----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:41:33]------------------------- 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 -3.631211290000000 3.631211290000000 3.215562020000000 b 3.631211290000000 -3.631211290000000 3.215562020000000 c 3.631211290000000 3.631211290000000 -3.215562020000000 Atomic positions (fractional): *1 Nd 0.75000000000000 0.25000000000000 0.50000000000000 144.242 2 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 *3 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 4 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 *5 O 0.66958163814992 0.49067991601035 0.82109827786043 15.999 6 O 0.15151663971051 0.33041836185008 0.82109827786043 15.999 7 O 0.50932008398965 0.33041836185008 0.17890172213957 15.999 8 O 0.66958163814992 0.84848336028949 0.17890172213957 15.999 9 O 0.08041836185008 0.40151663971051 0.32109827786043 15.999 10 O 0.59848336028949 0.91958163814992 0.67890172213957 15.999 11 O 0.24067991601035 0.91958163814992 0.32109827786043 15.999 12 O 0.08041836185008 0.75932008398965 0.67890172213957 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.262422580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.262422580000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.431124040000000 Atomic positions (fractional): *1 Nd 0.50000000000000 0.00000000000000 0.75000000000000 144.242 > 1 2 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 2 3 Nd 0.00000000000000 0.50000000000000 0.25000000000000 144.242 > 1 4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 > 2 *5 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 3 6 As 0.00000000000000 0.50000000000000 0.75000000000000 74.922 > 4 7 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 3 8 As 0.50000000000000 0.00000000000000 0.25000000000000 74.922 > 4 *9 O 0.32109827786043 0.50000000000000 0.16958163814992 15.999 > 5 10 O 0.50000000000000 0.32109827786043 0.83041836185008 15.999 > 6 11 O 0.00000000000000 0.17890172213957 0.33041836185008 15.999 > 7 12 O 0.17890172213957 0.00000000000000 0.66958163814992 15.999 > 8 13 O 0.82109827786043 0.50000000000000 0.58041836185008 15.999 > 9 14 O 0.00000000000000 0.67890172213957 0.91958163814992 15.999 > 10 15 O 0.00000000000000 0.32109827786043 0.91958163814992 15.999 > 11 16 O 0.17890172213957 0.50000000000000 0.58041836185008 15.999 > 12 17 O 0.82109827786043 0.00000000000000 0.66958163814992 15.999 > 5 18 O 0.00000000000000 0.82109827786043 0.33041836185008 15.999 > 6 19 O 0.50000000000000 0.67890172213957 0.83041836185008 15.999 > 7 20 O 0.67890172213957 0.50000000000000 0.16958163814992 15.999 > 8 21 O 0.32109827786043 0.00000000000000 0.08041836185008 15.999 > 9 22 O 0.50000000000000 0.17890172213957 0.41958163814992 15.999 > 10 23 O 0.50000000000000 0.82109827786043 0.41958163814992 15.999 > 11 24 O 0.67890172213957 0.00000000000000 0.08041836185008 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.262422580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.262422580000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.862248080000001 Atomic positions (fractional): *1 Nd 0.50000000000000 0.00000000000000 0.37500000000000 144.242 > 1 2 Nd 0.50000000000000 0.00000000000000 0.87500000000000 144.242 > 1 3 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 2 4 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 2 5 Nd 0.00000000000000 0.50000000000000 0.12500000000000 144.242 > 1 6 Nd 0.00000000000000 0.50000000000000 0.62500000000000 144.242 > 1 7 Nd 0.50000000000000 0.50000000000000 0.25000000000000 144.242 > 2 8 Nd 0.50000000000000 0.50000000000000 0.75000000000000 144.242 > 2 *9 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 3 10 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 3 11 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 4 12 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 4 13 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 3 14 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 3 15 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 4 16 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 4 *17 O 0.32109827786043 0.50000000000000 0.08479081907496 15.999 > 5 18 O 0.32109827786043 0.50000000000000 0.58479081907496 15.999 > 5 19 O 0.50000000000000 0.32109827786043 0.41520918092504 15.999 > 6 20 O 0.50000000000000 0.32109827786043 0.91520918092504 15.999 > 6 21 O 0.00000000000000 0.17890172213957 0.16520918092504 15.999 > 7 22 O 0.00000000000000 0.17890172213957 0.66520918092504 15.999 > 7 23 O 0.17890172213957 0.00000000000000 0.33479081907496 15.999 > 8 24 O 0.17890172213957 0.00000000000000 0.83479081907496 15.999 > 8 25 O 0.82109827786043 0.50000000000000 0.29020918092504 15.999 > 9 26 O 0.82109827786043 0.50000000000000 0.79020918092504 15.999 > 9 27 O 0.00000000000000 0.67890172213957 0.45979081907496 15.999 > 10 28 O 0.00000000000000 0.67890172213957 0.95979081907496 15.999 > 10 29 O 0.00000000000000 0.32109827786043 0.45979081907496 15.999 > 11 30 O 0.00000000000000 0.32109827786043 0.95979081907496 15.999 > 11 31 O 0.17890172213957 0.50000000000000 0.29020918092504 15.999 > 12 32 O 0.17890172213957 0.50000000000000 0.79020918092504 15.999 > 12 33 O 0.82109827786043 0.00000000000000 0.33479081907496 15.999 > 5 34 O 0.82109827786043 0.00000000000000 0.83479081907496 15.999 > 5 35 O 0.00000000000000 0.82109827786043 0.16520918092504 15.999 > 6 36 O 0.00000000000000 0.82109827786043 0.66520918092504 15.999 > 6 37 O 0.50000000000000 0.67890172213957 0.41520918092504 15.999 > 7 38 O 0.50000000000000 0.67890172213957 0.91520918092504 15.999 > 7 39 O 0.67890172213957 0.50000000000000 0.08479081907496 15.999 > 8 40 O 0.67890172213957 0.50000000000000 0.58479081907496 15.999 > 8 41 O 0.32109827786043 0.00000000000000 0.04020918092504 15.999 > 9 42 O 0.32109827786043 0.00000000000000 0.54020918092504 15.999 > 9 43 O 0.50000000000000 0.17890172213957 0.20979081907496 15.999 > 10 44 O 0.50000000000000 0.17890172213957 0.70979081907496 15.999 > 10 45 O 0.50000000000000 0.82109827786043 0.20979081907496 15.999 > 11 46 O 0.50000000000000 0.82109827786043 0.70979081907496 15.999 > 11 47 O 0.67890172213957 0.00000000000000 0.04020918092504 15.999 > 12 48 O 0.67890172213957 0.00000000000000 0.54020918092504 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4320852 0.0000000 0.0000000 0.0000000 3.4320852 0.0000000 0.0000000 0.0000000 3.8636132 -------------------------- Born effective charges -------------------------- 1 Nd 4.1504929 0.0000000 0.0000000 0.0000000 4.1504929 0.0000000 0.0000000 0.0000000 4.4888022 2 Nd 4.1504929 0.0000000 0.0000000 0.0000000 4.1504929 0.0000000 0.0000000 0.0000000 4.4888022 3 As 3.2642206 0.0000000 0.0000000 0.0000000 3.2642206 0.0000000 0.0000000 0.0000000 4.2722693 4 As 3.2642206 0.0000000 0.0000000 0.0000000 3.2642206 0.0000000 0.0000000 0.0000000 4.2722693 5 O -2.6470714 0.0000000 0.5334178 0.0000000 -1.0602854 0.0000000 0.4583670 0.0000000 -2.1902679 6 O -1.0602854 0.0000000 0.0000000 0.0000000 -2.6470714 -0.5334178 0.0000000 -0.4583670 -2.1902679 7 O -1.0602854 0.0000000 0.0000000 0.0000000 -2.6470714 0.5334178 0.0000000 0.4583670 -2.1902679 8 O -2.6470714 0.0000000 -0.5334178 0.0000000 -1.0602854 0.0000000 -0.4583670 0.0000000 -2.1902679 9 O -2.6470714 0.0000000 -0.5334178 0.0000000 -1.0602854 0.0000000 -0.4583670 0.0000000 -2.1902679 10 O -1.0602854 0.0000000 0.0000000 0.0000000 -2.6470714 -0.5334178 0.0000000 -0.4583670 -2.1902679 11 O -1.0602854 0.0000000 0.0000000 0.0000000 -2.6470714 0.5334178 0.0000000 0.4583670 -2.1902679 12 O -2.6470714 0.0000000 0.5334178 0.0000000 -1.0602854 0.0000000 0.4583670 0.0000000 -2.1902679 ---------------------------------------------------------------------------- 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: 0.068 Solver_block: 160 / 160 - Time: 0.035 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.105 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:41:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:41:37]------------------------- 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 -3.631211290000000 3.631211290000000 3.215562020000000 b 3.631211290000000 -3.631211290000000 3.215562020000000 c 3.631211290000000 3.631211290000000 -3.215562020000000 Atomic positions (fractional): 1 Nd 0.75000000000000 0.25000000000000 0.50000000000000 144.242 2 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 3 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 4 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 5 O 0.66958163814992 0.49067991601035 0.82109827786043 15.999 6 O 0.15151663971051 0.33041836185008 0.82109827786043 15.999 7 O 0.50932008398965 0.33041836185008 0.17890172213957 15.999 8 O 0.66958163814992 0.84848336028949 0.17890172213957 15.999 9 O 0.08041836185008 0.40151663971051 0.32109827786043 15.999 10 O 0.59848336028949 0.91958163814992 0.67890172213957 15.999 11 O 0.24067991601035 0.91958163814992 0.32109827786043 15.999 12 O 0.08041836185008 0.75932008398965 0.67890172213957 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.262422580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.262422580000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.862248080000001 Atomic positions (fractional): 1 Nd 0.50000000000000 0.00000000000000 0.37500000000000 144.242 > 1 2 Nd 0.50000000000000 0.00000000000000 0.87500000000000 144.242 > 1 3 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 3 4 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 3 5 Nd 0.00000000000000 0.50000000000000 0.12500000000000 144.242 > 1 6 Nd 0.00000000000000 0.50000000000000 0.62500000000000 144.242 > 1 7 Nd 0.50000000000000 0.50000000000000 0.25000000000000 144.242 > 3 8 Nd 0.50000000000000 0.50000000000000 0.75000000000000 144.242 > 3 9 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 9 10 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 9 11 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 11 12 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 11 13 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 9 14 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 9 15 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 11 16 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 11 17 O 0.32109827786043 0.50000000000000 0.08479081907496 15.999 > 17 18 O 0.32109827786043 0.50000000000000 0.58479081907496 15.999 > 17 19 O 0.50000000000000 0.32109827786043 0.41520918092504 15.999 > 19 20 O 0.50000000000000 0.32109827786043 0.91520918092504 15.999 > 19 21 O 0.00000000000000 0.17890172213957 0.16520918092504 15.999 > 21 22 O 0.00000000000000 0.17890172213957 0.66520918092504 15.999 > 21 23 O 0.17890172213957 0.00000000000000 0.33479081907496 15.999 > 23 24 O 0.17890172213957 0.00000000000000 0.83479081907496 15.999 > 23 25 O 0.82109827786043 0.50000000000000 0.29020918092504 15.999 > 25 26 O 0.82109827786043 0.50000000000000 0.79020918092504 15.999 > 25 27 O 0.00000000000000 0.67890172213957 0.45979081907496 15.999 > 27 28 O 0.00000000000000 0.67890172213957 0.95979081907496 15.999 > 27 29 O 0.00000000000000 0.32109827786043 0.45979081907496 15.999 > 29 30 O 0.00000000000000 0.32109827786043 0.95979081907496 15.999 > 29 31 O 0.17890172213957 0.50000000000000 0.29020918092504 15.999 > 31 32 O 0.17890172213957 0.50000000000000 0.79020918092504 15.999 > 31 33 O 0.82109827786043 0.00000000000000 0.33479081907496 15.999 > 17 34 O 0.82109827786043 0.00000000000000 0.83479081907496 15.999 > 17 35 O 0.00000000000000 0.82109827786043 0.16520918092504 15.999 > 19 36 O 0.00000000000000 0.82109827786043 0.66520918092504 15.999 > 19 37 O 0.50000000000000 0.67890172213957 0.41520918092504 15.999 > 21 38 O 0.50000000000000 0.67890172213957 0.91520918092504 15.999 > 21 39 O 0.67890172213957 0.50000000000000 0.08479081907496 15.999 > 23 40 O 0.67890172213957 0.50000000000000 0.58479081907496 15.999 > 23 41 O 0.32109827786043 0.00000000000000 0.04020918092504 15.999 > 25 42 O 0.32109827786043 0.00000000000000 0.54020918092504 15.999 > 25 43 O 0.50000000000000 0.17890172213957 0.20979081907496 15.999 > 27 44 O 0.50000000000000 0.17890172213957 0.70979081907496 15.999 > 27 45 O 0.50000000000000 0.82109827786043 0.20979081907496 15.999 > 29 46 O 0.50000000000000 0.82109827786043 0.70979081907496 15.999 > 29 47 O 0.67890172213957 0.00000000000000 0.04020918092504 15.999 > 31 48 O 0.67890172213957 0.00000000000000 0.54020918092504 15.999 > 31 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4320852 0.0000000 0.0000000 0.0000000 3.4320852 0.0000000 0.0000000 0.0000000 3.8636132 -------------------------- Born effective charges -------------------------- 1 Nd 4.1504929 0.0000000 0.0000000 0.0000000 4.1504929 0.0000000 0.0000000 0.0000000 4.4888022 2 Nd 4.1504929 0.0000000 0.0000000 0.0000000 4.1504929 0.0000000 0.0000000 0.0000000 4.4888022 3 As 3.2642206 0.0000000 0.0000000 0.0000000 3.2642206 0.0000000 0.0000000 0.0000000 4.2722693 4 As 3.2642206 0.0000000 0.0000000 0.0000000 3.2642206 0.0000000 0.0000000 0.0000000 4.2722693 5 O -2.6470714 0.0000000 0.5334178 0.0000000 -1.0602854 0.0000000 0.4583670 0.0000000 -2.1902679 6 O -1.0602854 0.0000000 0.0000000 0.0000000 -2.6470714 -0.5334178 0.0000000 -0.4583670 -2.1902679 7 O -1.0602854 0.0000000 0.0000000 0.0000000 -2.6470714 0.5334178 0.0000000 0.4583670 -2.1902679 8 O -2.6470714 0.0000000 -0.5334178 0.0000000 -1.0602854 0.0000000 -0.4583670 0.0000000 -2.1902679 9 O -2.6470714 0.0000000 -0.5334178 0.0000000 -1.0602854 0.0000000 -0.4583670 0.0000000 -2.1902679 10 O -1.0602854 0.0000000 0.0000000 0.0000000 -2.6470714 -0.5334178 0.0000000 -0.4583670 -2.1902679 11 O -1.0602854 0.0000000 0.0000000 0.0000000 -2.6470714 0.5334178 0.0000000 0.4583670 -2.1902679 12 O -2.6470714 0.0000000 0.5334178 0.0000000 -1.0602854 0.0000000 0.4583670 0.0000000 -2.1902679 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000009 (xxx) 0.00000009 (xxx) 0.00000009 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:41:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:41:40]------------------------- 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 -3.631211290000000 3.631211290000000 3.215562020000000 b 3.631211290000000 -3.631211290000000 3.215562020000000 c 3.631211290000000 3.631211290000000 -3.215562020000000 Atomic positions (fractional): 1 Nd 0.75000000000000 0.25000000000000 0.50000000000000 144.242 2 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 3 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 4 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 5 O 0.66958163814992 0.49067991601035 0.82109827786043 15.999 6 O 0.15151663971051 0.33041836185008 0.82109827786043 15.999 7 O 0.50932008398965 0.33041836185008 0.17890172213957 15.999 8 O 0.66958163814992 0.84848336028949 0.17890172213957 15.999 9 O 0.08041836185008 0.40151663971051 0.32109827786043 15.999 10 O 0.59848336028949 0.91958163814992 0.67890172213957 15.999 11 O 0.24067991601035 0.91958163814992 0.32109827786043 15.999 12 O 0.08041836185008 0.75932008398965 0.67890172213957 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.262422580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.262422580000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.862248080000001 Atomic positions (fractional): 1 Nd 0.50000000000000 0.00000000000000 0.37500000000000 144.242 > 1 2 Nd 0.50000000000000 0.00000000000000 0.87500000000000 144.242 > 1 3 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 3 4 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 3 5 Nd 0.00000000000000 0.50000000000000 0.12500000000000 144.242 > 1 6 Nd 0.00000000000000 0.50000000000000 0.62500000000000 144.242 > 1 7 Nd 0.50000000000000 0.50000000000000 0.25000000000000 144.242 > 3 8 Nd 0.50000000000000 0.50000000000000 0.75000000000000 144.242 > 3 9 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 9 10 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 9 11 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 11 12 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 11 13 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 9 14 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 9 15 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 11 16 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 11 17 O 0.32109827786043 0.50000000000000 0.08479081907496 15.999 > 17 18 O 0.32109827786043 0.50000000000000 0.58479081907496 15.999 > 17 19 O 0.50000000000000 0.32109827786043 0.41520918092504 15.999 > 19 20 O 0.50000000000000 0.32109827786043 0.91520918092504 15.999 > 19 21 O 0.00000000000000 0.17890172213957 0.16520918092504 15.999 > 21 22 O 0.00000000000000 0.17890172213957 0.66520918092504 15.999 > 21 23 O 0.17890172213957 0.00000000000000 0.33479081907496 15.999 > 23 24 O 0.17890172213957 0.00000000000000 0.83479081907496 15.999 > 23 25 O 0.82109827786043 0.50000000000000 0.29020918092504 15.999 > 25 26 O 0.82109827786043 0.50000000000000 0.79020918092504 15.999 > 25 27 O 0.00000000000000 0.67890172213957 0.45979081907496 15.999 > 27 28 O 0.00000000000000 0.67890172213957 0.95979081907496 15.999 > 27 29 O 0.00000000000000 0.32109827786043 0.45979081907496 15.999 > 29 30 O 0.00000000000000 0.32109827786043 0.95979081907496 15.999 > 29 31 O 0.17890172213957 0.50000000000000 0.29020918092504 15.999 > 31 32 O 0.17890172213957 0.50000000000000 0.79020918092504 15.999 > 31 33 O 0.82109827786043 0.00000000000000 0.33479081907496 15.999 > 17 34 O 0.82109827786043 0.00000000000000 0.83479081907496 15.999 > 17 35 O 0.00000000000000 0.82109827786043 0.16520918092504 15.999 > 19 36 O 0.00000000000000 0.82109827786043 0.66520918092504 15.999 > 19 37 O 0.50000000000000 0.67890172213957 0.41520918092504 15.999 > 21 38 O 0.50000000000000 0.67890172213957 0.91520918092504 15.999 > 21 39 O 0.67890172213957 0.50000000000000 0.08479081907496 15.999 > 23 40 O 0.67890172213957 0.50000000000000 0.58479081907496 15.999 > 23 41 O 0.32109827786043 0.00000000000000 0.04020918092504 15.999 > 25 42 O 0.32109827786043 0.00000000000000 0.54020918092504 15.999 > 25 43 O 0.50000000000000 0.17890172213957 0.20979081907496 15.999 > 27 44 O 0.50000000000000 0.17890172213957 0.70979081907496 15.999 > 27 45 O 0.50000000000000 0.82109827786043 0.20979081907496 15.999 > 29 46 O 0.50000000000000 0.82109827786043 0.70979081907496 15.999 > 29 47 O 0.67890172213957 0.00000000000000 0.04020918092504 15.999 > 31 48 O 0.67890172213957 0.00000000000000 0.54020918092504 15.999 > 31 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4320852 0.0000000 0.0000000 0.0000000 3.4320852 0.0000000 0.0000000 0.0000000 3.8636132 -------------------------- Born effective charges -------------------------- 1 Nd 4.1504929 0.0000000 0.0000000 0.0000000 4.1504929 0.0000000 0.0000000 0.0000000 4.4888022 2 Nd 4.1504929 0.0000000 0.0000000 0.0000000 4.1504929 0.0000000 0.0000000 0.0000000 4.4888022 3 As 3.2642206 0.0000000 0.0000000 0.0000000 3.2642206 0.0000000 0.0000000 0.0000000 4.2722693 4 As 3.2642206 0.0000000 0.0000000 0.0000000 3.2642206 0.0000000 0.0000000 0.0000000 4.2722693 5 O -2.6470714 0.0000000 0.5334178 0.0000000 -1.0602854 0.0000000 0.4583670 0.0000000 -2.1902679 6 O -1.0602854 0.0000000 0.0000000 0.0000000 -2.6470714 -0.5334178 0.0000000 -0.4583670 -2.1902679 7 O -1.0602854 0.0000000 0.0000000 0.0000000 -2.6470714 0.5334178 0.0000000 0.4583670 -2.1902679 8 O -2.6470714 0.0000000 -0.5334178 0.0000000 -1.0602854 0.0000000 -0.4583670 0.0000000 -2.1902679 9 O -2.6470714 0.0000000 -0.5334178 0.0000000 -1.0602854 0.0000000 -0.4583670 0.0000000 -2.1902679 10 O -1.0602854 0.0000000 0.0000000 0.0000000 -2.6470714 -0.5334178 0.0000000 -0.4583670 -2.1902679 11 O -1.0602854 0.0000000 0.0000000 0.0000000 -2.6470714 0.5334178 0.0000000 0.4583670 -2.1902679 12 O -2.6470714 0.0000000 0.5334178 0.0000000 -1.0602854 0.0000000 0.4583670 0.0000000 -2.1902679 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (xxx) 0.00000009 (xxx) 0.00000009 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] 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: 0.75, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/102) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.536 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 -0.000 -0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 -0.000) 0.000 4.771 ( 0.000 -0.000 -0.000) 0.000 4.771 ( -0.000 0.000 -0.000) 0.000 5.165 ( 0.000 0.000 -0.000) 0.000 5.165 ( -0.000 0.000 -0.000) 0.000 5.221 ( -0.000 -0.000 -0.000) 0.000 6.543 ( -0.000 0.000 -0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.036 ( -0.000 0.000 -0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 8.359 ( 0.000 0.000 0.000) 0.000 8.359 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 -0.000 -0.000) 0.000 9.807 ( 0.000 0.000 -0.000) 0.000 9.807 ( 0.000 0.000 -0.000) 0.000 11.518 ( 0.000 -0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 -0.000) 0.000 12.555 ( 0.000 -0.000 0.000) 0.000 13.780 ( -0.000 -0.000 0.000) 0.000 13.819 ( 0.000 -0.000 0.000) 0.000 22.150 ( 0.000 0.000 0.000) 0.000 22.150 ( 0.000 0.000 -0.000) 0.000 22.761 ( 0.000 0.000 0.000) 0.000 22.761 ( -0.000 0.000 0.000) 0.000 23.668 ( 0.000 0.000 0.000) 0.000 24.198 ( 0.000 0.000 0.000) 0.000 24.742 ( -0.000 0.000 -0.000) 0.000 25.036 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/102) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -0.000 5.067 25.573) 26.070 0.813 ( -0.000 36.474 19.962) 41.579 1.306 ( -0.000 25.460 60.242) 65.401 2.609 ( -0.000 4.231 5.068) 6.602 3.092 ( 0.000 7.306 0.670) 7.337 3.108 ( 0.000 9.536 0.604) 9.555 4.036 ( -0.000 -3.311 13.448) 13.849 4.565 ( 0.000 -0.210 -19.800) 19.801 4.633 ( 0.000 5.116 -18.452) 19.148 5.231 ( -0.000 -0.986 2.944) 3.105 5.319 ( -0.000 -0.174 12.774) 12.775 5.526 ( 0.000 20.218 -16.102) 25.847 6.578 ( -0.000 3.141 1.633) 3.540 6.742 ( 0.000 1.227 -8.826) 8.911 7.034 ( -0.000 -3.923 3.366) 5.169 7.067 ( -0.000 0.688 3.424) 3.493 8.256 ( -0.000 -27.542 19.873) 33.963 8.368 ( -0.000 -1.390 2.249) 2.644 8.467 ( -0.000 -30.072 19.880) 36.049 9.288 ( 0.000 -4.018 -3.228) 5.154 9.840 ( -0.000 0.568 3.654) 3.698 10.461 ( 0.000 45.873 -40.127) 60.947 11.552 ( 0.000 3.377 0.771) 3.464 12.112 ( 0.000 -4.859 -2.831) 5.623 12.144 ( 0.000 0.740 -3.759) 3.831 13.351 ( 0.000 -1.802 -27.146) 27.206 13.957 ( -0.000 -62.898 58.810) 86.109 14.209 ( -0.000 -2.255 25.838) 25.936 22.157 ( -0.000 -0.281 1.196) 1.229 22.683 ( 0.000 23.775 -23.780) 33.626 22.758 ( 0.000 0.488 -0.789) 0.927 22.785 ( 0.000 24.759 -20.056) 31.862 24.144 ( 0.000 0.406 -6.575) 6.588 24.766 ( -0.000 -0.178 2.601) 2.607 25.012 ( 0.000 0.525 -3.348) 3.389 25.978 ( -0.000 -31.401 28.019) 42.084 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.000 5.135 24.923) 25.447 1.620 ( -0.000 34.307 20.845) 40.144 2.552 ( -0.000 23.700 55.390) 60.247 2.772 ( -0.000 5.475 5.541) 7.789 3.250 ( 0.000 13.080 1.240) 13.139 3.303 ( 0.000 16.594 0.933) 16.620 4.165 ( -0.000 -5.442 3.943) 6.720 4.248 ( 0.000 -1.013 -18.302) 18.330 4.517 ( 0.000 6.209 1.292) 6.342 5.271 ( -0.000 -1.186 3.993) 4.166 5.470 ( 0.000 -5.053 -5.376) 7.377 5.480 ( -0.000 -0.800 8.116) 8.156 6.578 ( 0.000 3.168 -15.532) 15.852 6.670 ( -0.000 5.019 2.488) 5.602 7.042 ( -0.000 -4.820 5.508) 7.320 7.167 ( -0.000 2.551 6.630) 7.103 8.115 ( -0.000 -21.476 3.820) 21.813 8.333 ( -0.000 -12.571 2.158) 12.755 8.384 ( -0.000 -2.966 3.284) 4.425 9.137 ( 0.000 -7.217 -5.818) 9.270 9.931 ( -0.000 0.821 6.593) 6.644 10.501 ( 0.000 24.484 -16.553) 29.555 11.604 ( 0.000 4.031 -2.286) 4.635 11.965 ( -0.000 -7.895 -3.221) 8.527 12.077 ( 0.000 1.345 -6.464) 6.603 12.925 ( 0.000 -2.866 -22.887) 23.066 14.024 ( -0.000 -26.521 28.732) 39.101 14.530 ( -0.000 -3.456 20.163) 20.458 22.176 ( -0.000 -0.532 1.854) 1.929 22.647 ( 0.000 3.342 -4.491) 5.598 22.752 ( 0.000 0.878 -1.207) 1.493 22.806 ( 0.000 19.836 -16.804) 25.997 24.029 ( 0.000 1.042 -8.764) 8.826 24.793 ( -0.000 -1.687 1.808) 2.473 24.955 ( 0.000 0.659 -4.633) 4.680 25.984 ( -0.000 -17.338 15.826) 23.475 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.000 4.882 23.491) 23.993 2.389 ( -0.000 29.522 20.635) 36.019 2.868 ( 0.000 3.595 -2.999) 4.682 3.477 ( 0.000 14.377 2.852) 14.657 3.490 ( 0.000 22.591 6.418) 23.485 3.702 ( -0.000 13.084 32.599) 35.127 4.007 ( 0.000 -1.017 -10.057) 10.108 4.086 ( 0.000 2.853 0.960) 3.010 4.799 ( -0.000 1.900 21.864) 21.947 5.226 ( -0.000 -17.288 -5.324) 18.089 5.318 ( -0.000 -1.641 4.366) 4.664 5.548 ( -0.000 -0.967 2.534) 2.712 6.366 ( 0.000 4.610 -17.817) 18.403 6.777 ( -0.000 4.592 2.307) 5.139 7.057 ( -0.000 -3.598 2.421) 4.336 7.342 ( -0.000 5.813 8.252) 10.093 7.786 ( 0.000 -14.734 -11.836) 18.900 8.209 ( -0.000 -11.252 2.880) 11.614 8.373 ( -0.000 -5.206 1.893) 5.540 8.930 ( 0.000 -7.941 -6.350) 10.167 10.055 ( -0.000 0.650 7.585) 7.613 10.619 ( 0.000 17.855 -6.238) 18.914 11.514 ( 0.000 -6.170 -8.089) 10.173 11.878 ( -0.000 -0.415 0.677) 0.795 11.989 ( 0.000 1.554 -7.103) 7.271 12.574 ( 0.000 -3.450 -16.337) 16.697 14.112 ( -0.000 -12.713 16.920) 21.164 14.738 ( -0.000 -3.902 13.264) 13.826 22.197 ( -0.000 -0.626 1.734) 1.843 22.641 ( -0.000 -1.572 2.122) 2.641 22.746 ( 0.000 0.988 -1.102) 1.480 22.806 ( 0.000 15.342 -14.456) 21.079 23.917 ( 0.000 1.405 -7.452) 7.583 24.765 ( -0.000 -3.275 -0.658) 3.340 24.902 ( 0.000 0.546 -3.020) 3.068 25.992 ( -0.000 -10.770 10.027) 14.715 ======================= Grid point 4 (5/102) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -0.000 3.646 18.973) 19.320 2.772 ( 0.000 0.746 -11.345) 11.370 3.039 ( -0.000 21.177 16.636) 26.930 3.702 ( 0.000 9.727 3.726) 10.416 3.716 ( 0.000 -0.662 -0.765) 1.012 3.898 ( 0.000 20.285 -6.700) 21.363 3.905 ( 0.000 -0.597 -2.918) 2.979 4.643 ( -0.000 0.988 25.921) 25.940 4.900 ( -0.000 -15.688 6.108) 16.835 5.166 ( -0.000 6.021 15.555) 16.679 5.357 ( -0.000 -1.367 3.226) 3.504 5.549 ( -0.000 -0.675 -0.290) 0.735 6.196 ( 0.000 3.829 -8.620) 9.433 6.858 ( -0.000 2.560 1.440) 2.937 6.904 ( 0.000 -7.325 -16.329) 17.896 7.480 ( 0.000 -4.788 -5.424) 7.235 7.565 ( -0.000 7.782 7.235) 10.626 8.114 ( -0.000 -8.002 2.312) 8.329 8.280 ( -0.000 -7.768 -2.145) 8.059 8.763 ( 0.000 -4.370 -3.162) 5.394 10.167 ( -0.000 0.287 5.309) 5.316 10.779 ( 0.000 14.163 -2.119) 14.321 11.263 ( 0.000 -11.737 -5.695) 13.045 11.911 ( 0.000 1.085 -4.840) 4.960 11.925 ( 0.000 3.475 1.129) 3.654 12.328 ( 0.000 -3.394 -9.115) 9.727 14.189 ( -0.000 -5.076 8.316) 9.743 14.842 ( -0.000 -2.718 6.335) 6.893 22.211 ( -0.000 -0.433 1.000) 1.090 22.669 ( -0.000 -3.826 6.099) 7.200 22.745 ( 0.000 0.664 -0.618) 0.907 22.779 ( 0.000 10.728 -12.081) 16.157 23.844 ( 0.000 1.054 -4.110) 4.243 24.708 ( -0.000 -2.424 -0.885) 2.580 24.871 ( 0.000 -0.031 -1.578) 1.578 25.998 ( -0.000 -5.270 4.920) 7.210 ======================= Grid point 5 (6/102) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -0.000 0.000 0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 -0.000 -0.000) 0.000 3.833 ( 0.000 0.000 -0.000) 0.000 3.854 ( -0.000 0.000 0.000) 0.000 4.112 ( -0.000 0.000 0.000) 0.000 4.511 ( -0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 -0.000) 0.000 5.342 ( -0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.539 ( -0.000 0.000 0.000) 0.000 6.265 ( -0.000 0.000 0.000) 0.000 6.548 ( -0.000 0.000 0.000) 0.000 6.887 ( -0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 -0.000) 0.000 7.705 ( -0.000 0.000 0.000) 0.000 8.074 ( -0.000 0.000 0.000) 0.000 8.174 ( -0.000 0.000 0.000) 0.000 8.712 ( 0.000 0.000 0.000) 0.000 10.212 ( -0.000 0.000 0.000) 0.000 10.897 ( -0.000 -0.000 0.000) 0.000 11.097 ( 0.000 0.000 0.000) 0.000 11.879 ( -0.000 0.000 0.000) 0.000 11.970 ( -0.000 0.000 0.000) 0.000 12.222 ( -0.000 0.000 0.000) 0.000 14.220 ( -0.000 0.000 0.000) 0.000 14.871 ( -0.000 0.000 0.000) 0.000 22.216 ( -0.000 0.000 0.000) 0.000 22.707 ( -0.000 -0.000 0.000) 0.000 22.742 ( 0.000 0.000 -0.000) 0.000 22.744 ( -0.000 0.000 0.000) 0.000 23.819 ( -0.000 0.000 0.000) 0.000 24.683 ( 0.000 0.000 0.000) 0.000 24.857 ( 0.000 0.000 0.000) 0.000 25.999 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/102) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 15.476 15.476 22.081) 31.090 1.192 ( 20.628 20.628 20.312) 35.547 2.381 ( 9.033 9.033 63.145) 64.425 2.745 ( 3.528 3.528 8.552) 9.901 3.145 ( 7.020 7.020 -0.760) 9.957 3.190 ( 9.548 9.548 1.725) 13.613 4.158 ( -5.764 -5.764 -3.595) 8.909 4.324 ( 3.097 3.097 -19.837) 20.315 4.438 ( 3.351 3.351 9.714) 10.808 5.278 ( -0.725 -0.725 4.032) 4.160 5.431 ( -4.319 -4.319 7.132) 9.390 5.551 ( 3.061 3.061 0.610) 4.372 6.556 ( 1.639 1.639 -15.892) 16.061 6.635 ( 2.717 2.717 2.866) 4.794 7.114 ( -1.232 -1.232 5.945) 6.195 7.115 ( -1.002 -1.002 5.709) 5.882 8.294 ( -12.756 -12.756 0.927) 18.064 8.372 ( -3.808 -3.808 3.505) 6.426 8.461 ( -8.661 -8.661 -1.815) 12.382 9.187 ( -3.798 -3.798 -6.157) 8.170 9.944 ( 1.829 1.829 6.617) 7.104 10.274 ( 17.609 17.609 -12.366) 27.805 11.576 ( 2.289 2.289 -0.519) 3.279 12.042 ( -1.095 -1.095 -6.281) 6.469 12.043 ( -1.565 -1.565 -5.383) 5.821 12.945 ( -1.298 -1.298 -23.303) 23.375 14.271 ( -22.791 -22.791 23.003) 39.598 14.544 ( -2.307 -2.307 19.854) 20.120 22.169 ( -1.007 -1.007 1.715) 2.229 22.536 ( 17.769 17.769 -13.406) 28.481 22.679 ( -2.475 -2.475 -2.887) 4.536 22.801 ( 4.349 4.349 -0.789) 6.201 24.023 ( 1.042 1.042 -9.190) 9.308 24.808 ( -0.002 -0.002 2.157) 2.157 24.946 ( 0.566 0.566 -5.298) 5.358 26.121 ( -13.652 -13.652 12.668) 23.092 ======================= Grid point 13 (8/102) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 26.271 3.531 22.315) 34.650 1.958 ( 3.291 34.874 19.841) 40.258 2.865 ( 3.607 2.075 2.666) 4.942 3.250 ( 4.620 14.351 -1.664) 15.168 3.326 ( 6.362 13.247 12.694) 19.419 3.564 ( 7.870 13.386 42.175) 44.943 3.971 ( -5.363 -2.715 -7.694) 9.764 4.110 ( 3.662 1.411 -8.922) 9.748 4.771 ( 0.634 2.093 21.863) 21.972 5.332 ( -0.966 -1.549 4.511) 4.866 5.388 ( -4.653 -10.413 -1.024) 11.451 5.553 ( -1.164 -1.288 -0.112) 1.740 6.323 ( 2.084 3.694 -17.503) 18.009 6.728 ( 1.326 3.384 3.152) 4.811 7.141 ( 2.686 -5.120 4.572) 7.371 7.251 ( -3.386 4.135 6.632) 8.517 7.946 ( -5.659 -12.601 -17.260) 22.107 8.335 ( -2.641 -8.789 2.354) 9.474 8.404 ( -3.943 -3.645 2.210) 5.807 9.004 ( -3.443 -6.187 -7.914) 10.619 10.074 ( 3.366 0.750 7.488) 8.244 10.398 ( 5.085 16.418 -3.714) 17.584 11.562 ( 1.062 -0.242 -4.709) 4.833 11.909 ( 0.053 -2.965 -4.087) 5.050 11.960 ( -1.379 1.006 -5.627) 5.880 12.606 ( -0.875 -2.032 -16.901) 17.045 14.282 ( -7.329 -16.218 14.483) 22.946 14.759 ( -3.423 -3.178 12.462) 13.308 22.184 ( -2.281 -0.659 1.482) 2.799 22.598 ( 8.944 13.108 -7.132) 17.398 22.605 ( -6.825 -1.404 -3.066) 7.613 22.852 ( 9.089 4.290 -0.163) 10.051 23.907 ( 1.591 1.845 -7.825) 8.196 24.813 ( 1.077 -2.095 -0.374) 2.385 24.880 ( -0.657 1.566 -4.181) 4.513 26.100 ( -8.542 -12.848 8.751) 17.738 ======================= Grid point 14 (9/102) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 23.596 3.102 20.086) 31.142 2.690 ( 0.609 23.487 14.958) 27.852 2.846 ( 9.055 5.086 -4.122) 11.174 3.440 ( -1.689 22.684 -5.033) 23.296 3.620 ( 7.830 13.794 4.812) 16.576 3.822 ( -4.161 -5.028 -2.690) 7.059 3.946 ( 2.551 -1.160 -1.876) 3.372 4.570 ( 4.030 10.004 42.879) 44.215 5.070 ( 1.905 2.501 3.072) 4.395 5.153 ( -3.940 -14.757 3.249) 15.616 5.376 ( -0.770 -1.940 3.692) 4.241 5.526 ( -4.408 -0.766 -1.508) 4.721 6.165 ( 1.942 2.906 -6.284) 7.191 6.799 ( -2.457 1.122 -0.396) 2.730 7.049 ( 5.482 -6.226 -9.118) 12.327 7.412 ( -5.514 5.616 2.689) 8.317 7.574 ( 1.478 -3.646 -7.947) 8.868 8.229 ( -2.183 -9.762 0.862) 10.040 8.352 ( -3.648 -6.245 -1.153) 7.324 8.803 ( -3.282 -4.959 -6.637) 8.911 10.184 ( 2.880 0.280 5.148) 5.905 10.577 ( 1.441 14.716 -1.399) 14.852 11.412 ( 0.519 -8.061 -5.488) 9.765 11.858 ( -2.548 1.077 -1.938) 3.377 11.919 ( 2.156 2.087 -1.515) 3.361 12.368 ( -0.226 -2.467 -9.692) 10.004 14.282 ( -2.119 -9.330 7.732) 12.302 14.848 ( -4.176 -2.809 4.668) 6.864 22.194 ( -2.734 -0.427 0.736) 2.863 22.546 ( -9.117 1.985 -4.893) 10.536 22.667 ( 5.169 6.085 -1.022) 8.049 22.913 ( 13.171 3.352 1.117) 13.637 23.840 ( 2.495 2.224 -4.336) 5.475 24.753 ( 1.021 -2.908 -1.708) 3.524 24.855 ( -1.016 1.295 -2.321) 2.845 26.048 ( -7.491 -9.647 4.666) 13.075 ======================= Grid point 15 (10/102) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 24.250 0.244 4.481) 24.662 2.696 ( 5.448 -0.847 -0.080) 5.514 3.283 ( 2.270 15.014 11.864) 19.270 3.669 ( -2.311 -9.111 -5.254) 10.768 3.741 ( -2.559 22.401 1.900) 22.627 3.856 ( 4.323 14.409 0.755) 15.063 3.909 ( 3.382 -1.569 0.436) 3.753 4.728 ( 0.052 -19.255 -3.922) 19.651 5.092 ( 1.217 4.438 -9.073) 10.174 5.332 ( 0.309 2.698 17.447) 17.658 5.382 ( -0.555 -1.652 -0.043) 1.743 5.503 ( -4.713 -0.366 0.600) 4.765 6.264 ( 1.313 1.306 10.969) 11.124 6.552 ( -4.229 -4.787 -15.729) 16.977 6.931 ( 6.032 0.028 0.421) 6.047 7.428 ( -0.943 0.706 -0.585) 1.315 7.647 ( -1.261 4.643 4.013) 6.265 8.114 ( -1.573 -4.543 -1.648) 5.082 8.199 ( -2.656 -7.053 -5.000) 9.045 8.689 ( -3.631 -0.621 -3.143) 4.842 10.229 ( 2.386 0.025 0.174) 2.392 10.752 ( -0.110 13.738 -1.399) 13.809 11.228 ( 1.011 -10.952 0.037) 10.999 11.860 ( -2.503 0.107 1.399) 2.870 11.962 ( 1.976 2.687 1.441) 3.633 12.242 ( 0.598 -1.755 -2.247) 2.913 14.253 ( -0.117 -4.505 0.389) 4.524 14.840 ( -4.751 -0.559 -2.310) 5.312 22.194 ( -2.686 -0.108 -0.247) 2.700 22.508 ( -10.905 3.489 -4.973) 12.483 22.734 ( 4.334 1.788 2.675) 5.398 22.977 ( 15.331 0.463 3.681) 15.773 23.832 ( 3.399 1.701 -0.331) 3.815 24.699 ( 0.462 -1.813 -0.699) 1.997 24.842 ( -0.975 1.119 -1.159) 1.883 25.982 ( -7.563 -5.310 0.122) 9.242 ======================= Grid point 16 (11/102) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 23.923 -3.914 -16.076) 29.087 2.828 ( 5.838 -1.519 13.523) 14.808 3.319 ( 3.911 -15.203 -11.461) 19.436 3.604 ( -2.733 8.938 3.146) 9.862 3.830 ( 1.520 -6.647 -0.554) 6.841 3.929 ( 3.582 0.050 5.674) 6.710 4.119 ( 0.344 1.920 0.757) 2.092 4.534 ( -0.431 3.725 1.672) 4.106 4.822 ( 1.411 0.656 -26.531) 26.577 5.253 ( -1.762 -7.524 -21.084) 22.455 5.338 ( -1.497 0.191 -3.607) 3.910 5.515 ( -3.453 -0.056 0.075) 3.454 6.269 ( 2.065 -4.420 10.367) 11.458 6.754 ( -4.149 5.760 16.663) 18.112 6.950 ( 6.508 0.528 2.977) 7.176 7.432 ( -0.092 1.259 0.170) 1.274 7.639 ( -3.088 -4.992 -5.316) 7.920 8.048 ( 0.835 1.020 -4.854) 5.030 8.146 ( -4.228 6.974 0.723) 8.187 8.681 ( -3.803 3.660 -0.443) 5.296 10.191 ( 2.937 -0.260 -4.543) 5.416 10.871 ( -2.128 2.844 -1.017) 3.695 11.180 ( 2.904 -0.959 7.698) 8.284 11.903 ( -2.792 -1.629 5.001) 5.954 11.987 ( 2.187 -1.898 0.643) 2.966 12.285 ( 0.221 2.698 7.239) 7.728 14.160 ( 0.204 -0.809 -7.816) 7.860 14.771 ( -4.830 2.638 -8.341) 9.993 22.184 ( -2.607 0.275 -1.140) 2.859 22.488 ( -10.908 4.073 -4.163) 12.365 22.798 ( 5.715 -0.729 4.387) 7.241 23.038 ( 14.243 -4.780 7.880) 16.965 23.871 ( 3.320 0.414 3.402) 4.771 24.688 ( 0.499 0.854 0.310) 1.036 24.854 ( -0.933 1.375 0.460) 1.724 25.906 ( -7.922 -0.332 -4.846) 9.293 ======================= Grid point 17 (12/102) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 26.604 -5.631 -19.407) 33.408 2.748 ( 1.634 -20.203 -18.353) 27.343 3.003 ( 9.356 -7.867 4.586) 13.055 3.669 ( 0.795 -10.143 0.047) 10.175 3.751 ( 1.642 -2.834 1.104) 3.456 3.906 ( 0.766 -21.239 -10.353) 23.640 4.012 ( 2.217 -4.435 2.550) 5.576 4.189 ( 2.117 -8.127 -17.041) 18.998 4.804 ( -0.101 1.501 -24.773) 24.818 4.928 ( -4.212 20.451 6.518) 21.874 5.287 ( -1.389 1.579 -4.389) 4.867 5.514 ( -2.995 1.376 -1.712) 3.714 6.448 ( 2.107 -5.064 17.621) 18.455 6.841 ( 0.094 -4.215 0.572) 4.255 7.051 ( 3.330 1.131 -0.298) 3.529 7.413 ( -2.837 -7.198 -8.284) 11.335 7.582 ( -1.407 11.917 5.343) 13.136 8.050 ( -1.325 9.478 -4.627) 10.630 8.259 ( -4.043 7.024 -1.006) 8.167 8.789 ( -3.696 8.526 3.516) 9.935 10.094 ( 4.074 -0.726 -6.622) 7.809 10.823 ( -1.134 -10.345 4.771) 11.448 11.409 ( 2.475 9.182 10.694) 14.310 11.909 ( 0.412 -4.085 -0.304) 4.117 12.001 ( -1.352 -1.870 6.024) 6.451 12.514 ( -0.725 4.508 15.101) 15.776 13.988 ( -0.818 3.563 -16.580) 16.979 14.648 ( -4.347 4.737 -14.338) 15.714 22.168 ( -2.518 0.548 -1.655) 3.063 22.493 ( -9.793 4.329 -2.537) 11.004 22.847 ( 9.286 -1.607 3.961) 10.223 23.091 ( 10.068 -11.706 13.770) 20.688 23.948 ( 2.384 -0.593 6.568) 7.012 24.728 ( 1.261 3.304 0.549) 3.579 24.891 ( -0.882 1.297 1.864) 2.436 25.820 ( -8.420 5.061 -10.493) 14.374 ======================= Grid point 18 (13/102) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 32.417 -6.605 -18.010) 37.667 2.074 ( 6.189 -25.628 -24.513) 35.999 2.892 ( 3.058 -14.502 -7.982) 16.833 3.009 ( 6.245 -28.503 -34.027) 44.825 3.485 ( 5.285 -15.239 0.055) 16.130 3.596 ( 6.501 -16.961 -1.483) 18.225 4.008 ( -8.454 4.614 -3.673) 10.308 4.298 ( 6.255 2.269 14.786) 16.214 4.560 ( -1.273 -0.802 -3.708) 4.002 5.227 ( -5.461 5.498 -2.558) 8.161 5.271 ( -5.504 7.034 0.924) 8.980 5.520 ( 3.757 4.073 1.258) 5.683 6.638 ( 1.461 -3.965 14.301) 14.912 6.767 ( 2.284 -6.171 -0.285) 6.586 7.004 ( 1.989 2.119 -5.645) 6.350 7.194 ( -2.477 -4.543 -8.039) 9.560 7.805 ( -4.279 16.990 -6.759) 18.779 8.141 ( -2.430 12.246 -3.845) 13.063 8.303 ( -4.312 4.614 -2.929) 6.961 8.992 ( -3.780 9.907 4.793) 11.637 9.980 ( 4.820 -1.181 -5.927) 7.730 10.799 ( 1.167 -14.970 16.001) 21.942 11.669 ( 3.056 0.619 9.511) 10.009 11.852 ( 0.406 4.683 -3.797) 6.043 12.075 ( -3.496 -1.803 6.004) 7.178 12.865 ( -1.181 4.576 21.727) 22.235 13.738 ( -3.268 9.125 -27.388) 29.053 14.446 ( -3.592 4.916 -20.358) 21.249 22.150 ( -2.231 0.626 -1.638) 2.838 22.531 ( -8.556 4.656 -0.569) 9.757 22.872 ( 11.555 -1.852 2.094) 11.888 23.163 ( 7.422 -18.331 23.150) 30.447 24.053 ( 1.765 -0.641 7.827) 8.049 24.771 ( 1.549 2.927 -1.293) 3.555 24.948 ( -0.674 1.246 3.060) 3.372 25.715 ( -9.347 10.735 -17.287) 22.393 ======================= Grid point 19 (14/102) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 39.371 -8.244 -11.280) 41.777 1.321 ( 14.287 -24.420 -26.590) 38.826 1.868 ( 4.995 -44.519 -32.119) 55.123 2.734 ( 5.439 -8.752 -3.674) 10.940 3.286 ( 7.364 -12.690 -0.279) 14.675 3.341 ( 7.103 -15.828 -0.925) 17.373 3.935 ( -5.142 5.840 -11.607) 13.974 4.580 ( 2.030 0.667 17.609) 17.738 4.663 ( -0.748 0.054 11.920) 11.943 5.186 ( -4.653 2.600 -7.645) 9.319 5.260 ( -4.250 1.452 -6.559) 7.950 5.757 ( 5.173 -0.578 24.942) 25.480 6.675 ( 4.669 -6.220 0.545) 7.797 6.774 ( 0.869 -2.574 8.333) 8.764 6.975 ( 0.995 4.804 -3.817) 6.216 7.056 ( -3.438 -1.695 -4.129) 5.634 7.758 ( -8.487 19.090 -34.405) 40.251 8.241 ( -3.498 9.294 -2.795) 10.317 8.316 ( -3.791 4.049 -2.559) 6.108 9.179 ( -3.976 7.723 2.986) 9.185 9.887 ( 4.393 -1.490 -3.411) 5.758 10.959 ( 5.388 -16.917 35.215) 39.438 11.656 ( 4.201 -7.790 1.402) 8.961 11.968 ( -2.388 13.582 -4.332) 14.455 12.128 ( -4.141 -1.148 3.264) 5.397 13.283 ( -1.196 8.531 4.872) 9.896 13.360 ( -6.884 7.473 -23.830) 25.906 14.149 ( -2.717 3.720 -25.254) 25.671 22.137 ( -1.715 0.616 -1.049) 2.103 22.600 ( -7.403 5.123 0.621) 9.024 22.860 ( 8.894 -2.867 0.691) 9.370 23.357 ( 11.081 -21.549 39.712) 46.521 24.159 ( 1.954 0.222 5.524) 5.863 24.765 ( 0.891 0.757 -2.266) 2.550 25.002 ( -1.109 1.947 0.014) 2.241 25.555 ( -10.924 14.114 -26.895) 32.278 ======================= Grid point 20 (15/102) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 22.154 -22.154 0.000) 31.331 0.804 ( 29.010 -29.010 0.000) 41.026 0.891 ( 32.042 -32.042 0.000) 45.314 2.604 ( 5.043 -5.043 0.000) 7.133 3.142 ( 7.544 -7.544 0.000) 10.668 3.160 ( 8.595 -8.595 0.000) 12.155 3.898 ( -3.501 3.501 -0.000) 4.951 4.771 ( -0.153 0.153 -0.000) 0.216 4.775 ( 0.146 -0.146 0.000) 0.206 5.107 ( -3.809 3.809 -0.000) 5.386 5.225 ( -0.132 0.132 -0.000) 0.187 6.262 ( -7.236 7.236 -0.000) 10.234 6.656 ( 6.044 -6.044 0.000) 8.548 6.816 ( 0.888 -0.888 0.000) 1.256 7.009 ( -1.857 1.857 -0.000) 2.626 7.012 ( -1.559 1.559 -0.000) 2.205 7.253 ( 0.264 -0.264 0.000) 0.374 8.307 ( -3.767 3.767 -0.000) 5.328 8.346 ( -3.254 3.254 -0.000) 4.602 9.285 ( -4.070 4.070 -0.000) 5.756 9.836 ( 2.118 -2.118 0.000) 2.996 11.409 ( 0.535 -0.535 0.000) 0.756 11.616 ( 6.289 -6.289 0.000) 8.895 11.958 ( -11.708 11.708 -0.000) 16.557 12.152 ( -1.209 1.209 -0.000) 1.709 12.723 ( 8.689 -8.689 0.000) 12.288 13.764 ( -1.138 1.138 -0.000) 1.609 13.781 ( -2.772 2.772 -0.000) 3.920 22.137 ( -0.833 0.833 -0.000) 1.178 22.680 ( -5.305 5.305 -0.000) 7.503 22.817 ( 4.053 -4.053 0.000) 5.732 23.745 ( 4.990 -4.990 0.000) 7.056 24.210 ( 0.822 -0.822 0.000) 1.163 24.744 ( 0.204 -0.204 0.000) 0.289 24.986 ( -3.660 3.660 -0.000) 5.175 25.301 ( -1.799 1.799 -0.000) 2.545 ======================= Grid point 23 (16/102) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 14.773 14.773 20.968) 29.599 2.376 ( 20.675 20.675 18.480) 34.589 2.923 ( 5.054 5.054 -4.008) 8.194 3.224 ( 10.654 10.654 -11.138) 18.737 3.578 ( 11.109 11.109 6.600) 17.041 3.830 ( -5.169 -5.169 -1.229) 7.412 3.974 ( 0.877 0.877 -0.409) 1.306 4.524 ( 8.390 8.390 46.283) 47.780 5.050 ( 3.686 3.686 5.685) 7.713 5.256 ( -10.244 -10.244 -2.198) 14.652 5.385 ( -1.628 -1.628 4.134) 4.732 5.485 ( -3.453 -3.453 -2.554) 5.510 6.160 ( 2.576 2.576 -5.166) 6.321 6.773 ( -0.470 -0.470 -0.401) 0.776 7.182 ( -0.115 -0.115 -9.968) 9.969 7.283 ( -0.352 -0.352 5.342) 5.365 7.613 ( -1.735 -1.735 -10.920) 11.192 8.292 ( -7.378 -7.378 -0.476) 10.445 8.362 ( -4.525 -4.525 0.545) 6.422 8.814 ( -4.908 -4.908 -8.254) 10.784 10.214 ( 2.141 2.141 4.597) 5.505 10.469 ( 8.343 8.343 -0.158) 11.800 11.475 ( -2.181 -2.181 -5.383) 6.204 11.831 ( -1.602 -1.602 -2.437) 3.327 11.919 ( 2.098 2.098 -1.272) 3.228 12.384 ( -1.126 -1.126 -9.774) 9.903 14.342 ( -7.246 -7.246 7.112) 12.473 14.832 ( -4.318 -4.318 4.053) 7.329 22.173 ( -1.738 -1.738 0.877) 2.610 22.468 ( -2.237 -2.237 -5.832) 6.634 22.664 ( 6.587 6.587 0.065) 9.315 22.984 ( 8.026 8.026 1.677) 11.473 23.843 ( 3.280 3.280 -4.475) 6.446 24.807 ( 0.082 0.082 -3.442) 3.444 24.813 ( -0.508 -0.508 -1.291) 1.477 26.062 ( -11.099 -11.099 4.558) 16.345 ======================= Grid point 24 (17/102) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 32.948 1.576 13.441) 35.620 2.809 ( 9.657 -0.260 -2.531) 9.986 3.084 ( 6.328 25.446 15.451) 30.435 3.286 ( -1.502 25.499 -10.913) 27.777 3.740 ( -4.315 -6.950 -0.916) 8.232 3.817 ( 6.173 7.071 6.484) 11.408 3.982 ( 2.629 -1.139 2.130) 3.570 4.910 ( 1.689 -3.208 -16.883) 17.268 5.100 ( 0.854 -6.036 -0.464) 6.114 5.251 ( -3.888 5.054 15.668) 16.916 5.403 ( -0.755 -2.460 2.117) 3.332 5.451 ( -3.070 -0.484 7.071) 7.724 6.265 ( 0.782 0.713 14.172) 14.211 6.559 ( -4.943 -5.210 -19.613) 20.887 7.025 ( 6.498 0.808 -3.042) 7.221 7.372 ( -2.217 2.616 2.468) 4.225 7.600 ( 1.729 2.644 3.285) 4.557 8.131 ( -8.020 -8.227 -5.215) 12.617 8.272 ( -2.154 -6.206 -3.265) 7.336 8.645 ( -4.866 -2.399 -6.107) 8.168 10.269 ( 3.406 0.818 0.131) 3.505 10.594 ( 3.494 10.787 -1.188) 11.401 11.355 ( -1.200 -6.632 -1.105) 6.830 11.821 ( -3.106 -0.947 3.171) 4.539 11.956 ( 3.065 3.224 1.095) 4.581 12.270 ( 0.052 -1.215 -2.954) 3.194 14.317 ( -1.854 -5.354 0.771) 5.718 14.779 ( -6.172 -2.806 -3.967) 7.855 22.164 ( -2.396 -1.065 0.316) 2.641 22.366 ( -5.562 -0.027 -5.118) 7.559 22.766 ( 6.043 4.634 2.882) 8.142 23.122 ( 10.795 5.292 4.203) 12.736 23.856 ( 5.778 4.456 -1.022) 7.368 24.743 ( 1.301 -2.630 -1.440) 3.269 24.801 ( -2.131 1.648 -1.780) 3.228 25.952 ( -11.587 -10.109 0.457) 15.383 ======================= Grid point 25 (18/102) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 33.908 -4.539 -13.479) 36.770 2.964 ( 11.035 -0.495 15.787) 19.268 3.414 ( -2.942 12.960 -1.009) 13.328 3.541 ( 4.388 -6.832 -3.985) 9.045 3.772 ( -1.732 26.800 4.310) 27.200 3.930 ( -0.065 -2.222 6.271) 6.654 4.028 ( 7.605 1.738 3.376) 8.501 4.611 ( 0.180 -4.094 -12.565) 13.216 4.867 ( 0.544 -7.344 -14.071) 15.881 5.249 ( -6.903 0.433 -13.203) 14.905 5.346 ( -1.952 -5.262 -6.867) 8.869 5.488 ( -2.946 -2.648 -7.795) 8.744 6.364 ( 3.262 -3.536 11.923) 12.857 6.622 ( -3.105 5.764 18.713) 19.825 7.032 ( 6.270 0.714 1.043) 6.396 7.423 ( 0.216 1.569 0.263) 1.606 7.646 ( -2.182 -3.711 -1.350) 4.511 7.983 ( -9.756 1.481 -4.141) 10.702 8.110 ( 2.568 -4.278 -6.175) 7.939 8.567 ( -6.097 2.202 -3.719) 7.474 10.250 ( 5.100 0.173 -3.146) 5.995 10.724 ( -0.232 11.500 -2.261) 11.722 11.294 ( 1.345 -7.103 6.543) 9.751 11.882 ( -3.864 -2.152 6.749) 8.069 12.026 ( 2.803 1.292 2.618) 4.047 12.266 ( 0.139 0.480 3.975) 4.006 14.208 ( 1.002 -4.269 -6.542) 7.876 14.652 ( -7.703 1.124 -10.258) 12.877 22.150 ( -2.363 -0.754 -0.553) 2.541 22.312 ( -7.693 2.116 -3.568) 8.740 22.878 ( 7.147 2.628 5.077) 9.152 23.256 ( 11.936 0.445 7.735) 14.231 23.919 ( 7.539 3.855 1.337) 8.573 24.700 ( 0.817 -1.336 -0.154) 1.573 24.809 ( -2.080 2.103 -0.449) 2.992 25.806 ( -12.936 -6.792 -4.092) 15.173 ======================= Grid point 26 (19/102) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 35.382 -6.471 -14.136) 38.647 3.017 ( 7.365 -12.107 -8.430) 16.489 3.289 ( 10.437 -6.958 -0.521) 12.554 3.607 ( -2.180 6.251 2.427) 7.051 3.864 ( 1.223 -4.921 2.369) 5.597 4.105 ( 4.765 -0.156 6.724) 8.243 4.164 ( 2.991 -3.403 4.416) 6.327 4.349 ( 2.547 -7.900 -26.212) 27.495 4.623 ( -4.545 6.685 2.886) 8.583 4.778 ( -1.734 -0.307 -30.441) 30.492 5.234 ( -3.756 0.878 -4.934) 6.263 5.423 ( -7.424 1.321 -2.258) 7.871 6.561 ( 4.177 -4.866 16.944) 18.117 6.882 ( -0.512 -1.015 6.374) 6.475 7.088 ( 4.425 2.211 1.687) 5.227 7.438 ( -0.636 0.307 0.158) 0.723 7.478 ( -3.677 -3.115 -7.948) 9.295 7.931 ( -4.652 2.868 -6.427) 8.436 8.097 ( -2.399 7.226 -0.952) 7.673 8.602 ( -6.710 7.755 -0.053) 10.255 10.184 ( 7.343 -0.665 -4.754) 8.773 10.819 ( -3.412 5.439 -0.528) 6.442 11.393 ( 3.895 -0.261 12.578) 13.170 11.956 ( -3.673 -3.948 7.700) 9.400 12.037 ( 2.660 -3.578 1.007) 4.571 12.434 ( -1.732 4.553 12.824) 13.718 13.992 ( 1.279 -3.162 -14.534) 14.929 14.497 ( -7.449 4.865 -15.165) 17.582 22.128 ( -2.425 -0.259 -1.170) 2.705 22.310 ( -8.139 3.521 -1.824) 9.054 22.992 ( 10.434 1.250 5.940) 12.071 23.366 ( 10.746 -6.432 11.781) 17.194 23.998 ( 6.085 1.783 3.921) 7.455 24.710 ( 1.717 2.129 0.595) 2.799 24.844 ( -2.078 2.545 0.753) 3.371 25.640 ( -14.138 -2.213 -9.346) 17.092 ======================= Grid point 27 (20/102) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 37.292 -8.521 -11.396) 39.914 2.507 ( 13.671 -17.702 -23.761) 32.632 3.175 ( 10.145 -13.437 -0.175) 16.837 3.514 ( 4.168 -30.848 -27.995) 41.865 3.692 ( -4.951 3.353 -1.326) 6.125 3.827 ( 8.945 -10.876 0.048) 14.082 4.015 ( 4.259 -16.330 -2.490) 17.059 4.315 ( 2.423 5.065 13.374) 14.505 4.502 ( -0.987 6.145 -10.402) 12.121 4.920 ( -11.041 15.027 3.638) 18.999 5.189 ( -3.233 2.786 -3.936) 5.806 5.448 ( -4.433 5.856 1.147) 7.434 6.727 ( 3.199 -4.279 12.448) 13.546 6.884 ( 2.646 -5.288 2.491) 6.416 7.038 ( 2.797 -1.844 -5.493) 6.434 7.241 ( -1.666 -6.440 -8.831) 11.056 7.553 ( -3.515 11.383 -5.148) 12.978 7.939 ( -4.044 10.206 -4.593) 11.900 8.156 ( -5.879 5.096 -2.465) 8.161 8.768 ( -6.962 11.443 3.072) 13.742 10.092 ( 8.368 -1.762 -4.655) 9.736 10.898 ( -2.970 -0.481 8.189) 8.724 11.621 ( 2.551 6.395 8.597) 11.014 11.950 ( 5.789 -8.710 2.337) 10.716 12.034 ( -6.587 -2.573 5.087) 8.711 12.767 ( -2.700 5.899 20.154) 21.173 13.677 ( 0.506 -1.724 -21.376) 21.451 14.302 ( -6.071 6.106 -20.066) 21.835 22.110 ( -2.270 0.268 -1.140) 2.554 22.349 ( -7.853 4.569 -0.491) 9.099 23.077 ( 14.692 -0.696 3.469) 15.112 23.471 ( 6.928 -11.819 19.531) 23.857 24.093 ( 3.731 0.535 6.030) 7.112 24.756 ( 2.819 3.759 -0.946) 4.793 24.899 ( -2.182 2.909 1.176) 3.822 25.455 ( -14.386 2.736 -14.766) 20.796 ======================= Grid point 28 (21/102) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 28.726 -14.967 -7.843) 33.327 1.906 ( 32.671 -13.713 -20.572) 40.971 2.565 ( 5.299 -44.567 -19.656) 48.997 2.995 ( 10.410 -12.753 -2.631) 16.671 3.614 ( 10.875 -13.344 1.124) 17.251 3.689 ( 8.088 -11.841 -1.433) 14.411 3.765 ( -4.238 0.066 -9.267) 10.190 4.572 ( -1.385 2.950 10.829) 11.309 4.611 ( -0.403 5.928 10.177) 11.784 5.008 ( -11.296 6.312 -9.039) 15.784 5.187 ( -3.015 2.900 -1.991) 4.633 5.686 ( -3.773 10.215 14.027) 17.757 6.824 ( 3.453 -3.072 6.019) 7.588 6.858 ( 4.362 -6.432 5.665) 9.617 6.948 ( 1.780 1.389 -4.465) 5.003 7.047 ( -1.906 -4.052 -5.766) 7.301 7.497 ( -4.266 8.584 -20.966) 23.054 8.041 ( -4.801 11.429 -2.384) 12.623 8.180 ( -6.833 4.156 -2.070) 8.261 8.971 ( -7.437 10.705 2.474) 13.268 9.998 ( 7.209 -3.012 -2.909) 8.337 11.107 ( -1.438 -1.041 20.996) 21.071 11.720 ( -3.023 7.980 -11.836) 14.591 11.904 ( 8.822 -9.469 9.477) 16.040 12.071 ( -6.196 -1.237 2.975) 6.984 13.193 ( -0.758 6.008 17.532) 18.548 13.298 ( -0.591 -3.517 -16.077) 16.468 14.035 ( -4.684 5.334 -24.385) 25.398 22.101 ( -1.814 0.687 -0.742) 2.077 22.418 ( -7.469 5.657 0.213) 9.372 23.067 ( 12.974 -4.880 0.606) 13.874 23.691 ( 6.501 -11.231 29.084) 31.848 24.188 ( 3.520 1.186 4.272) 5.661 24.770 ( 2.146 1.852 -2.046) 3.496 24.914 ( -5.759 3.710 -7.604) 10.235 25.280 ( -10.189 5.486 -13.166) 17.529 ======================= Grid point 29 (22/102) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 20.900 -20.900 0.000) 29.557 1.590 ( 27.859 -27.859 0.000) 39.399 1.756 ( 30.664 -30.664 0.000) 43.365 2.814 ( 10.020 -10.020 0.000) 14.170 3.433 ( 13.183 -13.183 0.000) 18.643 3.472 ( 13.349 -13.349 0.000) 18.879 3.757 ( -6.612 6.612 -0.000) 9.351 4.749 ( -1.717 1.717 -0.000) 2.428 4.761 ( -1.613 1.613 -0.000) 2.282 4.960 ( -6.850 6.850 -0.000) 9.687 5.202 ( -1.693 1.693 -0.000) 2.395 6.018 ( -10.472 10.472 -0.000) 14.810 6.845 ( 7.517 -7.517 0.000) 10.631 6.853 ( 1.801 -1.801 0.000) 2.547 6.950 ( -2.033 2.033 -0.000) 2.875 6.970 ( -1.046 1.046 -0.000) 1.480 7.255 ( -0.207 0.207 -0.000) 0.293 8.156 ( -7.106 7.106 -0.000) 10.049 8.224 ( -5.275 5.275 -0.000) 7.459 9.120 ( -7.765 7.765 -0.000) 10.981 9.924 ( 4.292 -4.292 0.000) 6.070 11.454 ( 2.642 -2.642 0.000) 3.737 11.606 ( -13.425 13.425 -0.000) 18.986 11.842 ( 9.871 -9.871 0.000) 13.959 12.103 ( -2.301 2.301 -0.000) 3.255 12.957 ( 7.950 -7.950 0.000) 11.244 13.665 ( -5.667 5.667 -0.000) 8.015 13.718 ( -2.150 2.150 -0.000) 3.041 22.108 ( -1.206 1.206 -0.000) 1.706 22.506 ( -6.768 6.768 -0.000) 9.572 22.981 ( 7.745 -7.745 0.000) 10.953 23.906 ( 6.224 -6.224 0.000) 8.802 24.239 ( 1.228 -1.228 0.000) 1.737 24.756 ( 0.688 -0.688 0.000) 0.972 24.834 ( -7.299 7.299 -0.000) 10.322 25.233 ( -3.053 3.053 -0.000) 4.317 ======================= Grid point 34 (23/102) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 6.733 6.733 -4.502) 10.532 3.090 ( 13.305 13.305 -12.998) 22.869 3.176 ( 14.814 14.814 12.852) 24.578 3.467 ( 11.731 11.731 15.819) 22.924 3.644 ( -2.787 -2.787 -3.754) 5.442 3.950 ( -2.092 -2.092 6.436) 7.084 4.086 ( 4.422 4.422 4.185) 7.524 4.617 ( 2.986 2.986 -22.089) 22.489 4.975 ( -8.572 -8.572 -5.844) 13.458 5.156 ( -2.460 -2.460 -10.669) 11.222 5.373 ( -3.385 -3.385 -2.022) 5.197 5.489 ( -3.107 -3.107 -16.523) 17.097 6.429 ( 1.229 1.229 13.070) 13.185 6.541 ( 0.199 0.199 18.235) 18.237 7.078 ( 3.633 3.633 -0.212) 5.142 7.402 ( 0.761 0.761 1.695) 2.008 7.679 ( 0.847 0.847 3.530) 3.728 7.883 ( -9.008 -9.008 -9.611) 15.959 8.175 ( -1.710 -1.710 -5.877) 6.355 8.495 ( -2.832 -2.832 -5.678) 6.949 10.296 ( 3.242 3.242 -2.027) 5.013 10.627 ( 6.154 6.154 -3.189) 9.269 11.358 ( -2.974 -2.974 5.685) 7.072 11.867 ( -3.435 -3.435 7.898) 9.272 12.035 ( 3.038 3.038 3.588) 5.598 12.266 ( -0.364 -0.364 2.299) 2.355 14.260 ( -1.538 -1.538 -5.271) 5.703 14.575 ( -4.594 -4.594 -11.697) 13.380 22.142 ( -1.567 -1.567 0.287) 2.235 22.239 ( -2.451 -2.451 -3.948) 5.253 22.910 ( 5.607 5.607 5.263) 9.517 23.336 ( 6.136 6.136 8.237) 11.965 23.950 ( 8.327 8.327 -0.214) 11.778 24.744 ( -0.604 -0.604 -0.903) 1.243 24.749 ( -0.482 -0.482 -0.259) 0.729 25.760 ( -12.286 -12.286 -3.526) 17.729 ======================= Grid point 35 (24/102) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 29.259 -7.568 -9.051) 31.548 3.202 ( -7.191 15.967 -5.493) 18.353 3.318 ( 15.988 -8.370 -4.907) 18.702 3.645 ( 4.506 14.766 3.268) 15.780 3.834 ( 4.857 -2.283 3.094) 6.195 4.054 ( -2.651 10.281 10.646) 15.036 4.200 ( 5.079 -0.357 7.040) 8.688 4.366 ( 0.802 4.209 -16.306) 16.860 4.708 ( -3.883 -15.069 -5.499) 16.505 4.795 ( -0.721 -2.738 -32.344) 32.467 5.180 ( -5.106 -3.361 -7.024) 9.312 5.291 ( -9.153 -0.526 -5.285) 10.582 6.689 ( 5.696 -3.240 16.238) 17.511 6.833 ( -2.478 4.270 12.807) 13.725 7.113 ( 4.019 2.534 -0.271) 4.759 7.419 ( -0.849 1.187 -2.319) 2.740 7.551 ( -0.340 -11.583 -6.776) 13.424 7.767 ( -11.884 3.156 -3.669) 12.831 8.082 ( 5.362 0.869 -3.547) 6.487 8.419 ( -6.423 3.646 -3.743) 8.280 10.297 ( 8.092 1.231 -2.111) 8.453 10.669 ( -0.527 8.576 -4.013) 9.483 11.459 ( 0.988 -2.391 11.830) 12.110 11.943 ( -5.432 -4.453 7.955) 10.613 12.134 ( 4.730 -1.063 5.784) 7.547 12.350 ( -2.708 2.187 8.915) 9.571 14.087 ( 2.926 -4.724 -12.273) 13.472 14.330 ( -7.951 2.285 -16.474) 18.435 22.119 ( -0.867 -1.822 -0.439) 2.065 22.185 ( -4.895 1.212 -1.740) 5.334 23.082 ( 8.348 4.911 7.433) 12.208 23.535 ( 6.184 -0.295 11.542) 13.098 24.055 ( 10.257 7.307 -0.624) 12.609 24.721 ( 1.384 -0.747 0.633) 1.695 24.773 ( -2.849 2.212 0.524) 3.645 25.518 ( -14.799 -9.864 -7.647) 19.359 ======================= Grid point 36 (25/102) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 27.749 -11.523 -8.664) 31.271 2.934 ( 19.348 -8.799 -19.293) 28.705 3.368 ( -1.616 7.035 -2.351) 7.591 3.630 ( 6.440 -12.407 -3.752) 14.473 3.895 ( 3.693 -4.671 -5.231) 7.926 4.046 ( 1.991 -4.267 -12.020) 12.909 4.231 ( 4.472 -3.508 4.894) 7.500 4.359 ( 6.896 -7.181 2.360) 10.232 4.400 ( -1.438 2.669 -7.723) 8.297 4.575 ( -10.730 9.612 3.048) 14.724 5.090 ( -5.356 2.396 -5.290) 7.900 5.252 ( -11.247 5.664 -2.465) 12.832 6.840 ( 4.625 -3.948 10.180) 11.858 6.968 ( 1.560 -1.871 3.754) 4.475 7.112 ( 2.259 -2.376 -3.396) 4.720 7.291 ( -2.599 -3.504 -7.655) 8.811 7.420 ( -0.335 2.053 -3.909) 4.428 7.743 ( -9.078 5.889 -4.952) 11.900 8.069 ( 2.299 1.244 -1.641) 3.087 8.500 ( -8.656 10.970 0.623) 13.988 10.255 ( 11.222 -1.970 -2.689) 11.707 10.761 ( -4.930 9.824 0.219) 10.994 11.623 ( 2.067 -0.669 9.709) 9.949 11.974 ( -8.035 -3.980 3.493) 9.623 12.177 ( 8.574 -8.480 9.616) 15.424 12.627 ( -5.057 6.671 17.745) 19.621 13.765 ( 3.753 -5.849 -18.279) 19.556 14.120 ( -7.467 6.397 -19.450) 21.794 22.090 ( -0.984 -0.924 -0.612) 1.482 22.202 ( -5.515 3.073 -0.299) 6.320 23.264 ( 13.688 3.188 7.523) 15.941 23.678 ( 4.703 -6.401 13.727) 15.859 24.137 ( 6.804 3.772 1.912) 8.011 24.733 ( -0.175 2.876 -1.907) 3.456 24.825 ( -1.630 2.534 1.527) 3.378 25.264 ( -14.979 -5.147 -10.851) 19.199 ======================= Grid point 37 (26/102) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 17.943 -17.834 -10.165) 27.264 2.555 ( 37.225 -7.463 -11.994) 39.815 3.183 ( 6.114 -27.455 -13.756) 31.311 3.351 ( 12.189 -15.299 -3.474) 19.867 3.526 ( -7.777 -1.015 -5.105) 9.358 4.004 ( 13.514 -8.812 0.661) 16.147 4.097 ( 9.465 -17.869 0.676) 20.232 4.425 ( -0.737 13.199 1.207) 13.274 4.507 ( -3.998 5.893 8.887) 11.388 4.727 ( -15.172 6.626 -3.517) 16.925 5.079 ( -5.257 4.785 -2.515) 7.540 5.416 ( -10.319 13.807 5.566) 18.114 6.910 ( 3.358 -3.104 5.214) 6.935 6.976 ( 2.060 -3.026 2.129) 4.235 6.984 ( 2.078 -4.333 -2.747) 5.535 7.136 ( 2.770 -5.210 -4.217) 7.253 7.365 ( -2.220 4.551 -11.357) 12.435 7.800 ( -8.201 10.301 -2.519) 13.406 8.060 ( -2.283 1.677 -1.549) 3.228 8.690 ( -9.720 12.400 1.674) 15.844 10.169 ( 9.928 -4.595 -2.151) 11.149 10.961 ( -6.793 11.457 6.627) 14.877 11.666 ( 0.471 -2.376 -2.604) 3.556 11.981 ( -6.966 -0.359 2.495) 7.408 12.211 ( 11.105 -12.136 11.910) 20.309 13.050 ( -5.558 7.946 22.526) 24.524 13.400 ( 4.129 -5.741 -16.784) 18.213 13.881 ( -5.891 6.173 -22.544) 24.105 22.076 ( -0.950 -0.012 -0.384) 1.025 22.254 ( -5.809 4.498 0.169) 7.349 23.337 ( 16.171 -4.510 2.029) 16.910 23.866 ( 2.475 -5.237 22.353) 23.091 24.217 ( 4.485 2.824 2.085) 5.695 24.698 ( -8.390 4.591 -11.560) 15.003 24.831 ( -0.611 -1.612 -2.588) 3.110 25.109 ( -7.410 2.420 -4.133) 8.823 ======================= Grid point 38 (27/102) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 18.993 -18.993 0.000) 26.861 2.318 ( 24.343 -24.343 0.000) 34.426 2.570 ( 28.262 -28.262 0.000) 39.968 3.138 ( 13.141 -13.141 0.000) 18.584 3.547 ( -8.130 8.130 -0.000) 11.498 3.845 ( 16.301 -16.301 0.000) 23.053 3.856 ( 13.671 -13.671 0.000) 19.333 4.658 ( -6.352 6.352 -0.000) 8.984 4.661 ( -4.710 4.710 -0.000) 6.661 4.730 ( -9.790 9.790 -0.000) 13.846 5.124 ( -4.066 4.066 -0.000) 5.751 5.687 ( -13.540 13.540 -0.000) 19.148 6.914 ( 2.542 -2.542 0.000) 3.595 6.921 ( 0.335 -0.335 0.000) 0.474 6.974 ( 1.594 -1.594 0.000) 2.254 7.050 ( 6.741 -6.741 0.000) 9.533 7.241 ( -0.708 0.708 -0.000) 1.001 7.924 ( -9.502 9.502 -0.000) 13.438 8.084 ( -4.118 4.118 -0.000) 5.823 8.865 ( -10.547 10.547 -0.000) 14.915 10.073 ( 6.530 -6.530 0.000) 9.235 11.234 ( -13.418 13.418 -0.000) 18.976 11.548 ( 4.096 -4.096 0.000) 5.792 12.026 ( -3.268 3.268 -0.000) 4.622 12.149 ( 12.230 -12.230 0.000) 17.296 13.156 ( 6.483 -6.483 0.000) 9.168 13.468 ( -8.575 8.575 -0.000) 12.127 13.647 ( -2.970 2.970 -0.000) 4.200 22.078 ( -0.835 0.835 -0.000) 1.181 22.328 ( -5.942 5.942 -0.000) 8.403 23.237 ( 10.698 -10.698 0.000) 15.130 24.068 ( 5.305 -5.305 0.000) 7.502 24.271 ( 0.956 -0.956 0.000) 1.351 24.589 ( -10.369 10.369 -0.000) 14.664 24.786 ( 1.542 -1.542 0.000) 2.181 25.138 ( -3.759 3.759 -0.000) 5.317 ======================= Grid point 45 (28/102) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 3.336 3.336 -7.422) 8.795 2.949 ( 0.520 0.520 -12.297) 12.318 3.413 ( 13.456 13.456 -8.301) 20.762 3.687 ( 7.193 7.193 -7.213) 12.470 3.948 ( -0.447 -0.447 2.527) 2.605 4.077 ( 1.265 1.265 -5.399) 5.688 4.285 ( 1.789 1.789 2.563) 3.601 4.311 ( -3.719 -3.719 -8.439) 9.944 4.439 ( 2.402 2.402 0.295) 3.410 4.577 ( -7.797 -7.797 2.094) 11.224 5.024 ( -2.691 -2.691 -5.364) 6.577 5.082 ( -4.609 -4.609 -7.773) 10.145 6.936 ( 1.208 1.208 7.230) 7.429 6.963 ( 0.412 0.412 7.061) 7.085 7.139 ( 2.070 2.070 -1.417) 3.252 7.283 ( -3.476 -3.476 -8.249) 9.603 7.483 ( -1.326 -1.326 -3.353) 3.842 7.566 ( -4.284 -4.284 -5.702) 8.320 8.147 ( 4.309 4.309 1.077) 6.189 8.299 ( -1.114 -1.114 -2.880) 3.283 10.397 ( 6.280 6.280 0.582) 8.901 10.602 ( 2.297 2.297 -4.587) 5.621 11.650 ( -0.099 -0.099 10.551) 10.552 11.941 ( -6.823 -6.823 2.666) 10.010 12.357 ( 2.834 2.834 14.022) 14.583 12.486 ( -1.624 -1.624 14.585) 14.765 13.905 ( -0.060 -0.060 -16.048) 16.048 13.951 ( -1.686 -1.686 -20.649) 20.786 22.113 ( -0.913 -0.913 0.113) 1.296 22.118 ( -1.059 -1.059 -0.724) 1.664 23.339 ( 8.819 8.819 10.343) 16.203 23.759 ( -0.205 -0.205 11.103) 11.107 24.163 ( 8.443 8.443 -2.099) 12.123 24.696 ( -3.986 -3.986 -2.075) 6.007 24.802 ( 2.753 2.753 2.795) 4.793 25.196 ( -11.250 -11.250 -9.092) 18.324 ======================= Grid point 47 (29/102) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 13.787 -15.655 -10.689) 23.439 2.890 ( -2.504 5.922 -10.727) 12.506 3.391 ( 25.854 1.514 -5.554) 26.487 3.659 ( 5.448 -3.978 -3.215) 7.473 3.834 ( 3.784 -26.913 -6.683) 27.987 4.012 ( 4.249 15.371 -1.330) 16.003 4.214 ( -10.011 4.650 2.073) 11.232 4.324 ( -13.224 6.282 -3.487) 15.050 4.518 ( 10.920 -11.625 6.620) 17.269 4.587 ( 3.126 -6.826 7.355) 10.510 4.924 ( -6.076 3.822 -5.748) 9.196 5.055 ( -13.122 12.969 -1.592) 18.518 6.995 ( 3.119 -2.179 3.244) 5.000 7.036 ( 1.354 -0.487 2.163) 2.598 7.081 ( 2.194 -4.968 -3.107) 6.257 7.181 ( -2.164 1.686 -3.411) 4.378 7.344 ( 2.901 -4.535 -5.586) 7.758 7.542 ( -10.369 7.736 -3.155) 13.316 8.124 ( 7.572 -5.483 -0.345) 9.355 8.382 ( -9.882 11.764 0.513) 15.373 10.395 ( 12.471 -5.559 -0.809) 13.678 10.680 ( -7.589 13.009 0.201) 15.062 11.741 ( 1.888 -4.266 3.026) 5.561 11.886 ( -8.078 -1.649 0.760) 8.280 12.531 ( 11.728 -10.603 15.413) 22.080 12.827 ( -8.950 9.561 19.045) 23.113 13.548 ( 5.402 -5.988 -17.048) 18.859 13.712 ( -6.175 6.051 -19.621) 21.442 22.083 ( 0.643 -1.521 -0.076) 1.653 22.140 ( -3.603 2.618 0.111) 4.455 23.599 ( 16.494 1.903 8.484) 18.646 23.897 ( -1.711 0.928 11.049) 11.219 24.232 ( 4.649 4.176 -0.131) 6.251 24.536 ( -13.104 -5.692 -10.401) 17.671 24.872 ( 3.525 0.046 1.015) 3.668 25.000 ( -5.950 -0.289 -3.192) 6.758 ======================= Grid point 48 (30/102) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 16.591 -16.591 0.000) 23.463 2.816 ( 6.838 -6.838 0.000) 9.671 3.302 ( 24.668 -24.668 0.000) 34.886 3.410 ( 2.613 -2.613 0.000) 3.695 3.505 ( 12.443 -12.443 0.000) 17.597 4.134 ( 3.237 -3.237 0.000) 4.578 4.277 ( 7.685 -7.685 0.000) 10.868 4.428 ( -3.327 3.327 -0.000) 4.705 4.430 ( -11.670 11.670 -0.000) 16.504 4.556 ( 0.670 -0.670 0.000) 0.947 4.972 ( -7.067 7.067 -0.000) 9.994 5.279 ( -15.939 15.939 -0.000) 22.541 6.978 ( 3.656 -3.656 0.000) 5.170 6.989 ( 2.754 -2.754 0.000) 3.895 7.047 ( 2.669 -2.669 0.000) 3.775 7.164 ( 0.710 -0.710 0.000) 1.005 7.237 ( 1.486 -1.486 0.000) 2.101 7.647 ( -10.293 10.293 -0.000) 14.556 8.056 ( 3.022 -3.022 0.000) 4.274 8.554 ( -11.700 11.700 -0.000) 16.547 10.284 ( 8.760 -8.760 0.000) 12.388 10.876 ( -12.455 12.455 -0.000) 17.614 11.672 ( 4.734 -4.734 0.000) 6.695 11.924 ( -4.101 4.101 -0.000) 5.800 12.503 ( 13.221 -13.221 0.000) 18.698 13.196 ( -11.112 11.112 -0.000) 15.715 13.316 ( 5.227 -5.227 0.000) 7.392 13.556 ( -3.639 3.639 -0.000) 5.146 22.069 ( 0.328 -0.328 0.000) 0.464 22.188 ( -4.146 4.146 -0.000) 5.864 23.560 ( 12.574 -12.574 0.000) 17.782 24.191 ( 3.552 -3.552 0.000) 5.024 24.273 ( -12.394 12.394 -0.000) 17.528 24.285 ( -0.051 0.051 -0.000) 0.072 24.843 ( 2.595 -2.595 0.000) 3.670 25.031 ( -3.925 3.925 -0.000) 5.551 ======================= Grid point 58 (31/102) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 12.555 -12.555 0.000) 17.755 2.664 ( -12.555 12.555 -0.000) 17.755 3.652 ( 6.283 -6.283 0.000) 8.885 3.652 ( -6.283 6.283 -0.000) 8.885 3.915 ( 19.536 -19.536 0.000) 27.628 3.915 ( -19.536 19.536 -0.000) 27.628 4.146 ( 6.004 -6.004 0.000) 8.491 4.146 ( -6.004 6.004 -0.000) 8.491 4.741 ( 9.229 -9.229 0.000) 13.052 4.741 ( -9.229 9.229 -0.000) 13.052 4.819 ( 17.222 -17.222 0.000) 24.355 4.819 ( -17.222 17.222 -0.000) 24.355 7.055 ( 1.738 -1.738 0.000) 2.458 7.055 ( -1.738 1.738 -0.000) 2.458 7.099 ( 4.404 -4.404 0.000) 6.229 7.099 ( -4.404 4.404 -0.000) 6.229 7.381 ( 8.391 -8.391 0.000) 11.866 7.381 ( -8.391 8.391 -0.000) 11.866 8.247 ( 9.954 -9.954 0.000) 14.076 8.247 ( -9.954 9.954 -0.000) 14.076 10.554 ( 10.814 -10.814 0.000) 15.293 10.554 ( -10.814 10.814 -0.000) 15.293 11.803 ( 4.666 -4.666 0.000) 6.598 11.803 ( -4.666 4.666 -0.000) 6.598 12.864 ( 12.791 -12.791 0.000) 18.089 12.864 ( -12.791 12.791 -0.000) 18.089 13.447 ( 4.320 -4.320 0.000) 6.109 13.447 ( -4.320 4.320 -0.000) 6.109 22.102 ( 2.107 -2.107 0.000) 2.980 22.102 ( -2.107 2.107 -0.000) 2.980 23.918 ( 13.157 -13.157 0.000) 18.606 23.918 ( -13.157 13.157 -0.000) 18.606 24.263 ( 1.652 -1.652 0.000) 2.337 24.263 ( -1.652 1.652 -0.000) 2.337 24.927 ( 3.497 -3.497 0.000) 4.945 24.927 ( -3.497 3.497 -0.000) 4.945 ======================= Grid point 116 (32/102) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 18.608 18.608 17.300) 31.493 1.843 ( 25.154 25.154 14.401) 38.377 2.710 ( 13.809 13.809 41.980) 46.300 2.933 ( 10.536 10.536 13.687) 20.233 3.411 ( 11.800 11.800 -1.663) 16.770 3.519 ( 13.622 13.622 3.473) 19.575 3.973 ( -7.510 -7.510 0.821) 10.652 4.389 ( 1.300 1.300 -18.703) 18.793 4.511 ( 1.697 1.697 7.172) 7.562 5.225 ( -5.424 -5.424 5.910) 9.684 5.274 ( -4.825 -4.825 3.486) 7.663 5.584 ( -1.505 -1.505 -6.394) 6.739 6.621 ( 3.038 3.038 -14.499) 15.122 6.739 ( 4.522 4.522 0.274) 6.401 7.076 ( -1.284 -1.284 6.920) 7.154 7.104 ( 0.784 0.784 6.813) 6.902 7.903 ( -12.681 -12.681 6.261) 18.995 8.220 ( -7.130 -7.130 3.454) 10.658 8.294 ( -5.727 -5.727 3.303) 8.746 9.034 ( -7.193 -7.193 -5.331) 11.485 10.021 ( 3.724 3.724 5.831) 7.857 10.677 ( 10.742 10.742 -17.336) 23.050 11.680 ( 5.107 5.107 -5.765) 9.241 11.947 ( -5.046 -5.046 0.974) 7.202 11.998 ( -2.074 -2.074 -5.999) 6.678 12.889 ( -2.757 -2.757 -22.310) 22.648 13.792 ( -10.378 -10.378 29.554) 32.998 14.450 ( -4.516 -4.516 19.666) 20.677 22.133 ( -1.523 -1.523 1.381) 2.558 22.499 ( -6.470 -6.470 0.094) 9.150 22.972 ( 7.913 7.913 -0.374) 11.197 23.057 ( 15.136 15.136 -24.415) 32.470 24.065 ( 2.046 2.046 -8.510) 8.988 24.810 ( 0.242 0.242 1.691) 1.726 24.949 ( -0.571 -0.571 -4.313) 4.388 25.722 ( -14.383 -14.383 18.342) 27.389 ======================= Grid point 117 (33/102) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 31.012 6.335 17.695) 36.263 2.492 ( 10.235 28.261 16.673) 34.372 3.026 ( 9.362 8.312 0.326) 12.524 3.549 ( 8.085 14.640 -4.069) 17.212 3.639 ( 8.578 16.701 15.786) 24.530 3.800 ( -2.508 -4.119 -0.299) 4.832 3.923 ( 6.186 13.493 20.099) 24.986 4.177 ( 2.866 1.521 -3.342) 4.658 4.787 ( -1.634 -0.238 21.857) 21.919 5.126 ( -6.077 -15.032 -0.603) 16.225 5.289 ( -2.185 -2.306 4.413) 5.438 5.481 ( -5.457 -3.073 -2.048) 6.589 6.421 ( 3.763 4.687 -17.312) 18.326 6.798 ( 1.766 3.531 -0.446) 3.973 7.137 ( 4.644 -3.074 5.003) 7.487 7.275 ( -3.077 6.437 6.228) 9.471 7.697 ( -6.145 -10.990 -8.167) 15.008 8.146 ( -5.569 -10.184 3.020) 11.994 8.270 ( -5.730 -5.117 2.528) 8.088 8.834 ( -6.523 -8.185 -5.817) 11.974 10.154 ( 5.647 1.729 6.006) 8.423 10.660 ( 2.994 11.665 -6.263) 13.575 11.556 ( 2.374 -4.558 -10.127) 11.356 11.876 ( -1.484 -0.382 -3.837) 4.132 11.956 ( -0.754 1.872 -0.407) 2.059 12.551 ( -1.844 -3.302 -15.433) 15.890 14.033 ( -4.262 -6.854 17.926) 19.660 14.636 ( -6.083 -4.937 12.806) 15.012 22.137 ( -2.621 -0.932 1.255) 3.052 22.426 ( -8.119 -5.113 0.673) 9.619 22.928 ( 11.877 8.655 -12.773) 19.471 23.085 ( 9.711 9.670 -2.581) 13.945 23.978 ( 4.588 2.801 -6.461) 8.405 24.801 ( 2.246 -2.816 -0.995) 3.737 24.880 ( -1.507 0.436 -3.488) 3.825 25.770 ( -14.141 -11.402 11.554) 21.529 ======================= Grid point 118 (34/102) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 30.999 4.402 17.339) 35.791 2.910 ( 11.164 4.715 -4.188) 12.822 3.182 ( 9.460 16.734 7.497) 20.633 3.661 ( -2.887 -5.175 -0.917) 5.997 3.720 ( -0.249 13.763 -2.076) 13.921 3.937 ( 2.381 16.327 -3.584) 16.885 3.994 ( 6.375 2.232 -2.689) 7.270 4.703 ( 2.545 -8.612 16.178) 18.504 4.874 ( -1.322 -6.480 18.856) 19.982 5.147 ( -0.580 3.807 15.078) 15.562 5.329 ( -2.370 -2.298 4.870) 5.883 5.435 ( -7.168 0.301 -1.582) 7.347 6.249 ( 3.261 4.029 -10.168) 11.413 6.753 ( -2.910 -2.138 -11.605) 12.154 7.081 ( 7.610 -3.371 -4.981) 9.700 7.401 ( -3.887 3.854 -0.033) 5.474 7.560 ( -0.981 0.087 4.377) 4.486 8.058 ( -6.622 -6.366 1.217) 9.266 8.206 ( -2.440 -7.022 -0.202) 7.437 8.667 ( -6.391 -4.929 -3.027) 8.620 10.246 ( 5.333 0.493 3.717) 6.520 10.758 ( -1.776 9.596 -1.295) 9.844 11.316 ( 3.801 -8.304 -7.034) 11.527 11.826 ( -4.627 1.463 -3.462) 5.961 11.994 ( 3.381 2.878 0.227) 4.446 12.326 ( -0.429 -2.978 -7.840) 8.398 14.175 ( -0.571 -2.857 8.912) 9.376 14.721 ( -7.720 -3.491 5.978) 10.369 22.144 ( -3.174 -0.386 0.813) 3.299 22.379 ( -9.782 -2.890 0.447) 10.210 22.872 ( 9.473 4.624 -6.300) 12.280 23.157 ( 11.404 5.399 -1.709) 12.733 23.946 ( 8.917 2.686 -2.806) 9.727 24.730 ( 1.669 -2.991 -1.664) 3.808 24.847 ( -1.603 0.090 -1.667) 2.315 25.782 ( -14.811 -6.098 5.642) 16.982 ======================= Grid point 119 (35/102) ======================= q-point: (-0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 37.034 0.000 -0.000) 37.034 2.790 ( 8.504 0.000 0.000) 8.504 3.472 ( 5.329 0.000 0.000) 5.329 3.522 ( -4.761 -0.000 -0.000) 4.761 3.863 ( 0.124 0.000 0.000) 0.124 3.936 ( 6.178 0.000 -0.000) 6.178 4.119 ( 0.487 0.000 0.000) 0.487 4.508 ( -0.844 0.000 0.000) 0.844 5.151 ( 1.582 0.000 -0.000) 1.582 5.345 ( -4.603 0.000 -0.000) 4.603 5.361 ( -0.570 0.000 -0.000) 0.570 5.431 ( -1.636 0.000 0.000) 1.636 6.297 ( 1.018 0.000 0.000) 1.018 6.456 ( -4.123 0.000 0.000) 4.123 7.030 ( 8.029 0.000 0.000) 8.029 7.436 ( 0.453 0.000 -0.000) 0.453 7.628 ( -4.290 0.000 0.000) 4.290 8.028 ( -10.220 0.000 0.000) 10.220 8.128 ( 3.056 0.000 0.000) 3.056 8.612 ( -6.593 0.000 0.000) 6.593 10.279 ( 4.707 0.000 0.000) 4.707 10.831 ( -4.535 -0.000 0.000) 4.535 11.183 ( 5.868 0.000 0.000) 5.868 11.810 ( -4.816 0.000 0.000) 4.816 12.021 ( 3.483 0.000 0.000) 3.483 12.239 ( 0.692 0.000 0.000) 0.692 14.226 ( 0.749 0.000 0.000) 0.749 14.741 ( -8.529 0.000 0.000) 8.529 22.149 ( -3.236 0.000 0.000) 3.236 22.362 ( -10.593 0.000 0.000) 10.593 22.856 ( 8.852 0.000 0.000) 8.852 23.180 ( 11.534 0.000 0.000) 11.534 23.947 ( 11.646 0.000 0.000) 11.646 24.693 ( 0.743 0.000 0.000) 0.743 24.833 ( -1.597 0.000 0.000) 1.597 25.783 ( -15.173 0.000 0.000) 15.173 ======================= Grid point 125 (36/102) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 13.042 0.000 0.000) 13.042 0.870 ( 30.910 0.000 0.000) 30.910 1.630 ( 56.643 0.000 0.000) 56.643 2.665 ( 9.178 0.000 0.000) 9.178 3.228 ( 12.964 0.000 0.000) 12.964 3.287 ( 16.722 0.000 0.000) 16.722 3.870 ( -5.298 -0.000 -0.000) 5.298 4.749 ( -3.363 -0.000 -0.000) 3.363 4.785 ( 1.040 0.000 0.000) 1.040 5.111 ( -2.964 -0.000 -0.000) 2.964 5.227 ( -0.427 -0.000 -0.000) 0.427 6.177 ( -14.214 -0.000 -0.000) 14.214 6.632 ( 6.306 0.000 0.000) 6.306 6.855 ( 2.524 0.000 0.000) 2.524 6.939 ( -5.081 -0.000 -0.000) 5.081 7.050 ( 1.025 0.000 0.000) 1.025 7.251 ( -0.174 -0.000 -0.000) 0.174 8.241 ( -10.246 -0.000 -0.000) 10.246 8.323 ( -2.623 -0.000 -0.000) 2.623 9.230 ( -7.904 -0.000 -0.000) 7.904 9.823 ( 1.152 0.000 0.000) 1.152 11.463 ( 5.128 0.000 0.000) 5.128 11.695 ( 10.672 0.000 0.000) 10.672 11.779 ( -20.580 -0.000 -0.000) 20.580 12.189 ( 1.411 0.000 0.000) 1.411 12.807 ( 10.852 0.000 0.000) 10.852 13.745 ( -5.185 -0.000 -0.000) 5.185 13.756 ( -1.704 -0.000 -0.000) 1.704 22.142 ( -0.523 -0.000 -0.000) 0.523 22.688 ( -4.807 -0.000 -0.000) 4.807 22.775 ( 1.034 0.000 0.000) 1.034 23.828 ( 10.864 0.000 0.000) 10.864 24.126 ( -5.752 -0.000 -0.000) 5.752 24.746 ( 0.239 0.000 0.000) 0.239 24.963 ( -3.734 -0.000 -0.000) 3.734 25.322 ( -1.073 -0.000 -0.000) 1.073 ======================= Grid point 128 (37/102) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 12.317 12.317 16.330) 23.876 2.949 ( 19.882 19.882 15.280) 32.001 3.158 ( 11.999 11.999 -2.316) 17.127 3.536 ( 10.223 10.223 -14.044) 20.156 3.677 ( -4.373 -4.373 0.214) 6.188 3.855 ( 7.170 7.170 0.823) 10.174 4.028 ( 4.002 4.002 -2.409) 6.151 4.772 ( 9.243 9.243 41.410) 43.424 4.915 ( -13.574 -13.574 2.397) 19.346 5.141 ( 1.520 1.520 6.942) 7.267 5.334 ( -1.875 -1.875 5.608) 6.203 5.356 ( -5.901 -5.901 -1.635) 8.505 6.244 ( 3.630 3.630 -9.989) 11.231 6.747 ( -1.500 -1.500 -10.076) 10.297 7.210 ( 1.718 1.718 -9.254) 9.568 7.286 ( 0.706 0.706 5.876) 5.960 7.565 ( -1.420 -1.420 1.910) 2.771 8.055 ( -9.606 -9.606 -0.915) 13.616 8.241 ( -3.665 -3.665 1.481) 5.391 8.654 ( -6.544 -6.544 -4.893) 10.469 10.292 ( 3.562 3.562 3.013) 5.870 10.661 ( 4.612 4.612 -1.089) 6.613 11.416 ( -1.385 -1.385 -8.300) 8.528 11.772 ( -2.723 -2.723 -2.347) 4.510 11.998 ( 3.486 3.486 0.582) 4.965 12.344 ( -1.780 -1.780 -7.890) 8.282 14.197 ( -2.815 -2.815 9.724) 10.507 14.685 ( -6.233 -6.233 4.774) 10.025 22.123 ( -1.693 -1.693 0.887) 2.554 22.329 ( -5.710 -5.710 -0.759) 8.111 22.909 ( 9.016 9.016 -7.262) 14.673 23.195 ( 6.310 6.310 0.797) 8.959 23.998 ( 8.605 8.605 -2.673) 12.459 24.801 ( -0.262 -0.262 -2.054) 2.088 24.803 ( -0.383 -0.383 -3.222) 3.267 25.712 ( -14.168 -14.168 6.667) 21.117 ======================= Grid point 129 (38/102) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 8.801 3.195 8.214) 12.455 3.140 ( 37.347 -0.968 -2.681) 37.455 3.379 ( 1.737 7.655 3.430) 8.566 3.582 ( -0.742 2.063 1.029) 2.422 3.721 ( 1.070 24.886 -0.224) 24.910 3.882 ( -1.365 0.673 -1.554) 2.175 4.104 ( 7.634 3.992 1.037) 8.677 4.669 ( -6.856 -18.579 -1.865) 19.891 5.144 ( 1.602 2.776 -9.324) 9.859 5.226 ( -6.932 0.929 -0.879) 7.049 5.367 ( -0.141 -0.673 -2.036) 2.149 5.450 ( 2.259 0.596 18.064) 18.214 6.287 ( 0.125 1.403 10.876) 10.966 6.438 ( -3.541 -3.820 -14.680) 15.577 7.139 ( 8.029 1.566 -1.983) 8.417 7.398 ( -0.602 4.331 2.678) 5.127 7.611 ( -0.753 -2.670 3.221) 4.251 7.894 ( -12.304 -5.295 -4.010) 13.982 8.196 ( 1.379 -2.865 -1.343) 3.451 8.528 ( -6.875 -2.514 -2.817) 7.844 10.346 ( 5.479 1.546 -0.105) 5.693 10.723 ( -2.258 4.405 0.051) 4.950 11.297 ( 4.031 -2.441 -2.041) 5.136 11.743 ( -5.521 -1.825 2.211) 6.221 12.053 ( 4.137 3.021 0.531) 5.150 12.252 ( -0.330 -1.144 -1.515) 1.927 14.258 ( 0.804 -1.723 1.711) 2.558 14.633 ( -8.597 -3.129 -2.270) 9.426 22.117 ( -1.967 -0.836 0.466) 2.187 22.253 ( -6.576 -2.150 -1.594) 7.100 22.947 ( 8.686 4.979 -0.510) 10.025 23.275 ( 3.912 1.044 3.241) 5.186 24.105 ( 16.948 8.896 -0.845) 19.160 24.727 ( 1.660 -2.583 -1.504) 3.419 24.793 ( -2.479 1.856 -1.668) 3.517 25.607 ( -18.074 -9.929 1.727) 20.694 ======================= Grid point 130 (39/102) ======================= q-point: (-0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 20.464 -6.418 -10.851) 24.036 3.206 ( 25.857 -0.823 5.517) 26.451 3.399 ( -4.502 -1.170 -4.697) 6.610 3.592 ( 7.587 -2.292 3.250) 8.567 3.852 ( -0.336 -1.958 0.242) 2.001 4.075 ( 5.140 -1.072 6.062) 8.020 4.141 ( 1.128 4.310 2.002) 4.885 4.476 ( -5.280 0.712 -0.077) 5.328 4.913 ( 5.462 3.614 -28.196) 28.947 5.170 ( -3.702 -1.439 -14.156) 14.702 5.243 ( -4.941 -1.938 -6.047) 8.046 5.376 ( -5.999 -3.627 -9.919) 12.146 6.364 ( 4.733 -4.590 14.613) 16.032 6.656 ( -3.479 5.544 18.547) 19.668 7.152 ( 7.997 2.236 0.332) 8.311 7.441 ( 1.005 -3.658 -0.509) 3.827 7.528 ( -3.910 -1.998 -5.196) 6.803 7.855 ( -12.805 3.564 -1.163) 13.342 8.151 ( 3.511 1.731 -2.651) 4.728 8.504 ( -8.046 3.416 -0.649) 8.765 10.340 ( 7.383 -0.012 -2.009) 7.652 10.758 ( -5.875 0.282 0.081) 5.882 11.326 ( 7.291 2.483 6.172) 9.871 11.775 ( -6.592 -2.640 5.440) 8.945 12.079 ( 4.356 -1.229 0.404) 4.544 12.278 ( -1.203 2.128 4.753) 5.345 14.187 ( 2.321 -2.278 -7.371) 8.057 14.553 ( -9.577 2.738 -7.427) 12.425 22.108 ( -1.872 -0.551 -0.391) 1.990 22.229 ( -6.941 1.650 -1.084) 7.216 23.029 ( 9.499 1.350 5.495) 11.057 23.328 ( 3.248 -4.329 6.250) 8.268 24.161 ( 19.060 1.028 -1.349) 19.135 24.718 ( 1.797 2.084 1.405) 3.090 24.807 ( -2.352 2.178 -0.088) 3.207 25.503 ( -20.327 -2.575 -3.894) 20.856 ======================= Grid point 131 (40/102) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 23.052 -10.021 -13.115) 28.351 3.002 ( 18.713 -16.311 -12.270) 27.691 3.331 ( 12.632 -10.865 0.334) 16.666 3.602 ( -7.471 4.764 0.696) 8.888 3.861 ( 10.450 -6.558 3.838) 12.921 3.997 ( 4.267 -18.812 -2.079) 19.402 4.165 ( 5.167 -2.645 8.492) 10.287 4.301 ( 8.232 -10.032 -31.885) 34.425 4.640 ( -11.420 10.259 -8.495) 17.545 4.881 ( -0.388 11.142 -14.828) 18.551 5.208 ( -4.009 3.412 -4.839) 7.151 5.321 ( -10.517 3.403 0.700) 11.075 6.555 ( 5.334 -5.528 16.964) 18.622 6.867 ( 1.578 -2.149 5.323) 5.954 7.172 ( 4.212 0.963 -5.096) 6.681 7.330 ( -1.898 -5.220 -3.473) 6.550 7.503 ( -3.548 5.907 0.747) 6.931 7.909 ( -9.693 8.646 -2.941) 13.317 8.147 ( -1.567 3.551 -3.392) 5.154 8.610 ( -8.589 8.797 2.878) 12.627 10.278 ( 7.942 -2.606 -3.929) 9.236 10.761 ( -3.178 -2.592 3.890) 5.653 11.526 ( 5.154 5.670 10.354) 12.880 11.834 ( -6.445 -2.153 6.529) 9.424 12.029 ( 4.475 -4.699 -1.087) 6.580 12.463 ( -3.196 4.434 12.960) 14.065 13.979 ( 1.078 -1.359 -15.699) 15.795 14.462 ( -7.920 6.103 -12.982) 16.386 22.096 ( -1.759 0.279 -0.797) 1.951 22.258 ( -6.410 4.185 -0.532) 7.674 23.157 ( 11.962 -0.948 10.662) 16.052 23.334 ( 4.018 -10.934 7.629) 13.925 24.128 ( 11.006 -3.959 1.690) 11.818 24.798 ( 3.706 3.615 1.900) 5.515 24.846 ( -2.318 1.989 1.270) 3.308 25.417 ( -18.722 6.090 -10.280) 22.210 ======================= Grid point 132 (41/102) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 17.690 -17.690 -14.743) 29.038 2.527 ( 23.782 -23.782 -11.500) 35.545 3.099 ( 14.417 -14.417 -12.097) 23.708 3.319 ( 16.485 -16.485 -28.242) 36.621 3.675 ( -2.666 2.666 -1.187) 3.952 3.841 ( 7.650 -7.650 1.624) 10.940 3.901 ( 13.302 -13.302 -3.771) 19.185 4.384 ( -1.670 1.670 14.995) 15.180 4.511 ( -2.094 2.094 -7.343) 7.918 4.960 ( -11.845 11.845 -5.148) 17.524 5.186 ( -3.485 3.485 -3.758) 6.198 5.457 ( -7.482 7.482 5.952) 12.141 6.720 ( 4.148 -4.148 12.675) 13.967 6.864 ( 4.356 -4.356 2.476) 6.639 7.060 ( 0.381 -0.381 -7.529) 7.549 7.170 ( 3.612 -3.612 -7.534) 9.102 7.612 ( -8.580 8.580 -5.344) 13.258 7.989 ( -9.393 9.393 -3.463) 13.728 8.144 ( -4.557 4.557 -3.530) 7.348 8.799 ( -9.665 9.665 3.935) 14.224 10.150 ( 5.703 -5.703 -4.573) 9.271 10.849 ( 1.619 -1.619 12.097) 12.312 11.734 ( -3.251 3.251 5.897) 7.477 11.929 ( -2.892 2.892 5.580) 6.918 11.932 ( 7.085 -7.085 0.122) 10.021 12.790 ( -4.503 4.503 20.602) 21.564 13.670 ( 0.271 -0.271 -22.460) 22.463 14.299 ( -6.311 6.311 -19.211) 21.182 22.093 ( -1.205 1.205 -0.876) 1.917 22.324 ( -5.940 5.940 -0.069) 8.400 23.218 ( 9.499 -9.499 1.158) 13.484 23.386 ( 8.967 -8.967 22.783) 26.075 24.139 ( 3.428 -3.428 6.077) 7.774 24.824 ( 0.846 -0.846 -0.920) 1.509 24.904 ( -2.961 2.961 0.682) 4.243 25.348 ( -12.560 12.560 -15.357) 23.480 ======================= Grid point 134 (42/102) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 7.335 -49.989 0.000) 50.525 1.351 ( 27.782 -8.978 0.000) 29.197 2.387 ( 51.052 -1.389 0.000) 51.071 2.860 ( 12.866 -6.029 0.000) 14.208 3.483 ( 15.986 -7.166 0.000) 17.518 3.587 ( 20.094 -5.674 0.000) 20.880 3.750 ( -6.753 4.915 -0.000) 8.352 4.656 ( -11.068 0.036 -0.000) 11.068 4.798 ( 1.499 0.965 0.000) 1.783 5.004 ( -3.926 8.370 -0.000) 9.245 5.200 ( -1.944 1.602 -0.000) 2.519 5.924 ( -17.747 3.562 -0.000) 18.101 6.792 ( 6.563 -6.900 0.000) 9.523 6.893 ( -1.727 -0.954 -0.000) 1.973 6.897 ( 3.274 -1.532 0.000) 3.615 7.043 ( 1.792 3.421 -0.000) 3.862 7.247 ( -0.858 -0.245 -0.000) 0.892 8.065 ( -12.434 2.026 -0.000) 12.598 8.246 ( -3.845 4.519 -0.000) 5.934 9.070 ( -11.182 3.934 -0.000) 11.854 9.883 ( 1.670 -5.445 0.000) 5.695 11.458 ( -21.633 3.365 -0.000) 21.893 11.542 ( 8.552 1.889 0.000) 8.758 11.894 ( 12.594 -5.208 0.000) 13.628 12.173 ( 1.877 5.166 -0.000) 5.497 12.979 ( 8.104 -4.831 0.000) 9.435 13.637 ( -7.281 3.239 -0.000) 7.969 13.715 ( -2.554 1.673 -0.000) 3.053 22.120 ( -0.590 1.687 -0.000) 1.788 22.531 ( -5.508 8.320 -0.000) 9.978 22.898 ( 1.930 -11.646 0.000) 11.805 24.006 ( 13.376 -0.522 0.000) 13.386 24.075 ( -10.093 -7.259 -0.000) 12.432 24.754 ( 0.430 -0.652 0.000) 0.781 24.883 ( -2.164 5.613 -0.000) 6.016 25.260 ( -2.452 4.602 -0.000) 5.214 ======================= Grid point 135 (43/102) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 10.032 -0.000 17.481) 20.155 1.570 ( 24.383 -0.000 30.183) 38.802 2.510 ( 48.368 0.000 18.055) 51.627 2.834 ( 11.640 0.000 2.061) 11.821 3.437 ( 16.200 0.000 0.498) 16.207 3.546 ( 19.532 0.000 -0.025) 19.532 3.888 ( -6.442 -0.000 12.195) 13.792 4.559 ( -0.018 0.000 -21.510) 21.510 4.621 ( -7.834 0.000 -4.510) 9.040 5.190 ( -1.729 -0.000 4.872) 5.170 5.297 ( -1.507 -0.000 11.980) 12.074 5.647 ( -10.028 0.000 -25.795) 27.676 6.739 ( 8.018 0.000 0.341) 8.025 6.809 ( 3.072 0.000 -8.397) 8.941 6.917 ( -1.814 -0.000 3.648) 4.074 7.108 ( 2.483 -0.000 4.966) 5.553 7.564 ( -14.266 -0.000 26.473) 30.073 8.102 ( -12.944 -0.000 2.836) 13.251 8.294 ( -3.920 -0.000 1.917) 4.363 9.077 ( -10.935 -0.000 -2.620) 11.244 9.869 ( 1.442 -0.000 3.360) 3.656 11.125 ( 7.200 0.000 -25.569) 26.563 11.744 ( 3.794 -0.000 5.115) 6.368 11.794 ( -5.552 0.000 -3.663) 6.651 12.182 ( 1.925 0.000 -3.806) 4.265 13.178 ( -5.744 -0.000 2.743) 6.365 13.345 ( -0.999 -0.000 3.138) 3.293 14.109 ( -5.119 -0.000 25.500) 26.008 22.143 ( -0.730 -0.000 1.169) 1.378 22.611 ( -5.706 -0.000 -0.045) 5.706 22.786 ( 1.541 0.000 -0.911) 1.790 23.557 ( 15.176 0.000 -32.747) 36.092 24.132 ( -0.399 0.000 -1.985) 2.024 24.737 ( -1.862 -0.000 0.807) 2.030 24.977 ( -2.774 -0.000 1.223) 3.032 25.477 ( -7.675 -0.000 20.053) 21.472 ======================= Grid point 139 (44/102) ======================= q-point: (-0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 4.317 4.317 0.305) 6.112 3.253 ( -0.916 -0.916 -7.727) 7.835 3.629 ( 3.716 3.716 -4.003) 6.606 3.639 ( 16.961 16.961 3.541) 24.247 3.854 ( 12.986 12.986 10.326) 21.069 3.862 ( -3.489 -3.489 2.754) 5.651 4.200 ( 2.360 2.360 1.850) 3.816 4.504 ( -11.280 -11.280 -2.074) 16.087 4.915 ( 4.557 4.557 -23.384) 24.256 5.109 ( -0.863 -0.863 -5.484) 5.618 5.269 ( -3.910 -3.910 -5.422) 7.744 5.351 ( -6.590 -6.590 -25.161) 26.832 6.477 ( 1.965 1.965 17.980) 18.194 6.542 ( -0.214 -0.214 18.778) 18.780 7.206 ( 5.735 5.735 -2.426) 8.465 7.441 ( 2.077 2.077 0.449) 2.972 7.633 ( -8.873 -8.873 -6.936) 14.338 7.637 ( -3.428 -3.428 1.366) 5.036 8.191 ( 2.641 2.641 -2.665) 4.588 8.401 ( -3.843 -3.843 -3.158) 6.285 10.409 ( 4.962 4.962 -0.848) 7.068 10.688 ( -2.170 -2.170 -0.571) 3.121 11.374 ( 4.567 4.567 4.504) 7.874 11.740 ( -5.787 -5.787 6.934) 10.726 12.125 ( 3.273 3.273 2.253) 5.148 12.248 ( -1.023 -1.023 2.023) 2.487 14.249 ( 0.906 0.906 -5.071) 5.230 14.438 ( -5.095 -5.095 -9.363) 11.815 22.106 ( -0.802 -0.802 0.326) 1.180 22.161 ( -2.694 -2.694 -1.692) 4.169 23.087 ( 6.713 6.713 4.721) 10.603 23.377 ( -2.298 -2.298 8.574) 9.169 24.327 ( 17.459 17.459 -3.754) 24.975 24.734 ( -0.642 -0.642 -1.164) 1.477 24.737 ( 0.267 0.267 0.383) 0.538 25.364 ( -16.317 -16.317 -1.465) 23.122 ======================= Grid point 141 (45/102) ======================= q-point: (-0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 15.339 -10.998 -8.030) 20.512 3.230 ( -8.034 7.654 -6.528) 12.874 3.520 ( 19.903 -4.123 -3.227) 20.580 3.748 ( 5.091 -14.172 -1.138) 15.102 3.917 ( 5.960 10.804 5.180) 13.382 4.209 ( -2.008 9.439 3.489) 10.262 4.235 ( 2.328 -1.535 6.711) 7.267 4.368 ( -5.810 -7.841 1.851) 9.933 4.536 ( 7.692 -2.944 -29.311) 30.447 4.770 ( -3.564 1.296 -28.426) 28.678 5.090 ( -5.109 2.892 -3.488) 6.829 5.149 ( -8.716 -0.654 -4.629) 9.891 6.714 ( 6.371 -5.365 15.872) 17.925 6.854 ( -2.720 3.774 12.275) 13.127 7.217 ( 5.330 2.591 -4.203) 7.265 7.361 ( -4.166 -4.776 -7.316) 9.680 7.466 ( 2.767 -2.539 -1.092) 3.911 7.658 ( -11.074 5.721 -2.440) 12.701 8.166 ( 5.825 -1.451 -2.661) 6.567 8.377 ( -8.767 6.249 -0.696) 10.789 10.433 ( 9.724 -0.947 -1.245) 9.849 10.673 ( -7.196 2.108 0.299) 7.504 11.548 ( 7.307 4.964 8.207) 12.058 11.776 ( -8.403 -5.222 6.874) 12.047 12.176 ( 6.430 -4.491 4.343) 8.965 12.343 ( -4.970 4.557 9.107) 11.332 14.074 ( 4.993 -5.237 -13.308) 15.148 14.264 ( -8.414 5.358 -13.377) 16.687 22.090 ( 0.053 -1.293 -0.344) 1.339 22.143 ( -3.929 2.063 -0.448) 4.460 23.279 ( 9.533 5.002 9.700) 14.491 23.470 ( -3.222 -7.940 11.773) 14.561 24.376 ( 18.874 0.683 -5.786) 19.753 24.739 ( -5.280 5.936 -3.115) 8.533 24.802 ( 4.623 4.352 3.164) 7.094 25.144 ( -19.416 -7.806 -4.433) 21.390 ======================= Grid point 142 (46/102) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 15.644 -15.644 -12.830) 25.575 3.070 ( 11.048 -11.048 -11.543) 19.426 3.492 ( -2.441 2.441 -2.230) 4.110 3.503 ( 14.241 -14.241 -2.036) 20.242 3.780 ( 16.237 -16.237 -26.017) 34.702 4.133 ( -0.599 0.599 -1.321) 1.569 4.186 ( 11.537 -11.537 4.707) 16.981 4.377 ( 4.861 -4.861 8.787) 11.157 4.384 ( -6.493 6.493 -3.548) 9.844 4.604 ( -13.424 13.424 -9.306) 21.142 5.069 ( -4.723 4.723 -5.176) 8.450 5.202 ( -10.160 10.160 1.957) 14.501 6.845 ( 4.781 -4.781 10.295) 12.316 6.969 ( 2.618 -2.618 3.674) 5.216 7.104 ( 2.779 -2.779 -7.040) 8.062 7.250 ( 1.017 -1.017 -5.730) 5.908 7.437 ( -3.419 3.419 -3.830) 6.168 7.719 ( -9.763 9.763 -3.649) 14.281 8.094 ( 1.785 -1.785 -2.604) 3.626 8.517 ( -10.523 10.523 1.994) 15.014 10.334 ( 7.559 -7.559 -2.840) 11.061 10.774 ( -6.293 6.293 4.577) 10.008 11.688 ( 0.637 -0.637 3.044) 3.175 11.841 ( -3.423 3.423 5.033) 6.983 12.178 ( 9.538 -9.538 9.454) 16.472 12.638 ( -6.541 6.541 18.039) 20.273 13.750 ( 4.878 -4.878 -18.337) 19.592 14.111 ( -7.194 7.194 -18.433) 21.055 22.075 ( 0.013 -0.013 -0.368) 0.369 22.184 ( -4.112 4.112 0.040) 5.816 23.461 ( 7.337 -7.337 5.815) 11.895 23.560 ( 3.753 -3.753 19.120) 19.843 24.269 ( 6.330 -6.330 -0.279) 8.956 24.759 ( -8.058 8.058 -7.991) 13.919 24.860 ( 1.784 -1.784 0.031) 2.523 25.062 ( -7.408 7.408 -4.908) 11.569 ======================= Grid point 144 (47/102) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 5.815 -51.450 0.000) 51.777 1.851 ( 23.787 -11.508 0.000) 26.424 3.034 ( 36.280 -1.004 0.000) 36.294 3.173 ( 15.297 -10.527 0.000) 18.569 3.584 ( -1.044 7.288 -0.000) 7.362 3.832 ( 14.256 -11.350 0.000) 18.223 3.968 ( 19.905 -8.711 0.000) 21.728 4.431 ( -21.139 -0.276 -0.000) 21.141 4.780 ( -6.685 13.220 -0.000) 14.814 4.784 ( 1.714 4.973 -0.000) 5.260 5.125 ( -3.880 3.839 -0.000) 5.458 5.599 ( -19.419 6.355 -0.000) 20.432 6.912 ( 2.779 -2.462 0.000) 3.713 6.929 ( 4.212 -1.540 0.000) 4.484 7.026 ( 2.978 2.796 0.000) 4.085 7.041 ( 6.259 -7.009 0.000) 9.397 7.234 ( -0.944 0.027 -0.000) 0.945 7.859 ( -11.458 3.585 -0.000) 12.006 8.111 ( -3.746 6.123 -0.000) 7.178 8.822 ( -13.471 7.139 -0.000) 15.246 10.014 ( 2.510 -9.377 0.000) 9.707 11.108 ( -20.775 4.667 -0.000) 21.293 11.647 ( 10.472 1.985 0.000) 10.658 12.107 ( 1.874 7.818 -0.000) 8.040 12.176 ( 13.330 -9.423 0.000) 16.324 13.143 ( 4.166 -5.869 0.000) 7.197 13.460 ( -7.988 6.667 -0.000) 10.405 13.644 ( -3.294 2.649 -0.000) 4.227 22.090 ( -0.200 1.583 -0.000) 1.595 22.347 ( -4.973 7.357 -0.000) 8.880 23.123 ( 2.425 -16.169 0.000) 16.349 24.020 ( -15.384 -9.402 -0.000) 18.029 24.192 ( 14.109 1.347 0.000) 14.174 24.756 ( 1.574 11.729 -0.000) 11.835 24.779 ( 0.961 -1.798 0.000) 2.039 25.147 ( -3.829 5.054 -0.000) 6.341 ======================= Grid point 145 (48/102) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 8.509 -40.396 9.048) 42.262 1.949 ( 22.650 -6.808 25.161) 34.532 3.055 ( 14.772 -6.053 0.484) 15.971 3.141 ( 39.218 -1.160 14.532) 41.840 3.698 ( 8.842 -1.346 0.523) 8.959 3.727 ( 4.266 -0.771 3.538) 5.596 3.901 ( 17.821 -3.118 4.608) 18.669 4.434 ( -19.028 0.303 0.823) 19.048 4.565 ( -0.193 -0.149 -20.274) 20.276 5.108 ( -3.619 10.707 6.897) 13.240 5.193 ( -3.797 4.754 2.483) 6.571 5.510 ( -14.807 -4.133 -11.498) 19.198 6.844 ( 3.943 -0.659 -5.494) 6.794 6.893 ( 6.840 -3.539 -4.308) 8.824 6.939 ( 3.755 -1.288 3.394) 5.223 7.137 ( 4.527 1.938 6.982) 8.544 7.403 ( -8.569 0.496 16.070) 18.219 7.914 ( -12.155 1.437 2.838) 12.564 8.201 ( -4.862 4.385 1.526) 6.723 8.882 ( -13.280 3.758 -1.852) 13.925 9.930 ( 1.659 -5.583 2.971) 6.538 11.075 ( -12.105 1.894 -8.704) 15.029 11.692 ( 2.712 1.348 -0.384) 3.053 11.960 ( 12.018 -4.889 -9.782) 16.249 12.180 ( 2.494 4.306 -3.314) 5.978 13.110 ( -6.016 -0.222 -14.312) 15.526 13.356 ( 3.629 0.346 11.248) 11.824 14.010 ( -6.109 2.882 24.805) 25.708 22.120 ( -0.608 1.571 0.996) 1.957 22.455 ( -5.525 7.884 0.227) 9.630 22.913 ( 1.309 -12.430 -1.001) 12.539 23.714 ( 0.906 -5.597 -20.777) 21.537 24.168 ( 5.753 -0.026 -5.353) 7.858 24.719 ( -1.684 -1.011 -0.911) 2.165 24.927 ( -2.377 1.926 1.856) 3.579 25.355 ( -2.717 6.940 15.761) 17.435 ======================= Grid point 146 (49/102) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 7.857 -0.000 20.722) 22.162 2.349 ( 20.876 -0.000 28.695) 35.485 3.002 ( 10.368 0.000 -1.866) 10.534 3.468 ( 36.113 -0.000 27.967) 45.676 3.664 ( 15.425 0.000 -0.306) 15.428 3.749 ( 7.151 0.000 -0.583) 7.175 4.042 ( 2.640 -0.000 9.301) 9.669 4.233 ( 0.341 0.000 -18.924) 18.927 4.507 ( -10.374 -0.000 10.722) 14.919 5.146 ( -16.095 0.000 -16.365) 22.954 5.229 ( -1.587 -0.000 4.125) 4.420 5.448 ( -1.455 -0.000 8.480) 8.604 6.685 ( 4.145 0.000 -13.703) 14.317 6.841 ( 6.548 0.000 -0.537) 6.570 6.990 ( 2.246 -0.000 3.998) 4.586 7.284 ( 6.226 -0.000 9.596) 11.438 7.603 ( -15.022 -0.000 6.268) 16.277 7.985 ( -11.845 -0.000 4.710) 12.747 8.262 ( -5.860 -0.000 2.107) 6.227 8.869 ( -11.594 -0.000 -3.165) 12.018 9.961 ( 1.278 -0.000 5.864) 6.002 10.940 ( 2.951 0.000 -8.967) 9.440 11.577 ( -5.108 0.000 -12.374) 13.387 11.878 ( 7.035 0.000 1.459) 7.185 12.126 ( 2.119 0.000 -6.761) 7.085 12.800 ( -5.837 0.000 -20.502) 21.317 13.682 ( -1.280 -0.000 22.906) 22.942 14.397 ( -5.949 -0.000 21.307) 22.121 22.156 ( -0.873 -0.000 1.903) 2.094 22.542 ( -6.062 -0.000 1.816) 6.328 22.789 ( 1.857 0.000 -1.661) 2.491 23.322 ( 11.251 0.000 -22.245) 24.929 24.054 ( 1.549 0.000 -8.176) 8.321 24.715 ( -3.052 -0.000 0.750) 3.143 24.928 ( -2.425 0.000 -1.805) 3.024 25.674 ( -4.667 -0.000 15.949) 16.618 ======================= Grid point 152 (50/102) ======================= q-point: (-0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( -0.004 -0.004 -11.471) 11.471 2.950 ( 0.004 0.004 -11.471) 11.471 3.692 ( -5.754 -5.754 -1.978) 8.374 3.692 ( 5.754 5.754 -1.978) 8.374 4.097 ( -4.522 -4.522 1.956) 6.688 4.097 ( 4.522 4.522 1.956) 6.688 4.214 ( -0.014 -0.014 -20.022) 20.022 4.214 ( 0.014 0.014 -20.022) 20.022 4.481 ( -0.461 -0.461 8.366) 8.392 4.481 ( 0.461 0.461 8.366) 8.392 4.995 ( -0.979 -0.979 -5.327) 5.504 4.995 ( 0.979 0.979 -5.327) 5.504 6.963 ( -0.257 -0.257 6.915) 6.925 6.963 ( 0.257 0.257 6.915) 6.925 7.199 ( -2.215 -2.215 -5.334) 6.186 7.199 ( 2.215 2.215 -5.334) 6.186 7.484 ( -0.816 -0.816 -4.239) 4.393 7.484 ( 0.816 0.816 -4.239) 4.393 8.246 ( -1.959 -1.959 -0.363) 2.795 8.246 ( 1.959 1.959 -0.363) 2.795 10.559 ( -4.034 -4.034 -0.252) 5.711 10.559 ( 4.034 4.034 -0.252) 5.711 11.748 ( -6.306 -6.306 4.246) 9.877 11.748 ( 6.306 6.306 4.246) 9.877 12.430 ( -1.553 -1.553 14.432) 14.598 12.430 ( 1.553 1.553 14.432) 14.598 13.915 ( -0.302 -0.302 -17.708) 17.713 13.915 ( 0.302 0.302 -17.708) 17.713 22.100 ( -0.020 -0.020 -0.035) 0.045 22.100 ( 0.020 0.020 -0.035) 0.045 23.589 ( -8.804 -8.804 13.518) 18.378 23.589 ( 8.804 8.804 13.518) 18.378 24.495 ( -10.784 -10.784 -8.472) 17.447 24.495 ( 10.784 10.784 -8.472) 17.447 24.927 ( -6.969 -6.969 0.364) 9.862 24.927 ( 6.969 6.969 0.364) 9.862 ======================= Grid point 155 (51/102) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 19.719 -11.633 0.000) 22.894 2.526 ( 4.706 -41.518 0.000) 41.784 3.159 ( -6.466 4.048 -0.000) 7.629 3.529 ( 11.877 -9.397 0.000) 15.145 3.779 ( 30.047 0.110 0.000) 30.047 3.952 ( -21.627 -2.982 -0.000) 21.832 4.271 ( 3.537 -7.208 0.000) 8.029 4.379 ( 16.858 -11.715 0.000) 20.529 4.470 ( -9.451 14.616 -0.000) 17.405 4.713 ( 3.956 8.651 -0.000) 9.513 4.982 ( -5.832 7.212 -0.000) 9.275 5.218 ( -19.000 10.269 -0.000) 21.598 6.983 ( 2.242 -2.889 0.000) 3.657 7.013 ( 5.246 -0.184 0.000) 5.249 7.065 ( 2.814 -0.841 0.000) 2.937 7.159 ( 0.852 -1.077 0.000) 1.373 7.251 ( 4.231 -1.805 0.000) 4.600 7.651 ( -7.678 8.041 -0.000) 11.118 8.046 ( 1.064 -2.405 0.000) 2.630 8.517 ( -14.147 8.782 -0.000) 16.652 10.209 ( 3.494 -12.867 0.000) 13.333 10.768 ( -18.807 4.865 -0.000) 19.426 11.771 ( 10.999 1.726 0.000) 11.133 12.013 ( 1.695 9.433 -0.000) 9.584 12.508 ( 12.856 -12.089 0.000) 17.647 13.142 ( -11.155 4.860 -0.000) 12.168 13.348 ( 3.926 -0.673 0.000) 3.983 13.553 ( -3.765 3.344 -0.000) 5.035 22.080 ( 0.943 0.351 0.000) 1.006 22.201 ( -3.437 5.158 -0.000) 6.198 23.397 ( 0.939 -19.652 0.000) 19.675 23.893 ( -20.221 -7.455 -0.000) 21.552 24.353 ( 14.556 4.010 0.000) 15.098 24.616 ( 5.449 15.278 -0.000) 16.220 24.832 ( 1.805 -3.169 0.000) 3.647 25.025 ( -4.564 4.000 -0.000) 6.069 ======================= Grid point 156 (52/102) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 8.049 -44.719 3.347) 45.561 2.359 ( 18.168 -11.412 20.984) 30.011 3.333 ( 2.832 0.436 3.896) 4.837 3.436 ( 8.710 -3.338 10.360) 13.940 3.785 ( 21.545 -0.795 0.696) 21.571 3.945 ( -3.323 -1.688 2.688) 4.595 4.169 ( -7.091 -7.405 3.400) 10.802 4.240 ( 15.849 -5.240 -1.645) 16.773 4.529 ( -1.311 4.557 -13.462) 14.272 4.832 ( -8.322 12.947 -2.884) 15.659 5.090 ( -3.506 4.530 3.105) 6.516 5.324 ( -12.880 3.729 1.894) 13.542 6.909 ( 2.742 -2.342 -5.034) 6.192 7.004 ( 3.798 -0.746 -4.101) 5.640 7.040 ( 6.802 -1.574 2.239) 7.331 7.198 ( 5.668 0.645 7.118) 9.122 7.319 ( -2.717 -0.546 8.481) 8.922 7.750 ( -7.255 2.529 3.562) 8.469 8.067 ( -4.058 3.977 0.713) 5.727 8.618 ( -14.267 6.571 -0.639) 15.721 10.063 ( 1.917 -10.079 2.231) 10.500 10.817 ( -18.257 2.759 -0.270) 18.466 11.761 ( 9.232 2.327 -6.039) 11.274 12.113 ( 3.537 6.271 -3.099) 7.838 12.240 ( 10.676 -7.615 -11.449) 17.408 12.993 ( -8.277 2.959 -19.891) 21.747 13.437 ( 5.659 -2.302 15.689) 16.837 13.869 ( -6.355 4.792 23.022) 24.359 22.095 ( 0.205 1.221 0.663) 1.405 22.283 ( -4.320 6.639 0.181) 7.923 23.125 ( 0.026 -16.097 -2.229) 16.250 23.733 ( -11.495 -8.311 -7.181) 15.899 24.271 ( 11.024 3.055 -13.013) 17.326 24.717 ( -0.219 -0.515 -1.457) 1.561 24.865 ( -1.525 2.876 1.144) 3.451 25.226 ( 0.867 9.359 14.594) 17.359 ======================= Grid point 157 (53/102) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 7.445 -31.881 15.137) 36.069 2.641 ( 17.342 -3.700 26.454) 31.847 3.205 ( 10.495 -7.806 -4.792) 13.930 3.669 ( -11.393 3.772 2.275) 12.215 3.864 ( 15.234 0.477 4.725) 15.958 3.947 ( 23.572 -3.652 14.285) 27.803 4.164 ( 0.185 -0.760 -1.884) 2.040 4.238 ( 3.839 -0.152 -7.607) 8.522 4.351 ( -7.306 -4.063 12.092) 14.700 4.868 ( -13.254 8.279 -11.819) 19.593 5.197 ( -1.338 1.983 4.657) 5.235 5.424 ( -2.761 1.216 6.625) 7.280 6.750 ( 3.728 -1.572 -12.094) 12.753 6.933 ( 5.273 -0.840 -2.712) 5.989 7.051 ( 3.682 -1.596 1.310) 4.221 7.367 ( 7.672 2.234 10.410) 13.123 7.430 ( -8.553 0.083 4.551) 9.689 7.845 ( -6.946 0.194 6.381) 9.434 8.142 ( -7.199 3.923 0.885) 8.246 8.679 ( -11.937 3.650 -0.526) 12.493 10.014 ( 1.273 -5.038 5.061) 7.254 10.843 ( -13.448 1.327 0.253) 13.515 11.597 ( 6.055 -0.405 -16.215) 17.314 12.009 ( 8.428 -2.898 -3.347) 9.521 12.136 ( 2.466 2.992 -6.599) 7.653 12.709 ( -6.189 1.216 -19.117) 20.130 13.708 ( 3.998 -0.746 19.633) 20.050 14.285 ( -6.405 3.641 21.693) 22.910 22.133 ( -0.548 1.444 1.668) 2.273 22.392 ( -5.486 7.092 1.584) 9.105 22.902 ( 0.824 -10.586 -2.346) 10.874 23.449 ( -0.222 -6.847 -14.673) 16.193 24.094 ( 4.388 0.442 -11.674) 12.479 24.692 ( -1.296 -1.077 0.122) 1.689 24.883 ( -2.765 1.158 -1.254) 3.249 25.595 ( 0.754 7.026 15.152) 16.719 ======================= Grid point 158 (54/102) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 6.076 -0.000 20.076) 20.975 3.006 ( 5.322 0.000 -12.361) 13.458 3.016 ( 17.568 -0.000 22.364) 28.439 3.676 ( -9.989 -0.000 -2.709) 10.349 3.826 ( 10.268 0.000 -1.844) 10.432 4.021 ( 2.244 0.000 -10.580) 10.816 4.133 ( 2.007 0.000 -1.269) 2.375 4.319 ( 11.744 -0.000 26.006) 28.535 4.646 ( -9.446 -0.000 6.066) 11.226 4.854 ( -0.027 -0.000 18.426) 18.426 5.284 ( -0.240 -0.000 4.667) 4.674 5.517 ( -1.192 -0.000 3.161) 3.378 6.502 ( 4.709 0.000 -17.508) 18.130 6.901 ( 4.056 0.000 -1.092) 4.200 7.005 ( -2.821 0.000 -6.848) 7.406 7.448 ( -7.000 -0.000 -1.197) 7.102 7.545 ( 8.176 -0.000 9.372) 12.438 7.949 ( -5.241 -0.000 6.704) 8.509 8.181 ( -8.358 -0.000 0.212) 8.360 8.702 ( -7.850 -0.000 0.148) 7.851 10.076 ( 0.783 -0.000 6.659) 6.705 10.864 ( -7.918 -0.000 1.232) 8.013 11.337 ( 3.808 0.000 -14.561) 15.051 11.972 ( 5.063 0.000 -0.416) 5.080 12.036 ( 1.794 0.000 -7.979) 8.178 12.454 ( -4.608 0.000 -14.206) 14.935 13.979 ( 1.682 -0.000 15.019) 15.113 14.611 ( -4.980 -0.000 16.192) 16.940 22.176 ( -0.853 -0.000 2.088) 2.256 22.502 ( -6.832 -0.000 4.363) 8.106 22.785 ( 1.792 0.000 -2.127) 2.781 23.144 ( 5.869 0.000 -16.332) 17.354 23.942 ( 0.849 0.000 -7.843) 7.889 24.687 ( -1.261 -0.000 -0.020) 1.261 24.872 ( -2.213 -0.000 -1.002) 2.429 25.845 ( 0.049 -0.000 10.183) 10.183 ======================= Grid point 164 (55/102) ======================= q-point: ( 0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 11.135 -8.010 0.000) 13.717 2.691 ( -8.010 11.135 0.000) 13.717 3.345 ( -3.036 -30.512 0.000) 30.663 3.345 ( -30.512 -3.036 0.000) 30.663 3.992 ( 9.986 -3.324 0.000) 10.525 3.992 ( -3.324 9.986 -0.000) 10.525 4.272 ( 6.970 5.086 0.000) 8.628 4.272 ( 5.086 6.970 0.000) 8.628 4.773 ( 4.155 -0.716 0.000) 4.217 4.773 ( -0.716 4.155 0.000) 4.217 4.808 ( 6.061 -6.069 0.000) 8.577 4.808 ( -6.069 6.061 0.000) 8.577 7.045 ( 0.206 -1.092 0.000) 1.111 7.045 ( -1.092 0.206 0.000) 1.111 7.112 ( 2.910 -1.124 0.000) 3.120 7.112 ( -1.124 2.910 0.000) 3.120 7.423 ( 10.235 -4.649 0.000) 11.241 7.423 ( -4.649 10.235 0.000) 11.241 8.217 ( 5.261 -9.545 0.000) 10.899 8.217 ( -9.545 5.261 0.000) 10.899 10.463 ( 1.147 -12.852 0.000) 12.904 10.463 ( -12.852 1.147 0.000) 12.904 11.897 ( 7.382 4.758 0.000) 8.782 11.897 ( 4.758 7.382 0.000) 8.782 12.848 ( 5.754 -7.934 0.000) 9.801 12.848 ( -7.934 5.754 0.000) 9.801 13.450 ( 2.149 -1.782 0.000) 2.792 13.450 ( -1.782 2.149 0.000) 2.792 22.112 ( 2.814 -1.470 0.000) 3.175 22.112 ( -1.470 2.814 -0.000) 3.175 23.672 ( -9.443 -14.947 0.000) 17.680 23.672 ( -14.947 -9.443 0.000) 17.680 24.487 ( 11.231 10.171 0.000) 15.152 24.487 ( 10.171 11.231 0.000) 15.152 24.916 ( -0.020 -1.409 0.000) 1.409 24.916 ( -1.409 -0.020 0.000) 1.409 ======================= Grid point 166 (56/102) ======================= q-point: (-0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 10.853 -29.160 1.834) 31.168 2.741 ( 6.625 -14.953 15.175) 22.310 3.117 ( -14.349 2.551 6.993) 16.165 3.483 ( -26.258 3.350 13.830) 29.866 3.838 ( 11.701 -14.051 -1.707) 18.364 4.127 ( 11.140 6.170 1.336) 12.805 4.276 ( -1.093 4.792 -4.150) 6.433 4.348 ( 1.922 -3.839 -3.777) 5.718 4.601 ( 4.821 3.130 -2.899) 6.438 4.626 ( 5.402 -2.475 -10.758) 12.290 4.977 ( -1.128 5.616 6.227) 8.461 5.072 ( -7.223 10.175 8.911) 15.333 6.980 ( 1.943 -2.837 -3.735) 5.077 7.034 ( 0.115 0.443 -2.725) 2.763 7.107 ( 0.864 -0.604 0.812) 1.331 7.217 ( 2.119 3.695 6.462) 7.739 7.393 ( 8.810 -3.349 3.764) 10.149 7.605 ( -3.462 9.367 4.318) 10.880 8.068 ( 1.529 -7.465 -1.000) 7.685 8.332 ( -12.151 6.885 1.548) 14.051 10.254 ( 1.561 -13.276 0.551) 13.378 10.536 ( -16.344 2.013 3.022) 16.743 11.850 ( 8.573 3.872 -9.206) 13.162 12.055 ( 4.550 8.205 0.323) 9.387 12.503 ( 7.149 -9.983 -16.463) 20.538 12.811 ( -7.690 6.123 -17.020) 19.655 13.563 ( 5.762 -4.308 17.854) 19.249 13.713 ( -5.644 5.593 20.113) 21.626 22.101 ( 1.844 -0.361 0.355) 1.913 22.161 ( -2.420 4.172 0.181) 4.827 23.325 ( -4.186 -14.922 -6.826) 16.935 23.655 ( -15.936 -9.752 3.534) 19.015 24.358 ( 10.394 6.692 -17.982) 21.822 24.721 ( 3.379 3.278 1.259) 4.873 24.819 ( -2.437 -0.613 -2.274) 3.389 25.139 ( 4.716 8.286 15.348) 18.068 ======================= Grid point 167 (57/102) ======================= q-point: (-0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 6.878 -41.000 9.389) 42.620 2.916 ( 11.612 -6.339 22.392) 26.009 3.269 ( -18.626 5.230 1.175) 19.382 3.576 ( -2.109 -13.285 -4.854) 14.301 3.817 ( -6.458 6.498 10.876) 14.220 4.137 ( 4.125 -4.598 -4.626) 7.717 4.245 ( 9.432 -1.077 4.064) 10.327 4.349 ( -2.910 0.830 12.681) 13.037 4.372 ( -0.443 -0.736 -15.516) 15.540 4.694 ( 9.557 4.061 3.537) 10.970 5.142 ( 0.046 4.133 6.310) 7.543 5.322 ( -2.910 7.241 7.096) 10.547 6.831 ( 2.929 -3.411 -10.257) 11.199 6.983 ( 0.938 0.849 -4.857) 5.019 7.090 ( -1.334 -1.648 -1.627) 2.672 7.385 ( 1.198 1.851 4.791) 5.274 7.439 ( 8.389 0.434 8.218) 11.752 7.797 ( 0.433 3.782 8.285) 9.118 7.999 ( -5.969 -0.405 -0.664) 6.019 8.454 ( -10.195 5.876 2.872) 12.112 10.129 ( 0.989 -9.003 3.453) 9.693 10.610 ( -16.228 0.757 3.942) 16.717 11.694 ( 7.973 1.889 -16.111) 18.075 12.112 ( 3.257 4.401 -4.289) 6.955 12.179 ( 5.901 -5.261 -9.896) 12.666 12.599 ( -5.278 3.006 -16.862) 17.923 13.804 ( 6.081 -2.749 18.294) 19.473 14.131 ( -5.803 6.034 21.689) 23.248 22.116 ( 0.738 0.725 1.211) 1.593 22.237 ( -3.642 5.622 1.132) 6.793 23.054 ( -1.746 -11.064 -5.067) 12.293 23.502 ( -9.872 -11.300 -4.457) 15.653 24.147 ( 5.583 2.447 -15.759) 16.896 24.709 ( 1.023 -1.542 -0.509) 1.919 24.823 ( -2.395 2.306 -1.067) 3.492 25.517 ( 5.564 10.057 14.581) 18.567 ======================= Grid point 168 (58/102) ======================= q-point: (-0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 5.737 -26.514 16.458) 31.729 3.088 ( 6.249 -2.726 -9.833) 11.965 3.270 ( 6.062 -4.704 15.841) 17.601 3.456 ( -17.743 -0.382 0.994) 17.775 3.889 ( -15.254 3.439 -5.880) 16.706 3.990 ( 0.623 -4.014 -5.076) 6.501 4.080 ( 1.188 -3.020 -12.194) 12.618 4.409 ( 0.318 1.690 9.686) 9.838 4.703 ( 9.902 -0.851 15.851) 18.709 4.886 ( 9.235 2.983 25.940) 27.696 5.278 ( 1.347 1.886 5.579) 6.041 5.479 ( -1.174 3.329 3.557) 5.011 6.574 ( 3.461 -2.234 -16.940) 17.434 6.900 ( -2.903 2.823 -10.158) 10.936 7.000 ( -0.592 -4.074 -4.255) 5.921 7.408 ( -0.414 -0.793 1.050) 1.379 7.621 ( 6.322 3.169 7.019) 9.964 7.947 ( 3.010 -2.430 9.476) 10.235 8.037 ( -7.411 4.635 1.634) 8.893 8.576 ( -6.626 3.602 3.901) 8.491 10.114 ( 0.673 -3.917 5.666) 6.921 10.676 ( -15.963 0.030 3.641) 16.373 11.450 ( 9.203 -0.181 -14.468) 17.148 12.035 ( 3.374 0.436 -6.162) 7.039 12.056 ( 1.910 -0.018 -5.836) 6.140 12.394 ( -3.181 0.611 -12.101) 12.527 14.033 ( 4.976 -0.907 13.898) 14.789 14.516 ( -4.353 4.124 17.779) 18.763 22.155 ( -0.308 1.189 1.897) 2.260 22.354 ( -5.654 6.016 3.416) 8.935 22.863 ( 0.365 -6.456 -3.792) 7.496 23.233 ( -2.854 -9.131 -10.558) 14.248 23.962 ( 1.498 -0.155 -9.835) 9.949 24.691 ( 1.105 -0.546 -0.044) 1.234 24.833 ( -2.232 1.157 -0.595) 2.583 25.828 ( 4.373 6.353 10.202) 12.789 ======================= Grid point 169 (59/102) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 3.751 -0.000 14.197) 14.684 2.805 ( 1.255 0.000 -16.127) 16.176 3.415 ( -5.085 0.000 -4.727) 6.943 3.529 ( -0.540 -0.000 13.001) 13.012 3.815 ( -28.851 -0.000 -4.722) 29.235 3.885 ( 0.759 0.000 -6.134) 6.181 3.919 ( 4.099 0.000 -4.506) 6.091 4.607 ( 2.001 -0.000 12.085) 12.249 4.859 ( 10.146 -0.000 12.238) 15.897 5.361 ( 1.758 -0.000 3.341) 3.775 5.369 ( 6.348 -0.000 20.379) 21.345 5.530 ( -0.688 -0.000 0.737) 1.008 6.315 ( 4.136 0.000 -9.543) 10.401 6.687 ( -7.343 0.000 -18.530) 19.931 6.916 ( 1.714 0.000 -2.199) 2.788 7.419 ( -0.377 -0.000 0.977) 1.047 7.695 ( -1.569 -0.000 -0.147) 1.576 8.054 ( 4.422 -0.000 6.527) 7.883 8.135 ( 0.623 -0.000 5.532) 5.567 8.662 ( -3.020 -0.000 3.720) 4.791 10.175 ( 0.288 -0.000 4.630) 4.639 10.722 ( -15.552 -0.000 2.379) 15.732 11.278 ( 11.032 0.000 -7.181) 13.163 11.939 ( 0.920 0.000 -6.450) 6.515 11.986 ( -0.133 0.000 -2.824) 2.827 12.258 ( -0.615 0.000 -5.233) 5.269 14.196 ( 4.550 -0.000 7.445) 8.725 14.771 ( -2.186 -0.000 10.752) 10.972 22.196 ( -0.598 -0.000 1.777) 1.875 22.484 ( -8.265 -0.000 6.328) 10.410 22.772 ( 1.289 0.000 -2.223) 2.570 22.974 ( 1.819 0.000 -12.052) 12.188 23.845 ( -0.511 0.000 -4.652) 4.680 24.689 ( 1.307 0.000 0.248) 1.330 24.838 ( -1.824 -0.000 0.266) 1.843 25.994 ( 4.368 -0.000 5.153) 6.756 ======================= Grid point 176 (60/102) ======================= q-point: ( 0.60 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -13.940 -13.940 6.276) 20.689 2.795 ( -14.656 -14.656 4.555) 21.221 3.111 ( -3.817 -3.817 22.892) 23.519 3.529 ( -2.362 -2.362 1.489) 3.658 3.997 ( -6.235 -6.235 -9.563) 13.008 4.020 ( 3.209 3.209 6.319) 7.780 4.237 ( 0.900 0.900 -3.453) 3.680 4.359 ( -1.415 -1.415 -12.132) 12.295 4.395 ( 0.978 0.978 12.035) 12.114 4.814 ( 8.395 8.395 5.179) 12.953 5.109 ( 3.074 3.074 8.268) 9.341 5.216 ( 4.592 4.592 8.346) 10.575 6.903 ( -1.207 -1.207 -9.012) 9.172 6.949 ( -0.530 -0.530 -7.094) 7.134 7.093 ( -0.889 -0.889 -1.043) 1.634 7.372 ( 2.654 2.654 5.083) 6.319 7.564 ( 4.569 4.569 7.491) 9.892 7.698 ( 4.662 4.662 4.801) 8.156 8.017 ( -4.740 -4.740 0.022) 6.703 8.308 ( -0.490 -0.490 5.965) 6.005 10.238 ( -5.059 -5.059 0.777) 7.196 10.451 ( -7.537 -7.537 6.838) 12.664 11.739 ( 5.308 5.308 -15.926) 17.606 12.100 ( 4.554 4.554 -4.056) 7.612 12.281 ( -2.457 -2.457 -13.061) 13.515 12.520 ( 0.865 0.865 -14.410) 14.462 13.913 ( 0.451 0.451 15.913) 15.925 14.000 ( 1.722 1.722 23.735) 23.859 22.141 ( 0.893 0.893 0.315) 1.301 22.147 ( 0.758 0.758 1.640) 1.960 23.125 ( -6.471 -6.471 -7.601) 11.897 23.507 ( -13.443 -13.443 1.123) 19.044 24.170 ( 4.447 4.447 -17.353) 18.457 24.755 ( -0.704 -0.704 -1.330) 1.661 24.762 ( 1.312 1.312 -0.528) 1.929 25.484 ( 9.176 9.176 14.336) 19.337 ======================= Grid point 178 (61/102) ======================= q-point: (-0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 5.164 -37.198 12.146) 39.470 2.937 ( -34.308 4.663 8.375) 35.622 3.255 ( 3.707 -8.700 -11.199) 14.658 3.485 ( -1.807 0.176 15.295) 15.402 3.643 ( -12.720 -6.060 -17.219) 22.249 4.091 ( 6.270 0.997 -4.622) 7.853 4.128 ( -1.076 -3.766 -12.174) 12.789 4.329 ( -3.876 2.936 8.357) 9.668 4.805 ( 3.346 -0.304 32.155) 32.330 5.000 ( 12.244 5.609 9.352) 16.397 5.284 ( 4.044 2.047 8.803) 9.902 5.398 ( -0.115 5.993 4.831) 7.699 6.651 ( 0.892 -3.843 -16.987) 17.439 6.808 ( -3.725 1.950 -13.304) 13.952 7.050 ( 0.140 -2.334 -2.055) 3.113 7.415 ( -0.020 0.094 -0.242) 0.260 7.682 ( 4.519 -1.895 1.243) 5.056 7.870 ( -1.405 9.403 7.478) 12.096 8.054 ( 5.351 -1.657 9.551) 11.073 8.442 ( -3.502 3.887 6.960) 8.707 10.190 ( -0.430 -5.696 3.680) 6.796 10.484 ( -12.983 -3.189 5.583) 14.488 11.549 ( 6.436 2.387 -13.699) 15.322 12.045 ( 2.522 2.577 -8.751) 9.464 12.091 ( -0.186 -1.887 -7.297) 7.539 12.356 ( -0.530 0.978 -8.965) 9.033 14.121 ( 4.208 -1.225 12.631) 13.370 14.402 ( -1.083 5.366 19.455) 20.210 22.151 ( 1.332 0.149 1.179) 1.785 22.223 ( -2.776 3.840 3.005) 5.611 22.934 ( -2.324 -5.239 -6.248) 8.479 23.298 ( -9.907 -12.488 -4.593) 16.589 23.979 ( 1.330 0.605 -11.170) 11.265 24.727 ( 2.344 -0.957 -0.203) 2.540 24.782 ( -1.605 2.160 -0.542) 2.746 25.804 ( 7.845 8.983 10.128) 15.646 ======================= Grid point 179 (62/102) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 3.392 -24.410 11.442) 27.171 2.864 ( 1.098 -5.770 -17.011) 17.997 3.153 ( -33.848 2.213 10.569) 35.529 3.308 ( -19.463 -2.255 -18.554) 26.984 3.727 ( 8.630 2.213 9.048) 12.698 3.887 ( -3.860 -3.919 -11.469) 12.720 4.008 ( 6.170 -1.355 -4.389) 7.692 4.553 ( -7.577 -0.786 19.059) 20.525 5.048 ( 14.565 0.084 6.361) 15.894 5.346 ( 1.050 6.130 8.887) 10.847 5.427 ( 3.472 0.702 7.004) 7.849 5.523 ( -0.055 -0.046 4.400) 4.400 6.378 ( 3.270 -1.369 -6.904) 7.761 6.588 ( -4.284 2.027 -16.730) 17.388 6.965 ( 0.918 -3.470 -3.186) 4.799 7.411 ( -0.661 0.668 -0.120) 0.947 7.634 ( -5.681 -0.917 -3.571) 6.772 8.112 ( 6.392 5.006 8.594) 11.822 8.190 ( 7.646 -0.202 8.779) 11.644 8.601 ( -2.236 3.050 6.685) 7.680 10.197 ( 0.147 -2.601 3.933) 4.717 10.521 ( -13.983 -1.640 3.379) 14.479 11.412 ( 8.191 0.762 -6.362) 10.399 11.940 ( 1.019 1.520 -7.407) 7.630 11.978 ( -1.698 -0.864 -5.277) 5.610 12.264 ( 0.724 -0.308 -3.085) 3.183 14.272 ( 5.637 -0.041 7.582) 9.448 14.720 ( -0.619 3.792 12.652) 13.223 22.181 ( 0.065 0.996 1.507) 1.807 22.341 ( -5.992 3.647 5.160) 8.708 22.796 ( 0.031 -1.503 -5.049) 5.268 23.046 ( -4.441 -10.334 -6.839) 13.164 23.845 ( -0.571 -0.853 -5.636) 5.729 24.719 ( 2.395 -0.451 0.354) 2.463 24.806 ( -1.621 1.195 0.562) 2.091 26.031 ( 7.169 5.768 5.671) 10.808 ======================= Grid point 180 (63/102) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -0.364 0.000 -7.965) 7.973 2.675 ( 1.914 0.000 0.253) 1.931 2.997 ( -25.418 0.000 -19.241) 31.880 3.338 ( -30.201 -0.000 10.206) 31.879 3.683 ( -8.111 0.000 -10.077) 12.936 3.820 ( 9.167 0.000 2.014) 9.385 3.939 ( 3.875 0.000 -2.807) 4.785 4.863 ( -1.706 -0.000 17.628) 17.711 5.072 ( 4.030 0.000 -9.056) 9.912 5.302 ( 0.214 0.000 -18.190) 18.191 5.416 ( 2.410 0.000 -0.615) 2.488 5.538 ( -0.097 -0.000 1.377) 1.380 6.244 ( -0.296 0.000 -14.580) 14.583 6.677 ( 7.421 -0.000 24.972) 26.052 6.877 ( -0.552 0.000 -3.842) 3.881 7.438 ( -0.120 -0.000 2.818) 2.820 7.555 ( -7.707 0.000 -5.330) 9.371 8.230 ( 9.195 0.000 2.935) 9.652 8.318 ( 7.187 -0.000 6.352) 9.592 8.724 ( 0.839 -0.000 6.424) 6.478 10.213 ( 0.005 0.000 -0.418) 0.418 10.547 ( -14.264 -0.000 1.622) 14.356 11.369 ( 9.043 0.000 -0.081) 9.044 11.876 ( -0.158 0.000 -1.863) 1.869 11.906 ( -2.888 0.000 -2.743) 3.983 12.265 ( 1.848 -0.000 3.522) 3.977 14.343 ( 7.713 0.000 0.987) 7.776 14.881 ( 0.801 -0.000 4.280) 4.354 22.213 ( -0.180 -0.000 0.983) 0.999 22.463 ( -10.103 -0.000 7.053) 12.321 22.753 ( 0.536 0.000 -1.792) 1.871 22.830 ( 0.086 0.000 -7.826) 7.826 23.790 ( -1.516 -0.000 -0.339) 1.553 24.726 ( 2.383 0.000 0.955) 2.567 24.831 ( -1.400 -0.000 1.610) 2.133 26.126 ( 7.895 0.000 0.940) 7.950 ======================= Grid point 188 (64/102) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -15.851 -15.851 9.397) 24.307 2.629 ( -17.957 -17.957 10.141) 27.345 2.949 ( -3.592 -3.592 -18.895) 19.566 3.169 ( -9.729 -9.729 -17.033) 21.896 3.777 ( 5.982 5.982 8.968) 12.328 3.887 ( -4.900 -4.900 -12.929) 14.669 4.077 ( 2.360 2.360 -5.898) 6.777 4.490 ( -5.403 -5.403 21.275) 22.606 5.220 ( 8.087 8.087 4.117) 12.155 5.237 ( 3.226 3.226 11.182) 12.077 5.449 ( 2.162 2.162 0.638) 3.124 5.522 ( -0.385 -0.385 8.295) 8.313 6.420 ( 0.520 0.520 -3.462) 3.539 6.535 ( -0.189 -0.189 -18.048) 18.050 7.004 ( -1.735 -1.735 -2.765) 3.697 7.393 ( -0.001 -0.001 -2.045) 2.045 7.600 ( -4.296 -4.296 -3.478) 7.001 8.118 ( 7.883 7.883 10.583) 15.372 8.263 ( 3.966 3.966 7.408) 9.292 8.552 ( 1.193 1.193 8.608) 8.772 10.228 ( -1.775 -1.775 3.026) 3.932 10.422 ( -7.597 -7.597 4.320) 11.580 11.466 ( 3.759 3.759 -6.024) 8.035 11.934 ( 1.538 1.538 -8.284) 8.564 11.971 ( -1.368 -1.368 -5.604) 5.928 12.273 ( 0.247 0.247 -2.409) 2.434 14.320 ( 2.523 2.523 7.567) 8.365 14.681 ( 3.022 3.022 13.541) 14.199 22.178 ( 0.834 0.834 0.513) 1.287 22.265 ( -0.838 -0.838 5.392) 5.520 22.807 ( -1.551 -1.551 -6.242) 6.616 23.091 ( -9.477 -9.477 -4.502) 14.139 23.848 ( -0.849 -0.849 -5.945) 6.065 24.760 ( 0.269 0.269 -0.162) 0.413 24.766 ( 0.886 0.886 1.135) 1.690 26.040 ( 8.084 8.084 5.870) 12.852 ======================= Grid point 189 (65/102) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -0.488 -23.819 -11.539) 26.472 2.569 ( -33.537 -0.711 -15.896) 37.120 2.756 ( 1.358 -5.921 1.991) 6.393 3.012 ( -16.403 -0.181 6.740) 17.735 3.608 ( -8.449 -5.658 -12.689) 16.261 3.900 ( 6.725 4.196 -0.781) 7.965 4.001 ( 3.085 -0.583 -4.492) 5.481 4.802 ( -7.156 -3.500 23.504) 24.818 5.101 ( -3.120 -3.014 -32.062) 32.354 5.352 ( 8.518 3.941 -0.909) 9.429 5.446 ( 2.451 0.228 -1.561) 2.915 5.507 ( -0.045 3.637 1.181) 3.824 6.248 ( -0.239 -0.703 -16.089) 16.106 6.720 ( 6.542 6.428 21.625) 23.490 6.934 ( -0.029 -5.782 3.809) 6.923 7.377 ( -2.619 3.446 -1.852) 4.708 7.508 ( -4.269 -4.260 -0.710) 6.073 8.329 ( 8.105 4.031 4.501) 10.109 8.390 ( 5.351 2.384 4.199) 7.207 8.721 ( 1.542 2.171 9.533) 9.898 10.227 ( -0.183 -1.816 -0.461) 1.882 10.392 ( -10.304 -3.172 0.925) 10.821 11.457 ( 4.555 1.199 0.062) 4.711 11.859 ( 0.219 1.396 -3.304) 3.593 11.891 ( -1.548 -1.403 -2.046) 2.924 12.285 ( 0.883 0.043 3.832) 3.933 14.435 ( 6.699 2.328 2.878) 7.653 14.874 ( 1.978 2.929 5.296) 6.367 22.200 ( 0.335 1.256 0.604) 1.433 22.345 ( -6.480 -1.337 5.981) 8.919 22.717 ( 0.765 2.356 -5.092) 5.663 22.902 ( -4.735 -8.783 -3.524) 10.582 23.779 ( -1.431 -1.131 -0.804) 1.994 24.760 ( 1.585 -0.651 1.168) 2.074 24.807 ( -0.715 1.145 1.561) 2.063 26.198 ( 8.250 5.634 1.908) 10.170 ======================= Grid point 190 (66/102) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -2.306 0.000 -22.367) 22.486 2.260 ( -33.211 0.000 -20.805) 39.189 2.796 ( 2.938 -0.000 6.445) 7.083 3.159 ( -18.664 -0.000 8.400) 20.467 3.379 ( -12.406 0.000 -9.631) 15.706 3.917 ( 4.047 0.000 -0.926) 4.152 3.952 ( 2.233 0.000 0.256) 2.248 4.398 ( -9.836 0.000 -48.520) 49.507 4.990 ( -5.139 -0.000 -1.510) 5.356 5.381 ( 12.836 0.000 1.584) 12.933 5.405 ( 1.515 0.000 -3.841) 4.129 5.566 ( 0.468 -0.000 1.174) 1.264 6.116 ( -2.316 -0.000 3.242) 3.984 6.787 ( -2.171 0.000 -4.932) 5.389 7.122 ( 9.022 -0.000 7.573) 11.779 7.376 ( -5.119 0.000 -5.811) 7.744 7.614 ( 2.828 -0.000 23.223) 23.394 8.376 ( 8.732 0.000 -0.516) 8.747 8.452 ( 4.141 0.000 0.437) 4.164 8.889 ( 4.168 -0.000 9.564) 10.432 10.160 ( -0.172 0.000 -5.873) 5.876 10.363 ( -13.373 -0.000 -1.294) 13.436 11.492 ( 3.747 -0.000 3.383) 5.048 11.867 ( -0.300 -0.000 1.394) 1.426 11.884 ( -0.781 -0.000 3.588) 3.672 12.397 ( 1.443 -0.000 10.527) 10.625 14.456 ( 12.003 0.000 -3.320) 12.454 14.910 ( 2.149 0.000 -3.643) 4.229 22.219 ( 0.169 0.000 -0.243) 0.296 22.413 ( -12.078 -0.000 5.778) 13.389 22.735 ( -0.092 0.000 -0.770) 0.775 22.742 ( 0.161 0.000 -3.452) 3.456 23.798 ( -1.678 -0.000 4.303) 4.619 24.780 ( 2.038 -0.000 2.038) 2.883 24.842 ( -1.409 -0.000 1.994) 2.442 26.238 ( 9.957 0.000 -2.377) 10.237 ======================= Grid point 199 (67/102) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -11.227 -11.227 -22.532) 27.564 1.874 ( -14.405 -14.405 -21.598) 29.689 2.864 ( 0.298 0.298 4.867) 4.885 2.982 ( -6.444 -6.444 9.827) 13.402 3.292 ( -9.005 -9.005 -10.971) 16.808 3.946 ( 3.053 3.053 0.137) 4.319 3.972 ( 0.644 0.644 -2.785) 2.930 4.325 ( -5.749 -5.749 -50.878) 51.524 4.952 ( -2.938 -2.938 0.299) 4.165 5.415 ( 0.833 0.833 -3.956) 4.128 5.487 ( 5.942 5.942 1.181) 8.485 5.552 ( 1.520 1.520 1.980) 2.922 6.100 ( -1.727 -1.727 1.911) 3.102 6.768 ( -0.672 -0.672 -5.400) 5.483 7.236 ( 3.413 3.413 4.699) 6.737 7.296 ( 0.463 0.463 -4.737) 4.782 7.635 ( -0.315 -0.315 28.447) 28.450 8.451 ( 4.028 4.028 -0.141) 5.699 8.467 ( 2.809 2.809 -0.373) 3.991 8.918 ( 2.557 2.557 10.757) 11.348 10.171 ( -0.987 -0.987 -5.698) 5.867 10.253 ( -6.440 -6.440 -3.561) 9.779 11.517 ( 0.845 0.845 2.387) 2.669 11.862 ( 0.736 0.736 2.887) 3.069 11.882 ( -0.745 -0.745 2.861) 3.049 12.407 ( 0.544 0.544 10.733) 10.760 14.551 ( 6.858 6.858 -0.190) 9.701 14.920 ( 2.133 2.133 -3.487) 4.611 22.210 ( 0.873 0.873 -0.359) 1.285 22.331 ( -7.117 -7.117 3.881) 10.787 22.683 ( 3.377 3.377 -2.474) 5.378 22.801 ( -4.744 -4.744 -1.335) 6.840 23.787 ( -1.106 -1.106 4.197) 4.479 24.801 ( -0.260 -0.260 3.092) 3.114 24.826 ( 0.376 0.376 0.833) 0.989 26.309 ( 6.516 6.516 -1.123) 9.283 ======================= Grid point 200 (68/102) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -1.836 0.000 -25.708) 25.774 1.485 ( -27.816 0.000 -23.289) 36.278 2.857 ( 3.114 0.000 -6.754) 7.437 3.061 ( -7.751 -0.000 1.023) 7.819 3.105 ( -11.047 -0.000 -1.467) 11.144 3.353 ( -8.058 0.000 -58.912) 59.460 4.044 ( 1.042 -0.000 9.282) 9.340 4.057 ( -0.691 -0.000 8.967) 8.994 4.737 ( -1.528 0.000 -21.485) 21.539 5.351 ( 0.625 0.000 -4.622) 4.664 5.533 ( 5.323 0.000 -0.655) 5.363 5.567 ( 0.373 0.000 -2.273) 2.303 6.266 ( -2.233 -0.000 17.837) 17.976 6.679 ( -2.060 0.000 -4.766) 5.192 7.192 ( 4.138 0.000 -5.242) 6.678 7.236 ( -1.906 0.000 -6.081) 6.373 8.160 ( 10.218 -0.000 29.725) 31.432 8.449 ( 4.528 0.000 -1.770) 4.862 8.467 ( 1.662 0.000 -2.878) 3.323 9.094 ( 3.328 -0.000 9.019) 9.613 10.043 ( -0.251 0.000 -8.194) 8.198 10.138 ( -13.065 -0.000 -4.017) 13.669 11.551 ( -0.482 -0.000 1.438) 1.517 11.942 ( 1.609 -0.000 6.048) 6.258 11.957 ( -0.633 -0.000 6.632) 6.663 12.632 ( 0.922 -0.000 17.581) 17.605 14.585 ( 15.230 0.000 -4.026) 15.753 14.815 ( 1.629 0.000 -12.137) 12.246 22.209 ( 0.220 0.000 -1.430) 1.447 22.305 ( -12.784 -0.000 2.485) 13.023 22.724 ( 0.607 0.000 -0.052) 0.609 22.730 ( -0.270 -0.000 0.424) 0.502 23.877 ( -1.041 -0.000 8.033) 8.101 24.827 ( 0.927 0.000 -0.260) 0.963 24.863 ( -1.207 -0.000 4.411) 4.573 26.323 ( 9.291 0.000 -4.018) 10.123 ======================= Grid point 210 (69/102) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 0.000 -27.046) 27.046 0.859 ( 0.000 0.000 -27.046) 27.046 2.252 ( 0.000 0.000 -69.660) 69.660 2.706 ( 0.000 0.000 -10.457) 10.457 3.045 ( -0.000 -0.000 0.470) 0.470 3.045 ( -0.000 -0.000 0.470) 0.470 4.266 ( -0.000 -0.000 17.667) 17.667 4.266 ( -0.000 -0.000 17.667) 17.667 4.362 ( 0.000 0.000 -23.134) 23.134 5.287 ( 0.000 0.000 -3.928) 3.928 5.491 ( 0.000 0.000 -8.108) 8.108 5.491 ( 0.000 0.000 -8.108) 8.108 6.533 ( -0.000 -0.000 16.481) 16.481 6.597 ( 0.000 0.000 -3.475) 3.475 7.133 ( 0.000 0.000 -5.506) 5.506 7.133 ( 0.000 0.000 -5.506) 5.506 8.425 ( 0.000 0.000 -3.535) 3.535 8.425 ( 0.000 0.000 -3.535) 3.535 8.740 ( -0.000 -0.000 27.540) 27.540 9.240 ( -0.000 -0.000 6.429) 6.429 9.919 ( 0.000 0.000 -6.885) 6.885 9.919 ( 0.000 0.000 -6.885) 6.885 11.547 ( 0.000 0.000 -0.725) 0.725 12.057 ( -0.000 -0.000 6.382) 6.382 12.057 ( -0.000 -0.000 6.382) 6.382 12.962 ( -0.000 -0.000 23.632) 23.632 14.576 ( 0.000 0.000 -19.899) 19.899 14.705 ( 0.000 0.000 -0.224) 0.224 22.184 ( 0.000 0.000 -1.819) 1.819 22.184 ( 0.000 0.000 -1.819) 1.819 22.740 ( -0.000 -0.000 1.032) 1.032 22.740 ( -0.000 -0.000 1.032) 1.032 24.009 ( -0.000 -0.000 9.314) 9.314 24.808 ( 0.000 0.000 -2.309) 2.309 24.935 ( -0.000 -0.000 5.211) 5.211 26.348 ( 0.000 0.000 -3.251) 3.251 ======================= Grid point 233 (70/102) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 10.212 10.212 8.433) 16.723 3.348 ( 1.369 1.369 4.104) 4.537 3.527 ( 4.598 4.598 3.593) 7.430 3.550 ( 15.331 15.331 1.858) 21.760 3.910 ( 12.401 12.401 -9.795) 20.088 3.916 ( -0.866 -0.866 -5.628) 5.760 4.195 ( 5.200 5.200 -1.248) 7.459 4.505 ( -15.838 -15.838 1.511) 22.449 5.012 ( 7.762 7.762 36.032) 37.667 5.126 ( -2.310 -2.310 9.183) 9.746 5.179 ( -6.044 -6.044 0.269) 8.551 5.288 ( -1.874 -1.874 13.637) 13.892 6.365 ( 5.188 5.188 -15.454) 17.107 6.672 ( -4.245 -4.245 -18.171) 19.138 7.288 ( 4.424 4.424 -3.287) 7.067 7.328 ( 2.332 2.332 6.152) 6.980 7.526 ( -1.743 -1.743 4.970) 5.547 7.778 ( -10.150 -10.150 -1.244) 14.409 8.197 ( 0.923 0.923 2.657) 2.960 8.465 ( -6.923 -6.923 -1.251) 9.871 10.411 ( 5.051 5.051 1.299) 7.260 10.687 ( -2.609 -2.609 -0.669) 3.750 11.438 ( 3.074 3.074 -7.955) 9.066 11.679 ( -4.009 -4.009 -3.244) 6.532 12.102 ( 3.895 3.895 0.452) 5.527 12.285 ( -2.548 -2.548 -5.034) 6.190 14.193 ( 2.390 2.390 8.631) 9.269 14.498 ( -7.088 -7.088 5.607) 11.486 22.091 ( -0.432 -0.432 0.597) 0.854 22.189 ( -4.143 -4.143 0.045) 5.859 23.125 ( 6.477 6.477 -7.916) 12.106 23.295 ( 0.933 0.933 -2.814) 3.108 24.325 ( 14.539 14.539 2.505) 20.714 24.785 ( -0.999 -0.999 -1.911) 2.377 24.803 ( 0.555 0.555 -3.249) 3.342 25.291 ( -16.071 -16.071 5.978) 23.501 ======================= Grid point 234 (71/102) ======================= q-point: (-0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 9.724 0.000 -0.000) 9.724 3.309 ( -8.255 0.000 0.000) 8.255 3.661 ( 32.854 0.000 0.000) 32.854 3.666 ( 7.381 -0.000 -0.000) 7.381 3.827 ( -2.587 0.000 0.000) 2.587 4.085 ( 3.368 0.000 -0.000) 3.368 4.134 ( 0.320 -0.000 0.000) 0.320 4.360 ( -13.311 -0.000 0.000) 13.311 5.137 ( -4.531 0.000 -0.000) 4.531 5.144 ( -2.382 0.000 0.000) 2.382 5.404 ( 3.968 0.000 -0.000) 3.968 5.478 ( 0.374 0.000 0.000) 0.374 6.303 ( 0.571 0.000 0.000) 0.571 6.363 ( -3.048 0.000 -0.000) 3.048 7.289 ( 11.168 0.000 0.000) 11.168 7.464 ( 1.366 0.000 -0.000) 1.366 7.528 ( -2.532 0.000 0.000) 2.532 7.666 ( -14.443 -0.000 -0.000) 14.443 8.230 ( 4.711 0.000 0.000) 4.711 8.402 ( -7.622 0.000 -0.000) 7.622 10.455 ( 7.558 0.000 0.000) 7.558 10.665 ( -7.213 0.000 0.000) 7.213 11.390 ( 8.638 0.000 0.000) 8.638 11.628 ( -8.064 0.000 0.000) 8.064 12.137 ( 4.351 -0.000 0.000) 4.351 12.228 ( -1.850 0.000 0.000) 1.850 14.289 ( 4.342 0.000 0.000) 4.342 14.478 ( -9.126 0.000 0.000) 9.126 22.097 ( -0.091 0.000 0.000) 0.091 22.156 ( -4.595 0.000 0.000) 4.595 23.108 ( 8.472 -0.000 0.000) 8.472 23.277 ( -2.870 0.000 0.000) 2.870 24.497 ( 25.466 -0.000 0.000) 25.466 24.725 ( 1.548 0.000 0.000) 1.548 24.780 ( -1.979 0.000 0.000) 1.979 25.217 ( -24.689 0.000 0.000) 24.689 ======================= Grid point 240 (72/102) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 12.235 0.000 0.000) 12.235 1.682 ( 27.679 0.000 0.000) 27.679 3.007 ( 14.618 0.000 0.000) 14.618 3.023 ( 40.663 0.000 0.000) 40.663 3.673 ( 17.961 0.000 0.000) 17.961 3.701 ( -4.004 -0.000 -0.000) 4.004 3.837 ( 20.776 0.000 0.000) 20.776 4.431 ( -21.868 -0.000 -0.000) 21.868 4.833 ( 2.508 0.000 0.000) 2.508 5.024 ( -3.165 -0.000 -0.000) 3.165 5.183 ( -2.703 -0.000 -0.000) 2.703 5.648 ( -23.810 -0.000 -0.000) 23.810 6.870 ( 10.471 0.000 0.000) 10.471 6.902 ( 4.335 0.000 0.000) 4.335 6.914 ( 1.691 0.000 0.000) 1.691 7.096 ( 2.370 0.000 0.000) 2.370 7.228 ( -1.438 -0.000 -0.000) 1.438 7.901 ( -12.761 -0.000 -0.000) 12.761 8.220 ( -4.674 -0.000 -0.000) 4.674 8.923 ( -13.922 -0.000 -0.000) 13.922 9.866 ( 1.788 0.000 0.000) 1.788 11.166 ( -22.972 -0.000 -0.000) 22.972 11.693 ( 10.874 0.000 0.000) 10.874 12.039 ( 13.394 0.000 0.000) 13.394 12.241 ( 2.317 0.000 0.000) 2.317 13.044 ( 5.753 0.000 0.000) 5.753 13.554 ( -7.944 -0.000 -0.000) 7.944 13.686 ( -3.365 -0.000 -0.000) 3.365 22.123 ( -0.831 -0.000 -0.000) 0.831 22.522 ( -6.921 -0.000 -0.000) 6.921 22.819 ( 2.130 0.000 0.000) 2.130 23.862 ( -13.021 -0.000 -0.000) 13.021 24.214 ( 16.188 0.000 0.000) 16.188 24.753 ( 0.309 0.000 0.000) 0.309 24.899 ( -0.749 -0.000 -0.000) 0.749 25.252 ( -3.705 -0.000 -0.000) 3.705 ======================= Grid point 246 (73/102) ======================= q-point: (-0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( -3.724 -3.724 -2.814) 5.971 3.160 ( 3.724 3.724 -2.814) 5.971 3.747 ( -3.873 -3.873 -1.201) 5.608 3.747 ( 3.873 3.873 -1.201) 5.608 4.062 ( -6.118 -6.118 0.029) 8.652 4.062 ( 6.118 6.118 0.029) 8.652 4.193 ( -1.380 -1.380 5.605) 5.935 4.193 ( 1.380 1.380 5.605) 5.935 5.075 ( -4.334 -4.334 -9.647) 11.429 5.075 ( 4.334 4.334 -9.647) 11.429 5.199 ( -0.553 -0.553 -21.994) 22.008 5.199 ( 0.553 0.553 -21.994) 22.008 6.523 ( -0.629 -0.629 19.181) 19.201 6.523 ( 0.629 0.629 19.181) 19.201 7.392 ( -7.502 -7.502 -5.659) 12.025 7.392 ( 7.502 7.502 -5.659) 12.025 7.532 ( -3.018 -3.018 1.284) 4.456 7.532 ( 3.018 3.018 1.284) 4.456 8.290 ( -3.741 -3.741 -1.772) 5.580 8.290 ( 3.741 3.741 -1.772) 5.580 10.562 ( -5.512 -5.512 0.071) 7.796 10.562 ( 5.512 5.512 0.071) 7.796 11.555 ( -7.193 -7.193 5.346) 11.491 11.555 ( 7.193 7.193 5.346) 11.491 12.203 ( -2.042 -2.042 1.819) 3.413 12.203 ( 2.042 2.042 1.819) 3.413 14.313 ( -3.230 -3.230 -6.835) 8.221 14.313 ( 3.230 3.230 -6.835) 8.221 22.108 ( -0.883 -0.883 -0.310) 1.287 22.108 ( 0.883 0.883 -0.310) 1.287 23.260 ( -5.515 -5.515 6.147) 9.930 23.260 ( 5.515 5.515 6.147) 9.930 24.704 ( -2.078 -2.078 -4.726) 5.565 24.704 ( 2.078 2.078 -4.726) 5.565 24.886 ( -16.288 -16.288 2.063) 23.126 24.886 ( 16.288 16.288 2.063) 23.126 ======================= Grid point 251 (74/102) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 8.481 -42.142 0.000) 42.987 2.078 ( 24.350 -4.605 0.000) 24.782 3.263 ( 15.278 -7.045 0.000) 16.825 3.336 ( 2.449 4.023 -0.000) 4.710 3.798 ( 24.872 0.853 0.000) 24.886 3.909 ( -0.125 0.432 -0.000) 0.450 4.039 ( -8.351 -6.553 -0.000) 10.615 4.196 ( 11.077 -2.574 0.000) 11.372 4.861 ( 3.019 1.845 0.000) 3.538 4.879 ( -6.040 12.726 -0.000) 14.086 5.118 ( -3.853 2.743 -0.000) 4.729 5.326 ( -23.705 -2.251 -0.000) 23.811 6.933 ( 2.253 -0.227 0.000) 2.264 7.004 ( 8.337 -0.858 0.000) 8.381 7.057 ( 8.999 -4.417 0.000) 10.024 7.109 ( 2.797 3.129 -0.000) 4.197 7.220 ( 0.443 -1.031 0.000) 1.123 7.737 ( -9.476 0.397 -0.000) 9.484 8.122 ( -5.056 3.871 -0.000) 6.368 8.693 ( -15.651 3.499 -0.000) 16.037 9.932 ( 1.811 -5.845 0.000) 6.119 10.846 ( -21.802 1.222 -0.000) 21.836 11.837 ( 11.997 1.907 0.000) 12.148 12.237 ( 2.646 5.248 -0.000) 5.877 12.257 ( 12.976 -5.112 0.000) 13.947 13.113 ( -0.072 -2.598 0.000) 2.599 13.432 ( -5.439 2.936 -0.000) 6.181 13.624 ( -3.838 1.546 -0.000) 4.138 22.104 ( -0.527 0.904 -0.000) 1.046 22.373 ( -6.001 6.160 -0.000) 8.600 22.940 ( 1.416 -11.659 0.000) 11.745 23.702 ( -15.625 -4.665 -0.000) 16.307 24.430 ( 16.199 1.465 0.000) 16.265 24.768 ( 0.763 -1.281 0.000) 1.491 24.871 ( 0.261 3.329 -0.000) 3.339 25.166 ( -3.541 4.666 -0.000) 5.857 ======================= Grid point 252 (75/102) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 10.098 -0.000 12.541) 16.101 2.221 ( 22.071 -0.000 20.791) 30.321 3.200 ( 13.785 0.000 -1.667) 13.885 3.503 ( 3.325 -0.000 16.556) 16.887 3.787 ( 17.033 0.000 -0.774) 17.050 3.905 ( 16.584 0.000 -1.931) 16.696 4.068 ( -15.314 -0.000 10.301) 18.456 4.174 ( 8.305 0.000 -0.674) 8.333 4.574 ( 1.240 0.000 -22.469) 22.503 5.144 ( -1.599 -0.000 4.218) 4.511 5.168 ( -22.534 0.000 -14.172) 26.620 5.243 ( -2.030 -0.000 14.278) 14.421 6.885 ( 2.235 0.000 -6.252) 6.639 6.974 ( 8.019 0.000 -3.743) 8.850 7.013 ( 7.453 0.000 1.769) 7.661 7.224 ( 6.481 -0.000 9.071) 11.149 7.305 ( -4.995 -0.000 9.658) 10.873 7.768 ( -9.621 -0.000 3.525) 10.246 8.157 ( -5.939 -0.000 0.770) 5.988 8.713 ( -14.835 -0.000 -0.524) 14.845 9.913 ( 1.691 -0.000 2.902) 3.359 10.852 ( -19.697 -0.000 -0.214) 19.698 11.805 ( 10.181 0.000 -7.493) 12.641 12.091 ( 11.595 0.000 -11.289) 16.183 12.243 ( 2.428 0.000 -3.964) 4.649 13.021 ( -6.910 0.000 -17.003) 18.354 13.412 ( 4.566 -0.000 13.383) 14.140 13.942 ( -6.628 -0.000 24.588) 25.465 22.120 ( -0.889 -0.000 1.108) 1.421 22.429 ( -7.215 -0.000 0.811) 7.260 22.842 ( 2.495 0.000 -1.136) 2.741 23.597 ( -9.969 0.000 -9.062) 13.472 24.316 ( 12.961 0.000 -13.993) 19.074 24.696 ( -0.688 0.000 -2.597) 2.686 24.906 ( -2.451 -0.000 -0.242) 2.463 25.378 ( -0.683 -0.000 17.535) 17.548 ======================= Grid point 261 (76/102) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 6.075 -48.671 0.000) 49.049 2.461 ( 19.376 -6.567 0.000) 20.459 3.164 ( -8.556 9.583 -0.000) 12.847 3.413 ( -34.113 2.662 -0.000) 34.217 3.657 ( 8.611 -13.742 0.000) 16.217 4.162 ( 23.749 1.362 0.000) 23.788 4.270 ( 11.288 -6.945 0.000) 13.253 4.490 ( 15.935 -6.381 0.000) 17.165 4.533 ( -13.576 15.137 -0.000) 20.333 4.858 ( 3.652 4.858 -0.000) 6.078 5.001 ( -5.252 5.354 -0.000) 7.500 5.058 ( -15.117 3.194 -0.000) 15.451 6.977 ( 1.815 -2.032 0.000) 2.724 7.079 ( -0.930 0.729 -0.000) 1.182 7.111 ( 5.904 2.571 0.000) 6.440 7.181 ( 3.665 0.770 0.000) 3.745 7.317 ( 10.127 -2.787 0.000) 10.504 7.647 ( -2.952 1.750 -0.000) 3.432 8.020 ( -2.390 0.007 -0.000) 2.390 8.409 ( -15.813 5.646 -0.000) 16.791 10.073 ( 1.799 -10.927 0.000) 11.074 10.542 ( -19.120 1.690 -0.000) 19.195 11.970 ( 11.920 2.818 0.000) 12.248 12.179 ( 2.953 8.621 -0.000) 9.112 12.527 ( 11.366 -9.255 0.000) 14.657 13.046 ( -10.107 2.763 -0.000) 10.478 13.387 ( 2.296 -0.136 0.000) 2.300 13.542 ( -3.790 2.556 -0.000) 4.572 22.096 ( 0.644 0.040 0.000) 0.645 22.223 ( -4.100 4.952 -0.000) 6.429 23.143 ( -0.351 -15.911 0.000) 15.915 23.543 ( -17.440 -4.932 -0.000) 18.124 24.611 ( 13.943 2.774 0.000) 14.216 24.816 ( 2.599 -2.561 0.000) 3.649 24.817 ( 1.083 5.932 -0.000) 6.030 25.040 ( -2.726 6.895 -0.000) 7.414 ======================= Grid point 262 (77/102) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 7.681 -36.624 8.263) 38.323 2.526 ( 18.008 -3.347 16.452) 24.620 3.312 ( -18.520 5.016 2.815) 19.392 3.462 ( 9.366 -9.562 -1.368) 13.454 3.606 ( -24.357 3.528 18.362) 30.706 4.152 ( 15.160 -2.557 -3.514) 15.770 4.159 ( 17.638 -2.476 -1.942) 17.916 4.416 ( 13.468 0.003 -1.849) 13.595 4.583 ( 2.588 1.790 -16.665) 16.960 4.795 ( -17.328 6.573 -5.659) 19.377 5.104 ( -1.983 2.558 4.330) 5.406 5.222 ( -3.915 0.501 13.240) 13.816 6.919 ( 1.895 -1.098 -5.005) 5.463 7.064 ( 3.744 1.190 -4.424) 5.917 7.091 ( 2.262 -0.703 -0.793) 2.498 7.310 ( 8.044 1.701 9.846) 12.828 7.317 ( 5.629 -1.196 4.316) 7.193 7.683 ( -2.906 -1.631 5.322) 6.280 8.045 ( -6.500 3.017 -0.676) 7.198 8.483 ( -14.912 3.206 1.618) 15.338 9.975 ( 1.536 -5.643 2.485) 6.354 10.575 ( -19.049 0.684 1.957) 19.162 11.940 ( 11.020 2.065 -9.025) 14.393 12.231 ( 4.493 2.895 -6.557) 8.460 12.288 ( 7.266 -3.721 -10.791) 13.531 12.913 ( -7.536 1.404 -17.549) 19.150 13.486 ( 5.050 -1.222 16.177) 16.990 13.833 ( -6.308 2.573 23.260) 24.237 22.105 ( -0.399 0.316 0.957) 1.084 22.295 ( -5.942 4.405 0.745) 7.434 22.949 ( 1.416 -9.525 -1.536) 9.751 23.461 ( -13.742 -3.929 -3.328) 14.675 24.479 ( 11.839 2.101 -19.750) 23.122 24.702 ( 0.486 -1.220 -1.874) 2.289 24.863 ( -2.558 1.210 -0.767) 2.932 25.350 ( 2.302 4.985 19.201) 19.971 ======================= Grid point 263 (78/102) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 7.487 -0.000 17.163) 18.724 2.842 ( 14.278 -0.000 25.156) 28.926 3.279 ( 8.584 0.000 -9.842) 13.059 3.416 ( -29.361 -0.000 3.516) 29.570 3.970 ( -15.908 -0.000 8.999) 18.277 4.037 ( 11.291 0.000 -5.962) 12.769 4.209 ( 13.136 -0.000 19.137) 23.212 4.284 ( 3.182 0.000 -17.652) 17.937 4.415 ( 7.727 0.000 1.981) 7.977 4.787 ( -2.507 -0.000 -0.781) 2.626 5.202 ( -0.091 -0.000 5.812) 5.813 5.408 ( -1.306 -0.000 8.839) 8.935 6.784 ( 2.703 0.000 -11.371) 11.688 7.003 ( 5.297 0.000 -3.771) 6.502 7.057 ( -2.315 0.000 -3.944) 4.574 7.368 ( 0.558 -0.000 3.408) 3.454 7.503 ( 8.915 -0.000 10.924) 14.100 7.780 ( -1.099 -0.000 8.826) 8.894 8.060 ( -8.710 -0.000 -0.331) 8.716 8.544 ( -11.121 -0.000 3.197) 11.572 9.997 ( 1.213 -0.000 5.029) 5.173 10.621 ( -17.976 -0.000 3.317) 18.280 11.718 ( 9.877 0.000 -18.742) 21.185 12.096 ( 6.823 0.000 -5.268) 8.620 12.186 ( 2.130 0.000 -7.285) 7.590 12.637 ( -5.314 0.000 -17.646) 18.429 13.767 ( 5.385 -0.000 18.792) 19.549 14.222 ( -6.285 -0.000 22.978) 23.822 22.131 ( -0.878 -0.000 1.895) 2.089 22.354 ( -7.156 -0.000 2.288) 7.513 22.851 ( 2.450 0.000 -2.253) 3.329 23.334 ( -8.201 0.000 -8.771) 12.008 24.183 ( 6.535 0.000 -17.870) 19.027 24.687 ( 1.344 0.000 -0.016) 1.344 24.855 ( -2.445 -0.000 -1.078) 2.673 25.666 ( 2.965 -0.000 15.951) 16.224 ======================= Grid point 270 (79/102) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -2.492 -21.761 0.000) 21.904 2.632 ( -21.761 -2.492 0.000) 21.904 2.939 ( -6.087 -6.087 0.000) 8.608 2.939 ( -6.087 -6.087 0.000) 8.608 4.063 ( 15.495 -13.851 0.000) 20.783 4.063 ( -13.851 15.495 -0.000) 20.783 4.402 ( 4.064 3.788 0.000) 5.556 4.402 ( 3.788 4.064 0.000) 5.556 4.782 ( 9.854 -9.082 0.000) 13.401 4.782 ( -9.082 9.854 -0.000) 13.401 4.878 ( 4.162 2.863 0.000) 5.052 4.878 ( 2.863 4.162 0.000) 5.052 7.033 ( 0.943 -2.048 0.000) 2.254 7.033 ( -2.048 0.943 0.000) 2.254 7.161 ( 3.221 2.755 0.000) 4.238 7.161 ( 2.755 3.221 0.000) 4.238 7.519 ( 7.802 -0.025 0.000) 7.802 7.519 ( -0.025 7.802 0.000) 7.802 8.132 ( 0.037 -7.934 0.000) 7.934 8.132 ( -7.934 0.037 0.000) 7.934 10.279 ( -1.427 -12.154 0.000) 12.237 10.279 ( -12.154 -1.427 0.000) 12.237 12.086 ( 7.836 5.979 0.000) 9.857 12.086 ( 5.979 7.836 0.000) 9.857 12.810 ( 1.373 -4.589 0.000) 4.790 12.810 ( -4.589 1.373 0.000) 4.790 13.455 ( 0.982 -0.710 0.000) 1.211 13.455 ( -0.710 0.982 0.000) 1.211 22.129 ( 2.551 -1.819 0.000) 3.133 22.129 ( -1.819 2.551 -0.000) 3.133 23.354 ( -7.732 -12.747 0.000) 14.909 23.354 ( -12.747 -7.732 0.000) 14.909 24.736 ( 6.559 5.051 0.000) 8.279 24.736 ( 5.051 6.559 0.000) 8.279 24.912 ( 2.026 1.354 0.000) 2.437 24.912 ( 1.354 2.026 0.000) 2.437 ======================= Grid point 272 (80/102) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 5.553 -45.734 4.602) 46.299 2.745 ( -19.059 0.118 11.936) 22.488 2.813 ( -14.245 0.979 -0.069) 14.279 3.329 ( -5.414 6.867 25.215) 26.688 3.809 ( 12.001 -16.319 -3.058) 20.486 4.218 ( -18.195 9.732 -7.189) 21.850 4.349 ( 7.732 -1.508 -8.092) 11.293 4.370 ( 9.056 1.930 -4.021) 10.095 4.624 ( -0.912 2.122 -17.160) 17.315 4.763 ( 12.820 -1.295 6.971) 14.650 5.026 ( -1.758 4.531 7.645) 9.059 5.136 ( -0.258 5.553 12.754) 13.913 6.968 ( 1.509 -2.539 -4.026) 4.993 7.034 ( -2.726 1.406 -2.441) 3.920 7.128 ( 3.133 1.505 -3.530) 4.954 7.330 ( 4.485 5.279 7.542) 10.241 7.486 ( 10.212 -2.596 2.144) 10.753 7.692 ( 1.738 4.609 7.048) 8.599 7.964 ( -3.692 -5.216 -3.440) 7.258 8.241 ( -11.288 3.478 5.147) 12.885 10.106 ( 0.999 -10.179 1.382) 10.321 10.326 ( -15.317 0.276 3.236) 15.657 12.039 ( 9.186 4.540 -10.996) 15.030 12.209 ( 3.509 5.659 -1.754) 6.886 12.459 ( 3.277 -6.624 -17.804) 19.277 12.787 ( -4.904 2.946 -14.282) 15.385 13.585 ( 4.830 -3.119 19.042) 19.891 13.707 ( -5.001 4.105 20.709) 21.696 22.113 ( 1.080 -1.144 0.730) 1.735 22.174 ( -3.525 3.179 0.637) 4.789 23.103 ( -1.394 -11.095 -3.857) 11.829 23.329 ( -14.309 -5.778 1.230) 15.481 24.569 ( 7.219 4.099 -23.776) 25.184 24.744 ( 2.114 -1.888 -0.662) 2.911 24.806 ( -2.075 2.189 -0.568) 3.069 25.319 ( 5.356 6.750 20.561) 22.294 ======================= Grid point 273 (81/102) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 5.872 -30.589 13.375) 33.897 2.877 ( -37.917 2.359 5.399) 38.372 3.029 ( 5.562 -1.048 23.378) 24.054 3.439 ( 3.958 -7.568 -12.200) 14.892 3.791 ( -6.966 1.028 2.268) 7.398 4.169 ( 4.380 1.449 -4.514) 6.455 4.280 ( -3.253 -1.619 12.519) 13.036 4.334 ( 1.509 0.358 -11.445) 11.549 4.404 ( 2.408 2.229 -4.042) 5.206 4.899 ( 14.480 0.601 9.199) 17.165 5.193 ( 0.990 2.024 7.727) 8.049 5.369 ( -1.151 3.404 8.533) 9.259 6.826 ( 1.560 -1.889 -10.574) 10.854 6.987 ( -4.014 1.431 -6.604) 7.859 7.079 ( 3.733 -0.365 -4.089) 5.549 7.411 ( 2.651 -0.544 0.107) 2.708 7.597 ( 8.650 2.040 9.140) 12.748 7.849 ( 6.431 -3.326 11.270) 13.395 7.910 ( -8.697 3.689 -0.402) 9.455 8.381 ( -9.121 2.764 6.921) 11.779 10.046 ( 0.954 -4.863 4.261) 6.535 10.385 ( -15.632 -0.246 4.281) 16.209 11.836 ( 7.926 1.391 -19.060) 20.689 12.181 ( 3.442 -0.690 -6.992) 7.824 12.204 ( 2.267 0.712 -8.267) 8.601 12.569 ( -3.092 1.131 -15.467) 15.813 13.853 ( 5.301 -1.554 18.506) 19.312 14.120 ( -4.915 3.084 23.906) 24.600 22.122 ( -0.184 -0.345 1.736) 1.780 22.237 ( -5.413 2.891 1.896) 6.423 22.929 ( 1.100 -6.010 -3.282) 6.935 23.234 ( -11.202 -4.801 -3.863) 12.785 24.252 ( 4.630 1.347 -20.401) 20.963 24.721 ( 2.740 -0.560 -0.363) 2.820 24.817 ( -1.848 1.134 -0.854) 2.330 25.688 ( 5.031 4.409 16.438) 17.747 ======================= Grid point 274 (82/102) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 5.115 -0.000 17.088) 17.837 3.011 ( -36.914 -0.000 9.238) 38.053 3.117 ( 2.562 0.000 -19.187) 19.357 3.404 ( 8.093 -0.000 19.027) 20.677 3.635 ( -17.584 0.000 -11.834) 21.196 4.046 ( 3.880 0.000 -10.313) 11.019 4.099 ( 4.839 0.000 -10.426) 11.494 4.396 ( -3.690 -0.000 2.330) 4.365 4.802 ( 5.347 -0.000 32.075) 32.518 5.073 ( 13.177 -0.000 16.022) 20.744 5.315 ( 2.140 -0.000 6.128) 6.491 5.487 ( -0.977 -0.000 3.758) 3.883 6.593 ( 1.472 0.000 -16.907) 16.971 6.847 ( -5.680 0.000 -13.209) 14.378 7.004 ( 3.701 0.000 -4.313) 5.683 7.409 ( 0.909 0.000 0.375) 0.983 7.671 ( -2.865 -0.000 -0.812) 2.978 7.999 ( 7.709 -0.000 11.069) 13.489 8.028 ( 1.248 -0.000 9.483) 9.565 8.514 ( -5.891 -0.000 7.267) 9.355 10.096 ( 0.608 -0.000 5.792) 5.824 10.450 ( -15.366 -0.000 4.299) 15.956 11.575 ( 7.835 0.000 -14.064) 16.099 12.069 ( 1.662 0.000 -6.488) 6.697 12.082 ( 1.410 0.000 -9.012) 9.122 12.369 ( -1.065 0.000 -10.444) 10.498 14.099 ( 5.216 -0.000 14.012) 14.952 14.490 ( -3.215 -0.000 19.958) 20.216 22.153 ( -0.729 -0.000 2.304) 2.416 22.303 ( -6.967 -0.000 3.524) 7.808 22.839 ( 1.928 0.000 -3.127) 3.673 23.099 ( -6.917 0.000 -7.946) 10.535 23.994 ( 2.409 0.000 -13.600) 13.811 24.714 ( 2.508 0.000 -0.068) 2.509 24.814 ( -1.694 -0.000 -0.468) 1.758 25.937 ( 5.403 -0.000 11.321) 12.544 ======================= Grid point 282 (83/102) ======================= q-point: ( 0.60 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -18.086 -18.086 9.076) 27.140 2.280 ( -19.900 -19.900 8.890) 29.514 3.102 ( 1.013 1.013 22.822) 22.866 3.513 ( -0.056 -0.056 -9.158) 9.159 3.773 ( -8.732 -8.732 -16.459) 20.576 4.095 ( 2.168 2.168 23.337) 23.538 4.312 ( 3.457 3.457 -5.023) 7.010 4.333 ( 0.072 0.072 -11.158) 11.159 4.421 ( 0.575 0.575 -1.269) 1.507 5.024 ( 6.733 6.733 8.270) 12.612 5.182 ( 2.220 2.220 9.835) 10.324 5.318 ( 2.684 2.684 8.223) 9.057 6.863 ( -1.667 -1.667 -10.638) 10.896 6.934 ( -0.499 -0.499 -6.914) 6.950 7.109 ( 2.198 2.198 -3.826) 4.930 7.429 ( 1.642 1.642 -0.091) 2.324 7.721 ( 6.488 6.488 12.401) 15.426 7.742 ( -3.084 -3.084 -4.724) 6.429 7.952 ( 1.453 1.453 10.067) 10.274 8.272 ( -2.079 -2.079 9.100) 9.564 10.123 ( -3.290 -3.290 2.485) 5.275 10.242 ( -7.002 -7.002 5.948) 11.552 11.883 ( 4.359 4.359 -19.183) 20.149 12.194 ( 2.452 2.452 -6.035) 6.960 12.233 ( -0.813 -0.813 -10.865) 10.926 12.535 ( 0.307 0.307 -13.867) 13.874 13.925 ( 0.356 0.356 16.714) 16.722 14.039 ( 1.073 1.073 25.991) 26.035 22.149 ( -0.642 -0.642 2.128) 2.313 22.150 ( -0.395 -0.395 1.122) 1.254 22.994 ( -3.019 -3.019 -5.387) 6.873 23.178 ( -9.588 -9.588 -0.396) 13.565 24.274 ( 2.673 2.673 -20.872) 21.211 24.761 ( 0.997 0.997 -0.828) 1.635 24.781 ( 0.222 0.222 -0.608) 0.684 25.692 ( 5.912 5.912 16.573) 18.563 ======================= Grid point 284 (84/102) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 3.742 -26.328 14.556) 30.316 2.458 ( -38.605 2.055 11.554) 40.349 3.188 ( 1.401 -5.668 -20.283) 21.107 3.398 ( -13.611 -2.296 -20.587) 24.786 3.523 ( 3.758 0.765 27.281) 27.549 4.074 ( -0.894 -1.751 -16.453) 16.570 4.190 ( 6.545 -0.224 -6.871) 9.492 4.321 ( -3.428 2.719 -0.536) 4.408 4.852 ( 2.670 0.807 39.096) 39.195 5.213 ( 9.312 3.413 8.457) 13.034 5.344 ( 2.531 0.280 8.083) 8.475 5.455 ( -0.346 2.663 4.111) 4.910 6.611 ( -0.886 -1.790 -17.004) 17.120 6.786 ( -1.966 0.647 -12.922) 13.086 7.057 ( 2.906 0.097 -5.202) 5.959 7.421 ( 0.614 0.078 -1.234) 1.381 7.608 ( -6.693 -3.009 -4.333) 8.522 8.028 ( 6.631 6.356 13.195) 16.078 8.138 ( 7.271 -0.760 11.359) 13.508 8.425 ( -4.386 1.394 9.849) 10.872 10.128 ( 0.224 -3.259 4.906) 5.894 10.277 ( -10.770 -1.974 5.275) 12.153 11.650 ( 3.947 1.111 -13.740) 14.338 12.084 ( 0.803 0.290 -8.745) 8.787 12.093 ( 1.167 0.854 -9.278) 9.390 12.362 ( 0.174 0.242 -8.836) 8.841 14.162 ( 2.899 -0.200 13.992) 14.291 14.444 ( -0.344 2.218 21.533) 21.649 22.153 ( 0.119 -1.153 2.131) 2.426 22.206 ( -4.463 1.288 2.981) 5.519 22.877 ( 0.561 -1.751 -4.723) 5.069 23.037 ( -8.113 -5.812 -4.048) 10.770 24.017 ( 1.693 0.812 -14.953) 15.070 24.752 ( 2.324 -0.400 -0.248) 2.371 24.787 ( -1.054 1.181 -0.433) 1.642 25.984 ( 5.578 3.984 11.972) 13.796 ======================= Grid point 285 (85/102) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 2.492 -0.000 9.669) 9.985 2.639 ( -37.984 -0.000 7.577) 38.733 2.838 ( 1.150 0.000 -16.655) 16.695 3.080 ( -13.864 0.000 -16.308) 21.405 3.801 ( -4.299 0.000 -16.093) 16.657 3.881 ( 9.853 -0.000 12.279) 15.744 4.079 ( 5.404 0.000 -6.285) 8.289 4.422 ( -9.885 -0.000 15.972) 18.784 5.225 ( 10.672 -0.000 7.241) 12.897 5.428 ( 2.413 -0.000 3.712) 4.427 5.448 ( 0.455 -0.000 7.490) 7.504 5.512 ( -0.691 -0.000 1.315) 1.486 6.415 ( 3.266 0.000 0.113) 3.268 6.556 ( -2.470 0.000 -14.892) 15.095 6.963 ( 1.810 0.000 -6.045) 6.310 7.412 ( -0.476 0.000 -0.235) 0.531 7.522 ( -7.518 0.000 -4.092) 8.559 8.268 ( 8.377 -0.000 7.912) 11.523 8.280 ( 6.714 -0.000 10.711) 12.642 8.588 ( -2.537 -0.000 9.519) 9.852 10.182 ( 0.171 -0.000 4.104) 4.108 10.335 ( -10.642 -0.000 3.718) 11.273 11.507 ( 4.487 0.000 -5.809) 7.340 11.959 ( -0.369 0.000 -7.295) 7.304 11.959 ( 0.505 0.000 -7.851) 7.868 12.274 ( 0.737 0.000 -2.544) 2.649 14.348 ( 4.696 -0.000 9.512) 10.608 14.742 ( 0.322 -0.000 14.237) 14.241 22.181 ( -0.429 -0.000 2.262) 2.303 22.269 ( -6.364 -0.000 3.786) 7.405 22.808 ( 1.100 0.000 -3.450) 3.621 22.906 ( -4.727 0.000 -6.172) 7.774 23.842 ( 0.250 0.000 -7.989) 7.993 24.747 ( 1.940 0.000 0.087) 1.942 24.797 ( -0.821 -0.000 0.681) 1.067 26.164 ( 6.317 -0.000 7.221) 9.594 ======================= Grid point 294 (86/102) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -11.049 -11.049 7.790) 17.460 2.191 ( -12.447 -12.447 8.087) 19.371 2.882 ( -1.648 -1.648 -16.291) 16.457 2.945 ( -6.079 -6.079 -15.697) 17.897 3.771 ( -3.086 -3.086 -17.952) 18.475 3.955 ( 6.767 6.767 12.589) 15.814 4.138 ( 1.717 1.717 -7.516) 7.899 4.329 ( -6.267 -6.267 15.787) 18.104 5.320 ( 2.540 2.540 7.810) 8.597 5.397 ( 4.653 4.653 4.622) 8.041 5.491 ( 0.808 0.808 0.449) 1.228 5.492 ( -1.369 -1.369 4.051) 4.490 6.446 ( 1.065 1.065 7.061) 7.220 6.531 ( -0.076 -0.076 -18.066) 18.066 6.985 ( 0.313 0.313 -6.878) 6.892 7.397 ( 0.160 0.160 -2.118) 2.130 7.472 ( -4.451 -4.451 -2.469) 6.761 8.307 ( 5.622 5.622 9.904) 12.700 8.360 ( 2.694 2.694 7.684) 8.576 8.558 ( -0.705 -0.705 11.710) 11.753 10.194 ( -0.752 -0.752 3.681) 3.832 10.249 ( -4.580 -4.580 4.157) 7.697 11.537 ( 1.389 1.389 -5.559) 5.896 11.959 ( 0.243 0.243 -7.620) 7.628 11.960 ( 0.488 0.488 -8.396) 8.424 12.280 ( 0.177 0.177 -2.403) 2.416 14.383 ( 1.832 1.832 10.509) 10.823 14.741 ( 1.384 1.384 14.760) 14.889 22.183 ( -0.338 -0.338 1.790) 1.853 22.211 ( -2.288 -2.288 3.643) 4.872 22.808 ( 0.884 0.884 -4.848) 5.007 22.888 ( -4.815 -4.815 -3.783) 7.789 23.844 ( 0.155 0.155 -8.663) 8.665 24.765 ( 0.090 0.090 -0.335) 0.359 24.788 ( 0.635 0.635 0.996) 1.341 26.207 ( 4.050 4.050 7.849) 9.717 ======================= Grid point 295 (87/102) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -0.267 0.000 -12.882) 12.884 2.144 ( -24.098 0.000 -13.883) 27.811 2.747 ( 2.422 -0.000 2.789) 3.694 2.832 ( -9.366 -0.000 4.417) 10.356 3.465 ( -5.716 0.000 -17.315) 18.234 4.017 ( 4.513 0.000 -4.444) 6.334 4.034 ( 2.241 0.000 -5.783) 6.202 4.680 ( -5.531 -0.000 26.661) 27.229 5.028 ( -3.179 0.000 -39.523) 39.651 5.471 ( 1.161 0.000 -1.985) 2.300 5.488 ( 6.223 0.000 2.697) 6.783 5.534 ( -0.147 -0.000 2.972) 2.975 6.240 ( -0.280 0.000 -17.446) 17.448 6.868 ( -0.061 0.000 -7.232) 7.232 6.894 ( 6.806 -0.000 37.380) 37.994 7.386 ( -3.597 0.000 -3.471) 4.999 7.388 ( -3.106 -0.000 0.343) 3.125 8.451 ( 4.957 -0.000 3.401) 6.011 8.466 ( 2.853 -0.000 4.052) 4.956 8.750 ( 0.749 -0.000 12.510) 12.532 10.213 ( 0.002 0.000 -0.663) 0.663 10.254 ( -5.914 -0.000 -0.226) 5.918 11.505 ( 1.536 0.000 -0.240) 1.555 11.870 ( 0.056 0.000 -3.113) 3.114 11.872 ( -0.100 0.000 -3.055) 3.056 12.294 ( 0.365 -0.000 4.161) 4.177 14.534 ( 4.238 -0.000 6.630) 7.868 14.916 ( 1.376 -0.000 5.991) 6.147 22.208 ( -0.106 -0.000 1.548) 1.552 22.241 ( -4.780 -0.000 2.480) 5.385 22.767 ( 0.327 0.000 -2.876) 2.894 22.783 ( -1.911 0.000 -3.687) 4.153 23.761 ( -0.511 0.000 -1.920) 1.987 24.768 ( 0.247 -0.000 0.952) 0.983 24.812 ( 0.243 -0.000 1.319) 1.341 26.329 ( 4.866 -0.000 3.796) 6.172 ======================= Grid point 305 (88/102) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 0.000 -23.517) 23.517 1.661 ( 0.000 0.000 -23.517) 23.517 2.890 ( -0.000 -0.000 9.477) 9.477 2.890 ( -0.000 -0.000 9.477) 9.477 3.143 ( 0.000 0.000 -16.986) 16.986 3.990 ( 0.000 0.000 -0.754) 0.754 3.990 ( 0.000 0.000 -0.754) 0.754 4.237 ( 0.000 0.000 -55.957) 55.957 4.908 ( -0.000 -0.000 2.428) 2.428 5.426 ( 0.000 0.000 -4.180) 4.180 5.573 ( -0.000 -0.000 1.493) 1.493 5.573 ( -0.000 -0.000 1.493) 1.493 6.074 ( -0.000 -0.000 0.626) 0.626 6.755 ( 0.000 0.000 -6.585) 6.585 7.303 ( 0.000 0.000 -4.470) 4.470 7.303 ( 0.000 0.000 -4.470) 4.470 7.618 ( -0.000 -0.000 42.441) 42.441 8.507 ( 0.000 0.000 -0.471) 0.471 8.507 ( 0.000 0.000 -0.471) 0.471 8.953 ( -0.000 -0.000 11.729) 11.729 10.158 ( 0.000 0.000 -6.091) 6.091 10.158 ( 0.000 0.000 -6.091) 6.091 11.527 ( -0.000 -0.000 1.437) 1.437 11.872 ( -0.000 -0.000 3.112) 3.112 11.872 ( -0.000 -0.000 3.112) 3.112 12.415 ( -0.000 -0.000 11.014) 11.014 14.657 ( -0.000 -0.000 4.183) 4.183 14.950 ( 0.000 0.000 -3.267) 3.267 22.221 ( -0.000 -0.000 0.068) 0.068 22.221 ( -0.000 -0.000 0.068) 0.068 22.735 ( 0.000 0.000 -1.317) 1.317 22.735 ( 0.000 0.000 -1.317) 1.317 23.773 ( -0.000 -0.000 3.950) 3.950 24.797 ( -0.000 -0.000 2.830) 2.830 24.831 ( -0.000 -0.000 0.678) 0.678 26.402 ( -0.000 -0.000 0.720) 0.720 ======================= Grid point 360 (89/102) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 9.787 0.000 0.000) 9.787 2.368 ( 21.442 0.000 0.000) 21.442 3.310 ( -7.433 -0.000 -0.000) 7.433 3.409 ( 13.442 0.000 0.000) 13.442 3.482 ( -42.460 -0.000 -0.000) 42.460 4.158 ( 16.594 0.000 0.000) 16.594 4.175 ( 25.657 0.000 0.000) 25.657 4.403 ( 16.725 0.000 0.000) 16.725 4.903 ( -28.990 -0.000 -0.000) 28.990 4.919 ( 3.449 0.000 0.000) 3.449 4.945 ( -2.437 -0.000 -0.000) 2.437 5.091 ( -3.657 -0.000 -0.000) 3.657 6.952 ( 1.102 0.000 0.000) 1.102 7.080 ( 1.408 0.000 0.000) 1.408 7.177 ( 11.241 0.000 0.000) 11.241 7.188 ( 4.492 0.000 0.000) 4.492 7.261 ( 9.301 0.000 0.000) 9.301 7.628 ( -5.886 -0.000 -0.000) 5.886 8.074 ( -5.810 -0.000 -0.000) 5.810 8.492 ( -16.805 -0.000 -0.000) 16.805 9.915 ( 1.678 0.000 0.000) 1.678 10.565 ( -19.761 -0.000 -0.000) 19.761 12.014 ( 11.546 0.000 0.000) 11.546 12.309 ( 2.436 0.000 0.000) 2.436 12.391 ( 11.509 0.000 0.000) 11.509 13.059 ( -5.728 -0.000 -0.000) 5.728 13.403 ( -1.192 -0.000 -0.000) 1.192 13.580 ( -3.995 -0.000 -0.000) 3.995 22.099 ( -0.813 -0.000 -0.000) 0.813 22.322 ( -7.279 -0.000 -0.000) 7.279 22.889 ( 2.783 0.000 0.000) 2.783 23.465 ( -14.547 -0.000 -0.000) 14.547 24.644 ( 11.515 0.000 0.000) 11.515 24.784 ( 4.401 0.000 0.000) 4.401 24.876 ( -2.107 -0.000 -0.000) 2.107 25.166 ( -1.380 -0.000 -0.000) 1.380 ======================= Grid point 370 (90/102) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 6.595 -37.209 0.000) 37.789 2.622 ( 5.006 -1.342 0.000) 5.183 2.876 ( -35.734 0.224 -0.000) 35.734 3.162 ( -7.532 5.927 -0.000) 9.584 3.649 ( 11.324 -10.312 0.000) 15.315 4.388 ( 13.684 -1.723 0.000) 13.792 4.422 ( -14.289 3.724 -0.000) 14.767 4.478 ( 5.700 6.948 -0.000) 8.987 4.628 ( 12.842 -2.668 0.000) 13.116 4.919 ( -4.221 0.290 -0.000) 4.231 4.949 ( 2.788 1.928 0.000) 3.390 5.022 ( -3.229 2.871 -0.000) 4.321 6.974 ( 1.022 -1.225 0.000) 1.595 7.060 ( -2.683 0.410 -0.000) 2.714 7.236 ( 6.224 3.013 0.000) 6.915 7.293 ( 7.316 4.221 0.000) 8.446 7.445 ( 12.836 -2.104 0.000) 13.007 7.616 ( 0.772 -3.945 0.000) 4.020 7.978 ( -5.249 1.250 -0.000) 5.395 8.241 ( -16.490 2.501 -0.000) 16.679 9.977 ( 1.374 -5.862 0.000) 6.021 10.312 ( -16.050 0.593 -0.000) 16.061 12.153 ( 10.131 1.423 0.000) 10.230 12.309 ( 2.342 4.585 -0.000) 5.149 12.569 ( 9.049 -4.969 0.000) 10.324 12.943 ( -9.267 1.781 -0.000) 9.436 13.410 ( 1.772 -0.425 0.000) 1.822 13.519 ( -3.435 1.296 -0.000) 3.672 22.094 ( -0.202 -0.684 0.000) 0.714 22.209 ( -5.568 2.359 -0.000) 6.047 22.983 ( 1.618 -7.971 0.000) 8.134 23.287 ( -13.378 -1.520 -0.000) 13.464 24.727 ( 2.024 -1.183 0.000) 2.345 24.830 ( -3.394 0.715 -0.000) 3.469 24.907 ( 11.624 0.806 0.000) 11.652 25.125 ( 0.790 5.350 -0.000) 5.408 ======================= Grid point 371 (91/102) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 7.350 -0.000 10.109) 12.499 2.718 ( 9.084 -0.000 13.554) 16.316 2.851 ( -40.985 -0.000 -0.212) 40.986 3.465 ( -5.497 -0.000 27.727) 28.267 3.530 ( 9.284 0.000 -6.032) 11.071 4.288 ( -6.154 0.000 -12.438) 13.877 4.310 ( 12.526 0.000 -7.414) 14.556 4.502 ( -2.173 0.000 -4.432) 4.935 4.625 ( 2.157 0.000 -20.185) 20.300 4.743 ( 11.248 -0.000 10.875) 15.646 5.095 ( -1.861 -0.000 6.275) 6.545 5.210 ( -0.408 -0.000 14.673) 14.679 6.930 ( 1.097 0.000 -4.628) 4.756 7.054 ( -3.425 -0.000 -1.484) 3.733 7.166 ( 6.602 0.000 -6.575) 9.318 7.411 ( 8.025 0.000 -1.113) 8.102 7.458 ( 9.447 -0.000 10.826) 14.368 7.656 ( 2.963 -0.000 8.660) 9.153 7.965 ( -8.190 -0.000 -2.687) 8.620 8.304 ( -13.938 -0.000 5.138) 14.855 9.956 ( 1.283 -0.000 2.484) 2.796 10.334 ( -16.051 -0.000 2.261) 16.210 12.101 ( 9.858 0.000 -9.719) 13.843 12.307 ( 2.067 0.000 -4.216) 4.696 12.342 ( 5.625 0.000 -16.269) 17.214 12.829 ( -5.933 0.000 -15.110) 16.233 13.542 ( 4.372 -0.000 17.868) 18.395 13.768 ( -5.513 -0.000 22.660) 23.321 22.097 ( -0.707 -0.000 1.032) 1.251 22.234 ( -6.500 -0.000 1.018) 6.579 22.915 ( 2.572 0.000 -1.420) 2.938 23.258 ( -12.121 -0.000 -2.322) 12.341 24.609 ( 3.826 0.000 -22.551) 22.874 24.726 ( 4.808 0.000 -1.286) 4.977 24.837 ( -1.847 -0.000 -0.738) 1.989 25.425 ( 3.678 -0.000 20.745) 21.069 ======================= Grid point 379 (92/102) ======================= q-point: ( 0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 3.272 -46.292 0.000) 46.407 2.102 ( -46.292 3.272 -0.000) 46.407 2.951 ( 3.966 1.224 0.000) 4.151 2.951 ( 1.224 3.966 0.000) 4.151 4.002 ( 9.064 -18.562 0.000) 20.656 4.002 ( -18.562 9.064 -0.000) 20.656 4.536 ( 7.642 4.210 0.000) 8.725 4.536 ( 4.210 7.642 0.000) 8.725 4.815 ( 5.167 -1.734 0.000) 5.450 4.815 ( -1.734 5.167 0.000) 5.450 4.958 ( 1.967 1.909 0.000) 2.741 4.958 ( 1.909 1.967 0.000) 2.741 7.013 ( 0.149 -1.806 0.000) 1.812 7.013 ( -1.806 0.149 0.000) 1.812 7.280 ( 5.600 5.404 0.000) 7.782 7.280 ( 5.404 5.600 0.000) 7.782 7.623 ( 4.457 2.435 0.000) 5.079 7.623 ( 2.435 4.457 0.000) 5.079 8.004 ( -3.616 -6.933 0.000) 7.819 8.004 ( -6.933 -3.616 0.000) 7.819 10.112 ( -0.720 -9.565 0.000) 9.592 10.112 ( -9.565 -0.720 0.000) 9.592 12.253 ( 5.871 4.120 0.000) 7.172 12.253 ( 4.120 5.871 0.000) 7.172 12.766 ( -0.253 -2.644 0.000) 2.656 12.766 ( -2.644 -0.253 0.000) 2.656 13.456 ( 0.326 -0.406 0.000) 0.521 13.456 ( -0.406 0.326 0.000) 0.521 22.124 ( 1.106 -2.747 0.000) 2.961 22.124 ( -2.747 1.106 -0.000) 2.961 23.129 ( -3.157 -8.818 0.000) 9.366 23.129 ( -8.818 -3.157 0.000) 9.366 24.774 ( -0.269 -1.732 0.000) 1.753 24.774 ( -1.732 -0.269 0.000) 1.753 25.039 ( 5.769 5.320 0.000) 7.847 25.039 ( 5.320 5.769 0.000) 7.847 ======================= Grid point 381 (93/102) ======================= q-point: (-0.40 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 4.613 -34.075 7.621) 35.220 2.186 ( -45.778 2.120 5.046) 46.105 2.867 ( 5.328 -0.431 5.975) 8.016 3.395 ( 1.328 4.790 28.931) 29.355 3.727 ( 6.372 -12.323 -5.948) 15.094 4.026 ( -20.122 3.515 -8.481) 22.117 4.461 ( 8.666 0.487 -10.146) 13.352 4.517 ( 4.546 4.130 -8.779) 10.715 4.650 ( 1.479 0.608 -17.746) 17.818 4.915 ( 10.085 0.130 10.878) 14.834 5.056 ( -0.997 2.486 9.836) 10.195 5.190 ( 0.166 1.956 13.110) 13.256 6.952 ( 0.287 -1.535 -4.492) 4.756 7.007 ( -2.522 0.425 -2.265) 3.417 7.234 ( 6.309 3.550 -6.748) 9.897 7.461 ( 4.063 4.101 1.316) 5.921 7.596 ( 9.396 -1.353 5.389) 10.916 7.770 ( 6.518 -1.815 10.512) 12.502 7.832 ( -9.019 -0.305 -5.665) 10.655 8.120 ( -10.184 0.629 9.008) 13.611 10.009 ( 0.857 -5.500 2.090) 5.946 10.142 ( -11.310 0.134 2.531) 11.590 12.205 ( 7.313 2.555 -11.199) 13.617 12.306 ( 1.972 3.130 -3.897) 5.373 12.415 ( 0.390 -3.236 -18.610) 18.894 12.760 ( -2.468 0.757 -12.004) 12.278 13.608 ( 3.435 -1.758 20.241) 20.606 13.688 ( -3.824 2.047 20.885) 21.331 22.100 ( -0.036 -1.550 0.951) 1.819 22.147 ( -4.301 0.964 0.959) 4.511 22.988 ( 1.197 -5.550 -2.035) 6.032 23.117 ( -9.763 -1.196 -1.108) 9.898 24.626 ( -0.276 -0.466 -18.018) 18.026 24.778 ( 0.894 -0.246 -0.860) 1.264 24.829 ( 3.196 2.368 -6.318) 7.466 25.457 ( 4.366 3.282 21.383) 22.069 ======================= Grid point 382 (94/102) ======================= q-point: (-0.30 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 4.565 -0.000 15.163) 15.836 2.310 ( -42.359 -0.000 8.967) 43.298 3.103 ( 4.026 -0.000 23.139) 23.487 3.440 ( 3.250 0.000 -16.457) 16.775 3.672 ( -10.093 0.000 -12.015) 15.691 4.179 ( -4.415 -0.000 35.046) 35.323 4.295 ( 6.994 0.000 -11.204) 13.208 4.366 ( 2.395 0.000 -17.005) 17.173 4.442 ( 0.476 0.000 -4.045) 4.073 5.087 ( 11.511 -0.000 10.089) 15.306 5.223 ( 1.310 -0.000 9.041) 9.135 5.378 ( -0.990 -0.000 8.592) 8.649 6.822 ( -0.214 0.000 -11.029) 11.031 6.943 ( -2.802 0.000 -6.762) 7.319 7.154 ( 6.065 0.000 -6.467) 8.866 7.443 ( 2.300 0.000 -2.083) 3.103 7.646 ( -3.844 0.000 -2.130) 4.395 7.890 ( 2.027 -0.000 10.462) 10.657 7.925 ( 8.280 -0.000 12.525) 15.014 8.279 ( -8.265 -0.000 10.144) 13.085 10.024 ( 0.711 -0.000 4.407) 4.464 10.194 ( -11.398 -0.000 4.104) 12.114 11.930 ( 4.254 0.000 -20.865) 21.294 12.216 ( 2.430 0.000 -7.950) 8.313 12.236 ( 1.358 0.000 -7.836) 7.953 12.547 ( -1.100 0.000 -13.964) 14.007 13.904 ( 3.346 -0.000 18.406) 18.708 14.085 ( -2.888 -0.000 25.795) 25.956 22.111 ( -0.541 -0.000 1.852) 1.929 22.178 ( -5.066 -0.000 2.006) 5.449 22.913 ( 1.847 0.000 -2.806) 3.359 23.068 ( -8.609 -0.000 -3.630) 9.343 24.306 ( 2.070 0.000 -20.629) 20.732 24.758 ( 2.645 0.000 -0.917) 2.799 24.805 ( -0.922 0.000 -0.895) 1.285 25.782 ( 4.377 -0.000 17.270) 17.816 ======================= Grid point 391 (95/102) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -13.248 -13.248 12.595) 22.575 1.787 ( -14.374 -14.374 12.647) 23.941 3.131 ( 0.889 0.889 22.746) 22.781 3.498 ( -0.926 -0.926 -16.699) 16.750 3.564 ( -5.793 -5.793 -18.197) 19.956 4.144 ( 1.407 1.407 40.748) 40.796 4.353 ( 0.964 0.964 -17.715) 17.767 4.395 ( 2.305 2.305 -8.465) 9.070 4.429 ( 0.046 0.046 -7.437) 7.437 5.180 ( 4.450 4.450 9.672) 11.540 5.231 ( 1.288 1.288 10.060) 10.224 5.360 ( 0.422 0.422 8.457) 8.478 6.821 ( -1.238 -1.238 -11.431) 11.564 6.922 ( -0.338 -0.338 -6.598) 6.615 7.205 ( 4.411 4.411 -7.162) 9.498 7.465 ( 0.930 0.930 -2.810) 3.102 7.596 ( -6.069 -6.069 -5.970) 10.455 7.903 ( 6.443 6.443 13.968) 16.678 8.025 ( 2.473 2.473 12.418) 12.901 8.192 ( -3.738 -3.738 11.785) 12.917 10.056 ( -1.596 -1.596 3.733) 4.362 10.088 ( -3.899 -3.899 4.686) 7.236 11.958 ( 1.206 1.206 -21.455) 21.523 12.239 ( 0.892 0.892 -8.555) 8.648 12.241 ( 1.054 1.054 -7.529) 7.675 12.539 ( 0.032 0.032 -13.253) 13.253 13.932 ( 0.136 0.136 17.630) 17.631 14.059 ( 0.403 0.403 27.229) 27.235 22.121 ( -1.105 -1.105 1.987) 2.527 22.123 ( -1.199 -1.199 1.711) 2.409 22.947 ( -0.681 -0.681 -3.692) 3.816 22.993 ( -4.017 -4.017 -2.388) 6.162 24.319 ( 0.760 0.760 -20.232) 20.261 24.781 ( -0.134 -0.134 -0.095) 0.212 24.796 ( 1.209 1.209 -2.185) 2.774 25.812 ( 2.879 2.879 17.496) 17.964 ======================= Grid point 392 (96/102) ======================= q-point: (-0.30 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 2.052 -0.000 15.549) 15.684 2.007 ( -26.399 -0.000 13.977) 29.871 3.157 ( 0.597 0.000 -21.318) 21.326 3.224 ( -8.775 0.000 -21.364) 23.096 3.574 ( 2.211 -0.000 31.673) 31.750 4.052 ( -0.701 0.000 -19.830) 19.843 4.261 ( 3.930 0.000 -8.161) 9.058 4.303 ( -2.043 0.000 -6.418) 6.735 4.889 ( 1.574 -0.000 43.429) 43.458 5.342 ( 5.305 -0.000 7.565) 9.240 5.370 ( 1.324 -0.000 6.841) 6.968 5.464 ( -0.633 -0.000 4.217) 4.264 6.583 ( -1.136 0.000 -16.410) 16.449 6.773 ( -0.448 0.000 -12.587) 12.595 7.113 ( 3.698 0.000 -8.231) 9.024 7.430 ( 0.431 0.000 -1.903) 1.951 7.483 ( -6.475 0.000 -3.543) 7.381 8.181 ( 6.624 -0.000 13.338) 14.892 8.212 ( 5.185 -0.000 11.322) 12.453 8.362 ( -5.402 -0.000 12.259) 13.396 10.107 ( 0.223 -0.000 5.284) 5.289 10.149 ( -5.754 -0.000 5.113) 7.698 11.689 ( 1.109 0.000 -13.434) 13.479 12.104 ( 1.138 0.000 -9.606) 9.673 12.109 ( 0.538 0.000 -9.740) 9.755 12.367 ( 0.184 0.000 -8.605) 8.607 14.190 ( 1.098 -0.000 15.137) 15.177 14.458 ( 0.379 -0.000 22.596) 22.600 22.139 ( -0.283 -0.000 2.386) 2.402 22.158 ( -2.972 -0.000 2.535) 3.906 22.880 ( 0.855 0.000 -3.770) 3.866 22.916 ( -4.303 0.000 -4.166) 5.990 24.040 ( 0.804 0.000 -15.802) 15.823 24.772 ( 0.743 0.000 -0.566) 0.934 24.788 ( 0.104 0.000 -0.267) 0.287 26.071 ( 3.110 -0.000 12.969) 13.337 ======================= Grid point 402 (97/102) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -0.000 -0.000 7.631) 7.631 2.009 ( -0.000 -0.000 7.631) 7.631 2.858 ( 0.000 0.000 -15.310) 15.310 2.858 ( 0.000 0.000 -15.310) 15.310 3.728 ( 0.000 0.000 -20.166) 20.166 4.129 ( -0.000 -0.000 35.267) 35.267 4.162 ( 0.000 0.000 -7.859) 7.859 4.162 ( 0.000 0.000 -7.859) 7.859 5.359 ( -0.000 -0.000 3.977) 3.977 5.469 ( -0.000 -0.000 4.820) 4.820 5.469 ( -0.000 -0.000 4.820) 4.820 5.495 ( -0.000 -0.000 0.487) 0.487 6.463 ( -0.000 -0.000 11.664) 11.664 6.531 ( 0.000 0.000 -18.095) 18.095 6.998 ( 0.000 0.000 -8.875) 8.875 7.399 ( 0.000 0.000 -2.130) 2.130 7.399 ( 0.000 0.000 -2.130) 2.130 8.399 ( -0.000 -0.000 7.740) 7.740 8.399 ( -0.000 -0.000 7.740) 7.740 8.535 ( -0.000 -0.000 14.687) 14.687 10.184 ( -0.000 -0.000 3.910) 3.910 10.184 ( -0.000 -0.000 3.910) 3.910 11.553 ( 0.000 0.000 -5.315) 5.315 11.966 ( 0.000 0.000 -8.419) 8.419 11.966 ( 0.000 0.000 -8.419) 8.419 12.282 ( 0.000 0.000 -2.383) 2.383 14.410 ( -0.000 -0.000 11.866) 11.866 14.760 ( -0.000 -0.000 15.193) 15.193 22.175 ( -0.000 -0.000 2.417) 2.417 22.175 ( -0.000 -0.000 2.417) 2.417 22.824 ( 0.000 0.000 -3.912) 3.912 22.824 ( 0.000 0.000 -3.912) 3.912 23.847 ( 0.000 0.000 -9.349) 9.349 24.766 ( 0.000 0.000 -0.377) 0.377 24.797 ( -0.000 -0.000 0.893) 0.893 26.263 ( -0.000 -0.000 8.637) 8.637 ======================= Grid point 478 (98/102) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 5.491 0.000 0.000) 5.491 2.159 ( -46.629 -0.000 -0.000) 46.629 2.871 ( 11.516 0.000 0.000) 11.516 3.115 ( -5.346 -0.000 -0.000) 5.346 3.698 ( 7.102 0.000 0.000) 7.102 4.139 ( -22.601 -0.000 -0.000) 22.601 4.566 ( 12.694 0.000 0.000) 12.694 4.671 ( 9.466 0.000 0.000) 9.466 4.761 ( 8.817 0.000 0.000) 8.817 4.895 ( -1.095 -0.000 -0.000) 1.095 4.986 ( 0.599 0.000 0.000) 0.599 4.999 ( -2.734 -0.000 -0.000) 2.734 6.975 ( 0.606 0.000 0.000) 0.606 7.024 ( -2.631 -0.000 -0.000) 2.631 7.355 ( 7.904 0.000 0.000) 7.904 7.465 ( 9.398 0.000 0.000) 9.398 7.581 ( 1.351 0.000 0.000) 1.351 7.599 ( 11.003 0.000 0.000) 11.003 7.907 ( -6.243 -0.000 -0.000) 6.243 8.032 ( -16.042 -0.000 -0.000) 16.042 9.952 ( 0.975 0.000 0.000) 0.975 10.126 ( -11.366 -0.000 -0.000) 11.366 12.284 ( 7.371 0.000 0.000) 7.371 12.367 ( 1.600 0.000 0.000) 1.600 12.639 ( 6.121 0.000 0.000) 6.121 12.839 ( -7.674 -0.000 -0.000) 7.674 13.428 ( 1.508 0.000 0.000) 1.508 13.486 ( -2.506 -0.000 -0.000) 2.506 22.081 ( -0.493 -0.000 -0.000) 0.493 22.146 ( -4.974 -0.000 -0.000) 4.974 22.960 ( 2.101 0.000 0.000) 2.101 23.124 ( -9.290 -0.000 -0.000) 9.290 24.726 ( 0.152 0.000 0.000) 0.152 24.782 ( -3.600 -0.000 -0.000) 3.600 25.066 ( 9.580 0.000 0.000) 9.580 25.179 ( 1.422 0.000 0.000) 1.422 ======================= Grid point 488 (99/102) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 2.418 -35.032 0.000) 35.116 1.559 ( -35.032 2.418 -0.000) 35.116 3.016 ( 2.188 1.454 0.000) 2.627 3.016 ( 1.454 2.188 0.000) 2.627 3.861 ( 3.767 -12.689 0.000) 13.236 3.861 ( -12.689 3.767 -0.000) 13.236 4.700 ( 7.965 2.783 0.000) 8.437 4.700 ( 2.783 7.965 -0.000) 8.437 4.860 ( 1.981 0.774 0.000) 2.127 4.860 ( 0.774 1.981 0.000) 2.127 4.977 ( -0.464 -0.469 0.000) 0.660 4.977 ( -0.469 -0.464 0.000) 0.660 6.992 ( -0.354 -0.825 0.000) 0.897 6.992 ( -0.825 -0.354 0.000) 0.897 7.451 ( 7.014 6.327 0.000) 9.446 7.451 ( 6.327 7.014 0.000) 9.446 7.696 ( 1.619 1.396 0.000) 2.138 7.696 ( 1.396 1.619 0.000) 2.138 7.849 ( -5.534 -5.846 0.000) 8.050 7.849 ( -5.846 -5.534 0.000) 8.050 10.003 ( 0.155 -5.519 0.000) 5.521 10.003 ( -5.519 0.155 0.000) 5.521 12.356 ( 3.297 1.655 0.000) 3.689 12.356 ( 1.655 3.297 0.000) 3.689 12.734 ( -0.535 -1.126 0.000) 1.247 12.734 ( -1.126 -0.535 0.000) 1.247 13.453 ( -0.008 -0.206 0.000) 0.206 13.453 ( -0.206 -0.008 0.000) 0.206 22.092 ( -0.021 -2.337 0.000) 2.337 22.092 ( -2.337 -0.021 -0.000) 2.337 23.019 ( 0.179 -4.669 0.000) 4.672 23.019 ( -4.669 0.179 0.000) 4.672 24.742 ( -0.901 -1.112 0.000) 1.432 24.742 ( -1.112 -0.901 0.000) 1.432 25.161 ( 3.146 3.017 0.000) 4.359 25.161 ( 3.017 3.146 0.000) 4.359 ======================= Grid point 490 (100/102) ======================= q-point: (-0.40 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 2.692 -0.000 9.147) 9.535 1.635 ( -33.341 -0.000 7.432) 34.159 2.914 ( 1.768 -0.000 4.382) 4.726 3.466 ( 3.054 -0.000 34.402) 34.538 3.694 ( 2.757 0.000 -9.878) 10.255 3.811 ( -13.278 0.000 -8.240) 15.627 4.568 ( 5.339 0.000 -12.579) 13.665 4.593 ( 1.929 0.000 -11.810) 11.966 4.672 ( 0.928 0.000 -18.660) 18.683 5.029 ( 5.548 -0.000 12.865) 14.011 5.066 ( -0.047 -0.000 12.188) 12.188 5.195 ( -0.778 -0.000 13.066) 13.089 6.939 ( -0.535 0.000 -5.208) 5.236 6.985 ( -0.872 0.000 -2.013) 2.194 7.373 ( 8.559 0.000 -8.570) 12.112 7.534 ( 2.079 0.000 -5.247) 5.644 7.634 ( -4.296 0.000 -3.495) 5.538 7.774 ( 2.489 -0.000 8.142) 8.514 7.835 ( 5.348 -0.000 11.024) 12.253 7.985 ( -9.355 -0.000 11.466) 14.798 9.980 ( 0.468 -0.000 2.247) 2.295 10.024 ( -5.889 -0.000 2.230) 6.298 12.306 ( 4.738 0.000 -12.303) 13.184 12.349 ( 0.826 0.000 -4.419) 4.495 12.383 ( -1.489 0.000 -18.411) 18.471 12.743 ( -0.713 0.000 -10.710) 10.734 13.632 ( 1.730 -0.000 21.851) 21.919 13.661 ( -1.949 -0.000 19.929) 20.024 22.083 ( -0.267 -0.000 0.981) 1.017 22.100 ( -2.718 -0.000 0.988) 2.892 22.970 ( 1.131 0.000 -1.640) 1.992 23.012 ( -4.911 -0.000 -1.680) 5.190 24.610 ( -0.812 0.000 -14.173) 14.196 24.770 ( -0.569 -0.000 1.220) 1.346 24.899 ( 2.912 0.000 -11.709) 12.065 25.527 ( 2.587 -0.000 21.361) 21.518 ======================= Grid point 500 (101/102) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -0.000 -0.000 14.587) 14.587 1.573 ( -0.000 -0.000 14.587) 14.587 3.144 ( -0.000 -0.000 22.822) 22.822 3.481 ( 0.000 0.000 -18.625) 18.625 3.481 ( 0.000 0.000 -18.625) 18.625 4.166 ( -0.000 -0.000 47.147) 47.147 4.369 ( 0.000 0.000 -20.468) 20.468 4.428 ( 0.000 0.000 -9.898) 9.898 4.428 ( 0.000 0.000 -9.898) 9.898 5.250 ( -0.000 -0.000 10.003) 10.003 5.250 ( -0.000 -0.000 10.003) 10.003 5.358 ( -0.000 -0.000 8.700) 8.700 6.803 ( 0.000 0.000 -11.732) 11.732 6.917 ( 0.000 0.000 -6.446) 6.446 7.300 ( 0.000 0.000 -10.494) 10.494 7.478 ( 0.000 0.000 -3.646) 3.646 7.478 ( 0.000 0.000 -3.646) 3.646 8.061 ( -0.000 -0.000 12.566) 12.566 8.061 ( -0.000 -0.000 12.566) 12.566 8.073 ( -0.000 -0.000 14.489) 14.489 10.034 ( -0.000 -0.000 4.181) 4.181 10.034 ( -0.000 -0.000 4.181) 4.181 11.971 ( 0.000 0.000 -21.828) 21.828 12.256 ( 0.000 0.000 -8.077) 8.077 12.256 ( 0.000 0.000 -8.077) 8.077 12.539 ( 0.000 0.000 -12.984) 12.984 13.933 ( -0.000 -0.000 18.015) 18.015 14.064 ( -0.000 -0.000 27.613) 27.613 22.103 ( -0.000 -0.000 1.829) 1.829 22.103 ( -0.000 -0.000 1.829) 1.829 22.940 ( 0.000 0.000 -3.043) 3.043 22.940 ( 0.000 0.000 -3.043) 3.043 24.327 ( 0.000 0.000 -19.568) 19.568 24.778 ( -0.000 -0.000 0.165) 0.165 24.814 ( 0.000 0.000 -2.990) 2.990 25.852 ( -0.000 -0.000 17.745) 17.745 ======================= Grid point 598 (102/102) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 0.000 0.000) 0.000 1.311 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 4.789 ( -0.000 -0.000 -0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.654 ( -0.000 -0.000 0.000) 0.000 7.654 ( -0.000 -0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 12.390 ( 0.000 0.000 0.000) 0.000 12.390 ( 0.000 0.000 0.000) 0.000 12.722 ( 0.000 0.000 0.000) 0.000 12.722 ( 0.000 0.000 0.000) 0.000 13.452 ( 0.000 0.000 0.000) 0.000 13.452 ( 0.000 0.000 0.000) 0.000 22.074 ( 0.000 0.000 0.000) 0.000 22.074 ( 0.000 0.000 0.000) 0.000 22.991 ( 0.000 0.000 0.000) 0.000 22.991 ( 0.000 0.000 0.000) 0.000 24.727 ( 0.000 0.000 0.000) 0.000 24.727 ( 0.000 0.000 0.000) 0.000 25.204 ( 0.000 0.000 0.000) 0.000 25.204 ( 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 3/36000 10.0 1687.514 1687.514 3146.834 -0.000 -0.000 0.000 3/36000 20.0 843.061 843.061 827.644 -0.000 -0.000 0.000 3/36000 30.0 360.133 360.133 351.918 -0.000 -0.000 0.000 3/36000 40.0 208.859 208.859 206.155 -0.000 -0.000 0.000 3/36000 50.0 139.584 139.584 142.106 -0.000 -0.000 0.000 3/36000 60.0 101.464 101.464 106.436 -0.000 -0.000 0.000 3/36000 70.0 78.290 78.290 84.067 -0.000 -0.000 0.000 3/36000 80.0 63.150 63.150 68.980 -0.000 -0.000 0.000 3/36000 90.0 52.679 52.679 58.256 -0.000 -0.000 0.000 3/36000 100.0 45.093 45.093 50.314 -0.000 -0.000 0.000 3/36000 110.0 39.387 39.387 44.238 -0.000 -0.000 0.000 3/36000 120.0 34.958 34.958 39.464 -0.000 -0.000 0.000 3/36000 130.0 31.431 31.431 35.627 -0.000 -0.000 0.000 3/36000 140.0 28.561 28.561 32.485 -0.000 -0.000 0.000 3/36000 150.0 26.183 26.183 29.869 -0.000 -0.000 0.000 3/36000 160.0 24.181 24.181 27.659 -0.000 -0.000 0.000 3/36000 170.0 22.474 22.474 25.770 -0.000 -0.000 0.000 3/36000 180.0 21.000 21.000 24.137 -0.000 -0.000 0.000 3/36000 190.0 19.716 19.716 22.712 -0.000 -0.000 0.000 3/36000 200.0 18.587 18.587 21.457 -0.000 -0.000 0.000 3/36000 210.0 17.585 17.585 20.344 -0.000 -0.000 0.000 3/36000 220.0 16.692 16.692 19.349 -0.000 -0.000 0.000 3/36000 230.0 15.889 15.889 18.454 -0.000 -0.000 0.000 3/36000 240.0 15.163 15.163 17.645 -0.000 -0.000 0.000 3/36000 250.0 14.505 14.505 16.910 -0.000 -0.000 0.000 3/36000 260.0 13.903 13.903 16.238 -0.000 -0.000 0.000 3/36000 270.0 13.353 13.353 15.621 -0.000 -0.000 0.000 3/36000 280.0 12.846 12.846 15.053 -0.000 -0.000 0.000 3/36000 290.0 12.378 12.378 14.528 -0.000 -0.000 0.000 3/36000 300.0 11.945 11.945 14.041 -0.000 -0.000 0.000 3/36000 310.0 11.542 11.542 13.587 -0.000 -0.000 0.000 3/36000 320.0 11.167 11.167 13.164 -0.000 -0.000 0.000 3/36000 330.0 10.816 10.816 12.768 -0.000 -0.000 0.000 3/36000 340.0 10.488 10.488 12.396 -0.000 -0.000 0.000 3/36000 350.0 10.179 10.179 12.047 -0.000 -0.000 0.000 3/36000 360.0 9.889 9.889 11.717 -0.000 -0.000 0.000 3/36000 370.0 9.616 9.616 11.407 -0.000 -0.000 0.000 3/36000 380.0 9.358 9.358 11.112 -0.000 -0.000 0.000 3/36000 390.0 9.113 9.113 10.834 -0.000 -0.000 0.000 3/36000 400.0 8.882 8.882 10.569 -0.000 -0.000 0.000 3/36000 410.0 8.662 8.662 10.317 -0.000 -0.000 0.000 3/36000 420.0 8.454 8.454 10.078 -0.000 -0.000 0.000 3/36000 430.0 8.255 8.255 9.850 -0.000 -0.000 0.000 3/36000 440.0 8.066 8.066 9.632 -0.000 -0.000 0.000 3/36000 450.0 7.885 7.885 9.423 -0.000 -0.000 0.000 3/36000 460.0 7.712 7.712 9.224 -0.000 -0.000 0.000 3/36000 470.0 7.547 7.547 9.034 -0.000 -0.000 0.000 3/36000 480.0 7.390 7.390 8.851 -0.000 -0.000 0.000 3/36000 490.0 7.238 7.238 8.675 -0.000 -0.000 0.000 3/36000 500.0 7.093 7.093 8.507 -0.000 -0.000 0.000 3/36000 510.0 6.954 6.954 8.345 -0.000 -0.000 0.000 3/36000 520.0 6.820 6.820 8.189 -0.000 -0.000 0.000 3/36000 530.0 6.691 6.691 8.039 -0.000 -0.000 0.000 3/36000 540.0 6.567 6.567 7.894 -0.000 -0.000 0.000 3/36000 550.0 6.448 6.448 7.755 -0.000 -0.000 0.000 3/36000 560.0 6.333 6.333 7.620 -0.000 -0.000 0.000 3/36000 570.0 6.222 6.222 7.490 -0.000 -0.000 0.000 3/36000 580.0 6.115 6.115 7.364 -0.000 -0.000 0.000 3/36000 590.0 6.011 6.011 7.243 -0.000 -0.000 0.000 3/36000 600.0 5.911 5.911 7.126 -0.000 -0.000 0.000 3/36000 610.0 5.814 5.814 7.012 -0.000 -0.000 0.000 3/36000 620.0 5.721 5.721 6.902 -0.000 -0.000 0.000 3/36000 630.0 5.630 5.630 6.795 -0.000 -0.000 0.000 3/36000 640.0 5.543 5.543 6.692 -0.000 -0.000 0.000 3/36000 650.0 5.458 5.458 6.592 -0.000 -0.000 0.000 3/36000 660.0 5.375 5.375 6.494 -0.000 -0.000 0.000 3/36000 670.0 5.295 5.295 6.400 -0.000 -0.000 0.000 3/36000 680.0 5.218 5.218 6.308 -0.000 -0.000 0.000 3/36000 690.0 5.142 5.142 6.219 -0.000 -0.000 0.000 3/36000 700.0 5.069 5.069 6.132 -0.000 -0.000 0.000 3/36000 710.0 4.998 4.998 6.048 -0.000 -0.000 0.000 3/36000 720.0 4.929 4.929 5.966 -0.000 -0.000 0.000 3/36000 730.0 4.862 4.862 5.886 -0.000 -0.000 0.000 3/36000 740.0 4.796 4.796 5.808 -0.000 -0.000 0.000 3/36000 750.0 4.733 4.733 5.733 -0.000 -0.000 0.000 3/36000 760.0 4.671 4.671 5.659 -0.000 -0.000 0.000 3/36000 770.0 4.610 4.610 5.587 -0.000 -0.000 0.000 3/36000 780.0 4.552 4.552 5.517 -0.000 -0.000 0.000 3/36000 790.0 4.494 4.494 5.449 -0.000 -0.000 0.000 3/36000 800.0 4.438 4.438 5.382 -0.000 -0.000 0.000 3/36000 810.0 4.384 4.384 5.317 -0.000 -0.000 0.000 3/36000 820.0 4.331 4.331 5.253 -0.000 -0.000 0.000 3/36000 830.0 4.279 4.279 5.191 -0.000 -0.000 0.000 3/36000 840.0 4.228 4.228 5.131 -0.000 -0.000 0.000 3/36000 850.0 4.178 4.178 5.072 -0.000 -0.000 0.000 3/36000 860.0 4.130 4.130 5.014 -0.000 -0.000 0.000 3/36000 870.0 4.083 4.083 4.957 -0.000 -0.000 0.000 3/36000 880.0 4.037 4.037 4.902 -0.000 -0.000 0.000 3/36000 890.0 3.992 3.992 4.848 -0.000 -0.000 0.000 3/36000 900.0 3.947 3.947 4.795 -0.000 -0.000 0.000 3/36000 910.0 3.904 3.904 4.743 -0.000 -0.000 0.000 3/36000 920.0 3.862 3.862 4.693 -0.000 -0.000 0.000 3/36000 930.0 3.821 3.821 4.643 -0.000 -0.000 0.000 3/36000 940.0 3.780 3.780 4.595 -0.000 -0.000 0.000 3/36000 950.0 3.741 3.741 4.547 -0.000 -0.000 0.000 3/36000 960.0 3.702 3.702 4.501 -0.000 -0.000 0.000 3/36000 970.0 3.664 3.664 4.455 -0.000 -0.000 0.000 3/36000 980.0 3.627 3.627 4.410 -0.000 -0.000 0.000 3/36000 990.0 3.590 3.590 4.366 -0.000 -0.000 0.000 3/36000 1000.0 3.554 3.554 4.324 -0.000 -0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:42:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|