 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 -3.565920095000000 3.565920095000000 3.155441205000000 b 3.565920095000000 -3.565920095000000 3.155441205000000 c 3.565920095000000 3.565920095000000 -3.155441205000000 Atomic positions (fractional): 1 O 0.58306211549745 0.90565660788881 0.32259449239135 15.999 2 O 0.65565660788881 0.83306211549745 0.82259449239135 15.999 3 O 0.01046762310610 0.83306211549745 0.17740550760865 15.999 4 O 0.58306211549745 0.26046762310610 0.67740550760865 15.999 5 O 0.73953237689390 0.41693788450255 0.32259449239135 15.999 6 O 0.16693788450255 0.98953237689390 0.82259449239135 15.999 7 O 0.16693788450255 0.34434339211119 0.17740550760865 15.999 8 O 0.09434339211119 0.41693788450255 0.67740550760865 15.999 9 Si 0.75000000000000 0.25000000000000 0.50000000000000 28.085 10 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 11 Th 0.25000000000000 0.75000000000000 0.50000000000000 232.038 12 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.131840190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.131840190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.621764819999999 Atomic positions (fractional): 1 O 0.32259449239135 0.00000000000000 0.29153105774873 15.999 > 1 2 O 0.32259449239135 0.00000000000000 0.79153105774873 15.999 > 1 3 O 0.00000000000000 0.82259449239135 0.41653105774873 15.999 > 3 4 O 0.00000000000000 0.82259449239135 0.91653105774873 15.999 > 3 5 O 0.00000000000000 0.17740550760865 0.41653105774873 15.999 > 5 6 O 0.00000000000000 0.17740550760865 0.91653105774873 15.999 > 5 7 O 0.17740550760865 0.50000000000000 0.04153105774873 15.999 > 7 8 O 0.17740550760865 0.50000000000000 0.54153105774873 15.999 > 7 9 O 0.00000000000000 0.32259449239135 0.20846894225127 15.999 > 9 10 O 0.00000000000000 0.32259449239135 0.70846894225127 15.999 > 9 11 O 0.32259449239135 0.50000000000000 0.33346894225127 15.999 > 11 12 O 0.32259449239135 0.50000000000000 0.83346894225127 15.999 > 11 13 O 0.67740550760865 0.50000000000000 0.33346894225127 15.999 > 13 14 O 0.67740550760865 0.50000000000000 0.83346894225127 15.999 > 13 15 O 0.50000000000000 0.17740550760865 0.45846894225127 15.999 > 15 16 O 0.50000000000000 0.17740550760865 0.95846894225127 15.999 > 15 17 O 0.82259449239135 0.50000000000000 0.04153105774873 15.999 > 1 18 O 0.82259449239135 0.50000000000000 0.54153105774873 15.999 > 1 19 O 0.50000000000000 0.32259449239135 0.16653105774873 15.999 > 3 20 O 0.50000000000000 0.32259449239135 0.66653105774873 15.999 > 3 21 O 0.50000000000000 0.67740550760865 0.16653105774873 15.999 > 5 22 O 0.50000000000000 0.67740550760865 0.66653105774873 15.999 > 5 23 O 0.67740550760865 0.00000000000000 0.29153105774873 15.999 > 7 24 O 0.67740550760865 0.00000000000000 0.79153105774873 15.999 > 7 25 O 0.50000000000000 0.82259449239135 0.45846894225127 15.999 > 9 26 O 0.50000000000000 0.82259449239135 0.95846894225127 15.999 > 9 27 O 0.82259449239135 0.00000000000000 0.08346894225127 15.999 > 11 28 O 0.82259449239135 0.00000000000000 0.58346894225127 15.999 > 11 29 O 0.17740550760865 0.00000000000000 0.08346894225127 15.999 > 13 30 O 0.17740550760865 0.00000000000000 0.58346894225127 15.999 > 13 31 O 0.00000000000000 0.67740550760865 0.20846894225127 15.999 > 15 32 O 0.00000000000000 0.67740550760865 0.70846894225127 15.999 > 15 33 Si 0.50000000000000 0.00000000000000 0.37500000000000 28.085 > 33 34 Si 0.50000000000000 0.00000000000000 0.87500000000000 28.085 > 33 35 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 35 36 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 35 37 Si 0.00000000000000 0.50000000000000 0.12500000000000 28.085 > 33 38 Si 0.00000000000000 0.50000000000000 0.62500000000000 28.085 > 33 39 Si 0.50000000000000 0.50000000000000 0.25000000000000 28.085 > 35 40 Si 0.50000000000000 0.50000000000000 0.75000000000000 28.085 > 35 41 Th 0.00000000000000 0.50000000000000 0.37500000000000 232.038 > 41 42 Th 0.00000000000000 0.50000000000000 0.87500000000000 232.038 > 41 43 Th 0.00000000000000 0.00000000000000 0.25000000000000 232.038 > 43 44 Th 0.00000000000000 0.00000000000000 0.75000000000000 232.038 > 43 45 Th 0.50000000000000 0.00000000000000 0.12500000000000 232.038 > 41 46 Th 0.50000000000000 0.00000000000000 0.62500000000000 232.038 > 41 47 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 43 48 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6846294 0.0000000 0.0000000 0.0000000 3.6846294 0.0000000 0.0000000 0.0000000 3.9095681 -------------------------- Born effective charges -------------------------- 1 O -3.2702729 0.0000000 -0.2742434 0.0000000 -1.0680055 0.0000000 -0.2657700 0.0000000 -2.3988811 2 O -1.0680055 0.0000000 0.0000000 0.0000000 -3.2702729 -0.2742434 0.0000000 -0.2657700 -2.3988811 3 O -1.0680055 0.0000000 0.0000000 0.0000000 -3.2702729 0.2742434 0.0000000 0.2657700 -2.3988811 4 O -3.2702729 0.0000000 0.2742434 0.0000000 -1.0680055 0.0000000 0.2657700 0.0000000 -2.3988811 5 O -1.0680055 0.0000000 0.0000000 0.0000000 -3.2702729 0.2742434 0.0000000 0.2657700 -2.3988811 6 O -3.2702729 0.0000000 0.2742434 0.0000000 -1.0680055 0.0000000 0.2657700 0.0000000 -2.3988811 7 O -3.2702729 0.0000000 -0.2742434 0.0000000 -1.0680055 0.0000000 -0.2657700 0.0000000 -2.3988811 8 O -1.0680055 0.0000000 0.0000000 0.0000000 -3.2702729 -0.2742434 0.0000000 -0.2657700 -2.3988811 9 Si 3.1276511 0.0000000 0.0000000 0.0000000 3.1276511 0.0000000 0.0000000 0.0000000 4.2686477 10 Si 3.1276511 0.0000000 0.0000000 0.0000000 3.1276511 0.0000000 0.0000000 0.0000000 4.2686477 11 Th 5.5489057 0.0000000 0.0000000 0.0000000 5.5489057 0.0000000 0.0000000 0.0000000 5.3268767 12 Th 5.5489057 0.0000000 0.0000000 0.0000000 5.5489057 0.0000000 0.0000000 0.0000000 5.3268767 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (yzy) -0.00000004 (yzy) -0.00000004 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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: 0.76, 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 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 3.613 ( 0.000 0.000 -0.000) 0.000 3.636 ( 0.000 -0.000 0.000) 0.000 3.741 ( 0.000 0.000 -0.000) 0.000 3.741 ( -0.000 0.000 -0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 5.620 ( -0.000 -0.000 0.000) 0.000 5.890 ( 0.000 -0.000 0.000) 0.000 5.890 ( 0.000 -0.000 0.000) 0.000 6.117 ( 0.000 0.000 -0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 8.518 ( -0.000 -0.000 -0.000) 0.000 8.518 ( -0.000 -0.000 0.000) 0.000 9.009 ( 0.000 -0.000 -0.000) 0.000 9.177 ( 0.000 0.000 -0.000) 0.000 9.177 ( 0.000 0.000 -0.000) 0.000 10.450 ( 0.000 -0.000 0.000) 0.000 12.527 ( 0.000 0.000 -0.000) 0.000 12.662 ( -0.000 0.000 0.000) 0.000 12.662 ( 0.000 0.000 -0.000) 0.000 14.661 ( -0.000 0.000 0.000) 0.000 14.661 ( 0.000 0.000 -0.000) 0.000 15.735 ( 0.000 0.000 0.000) 0.000 16.199 ( 0.000 0.000 0.000) 0.000 16.898 ( 0.000 0.000 0.000) 0.000 24.480 ( -0.000 0.000 0.000) 0.000 24.480 ( 0.000 0.000 -0.000) 0.000 25.279 ( -0.000 -0.000 0.000) 0.000 25.279 ( 0.000 0.000 -0.000) 0.000 25.809 ( 0.000 0.000 -0.000) 0.000 26.050 ( -0.000 0.000 0.000) 0.000 26.881 ( 0.000 0.000 0.000) 0.000 27.234 ( 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 22.391 22.391 0.000) 31.666 1.244 ( 30.580 30.580 0.000) 43.246 1.395 ( 33.752 33.752 0.000) 47.732 3.577 ( -3.039 -3.039 0.000) 4.298 3.691 ( 3.961 3.961 0.000) 5.601 3.916 ( 7.933 7.933 0.000) 11.219 3.916 ( 7.704 7.704 0.000) 10.895 5.640 ( 0.954 0.954 0.000) 1.350 5.645 ( 1.118 1.118 0.000) 1.581 5.763 ( -6.032 -6.032 0.000) 8.530 6.129 ( 0.270 0.270 0.000) 0.382 7.349 ( -5.972 -5.972 0.000) 8.445 7.911 ( 5.546 5.546 0.000) 7.843 8.125 ( -2.234 -2.234 0.000) 3.160 8.518 ( 0.319 0.319 0.000) 0.451 8.530 ( 0.562 0.562 0.000) 0.795 8.930 ( -3.729 -3.729 0.000) 5.273 9.111 ( -3.301 -3.301 0.000) 4.669 10.312 ( -6.745 -6.745 0.000) 9.539 10.359 ( -9.318 -9.318 0.000) 13.177 12.723 ( 3.021 3.021 0.000) 4.272 12.794 ( 12.358 12.358 0.000) 17.477 13.427 ( 3.316 3.316 0.000) 4.690 14.478 ( -8.388 -8.388 0.000) 11.863 14.589 ( -3.453 -3.453 0.000) 4.884 15.678 ( -3.191 -3.191 0.000) 4.513 16.269 ( 2.970 2.970 0.000) 4.200 16.852 ( -2.175 -2.175 0.000) 3.076 24.442 ( -1.635 -1.635 0.000) 2.312 25.125 ( -6.799 -6.799 0.000) 9.615 25.227 ( -1.708 -1.708 0.000) 2.416 25.977 ( 7.674 7.674 0.000) 10.853 25.983 ( -3.284 -3.284 0.000) 4.644 27.037 ( 6.807 6.807 0.000) 9.627 27.318 ( 3.842 3.842 0.000) 5.434 28.527 ( -7.186 -7.186 0.000) 10.163 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 19.466 19.466 0.000) 27.529 2.418 ( 27.394 27.394 0.000) 38.742 2.662 ( 28.969 28.969 0.000) 40.968 3.383 ( -6.679 -6.679 0.000) 9.446 3.890 ( 4.997 4.997 0.000) 7.067 4.254 ( 6.672 6.672 0.000) 9.436 4.265 ( 8.574 8.574 0.000) 12.126 5.434 ( -10.012 -10.012 0.000) 14.160 5.696 ( 1.975 1.975 0.000) 2.794 5.718 ( 3.150 3.150 0.000) 4.454 6.112 ( -1.407 -1.407 0.000) 1.990 6.997 ( -11.260 -11.260 0.000) 15.925 8.059 ( -0.238 -0.238 0.000) 0.336 8.242 ( 10.688 10.688 0.000) 15.115 8.562 ( 1.066 1.066 0.000) 1.507 8.587 ( 3.706 3.706 0.000) 5.242 8.726 ( -6.356 -6.356 0.000) 8.989 8.930 ( -5.217 -5.217 0.000) 7.378 9.896 ( -13.011 -13.011 0.000) 18.401 9.930 ( -11.933 -11.933 0.000) 16.876 12.904 ( 5.974 5.974 0.000) 8.448 13.433 ( 18.630 18.630 0.000) 26.347 13.613 ( 5.776 5.776 0.000) 8.168 14.062 ( -11.583 -11.583 0.000) 16.381 14.402 ( -5.652 -5.652 0.000) 7.993 15.442 ( -9.010 -9.010 0.000) 12.743 16.395 ( 3.003 3.003 0.000) 4.246 16.740 ( -3.184 -3.184 0.000) 4.503 24.382 ( -0.916 -0.916 0.000) 1.296 24.817 ( -7.778 -7.778 0.000) 11.000 25.202 ( 0.893 0.893 0.000) 1.263 25.796 ( -5.816 -5.816 0.000) 8.225 26.380 ( 12.157 12.157 0.000) 17.193 27.335 ( 7.158 7.158 0.000) 10.123 27.493 ( 4.219 4.219 0.000) 5.967 28.120 ( -12.695 -12.695 0.000) 17.953 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 15.429 15.429 0.000) 21.820 2.994 ( -10.017 -10.017 0.000) 14.167 3.418 ( 18.749 18.749 0.000) 26.515 3.671 ( 20.779 20.779 0.000) 29.386 3.936 ( -5.307 -5.307 0.000) 7.505 4.260 ( -7.622 -7.622 0.000) 10.780 4.589 ( 8.724 8.724 0.000) 12.337 4.998 ( -11.174 -11.174 0.000) 15.803 5.820 ( 4.292 4.292 0.000) 6.069 5.981 ( 10.420 10.420 0.000) 14.736 6.002 ( -4.062 -4.062 0.000) 5.744 6.486 ( -13.594 -13.594 0.000) 19.225 8.154 ( 5.095 5.095 0.000) 7.205 8.431 ( -7.915 -7.915 0.000) 11.193 8.623 ( 2.115 2.115 0.000) 2.992 8.728 ( 12.509 12.509 0.000) 17.690 8.741 ( -3.878 -3.878 0.000) 5.485 8.828 ( 7.534 7.534 0.000) 10.654 9.381 ( -11.421 -11.421 0.000) 16.152 9.408 ( -12.808 -12.808 0.000) 18.114 13.200 ( 8.773 8.773 0.000) 12.407 13.600 ( -11.045 -11.045 0.000) 15.620 13.872 ( 6.909 6.909 0.000) 9.771 14.150 ( -6.779 -6.779 0.000) 9.587 14.218 ( 19.668 19.668 0.000) 27.815 14.942 ( -15.764 -15.764 0.000) 22.294 16.505 ( 2.610 2.610 0.000) 3.691 16.614 ( -2.952 -2.952 0.000) 4.175 24.397 ( 1.934 1.934 0.000) 2.735 24.545 ( -5.425 -5.425 0.000) 7.673 25.313 ( 4.528 4.528 0.000) 6.403 25.542 ( -6.490 -6.490 0.000) 9.179 26.930 ( 14.974 14.974 0.000) 21.176 27.548 ( -15.375 -15.375 0.000) 21.743 27.559 ( 3.590 3.590 0.000) 5.077 27.608 ( 1.068 1.068 0.000) 1.511 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -0.000 5.684 25.254) 25.886 1.187 ( 0.000 35.922 22.610) 42.445 1.802 ( 0.000 31.905 54.744) 63.362 3.658 ( 0.000 2.733 0.150) 2.737 3.751 ( -0.000 -2.505 13.074) 13.312 3.820 ( 0.000 8.422 -0.985) 8.479 3.837 ( 0.000 9.633 0.331) 9.639 5.452 ( 0.000 0.444 -12.180) 12.188 5.534 ( 0.000 2.830 -9.564) 9.974 6.057 ( -0.000 0.650 11.076) 11.095 6.159 ( -0.000 0.661 3.334) 3.399 6.503 ( 0.000 26.702 -30.879) 40.823 7.541 ( 0.000 4.311 3.261) 5.405 8.308 ( -0.000 -8.785 -6.542) 10.954 8.416 ( 0.000 0.455 -8.706) 8.718 8.976 ( -0.000 -4.589 2.515) 5.233 9.126 ( -0.000 -11.490 20.079) 23.134 9.291 ( -0.000 -1.829 11.145) 11.294 10.335 ( -0.000 -6.666 -4.612) 8.106 10.946 ( -0.000 -34.752 21.328) 40.775 12.548 ( 0.000 10.255 -7.963) 12.984 12.693 ( -0.000 -0.649 3.633) 3.691 13.176 ( 0.000 19.855 -9.644) 22.073 14.574 ( -0.000 -7.869 -1.479) 8.007 14.633 ( 0.000 1.551 -4.179) 4.457 15.182 ( 0.000 -1.258 -39.774) 39.794 16.729 ( -0.000 -24.792 26.885) 36.571 17.357 ( -0.000 -0.116 32.234) 32.235 24.503 ( -0.000 -0.492 2.673) 2.717 25.145 ( -0.000 -7.570 -3.449) 8.318 25.264 ( 0.000 0.648 -2.068) 2.167 25.385 ( 0.000 41.495 -47.470) 63.049 25.872 ( 0.000 6.530 -2.434) 6.969 26.080 ( 0.000 6.751 -5.079) 8.448 27.231 ( 0.000 3.242 -3.527) 4.791 29.831 ( -0.000 -41.479 41.125) 58.410 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 42.585 8.787 9.287) 44.462 1.891 ( 17.272 20.269 29.264) 39.566 2.708 ( 3.252 46.062 22.347) 51.300 3.633 ( -4.243 -5.112 12.639) 14.279 3.804 ( 3.896 6.699 -0.196) 7.752 4.075 ( 6.263 8.141 -1.391) 10.365 4.141 ( 5.318 13.125 0.915) 14.191 5.437 ( -3.609 -0.039 -11.484) 12.038 5.567 ( 1.776 -0.340 -6.567) 6.812 5.920 ( -10.492 0.105 8.358) 13.414 6.172 ( 0.077 0.343 4.179) 4.194 6.873 ( 2.642 -0.787 -24.486) 24.641 7.755 ( 7.898 8.793 -2.672) 12.117 8.156 ( 1.186 -3.766 -0.824) 4.034 8.405 ( -1.503 1.283 -10.099) 10.291 8.813 ( -0.073 -8.834 9.986) 13.332 8.935 ( -5.019 -3.098 12.352) 13.688 9.195 ( -3.121 -3.370 12.420) 13.242 10.077 ( -6.296 -12.208 -3.811) 14.254 10.296 ( -4.008 -24.794 19.818) 31.993 12.756 ( 7.722 -1.263 2.003) 8.077 12.972 ( 10.676 18.197 -13.294) 24.936 13.472 ( -2.847 14.173 -7.194) 16.147 14.283 ( 0.187 -18.558 5.485) 19.352 14.586 ( -9.237 2.210 -2.003) 9.707 15.113 ( -1.684 -4.723 -35.013) 35.370 16.490 ( 0.477 -1.447 13.289) 13.376 17.243 ( -8.693 -1.154 30.003) 31.258 24.440 ( -3.506 -0.751 1.733) 3.982 24.911 ( -5.932 -8.474 -3.876) 11.046 25.234 ( -2.355 1.390 0.405) 2.764 25.782 ( 4.393 -2.647 -11.062) 12.193 26.096 ( 8.432 4.275 -0.449) 9.465 26.508 ( 11.704 15.807 -37.716) 42.536 27.354 ( 5.702 2.542 -1.646) 6.456 29.057 ( -16.552 -15.229 38.143) 44.281 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 20.745 15.672 11.197) 28.308 2.744 ( 39.068 7.080 14.719) 42.344 3.366 ( -9.021 -8.022 12.097) 17.089 3.605 ( 2.404 35.203 8.818) 36.371 3.981 ( 1.723 -0.444 3.521) 3.945 4.268 ( 6.467 -2.370 0.240) 6.892 4.498 ( 2.540 13.236 -0.089) 13.477 5.226 ( -13.541 -4.061 -4.609) 14.869 5.629 ( 4.293 1.602 -7.453) 8.749 5.785 ( -3.602 1.867 -5.968) 7.217 6.176 ( 0.512 0.130 7.865) 7.883 6.683 ( -7.496 -8.976 -4.484) 12.525 8.061 ( 5.118 6.642 -2.160) 8.659 8.302 ( 8.914 6.339 -3.458) 11.471 8.438 ( 0.951 2.085 -12.110) 12.325 8.632 ( -3.837 -7.236 5.170) 9.686 8.809 ( -0.248 -0.254 9.797) 9.804 9.108 ( 1.422 -1.656 17.047) 17.186 9.627 ( -10.227 -14.785 -1.825) 18.070 9.753 ( -6.079 -19.173 16.428) 25.970 12.935 ( 13.114 -1.965 -0.588) 13.273 13.495 ( 0.401 7.009 -14.542) 16.148 13.738 ( 11.661 12.899 -7.819) 19.066 13.976 ( 1.256 -7.448 5.699) 9.462 14.406 ( -14.295 4.677 -0.401) 15.046 14.882 ( -7.767 -9.857 -26.152) 29.007 16.551 ( 3.191 2.087 8.746) 9.541 17.012 ( -11.049 -0.879 23.541) 26.020 24.379 ( -1.557 0.597 -0.508) 1.743 24.625 ( -7.067 -5.820 -4.367) 10.144 25.282 ( 2.716 3.245 3.678) 5.607 25.676 ( -3.122 -6.568 1.425) 7.410 26.425 ( 17.616 0.095 -9.083) 19.820 26.908 ( 6.433 5.402 -30.852) 31.975 27.516 ( 8.739 -1.853 1.726) 9.098 28.521 ( -21.613 0.114 28.215) 35.542 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 1.331 -1.331 12.116) 12.261 2.965 ( -2.518 2.518 14.286) 14.723 3.554 ( 12.968 -12.968 0.721) 18.354 3.654 ( 13.467 -13.467 8.038) 20.672 4.126 ( -5.492 5.492 0.470) 7.781 4.252 ( -6.382 6.382 9.799) 13.322 4.791 ( -3.861 3.861 -2.969) 6.216 4.866 ( -7.176 7.176 0.908) 10.189 5.750 ( -0.484 0.484 -11.337) 11.358 5.766 ( -1.370 1.370 -14.157) 14.289 6.236 ( 4.217 -4.217 5.486) 8.104 6.408 ( -3.910 3.910 9.438) 10.938 8.278 ( 1.157 -1.157 0.030) 1.636 8.361 ( -2.148 2.148 4.423) 5.366 8.478 ( 0.702 -0.702 -9.729) 9.780 8.518 ( -0.956 0.956 -6.288) 6.432 9.017 ( 4.059 -4.059 2.916) 6.439 9.066 ( 2.040 -2.040 7.930) 8.438 9.332 ( 3.283 -3.283 15.669) 16.343 9.352 ( 1.906 -1.906 13.433) 13.701 13.121 ( 10.078 -10.078 -6.730) 15.762 13.393 ( 3.238 -3.238 3.696) 5.884 13.963 ( -2.308 2.308 -9.124) 9.690 14.260 ( -7.207 7.207 -5.485) 11.574 14.358 ( -1.193 1.193 -9.007) 9.163 14.442 ( -2.441 2.441 -14.949) 15.343 16.637 ( 2.957 -2.957 10.030) 10.867 16.852 ( -7.751 7.751 18.306) 21.337 24.416 ( -0.292 0.292 -3.345) 3.371 24.441 ( -1.464 1.464 -2.503) 3.248 25.448 ( 1.207 -1.207 3.862) 4.223 25.468 ( 0.393 -0.393 5.186) 5.216 26.653 ( 11.989 -11.989 -19.714) 26.003 27.005 ( 1.216 -1.216 -19.715) 19.790 27.592 ( 8.829 -8.829 6.065) 13.881 28.280 ( -18.212 18.212 22.005) 33.876 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.000 5.043 22.465) 23.024 2.302 ( 0.000 30.284 21.736) 37.277 3.317 ( 0.000 22.564 35.806) 42.323 3.667 ( 0.000 3.466 -6.293) 7.184 4.007 ( -0.000 -1.628 17.557) 17.633 4.028 ( 0.000 10.851 4.022) 11.573 4.120 ( 0.000 13.703 3.114) 14.053 5.239 ( 0.000 -0.898 -8.066) 8.116 5.431 ( 0.000 3.314 -6.471) 7.270 6.240 ( -0.000 -0.260 5.048) 5.055 6.293 ( -0.000 2.777 7.295) 7.806 6.332 ( 0.000 -1.472 -12.508) 12.595 7.756 ( 0.000 7.673 5.382) 9.372 8.080 ( 0.000 -0.910 -3.139) 3.268 8.263 ( 0.000 1.670 -7.448) 7.633 8.933 ( -0.000 -7.228 4.283) 8.401 9.232 ( -0.000 -7.484 10.012) 12.500 9.463 ( -0.000 -4.184 10.417) 11.226 10.031 ( -0.000 -10.500 -6.950) 12.591 10.590 ( -0.000 -22.526 2.526) 22.667 12.625 ( 0.000 12.951 -8.214) 15.336 12.771 ( -0.000 -1.108 5.638) 5.746 13.421 ( 0.000 14.657 -2.199) 14.821 14.175 ( -0.000 -10.227 -22.694) 24.892 14.507 ( 0.000 -5.020 -15.898) 16.672 14.568 ( 0.000 2.496 -6.222) 6.704 16.783 ( -0.000 -9.562 13.158) 16.266 17.929 ( -0.000 -1.165 25.072) 25.099 24.556 ( -0.000 -0.967 3.833) 3.953 24.931 ( -0.000 -7.922 -0.872) 7.970 25.231 ( 0.000 1.287 -3.094) 3.351 25.289 ( 0.000 15.936 -19.798) 25.415 25.875 ( 0.000 4.033 -9.294) 10.131 26.110 ( 0.000 2.756 -0.929) 2.908 27.224 ( 0.000 4.126 -4.735) 6.281 29.820 ( -0.000 -19.553 19.787) 27.818 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 38.319 5.871 13.798) 41.148 2.827 ( 5.868 16.994 23.811) 29.836 3.682 ( -1.929 6.360 8.264) 10.605 3.746 ( -0.796 4.508 -3.367) 5.683 4.140 ( 5.559 -0.224 2.543) 6.117 4.184 ( 2.364 13.627 26.490) 29.883 4.441 ( 2.340 14.350 0.090) 14.540 5.242 ( -0.758 0.448 -8.208) 8.255 5.437 ( -1.979 1.216 -6.743) 7.132 5.922 ( -15.293 -4.666 -3.287) 16.323 6.287 ( 1.548 -1.403 5.107) 5.518 6.561 ( 8.304 0.425 -4.282) 9.353 7.939 ( 2.434 7.507 1.232) 7.987 8.183 ( 3.583 5.988 0.924) 7.039 8.289 ( -0.966 3.811 -3.815) 5.478 8.755 ( 0.836 -9.192 4.716) 10.365 9.068 ( -5.154 -4.733 8.364) 10.906 9.355 ( 1.095 -5.885 9.755) 11.445 9.746 ( -5.318 -11.199 -1.468) 12.484 10.125 ( 0.586 -22.697 12.951) 26.138 12.783 ( 4.217 -0.913 3.516) 5.566 13.027 ( 7.868 15.839 -15.449) 23.483 13.619 ( -2.580 4.958 -2.221) 6.015 13.923 ( -0.169 -10.534 -13.084) 16.798 14.382 ( -2.580 -3.864 -17.273) 17.887 14.610 ( -2.196 2.626 -6.283) 7.155 16.701 ( 1.896 -0.903 10.688) 10.893 17.771 ( -12.623 -0.614 23.671) 26.834 24.465 ( -5.409 -0.614 2.092) 5.832 24.690 ( -7.955 -5.751 -3.050) 10.279 25.300 ( 3.177 2.492 1.882) 4.455 25.565 ( 7.487 1.187 -8.352) 11.279 26.125 ( 1.854 -2.133 -1.259) 3.094 26.141 ( 12.764 5.964 -21.747) 25.912 27.341 ( 6.093 0.788 -3.130) 6.895 29.399 ( -14.615 -5.827 20.482) 25.827 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 35.582 7.184 8.198) 37.214 3.233 ( 11.644 2.328 14.552) 18.782 3.420 ( -8.991 -7.752 6.519) 13.544 3.800 ( 1.193 -18.250 10.087) 20.886 4.116 ( 3.538 3.815 -3.609) 6.333 4.570 ( 2.170 9.669 19.519) 21.891 4.736 ( 0.035 11.128 -3.406) 11.637 5.138 ( -12.382 2.871 -1.105) 12.758 5.473 ( -0.415 4.171 -13.816) 14.438 5.632 ( -7.283 0.281 -5.692) 9.247 6.269 ( 3.044 -4.539 5.552) 7.790 6.637 ( -1.386 1.800 4.070) 4.661 8.125 ( 5.748 2.627 -5.332) 8.268 8.286 ( 0.903 -5.619 -2.643) 6.275 8.440 ( 2.710 11.847 1.960) 12.310 8.703 ( -4.753 1.280 8.877) 10.150 8.865 ( 2.397 -4.737 0.466) 5.329 9.224 ( -1.850 -9.775 3.650) 10.597 9.532 ( 2.980 -1.940 14.163) 14.603 9.736 ( -0.238 -15.758 17.210) 23.336 12.869 ( 7.089 -2.971 1.161) 7.774 13.416 ( 2.259 -0.580 -0.852) 2.483 13.555 ( 9.311 -0.351 -17.910) 20.189 13.826 ( -3.702 -1.305 -22.592) 22.930 14.293 ( -4.868 3.267 -9.388) 11.069 14.577 ( -6.570 4.047 -0.816) 7.759 16.770 ( 4.548 -0.642 10.766) 11.705 17.503 ( -16.035 6.116 19.940) 26.308 24.379 ( -2.961 1.270 -1.041) 3.386 24.467 ( -5.940 -1.205 -3.311) 6.906 25.439 ( 5.320 1.824 4.264) 7.057 25.612 ( 0.771 -3.776 3.684) 5.331 26.136 ( 6.710 -5.555 -10.064) 13.310 26.451 ( 11.354 -2.149 -21.356) 24.282 27.460 ( 9.883 -6.039 0.299) 11.586 29.075 ( -20.172 10.442 17.186) 28.483 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -17.994 17.994 19.646) 32.148 1.674 ( -23.196 23.196 17.387) 37.127 3.051 ( -6.983 6.983 49.434) 50.410 3.721 ( -5.179 5.179 4.505) 8.599 3.807 ( -5.991 5.991 -5.140) 9.909 3.980 ( -8.523 8.523 4.528) 12.876 4.034 ( 1.968 -1.968 15.269) 15.520 5.290 ( -0.067 0.067 -4.142) 4.143 5.329 ( -1.490 1.490 -9.248) 9.485 6.117 ( 5.379 -5.379 5.459) 9.363 6.266 ( -1.052 1.052 6.574) 6.740 6.450 ( -7.963 7.963 -4.879) 12.273 7.671 ( -3.925 3.925 5.075) 7.521 8.164 ( 1.620 -1.620 -4.923) 5.430 8.191 ( 1.319 -1.319 -9.361) 9.546 9.007 ( 0.909 -0.909 2.518) 2.827 9.332 ( 8.138 -8.138 10.839) 15.809 9.495 ( 2.105 -2.105 11.325) 11.710 10.139 ( 5.962 -5.962 -8.389) 11.894 10.865 ( 8.375 -8.375 -9.628) 15.264 12.509 ( -3.520 3.520 -1.081) 5.094 12.828 ( -1.706 1.706 4.152) 4.802 13.183 ( -7.543 7.543 0.427) 10.675 14.271 ( 3.351 -3.351 -30.065) 30.436 14.550 ( -0.769 0.769 -13.362) 13.406 14.556 ( 0.244 -0.244 -5.220) 5.231 16.953 ( 9.186 -9.186 11.697) 17.480 17.885 ( 5.124 -5.124 26.781) 27.744 24.520 ( 2.611 -2.611 3.018) 4.768 24.991 ( 6.576 -6.576 -3.641) 9.988 25.120 ( -17.014 17.014 -18.004) 30.051 25.224 ( -1.076 1.076 0.356) 1.563 25.907 ( -5.366 5.366 -2.870) 8.113 26.040 ( -3.003 3.003 -3.984) 5.823 27.184 ( -4.770 4.770 -5.711) 8.839 30.052 ( 19.070 -19.070 16.064) 31.391 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -0.000 3.249 14.740) 15.093 3.180 ( 0.000 17.886 14.802) 23.216 3.553 ( 0.000 1.561 -9.015) 9.149 3.824 ( 0.000 2.561 2.333) 3.465 4.183 ( -0.000 -1.424 4.943) 5.144 4.430 ( 0.000 10.196 1.601) 10.321 4.721 ( 0.000 11.632 25.140) 27.700 5.105 ( 0.000 -0.970 -3.505) 3.636 5.387 ( 0.000 0.595 -2.677) 2.742 6.008 ( -0.000 -7.297 -7.281) 10.308 6.307 ( -0.000 -1.180 3.293) 3.498 6.460 ( 0.000 2.810 3.119) 4.198 7.954 ( 0.000 3.267 0.176) 3.272 8.190 ( 0.000 9.137 2.676) 9.521 8.267 ( 0.000 5.936 1.123) 6.042 8.807 ( -0.000 -10.431 1.553) 10.546 9.274 ( -0.000 -2.909 5.383) 6.119 9.429 ( -0.000 -9.323 -0.678) 9.347 9.795 ( -0.000 -3.938 1.163) 4.106 10.232 ( -0.000 -13.223 0.044) 13.224 12.707 ( 0.000 9.360 -7.003) 11.690 12.856 ( -0.000 -0.960 4.618) 4.716 13.505 ( 0.000 -0.029 -18.304) 18.304 13.664 ( 0.000 0.457 -1.254) 1.335 14.219 ( -0.000 -4.885 -3.800) 6.189 14.498 ( 0.000 2.021 -5.127) 5.511 16.858 ( -0.000 -2.621 6.417) 6.932 18.283 ( -0.000 -0.902 12.835) 12.867 24.606 ( -0.000 -0.916 2.972) 3.110 24.827 ( -0.000 -5.672 4.026) 6.956 25.199 ( 0.000 1.285 -2.642) 2.938 25.229 ( 0.000 9.896 -13.143) 16.452 25.716 ( 0.000 -1.629 -6.451) 6.653 26.141 ( -0.000 0.135 0.603) 0.618 27.205 ( 0.000 1.703 -3.127) 3.560 29.843 ( -0.000 -6.588 9.271) 11.373 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 33.733 3.433 9.453) 35.200 3.333 ( -2.825 2.679 1.511) 4.176 3.621 ( -0.560 -11.399 0.486) 11.423 3.801 ( 6.060 1.952 -1.363) 6.511 4.070 ( 2.005 -11.443 9.862) 15.239 4.613 ( 1.132 5.975 -5.998) 8.541 4.940 ( 0.918 7.355 15.940) 17.579 5.161 ( 1.340 5.054 -4.533) 6.920 5.360 ( -5.116 3.149 -4.735) 7.649 5.798 ( -11.512 1.763 -1.063) 11.695 6.313 ( 2.741 -3.019 4.276) 5.909 6.602 ( 5.642 3.102 -0.738) 6.480 7.976 ( -0.070 0.507 -3.189) 3.230 8.258 ( -0.481 -7.534 -0.963) 7.611 8.398 ( 3.675 5.992 -0.234) 7.033 8.760 ( 3.119 4.393 4.367) 6.935 9.101 ( -8.668 -3.352 6.218) 11.182 9.307 ( 0.898 -5.368 4.413) 7.007 9.726 ( 0.631 -2.264 7.777) 8.125 9.993 ( 2.572 -12.616 11.857) 17.503 12.862 ( 2.625 -0.587 5.467) 6.093 12.963 ( 4.932 8.910 -16.780) 19.629 13.404 ( 0.532 -8.505 -10.385) 13.434 13.560 ( -3.035 -5.851 -3.229) 7.340 14.242 ( -1.777 6.182 -3.662) 7.402 14.553 ( 0.568 2.399 -5.692) 6.203 16.874 ( 2.493 0.867 6.611) 7.118 18.146 ( -13.373 2.952 11.960) 18.182 24.506 ( -6.720 0.370 2.348) 7.128 24.579 ( -9.554 -2.623 0.604) 9.926 25.314 ( 7.445 -0.811 -4.223) 8.598 25.552 ( 9.654 5.281 0.626) 11.021 25.769 ( 9.961 -3.142 -14.133) 17.573 26.086 ( -0.338 -4.733 1.596) 5.006 27.262 ( 6.285 -2.991 -2.394) 7.361 29.689 ( -13.019 5.425 9.571) 17.045 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 17.889 -17.889 3.029) 25.479 2.982 ( 15.598 -15.598 5.995) 22.859 3.414 ( -2.936 2.936 -5.210) 6.662 3.933 ( 4.503 -4.503 11.595) 13.229 3.967 ( 4.360 -4.360 -0.477) 6.185 4.689 ( -0.394 0.394 -10.271) 10.286 5.007 ( 1.137 -1.137 12.524) 12.626 5.277 ( -7.575 7.575 -0.602) 10.729 5.327 ( -3.957 3.957 -9.180) 10.752 5.694 ( -9.985 9.985 1.486) 14.199 6.303 ( 3.010 -3.010 6.099) 7.437 6.702 ( 0.935 -0.935 -0.893) 1.596 8.045 ( 3.987 -3.987 -4.579) 7.264 8.064 ( 2.122 -2.122 -3.664) 4.736 8.542 ( 6.450 -6.450 -6.631) 11.277 8.876 ( -5.590 5.590 8.197) 11.389 8.955 ( -4.728 4.728 8.178) 10.564 9.231 ( -0.138 0.138 7.289) 7.292 9.728 ( 3.871 -3.871 9.267) 10.763 9.871 ( 5.691 -5.691 18.137) 19.842 12.897 ( 2.491 -2.491 6.129) 7.070 13.142 ( 3.137 -3.137 -19.220) 19.725 13.326 ( 0.816 -0.816 -14.523) 14.569 13.408 ( 2.448 -2.448 0.542) 3.505 14.296 ( -5.275 5.275 -3.220) 8.125 14.588 ( -1.430 1.430 -4.853) 5.257 16.927 ( 1.955 -1.955 7.625) 8.111 18.008 ( -12.773 12.773 10.384) 20.835 24.431 ( -4.087 4.087 2.302) 6.222 24.450 ( -3.536 3.536 -1.324) 5.173 25.387 ( 5.266 -5.266 -4.295) 8.597 25.692 ( 1.914 -1.914 4.454) 5.212 25.936 ( 2.444 -2.444 -0.554) 3.501 25.966 ( 9.938 -9.938 -12.699) 18.942 27.302 ( 7.611 -7.611 -1.447) 10.861 29.601 ( -15.118 15.118 8.996) 23.195 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -2.634 32.691 15.180) 36.140 2.692 ( -32.576 2.898 14.772) 35.886 3.482 ( -3.885 -2.409 -2.973) 5.453 3.785 ( -3.782 6.395 -3.202) 8.090 4.213 ( 1.101 0.522 6.474) 6.588 4.262 ( -9.744 4.170 7.185) 12.805 4.497 ( -12.875 4.218 30.418) 33.299 5.181 ( 3.740 1.765 -1.140) 4.290 5.315 ( -1.589 -3.863 -0.043) 4.177 6.025 ( 8.597 -10.489 -1.547) 13.650 6.416 ( 0.823 4.907 2.481) 5.560 6.465 ( -3.112 4.208 1.009) 5.330 7.858 ( -5.016 0.672 3.297) 6.040 8.046 ( -3.064 -0.487 -2.969) 4.294 8.185 ( -5.817 3.561 1.925) 7.087 9.005 ( 5.991 0.677 1.817) 6.296 9.286 ( 7.029 -7.455 2.347) 10.512 9.583 ( 5.569 -1.239 0.783) 5.758 9.850 ( 4.830 -3.429 -4.181) 7.250 10.462 ( 6.246 1.143 -13.272) 14.713 12.609 ( -4.528 3.400 2.132) 6.050 12.897 ( 0.315 2.177 2.350) 3.219 13.377 ( -8.488 -0.057 -0.951) 8.541 13.641 ( 0.902 -1.228 -22.904) 22.954 14.376 ( 6.124 1.246 -3.115) 6.982 14.466 ( -1.662 -0.368 -3.256) 3.674 16.965 ( 5.903 -0.204 5.658) 8.179 18.194 ( 4.664 -11.031 13.982) 18.410 24.524 ( 1.449 -6.664 1.495) 6.981 24.761 ( 6.521 -10.918 -3.765) 13.263 25.167 ( -11.019 11.953 -7.507) 17.906 25.315 ( -2.944 7.582 4.423) 9.258 25.851 ( 1.650 8.908 -6.012) 10.873 26.069 ( -5.137 -1.757 -2.400) 5.936 27.199 ( -6.348 6.887 -4.265) 10.291 29.929 ( 15.450 -13.518 8.011) 22.036 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.000 0.140 -1.857) 1.862 3.386 ( -0.000 -10.502 -6.163) 12.177 3.456 ( 0.000 -0.019 -0.541) 0.541 3.816 ( -0.000 -6.336 2.360) 6.761 4.208 ( -0.000 -1.383 3.647) 3.901 4.488 ( -0.000 -2.746 -4.346) 5.141 5.050 ( -0.000 -2.820 -5.850) 6.494 5.085 ( 0.000 3.620 -1.121) 3.790 5.360 ( 0.000 1.384 -0.362) 1.431 5.923 ( 0.000 5.820 1.615) 6.040 6.331 ( -0.000 -0.660 1.087) 1.272 6.509 ( 0.000 0.619 -1.924) 2.021 7.953 ( -0.000 -1.037 -0.519) 1.160 8.239 ( -0.000 -8.598 -2.072) 8.844 8.316 ( -0.000 -4.007 -2.824) 4.903 8.801 ( 0.000 9.123 2.080) 9.357 9.312 ( -0.000 -0.599 1.829) 1.924 9.365 ( 0.000 4.109 4.643) 6.200 9.803 ( -0.000 -0.032 1.374) 1.374 10.149 ( -0.000 -1.373 7.363) 7.490 12.690 ( 0.000 1.051 -5.483) 5.583 12.900 ( -0.000 -0.074 0.606) 0.611 13.287 ( -0.000 0.038 1.874) 1.874 13.631 ( -0.000 -8.632 3.086) 9.167 14.196 ( 0.000 6.762 -1.424) 6.910 14.455 ( 0.000 0.166 -1.231) 1.242 16.920 ( 0.000 2.100 0.299) 2.122 18.412 ( 0.000 1.323 -0.167) 1.333 24.632 ( -0.000 -0.062 0.594) 0.598 24.836 ( -0.000 -3.956 6.020) 7.204 25.141 ( 0.000 2.435 -7.967) 8.331 25.179 ( 0.000 0.301 -0.916) 0.964 25.648 ( -0.000 0.498 1.472) 1.554 26.135 ( -0.000 -2.461 1.151) 2.717 27.168 ( -0.000 -2.435 0.309) 2.454 29.928 ( 0.000 5.251 0.583) 5.284 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 31.817 0.168 -5.374) 32.268 2.935 ( 0.485 -32.212 -8.637) 33.354 3.425 ( -2.498 -1.944 0.523) 3.209 3.728 ( 5.764 -5.448 0.372) 7.940 4.205 ( 0.181 0.258 8.097) 8.103 4.433 ( 3.135 -4.964 -10.521) 12.048 4.965 ( 3.260 -7.084 -13.140) 15.279 5.214 ( 0.343 7.031 -4.189) 8.191 5.357 ( -4.283 2.230 -3.762) 6.121 5.972 ( -9.944 9.636 3.462) 14.273 6.360 ( 3.273 -1.265 4.488) 5.697 6.569 ( 3.947 -0.539 -5.316) 6.643 7.910 ( 0.370 -2.070 -2.379) 3.175 8.033 ( -1.882 -6.119 -1.576) 6.593 8.265 ( 6.318 -7.331 -5.592) 11.177 9.001 ( 1.011 6.174 2.351) 6.683 9.253 ( -7.227 4.789 5.664) 10.356 9.467 ( -2.826 6.016 10.121) 12.108 9.802 ( 0.520 -0.802 3.120) 3.263 10.135 ( 3.876 -4.078 18.002) 18.861 12.756 ( 2.363 1.510 -12.349) 12.663 12.918 ( 1.881 -0.767 0.702) 2.150 13.279 ( -0.650 0.653 6.387) 6.453 13.402 ( 0.052 -9.827 3.030) 10.284 14.335 ( -1.273 5.507 0.050) 5.653 14.477 ( 1.120 0.265 -4.173) 4.329 16.996 ( 0.933 2.732 2.261) 3.667 18.350 ( -10.945 6.587 -1.711) 12.888 24.539 ( -6.319 1.141 -0.022) 6.421 24.651 ( -8.050 2.060 6.624) 10.626 25.158 ( 6.124 -4.298 -5.063) 9.033 25.445 ( 11.847 -3.461 -8.969) 15.257 25.740 ( 7.396 2.906 5.553) 9.694 26.013 ( -2.244 -7.050 3.215) 8.067 27.147 ( 5.429 -5.601 0.248) 7.804 29.988 ( -11.515 12.623 1.780) 17.178 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 0.095 32.180 1.914) 32.237 3.285 ( -3.781 -4.000 3.456) 6.499 3.597 ( -10.722 7.024 2.077) 12.985 3.808 ( -2.231 -0.128 -1.507) 2.695 4.226 ( -2.121 1.883 -3.760) 4.710 4.511 ( -2.197 2.114 4.036) 5.059 5.064 ( -2.169 1.225 5.598) 6.128 5.100 ( 3.494 1.194 1.096) 3.851 5.311 ( 1.574 -4.469 0.261) 4.745 5.804 ( 5.496 -10.461 -1.542) 11.917 6.383 ( -0.759 4.039 -2.161) 4.643 6.564 ( 0.530 4.708 2.514) 5.363 7.937 ( -0.687 -0.504 0.574) 1.027 8.229 ( -11.180 -0.521 1.957) 11.362 8.366 ( -0.536 4.317 2.857) 5.205 8.820 ( 7.907 1.764 -1.661) 8.270 9.194 ( 2.108 -9.195 -2.718) 9.817 9.386 ( 1.635 -0.658 -3.663) 4.065 9.817 ( -0.535 1.786 -0.835) 2.043 10.183 ( -1.005 2.673 -7.309) 7.847 12.733 ( 0.665 4.162 5.351) 6.812 12.932 ( -0.440 3.072 -0.101) 3.105 13.267 ( 0.377 -1.862 -2.545) 3.175 13.587 ( -6.709 -4.174 -1.725) 8.088 14.215 ( 4.973 1.953 -0.244) 5.348 14.472 ( 0.139 1.316 1.558) 2.044 16.944 ( 1.768 2.418 -0.195) 3.002 18.262 ( 2.145 -14.036 0.335) 14.203 24.527 ( 0.179 -8.062 0.181) 8.066 24.619 ( 0.906 -13.304 -2.442) 13.556 25.243 ( -3.092 10.407 0.730) 10.881 25.484 ( -0.493 17.777 6.028) 18.778 25.684 ( 1.851 3.799 -3.506) 5.491 26.112 ( -2.464 -2.266 -1.016) 3.499 27.251 ( -3.526 8.896 -0.955) 9.616 29.785 ( 6.001 -13.869 -0.188) 15.112 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -16.207 16.207 9.362) 24.759 3.021 ( -17.839 17.839 3.069) 25.414 3.391 ( -0.808 0.808 -3.305) 3.497 3.834 ( -3.659 3.659 1.667) 5.437 4.223 ( -2.057 2.057 -6.977) 7.559 4.508 ( -3.794 3.794 7.794) 9.462 5.043 ( -3.806 3.806 10.212) 11.544 5.192 ( 3.015 -3.015 3.697) 5.644 5.266 ( 3.954 -3.954 1.002) 5.681 5.744 ( 11.876 -11.876 -3.292) 17.114 6.421 ( -2.703 2.703 -5.669) 6.837 6.637 ( -2.013 2.013 5.470) 6.166 7.972 ( -4.681 4.681 3.090) 7.306 8.019 ( -2.603 2.603 0.691) 3.745 8.411 ( -7.249 7.249 6.347) 12.058 8.984 ( 4.984 -4.984 -2.503) 7.479 9.082 ( 7.398 -7.398 -4.211) 11.279 9.387 ( 4.505 -4.505 -8.364) 10.514 9.834 ( -2.644 2.644 -1.034) 3.880 10.202 ( -2.223 2.223 -14.936) 15.263 12.811 ( -2.588 2.588 11.340) 11.916 12.964 ( -2.538 2.538 1.014) 3.729 13.258 ( 1.619 -1.619 -9.664) 9.932 13.422 ( -2.263 2.263 0.898) 3.324 14.306 ( 1.651 -1.651 -3.692) 4.368 14.490 ( -0.131 0.131 4.444) 4.448 17.015 ( -0.666 0.666 -0.889) 1.294 18.097 ( 12.536 -12.536 1.496) 17.791 24.429 ( 4.206 -4.206 0.837) 6.007 24.494 ( 6.557 -6.557 -3.661) 9.970 25.325 ( -8.916 8.916 0.398) 12.616 25.611 ( -5.794 5.794 9.718) 12.712 25.908 ( -3.407 3.407 -4.493) 6.588 25.961 ( -0.496 0.496 -2.439) 2.538 27.323 ( -11.765 11.765 -2.928) 16.893 29.688 ( 16.816 -16.816 0.172) 23.782 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 -2.484 -17.627) 17.801 2.668 ( -0.000 -32.850 -16.111) 36.588 3.528 ( -0.000 -0.685 6.771) 6.805 3.691 ( -0.000 -7.834 -1.994) 8.084 4.210 ( 0.000 1.999 -7.712) 7.967 4.217 ( -0.000 -10.584 -6.927) 12.650 4.459 ( -0.000 -14.420 -29.579) 32.907 5.159 ( 0.000 3.816 0.341) 3.832 5.358 ( -0.000 -2.323 0.403) 2.357 6.180 ( 0.000 7.934 5.047) 9.403 6.317 ( 0.000 -0.041 -2.095) 2.095 6.417 ( 0.000 -1.644 -5.649) 5.884 7.858 ( -0.000 -5.769 -4.289) 7.188 8.042 ( -0.000 -3.884 0.511) 3.918 8.162 ( -0.000 -4.104 2.028) 4.578 8.993 ( 0.000 5.695 -1.538) 5.899 9.365 ( 0.000 7.621 -2.933) 8.166 9.596 ( 0.000 6.592 -1.481) 6.756 9.889 ( 0.000 5.377 6.294) 8.278 10.438 ( -0.000 5.939 15.354) 16.463 12.576 ( -0.000 -2.617 -3.098) 4.055 12.873 ( 0.000 0.708 -3.877) 3.942 13.382 ( -0.000 -10.765 2.945) 11.160 13.654 ( -0.000 0.391 21.850) 21.854 14.363 ( 0.000 6.442 3.498) 7.330 14.463 ( -0.000 -1.433 3.432) 3.719 16.966 ( 0.000 7.676 -5.041) 9.183 18.317 ( 0.000 2.590 -13.832) 14.072 24.622 ( 0.000 0.705 -2.336) 2.440 24.914 ( -0.000 -0.465 6.813) 6.829 25.031 ( -0.000 -5.799 0.263) 5.805 25.180 ( -0.000 -0.639 1.489) 1.620 25.749 ( -0.000 1.653 4.530) 4.823 26.087 ( -0.000 -5.170 1.784) 5.469 27.131 ( -0.000 -5.153 3.971) 6.506 30.072 ( 0.000 15.067 -6.688) 16.485 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 15.476 -15.476 -17.681) 28.137 2.017 ( 19.397 -19.397 -16.202) 31.859 3.468 ( -1.995 1.995 0.694) 2.906 3.684 ( 5.977 -5.977 6.378) 10.589 4.087 ( 6.336 -6.336 -12.527) 15.402 4.256 ( 9.515 -9.515 -35.314) 37.791 4.260 ( -2.004 2.004 -5.788) 6.445 5.246 ( -1.127 1.127 -0.835) 1.799 5.284 ( 0.061 -0.061 -3.094) 3.095 6.176 ( -6.685 6.685 -0.634) 9.475 6.397 ( 3.548 -3.548 2.252) 5.499 6.406 ( 1.729 -1.729 -7.215) 7.618 7.780 ( 2.592 -2.592 -5.409) 6.534 8.045 ( -1.260 1.260 5.109) 5.411 8.097 ( 2.108 -2.108 1.297) 3.251 9.041 ( 0.719 -0.719 -0.664) 1.215 9.468 ( -9.095 9.095 -2.438) 13.091 9.659 ( -2.390 2.390 -4.014) 5.248 9.947 ( -4.119 4.119 10.305) 11.837 10.493 ( 2.404 -2.404 24.138) 24.376 12.589 ( -2.026 2.026 -7.815) 8.323 12.896 ( 0.535 -0.535 -2.171) 2.299 13.212 ( 6.984 -6.984 -1.661) 10.016 13.658 ( -0.638 0.638 26.322) 26.338 14.438 ( 0.120 -0.120 1.417) 1.427 14.444 ( -0.108 0.108 4.665) 4.667 17.077 ( -4.372 4.372 -1.547) 6.373 18.312 ( -6.286 6.286 -15.821) 18.148 24.569 ( -3.185 3.185 -1.589) 4.777 24.859 ( 3.010 -3.010 10.169) 11.024 24.991 ( -0.472 0.472 -3.450) 3.514 25.252 ( 3.764 -3.764 -2.873) 6.049 25.844 ( 3.881 -3.881 3.714) 6.627 25.965 ( 2.735 -2.735 3.762) 5.396 27.080 ( 4.616 -4.616 3.996) 7.654 30.235 ( -12.988 12.988 -3.766) 18.749 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 3.307 33.400 -12.354) 35.765 3.166 ( 14.330 -0.024 -10.627) 17.840 3.621 ( 8.060 5.055 5.158) 10.823 3.810 ( -1.515 -1.414 -2.409) 3.178 4.213 ( -0.867 3.060 -3.924) 5.051 4.456 ( 9.025 2.342 -1.619) 9.464 4.736 ( 11.097 1.636 -24.975) 27.378 5.127 ( -1.135 1.754 3.568) 4.135 5.336 ( 0.554 -4.963 2.806) 5.728 5.853 ( -7.038 -11.659 3.220) 13.994 6.374 ( -2.887 4.329 -3.084) 6.048 6.532 ( 3.560 5.472 -0.285) 6.535 7.944 ( 2.867 -0.104 0.697) 2.952 8.192 ( 10.651 0.031 -1.215) 10.720 8.300 ( 4.283 3.540 -3.168) 6.396 8.821 ( -9.407 1.200 -1.694) 9.633 9.189 ( -4.278 -7.805 -3.438) 9.542 9.442 ( -7.740 0.218 0.881) 7.793 9.774 ( -2.796 -1.292 -3.729) 4.837 10.259 ( -12.916 1.737 -0.655) 13.049 12.757 ( 9.310 4.699 6.732) 12.413 12.887 ( -0.541 3.067 -2.800) 4.188 13.487 ( 0.743 -1.709 15.687) 15.798 13.632 ( -0.421 -2.790 5.073) 5.805 14.232 ( -5.707 1.418 2.015) 6.217 14.505 ( 2.257 0.195 4.262) 4.827 16.880 ( -2.075 2.170 -6.567) 7.221 18.134 ( -1.342 -13.871 -12.580) 18.774 24.506 ( -0.427 -7.717 -1.784) 7.932 24.650 ( -4.510 -11.661 1.167) 12.557 25.309 ( 2.074 9.520 3.976) 10.523 25.416 ( 7.669 11.144 1.766) 13.643 25.814 ( -1.829 9.100 10.202) 13.792 26.127 ( 0.509 -1.295 0.409) 1.450 27.287 ( 1.525 8.749 2.388) 9.196 29.694 ( -6.496 -14.465 -9.544) 18.507 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 4.427 35.771 -7.595) 36.835 3.327 ( 1.605 2.549 2.994) 4.248 3.544 ( -16.614 -5.812 -6.266) 18.683 3.936 ( 5.874 5.268 2.154) 8.179 4.137 ( -12.815 4.975 -9.070) 16.470 4.636 ( 5.230 0.736 4.292) 6.806 4.961 ( 6.680 0.964 -14.601) 16.085 5.154 ( 2.941 -5.195 -2.065) 6.317 5.244 ( 3.705 -2.669 7.965) 9.181 5.558 ( 2.324 -11.936 2.125) 12.345 6.378 ( -4.287 3.888 -5.231) 7.801 6.679 ( 2.875 1.218 -0.136) 3.125 8.035 ( 1.127 6.899 3.373) 7.761 8.253 ( -11.074 -0.066 1.184) 11.137 8.482 ( 12.469 4.246 -1.095) 13.218 8.850 ( 2.855 5.463 -2.806) 6.773 8.876 ( -3.983 -13.244 -3.957) 14.385 9.271 ( -4.231 -4.484 -1.998) 6.481 9.788 ( -1.300 5.900 -9.992) 11.676 10.032 ( -10.502 0.684 -12.366) 16.238 12.934 ( -0.989 4.266 -5.325) 6.895 13.079 ( 7.435 5.635 17.984) 20.260 13.393 ( -4.793 -1.956 18.216) 18.938 13.507 ( -5.038 -1.451 0.739) 5.294 14.219 ( 1.142 0.101 -0.989) 1.514 14.543 ( 2.863 -1.838 2.649) 4.312 16.952 ( -0.355 5.296 -6.765) 8.599 17.810 ( 5.883 -18.576 -10.513) 22.140 24.373 ( 1.678 -5.547 -0.445) 5.812 24.412 ( 0.135 -6.658 2.085) 6.978 25.480 ( -3.363 8.294 0.462) 8.962 25.690 ( 2.182 4.773 -4.627) 6.997 25.963 ( -1.345 5.563 9.951) 11.480 26.099 ( -2.404 2.077 10.049) 10.539 27.499 ( -9.807 18.045 -2.694) 20.713 29.326 ( 9.968 -22.301 -8.153) 25.753 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.000 -2.866 -24.855) 25.019 1.582 ( -0.000 -37.734 -19.676) 42.556 2.988 ( 0.000 -9.825 -57.292) 58.128 3.632 ( -0.000 0.242 3.421) 3.430 3.785 ( -0.000 -10.966 1.338) 11.047 3.877 ( -0.000 -10.257 -4.490) 11.197 4.059 ( 0.000 2.397 -15.571) 15.755 5.265 ( -0.000 1.286 5.795) 5.936 5.338 ( -0.000 -4.948 6.785) 8.397 6.235 ( 0.000 -0.552 -6.107) 6.132 6.255 ( 0.000 -1.108 -6.498) 6.592 6.291 ( -0.000 -4.507 1.022) 4.621 7.631 ( -0.000 -4.449 -5.614) 7.163 8.160 ( 0.000 5.494 7.375) 9.197 8.237 ( -0.000 -0.902 8.482) 8.529 9.011 ( 0.000 1.269 -1.451) 1.927 9.422 ( 0.000 10.027 -11.243) 15.065 9.524 ( 0.000 1.999 -11.004) 11.185 10.200 ( 0.000 6.000 8.846) 10.689 10.930 ( 0.000 9.636 17.600) 20.065 12.505 ( 0.000 3.203 -3.561) 4.790 12.788 ( 0.000 0.615 -5.498) 5.532 13.111 ( -0.000 -16.454 -0.391) 16.459 14.309 ( -0.000 4.087 34.083) 34.327 14.529 ( -0.000 -1.341 5.695) 5.850 14.552 ( -0.000 -1.162 10.856) 10.918 17.057 ( 0.000 15.596 -8.231) 17.635 17.957 ( 0.000 1.871 -26.854) 26.919 24.571 ( 0.000 0.546 -3.829) 3.868 24.860 ( -0.000 -22.633 10.470) 24.937 25.106 ( 0.000 7.903 2.661) 8.338 25.212 ( -0.000 -0.570 2.836) 2.892 25.826 ( -0.000 -1.892 2.399) 3.055 26.016 ( -0.000 -5.449 3.015) 6.228 27.132 ( -0.000 -4.174 5.788) 7.136 30.271 ( 0.000 22.383 -10.573) 24.754 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 5.231 37.122 -16.404) 40.921 2.365 ( 30.766 6.856 -18.806) 36.705 3.308 ( 19.027 0.451 -28.063) 33.908 3.774 ( 0.564 7.837 -2.044) 8.118 3.971 ( 5.124 -2.482 -16.896) 17.829 4.063 ( 8.088 4.209 -2.917) 9.572 4.183 ( 11.358 5.520 -3.684) 13.155 5.257 ( -1.717 0.971 6.392) 6.689 5.397 ( 3.228 -2.726 8.256) 9.274 6.021 ( -4.780 -11.452 -2.207) 12.604 6.289 ( 0.941 1.472 -7.026) 7.240 6.550 ( 1.885 8.963 8.376) 12.412 7.784 ( 7.133 2.899 -3.623) 8.509 8.117 ( -0.051 3.410 2.803) 4.415 8.224 ( 2.664 -2.900 6.626) 7.707 8.937 ( -7.030 -0.072 -4.782) 8.502 9.170 ( -6.451 -6.103 -9.167) 12.763 9.443 ( -3.261 -1.190 -11.310) 11.830 9.971 ( -10.411 -5.811 6.557) 13.607 10.569 ( -20.061 -3.469 -4.413) 20.832 12.685 ( 12.250 6.463 9.321) 16.694 12.838 ( 0.551 5.581 -2.751) 6.246 13.395 ( 12.566 -1.540 1.667) 12.769 14.161 ( -8.711 -1.138 22.408) 24.068 14.490 ( -5.839 -1.906 10.147) 11.861 14.569 ( 1.400 -0.759 9.049) 9.188 16.774 ( -6.847 -0.862 -13.190) 14.886 17.805 ( -2.750 -10.583 -24.845) 27.145 24.483 ( -1.240 -5.157 -2.389) 5.817 24.827 ( -7.909 -8.455 3.852) 12.201 25.254 ( 1.964 2.156 -1.798) 3.426 25.447 ( 11.896 12.372 18.963) 25.577 26.003 ( 5.724 9.991 9.887) 15.177 26.117 ( 2.921 1.108 3.636) 4.793 27.289 ( 4.621 6.521 4.338) 9.094 29.648 ( -18.241 -15.806 -21.190) 32.118 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 9.581 29.851 -11.815) 33.504 3.061 ( 12.659 19.786 -13.820) 27.253 3.604 ( -7.258 -6.111 -10.762) 14.348 3.735 ( 16.474 0.193 -1.104) 16.512 4.206 ( -2.574 3.445 -14.222) 14.858 4.324 ( 10.525 7.752 -11.429) 17.363 4.500 ( 11.379 3.292 -0.533) 11.857 5.149 ( -2.967 -8.727 2.044) 9.441 5.411 ( 2.106 0.291 12.568) 12.747 5.688 ( -5.551 -8.469 4.014) 10.893 6.337 ( -1.472 3.416 -7.851) 8.688 6.621 ( -0.655 -1.882 1.778) 2.671 8.030 ( 7.170 6.927 1.086) 10.028 8.242 ( 6.257 1.779 5.323) 8.405 8.318 ( 3.315 4.084 -2.222) 5.710 8.750 ( -6.875 -3.056 -5.714) 9.448 8.946 ( -3.422 -4.589 -4.608) 7.348 9.392 ( -4.729 1.077 -8.004) 9.359 9.615 ( -7.788 -6.264 -3.663) 10.645 10.086 ( -18.005 -5.233 -14.228) 23.537 12.921 ( -1.922 9.204 0.695) 9.428 13.180 ( 14.850 4.879 15.878) 22.281 13.582 ( 7.546 1.122 7.274) 10.541 13.948 ( -12.186 2.400 13.540) 18.373 14.306 ( -3.614 -4.704 7.526) 9.583 14.519 ( 1.320 -6.843 4.794) 8.458 16.763 ( 0.840 4.435 -11.178) 12.055 17.469 ( -2.597 -15.741 -20.710) 26.142 24.368 ( -0.387 -3.587 0.425) 3.633 24.527 ( -4.779 -7.441 4.806) 10.065 25.382 ( 3.524 4.784 -6.071) 8.495 25.681 ( -2.231 2.563 1.851) 3.869 26.212 ( -1.556 7.281 11.619) 13.799 26.359 ( 9.112 6.658 21.682) 24.444 27.562 ( -0.787 16.181 -1.886) 16.310 29.004 ( -5.318 -23.455 -19.736) 31.112 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -3.027 3.027 -12.374) 13.093 3.228 ( 0.927 -0.927 -10.594) 10.675 3.563 ( -11.717 11.717 0.097) 16.570 3.861 ( -3.840 3.840 -10.460) 11.786 4.160 ( -3.842 3.842 -3.829) 6.647 4.524 ( 7.890 -7.890 -14.313) 18.149 4.752 ( 0.359 -0.359 -1.573) 1.653 4.896 ( 7.436 -7.436 -2.944) 10.920 5.474 ( 0.346 -0.346 14.007) 14.016 5.523 ( 2.829 -2.829 10.574) 11.306 6.357 ( -5.278 5.278 -6.172) 9.686 6.567 ( 4.434 -4.434 -6.304) 8.892 8.256 ( -4.031 4.031 1.734) 5.959 8.314 ( -3.971 3.971 4.627) 7.277 8.477 ( 5.686 -5.686 -4.415) 9.174 8.502 ( 4.588 -4.588 -3.329) 7.292 9.009 ( -5.307 5.307 1.735) 7.703 9.145 ( 1.159 -1.159 -1.793) 2.429 9.674 ( -4.010 4.010 -16.134) 17.102 9.705 ( -2.954 2.954 -18.908) 19.364 13.018 ( -7.193 7.193 3.177) 10.657 13.354 ( 7.996 -7.996 8.246) 13.995 13.744 ( -8.083 8.083 13.947) 18.033 13.828 ( -2.174 2.174 24.846) 25.036 14.217 ( 0.955 -0.955 3.378) 3.638 14.424 ( 7.724 -7.724 -4.321) 11.747 16.879 ( -5.480 5.480 -12.389) 14.613 17.213 ( 11.040 -11.040 -16.634) 22.813 24.348 ( 0.685 -0.685 3.180) 3.324 24.378 ( 2.092 -2.092 3.394) 4.503 25.540 ( -2.474 2.474 -4.827) 5.962 25.595 ( 0.113 -0.113 -7.127) 7.128 26.283 ( -7.178 7.178 16.659) 19.508 26.529 ( 3.021 -3.021 24.065) 24.441 27.783 ( -19.741 19.741 -9.676) 29.548 28.645 ( 20.517 -20.517 -14.595) 32.479 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 -0.000 -28.055) 28.055 0.564 ( 0.000 -0.000 -28.055) 28.055 1.509 ( 0.000 -0.000 -74.185) 74.185 3.643 ( 0.000 -0.000 -3.097) 3.097 3.725 ( -0.000 0.000 1.767) 1.767 3.725 ( -0.000 0.000 1.767) 1.767 3.778 ( 0.000 -0.000 -13.219) 13.219 5.448 ( -0.000 0.000 11.178) 11.178 5.448 ( -0.000 0.000 11.178) 11.178 6.052 ( 0.000 -0.000 -10.519) 10.519 6.052 ( 0.000 -0.000 -10.519) 10.519 6.151 ( 0.000 -0.000 -3.373) 3.373 7.498 ( 0.000 -0.000 -3.163) 3.163 8.411 ( -0.000 0.000 8.845) 8.845 8.411 ( -0.000 0.000 8.845) 8.845 9.013 ( 0.000 -0.000 -0.339) 0.339 9.310 ( 0.000 -0.000 -11.200) 11.200 9.310 ( 0.000 -0.000 -11.200) 11.200 10.402 ( -0.000 0.000 4.795) 4.795 11.502 ( -0.000 0.000 19.860) 19.860 12.599 ( 0.000 -0.000 -5.624) 5.624 12.700 ( 0.000 -0.000 -3.636) 3.636 12.700 ( 0.000 -0.000 -3.636) 3.636 14.618 ( -0.000 0.000 4.132) 4.132 14.618 ( -0.000 0.000 4.132) 4.132 15.191 ( -0.000 0.000 41.410) 41.410 17.260 ( 0.000 -0.000 -0.007) 0.007 17.361 ( 0.000 -0.000 -33.486) 33.486 24.508 ( 0.000 -0.000 -2.710) 2.710 24.508 ( 0.000 -0.000 -2.710) 2.710 25.258 ( -0.000 0.000 2.059) 2.059 25.258 ( -0.000 0.000 2.059) 2.059 25.805 ( -0.000 0.000 0.392) 0.392 26.022 ( -0.000 0.000 2.622) 2.622 27.191 ( -0.000 0.000 4.106) 4.106 30.518 ( 0.000 -0.000 -1.018) 1.018 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 20.716 20.716 -17.019) 33.882 1.371 ( 27.961 27.961 -12.018) 41.328 1.970 ( 20.442 20.442 -51.581) 59.130 3.697 ( 3.640 3.640 -0.460) 5.168 3.717 ( -3.083 -3.083 -12.839) 13.559 3.895 ( 7.678 7.678 2.041) 11.048 3.928 ( 8.023 8.023 -1.308) 11.422 5.445 ( -0.592 -0.592 10.882) 10.914 5.551 ( 1.426 1.426 9.727) 9.933 5.956 ( -4.289 -4.289 -10.510) 12.135 6.164 ( 0.409 0.409 -3.494) 3.542 6.751 ( 13.301 13.301 31.574) 36.753 7.602 ( 5.838 5.838 -0.713) 8.287 8.263 ( -5.075 -5.075 3.888) 8.163 8.393 ( -0.583 -0.583 10.057) 10.090 8.955 ( -2.835 -2.835 -2.335) 4.639 9.025 ( -7.671 -7.671 -22.173) 24.684 9.254 ( -2.614 -2.614 -11.760) 12.327 10.268 ( -6.579 -6.579 4.446) 10.312 10.742 ( -18.275 -18.275 -22.048) 33.971 12.658 ( 11.382 11.382 11.618) 19.851 12.753 ( 2.683 2.683 -2.935) 4.798 13.240 ( 7.582 7.582 7.972) 13.362 14.541 ( -3.566 -3.566 4.986) 7.092 14.592 ( -4.990 -4.990 -3.192) 7.746 15.172 ( -1.331 -1.331 38.301) 38.347 16.595 ( -8.972 -8.972 -23.405) 26.623 17.287 ( -3.628 -3.628 -31.807) 32.218 24.465 ( -1.905 -1.905 -2.211) 3.485 25.081 ( -7.232 -7.232 4.120) 11.027 25.225 ( -0.971 -0.971 0.221) 1.391 25.699 ( 15.525 15.525 37.188) 43.185 25.957 ( 6.986 6.986 1.941) 10.069 26.187 ( 12.304 12.304 19.338) 26.015 27.281 ( 4.171 4.171 3.646) 6.935 29.488 ( -25.535 -25.535 -45.128) 57.798 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 18.310 18.310 -16.394) 30.648 2.491 ( 26.768 26.768 -6.902) 38.480 2.901 ( 23.732 23.732 -23.393) 40.910 3.519 ( -6.906 -6.906 -12.499) 15.863 3.900 ( 5.495 5.495 -1.600) 7.934 4.231 ( 7.134 7.134 2.098) 10.305 4.276 ( 8.319 8.319 -1.164) 11.822 5.331 ( -6.051 -6.051 7.175) 11.167 5.607 ( 1.663 1.663 9.097) 9.396 5.785 ( -2.884 -2.884 -4.012) 5.721 6.174 ( 0.082 0.082 -5.960) 5.961 6.839 ( -5.575 -5.575 12.339) 14.644 7.923 ( 7.759 7.759 6.450) 12.728 8.196 ( 3.428 3.428 0.146) 4.850 8.400 ( 1.232 1.232 12.652) 12.771 8.782 ( -5.894 -5.894 -5.108) 9.776 8.825 ( -2.455 -2.455 -14.168) 14.587 9.142 ( -2.055 -2.055 -15.204) 15.479 9.896 ( -11.564 -11.564 3.329) 16.689 10.107 ( -14.641 -14.641 -17.582) 27.164 12.915 ( 5.342 5.342 -0.997) 7.621 13.235 ( 14.450 14.450 18.611) 27.640 13.492 ( 7.295 7.295 4.630) 11.308 14.264 ( -9.298 -9.298 -11.999) 17.801 14.359 ( -5.183 -5.183 4.706) 8.711 15.040 ( -5.800 -5.800 31.288) 32.345 16.511 ( 1.646 1.646 -10.730) 10.979 17.084 ( -6.155 -6.155 -26.423) 27.820 24.387 ( -1.517 -1.517 -0.511) 2.206 24.763 ( -7.783 -7.783 4.866) 12.035 25.230 ( 1.620 1.620 -2.801) 3.618 25.782 ( -3.472 -3.472 2.198) 5.380 26.317 ( 10.482 10.482 5.914) 15.960 26.728 ( 9.970 9.970 37.234) 39.814 27.489 ( 5.812 5.812 0.603) 8.242 28.697 ( -16.299 -16.299 -35.319) 42.175 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 14.759 14.759 -14.597) 25.471 3.153 ( -10.629 -10.629 -13.945) 20.504 3.442 ( 18.844 18.844 -2.689) 26.785 3.743 ( 15.524 15.524 -5.102) 22.539 3.988 ( -2.065 -2.065 -7.468) 8.019 4.291 ( -5.614 -5.614 -3.151) 8.542 4.588 ( 8.388 8.388 -0.012) 11.863 4.977 ( -10.390 -10.390 1.791) 14.802 5.700 ( 2.809 2.809 11.216) 11.899 5.761 ( 0.327 0.327 11.285) 11.295 6.213 ( 3.349 3.349 -10.634) 11.641 6.500 ( -9.600 -9.600 -1.504) 13.660 8.173 ( 6.476 6.476 -1.674) 9.311 8.440 ( -2.980 -2.980 5.755) 7.133 8.446 ( 4.635 4.635 7.337) 9.838 8.522 ( -3.743 -3.743 1.791) 5.588 8.887 ( 7.080 7.080 -6.055) 11.701 9.157 ( 2.037 2.037 -17.671) 17.904 9.404 ( -10.627 -10.627 -0.647) 15.043 9.566 ( -11.730 -11.730 -16.697) 23.537 13.173 ( 7.307 7.307 2.603) 10.656 13.429 ( -3.398 -3.398 12.137) 13.054 14.015 ( 2.411 2.411 -0.550) 3.453 14.069 ( 14.166 14.166 4.682) 20.573 14.147 ( -5.067 -5.067 1.195) 7.264 14.675 ( -12.556 -12.556 21.954) 28.236 16.629 ( 4.022 4.022 -11.104) 12.476 16.831 ( -5.985 -5.985 -18.046) 19.932 24.376 ( 1.256 1.256 1.961) 2.645 24.501 ( -4.993 -4.993 4.046) 8.138 25.361 ( 4.753 4.753 -4.666) 8.182 25.583 ( -5.804 -5.804 -3.690) 9.000 26.734 ( 9.132 9.132 16.152) 20.680 26.934 ( 0.070 0.070 30.471) 30.471 27.739 ( 7.104 7.104 -9.914) 14.114 28.119 ( -12.248 -12.248 -25.507) 30.833 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( 0.000 13.359 -0.000) 13.359 0.658 ( 0.000 32.351 -0.000) 32.351 1.292 ( 0.000 62.739 -0.000) 62.739 3.610 ( -0.000 -2.545 0.000) 2.545 3.653 ( 0.000 4.286 -0.000) 4.286 3.828 ( 0.000 8.085 -0.000) 8.085 3.836 ( 0.000 8.914 -0.000) 8.914 5.615 ( -0.000 -0.734 0.000) 0.734 5.646 ( 0.000 2.636 -0.000) 2.636 5.878 ( -0.000 -1.105 0.000) 1.105 6.126 ( 0.000 0.691 -0.000) 0.691 7.508 ( 0.000 4.207 -0.000) 4.207 7.721 ( -0.000 -8.249 0.000) 8.249 8.149 ( -0.000 -2.888 0.000) 2.888 8.519 ( 0.000 0.252 -0.000) 0.252 8.521 ( 0.000 0.341 -0.000) 0.341 8.973 ( -0.000 -3.458 0.000) 3.458 9.159 ( -0.000 -1.784 0.000) 1.784 10.380 ( -0.000 -6.849 0.000) 6.849 10.404 ( -0.000 -14.978 0.000) 14.978 12.656 ( -0.000 -0.641 0.000) 0.641 12.662 ( 0.000 12.586 -0.000) 12.586 13.444 ( 0.000 8.264 -0.000) 8.264 14.515 ( -0.000 -13.880 0.000) 13.880 14.677 ( 0.000 1.589 -0.000) 1.589 15.707 ( -0.000 -2.968 0.000) 2.968 16.237 ( 0.000 3.503 -0.000) 3.503 16.905 ( 0.000 0.596 -0.000) 0.596 24.475 ( -0.000 -0.450 0.000) 0.450 25.174 ( -0.000 -8.604 0.000) 8.604 25.286 ( 0.000 0.655 -0.000) 0.655 25.874 ( 0.000 4.382 -0.000) 4.382 26.015 ( -0.000 -3.450 0.000) 3.450 26.972 ( 0.000 9.200 -0.000) 9.200 27.192 ( -0.000 -4.174 0.000) 4.174 28.658 ( -0.000 -1.436 0.000) 1.436 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 57.427 5.501 0.000) 57.690 1.429 ( 13.268 26.357 -0.000) 29.508 2.501 ( 2.369 54.199 -0.000) 54.251 3.493 ( -4.066 -5.202 0.000) 6.602 3.809 ( 2.767 7.407 -0.000) 7.907 4.088 ( 6.764 7.819 -0.000) 10.339 4.136 ( 5.438 13.417 -0.000) 14.477 5.611 ( 3.171 -2.541 0.000) 4.063 5.680 ( -13.501 -2.797 -0.000) 13.788 5.726 ( -0.375 5.603 -0.000) 5.615 6.131 ( -0.545 -0.201 -0.000) 0.581 7.219 ( -12.073 -8.818 -0.000) 14.950 7.969 ( 17.243 2.515 0.000) 17.425 8.074 ( -0.762 -2.240 0.000) 2.366 8.537 ( 1.210 1.487 -0.000) 1.917 8.543 ( 0.788 0.818 -0.000) 1.136 8.835 ( -4.054 -5.628 0.000) 6.936 9.039 ( -5.391 -3.967 -0.000) 6.694 10.039 ( -1.123 -20.583 0.000) 20.613 10.116 ( -6.411 -12.659 0.000) 14.190 12.733 ( 8.606 -1.268 0.000) 8.699 13.116 ( 12.037 18.890 -0.000) 22.399 13.619 ( -3.991 14.368 -0.000) 14.913 14.146 ( -0.310 -21.383 0.000) 21.386 14.607 ( -10.566 2.907 -0.000) 10.959 15.569 ( -3.870 -7.815 0.000) 8.721 16.346 ( 1.839 4.526 -0.000) 4.885 16.839 ( -6.103 0.358 -0.000) 6.113 24.422 ( -2.864 -0.518 -0.000) 2.911 24.953 ( -4.704 -8.681 0.000) 9.874 25.231 ( -4.215 1.229 -0.000) 4.390 25.884 ( -2.836 -6.566 0.000) 7.152 26.096 ( 14.178 3.144 0.000) 14.522 27.255 ( 15.020 -9.045 0.000) 17.533 27.257 ( 1.652 15.114 -0.000) 15.205 28.448 ( -15.704 -1.024 -0.000) 15.738 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 13.691 20.186 -0.000) 24.391 2.591 ( 49.987 4.551 0.000) 50.193 3.222 ( -8.067 -7.467 0.000) 10.993 3.516 ( 2.688 38.729 -0.000) 38.822 3.959 ( 0.585 -1.563 0.000) 1.669 4.269 ( 5.478 -3.519 0.000) 6.511 4.499 ( 2.296 13.778 -0.000) 13.968 5.281 ( -16.815 -5.509 -0.000) 17.694 5.699 ( 7.662 1.792 0.000) 7.868 5.868 ( 1.204 9.193 -0.000) 9.272 6.074 ( -2.981 -2.396 -0.000) 3.824 6.745 ( -12.043 -13.891 0.000) 18.385 8.087 ( 1.815 3.516 -0.000) 3.957 8.420 ( 16.428 6.889 0.000) 17.814 8.586 ( 1.553 1.414 -0.000) 2.101 8.600 ( -6.846 -5.534 -0.000) 8.803 8.671 ( 7.004 4.168 0.000) 8.151 8.833 ( -5.318 -4.483 0.000) 6.955 9.567 ( -5.893 -18.206 0.000) 19.136 9.649 ( -10.580 -15.716 0.000) 18.946 12.941 ( 14.562 -1.144 0.000) 14.607 13.692 ( -0.365 -22.349 0.000) 22.352 13.829 ( 18.155 20.047 -0.000) 27.046 13.862 ( -3.645 17.440 -0.000) 17.817 14.403 ( -15.598 3.476 -0.000) 15.980 15.208 ( -10.553 -14.159 0.000) 17.659 16.468 ( 1.231 4.532 -0.000) 4.696 16.708 ( -6.432 -0.297 -0.000) 6.439 24.384 ( -0.652 1.108 -0.000) 1.286 24.673 ( -6.957 -6.312 0.000) 9.394 25.245 ( 1.734 2.962 -0.000) 3.432 25.657 ( -4.762 -7.865 0.000) 9.194 26.525 ( 22.468 1.976 0.000) 22.555 27.302 ( 15.644 -19.986 0.000) 25.380 27.574 ( -2.606 16.483 -0.000) 16.688 28.077 ( -23.285 5.584 -0.000) 23.945 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -13.827 -11.108 0.000) 17.737 2.770 ( 11.108 13.827 -0.000) 17.737 3.560 ( -3.309 -33.092 0.000) 33.257 3.560 ( 33.092 3.309 0.000) 33.257 4.141 ( -16.089 -1.738 -0.000) 16.183 4.141 ( 1.738 16.089 -0.000) 16.183 4.841 ( -15.657 -4.101 -0.000) 16.185 4.841 ( 4.101 15.657 -0.000) 16.185 5.915 ( -4.729 -4.207 0.000) 6.330 5.915 ( 4.207 4.729 0.000) 6.330 6.223 ( -11.074 -10.139 0.000) 15.015 6.223 ( 10.139 11.074 0.000) 15.015 8.289 ( -7.661 -5.625 0.000) 9.505 8.289 ( 5.625 7.661 -0.000) 9.505 8.672 ( -2.627 -2.969 0.000) 3.965 8.672 ( 2.969 2.627 -0.000) 3.965 8.874 ( 1.559 -6.781 0.000) 6.958 8.874 ( 6.781 -1.559 0.000) 6.958 9.216 ( 1.216 -2.548 0.000) 2.823 9.216 ( 2.548 -1.216 0.000) 2.823 13.268 ( 2.476 -17.355 0.000) 17.531 13.268 ( 17.355 -2.476 0.000) 17.531 14.139 ( -14.966 6.171 -0.000) 16.189 14.139 ( -6.171 14.966 -0.000) 16.189 14.592 ( -16.906 -18.394 0.000) 24.983 14.592 ( 18.394 16.906 -0.000) 24.983 16.582 ( -3.590 1.120 -0.000) 3.760 16.582 ( -1.120 3.590 0.000) 3.760 24.461 ( -4.282 -2.936 -0.000) 5.192 24.461 ( 2.936 4.282 -0.000) 5.192 25.410 ( -4.841 -6.270 0.000) 7.922 25.410 ( 6.270 4.841 0.000) 7.922 27.016 ( 9.355 -22.810 0.000) 24.654 27.016 ( 22.810 -9.355 0.000) 24.654 27.807 ( -15.284 13.018 0.000) 20.076 27.807 ( -13.018 15.284 0.000) 20.076 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 8.707 20.143) 21.944 1.741 ( 0.000 23.328 34.088) 41.306 2.679 ( 0.000 48.288 21.728) 52.951 3.681 ( -0.000 -4.394 13.553) 14.247 3.757 ( 0.000 6.725 -2.716) 7.253 4.011 ( 0.000 8.828 -0.225) 8.830 4.084 ( 0.000 14.740 0.802) 14.762 5.470 ( 0.000 1.417 -14.450) 14.519 5.548 ( 0.000 -1.209 -3.771) 3.960 6.084 ( -0.000 1.960 11.873) 12.034 6.171 ( -0.000 0.484 3.536) 3.569 6.802 ( 0.000 3.788 -36.915) 37.109 7.665 ( 0.000 7.826 3.451) 8.553 8.143 ( -0.000 -5.936 -1.954) 6.250 8.428 ( 0.000 0.711 -8.300) 8.330 8.812 ( -0.000 -9.493 10.525) 14.173 8.987 ( -0.000 -4.527 12.746) 13.526 9.238 ( -0.000 -3.534 10.927) 11.484 10.141 ( -0.000 -12.382 -3.923) 12.988 10.317 ( -0.000 -28.982 22.013) 36.394 12.675 ( -0.000 -1.154 3.623) 3.802 12.855 ( 0.000 18.462 -12.154) 22.103 13.514 ( 0.000 15.156 -8.273) 17.267 14.285 ( -0.000 -18.947 5.756) 19.802 14.678 ( 0.000 2.868 -4.313) 5.179 15.125 ( 0.000 -4.521 -36.901) 37.177 16.486 ( -0.000 -3.275 14.559) 14.922 17.351 ( -0.000 -0.488 31.482) 31.486 24.489 ( -0.000 -0.872 2.571) 2.715 24.970 ( -0.000 -8.491 -2.223) 8.777 25.285 ( 0.000 1.471 -2.116) 2.577 25.690 ( 0.000 -0.307 -16.395) 16.398 26.019 ( 0.000 2.642 1.483) 3.030 26.361 ( 0.000 17.187 -35.231) 39.200 27.296 ( 0.000 3.514 -1.883) 3.987 29.244 ( -0.000 -18.100 38.443) 42.491 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 46.214 7.560 7.270) 47.390 2.280 ( 9.999 18.854 27.731) 34.992 3.509 ( -4.425 -1.698 9.373) 10.504 3.587 ( -0.791 33.608 14.063) 36.440 3.938 ( 2.454 5.023 -0.234) 5.596 4.132 ( 5.673 -3.831 -0.494) 6.863 4.445 ( 2.314 17.040 -0.300) 17.199 5.448 ( -6.748 1.175 -11.696) 13.554 5.549 ( 3.179 -0.177 -3.937) 5.063 5.941 ( -12.140 1.421 2.423) 12.460 6.179 ( -0.603 0.480 5.394) 5.449 6.761 ( 0.304 -9.105 -15.223) 17.741 7.936 ( 7.327 8.988 -2.393) 11.840 8.151 ( 4.854 3.254 2.128) 6.219 8.434 ( -0.511 1.535 -9.254) 9.394 8.650 ( 0.602 -7.232 5.475) 9.090 8.865 ( -3.016 -3.918 11.751) 12.749 9.117 ( -2.097 -4.477 12.600) 13.535 9.783 ( -3.359 -19.522 5.097) 20.454 9.806 ( -1.567 -20.180 9.696) 22.444 12.721 ( 7.363 -1.896 2.312) 7.947 13.345 ( 9.592 17.273 -14.704) 24.629 13.660 ( 0.112 -5.253 -1.903) 5.588 13.997 ( -2.493 1.529 1.983) 3.533 14.647 ( -9.127 3.550 -3.864) 10.528 14.983 ( -2.450 -8.206 -29.988) 31.187 16.504 ( 1.486 2.087 7.481) 7.908 17.234 ( -9.824 0.459 28.416) 30.070 24.430 ( -3.078 -0.273 1.322) 3.361 24.760 ( -5.533 -6.617 -3.343) 9.251 25.273 ( -2.108 2.391 0.756) 3.276 25.688 ( 2.432 -5.971 -4.000) 7.587 26.110 ( 12.140 -2.436 0.936) 12.418 26.690 ( 12.158 -0.257 -27.868) 30.406 27.434 ( 0.998 7.845 -7.731) 11.059 28.892 ( -14.045 -1.878 29.349) 32.591 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 29.600 10.860 4.047) 31.788 2.876 ( 24.836 5.566 17.299) 30.774 3.216 ( -9.031 -6.333 12.774) 16.877 3.662 ( -2.208 -28.800 4.403) 29.218 4.156 ( -0.120 15.820 0.899) 15.846 4.293 ( 3.864 5.566 5.661) 8.830 4.799 ( -0.989 16.493 -2.224) 16.672 5.181 ( -17.997 0.073 -2.464) 18.165 5.702 ( 4.384 5.312 -7.737) 10.359 5.821 ( -3.741 1.438 -12.937) 13.543 6.163 ( 1.229 -2.278 5.150) 5.764 6.532 ( -5.603 -4.629 5.777) 9.284 8.197 ( 4.049 6.412 -0.977) 7.646 8.387 ( 4.838 -0.003 -8.292) 9.600 8.470 ( -0.503 1.622 -4.105) 4.443 8.544 ( -1.616 -0.409 4.056) 4.385 8.814 ( 7.056 0.737 5.826) 9.180 9.047 ( 3.873 -5.757 14.710) 16.264 9.333 ( -4.999 -13.396 5.575) 15.347 9.404 ( -2.290 -13.830 13.002) 19.120 12.878 ( 12.188 -3.369 -1.546) 12.739 13.311 ( 3.698 -17.621 6.109) 19.012 13.983 ( 9.584 14.089 -19.217) 25.684 14.157 ( -2.050 13.717 -9.958) 17.074 14.508 ( -10.786 4.727 -2.359) 12.010 14.671 ( -10.345 -9.339 -15.397) 20.768 16.581 ( 2.241 0.716 6.177) 6.610 17.057 ( -11.597 5.405 23.497) 26.755 24.407 ( -0.346 2.019 -1.426) 2.496 24.533 ( -5.712 -3.335 -2.932) 7.235 25.351 ( 3.810 3.429 3.794) 6.377 25.536 ( -2.779 -6.929 3.520) 8.254 26.355 ( 16.817 -6.234 -10.784) 20.928 26.791 ( 15.638 -16.169 -9.150) 24.284 27.583 ( -4.411 9.008 -15.725) 18.651 28.653 ( -17.635 10.909 24.926) 32.424 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -0.000 6.136 19.506) 20.449 2.773 ( 0.000 18.075 26.660) 32.209 3.702 ( 0.000 7.688 9.022) 11.854 3.751 ( 0.000 4.348 -9.679) 10.611 4.069 ( 0.000 6.049 10.775) 12.357 4.173 ( -0.000 7.971 22.166) 23.555 4.416 ( 0.000 15.693 0.056) 15.693 5.240 ( 0.000 1.224 -10.394) 10.466 5.457 ( 0.000 0.030 -3.744) 3.744 6.221 ( -0.000 -1.672 4.860) 5.139 6.244 ( 0.000 -6.169 -17.764) 18.804 6.367 ( 0.000 4.525 6.740) 8.118 7.917 ( 0.000 7.663 3.503) 8.425 8.142 ( 0.000 6.374 2.006) 6.682 8.307 ( 0.000 2.884 -5.189) 5.936 8.744 ( -0.000 -10.062 4.516) 11.029 9.118 ( -0.000 -4.885 9.883) 11.024 9.351 ( -0.000 -7.192 8.348) 11.019 9.803 ( -0.000 -11.543 -2.102) 11.733 10.109 ( -0.000 -23.969 12.797) 27.171 12.745 ( -0.000 -1.373 5.798) 5.959 12.937 ( 0.000 16.737 -14.974) 22.458 13.645 ( 0.000 1.309 -0.439) 1.380 13.933 ( -0.000 -7.198 -14.760) 16.422 14.408 ( 0.000 -3.812 -19.971) 20.332 14.627 ( 0.000 3.267 -6.952) 7.681 16.683 ( -0.000 -1.401 10.549) 10.641 17.908 ( -0.000 -0.675 24.630) 24.639 24.534 ( -0.000 -1.176 3.824) 4.001 24.787 ( -0.000 -6.498 -0.251) 6.503 25.265 ( 0.000 2.107 -3.523) 4.105 25.471 ( 0.000 3.479 -9.234) 9.868 25.984 ( 0.000 4.746 -19.970) 20.526 26.111 ( -0.000 -2.582 0.623) 2.656 27.286 ( 0.000 2.632 -5.127) 5.763 29.551 ( -0.000 -6.914 20.521) 21.654 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 38.518 5.547 11.855) 40.682 3.091 ( 3.735 8.880 21.704) 23.746 3.581 ( -6.518 -9.985 5.229) 13.020 3.795 ( -0.642 -14.028 3.229) 14.409 3.998 ( 7.524 0.066 -4.024) 8.533 4.523 ( 1.576 12.775 22.078) 25.557 4.735 ( 0.112 14.228 -5.295) 15.182 5.286 ( -2.343 4.460 -8.469) 9.855 5.494 ( -0.861 5.625 -7.535) 9.443 5.853 ( -15.162 -2.033 -4.660) 15.992 6.233 ( 1.205 -3.777 3.345) 5.187 6.587 ( 6.477 2.019 1.928) 7.053 8.050 ( 1.952 3.329 -3.767) 5.393 8.269 ( 0.784 -0.849 -0.081) 1.158 8.394 ( 1.480 7.567 -0.601) 7.733 8.651 ( 4.039 0.343 6.420) 7.593 8.958 ( -5.516 -6.281 8.077) 11.624 9.198 ( 2.372 -9.357 7.210) 12.048 9.557 ( -3.207 -7.414 7.820) 11.243 9.710 ( 2.237 -17.734 16.386) 24.249 12.756 ( 3.880 -1.470 4.705) 6.273 13.321 ( 5.906 6.670 -9.345) 12.911 13.407 ( 4.330 -11.529 -5.806) 13.615 13.938 ( -5.548 3.002 -24.634) 25.429 14.374 ( -2.838 4.385 -10.750) 11.952 14.670 ( -2.706 3.265 -5.741) 7.138 16.704 ( 2.134 0.307 9.721) 9.957 17.796 ( -11.726 3.604 22.962) 26.033 24.458 ( -4.267 -0.137 2.033) 4.729 24.595 ( -6.128 -3.773 -1.912) 7.446 25.350 ( 3.381 2.359 0.606) 4.167 25.552 ( 4.374 -1.613 -1.014) 4.771 26.039 ( 3.098 -6.107 0.271) 6.853 26.154 ( 14.463 -5.647 -19.669) 25.059 27.369 ( 1.112 3.151 -9.262) 9.847 29.405 ( -11.908 5.404 19.078) 23.130 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 18.468 -18.468 6.152) 26.833 2.843 ( 14.653 -14.653 6.615) 21.753 3.452 ( 7.485 -7.485 26.632) 28.659 3.491 ( -5.352 5.352 0.805) 7.612 4.160 ( 1.697 -1.697 -9.495) 9.794 4.638 ( 1.386 -1.386 20.195) 20.290 4.906 ( -5.419 5.419 -10.773) 13.221 5.291 ( -11.055 11.055 -0.469) 15.642 5.554 ( -3.681 3.681 -13.731) 14.684 5.699 ( -5.749 5.749 -2.488) 8.502 6.185 ( 3.185 -3.185 5.681) 7.249 6.665 ( -0.255 0.255 4.801) 4.814 8.161 ( 0.776 -0.777 -5.932) 6.033 8.161 ( 3.318 -3.317 -7.284) 8.664 8.649 ( 1.056 -1.056 -1.798) 2.338 8.687 ( -4.244 4.244 9.761) 11.459 8.786 ( 2.298 -2.298 6.284) 7.074 9.082 ( 3.882 -3.882 8.391) 10.027 9.494 ( 3.672 -3.673 13.378) 14.350 9.495 ( 5.946 -5.945 19.416) 21.159 12.802 ( 3.742 -3.742 2.852) 6.012 13.187 ( 11.527 -11.527 8.422) 18.348 13.719 ( 2.762 -2.762 -23.502) 23.825 13.758 ( -5.770 5.770 -28.851) 29.982 14.417 ( -7.272 7.272 -7.969) 13.011 14.664 ( -4.220 4.220 -2.439) 6.447 16.737 ( 2.287 -2.287 10.501) 10.988 17.693 ( -11.737 11.737 20.961) 26.738 24.412 ( -1.953 1.953 -0.360) 2.785 24.480 ( -2.339 2.339 -1.562) 3.658 25.437 ( 1.977 -1.977 -0.068) 2.797 25.556 ( 1.852 -1.852 7.632) 8.069 26.012 ( 6.208 -6.208 -7.221) 11.368 26.253 ( 15.594 -15.594 -13.259) 25.732 27.417 ( -1.469 1.469 -11.332) 11.521 29.333 ( -13.505 13.505 17.981) 26.232 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -0.000 3.480 11.681) 12.188 3.390 ( -0.000 0.966 7.510) 7.572 3.580 ( 0.000 1.042 -10.908) 10.958 3.753 ( -0.000 -8.545 3.712) 9.316 4.051 ( -0.000 -10.613 10.256) 14.759 4.601 ( 0.000 6.123 -6.737) 9.104 4.930 ( 0.000 7.424 16.256) 17.871 5.144 ( 0.000 5.397 -4.986) 7.348 5.410 ( 0.000 3.321 -4.105) 5.280 5.946 ( 0.000 1.121 -4.366) 4.507 6.273 ( -0.000 -2.001 4.305) 4.748 6.526 ( 0.000 3.422 0.664) 3.486 7.986 ( 0.000 0.134 -2.580) 2.583 8.266 ( -0.000 -4.408 -0.538) 4.441 8.357 ( 0.000 1.611 -1.187) 2.001 8.728 ( 0.000 5.244 5.189) 7.377 9.207 ( -0.000 -4.022 8.196) 9.130 9.272 ( -0.000 -4.949 4.495) 6.685 9.727 ( -0.000 -2.923 5.975) 6.652 9.961 ( -0.000 -12.830 11.736) 17.388 12.836 ( -0.000 -1.026 5.322) 5.420 12.909 ( 0.000 9.713 -15.697) 18.459 13.396 ( -0.000 -10.166 -6.193) 11.904 13.594 ( -0.000 -5.647 -6.058) 8.282 14.265 ( 0.000 8.092 -5.115) 9.573 14.542 ( 0.000 2.277 -6.899) 7.265 16.850 ( -0.000 1.005 6.563) 6.640 18.289 ( -0.000 1.911 12.549) 12.693 24.587 ( -0.000 -0.942 3.554) 3.676 24.712 ( -0.000 -5.542 4.621) 7.216 25.231 ( 0.000 1.836 -3.875) 4.288 25.391 ( 0.000 5.952 -12.009) 13.403 25.675 ( 0.000 -2.720 -7.017) 7.526 26.091 ( -0.000 -5.057 3.373) 6.078 27.206 ( 0.000 -0.814 -4.490) 4.563 29.823 ( -0.000 4.059 10.067) 10.855 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 33.685 2.848 7.000) 34.522 2.993 ( -1.292 -35.337 2.590) 35.456 3.496 ( -5.107 1.559 -6.711) 8.576 3.805 ( 8.269 -1.951 -3.186) 9.073 3.910 ( 1.133 -4.364 15.902) 16.529 4.679 ( 0.838 0.992 -14.075) 14.134 4.969 ( 1.840 -3.321 11.840) 12.434 5.324 ( 0.245 10.456 -6.084) 12.099 5.468 ( -6.701 5.589 -7.698) 11.636 5.899 ( -9.585 7.529 3.576) 12.702 6.259 ( 1.631 -2.294 5.573) 6.244 6.642 ( 4.432 0.568 -1.671) 4.771 7.974 ( 0.948 -0.513 -4.364) 4.495 8.093 ( -2.232 -6.382 -4.212) 7.966 8.387 ( 7.067 -5.776 -6.403) 11.149 8.905 ( 1.122 6.587 7.406) 9.975 9.080 ( -5.368 0.665 11.106) 12.353 9.247 ( -0.846 0.339 11.284) 11.321 9.678 ( 0.924 -2.537 9.393) 9.774 9.781 ( 3.431 -8.214 17.647) 19.765 12.844 ( 2.445 -1.000 6.011) 6.566 13.050 ( 3.875 -4.063 -12.427) 13.636 13.265 ( 3.482 -0.058 -3.129) 4.682 13.453 ( -3.579 -4.679 -13.936) 15.130 14.398 ( -4.335 7.822 -5.930) 10.731 14.597 ( 0.460 1.875 -7.139) 7.395 16.887 ( 1.696 -0.016 8.359) 8.529 18.258 ( -10.421 7.830 11.094) 17.116 24.521 ( -4.161 1.129 3.133) 5.329 24.546 ( -5.503 -0.659 1.993) 5.890 25.292 ( 3.443 -1.043 -6.995) 7.866 25.623 ( 7.319 1.726 5.676) 9.421 25.674 ( 11.092 -6.622 -13.287) 18.531 25.945 ( -0.441 -8.235 3.435) 8.934 27.215 ( 1.742 -0.991 -7.691) 7.948 29.863 ( -9.928 10.528 10.722) 18.010 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -16.488 16.488 14.736) 27.584 2.877 ( -21.192 21.192 10.096) 31.625 3.478 ( -3.215 3.215 -3.332) 5.637 3.858 ( 0.405 -0.405 -1.738) 1.830 4.245 ( -3.390 3.390 3.294) 5.817 4.380 ( -6.947 6.947 5.472) 11.246 4.624 ( -7.764 7.764 29.121) 31.123 5.203 ( 0.759 -0.759 -4.830) 4.948 5.230 ( 3.141 -3.141 2.011) 4.876 5.807 ( 10.976 -10.976 -2.571) 15.734 6.498 ( -2.410 2.410 8.207) 8.886 6.526 ( -2.142 2.142 -5.063) 5.900 7.917 ( -5.326 5.326 2.511) 7.939 8.048 ( -2.048 2.048 -3.819) 4.793 8.298 ( -6.632 6.632 4.940) 10.600 8.982 ( 4.645 -4.645 2.407) 6.995 9.111 ( 7.886 -7.886 1.405) 11.240 9.528 ( 5.018 -5.018 -3.708) 8.007 9.789 ( 1.645 -1.645 3.536) 4.233 10.429 ( 5.201 -5.201 -6.525) 9.832 12.716 ( -7.140 7.140 -1.852) 10.266 12.943 ( -1.972 1.972 0.363) 2.812 13.399 ( -2.424 2.424 0.413) 3.454 13.607 ( 2.020 -2.020 -23.779) 23.950 14.394 ( 2.030 -2.030 -3.852) 4.804 14.437 ( 0.287 -0.287 0.282) 0.494 16.956 ( 0.590 -0.590 6.812) 6.863 17.952 ( 11.278 -11.278 13.017) 20.587 24.414 ( 3.985 -3.985 0.722) 5.682 24.567 ( 7.967 -7.967 -3.788) 11.887 25.414 ( -11.300 11.300 -9.577) 18.631 25.436 ( -5.068 5.068 7.545) 10.406 26.023 ( -0.097 0.097 -4.116) 4.118 26.023 ( -4.062 4.062 -6.795) 8.898 27.396 ( -11.625 11.625 -3.878) 16.891 29.589 ( 18.364 -18.364 10.096) 27.863 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 0.000 0.307 -5.246) 5.255 2.933 ( -0.000 -32.897 -9.610) 34.272 3.457 ( 0.000 0.262 -1.157) 1.187 3.658 ( -0.000 -7.414 1.886) 7.650 4.204 ( -0.000 0.974 8.537) 8.593 4.399 ( -0.000 -5.424 -11.477) 12.694 4.930 ( -0.000 -8.348 -13.823) 16.148 5.206 ( 0.000 7.518 -4.486) 8.755 5.405 ( 0.000 2.315 -4.799) 5.328 6.091 ( 0.000 9.108 4.146) 10.007 6.313 ( -0.000 -0.864 2.367) 2.520 6.521 ( 0.000 0.209 -4.546) 4.550 7.917 ( -0.000 -2.376 -2.190) 3.231 8.060 ( -0.000 -6.596 -2.244) 6.967 8.193 ( -0.000 -7.034 -4.528) 8.366 8.986 ( 0.000 5.606 2.437) 6.113 9.330 ( 0.000 4.373 6.619) 7.933 9.494 ( 0.000 7.712 10.199) 12.786 9.800 ( -0.000 -0.340 4.163) 4.177 10.087 ( -0.000 -5.136 18.159) 18.872 12.731 ( 0.000 3.003 -12.123) 12.489 12.897 ( -0.000 -0.167 1.684) 1.693 13.286 ( -0.000 -0.304 3.897) 3.909 13.404 ( -0.000 -11.859 5.458) 13.055 14.351 ( 0.000 6.861 -2.500) 7.302 14.461 ( 0.000 0.373 -3.443) 3.463 16.986 ( 0.000 3.661 2.788) 4.602 18.470 ( 0.000 4.577 -1.459) 4.803 24.630 ( -0.000 -0.133 1.642) 1.648 24.735 ( -0.000 -5.007 7.979) 9.420 25.186 ( 0.000 1.364 -12.130) 12.206 25.189 ( 0.000 0.672 -2.557) 2.643 25.670 ( 0.000 1.549 3.705) 4.016 26.036 ( -0.000 -7.163 3.440) 7.946 27.096 ( -0.000 -3.893 -1.196) 4.073 30.108 ( 0.000 11.458 2.767) 11.788 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 14.603 -14.603 -8.108) 22.186 2.262 ( 17.289 -17.289 -7.054) 25.448 3.435 ( -1.738 1.738 -0.580) 2.526 3.608 ( 5.898 -5.898 -0.257) 8.345 4.219 ( -0.804 0.804 10.453) 10.515 4.339 ( 3.868 -3.868 -14.829) 15.805 4.827 ( 5.506 -5.506 -17.269) 18.943 5.338 ( -3.507 3.507 -7.668) 9.132 5.387 ( -1.781 1.781 -6.767) 7.221 6.148 ( -7.463 7.463 3.237) 11.040 6.333 ( 1.552 -1.552 4.359) 4.881 6.538 ( 2.169 -2.169 -5.760) 6.526 7.874 ( 0.788 -0.788 -4.165) 4.312 7.995 ( -0.752 0.752 -0.058) 1.065 8.127 ( 5.590 -5.590 -4.190) 8.947 9.025 ( 1.601 -1.601 2.507) 3.378 9.403 ( -8.141 8.141 9.356) 14.835 9.585 ( -4.927 4.927 11.486) 13.434 9.789 ( 0.449 -0.449 5.793) 5.828 10.024 ( 6.328 -6.328 21.234) 23.043 12.789 ( -1.625 1.625 -11.455) 11.684 12.904 ( 0.678 -0.678 1.537) 1.812 13.232 ( 6.143 -6.143 -1.064) 8.752 13.294 ( -0.345 0.345 9.607) 9.619 14.415 ( -2.632 2.632 -2.313) 4.383 14.478 ( 0.316 -0.316 -5.261) 5.280 17.034 ( -0.963 0.963 5.501) 5.667 18.500 ( -7.097 7.097 -2.962) 10.465 24.577 ( -2.640 2.640 0.729) 3.805 24.680 ( -0.121 0.121 7.911) 7.913 25.112 ( -0.766 0.766 -8.030) 8.103 25.347 ( 6.329 -6.329 -6.735) 11.201 25.750 ( 3.133 -3.133 5.938) 7.409 25.891 ( 2.691 -2.691 3.598) 5.238 27.062 ( 2.663 -2.663 -2.992) 4.809 30.225 ( -9.616 9.616 4.539) 14.337 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -1.018 34.747 3.397) 34.928 3.265 ( -1.196 2.573 0.999) 3.008 3.635 ( -16.424 -2.922 -2.877) 16.928 3.852 ( 1.804 3.737 3.960) 5.736 4.288 ( -3.501 4.407 -4.241) 7.047 4.560 ( -0.929 2.231 3.282) 4.076 5.088 ( -0.717 0.802 2.954) 3.144 5.123 ( 2.787 1.048 2.867) 4.134 5.206 ( 1.907 -5.278 -0.412) 5.627 5.551 ( 5.693 -13.916 -1.636) 15.124 6.465 ( -1.417 4.044 -3.110) 5.294 6.647 ( 0.354 2.399 2.934) 3.807 7.995 ( -0.134 7.418 0.728) 7.455 8.227 ( -14.100 0.341 1.517) 14.186 8.464 ( 5.540 4.828 2.761) 7.850 8.858 ( 1.776 0.100 0.162) 1.786 8.973 ( 5.162 -10.687 -3.546) 12.386 9.319 ( 1.773 -5.658 -3.127) 6.703 9.889 ( -2.037 5.307 0.252) 5.690 10.220 ( 0.041 0.240 -6.297) 6.302 12.845 ( -0.735 6.540 4.786) 8.137 13.015 ( -2.112 4.995 1.628) 5.662 13.218 ( 1.825 -2.931 -5.173) 6.219 13.478 ( -2.248 -6.350 0.742) 6.777 14.274 ( 1.225 3.761 -2.664) 4.768 14.488 ( 0.181 -0.135 2.175) 2.187 17.020 ( -0.003 5.269 0.042) 5.269 17.910 ( 5.105 -19.323 0.458) 19.992 24.376 ( 1.175 -6.291 0.757) 6.445 24.403 ( 2.463 -8.036 -1.556) 8.548 25.473 ( -4.694 11.613 -1.311) 12.594 25.711 ( -4.664 5.705 8.277) 11.082 25.828 ( 5.616 8.341 -4.790) 11.138 26.042 ( -2.355 -4.819 -0.818) 5.426 27.549 ( -7.951 20.777 -2.139) 22.349 29.399 ( 9.318 -23.661 0.721) 25.439 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 0.000 -1.351 -19.694) 19.741 1.960 ( -0.000 -33.446 -17.673) 37.828 3.531 ( -0.000 0.947 5.679) 5.757 3.577 ( -0.000 -3.337 0.995) 3.482 4.027 ( -0.000 -7.749 -10.678) 13.194 4.146 ( 0.000 -10.721 -38.872) 40.324 4.288 ( 0.000 0.957 -6.579) 6.648 5.236 ( 0.000 3.349 -2.720) 4.315 5.304 ( -0.000 -2.645 -2.930) 3.947 6.287 ( 0.000 2.918 0.725) 3.007 6.314 ( 0.000 -0.104 -1.760) 1.763 6.387 ( 0.000 -1.360 -6.621) 6.759 7.754 ( -0.000 -4.013 -6.442) 7.589 8.042 ( 0.000 2.732 4.100) 4.927 8.103 ( -0.000 -1.942 4.651) 5.040 9.027 ( -0.000 -0.757 0.001) 0.757 9.571 ( 0.000 11.158 -3.167) 11.599 9.687 ( 0.000 2.664 -4.514) 5.241 9.992 ( -0.000 4.183 11.847) 12.564 10.446 ( -0.000 -4.317 27.867) 28.199 12.629 ( 0.000 7.766 -8.146) 11.255 12.884 ( 0.000 0.363 -3.305) 3.325 13.135 ( -0.000 -13.354 -1.268) 13.414 13.664 ( -0.000 0.448 26.787) 26.791 14.433 ( -0.000 0.905 2.930) 3.067 14.442 ( -0.000 -0.722 2.196) 2.312 17.121 ( 0.000 6.485 0.872) 6.543 18.388 ( 0.000 4.055 -16.079) 16.582 24.633 ( 0.000 0.377 -1.831) 1.869 24.743 ( -0.000 -9.519 4.053) 10.346 25.095 ( 0.000 5.901 -2.268) 6.322 25.172 ( -0.000 -0.206 0.651) 0.682 25.773 ( -0.000 0.359 3.132) 3.152 25.952 ( -0.000 -7.010 3.439) 7.808 27.032 ( -0.000 -3.914 3.368) 5.164 30.376 ( 0.000 13.162 -1.087) 13.207 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 5.816 31.402 -11.147) 33.826 3.238 ( 8.653 9.132 -4.192) 13.260 3.681 ( 13.897 -0.322 2.281) 14.087 3.781 ( -4.967 -0.741 -4.406) 6.681 4.307 ( -0.721 6.141 -1.799) 6.439 4.510 ( 6.128 2.436 -1.759) 6.825 4.788 ( 8.781 3.401 -23.289) 25.121 5.147 ( -2.041 -1.490 0.260) 2.541 5.216 ( -0.096 -4.659 4.738) 6.645 5.611 ( -7.305 -12.002 3.786) 14.551 6.464 ( -3.908 4.761 -4.034) 7.363 6.603 ( 4.315 0.712 -0.345) 4.387 8.003 ( 2.347 7.053 1.354) 7.555 8.201 ( 13.068 1.012 -0.577) 13.120 8.390 ( 0.075 4.616 -4.210) 6.248 8.834 ( -5.481 -1.593 -2.595) 6.270 9.001 ( -5.308 -8.633 -0.834) 10.169 9.392 ( -7.393 -5.625 3.740) 10.014 9.787 ( 0.770 3.192 -9.153) 9.724 10.259 ( -10.975 -2.490 -3.019) 11.652 12.878 ( 7.992 6.894 5.761) 12.025 12.971 ( 1.321 4.763 1.310) 5.113 13.444 ( 0.496 -2.136 9.056) 9.318 13.568 ( -1.782 -3.520 15.273) 15.774 14.281 ( -6.392 3.445 -1.354) 7.386 14.482 ( 3.081 -2.942 1.107) 4.401 16.950 ( 0.114 4.959 -6.912) 8.507 17.792 ( -3.970 -18.419 -11.366) 22.005 24.365 ( -0.969 -5.529 -0.172) 5.616 24.449 ( -3.848 -8.079 3.074) 9.462 25.500 ( 1.444 8.501 -3.804) 9.425 25.604 ( 6.722 7.990 2.620) 10.765 25.984 ( -1.186 5.114 10.144) 11.422 26.102 ( 1.611 -0.491 6.068) 6.297 27.577 ( 3.740 19.978 0.451) 20.331 29.296 ( -8.026 -24.143 -9.828) 27.274 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( -2.647 2.647 -7.501) 8.384 3.356 ( -0.027 0.027 -1.793) 1.793 3.569 ( -13.796 13.796 -1.667) 19.582 3.954 ( 4.675 -4.675 0.796) 6.659 4.293 ( -10.660 10.660 -7.369) 16.780 4.610 ( 4.214 -4.214 1.369) 6.115 4.967 ( 1.857 -1.857 -12.974) 13.237 5.008 ( 4.618 -4.618 -7.998) 10.326 5.245 ( -0.004 0.004 8.417) 8.417 5.356 ( 5.863 -5.863 6.106) 10.297 6.468 ( -4.931 4.931 -4.808) 8.471 6.651 ( 3.462 -3.462 -2.087) 5.322 8.232 ( -5.939 5.939 0.758) 8.434 8.262 ( -6.310 6.310 1.099) 8.991 8.532 ( 5.956 -5.956 -0.730) 8.454 8.588 ( 7.695 -7.695 -4.474) 11.766 8.978 ( -5.250 5.250 1.089) 7.503 9.168 ( 3.425 -3.425 -0.853) 4.918 9.929 ( -4.932 4.932 -8.854) 11.272 10.024 ( -0.913 0.913 -12.600) 12.666 13.014 ( -3.110 3.110 -3.249) 5.469 13.125 ( 2.239 -2.239 12.016) 12.426 13.382 ( -2.248 2.248 18.935) 19.200 13.484 ( 1.348 -1.348 10.509) 10.681 14.264 ( -4.370 4.370 -5.118) 8.025 14.478 ( 4.435 -4.435 -1.017) 6.354 17.080 ( -6.471 6.471 -7.210) 11.650 17.473 ( 12.694 -12.694 -9.088) 20.122 24.301 ( 1.652 -1.652 1.344) 2.695 24.319 ( 2.342 -2.342 2.348) 4.060 25.623 ( -5.274 5.274 -3.342) 8.173 25.736 ( 0.305 -0.305 -6.857) 6.871 26.023 ( -2.166 2.166 9.117) 9.618 26.114 ( 1.364 -1.364 17.235) 17.342 27.938 ( -22.108 22.108 -5.886) 31.815 28.854 ( 21.746 -21.746 -6.530) 31.439 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.000 -0.000 -25.786) 25.786 1.101 ( 0.000 -0.000 -25.786) 25.786 2.896 ( 0.000 -0.000 -64.737) 64.737 3.662 ( -0.000 0.000 4.745) 4.745 3.662 ( -0.000 0.000 4.745) 4.745 3.743 ( 0.000 -0.000 -7.326) 7.326 4.085 ( 0.000 -0.000 -15.548) 15.548 5.279 ( -0.000 0.000 4.832) 4.832 5.279 ( -0.000 0.000 4.832) 4.832 6.228 ( 0.000 -0.000 -6.778) 6.778 6.228 ( 0.000 -0.000 -6.778) 6.778 6.244 ( 0.000 -0.000 -5.814) 5.814 7.586 ( 0.000 -0.000 -5.594) 5.594 8.228 ( -0.000 0.000 8.808) 8.808 8.228 ( -0.000 0.000 8.808) 8.808 9.018 ( 0.000 -0.000 -0.132) 0.132 9.544 ( 0.000 -0.000 -11.107) 11.107 9.544 ( 0.000 -0.000 -11.107) 11.107 10.262 ( -0.000 0.000 9.333) 9.333 11.001 ( -0.000 0.000 29.599) 29.599 12.709 ( 0.000 -0.000 -5.363) 5.363 12.795 ( 0.000 -0.000 -5.441) 5.441 12.795 ( 0.000 -0.000 -5.441) 5.441 14.355 ( -0.000 0.000 40.268) 40.268 14.516 ( -0.000 0.000 5.501) 5.501 14.516 ( -0.000 0.000 5.501) 5.501 17.249 ( -0.000 0.000 1.500) 1.500 17.989 ( 0.000 -0.000 -28.114) 28.114 24.577 ( 0.000 -0.000 -3.826) 3.826 24.577 ( 0.000 -0.000 -3.826) 3.826 25.207 ( -0.000 0.000 2.749) 2.749 25.207 ( -0.000 0.000 2.749) 2.749 25.793 ( -0.000 0.000 0.892) 0.892 25.955 ( -0.000 0.000 3.942) 3.942 27.086 ( -0.000 0.000 5.876) 5.876 30.537 ( 0.000 -0.000 -0.459) 0.459 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 17.951 17.951 -15.923) 29.967 2.667 ( 24.488 24.488 -10.334) 36.140 3.394 ( 9.837 9.837 -16.916) 21.902 3.784 ( -6.443 -6.443 -10.800) 14.131 4.053 ( 9.806 9.806 -18.985) 23.510 4.194 ( 7.787 7.787 0.315) 11.018 4.315 ( 7.300 7.300 -3.030) 10.760 5.227 ( -3.936 -3.936 2.537) 6.117 5.377 ( 1.117 1.117 11.929) 12.033 5.830 ( -8.152 -8.152 -0.469) 11.538 6.326 ( 1.856 1.856 -8.733) 9.119 6.639 ( 0.409 0.409 7.192) 7.215 7.879 ( 6.623 6.623 -0.796) 9.400 8.177 ( 1.146 1.146 9.207) 9.349 8.222 ( 4.607 4.607 -2.607) 7.017 8.898 ( -5.107 -5.107 -5.717) 9.211 9.028 ( -6.088 -6.088 -6.914) 11.042 9.429 ( -0.517 -0.517 -12.230) 12.251 9.810 ( -9.851 -9.851 4.641) 14.684 10.407 ( -12.833 -12.833 -9.339) 20.411 12.882 ( 11.744 11.744 14.451) 22.015 12.935 ( 3.614 3.614 -0.780) 5.171 13.422 ( 5.439 5.439 2.576) 8.112 14.121 ( -3.993 -3.993 23.143) 23.822 14.414 ( -5.880 -5.880 -2.786) 8.770 14.530 ( -2.105 -2.105 13.247) 13.578 16.757 ( -0.444 -0.444 -12.494) 12.510 17.592 ( -9.181 -9.181 -22.862) 26.292 24.400 ( -2.861 -2.861 -0.730) 4.112 24.655 ( -7.864 -7.864 5.274) 12.309 25.311 ( 3.340 3.340 -5.225) 7.044 25.655 ( 6.098 6.098 11.572) 14.432 26.173 ( 7.028 7.028 7.974) 12.742 26.185 ( 5.077 5.077 15.595) 17.169 27.461 ( 9.044 9.044 2.423) 13.017 29.273 ( -18.960 -18.960 -22.275) 34.859 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 13.781 13.781 -13.753) 23.853 3.392 ( -4.861 -4.861 -6.628) 9.550 3.567 ( 10.842 10.842 -10.756) 18.730 3.778 ( 6.209 6.209 1.301) 8.877 4.291 ( 1.354 1.354 -19.698) 19.791 4.378 ( -0.243 -0.243 -4.841) 4.853 4.611 ( 8.565 8.565 -3.959) 12.743 4.959 ( -8.606 -8.606 -1.134) 12.223 5.437 ( 1.945 1.945 13.669) 13.943 5.556 ( -4.700 -4.700 9.239) 11.382 6.409 ( 2.445 2.445 -8.986) 9.628 6.539 ( -3.874 -3.874 -2.038) 5.846 8.209 ( 9.350 9.350 -1.761) 13.340 8.284 ( 3.597 3.597 5.854) 7.755 8.385 ( 0.942 0.942 -0.641) 1.478 8.602 ( -9.078 -9.078 -4.911) 13.746 8.956 ( 4.283 4.283 -1.692) 6.289 9.297 ( -9.754 -9.754 1.683) 13.897 9.599 ( 3.958 3.958 -16.436) 17.363 9.918 ( -10.821 -10.821 -16.295) 22.355 13.104 ( 4.370 4.370 3.945) 7.332 13.193 ( 1.810 1.810 11.085) 11.377 13.698 ( 8.098 8.098 17.510) 20.923 13.951 ( -4.667 -4.667 21.579) 22.566 14.239 ( -0.797 -0.797 -8.334) 8.410 14.372 ( -5.324 -5.324 3.172) 8.169 16.875 ( 5.888 5.888 -12.298) 14.852 17.198 ( -9.678 -9.678 -17.083) 21.889 24.331 ( -0.150 -0.150 2.244) 2.254 24.409 ( -4.141 -4.141 4.625) 7.462 25.482 ( 4.906 4.906 -7.114) 9.937 25.664 ( -3.465 -3.465 -3.928) 6.281 26.388 ( 3.368 3.368 23.744) 24.217 26.394 ( 3.138 3.138 16.843) 17.418 27.917 ( 13.754 13.754 -7.146) 20.722 28.545 ( -17.245 -17.245 -17.339) 29.924 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 0.000 12.841 -0.000) 12.841 1.286 ( 0.000 30.157 -0.000) 30.157 2.479 ( 0.000 54.881 -0.000) 54.881 3.536 ( -0.000 -4.765 0.000) 4.765 3.782 ( 0.000 8.148 -0.000) 8.148 4.014 ( 0.000 8.582 -0.000) 8.582 4.078 ( 0.000 14.856 -0.000) 14.856 5.579 ( -0.000 -3.016 0.000) 3.016 5.728 ( 0.000 5.499 -0.000) 5.499 5.854 ( -0.000 -1.134 0.000) 1.134 6.137 ( 0.000 0.240 -0.000) 0.240 7.480 ( -0.000 -15.545 0.000) 15.545 7.630 ( 0.000 7.729 -0.000) 7.729 8.081 ( -0.000 -3.062 0.000) 3.062 8.530 ( 0.000 0.493 -0.000) 0.493 8.532 ( 0.000 1.011 -0.000) 1.011 8.877 ( -0.000 -5.954 0.000) 5.954 9.107 ( -0.000 -3.400 0.000) 3.400 10.019 ( -0.000 -21.999 0.000) 21.999 10.181 ( -0.000 -12.885 0.000) 12.885 12.638 ( -0.000 -1.141 0.000) 1.141 12.989 ( 0.000 19.075 -0.000) 19.075 13.675 ( 0.000 14.343 -0.000) 14.343 14.145 ( -0.000 -21.995 0.000) 21.995 14.723 ( 0.000 2.939 -0.000) 2.939 15.606 ( -0.000 -7.361 0.000) 7.361 16.326 ( 0.000 5.183 -0.000) 5.183 16.919 ( 0.000 0.811 -0.000) 0.811 24.462 ( -0.000 -0.801 0.000) 0.801 24.995 ( -0.000 -8.528 0.000) 8.528 25.307 ( 0.000 1.505 -0.000) 1.505 25.911 ( -0.000 -6.899 0.000) 6.899 25.922 ( -0.000 -0.137 0.000) 0.137 27.066 ( -0.000 -8.423 0.000) 8.423 27.243 ( 0.000 17.372 -0.000) 17.372 28.626 ( -0.000 -1.362 0.000) 1.362 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 53.902 6.470 0.000) 54.289 1.944 ( 8.395 24.639 -0.000) 26.030 3.356 ( -4.590 -2.159 -0.000) 5.072 3.484 ( 0.687 36.826 -0.000) 36.833 3.949 ( 0.034 3.930 -0.000) 3.930 4.140 ( 6.124 -3.478 0.000) 7.043 4.449 ( 2.305 17.772 -0.000) 17.921 5.568 ( 4.701 -0.270 0.000) 4.708 5.638 ( -16.892 -1.522 -0.000) 16.961 5.864 ( -0.055 8.082 -0.000) 8.082 6.118 ( -1.446 -1.089 -0.000) 1.811 6.969 ( -10.354 -15.867 0.000) 18.946 8.055 ( 18.687 6.081 0.000) 19.651 8.066 ( 0.629 2.026 -0.000) 2.122 8.558 ( 1.447 0.877 0.000) 1.692 8.573 ( 2.520 1.594 0.000) 2.982 8.710 ( -3.579 -6.675 0.000) 7.574 8.952 ( -6.022 -4.704 -0.000) 7.641 9.604 ( 1.457 -21.424 0.000) 21.474 9.816 ( -5.810 -16.945 0.000) 17.913 12.698 ( 8.595 -1.928 0.000) 8.809 13.518 ( 11.775 20.533 -0.000) 23.670 13.681 ( 0.770 -24.162 0.000) 24.174 13.954 ( -4.196 18.254 -0.000) 18.730 14.680 ( -10.625 4.156 -0.000) 11.409 15.361 ( -4.813 -12.878 0.000) 13.748 16.450 ( 0.629 6.041 -0.000) 6.074 16.854 ( -7.019 0.948 -0.000) 7.083 24.417 ( -2.141 -0.053 -0.000) 2.142 24.797 ( -4.579 -6.924 0.000) 8.301 25.267 ( -4.202 2.212 -0.000) 4.749 25.727 ( -2.181 -8.782 0.000) 9.048 26.099 ( 18.726 -2.421 0.000) 18.881 26.998 ( 13.105 -15.879 0.000) 20.589 27.621 ( -1.750 20.370 -0.000) 20.445 28.465 ( -14.408 2.333 -0.000) 14.596 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 9.634 17.661 -0.000) 20.117 2.676 ( 47.440 3.870 0.000) 47.598 3.057 ( -8.850 -8.211 0.000) 12.072 3.618 ( -2.520 -32.249 0.000) 32.348 4.129 ( -0.094 20.882 -0.000) 20.882 4.266 ( 1.866 3.398 -0.000) 3.877 4.820 ( -1.029 18.268 -0.000) 18.297 5.209 ( -20.462 -1.584 -0.000) 20.523 5.787 ( 8.126 6.353 0.000) 10.315 6.017 ( -4.498 -3.435 -0.000) 5.660 6.066 ( 3.635 10.062 -0.000) 10.699 6.459 ( -10.364 -13.744 0.000) 17.213 8.200 ( 3.058 7.311 -0.000) 7.924 8.437 ( -4.073 -4.390 0.000) 5.989 8.589 ( 14.310 3.317 0.000) 14.690 8.619 ( 2.263 1.813 0.000) 2.899 8.724 ( 9.001 0.026 0.000) 9.001 8.752 ( -3.724 -3.615 0.000) 5.190 9.232 ( -1.311 -13.531 0.000) 13.595 9.324 ( -7.647 -15.694 0.000) 17.458 12.901 ( 15.882 -2.218 0.000) 16.036 13.240 ( 1.660 -21.581 0.000) 21.645 14.201 ( 10.830 17.234 -0.000) 20.355 14.254 ( 1.802 19.817 -0.000) 19.899 14.493 ( -16.540 4.890 -0.000) 17.248 14.887 ( -11.970 -17.329 0.000) 21.062 16.582 ( -0.372 6.883 -0.000) 6.893 16.717 ( -7.921 0.920 -0.000) 7.974 24.423 ( 0.872 2.653 -0.000) 2.793 24.565 ( -5.734 -4.552 -0.000) 7.322 25.311 ( 2.956 3.459 -0.000) 4.550 25.497 ( -3.639 -7.613 0.000) 8.438 26.485 ( 25.362 -4.951 0.000) 25.841 26.843 ( 10.685 -24.257 0.000) 26.506 27.954 ( -5.737 20.140 -0.000) 20.941 28.214 ( -19.283 6.898 -0.000) 20.480 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.000 9.337 15.945) 18.477 2.187 ( 0.000 21.111 28.510) 35.476 3.541 ( 0.000 17.237 6.122) 18.292 3.615 ( 0.000 16.563 20.256) 26.165 3.903 ( 0.000 7.251 -5.267) 8.962 4.074 ( -0.000 -5.430 0.879) 5.501 4.420 ( 0.000 18.681 -0.297) 18.683 5.509 ( -0.000 -1.211 -1.383) 1.838 5.511 ( 0.000 2.737 -16.330) 16.558 6.115 ( -0.000 0.072 7.621) 7.622 6.199 ( 0.000 3.302 8.171) 8.813 6.721 ( 0.000 -10.269 -28.357) 30.159 7.843 ( 0.000 9.576 3.237) 10.108 8.106 ( 0.000 2.244 2.111) 3.081 8.443 ( 0.000 0.824 -7.507) 7.552 8.641 ( -0.000 -7.420 5.623) 9.310 8.894 ( -0.000 -4.876 12.106) 13.051 9.151 ( -0.000 -5.167 10.259) 11.486 9.774 ( -0.000 -24.800 17.685) 30.460 9.852 ( -0.000 -16.100 -2.196) 16.249 12.649 ( -0.000 -1.412 3.606) 3.873 13.239 ( 0.000 18.581 -13.667) 23.066 13.660 ( -0.000 -10.131 -0.972) 10.178 14.030 ( 0.000 4.755 1.140) 4.890 14.745 ( 0.000 3.723 -4.513) 5.850 15.000 ( 0.000 -7.997 -32.934) 33.891 16.490 ( -0.000 2.182 7.174) 7.499 17.344 ( -0.000 0.095 30.246) 30.246 24.469 ( -0.000 -1.062 2.434) 2.656 24.817 ( -0.000 -6.833 -2.049) 7.133 25.324 ( 0.000 2.431 -2.247) 3.310 25.626 ( -0.000 -4.681 -7.576) 8.905 25.988 ( -0.000 -4.821 6.707) 8.259 26.548 ( 0.000 -0.077 -27.306) 27.306 27.429 ( 0.000 10.943 -10.501) 15.166 29.039 ( -0.000 -3.640 29.645) 29.867 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 45.771 6.513 6.973) 46.755 2.629 ( 6.006 15.261 20.849) 26.526 3.388 ( -6.602 -7.545 12.970) 16.393 3.705 ( -2.091 -26.720 4.381) 27.158 4.110 ( 5.601 7.302 -5.032) 10.489 4.208 ( 1.719 17.752 8.187) 19.624 4.816 ( -0.607 19.646 -2.641) 19.832 5.487 ( -10.047 2.823 -10.591) 14.869 5.605 ( 4.292 5.869 -3.315) 7.990 5.954 ( -10.101 -0.280 -4.401) 11.022 6.182 ( -3.072 -1.223 3.161) 4.574 6.569 ( 2.992 -8.095 -1.775) 8.811 8.107 ( 5.571 7.824 -2.255) 9.865 8.255 ( 5.351 5.692 1.793) 8.015 8.467 ( 0.327 1.793 -6.626) 6.872 8.536 ( 1.468 -3.458 3.404) 5.070 8.781 ( -1.040 -4.435 10.021) 11.007 9.009 ( -0.458 -6.560 11.037) 12.847 9.369 ( 1.244 -17.757 13.425) 22.295 9.476 ( -4.109 -15.264 2.946) 16.080 12.685 ( 6.543 -1.714 2.412) 7.181 13.256 ( 1.812 -19.881 4.143) 20.388 13.746 ( 9.991 15.448 -15.554) 24.091 14.260 ( -4.577 16.294 -7.447) 18.490 14.701 ( -8.070 -0.746 -11.735) 14.262 14.813 ( -3.680 -5.717 -15.316) 16.757 16.549 ( 0.968 1.986 3.598) 4.223 17.274 ( -8.941 3.823 27.937) 29.581 24.429 ( -1.502 0.117 0.945) 1.778 24.642 ( -4.500 -5.281 -2.370) 7.332 25.326 ( -1.742 2.865 1.024) 3.506 25.561 ( 0.572 -6.276 0.466) 6.319 26.022 ( 14.816 -5.681 0.391) 15.873 26.512 ( 10.671 -15.036 -13.226) 22.691 27.669 ( -3.295 13.659 -21.295) 25.513 28.945 ( -10.733 6.223 26.407) 29.176 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 18.610 -18.610 2.705) 26.457 2.770 ( 12.227 -12.227 -0.484) 17.298 2.980 ( 10.077 -10.077 18.965) 23.723 3.285 ( -3.697 3.697 18.875) 19.586 4.301 ( -1.584 1.584 -4.397) 4.935 4.372 ( 0.040 -0.039 5.316) 5.317 5.098 ( -9.813 9.813 -8.127) 16.083 5.280 ( -12.203 12.203 1.766) 17.347 5.794 ( -1.616 1.616 -6.428) 6.822 5.851 ( -2.562 2.562 -14.432) 14.880 6.090 ( 3.103 -3.103 2.740) 5.173 6.510 ( -0.849 0.849 10.804) 10.871 8.281 ( -1.085 1.085 -5.046) 5.274 8.335 ( 2.745 -2.745 -9.686) 10.435 8.525 ( -1.772 1.772 8.275) 8.646 8.556 ( -1.011 1.011 1.142) 1.830 8.799 ( 5.767 -5.767 -1.195) 8.243 8.877 ( 6.038 -6.038 12.559) 15.186 9.143 ( 4.910 -4.910 13.642) 15.308 9.244 ( 3.168 -3.168 10.903) 11.788 12.790 ( 6.134 -6.134 -1.551) 8.812 13.007 ( 10.536 -10.536 8.742) 17.275 14.194 ( 3.315 -3.315 -22.577) 23.058 14.286 ( -6.915 6.915 -21.242) 23.385 14.571 ( -5.307 5.307 -6.311) 9.807 14.675 ( -7.304 7.304 1.471) 10.433 16.583 ( 0.278 -0.278 2.337) 2.370 17.211 ( -9.217 9.217 26.327) 29.377 24.441 ( -0.444 0.444 -2.270) 2.355 24.502 ( -0.929 0.929 -0.323) 1.353 25.405 ( 0.391 -0.391 2.374) 2.438 25.425 ( 1.360 -1.360 4.899) 5.263 26.191 ( 10.527 -10.527 -9.804) 17.826 26.412 ( 18.296 -18.296 -2.191) 25.967 27.780 ( -9.090 9.090 -24.819) 27.951 28.896 ( -12.204 12.204 25.804) 31.045 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -0.000 6.026 16.813) 17.861 3.057 ( 0.000 9.822 24.228) 26.143 3.656 ( -0.000 -13.389 6.584) 14.921 3.826 ( 0.000 2.917 -12.430) 12.768 3.880 ( -0.000 -13.560 7.349) 15.423 4.509 ( 0.000 13.877 22.475) 26.414 4.734 ( 0.000 15.314 -6.019) 16.455 5.299 ( 0.000 5.019 -11.082) 12.166 5.498 ( 0.000 5.621 -4.064) 6.936 6.119 ( -0.000 -5.821 -13.544) 14.742 6.176 ( -0.000 -2.700 5.117) 5.786 6.467 ( 0.000 5.096 5.616) 7.584 8.034 ( 0.000 3.537 -1.435) 3.817 8.259 ( 0.000 2.341 1.259) 2.658 8.382 ( 0.000 4.160 -2.240) 4.724 8.609 ( -0.000 -0.998 6.271) 6.350 9.012 ( -0.000 -5.824 10.880) 12.341 9.175 ( -0.000 -9.806 5.996) 11.493 9.598 ( -0.000 -8.446 5.953) 10.333 9.678 ( -0.000 -18.112 16.658) 24.608 12.718 ( -0.000 -1.357 5.932) 6.085 13.250 ( 0.000 11.600 -13.664) 17.924 13.368 ( -0.000 -16.979 -0.418) 16.984 14.000 ( 0.000 3.505 -25.666) 25.904 14.402 ( 0.000 4.899 -10.540) 11.623 14.695 ( 0.000 3.453 -7.727) 8.463 16.683 ( -0.000 0.416 9.372) 9.381 17.922 ( -0.000 2.513 24.124) 24.254 24.510 ( -0.000 -1.142 3.802) 3.970 24.668 ( -0.000 -5.439 0.078) 5.439 25.314 ( 0.000 2.718 -4.104) 4.922 25.495 ( 0.000 -0.019 -1.459) 1.459 25.968 ( -0.000 -7.052 -4.715) 8.483 26.031 ( -0.000 -4.918 -11.068) 12.111 27.363 ( 0.000 5.529 -11.942) 13.160 29.528 ( -0.000 3.682 19.695) 20.037 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 38.204 4.321 10.569) 39.874 2.894 ( -2.024 -36.316 5.761) 36.826 3.338 ( 2.958 -1.736 25.780) 26.007 3.652 ( -8.400 1.018 0.084) 8.462 4.040 ( 9.293 0.951 -10.435) 14.006 4.602 ( 1.152 -3.706 20.002) 20.376 4.972 ( -1.835 8.600 -14.542) 16.994 5.445 ( -2.751 11.510 -6.280) 13.397 5.649 ( -4.241 7.700 -9.361) 12.841 5.848 ( -10.331 2.063 0.624) 10.553 6.151 ( 0.842 -3.987 4.944) 6.406 6.624 ( 4.326 1.032 3.720) 5.799 8.085 ( 2.018 0.549 -6.718) 7.036 8.196 ( -1.995 -3.773 -6.065) 7.417 8.501 ( 7.088 0.070 -4.382) 8.334 8.720 ( 2.613 4.270 10.534) 11.663 8.846 ( -4.972 -3.568 11.305) 12.855 9.030 ( 1.749 -5.954 10.649) 12.326 9.422 ( 1.226 -7.092 17.202) 18.647 9.461 ( 0.692 -6.054 12.911) 14.276 12.727 ( 3.221 -1.335 5.075) 6.157 13.028 ( 4.546 -15.043 7.294) 17.325 13.575 ( 6.534 7.782 -22.155) 24.374 13.919 ( -6.055 -2.740 -29.153) 29.901 14.537 ( -4.267 9.721 -7.284) 12.874 14.734 ( -2.537 2.956 -6.209) 7.330 16.694 ( 1.673 -1.248 9.872) 10.090 17.917 ( -9.206 8.016 22.834) 25.892 24.458 ( -2.487 0.138 2.191) 3.317 24.538 ( -2.799 -1.897 -0.182) 3.386 25.390 ( 2.035 1.599 -1.999) 3.270 25.515 ( 2.322 -2.076 4.395) 5.386 25.896 ( 7.462 -8.068 0.701) 11.012 25.954 ( 9.293 -11.844 -13.264) 20.065 27.467 ( -2.536 5.864 -17.990) 19.091 29.564 ( -8.647 9.218 19.415) 23.166 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -0.000 2.993 9.063) 9.544 3.007 ( -0.000 -35.204 1.993) 35.261 3.593 ( 0.000 0.328 -11.779) 11.784 3.669 ( -0.000 -0.524 0.007) 0.524 3.901 ( -0.000 -4.127 18.137) 18.600 4.669 ( 0.000 1.142 -15.486) 15.528 4.949 ( -0.000 -4.302 11.328) 12.117 5.317 ( 0.000 10.959 -6.466) 12.724 5.537 ( 0.000 7.209 -8.093) 10.838 6.020 ( 0.000 5.567 2.594) 6.142 6.234 ( -0.000 -1.694 5.246) 5.513 6.582 ( 0.000 1.743 -1.174) 2.101 7.974 ( 0.000 -0.928 -3.890) 3.999 8.125 ( -0.000 -6.360 -4.175) 7.608 8.306 ( -0.000 -6.070 -6.192) 8.671 8.888 ( 0.000 6.346 7.634) 9.928 9.131 ( -0.000 -2.170 12.133) 12.326 9.258 ( -0.000 2.970 12.742) 13.084 9.674 ( -0.000 -2.527 8.878) 9.231 9.744 ( -0.000 -8.558 16.803) 18.857 12.816 ( -0.000 -0.861 5.855) 5.918 13.010 ( 0.000 -3.713 -11.689) 12.265 13.227 ( -0.000 -0.897 0.309) 0.949 13.492 ( 0.000 -4.578 -16.652) 17.270 14.448 ( 0.000 8.678 -6.495) 10.840 14.586 ( 0.000 2.012 -8.407) 8.644 16.869 ( -0.000 0.402 8.563) 8.573 18.370 ( 0.000 6.085 11.589) 13.090 24.569 ( -0.000 -0.762 3.986) 4.058 24.616 ( -0.000 -3.734 4.046) 5.505 25.269 ( 0.000 1.881 -4.987) 5.330 25.451 ( 0.000 -0.749 -11.419) 11.443 25.616 ( -0.000 -2.214 -0.677) 2.315 25.950 ( -0.000 -8.213 5.017) 9.624 27.202 ( 0.000 0.735 -9.913) 9.940 29.967 ( 0.000 9.083 11.492) 14.648 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 15.159 -15.159 5.183) 22.056 2.269 ( 16.906 -16.906 5.677) 24.573 3.543 ( -2.699 2.699 -9.758) 10.479 3.724 ( 5.508 -5.508 -9.854) 12.561 3.864 ( 0.814 -0.814 23.035) 23.064 4.678 ( 0.531 -0.531 -19.189) 19.203 4.884 ( 3.811 -3.811 11.063) 12.306 5.524 ( -4.859 4.859 -10.580) 12.616 5.537 ( -4.784 4.784 -7.968) 10.454 6.057 ( -7.114 7.114 5.653) 11.540 6.226 ( 1.039 -1.039 6.324) 6.493 6.621 ( 2.312 -2.312 -2.185) 3.933 7.961 ( 0.158 -0.158 -5.109) 5.114 8.042 ( -0.473 0.473 -4.549) 4.598 8.245 ( 6.954 -6.954 -7.227) 12.204 8.934 ( 1.998 -1.998 6.851) 7.411 9.128 ( -2.756 2.756 16.498) 16.952 9.302 ( -3.568 3.568 15.679) 16.471 9.634 ( 1.420 -1.420 10.477) 10.668 9.665 ( 3.673 -3.673 16.244) 17.054 12.822 ( 1.234 -1.234 6.175) 6.417 12.915 ( 5.526 -5.526 1.694) 7.996 13.303 ( 0.362 -0.362 -9.915) 9.928 13.400 ( -0.630 0.630 -19.500) 19.521 14.527 ( -4.894 4.894 -8.143) 10.687 14.622 ( -0.461 0.461 -8.476) 8.501 16.874 ( 0.929 -0.929 10.171) 10.255 18.423 ( -7.375 7.375 10.771) 14.993 24.547 ( -1.066 1.066 5.492) 5.695 24.550 ( -0.993 0.993 1.748) 2.242 25.281 ( -0.179 0.179 -8.289) 8.293 25.502 ( 9.452 -9.452 -7.605) 15.379 25.620 ( 1.687 -1.687 5.869) 6.336 25.828 ( 2.671 -2.671 2.619) 4.597 27.218 ( -0.745 0.745 -12.942) 12.984 30.057 ( -7.640 7.640 12.510) 16.530 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.000 0.237 -7.657) 7.661 2.233 ( -0.000 -32.007 -8.434) 33.099 3.467 ( 0.000 0.576 -0.807) 0.992 3.530 ( -0.000 -5.122 -0.069) 5.123 4.228 ( -0.000 1.084 11.213) 11.265 4.297 ( 0.000 -4.183 -16.454) 16.977 4.770 ( 0.000 -6.390 -18.619) 19.685 5.351 ( 0.000 6.089 -8.163) 10.184 5.426 ( 0.000 -0.241 -8.723) 8.726 6.243 ( 0.000 5.602 3.766) 6.750 6.302 ( -0.000 -0.159 2.812) 2.817 6.510 ( 0.000 -1.171 -5.417) 5.542 7.873 ( 0.000 -1.683 -5.232) 5.496 8.005 ( 0.000 0.411 -0.436) 0.599 8.071 ( -0.000 -4.656 -1.745) 4.972 9.002 ( -0.000 -1.888 2.834) 3.405 9.500 ( 0.000 10.959 11.806) 16.108 9.640 ( 0.000 6.299 11.099) 12.761 9.785 ( -0.000 -1.369 7.129) 7.259 9.940 ( -0.000 -9.362 20.566) 22.597 12.810 ( 0.000 4.869 -8.906) 10.150 12.894 ( -0.000 -0.136 2.409) 2.413 13.166 ( -0.000 -9.827 -3.600) 10.466 13.299 ( -0.000 -0.112 9.622) 9.623 14.446 ( 0.000 2.718 -4.346) 5.126 14.468 ( 0.000 0.300 -4.965) 4.974 17.042 ( -0.000 1.706 6.852) 7.061 18.580 ( 0.000 5.501 -3.139) 6.334 24.628 ( -0.000 -0.101 2.336) 2.338 24.656 ( -0.000 -2.805 4.770) 5.533 25.201 ( 0.000 0.470 -7.847) 7.861 25.202 ( 0.000 0.534 -3.678) 3.717 25.696 ( -0.000 0.445 4.751) 4.772 25.880 ( -0.000 -6.911 3.782) 7.879 27.037 ( -0.000 -1.848 -4.564) 4.924 30.328 ( 0.000 9.027 5.959) 10.816 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( -6.032 6.032 5.405) 10.098 3.444 ( -1.338 1.338 -2.938) 3.495 3.637 ( -10.434 10.434 -4.436) 15.409 3.889 ( 0.735 -0.735 4.928) 5.036 4.398 ( -5.758 5.758 -3.446) 8.842 4.572 ( 1.419 -1.419 2.206) 2.983 5.096 ( -0.534 0.534 -0.421) 0.865 5.127 ( 2.132 -2.132 -0.742) 3.105 5.135 ( 0.247 -0.247 4.199) 4.213 5.300 ( 8.678 -8.678 -1.760) 12.399 6.541 ( -3.183 3.183 -2.490) 5.144 6.648 ( 1.576 -1.576 2.351) 3.240 8.219 ( -6.908 6.908 0.616) 9.788 8.252 ( -8.796 8.796 0.294) 12.443 8.507 ( 4.442 -4.442 2.902) 6.920 8.660 ( 9.882 -9.882 -2.377) 14.176 8.969 ( -3.720 3.720 -0.082) 5.261 9.192 ( 5.637 -5.637 -1.788) 8.170 10.006 ( -5.257 5.257 1.221) 7.534 10.186 ( 2.933 -2.933 -3.486) 5.418 12.969 ( -4.734 4.734 2.731) 7.230 13.110 ( -2.931 2.931 8.047) 9.052 13.163 ( 1.381 -1.381 -11.882) 12.042 13.354 ( 5.018 -5.018 2.114) 7.405 14.351 ( -3.233 3.233 -2.739) 5.330 14.465 ( 1.749 -1.749 2.214) 3.319 17.151 ( -6.814 6.814 0.119) 9.637 17.563 ( 12.963 -12.963 0.178) 18.334 24.290 ( 2.137 -2.137 0.578) 3.077 24.296 ( 2.685 -2.685 -0.786) 3.878 25.681 ( -7.944 7.944 -2.882) 11.598 25.802 ( -3.874 3.874 7.076) 8.949 25.916 ( 3.156 -3.156 -4.235) 6.153 25.927 ( 2.084 -2.084 0.603) 3.009 28.016 ( -21.417 21.417 -1.894) 30.347 28.906 ( 21.732 -21.732 1.226) 30.759 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.000 -0.000 -20.445) 20.445 1.566 ( 0.000 -0.000 -20.445) 20.445 3.547 ( -0.000 0.000 6.092) 6.092 3.547 ( -0.000 0.000 6.092) 6.092 3.941 ( 0.000 -0.000 -12.796) 12.796 4.020 ( 0.000 -0.000 -47.220) 47.220 4.307 ( 0.000 -0.000 -5.033) 5.033 5.273 ( 0.000 -0.000 -4.018) 4.018 5.273 ( 0.000 -0.000 -4.018) 4.018 6.314 ( 0.000 -0.000 -1.831) 1.831 6.314 ( 0.000 -0.000 -1.831) 1.831 6.371 ( 0.000 -0.000 -6.619) 6.619 7.712 ( 0.000 -0.000 -6.967) 6.967 8.083 ( -0.000 0.000 5.465) 5.465 8.083 ( -0.000 0.000 5.465) 5.465 9.013 ( -0.000 0.000 0.847) 0.847 9.712 ( 0.000 -0.000 -5.228) 5.228 9.712 ( 0.000 -0.000 -5.228) 5.228 10.036 ( -0.000 0.000 13.318) 13.318 10.368 ( -0.000 0.000 33.369) 33.369 12.827 ( 0.000 -0.000 -7.276) 7.276 12.887 ( 0.000 -0.000 -3.088) 3.088 12.887 ( 0.000 -0.000 -3.088) 3.088 13.669 ( -0.000 0.000 27.619) 27.619 14.435 ( -0.000 0.000 1.742) 1.742 14.435 ( -0.000 0.000 1.742) 1.742 17.189 ( -0.000 0.000 4.706) 4.706 18.439 ( 0.000 -0.000 -16.869) 16.869 24.637 ( 0.000 -0.000 -1.637) 1.637 24.637 ( 0.000 -0.000 -1.637) 1.637 25.170 ( -0.000 0.000 0.342) 0.342 25.170 ( -0.000 0.000 0.342) 0.342 25.762 ( -0.000 0.000 2.475) 2.475 25.877 ( -0.000 0.000 3.732) 3.732 26.992 ( -0.000 0.000 2.659) 2.659 30.521 ( -0.000 0.000 2.451) 2.451 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 11.138 11.138 -9.328) 18.307 3.459 ( 1.116 1.116 -1.243) 2.009 3.722 ( 6.911 6.911 3.874) 10.513 3.765 ( 1.975 1.975 -7.918) 8.396 4.434 ( 3.537 3.537 -0.175) 5.005 4.519 ( -0.551 -0.551 -3.891) 3.969 4.867 ( 4.711 4.711 -18.258) 19.436 5.044 ( -5.175 -5.175 -6.430) 9.743 5.210 ( 1.631 1.631 8.453) 8.762 5.398 ( -8.037 -8.037 6.699) 13.194 6.562 ( 0.612 0.612 -6.212) 6.272 6.564 ( 0.242 0.242 -0.180) 0.387 8.219 ( 6.014 6.014 1.134) 8.580 8.239 ( 10.162 10.162 -1.155) 14.417 8.436 ( -2.214 -2.214 -3.722) 4.865 8.670 ( -10.161 -10.161 -1.528) 14.451 8.972 ( 3.084 3.084 -0.126) 4.363 9.242 ( -8.179 -8.179 3.070) 11.967 9.882 ( 5.330 5.330 -10.972) 13.312 10.154 ( -7.585 -7.585 -6.883) 12.745 13.013 ( 5.527 5.527 6.441) 10.128 13.046 ( 2.541 2.541 0.911) 3.708 13.421 ( -0.298 -0.298 9.178) 9.187 13.494 ( -3.364 -3.364 21.134) 21.663 14.352 ( 0.461 0.461 -2.839) 2.913 14.403 ( -1.410 -1.410 -3.449) 3.984 17.076 ( 6.710 6.710 -7.325) 11.988 17.466 ( -11.959 -11.959 -9.468) 19.383 24.296 ( -1.402 -1.402 1.150) 2.292 24.333 ( -3.427 -3.427 2.918) 5.657 25.633 ( 4.383 4.383 -8.130) 10.223 25.715 ( 2.184 2.184 -0.527) 3.133 26.028 ( 1.465 1.465 11.830) 12.010 26.101 ( -0.510 -0.510 12.338) 12.359 28.011 ( 18.489 18.489 -2.416) 26.258 28.806 ( -20.312 -20.312 -9.022) 30.109 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.000 11.651 -0.000) 11.651 1.857 ( 0.000 26.599 -0.000) 26.599 3.399 ( 0.000 6.263 -0.000) 6.263 3.481 ( 0.000 29.441 -0.000) 29.441 3.955 ( 0.000 8.513 -0.000) 8.513 4.067 ( -0.000 -6.442 0.000) 6.442 4.424 ( 0.000 19.539 -0.000) 19.539 5.520 ( -0.000 -1.334 0.000) 1.334 5.836 ( -0.000 -0.574 0.000) 0.574 5.864 ( 0.000 7.970 -0.000) 7.970 6.132 ( -0.000 -0.630 0.000) 0.630 7.109 ( -0.000 -21.053 0.000) 21.053 7.809 ( 0.000 9.875 -0.000) 9.875 8.059 ( 0.000 1.451 -0.000) 1.451 8.539 ( 0.000 0.340 -0.000) 0.340 8.554 ( 0.000 1.050 -0.000) 1.050 8.744 ( -0.000 -7.009 0.000) 7.009 9.025 ( -0.000 -4.685 0.000) 4.685 9.572 ( -0.000 -21.526 0.000) 21.526 9.875 ( -0.000 -17.314 0.000) 17.314 12.612 ( -0.000 -1.398 0.000) 1.398 13.394 ( 0.000 20.698 -0.000) 20.698 13.672 ( -0.000 -24.340 0.000) 24.340 13.999 ( 0.000 17.526 -0.000) 17.526 14.792 ( 0.000 3.818 -0.000) 3.818 15.408 ( -0.000 -12.400 0.000) 12.400 16.444 ( 0.000 6.661 -0.000) 6.661 16.935 ( 0.000 0.709 -0.000) 0.709 24.444 ( -0.000 -0.980 0.000) 0.980 24.841 ( -0.000 -6.887 0.000) 6.887 25.347 ( 0.000 2.519 -0.000) 2.519 25.747 ( -0.000 -9.106 0.000) 9.106 25.872 ( -0.000 -4.403 0.000) 4.403 26.852 ( -0.000 -12.958 0.000) 12.958 27.639 ( 0.000 21.320 -0.000) 21.320 28.616 ( 0.000 0.539 -0.000) 0.539 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 50.460 6.262 0.000) 50.847 2.400 ( 5.572 20.502 -0.000) 21.245 3.223 ( -6.099 -7.140 0.000) 9.391 3.661 ( -1.700 -31.618 0.000) 31.664 4.133 ( -0.181 23.413 -0.000) 23.414 4.171 ( 5.499 5.693 -0.000) 7.915 4.841 ( -0.799 21.155 -0.000) 21.170 5.618 ( -18.414 -0.411 -0.000) 18.419 5.633 ( 6.148 6.176 -0.000) 8.714 6.036 ( 0.365 8.595 -0.000) 8.603 6.087 ( -2.488 -2.062 0.000) 3.232 6.619 ( -5.190 -17.762 0.000) 18.505 8.157 ( 1.369 6.708 -0.000) 6.847 8.197 ( 15.898 7.664 0.000) 17.649 8.577 ( 2.633 0.879 0.000) 2.776 8.578 ( -3.058 -6.205 0.000) 6.918 8.591 ( 3.126 0.038 0.000) 3.127 8.853 ( -5.508 -5.177 0.000) 7.559 9.224 ( 1.948 -15.842 0.000) 15.961 9.455 ( -4.774 -18.556 0.000) 19.160 12.661 ( 7.872 -1.698 0.000) 8.053 13.213 ( 0.962 -21.728 0.000) 21.749 13.912 ( 11.430 18.222 -0.000) 21.510 14.326 ( -3.137 18.431 -0.000) 18.696 14.766 ( -10.048 4.186 -0.000) 10.885 15.063 ( -5.581 -16.358 0.000) 17.284 16.591 ( -0.383 7.956 -0.000) 7.965 16.874 ( -6.768 1.026 -0.000) 6.845 24.419 ( -0.298 0.342 -0.000) 0.454 24.669 ( -4.003 -6.066 0.000) 7.268 25.317 ( -3.933 2.731 -0.000) 4.789 25.550 ( -1.691 -8.242 0.000) 8.414 26.020 ( 20.256 -4.819 0.000) 20.821 26.641 ( 8.310 -19.344 0.000) 21.053 28.039 ( -2.839 20.625 -0.000) 20.819 28.531 ( -11.518 3.996 -0.000) 12.191 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -0.729 -35.053 0.000) 35.060 2.735 ( 35.053 0.729 0.000) 35.060 2.915 ( 1.852 -2.907 0.000) 3.447 2.915 ( 2.907 -1.852 0.000) 3.447 4.341 ( -3.445 1.441 -0.000) 3.734 4.341 ( -1.441 3.445 -0.000) 3.734 5.220 ( -20.274 3.280 -0.000) 20.537 5.220 ( -3.280 20.274 -0.000) 20.537 5.918 ( -4.694 -5.465 0.000) 7.204 5.918 ( 5.465 4.694 0.000) 7.204 6.247 ( -3.280 -2.439 0.000) 4.087 6.247 ( 2.439 3.280 0.000) 4.087 8.354 ( -6.026 -2.191 -0.000) 6.412 8.354 ( 2.191 6.026 -0.000) 6.412 8.607 ( 4.518 -6.794 0.000) 8.160 8.607 ( 6.794 -4.518 0.000) 8.160 8.677 ( 0.434 -2.046 0.000) 2.091 8.677 ( 2.046 -0.434 0.000) 2.091 9.080 ( 3.061 -6.190 0.000) 6.906 9.080 ( 6.190 -3.061 0.000) 6.906 12.862 ( 3.181 -14.011 0.000) 14.368 12.862 ( 14.011 -3.181 0.000) 14.368 14.509 ( -12.560 -12.831 0.000) 17.955 14.509 ( 12.831 12.560 -0.000) 17.955 14.615 ( -15.342 0.853 -0.000) 15.366 14.615 ( -0.853 15.342 -0.000) 15.366 16.739 ( -5.516 4.116 0.000) 6.882 16.739 ( -4.116 5.516 0.000) 6.882 24.486 ( -3.023 -2.981 0.000) 4.245 24.486 ( 2.981 3.023 -0.000) 4.245 25.376 ( -2.895 -3.765 0.000) 4.750 25.376 ( 3.765 2.895 0.000) 4.750 26.361 ( 8.486 -21.645 0.000) 23.249 26.361 ( 21.645 -8.486 0.000) 23.249 28.337 ( -12.426 10.038 -0.000) 15.974 28.337 ( -10.038 12.426 0.000) 15.974 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 8.318 13.144) 15.555 2.571 ( 0.000 16.647 21.102) 26.877 3.458 ( -0.000 -8.102 13.376) 15.638 3.733 ( -0.000 -26.159 5.782) 26.790 4.030 ( 0.000 5.272 -7.520) 9.184 4.198 ( 0.000 21.244 7.784) 22.625 4.822 ( 0.000 21.053 -2.857) 21.246 5.554 ( 0.000 5.844 -1.560) 6.049 5.579 ( 0.000 4.071 -16.301) 16.801 6.085 ( -0.000 -2.531 3.694) 4.478 6.297 ( 0.000 5.706 11.254) 12.618 6.452 ( -0.000 -14.967 -17.681) 23.165 8.031 ( 0.000 8.631 1.213) 8.715 8.207 ( 0.000 6.793 4.139) 7.954 8.464 ( 0.000 1.443 -5.599) 5.782 8.520 ( -0.000 -4.503 1.341) 4.699 8.792 ( -0.000 -5.288 11.221) 12.404 9.027 ( -0.000 -7.356 8.163) 10.988 9.347 ( -0.000 -17.315 14.539) 22.610 9.520 ( -0.000 -16.218 1.982) 16.338 12.620 ( -0.000 -1.385 3.591) 3.848 13.238 ( -0.000 -19.816 3.308) 20.090 13.640 ( 0.000 15.484 -14.188) 21.001 14.307 ( 0.000 16.433 -5.972) 17.484 14.811 ( 0.000 -10.487 -26.021) 28.055 14.823 ( 0.000 3.904 -4.744) 6.143 16.540 ( 0.000 2.340 2.733) 3.598 17.371 ( -0.000 2.936 29.608) 29.753 24.448 ( -0.000 -1.035 2.294) 2.517 24.690 ( -0.000 -6.127 -1.652) 6.345 25.381 ( 0.000 3.170 -2.491) 4.032 25.528 ( -0.000 -4.740 -2.324) 5.279 25.853 ( -0.000 -7.813 6.900) 10.424 26.401 ( -0.000 -12.633 -14.940) 19.566 27.703 ( 0.000 14.700 -22.234) 26.655 29.057 ( -0.000 4.478 26.798) 27.169 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 44.521 4.898 6.780) 45.300 2.816 ( -1.076 -24.592 1.205) 24.645 2.889 ( 1.725 -13.332 16.211) 21.060 3.421 ( -6.739 0.210 21.726) 22.748 4.208 ( 7.727 3.664 -6.252) 10.593 4.391 ( -1.474 -0.475 1.426) 2.105 5.206 ( -3.092 18.064 -7.864) 19.943 5.570 ( -11.778 6.017 -5.637) 14.377 5.754 ( 3.545 7.916 -1.725) 8.844 5.940 ( -6.208 -0.771 -8.084) 10.222 6.093 ( -3.171 -6.704 -0.606) 7.441 6.493 ( 3.755 -0.505 9.237) 9.984 8.227 ( 4.564 3.628 -6.940) 9.064 8.320 ( -0.161 0.755 -5.278) 5.334 8.506 ( 1.881 2.839 5.856) 6.775 8.545 ( 3.408 2.924 2.654) 5.217 8.691 ( 1.080 -4.497 5.277) 7.017 8.842 ( -0.117 -9.911 7.124) 12.206 9.102 ( 0.800 -8.515 13.263) 15.781 9.226 ( -0.642 -9.086 10.216) 13.687 12.653 ( 5.714 -1.415 2.363) 6.343 12.894 ( 2.409 -15.070 5.378) 16.181 14.008 ( 8.899 9.339 -19.381) 23.282 14.459 ( -6.669 -3.019 -21.516) 22.727 14.660 ( -2.854 7.780 -4.647) 9.501 14.830 ( -6.369 3.133 -3.234) 7.800 16.577 ( 0.256 0.769 -0.889) 1.203 17.386 ( -7.173 6.884 29.405) 31.040 24.433 ( 0.457 0.264 0.527) 0.746 24.545 ( -2.160 -4.413 -0.327) 4.924 25.382 ( -1.426 2.448 1.287) 3.111 25.454 ( -1.089 -3.891 2.457) 4.729 25.908 ( 15.661 -5.190 -1.451) 16.562 26.167 ( 6.547 -18.054 -7.509) 20.620 27.921 ( -4.794 10.777 -27.070) 29.528 29.104 ( -7.782 8.656 26.595) 29.031 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -0.000 4.779 14.863) 15.613 2.913 ( -0.000 -35.288 5.748) 35.753 3.312 ( -0.000 -2.419 26.388) 26.498 3.805 ( 0.000 1.634 3.240) 3.629 3.867 ( 0.000 1.264 -14.333) 14.388 4.593 ( -0.000 -4.547 19.094) 19.628 4.990 ( 0.000 9.414 -15.898) 18.476 5.462 ( 0.000 11.409 -8.550) 14.257 5.682 ( 0.000 10.873 -4.792) 11.882 6.025 ( -0.000 -3.206 -4.418) 5.459 6.119 ( -0.000 -2.816 5.987) 6.616 6.553 ( 0.000 2.973 4.411) 5.319 8.069 ( 0.000 0.669 -5.419) 5.461 8.222 ( -0.000 -3.342 -5.483) 6.421 8.423 ( 0.000 -1.639 -5.348) 5.593 8.689 ( 0.000 5.416 11.773) 12.959 8.890 ( -0.000 -5.964 11.630) 13.070 9.016 ( -0.000 -4.234 11.001) 11.788 9.408 ( -0.000 -8.528 17.042) 19.056 9.462 ( -0.000 -5.480 11.839) 13.046 12.693 ( -0.000 -1.073 6.022) 6.117 12.986 ( -0.000 -15.635 6.606) 16.974 13.504 ( 0.000 8.635 -21.010) 22.715 13.981 ( 0.000 -3.188 -29.699) 29.869 14.580 ( 0.000 10.449 -6.346) 12.225 14.760 ( 0.000 2.913 -8.403) 8.894 16.677 ( -0.000 -1.075 9.545) 9.606 18.016 ( -0.000 6.621 23.733) 24.639 24.489 ( -0.000 -0.892 3.774) 3.878 24.570 ( -0.000 -4.290 0.923) 4.388 25.369 ( 0.000 2.666 -4.750) 5.447 25.485 ( -0.000 -1.032 2.413) 2.625 25.774 ( -0.000 -10.668 -2.501) 10.957 25.898 ( -0.000 -7.695 -6.448) 10.039 27.495 ( 0.000 6.879 -19.655) 20.824 29.654 ( -0.000 7.793 20.009) 21.473 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 17.061 -17.061 9.886) 26.075 2.099 ( 18.534 -18.534 9.838) 27.996 3.324 ( 0.783 -0.783 26.583) 26.606 3.735 ( -5.956 5.956 -5.532) 10.077 4.003 ( 4.869 -4.869 -14.453) 16.009 4.486 ( 5.309 -5.309 23.762) 24.920 5.083 ( -3.101 3.101 -21.025) 21.477 5.685 ( -7.669 7.669 -6.389) 12.587 5.740 ( -4.739 4.739 -10.967) 12.852 5.939 ( -5.346 5.346 5.755) 9.501 6.091 ( 1.619 -1.619 6.933) 7.301 6.610 ( 2.309 -2.309 3.518) 4.800 8.084 ( 0.092 -0.092 -7.322) 7.323 8.168 ( -0.741 0.741 -7.991) 8.060 8.401 ( 7.029 -7.029 -8.409) 13.020 8.760 ( 1.544 -1.544 10.095) 10.329 8.807 ( 0.399 -0.399 15.207) 15.217 8.991 ( -1.151 1.151 15.335) 15.421 9.342 ( 1.311 -1.311 16.620) 16.723 9.385 ( 2.157 -2.157 14.070) 14.397 12.700 ( 1.547 -1.547 5.476) 5.896 12.806 ( 6.737 -6.737 6.999) 11.822 13.625 ( 1.815 -1.815 -20.919) 21.076 13.914 ( -2.104 2.104 -28.815) 28.968 14.701 ( -5.815 5.815 -8.549) 11.862 14.784 ( -1.964 1.964 -7.294) 7.805 16.664 ( 1.413 -1.413 9.647) 9.852 18.079 ( -6.903 6.903 23.602) 25.541 24.464 ( -0.540 0.540 2.869) 2.969 24.513 ( 0.924 -0.924 1.910) 2.314 25.412 ( -0.501 0.501 -4.216) 4.275 25.471 ( 1.972 -1.972 5.031) 5.753 25.696 ( 9.394 -9.394 -7.839) 15.425 25.801 ( 4.035 -4.035 -0.217) 5.711 27.571 ( -3.912 3.912 -22.410) 23.083 29.730 ( -6.469 6.469 20.376) 22.336 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -0.000 1.746 7.329) 7.534 2.263 ( -0.000 -33.680 4.858) 34.028 3.597 ( 0.000 0.051 -11.820) 11.820 3.634 ( 0.000 -2.813 -9.447) 9.857 3.858 ( -0.000 -0.738 24.248) 24.259 4.671 ( 0.000 -0.401 -21.024) 21.028 4.844 ( -0.000 -4.648 10.820) 11.776 5.533 ( 0.000 9.224 -9.648) 13.348 5.626 ( 0.000 1.604 -10.954) 11.071 6.143 ( 0.000 5.703 6.129) 8.372 6.211 ( -0.000 -0.593 6.156) 6.185 6.587 ( -0.000 -1.046 -1.943) 2.207 7.969 ( 0.000 0.889 -5.105) 5.181 8.057 ( 0.000 -0.696 -4.680) 4.732 8.161 ( -0.000 -7.256 -6.659) 9.849 8.906 ( -0.000 -2.442 6.983) 7.397 9.153 ( -0.000 2.244 19.632) 19.760 9.345 ( -0.000 4.517 16.625) 17.227 9.625 ( -0.000 -3.307 14.091) 14.474 9.625 ( -0.000 -2.242 10.467) 10.705 12.803 ( -0.000 -0.490 6.169) 6.189 12.865 ( -0.000 -6.531 3.906) 7.610 13.284 ( 0.000 2.315 -9.477) 9.756 13.421 ( 0.000 -1.855 -21.279) 21.359 14.584 ( 0.000 4.673 -8.701) 9.877 14.619 ( 0.000 1.189 -9.408) 9.483 16.863 ( -0.000 -0.708 10.770) 10.793 18.505 ( 0.000 6.186 10.887) 12.522 24.557 ( -0.000 -0.422 4.244) 4.265 24.566 ( -0.000 -1.410 4.063) 4.301 25.301 ( 0.000 1.206 -5.781) 5.906 25.373 ( -0.000 -5.057 -8.531) 9.917 25.596 ( -0.000 -0.624 4.454) 4.498 25.808 ( -0.000 -4.941 3.265) 5.922 27.228 ( 0.000 1.389 -14.741) 14.807 30.137 ( 0.000 6.870 13.350) 15.014 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.000 -0.000 -8.537) 8.537 1.867 ( 0.000 -0.000 -8.537) 8.537 3.474 ( 0.000 -0.000 -0.337) 0.337 3.474 ( 0.000 -0.000 -0.337) 0.337 4.240 ( -0.000 0.000 12.122) 12.122 4.252 ( 0.000 -0.000 -18.486) 18.486 4.704 ( 0.000 -0.000 -20.344) 20.344 5.417 ( 0.000 -0.000 -9.837) 9.837 5.417 ( 0.000 -0.000 -9.837) 9.837 6.302 ( -0.000 0.000 2.886) 2.886 6.302 ( -0.000 0.000 2.886) 2.886 6.493 ( 0.000 -0.000 -5.363) 5.363 7.856 ( 0.000 -0.000 -7.418) 7.418 8.021 ( -0.000 0.000 0.613) 0.613 8.021 ( -0.000 0.000 0.613) 0.613 8.975 ( -0.000 0.000 3.252) 3.252 9.719 ( -0.000 0.000 31.057) 31.057 9.736 ( -0.000 0.000 3.004) 3.004 9.736 ( -0.000 0.000 3.004) 3.004 9.740 ( -0.000 0.000 16.348) 16.348 12.893 ( -0.000 0.000 2.661) 2.661 12.893 ( -0.000 0.000 2.661) 2.661 13.032 ( 0.000 -0.000 -14.275) 14.275 13.299 ( -0.000 0.000 9.297) 9.297 14.471 ( 0.000 -0.000 -5.505) 5.505 14.471 ( 0.000 -0.000 -5.505) 5.505 17.057 ( -0.000 0.000 8.644) 8.644 18.644 ( 0.000 -0.000 -3.598) 3.598 24.627 ( -0.000 0.000 2.575) 2.575 24.627 ( -0.000 0.000 2.575) 2.575 25.208 ( 0.000 -0.000 -4.075) 4.075 25.208 ( 0.000 -0.000 -4.075) 4.075 25.688 ( -0.000 0.000 4.913) 4.913 25.812 ( -0.000 0.000 2.823) 2.823 27.019 ( 0.000 -0.000 -6.124) 6.124 30.425 ( -0.000 0.000 7.584) 7.584 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.000 9.628 -0.000) 9.628 2.343 ( 0.000 21.646 -0.000) 21.646 3.286 ( -0.000 -6.646 0.000) 6.646 3.680 ( -0.000 -31.908 0.000) 31.908 4.107 ( 0.000 6.447 -0.000) 6.447 4.135 ( 0.000 24.267 -0.000) 24.267 4.850 ( 0.000 22.627 -0.000) 22.627 5.568 ( 0.000 5.679 -0.000) 5.679 5.830 ( -0.000 -0.033 0.000) 0.033 6.034 ( 0.000 8.417 -0.000) 8.417 6.114 ( -0.000 -1.109 0.000) 1.109 6.667 ( -0.000 -21.947 0.000) 21.947 8.014 ( 0.000 10.352 -0.000) 10.352 8.143 ( 0.000 6.545 -0.000) 6.545 8.542 ( -0.000 -0.112 0.000) 0.112 8.570 ( 0.000 0.451 -0.000) 0.451 8.607 ( -0.000 -6.357 0.000) 6.357 8.922 ( -0.000 -5.510 0.000) 5.510 9.191 ( -0.000 -16.013 0.000) 16.013 9.504 ( -0.000 -19.251 0.000) 19.251 12.584 ( -0.000 -1.376 0.000) 1.376 13.203 ( -0.000 -21.691 0.000) 21.691 13.792 ( 0.000 18.423 -0.000) 18.423 14.359 ( 0.000 17.861 -0.000) 17.861 14.871 ( 0.000 4.006 -0.000) 4.006 15.117 ( -0.000 -16.231 0.000) 16.231 16.595 ( 0.000 8.372 -0.000) 8.372 16.948 ( 0.000 0.647 -0.000) 0.647 24.424 ( -0.000 -0.960 0.000) 0.960 24.710 ( -0.000 -6.543 0.000) 6.543 25.407 ( 0.000 3.317 -0.000) 3.317 25.567 ( -0.000 -8.334 0.000) 8.334 25.765 ( -0.000 -5.727 0.000) 5.727 26.551 ( -0.000 -16.838 0.000) 16.838 28.068 ( 0.000 20.821 -0.000) 20.821 28.650 ( 0.000 2.742 -0.000) 2.742 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 47.925 4.898 0.000) 48.174 2.721 ( 2.103 -2.435 0.000) 3.217 2.872 ( -0.145 -30.807 0.000) 30.807 3.090 ( -7.027 -5.867 0.000) 9.154 4.276 ( 5.305 4.397 -0.000) 6.891 4.396 ( -1.915 3.358 -0.000) 3.866 5.279 ( -2.826 21.968 -0.000) 22.149 5.629 ( -17.939 1.662 -0.000) 18.016 5.771 ( 6.435 6.767 -0.000) 9.338 6.021 ( -4.473 -5.097 0.000) 6.782 6.184 ( 1.020 5.485 -0.000) 5.579 6.326 ( -0.137 -9.779 0.000) 9.780 8.307 ( 1.406 7.420 -0.000) 7.552 8.343 ( 11.222 6.508 0.000) 12.973 8.475 ( -2.710 -3.772 0.000) 4.644 8.555 ( 2.348 -3.357 0.000) 4.097 8.605 ( 2.653 1.577 0.000) 3.087 8.747 ( -4.343 -5.223 0.000) 6.793 8.981 ( 3.476 -8.456 0.000) 9.143 9.104 ( -2.155 -15.461 0.000) 15.610 12.631 ( 7.428 -1.238 0.000) 7.531 12.837 ( 0.814 -15.273 0.000) 15.294 14.230 ( 11.056 13.135 -0.000) 17.168 14.669 ( -2.308 15.208 -0.000) 15.382 14.711 ( -6.975 -15.601 0.000) 17.089 14.860 ( -8.522 2.630 -0.000) 8.918 16.761 ( -0.850 8.617 -0.000) 8.659 16.894 ( -6.282 1.035 -0.000) 6.367 24.429 ( 2.128 0.612 0.000) 2.214 24.548 ( -2.415 -5.959 0.000) 6.429 25.371 ( -3.660 2.510 -0.000) 4.438 25.422 ( -1.596 -3.971 0.000) 4.279 25.926 ( 19.357 -4.178 0.000) 19.802 26.242 ( 4.568 -19.971 0.000) 20.487 28.419 ( -2.829 16.607 -0.000) 16.846 28.614 ( -9.874 4.037 -0.000) 10.667 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.000 6.149 11.474) 13.018 2.814 ( -0.000 -3.300 6.409) 7.208 2.884 ( -0.000 -33.262 10.977) 35.027 3.498 ( -0.000 0.234 24.144) 24.145 4.112 ( 0.000 3.002 -9.480) 9.944 4.407 ( -0.000 0.016 0.849) 0.849 5.238 ( 0.000 19.473 -7.999) 21.052 5.679 ( 0.000 6.237 -12.906) 14.334 5.711 ( 0.000 8.639 0.572) 8.658 6.023 ( -0.000 -3.485 2.414) 4.239 6.183 ( -0.000 -10.671 -9.122) 14.039 6.399 ( -0.000 3.771 11.024) 11.651 8.170 ( 0.000 5.016 -4.177) 6.527 8.322 ( 0.000 3.377 -2.518) 4.213 8.481 ( -0.000 1.127 5.918) 6.025 8.507 ( 0.000 2.571 -2.871) 3.854 8.687 ( -0.000 -5.147 8.503) 9.940 8.850 ( -0.000 -9.897 5.166) 11.164 9.092 ( -0.000 -8.068 13.706) 15.904 9.238 ( -0.000 -11.251 9.704) 14.857 12.595 ( -0.000 -1.093 3.584) 3.747 12.873 ( -0.000 -15.309 4.248) 15.888 13.911 ( 0.000 10.355 -17.961) 20.732 14.527 ( 0.000 -3.442 -21.109) 21.387 14.688 ( 0.000 7.358 -4.740) 8.753 14.896 ( 0.000 3.274 -4.960) 5.943 16.574 ( 0.000 1.053 -2.103) 2.351 17.463 ( -0.000 5.908 30.662) 31.226 24.429 ( -0.000 -0.811 2.178) 2.324 24.568 ( -0.000 -5.998 -0.384) 6.011 25.446 ( 0.000 3.142 -2.816) 4.219 25.447 ( -0.000 -2.994 1.114) 3.194 25.707 ( -0.000 -6.096 4.080) 7.335 26.105 ( -0.000 -15.819 -8.754) 18.080 27.969 ( 0.000 11.284 -27.467) 29.694 29.185 ( -0.000 7.429 26.816) 27.826 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 19.784 -19.784 6.289) 28.677 1.926 ( 21.323 -21.323 7.081) 30.975 2.926 ( -0.581 0.581 10.340) 10.373 3.497 ( -5.291 5.291 27.497) 28.497 4.251 ( 3.085 -3.085 -9.417) 10.379 4.279 ( 3.914 -3.914 -2.952) 6.273 5.471 ( -7.675 7.675 -16.525) 19.771 5.745 ( -9.808 9.808 1.247) 13.926 5.875 ( -2.390 2.390 -0.311) 3.395 5.933 ( -0.462 0.462 -2.340) 2.430 5.992 ( 0.870 -0.870 -4.018) 4.202 6.474 ( 2.388 -2.388 10.202) 10.746 8.250 ( 0.375 -0.375 -9.439) 9.454 8.343 ( -1.755 1.755 -8.442) 8.799 8.534 ( 1.740 -1.740 5.957) 6.445 8.583 ( 0.791 -0.791 5.541) 5.653 8.591 ( 4.320 -4.320 -4.790) 7.763 8.705 ( 0.974 -0.974 13.382) 13.453 9.018 ( 1.141 -1.141 15.342) 15.427 9.103 ( 3.659 -3.659 13.834) 14.769 12.620 ( 2.541 -2.541 2.354) 4.296 12.680 ( 5.478 -5.478 5.207) 9.334 14.071 ( 2.510 -2.510 -22.441) 22.720 14.396 ( -0.357 0.357 -15.629) 15.637 14.842 ( -5.999 5.999 -5.417) 10.066 14.893 ( -3.675 3.675 -3.426) 6.225 16.585 ( -0.163 0.163 -4.732) 4.738 17.520 ( -5.606 5.606 31.492) 32.475 24.432 ( 0.720 -0.720 0.475) 1.123 24.474 ( 2.120 -2.120 1.939) 3.570 25.407 ( -1.004 1.004 1.294) 1.921 25.441 ( -2.042 2.042 0.753) 2.984 25.821 ( 10.697 -10.697 -4.339) 15.738 25.833 ( 7.150 -7.149 -2.380) 10.387 28.086 ( -5.548 5.548 -28.895) 29.941 29.258 ( -5.954 5.954 26.986) 28.269 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -0.000 2.636 13.763) 14.013 2.103 ( -0.000 -37.895 9.640) 39.102 3.315 ( -0.000 0.221 26.312) 26.313 3.858 ( 0.000 2.557 -7.125) 7.570 3.882 ( 0.000 0.362 -15.445) 15.449 4.433 ( -0.000 -8.479 25.080) 26.474 5.113 ( 0.000 3.475 -22.997) 23.258 5.715 ( 0.000 11.864 -8.364) 14.516 5.836 ( 0.000 2.961 -9.183) 9.649 6.016 ( 0.000 2.567 5.874) 6.410 6.072 ( -0.000 -1.624 7.400) 7.576 6.571 ( -0.000 -1.036 3.851) 3.987 8.089 ( 0.000 1.974 -7.078) 7.348 8.185 ( 0.000 -0.248 -8.038) 8.042 8.314 ( -0.000 -7.627 -8.591) 11.488 8.731 ( -0.000 -1.508 10.377) 10.486 8.802 ( -0.000 -2.224 14.953) 15.118 9.013 ( -0.000 2.396 16.339) 16.514 9.327 ( -0.000 -0.559 15.968) 15.978 9.371 ( -0.000 -3.558 14.648) 15.074 12.676 ( -0.000 -0.589 6.071) 6.100 12.748 ( -0.000 -7.891 6.310) 10.104 13.593 ( 0.000 0.604 -20.250) 20.259 13.944 ( 0.000 -0.046 -28.539) 28.539 14.758 ( 0.000 6.479 -8.114) 10.384 14.807 ( 0.000 1.676 -8.861) 9.018 16.649 ( -0.000 -1.385 9.410) 9.511 18.154 ( -0.000 6.022 24.129) 24.869 24.475 ( -0.000 -0.486 3.754) 3.785 24.499 ( -0.000 -2.654 2.678) 3.771 25.414 ( 0.000 1.682 -5.284) 5.545 25.452 ( -0.000 -1.921 1.167) 2.248 25.593 ( -0.000 -6.697 -3.875) 7.737 25.763 ( -0.000 -4.902 0.635) 4.943 27.611 ( 0.000 4.272 -23.604) 23.988 29.798 ( -0.000 5.739 20.829) 21.606 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -0.000 0.000 6.725) 6.725 1.878 ( -0.000 0.000 6.725) 6.725 3.597 ( 0.000 -0.000 -11.698) 11.698 3.597 ( 0.000 -0.000 -11.698) 11.698 3.853 ( -0.000 0.000 25.453) 25.453 4.666 ( 0.000 -0.000 -22.972) 22.972 4.795 ( -0.000 0.000 10.850) 10.850 5.635 ( 0.000 -0.000 -11.474) 11.474 5.635 ( 0.000 -0.000 -11.474) 11.474 6.207 ( -0.000 0.000 6.491) 6.491 6.207 ( -0.000 0.000 6.491) 6.491 6.568 ( 0.000 -0.000 -1.786) 1.786 8.003 ( 0.000 -0.000 -7.375) 7.375 8.059 ( 0.000 -0.000 -4.365) 4.365 8.059 ( 0.000 -0.000 -4.365) 4.365 8.873 ( -0.000 0.000 7.152) 7.152 9.172 ( -0.000 0.000 23.698) 23.698 9.399 ( -0.000 0.000 17.840) 17.840 9.597 ( -0.000 0.000 10.687) 10.687 9.597 ( -0.000 0.000 10.687) 10.687 12.798 ( -0.000 0.000 6.270) 6.270 12.798 ( -0.000 0.000 6.270) 6.270 13.296 ( 0.000 -0.000 -8.317) 8.317 13.413 ( 0.000 -0.000 -24.165) 24.165 14.631 ( 0.000 -0.000 -9.758) 9.758 14.631 ( 0.000 -0.000 -9.758) 9.758 16.854 ( -0.000 0.000 11.541) 11.541 18.574 ( -0.000 0.000 10.817) 10.817 24.553 ( -0.000 0.000 4.329) 4.329 24.553 ( -0.000 0.000 4.329) 4.329 25.314 ( 0.000 -0.000 -6.073) 6.073 25.314 ( 0.000 -0.000 -6.073) 6.073 25.585 ( -0.000 0.000 4.783) 4.783 25.762 ( -0.000 0.000 2.292) 2.292 27.244 ( 0.000 -0.000 -16.401) 16.401 30.210 ( -0.000 0.000 14.215) 14.215 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.000 6.846 -0.000) 6.846 2.696 ( 0.000 6.319 -0.000) 6.319 2.878 ( -0.000 -38.749 0.000) 38.749 3.162 ( -0.000 -5.441 0.000) 5.441 4.211 ( 0.000 4.004 -0.000) 4.004 4.416 ( 0.000 4.040 -0.000) 4.040 5.312 ( 0.000 22.984 -0.000) 22.984 5.700 ( 0.000 6.468 -0.000) 6.468 5.832 ( 0.000 0.164 -0.000) 0.164 6.092 ( -0.000 -0.951 0.000) 0.951 6.177 ( 0.000 5.184 -0.000) 5.184 6.290 ( -0.000 -14.319 0.000) 14.319 8.214 ( 0.000 9.429 -0.000) 9.429 8.293 ( 0.000 7.614 -0.000) 7.614 8.503 ( -0.000 -3.760 0.000) 3.760 8.533 ( -0.000 -0.781 0.000) 0.781 8.575 ( 0.000 0.318 -0.000) 0.318 8.808 ( -0.000 -5.852 0.000) 5.852 8.936 ( -0.000 -9.706 0.000) 9.706 9.129 ( -0.000 -17.385 0.000) 17.385 12.558 ( -0.000 -1.091 0.000) 1.091 12.829 ( -0.000 -15.177 0.000) 15.177 14.113 ( 0.000 13.282 -0.000) 13.282 14.693 ( 0.000 14.918 -0.000) 14.918 14.782 ( -0.000 -16.415 0.000) 16.415 14.947 ( 0.000 3.360 -0.000) 3.360 16.770 ( 0.000 8.687 -0.000) 8.687 16.962 ( 0.000 0.730 -0.000) 0.730 24.407 ( -0.000 -0.755 0.000) 0.755 24.573 ( -0.000 -6.980 0.000) 6.980 25.438 ( -0.000 -3.923 0.000) 3.923 25.475 ( 0.000 3.309 -0.000) 3.309 25.662 ( -0.000 -4.237 0.000) 4.237 26.194 ( -0.000 -18.282 0.000) 18.282 28.447 ( 0.000 16.499 -0.000) 16.499 28.716 ( 0.000 3.483 -0.000) 3.483 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -2.636 -46.435 0.000) 46.509 1.836 ( 46.435 2.636 0.000) 46.509 2.998 ( -3.906 0.630 0.000) 3.956 2.998 ( -0.630 3.906 0.000) 3.956 4.343 ( -2.259 -5.759 0.000) 6.186 4.343 ( 5.759 2.259 0.000) 6.186 5.683 ( -14.985 4.940 -0.000) 15.778 5.683 ( -4.940 14.985 -0.000) 15.778 5.895 ( -6.362 -6.363 0.000) 8.998 5.895 ( 6.363 6.362 -0.000) 8.998 6.226 ( 1.885 -1.887 0.000) 2.667 6.226 ( 1.887 -1.885 0.000) 2.667 8.422 ( -2.693 0.076 -0.000) 2.695 8.422 ( -0.076 2.693 0.000) 2.695 8.457 ( -0.907 -2.524 0.000) 2.682 8.457 ( 2.524 0.907 0.000) 2.682 8.649 ( -0.785 -2.408 0.000) 2.532 8.649 ( 2.408 0.785 0.000) 2.532 8.871 ( 4.553 -5.976 0.000) 7.513 8.871 ( 5.976 -4.553 0.000) 7.513 12.612 ( 0.971 -6.917 0.000) 6.985 12.612 ( 6.917 -0.971 0.000) 6.985 14.430 ( -3.439 -7.549 0.000) 8.296 14.430 ( 7.549 3.439 0.000) 8.296 14.913 ( -8.309 2.271 -0.000) 8.614 14.913 ( -2.271 8.309 -0.000) 8.614 16.913 ( -3.589 3.089 0.000) 4.735 16.913 ( -3.089 3.589 0.000) 4.735 24.441 ( -0.189 -4.011 0.000) 4.016 24.441 ( 4.011 0.189 0.000) 4.016 25.412 ( -2.910 1.902 -0.000) 3.477 25.412 ( -1.902 2.910 -0.000) 3.477 25.863 ( 2.067 -17.263 0.000) 17.386 25.863 ( 17.263 -2.067 0.000) 17.386 28.682 ( -6.254 5.508 0.000) 8.334 28.682 ( -5.508 6.254 0.000) 8.334 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -0.000 3.248 10.624) 11.110 1.933 ( -0.000 -43.476 6.644) 43.981 2.927 ( -0.000 1.868 9.673) 9.851 3.563 ( -0.000 4.767 31.139) 31.502 4.155 ( 0.000 1.295 -10.874) 10.951 4.283 ( -0.000 -9.145 -6.267) 11.086 5.544 ( 0.000 9.810 -18.737) 21.150 5.848 ( 0.000 10.118 -3.510) 10.710 5.857 ( 0.000 5.146 4.661) 6.943 5.956 ( -0.000 -2.623 1.354) 2.951 6.040 ( -0.000 -3.891 -5.963) 7.120 6.426 ( -0.000 -1.305 10.796) 10.874 8.245 ( 0.000 3.231 -8.500) 9.094 8.363 ( 0.000 1.892 -9.057) 9.252 8.499 ( -0.000 -5.487 -9.821) 11.250 8.521 ( -0.000 1.512 8.840) 8.968 8.588 ( -0.000 -4.497 6.449) 7.862 8.716 ( -0.000 -0.799 12.965) 12.990 9.009 ( -0.000 -1.098 15.459) 15.498 9.070 ( -0.000 -5.889 15.069) 16.179 12.578 ( -0.000 -0.600 3.585) 3.635 12.644 ( -0.000 -7.404 3.825) 8.334 14.025 ( 0.000 0.988 -21.563) 21.586 14.413 ( 0.000 -3.085 -14.946) 15.261 14.886 ( 0.000 7.950 -4.578) 9.174 14.949 ( 0.000 1.875 -5.113) 5.446 16.586 ( 0.000 0.281 -6.211) 6.218 17.581 ( -0.000 4.989 32.426) 32.808 24.416 ( -0.000 -0.443 2.103) 2.149 24.459 ( -0.000 -4.384 1.338) 4.584 25.429 ( 0.000 1.731 0.471) 1.794 25.499 ( 0.000 1.997 -3.108) 3.694 25.618 ( -0.000 -3.182 1.040) 3.347 25.804 ( -0.000 -13.238 -3.415) 13.672 28.142 ( 0.000 5.796 -29.252) 29.820 29.320 ( -0.000 5.345 27.091) 27.613 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.000 0.000 13.418) 13.418 1.661 ( -0.000 0.000 13.418) 13.418 3.316 ( -0.000 0.000 26.096) 26.096 3.885 ( 0.000 -0.000 -15.810) 15.810 3.885 ( 0.000 -0.000 -15.810) 15.810 4.338 ( -0.000 0.000 32.625) 32.625 5.146 ( 0.000 -0.000 -25.081) 25.081 5.850 ( 0.000 -0.000 -9.802) 9.802 5.850 ( 0.000 -0.000 -9.802) 9.802 6.058 ( -0.000 0.000 8.131) 8.131 6.058 ( -0.000 0.000 8.131) 8.131 6.548 ( -0.000 0.000 4.227) 4.227 8.149 ( 0.000 -0.000 -7.436) 7.436 8.189 ( 0.000 -0.000 -8.570) 8.570 8.189 ( 0.000 -0.000 -8.570) 8.570 8.702 ( -0.000 0.000 9.521) 9.521 8.781 ( -0.000 0.000 15.998) 15.998 9.048 ( -0.000 0.000 17.131) 17.131 9.331 ( -0.000 0.000 15.580) 15.580 9.331 ( -0.000 0.000 15.580) 15.580 12.670 ( -0.000 0.000 6.086) 6.086 12.670 ( -0.000 0.000 6.086) 6.086 13.586 ( 0.000 -0.000 -19.656) 19.656 13.951 ( 0.000 -0.000 -28.089) 28.089 14.824 ( 0.000 -0.000 -9.023) 9.023 14.824 ( 0.000 -0.000 -9.023) 9.023 16.633 ( -0.000 0.000 9.197) 9.197 18.220 ( -0.000 0.000 24.510) 24.510 24.471 ( -0.000 0.000 3.747) 3.747 24.471 ( -0.000 0.000 3.747) 3.747 25.432 ( 0.000 -0.000 -5.493) 5.493 25.432 ( 0.000 -0.000 -5.493) 5.493 25.520 ( -0.000 0.000 1.543) 1.543 25.715 ( -0.000 0.000 2.639) 2.639 27.655 ( 0.000 -0.000 -24.701) 24.701 29.859 ( -0.000 0.000 21.228) 21.228 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 3.545 -0.000) 3.545 1.863 ( -0.000 -46.018 0.000) 46.018 2.966 ( 0.000 7.995 -0.000) 7.995 3.077 ( -0.000 -2.931 0.000) 2.931 4.269 ( 0.000 1.886 -0.000) 1.886 4.366 ( -0.000 -6.021 0.000) 6.021 5.746 ( 0.000 19.626 -0.000) 19.626 5.802 ( 0.000 3.421 -0.000) 3.421 5.835 ( 0.000 0.087 -0.000) 0.087 6.078 ( -0.000 -0.451 0.000) 0.451 6.107 ( -0.000 -4.722 0.000) 4.722 6.212 ( -0.000 -2.285 0.000) 2.285 8.386 ( 0.000 7.579 -0.000) 7.579 8.415 ( 0.000 3.981 -0.000) 3.981 8.458 ( -0.000 -0.923 0.000) 0.923 8.510 ( -0.000 -1.496 0.000) 1.496 8.590 ( 0.000 1.163 -0.000) 1.163 8.691 ( -0.000 -5.725 0.000) 5.725 8.792 ( -0.000 -4.794 0.000) 4.794 8.844 ( -0.000 -10.128 0.000) 10.128 12.541 ( -0.000 -0.602 0.000) 0.602 12.605 ( -0.000 -7.185 0.000) 7.185 14.315 ( 0.000 6.815 -0.000) 6.815 14.498 ( -0.000 -10.858 0.000) 10.858 14.933 ( 0.000 8.532 -0.000) 8.532 15.001 ( 0.000 1.925 -0.000) 1.925 16.921 ( 0.000 5.814 -0.000) 5.814 16.976 ( 0.000 0.591 -0.000) 0.591 24.395 ( -0.000 -0.414 0.000) 0.414 24.446 ( -0.000 -5.125 0.000) 5.125 25.427 ( 0.000 3.139 -0.000) 3.139 25.531 ( 0.000 2.112 -0.000) 2.112 25.601 ( -0.000 -1.880 0.000) 1.880 25.843 ( -0.000 -16.172 0.000) 16.172 28.708 ( 0.000 9.124 -0.000) 9.124 28.777 ( 0.000 2.334 -0.000) 2.334 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -0.000 0.000 10.369) 10.369 1.411 ( -0.000 0.000 10.369) 10.369 2.941 ( -0.000 0.000 8.672) 8.672 3.626 ( -0.000 0.000 35.961) 35.961 4.167 ( 0.000 -0.000 -11.381) 11.381 4.167 ( 0.000 -0.000 -11.381) 11.381 5.638 ( 0.000 -0.000 -24.018) 24.018 5.906 ( -0.000 0.000 6.411) 6.411 5.906 ( -0.000 0.000 6.411) 6.411 6.007 ( 0.000 -0.000 -5.655) 5.655 6.007 ( 0.000 -0.000 -5.655) 5.655 6.388 ( -0.000 0.000 12.022) 12.022 8.303 ( 0.000 -0.000 -8.329) 8.329 8.393 ( 0.000 -0.000 -11.881) 11.881 8.393 ( 0.000 -0.000 -11.881) 11.881 8.528 ( -0.000 0.000 7.109) 7.109 8.537 ( -0.000 0.000 8.511) 8.511 8.735 ( -0.000 0.000 14.233) 14.233 9.006 ( -0.000 0.000 16.585) 16.585 9.006 ( -0.000 0.000 16.585) 16.585 12.572 ( -0.000 0.000 3.587) 3.587 12.572 ( -0.000 0.000 3.587) 3.587 14.016 ( 0.000 -0.000 -22.141) 22.141 14.395 ( 0.000 -0.000 -12.764) 12.764 14.968 ( 0.000 -0.000 -5.169) 5.169 14.968 ( 0.000 -0.000 -5.169) 5.169 16.589 ( 0.000 -0.000 -7.792) 7.792 17.635 ( -0.000 0.000 33.250) 33.250 24.412 ( -0.000 0.000 2.077) 2.077 24.412 ( -0.000 0.000 2.077) 2.077 25.520 ( 0.000 -0.000 -3.227) 3.227 25.520 ( 0.000 -0.000 -3.227) 3.227 25.525 ( 0.000 -0.000 -1.913) 1.913 25.655 ( -0.000 0.000 3.438) 3.438 28.200 ( 0.000 -0.000 -29.620) 29.620 29.377 ( -0.000 0.000 27.161) 27.161 ======================= 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 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.000 0.000 -0.000) 0.000 1.300 ( 0.000 0.000 -0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 -0.000) 0.000 4.288 ( 0.000 0.000 -0.000) 0.000 5.836 ( 0.000 0.000 -0.000) 0.000 5.836 ( 0.000 0.000 -0.000) 0.000 6.065 ( -0.000 -0.000 0.000) 0.000 6.065 ( 0.000 0.000 -0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 8.489 ( 0.000 0.000 0.000) 0.000 8.489 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 -0.000) 0.000 8.607 ( 0.000 0.000 -0.000) 0.000 8.743 ( 0.000 0.000 -0.000) 0.000 8.743 ( 0.000 0.000 -0.000) 0.000 12.535 ( 0.000 0.000 -0.000) 0.000 12.535 ( 0.000 0.000 -0.000) 0.000 14.384 ( 0.000 0.000 0.000) 0.000 14.384 ( 0.000 0.000 0.000) 0.000 15.020 ( 0.000 0.000 -0.000) 0.000 15.020 ( 0.000 0.000 -0.000) 0.000 16.982 ( 0.000 0.000 0.000) 0.000 16.982 ( 0.000 0.000 0.000) 0.000 24.391 ( 0.000 0.000 -0.000) 0.000 24.391 ( 0.000 0.000 -0.000) 0.000 25.553 ( 0.000 0.000 -0.000) 0.000 25.553 ( 0.000 0.000 -0.000) 0.000 25.583 ( 0.000 0.000 0.000) 0.000 25.583 ( 0.000 0.000 0.000) 0.000 28.801 ( 0.000 0.000 0.000) 0.000 28.801 ( 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 8393.570 8393.570 12573.882 -0.000 -0.000 0.000 3/28224 20.0 2806.948 2806.948 2903.111 -0.000 -0.000 0.000 3/28224 30.0 1096.972 1096.972 1003.039 -0.000 -0.000 0.000 3/28224 40.0 551.042 551.042 487.526 -0.000 -0.000 0.000 3/28224 50.0 322.587 322.587 289.541 -0.000 -0.000 0.000 3/28224 60.0 211.157 211.157 193.357 -0.000 -0.000 0.000 3/28224 70.0 150.443 150.443 139.896 -0.000 -0.000 0.000 3/28224 80.0 114.226 114.226 107.352 -0.000 -0.000 0.000 3/28224 90.0 90.967 90.967 86.112 -0.000 -0.000 0.000 3/28224 100.0 75.111 75.111 71.461 -0.000 -0.000 0.000 3/28224 110.0 63.769 63.769 60.890 -0.000 -0.000 0.000 3/28224 120.0 55.328 55.328 52.976 -0.000 -0.000 0.000 3/28224 130.0 48.838 48.838 46.867 -0.000 -0.000 0.000 3/28224 140.0 43.713 43.713 42.029 -0.000 -0.000 0.000 3/28224 150.0 39.571 39.571 38.114 -0.000 -0.000 0.000 3/28224 160.0 36.160 36.160 34.887 -0.000 -0.000 0.000 3/28224 170.0 33.303 33.303 32.183 -0.000 -0.000 0.000 3/28224 180.0 30.877 30.877 29.887 -0.000 -0.000 0.000 3/28224 190.0 28.792 28.792 27.913 -0.000 -0.000 0.000 3/28224 200.0 26.980 26.980 26.199 -0.000 -0.000 0.000 3/28224 210.0 25.390 25.390 24.695 -0.000 -0.000 0.000 3/28224 220.0 23.985 23.985 23.366 -0.000 -0.000 0.000 3/28224 230.0 22.733 22.733 22.182 -0.000 -0.000 0.000 3/28224 240.0 21.611 21.611 21.120 -0.000 -0.000 0.000 3/28224 250.0 20.599 20.599 20.162 -0.000 -0.000 0.000 3/28224 260.0 19.681 19.681 19.294 -0.000 -0.000 0.000 3/28224 270.0 18.846 18.846 18.502 -0.000 -0.000 0.000 3/28224 280.0 18.081 18.081 17.777 -0.000 -0.000 0.000 3/28224 290.0 17.378 17.378 17.111 -0.000 -0.000 0.000 3/28224 300.0 16.731 16.731 16.496 -0.000 -0.000 0.000 3/28224 310.0 16.132 16.132 15.927 -0.000 -0.000 0.000 3/28224 320.0 15.576 15.576 15.398 -0.000 -0.000 0.000 3/28224 330.0 15.058 15.058 14.905 -0.000 -0.000 0.000 3/28224 340.0 14.575 14.575 14.445 -0.000 -0.000 0.000 3/28224 350.0 14.124 14.124 14.014 -0.000 -0.000 0.000 3/28224 360.0 13.701 13.701 13.609 -0.000 -0.000 0.000 3/28224 370.0 13.303 13.303 13.228 -0.000 -0.000 0.000 3/28224 380.0 12.928 12.928 12.869 -0.000 -0.000 0.000 3/28224 390.0 12.575 12.575 12.530 -0.000 -0.000 0.000 3/28224 400.0 12.241 12.241 12.209 -0.000 -0.000 0.000 3/28224 410.0 11.925 11.925 11.905 -0.000 -0.000 0.000 3/28224 420.0 11.626 11.626 11.617 -0.000 -0.000 0.000 3/28224 430.0 11.342 11.342 11.342 -0.000 -0.000 0.000 3/28224 440.0 11.071 11.071 11.081 -0.000 -0.000 0.000 3/28224 450.0 10.814 10.814 10.832 -0.000 -0.000 0.000 3/28224 460.0 10.568 10.568 10.594 -0.000 -0.000 0.000 3/28224 470.0 10.334 10.334 10.367 -0.000 -0.000 0.000 3/28224 480.0 10.111 10.111 10.149 -0.000 -0.000 0.000 3/28224 490.0 9.897 9.897 9.941 -0.000 -0.000 0.000 3/28224 500.0 9.692 9.692 9.742 -0.000 -0.000 0.000 3/28224 510.0 9.495 9.495 9.550 -0.000 -0.000 0.000 3/28224 520.0 9.307 9.307 9.366 -0.000 -0.000 0.000 3/28224 530.0 9.126 9.126 9.189 -0.000 -0.000 0.000 3/28224 540.0 8.952 8.952 9.019 -0.000 -0.000 0.000 3/28224 550.0 8.785 8.785 8.855 -0.000 -0.000 0.000 3/28224 560.0 8.624 8.624 8.697 -0.000 -0.000 0.000 3/28224 570.0 8.469 8.469 8.545 -0.000 -0.000 0.000 3/28224 580.0 8.319 8.319 8.398 -0.000 -0.000 0.000 3/28224 590.0 8.175 8.175 8.256 -0.000 -0.000 0.000 3/28224 600.0 8.036 8.036 8.119 -0.000 -0.000 0.000 3/28224 610.0 7.901 7.901 7.987 -0.000 -0.000 0.000 3/28224 620.0 7.771 7.771 7.859 -0.000 -0.000 0.000 3/28224 630.0 7.646 7.646 7.734 -0.000 -0.000 0.000 3/28224 640.0 7.524 7.524 7.614 -0.000 -0.000 0.000 3/28224 650.0 7.406 7.406 7.498 -0.000 -0.000 0.000 3/28224 660.0 7.292 7.292 7.385 -0.000 -0.000 0.000 3/28224 670.0 7.182 7.182 7.275 -0.000 -0.000 0.000 3/28224 680.0 7.074 7.074 7.169 -0.000 -0.000 0.000 3/28224 690.0 6.970 6.970 7.066 -0.000 -0.000 0.000 3/28224 700.0 6.869 6.869 6.965 -0.000 -0.000 0.000 3/28224 710.0 6.771 6.771 6.868 -0.000 -0.000 0.000 3/28224 720.0 6.676 6.676 6.773 -0.000 -0.000 0.000 3/28224 730.0 6.584 6.584 6.681 -0.000 -0.000 0.000 3/28224 740.0 6.493 6.493 6.592 -0.000 -0.000 0.000 3/28224 750.0 6.406 6.406 6.504 -0.000 -0.000 0.000 3/28224 760.0 6.321 6.321 6.419 -0.000 -0.000 0.000 3/28224 770.0 6.238 6.238 6.337 -0.000 -0.000 0.000 3/28224 780.0 6.157 6.157 6.256 -0.000 -0.000 0.000 3/28224 790.0 6.078 6.078 6.177 -0.000 -0.000 0.000 3/28224 800.0 6.002 6.002 6.101 -0.000 -0.000 0.000 3/28224 810.0 5.927 5.927 6.026 -0.000 -0.000 0.000 3/28224 820.0 5.854 5.854 5.953 -0.000 -0.000 0.000 3/28224 830.0 5.783 5.783 5.882 -0.000 -0.000 0.000 3/28224 840.0 5.713 5.713 5.812 -0.000 -0.000 0.000 3/28224 850.0 5.646 5.646 5.744 -0.000 -0.000 0.000 3/28224 860.0 5.579 5.579 5.678 -0.000 -0.000 0.000 3/28224 870.0 5.515 5.515 5.613 -0.000 -0.000 0.000 3/28224 880.0 5.452 5.452 5.550 -0.000 -0.000 0.000 3/28224 890.0 5.390 5.390 5.488 -0.000 -0.000 0.000 3/28224 900.0 5.330 5.330 5.428 -0.000 -0.000 0.000 3/28224 910.0 5.271 5.271 5.368 -0.000 -0.000 0.000 3/28224 920.0 5.213 5.213 5.311 -0.000 -0.000 0.000 3/28224 930.0 5.157 5.157 5.254 -0.000 -0.000 0.000 3/28224 940.0 5.102 5.102 5.198 -0.000 -0.000 0.000 3/28224 950.0 5.048 5.048 5.144 -0.000 -0.000 0.000 3/28224 960.0 4.995 4.995 5.091 -0.000 -0.000 0.000 3/28224 970.0 4.943 4.943 5.039 -0.000 -0.000 0.000 3/28224 980.0 4.892 4.892 4.988 -0.000 -0.000 0.000 3/28224 990.0 4.843 4.843 4.938 -0.000 -0.000 0.000 3/28224 1000.0 4.794 4.794 4.889 -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 21:03:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|