----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:27:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.618412920000000 3.618412920000000 3.267267620000000 b 3.618412920000000 -3.618412920000000 3.267267620000000 c 3.618412920000000 3.618412920000000 -3.267267620000000 Atomic positions (fractional): *1 O 0.17881481015185 0.99627394240515 0.81745913225330 15.999 2 O 0.11135567789855 0.42881481015185 0.68254086774670 15.999 3 O 0.74627394240515 0.42881481015185 0.31745913225330 15.999 4 O 0.17881481015185 0.36135567789855 0.18254086774670 15.999 5 O 0.63864432210145 0.82118518984815 0.81745913225330 15.999 6 O 0.57118518984815 0.25372605759485 0.68254086774670 15.999 7 O 0.57118518984815 0.88864432210145 0.31745913225330 15.999 8 O 0.00372605759485 0.82118518984815 0.18254086774670 15.999 *9 Ge 0.75000000000000 0.25000000000000 0.50000000000000 72.640 10 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 *11 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 12 Th 0.25000000000000 0.75000000000000 0.50000000000000 232.038 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.236825840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.236825840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.534535240000000 Atomic positions (fractional): *1 O 0.31745913225330 0.50000000000000 0.67881481015185 15.999 > 1 2 O 0.50000000000000 0.18254086774670 0.92881481015185 15.999 > 2 3 O 0.00000000000000 0.31745913225330 0.42881481015185 15.999 > 3 4 O 0.68254086774670 0.50000000000000 0.67881481015185 15.999 > 4 5 O 0.00000000000000 0.81745913225330 0.82118518984815 15.999 > 5 6 O 0.18254086774670 0.50000000000000 0.07118518984815 15.999 > 6 7 O 0.31745913225330 0.00000000000000 0.57118518984815 15.999 > 7 8 O 0.00000000000000 0.18254086774670 0.82118518984815 15.999 > 8 9 O 0.81745913225330 0.00000000000000 0.17881481015185 15.999 > 1 10 O 0.00000000000000 0.68254086774670 0.42881481015185 15.999 > 2 11 O 0.50000000000000 0.81745913225330 0.92881481015185 15.999 > 3 12 O 0.18254086774670 0.00000000000000 0.17881481015185 15.999 > 4 13 O 0.50000000000000 0.31745913225330 0.32118518984815 15.999 > 5 14 O 0.68254086774670 0.00000000000000 0.57118518984815 15.999 > 6 15 O 0.81745913225330 0.50000000000000 0.07118518984815 15.999 > 7 16 O 0.50000000000000 0.68254086774670 0.32118518984815 15.999 > 8 *17 Ge 0.50000000000000 0.00000000000000 0.75000000000000 72.640 > 9 18 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 10 19 Ge 0.00000000000000 0.50000000000000 0.25000000000000 72.640 > 9 20 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 10 *21 Th 0.00000000000000 0.00000000000000 0.50000000000000 232.038 > 11 22 Th 0.00000000000000 0.50000000000000 0.75000000000000 232.038 > 12 23 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 11 24 Th 0.50000000000000 0.00000000000000 0.25000000000000 232.038 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.236825840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.236825840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.069070480000001 Atomic positions (fractional): *1 O 0.31745913225330 0.50000000000000 0.33940740507592 15.999 > 1 2 O 0.31745913225330 0.50000000000000 0.83940740507593 15.999 > 1 3 O 0.50000000000000 0.18254086774670 0.46440740507592 15.999 > 2 4 O 0.50000000000000 0.18254086774670 0.96440740507593 15.999 > 2 5 O 0.00000000000000 0.31745913225330 0.21440740507593 15.999 > 3 6 O 0.00000000000000 0.31745913225330 0.71440740507593 15.999 > 3 7 O 0.68254086774670 0.50000000000000 0.33940740507592 15.999 > 4 8 O 0.68254086774670 0.50000000000000 0.83940740507593 15.999 > 4 9 O 0.00000000000000 0.81745913225330 0.41059259492408 15.999 > 5 10 O 0.00000000000000 0.81745913225330 0.91059259492407 15.999 > 5 11 O 0.18254086774670 0.50000000000000 0.03559259492408 15.999 > 6 12 O 0.18254086774670 0.50000000000000 0.53559259492407 15.999 > 6 13 O 0.31745913225330 0.00000000000000 0.28559259492408 15.999 > 7 14 O 0.31745913225330 0.00000000000000 0.78559259492407 15.999 > 7 15 O 0.00000000000000 0.18254086774670 0.41059259492408 15.999 > 8 16 O 0.00000000000000 0.18254086774670 0.91059259492407 15.999 > 8 17 O 0.81745913225330 0.00000000000000 0.08940740507592 15.999 > 1 18 O 0.81745913225330 0.00000000000000 0.58940740507593 15.999 > 1 19 O 0.00000000000000 0.68254086774670 0.21440740507593 15.999 > 2 20 O 0.00000000000000 0.68254086774670 0.71440740507593 15.999 > 2 21 O 0.50000000000000 0.81745913225330 0.46440740507592 15.999 > 3 22 O 0.50000000000000 0.81745913225330 0.96440740507593 15.999 > 3 23 O 0.18254086774670 0.00000000000000 0.08940740507592 15.999 > 4 24 O 0.18254086774670 0.00000000000000 0.58940740507593 15.999 > 4 25 O 0.50000000000000 0.31745913225330 0.16059259492407 15.999 > 5 26 O 0.50000000000000 0.31745913225330 0.66059259492407 15.999 > 5 27 O 0.68254086774670 0.00000000000000 0.28559259492408 15.999 > 6 28 O 0.68254086774670 0.00000000000000 0.78559259492407 15.999 > 6 29 O 0.81745913225330 0.50000000000000 0.03559259492408 15.999 > 7 30 O 0.81745913225330 0.50000000000000 0.53559259492407 15.999 > 7 31 O 0.50000000000000 0.68254086774670 0.16059259492407 15.999 > 8 32 O 0.50000000000000 0.68254086774670 0.66059259492407 15.999 > 8 *33 Ge 0.50000000000000 0.00000000000000 0.37500000000000 72.640 > 9 34 Ge 0.50000000000000 0.00000000000000 0.87500000000000 72.640 > 9 35 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 10 36 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 10 37 Ge 0.00000000000000 0.50000000000000 0.12500000000000 72.640 > 9 38 Ge 0.00000000000000 0.50000000000000 0.62500000000000 72.640 > 9 39 Ge 0.50000000000000 0.50000000000000 0.25000000000000 72.640 > 10 40 Ge 0.50000000000000 0.50000000000000 0.75000000000000 72.640 > 10 *41 Th 0.00000000000000 0.00000000000000 0.25000000000000 232.038 > 11 42 Th 0.00000000000000 0.00000000000000 0.75000000000000 232.038 > 11 43 Th 0.00000000000000 0.50000000000000 0.37500000000000 232.038 > 12 44 Th 0.00000000000000 0.50000000000000 0.87500000000000 232.038 > 12 45 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 11 46 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 11 47 Th 0.50000000000000 0.00000000000000 0.12500000000000 232.038 > 12 48 Th 0.50000000000000 0.00000000000000 0.62500000000000 232.038 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8822802 0.0000000 0.0000000 0.0000000 3.8822802 0.0000000 0.0000000 0.0000000 4.2165933 -------------------------- Born effective charges -------------------------- 1 O -3.4001085 0.0000000 0.3696099 0.0000000 -1.1167933 0.0000000 0.3089756 0.0000000 -2.4416757 2 O -1.1167933 0.0000000 0.0000000 0.0000000 -3.4001085 -0.3696099 0.0000000 -0.3089756 -2.4416757 3 O -1.1167933 0.0000000 0.0000000 0.0000000 -3.4001085 0.3696099 0.0000000 0.3089756 -2.4416757 4 O -3.4001085 0.0000000 -0.3696099 0.0000000 -1.1167933 0.0000000 -0.3089756 0.0000000 -2.4416757 5 O -1.1167933 0.0000000 0.0000000 0.0000000 -3.4001085 -0.3696099 0.0000000 -0.3089756 -2.4416757 6 O -3.4001085 0.0000000 0.3696099 0.0000000 -1.1167933 0.0000000 0.3089756 0.0000000 -2.4416757 7 O -3.4001085 0.0000000 -0.3696099 0.0000000 -1.1167933 0.0000000 -0.3089756 0.0000000 -2.4416757 8 O -1.1167933 0.0000000 0.0000000 0.0000000 -3.4001085 0.3696099 0.0000000 0.3089756 -2.4416757 9 Ge 3.1570231 0.0000000 0.0000000 0.0000000 3.1570231 0.0000000 0.0000000 0.0000000 4.2696746 10 Ge 3.1570231 0.0000000 0.0000000 0.0000000 3.1570231 0.0000000 0.0000000 0.0000000 4.2696746 11 Th 5.8767804 0.0000000 0.0000000 0.0000000 5.8767804 0.0000000 0.0000000 0.0000000 5.4970282 12 Th 5.8767804 0.0000000 0.0000000 0.0000000 5.8767804 0.0000000 0.0000000 0.0000000 5.4970282 ---------------------------------------------------------------------------- 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: 0.075 Solver_block: 160 / 160 - Time: 0.034 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.111 --------------------------------- 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:27:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:27:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.618412920000000 3.618412920000000 3.267267620000000 b 3.618412920000000 -3.618412920000000 3.267267620000000 c 3.618412920000000 3.618412920000000 -3.267267620000000 Atomic positions (fractional): 1 O 0.17881481015185 0.99627394240515 0.81745913225330 15.999 2 O 0.11135567789855 0.42881481015185 0.68254086774670 15.999 3 O 0.74627394240515 0.42881481015185 0.31745913225330 15.999 4 O 0.17881481015185 0.36135567789855 0.18254086774670 15.999 5 O 0.63864432210145 0.82118518984815 0.81745913225330 15.999 6 O 0.57118518984815 0.25372605759485 0.68254086774670 15.999 7 O 0.57118518984815 0.88864432210145 0.31745913225330 15.999 8 O 0.00372605759485 0.82118518984815 0.18254086774670 15.999 9 Ge 0.75000000000000 0.25000000000000 0.50000000000000 72.640 10 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 11 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 12 Th 0.25000000000000 0.75000000000000 0.50000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.236825840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.236825840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.069070480000001 Atomic positions (fractional): 1 O 0.31745913225330 0.50000000000000 0.33940740507592 15.999 > 1 2 O 0.31745913225330 0.50000000000000 0.83940740507593 15.999 > 1 3 O 0.50000000000000 0.18254086774670 0.46440740507592 15.999 > 3 4 O 0.50000000000000 0.18254086774670 0.96440740507593 15.999 > 3 5 O 0.00000000000000 0.31745913225330 0.21440740507593 15.999 > 5 6 O 0.00000000000000 0.31745913225330 0.71440740507593 15.999 > 5 7 O 0.68254086774670 0.50000000000000 0.33940740507592 15.999 > 7 8 O 0.68254086774670 0.50000000000000 0.83940740507593 15.999 > 7 9 O 0.00000000000000 0.81745913225330 0.41059259492408 15.999 > 9 10 O 0.00000000000000 0.81745913225330 0.91059259492407 15.999 > 9 11 O 0.18254086774670 0.50000000000000 0.03559259492408 15.999 > 11 12 O 0.18254086774670 0.50000000000000 0.53559259492407 15.999 > 11 13 O 0.31745913225330 0.00000000000000 0.28559259492408 15.999 > 13 14 O 0.31745913225330 0.00000000000000 0.78559259492407 15.999 > 13 15 O 0.00000000000000 0.18254086774670 0.41059259492408 15.999 > 15 16 O 0.00000000000000 0.18254086774670 0.91059259492407 15.999 > 15 17 O 0.81745913225330 0.00000000000000 0.08940740507592 15.999 > 1 18 O 0.81745913225330 0.00000000000000 0.58940740507593 15.999 > 1 19 O 0.00000000000000 0.68254086774670 0.21440740507593 15.999 > 3 20 O 0.00000000000000 0.68254086774670 0.71440740507593 15.999 > 3 21 O 0.50000000000000 0.81745913225330 0.46440740507592 15.999 > 5 22 O 0.50000000000000 0.81745913225330 0.96440740507593 15.999 > 5 23 O 0.18254086774670 0.00000000000000 0.08940740507592 15.999 > 7 24 O 0.18254086774670 0.00000000000000 0.58940740507593 15.999 > 7 25 O 0.50000000000000 0.31745913225330 0.16059259492407 15.999 > 9 26 O 0.50000000000000 0.31745913225330 0.66059259492407 15.999 > 9 27 O 0.68254086774670 0.00000000000000 0.28559259492408 15.999 > 11 28 O 0.68254086774670 0.00000000000000 0.78559259492407 15.999 > 11 29 O 0.81745913225330 0.50000000000000 0.03559259492408 15.999 > 13 30 O 0.81745913225330 0.50000000000000 0.53559259492407 15.999 > 13 31 O 0.50000000000000 0.68254086774670 0.16059259492407 15.999 > 15 32 O 0.50000000000000 0.68254086774670 0.66059259492407 15.999 > 15 33 Ge 0.50000000000000 0.00000000000000 0.37500000000000 72.640 > 33 34 Ge 0.50000000000000 0.00000000000000 0.87500000000000 72.640 > 33 35 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 35 36 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 35 37 Ge 0.00000000000000 0.50000000000000 0.12500000000000 72.640 > 33 38 Ge 0.00000000000000 0.50000000000000 0.62500000000000 72.640 > 33 39 Ge 0.50000000000000 0.50000000000000 0.25000000000000 72.640 > 35 40 Ge 0.50000000000000 0.50000000000000 0.75000000000000 72.640 > 35 41 Th 0.00000000000000 0.00000000000000 0.25000000000000 232.038 > 41 42 Th 0.00000000000000 0.00000000000000 0.75000000000000 232.038 > 41 43 Th 0.00000000000000 0.50000000000000 0.37500000000000 232.038 > 43 44 Th 0.00000000000000 0.50000000000000 0.87500000000000 232.038 > 43 45 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 41 46 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 41 47 Th 0.50000000000000 0.00000000000000 0.12500000000000 232.038 > 43 48 Th 0.50000000000000 0.00000000000000 0.62500000000000 232.038 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8822802 0.0000000 0.0000000 0.0000000 3.8822802 0.0000000 0.0000000 0.0000000 4.2165933 -------------------------- Born effective charges -------------------------- 1 O -3.4001085 0.0000000 0.3696099 0.0000000 -1.1167933 0.0000000 0.3089756 0.0000000 -2.4416757 2 O -1.1167933 0.0000000 0.0000000 0.0000000 -3.4001085 -0.3696099 0.0000000 -0.3089756 -2.4416757 3 O -1.1167933 0.0000000 0.0000000 0.0000000 -3.4001085 0.3696099 0.0000000 0.3089756 -2.4416757 4 O -3.4001085 0.0000000 -0.3696099 0.0000000 -1.1167933 0.0000000 -0.3089756 0.0000000 -2.4416757 5 O -1.1167933 0.0000000 0.0000000 0.0000000 -3.4001085 -0.3696099 0.0000000 -0.3089756 -2.4416757 6 O -3.4001085 0.0000000 0.3696099 0.0000000 -1.1167933 0.0000000 0.3089756 0.0000000 -2.4416757 7 O -3.4001085 0.0000000 -0.3696099 0.0000000 -1.1167933 0.0000000 -0.3089756 0.0000000 -2.4416757 8 O -1.1167933 0.0000000 0.0000000 0.0000000 -3.4001085 0.3696099 0.0000000 0.3089756 -2.4416757 9 Ge 3.1570231 0.0000000 0.0000000 0.0000000 3.1570231 0.0000000 0.0000000 0.0000000 4.2696746 10 Ge 3.1570231 0.0000000 0.0000000 0.0000000 3.1570231 0.0000000 0.0000000 0.0000000 4.2696746 11 Th 5.8767804 0.0000000 0.0000000 0.0000000 5.8767804 0.0000000 0.0000000 0.0000000 5.4970282 12 Th 5.8767804 0.0000000 0.0000000 0.0000000 5.8767804 0.0000000 0.0000000 0.0000000 5.4970282 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:27:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:27:11]------------------------- 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 -3.618412920000000 3.618412920000000 3.267267620000000 b 3.618412920000000 -3.618412920000000 3.267267620000000 c 3.618412920000000 3.618412920000000 -3.267267620000000 Atomic positions (fractional): 1 O 0.17881481015185 0.99627394240515 0.81745913225330 15.999 2 O 0.11135567789855 0.42881481015185 0.68254086774670 15.999 3 O 0.74627394240515 0.42881481015185 0.31745913225330 15.999 4 O 0.17881481015185 0.36135567789855 0.18254086774670 15.999 5 O 0.63864432210145 0.82118518984815 0.81745913225330 15.999 6 O 0.57118518984815 0.25372605759485 0.68254086774670 15.999 7 O 0.57118518984815 0.88864432210145 0.31745913225330 15.999 8 O 0.00372605759485 0.82118518984815 0.18254086774670 15.999 9 Ge 0.75000000000000 0.25000000000000 0.50000000000000 72.640 10 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 11 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 12 Th 0.25000000000000 0.75000000000000 0.50000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.236825840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.236825840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.069070480000001 Atomic positions (fractional): 1 O 0.31745913225330 0.50000000000000 0.33940740507592 15.999 > 1 2 O 0.31745913225330 0.50000000000000 0.83940740507593 15.999 > 1 3 O 0.50000000000000 0.18254086774670 0.46440740507592 15.999 > 3 4 O 0.50000000000000 0.18254086774670 0.96440740507593 15.999 > 3 5 O 0.00000000000000 0.31745913225330 0.21440740507593 15.999 > 5 6 O 0.00000000000000 0.31745913225330 0.71440740507593 15.999 > 5 7 O 0.68254086774670 0.50000000000000 0.33940740507592 15.999 > 7 8 O 0.68254086774670 0.50000000000000 0.83940740507593 15.999 > 7 9 O 0.00000000000000 0.81745913225330 0.41059259492408 15.999 > 9 10 O 0.00000000000000 0.81745913225330 0.91059259492407 15.999 > 9 11 O 0.18254086774670 0.50000000000000 0.03559259492408 15.999 > 11 12 O 0.18254086774670 0.50000000000000 0.53559259492407 15.999 > 11 13 O 0.31745913225330 0.00000000000000 0.28559259492408 15.999 > 13 14 O 0.31745913225330 0.00000000000000 0.78559259492407 15.999 > 13 15 O 0.00000000000000 0.18254086774670 0.41059259492408 15.999 > 15 16 O 0.00000000000000 0.18254086774670 0.91059259492407 15.999 > 15 17 O 0.81745913225330 0.00000000000000 0.08940740507592 15.999 > 1 18 O 0.81745913225330 0.00000000000000 0.58940740507593 15.999 > 1 19 O 0.00000000000000 0.68254086774670 0.21440740507593 15.999 > 3 20 O 0.00000000000000 0.68254086774670 0.71440740507593 15.999 > 3 21 O 0.50000000000000 0.81745913225330 0.46440740507592 15.999 > 5 22 O 0.50000000000000 0.81745913225330 0.96440740507593 15.999 > 5 23 O 0.18254086774670 0.00000000000000 0.08940740507592 15.999 > 7 24 O 0.18254086774670 0.00000000000000 0.58940740507593 15.999 > 7 25 O 0.50000000000000 0.31745913225330 0.16059259492407 15.999 > 9 26 O 0.50000000000000 0.31745913225330 0.66059259492407 15.999 > 9 27 O 0.68254086774670 0.00000000000000 0.28559259492408 15.999 > 11 28 O 0.68254086774670 0.00000000000000 0.78559259492407 15.999 > 11 29 O 0.81745913225330 0.50000000000000 0.03559259492408 15.999 > 13 30 O 0.81745913225330 0.50000000000000 0.53559259492407 15.999 > 13 31 O 0.50000000000000 0.68254086774670 0.16059259492407 15.999 > 15 32 O 0.50000000000000 0.68254086774670 0.66059259492407 15.999 > 15 33 Ge 0.50000000000000 0.00000000000000 0.37500000000000 72.640 > 33 34 Ge 0.50000000000000 0.00000000000000 0.87500000000000 72.640 > 33 35 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 35 36 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 35 37 Ge 0.00000000000000 0.50000000000000 0.12500000000000 72.640 > 33 38 Ge 0.00000000000000 0.50000000000000 0.62500000000000 72.640 > 33 39 Ge 0.50000000000000 0.50000000000000 0.25000000000000 72.640 > 35 40 Ge 0.50000000000000 0.50000000000000 0.75000000000000 72.640 > 35 41 Th 0.00000000000000 0.00000000000000 0.25000000000000 232.038 > 41 42 Th 0.00000000000000 0.00000000000000 0.75000000000000 232.038 > 41 43 Th 0.00000000000000 0.50000000000000 0.37500000000000 232.038 > 43 44 Th 0.00000000000000 0.50000000000000 0.87500000000000 232.038 > 43 45 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 41 46 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 41 47 Th 0.50000000000000 0.00000000000000 0.12500000000000 232.038 > 43 48 Th 0.50000000000000 0.00000000000000 0.62500000000000 232.038 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8822802 0.0000000 0.0000000 0.0000000 3.8822802 0.0000000 0.0000000 0.0000000 4.2165933 -------------------------- Born effective charges -------------------------- 1 O -3.4001085 0.0000000 0.3696099 0.0000000 -1.1167933 0.0000000 0.3089756 0.0000000 -2.4416757 2 O -1.1167933 0.0000000 0.0000000 0.0000000 -3.4001085 -0.3696099 0.0000000 -0.3089756 -2.4416757 3 O -1.1167933 0.0000000 0.0000000 0.0000000 -3.4001085 0.3696099 0.0000000 0.3089756 -2.4416757 4 O -3.4001085 0.0000000 -0.3696099 0.0000000 -1.1167933 0.0000000 -0.3089756 0.0000000 -2.4416757 5 O -1.1167933 0.0000000 0.0000000 0.0000000 -3.4001085 -0.3696099 0.0000000 -0.3089756 -2.4416757 6 O -3.4001085 0.0000000 0.3696099 0.0000000 -1.1167933 0.0000000 0.3089756 0.0000000 -2.4416757 7 O -3.4001085 0.0000000 -0.3696099 0.0000000 -1.1167933 0.0000000 -0.3089756 0.0000000 -2.4416757 8 O -1.1167933 0.0000000 0.0000000 0.0000000 -3.4001085 0.3696099 0.0000000 0.3089756 -2.4416757 9 Ge 3.1570231 0.0000000 0.0000000 0.0000000 3.1570231 0.0000000 0.0000000 0.0000000 4.2696746 10 Ge 3.1570231 0.0000000 0.0000000 0.0000000 3.1570231 0.0000000 0.0000000 0.0000000 4.2696746 11 Th 5.8767804 0.0000000 0.0000000 0.0000000 5.8767804 0.0000000 0.0000000 0.0000000 5.4970282 12 Th 5.8767804 0.0000000 0.0000000 0.0000000 5.8767804 0.0000000 0.0000000 0.0000000 5.4970282 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.16 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 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 3.052 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 -0.000 -0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 4.978 ( -0.000 -0.000 0.000) 0.000 4.978 ( 0.000 0.000 -0.000) 0.000 5.320 ( 0.000 0.000 -0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 -0.000 -0.000) 0.000 5.704 ( 0.000 -0.000 -0.000) 0.000 7.063 ( -0.000 0.000 -0.000) 0.000 7.107 ( 0.000 0.000 -0.000) 0.000 7.107 ( -0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 -0.000) 0.000 8.145 ( 0.000 0.000 -0.000) 0.000 8.145 ( 0.000 0.000 -0.000) 0.000 8.784 ( 0.000 0.000 0.000) 0.000 8.784 ( -0.000 -0.000 0.000) 0.000 9.213 ( 0.000 0.000 0.000) 0.000 10.797 ( 0.000 0.000 0.000) 0.000 11.370 ( 0.000 0.000 -0.000) 0.000 11.536 ( -0.000 -0.000 0.000) 0.000 11.536 ( -0.000 -0.000 0.000) 0.000 12.946 ( 0.000 -0.000 0.000) 0.000 14.542 ( 0.000 0.000 0.000) 0.000 19.369 ( -0.000 0.000 0.000) 0.000 19.369 ( 0.000 0.000 -0.000) 0.000 20.447 ( 0.000 0.000 0.000) 0.000 20.447 ( 0.000 0.000 0.000) 0.000 21.269 ( 0.000 -0.000 0.000) 0.000 22.254 ( 0.000 -0.000 0.000) 0.000 23.811 ( 0.000 -0.000 0.000) 0.000 24.082 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.000 6.155 22.815) 23.631 0.776 ( 0.000 34.225 19.701) 39.490 1.230 ( 0.000 27.557 53.910) 60.544 3.034 ( -0.000 -1.180 0.623) 1.335 3.165 ( 0.000 8.908 -0.455) 8.920 3.203 ( 0.000 10.582 0.844) 10.615 3.437 ( 0.000 -2.062 10.598) 10.797 4.805 ( -0.000 0.302 -16.997) 17.000 4.849 ( -0.000 2.608 -16.219) 16.427 5.473 ( 0.000 -0.084 13.051) 13.051 5.480 ( 0.000 0.623 3.500) 3.555 5.730 ( -0.000 22.634 -17.482) 28.599 5.758 ( 0.000 3.902 3.742) 5.407 7.037 ( -0.000 -5.134 -3.677) 6.315 7.077 ( -0.000 0.333 -3.817) 3.831 7.181 ( -0.000 -0.315 -4.857) 4.867 7.922 ( 0.000 -33.537 32.139) 46.450 8.145 ( 0.000 -1.352 1.162) 1.783 8.250 ( 0.000 -11.173 9.519) 14.678 8.865 ( 0.000 -0.473 9.994) 10.005 9.151 ( -0.000 -4.522 -3.457) 5.692 9.802 ( -0.000 49.999 -47.830) 69.193 10.832 ( 0.000 6.411 -1.357) 6.554 11.469 ( -0.000 -4.948 -4.126) 6.443 11.512 ( -0.000 1.499 -4.469) 4.714 12.784 ( -0.000 -1.324 -17.828) 17.877 13.261 ( 0.000 -72.983 70.041) 101.155 14.624 ( 0.000 -4.699 13.221) 14.032 19.371 ( 0.000 -0.065 0.278) 0.285 20.216 ( -0.000 47.234 -44.841) 65.129 20.445 ( -0.000 -0.081 -0.229) 0.243 20.476 ( -0.000 20.754 -15.571) 25.946 22.221 ( -0.000 -0.448 -3.581) 3.609 23.799 ( -0.000 -2.982 -0.272) 2.994 23.916 ( -0.000 2.366 -7.868) 8.216 24.159 ( 0.000 -14.680 19.551) 24.449 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.000 5.875 21.767) 22.546 1.543 ( 0.000 31.500 20.719) 37.703 2.380 ( 0.000 25.202 47.132) 53.446 3.035 ( -0.000 1.341 -1.469) 1.989 3.336 ( 0.000 16.245 0.312) 16.248 3.403 ( 0.000 13.901 2.761) 14.173 3.598 ( 0.000 -4.404 14.756) 15.399 4.548 ( -0.000 -0.430 -15.349) 15.355 4.645 ( -0.000 3.282 -13.559) 13.950 5.541 ( 0.000 0.442 4.536) 4.557 5.657 ( 0.000 -0.234 9.098) 9.101 5.706 ( -0.000 -3.661 -4.321) 5.663 5.934 ( 0.000 8.314 7.784) 11.389 6.906 ( -0.000 -3.531 -3.448) 4.935 7.019 ( -0.000 1.377 -4.570) 4.773 7.086 ( -0.000 0.401 -7.049) 7.061 7.922 ( -0.000 -17.019 12.229) 20.956 8.140 ( -0.000 -2.717 1.667) 3.187 8.215 ( -0.000 -8.579 3.644) 9.320 8.902 ( -0.000 -10.010 -3.619) 10.644 9.141 ( 0.000 0.489 13.210) 13.219 9.769 ( -0.000 20.639 -19.505) 28.397 10.921 ( 0.000 11.227 -3.701) 11.821 11.280 ( -0.000 -9.538 -6.922) 11.785 11.443 ( -0.000 2.588 -8.095) 8.499 12.440 ( -0.000 -2.087 -21.913) 22.012 13.350 ( 0.000 -29.614 34.086) 45.153 14.755 ( 0.000 -8.280 14.112) 16.362 19.374 ( 0.000 -0.152 0.328) 0.362 20.188 ( -0.000 11.500 -11.443) 16.223 20.440 ( -0.000 -0.078 -0.259) 0.271 20.526 ( -0.000 23.765 -18.464) 30.095 22.146 ( -0.000 0.170 -5.399) 5.401 23.688 ( -0.000 -5.793 -4.854) 7.558 23.876 ( -0.000 5.634 -6.002) 8.232 24.251 ( 0.000 -11.720 16.128) 19.937 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.000 5.014 19.047) 19.696 2.262 ( 0.000 25.758 20.630) 33.001 3.006 ( -0.000 1.699 -5.403) 5.664 3.257 ( 0.000 21.717 18.793) 28.719 3.649 ( 0.000 8.259 11.139) 13.867 3.653 ( 0.000 13.625 4.331) 14.297 3.761 ( 0.000 5.756 16.495) 17.471 4.343 ( -0.000 -1.003 -9.888) 9.939 4.562 ( -0.000 3.120 -3.033) 4.351 5.478 ( -0.000 -17.815 -5.412) 18.619 5.622 ( 0.000 -0.072 5.442) 5.443 5.752 ( 0.000 -0.183 4.219) 4.223 6.180 ( 0.000 9.459 6.411) 11.427 6.878 ( 0.000 3.911 -0.879) 4.009 6.995 ( -0.000 1.216 -5.199) 5.339 7.006 ( 0.000 4.151 -0.905) 4.248 7.790 ( -0.000 -13.997 -2.050) 14.147 8.111 ( -0.000 -4.851 0.737) 4.907 8.150 ( -0.000 -5.705 2.047) 6.061 8.638 ( -0.000 -11.644 -8.394) 14.354 9.401 ( 0.000 0.260 17.322) 17.324 9.784 ( 0.000 9.572 -6.052) 11.325 10.907 ( -0.000 -2.402 -13.634) 13.844 11.120 ( 0.000 2.300 0.635) 2.386 11.342 ( -0.000 2.871 -9.702) 10.118 12.102 ( -0.000 -2.391 -17.311) 17.476 13.478 ( 0.000 -12.951 20.621) 24.351 14.806 ( 0.000 -9.579 8.773) 12.990 19.376 ( 0.000 -0.210 0.176) 0.274 20.191 ( 0.000 2.731 -1.024) 2.916 20.436 ( -0.000 -0.014 -0.119) 0.120 20.557 ( -0.000 19.126 -16.560) 25.299 22.075 ( -0.000 1.496 -5.087) 5.302 23.531 ( -0.000 -6.036 -4.127) 7.312 23.857 ( -0.000 2.888 -4.413) 5.274 24.326 ( 0.000 -7.646 11.085) 13.466 ======================= Grid point 4 (5/102) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.000 3.147 12.614) 13.000 2.844 ( 0.000 16.070 15.892) 22.601 2.924 ( -0.000 0.672 -6.447) 6.482 3.566 ( 0.000 3.685 -0.674) 3.746 3.763 ( 0.000 12.678 1.069) 12.723 3.890 ( 0.000 9.939 4.649) 10.972 4.210 ( -0.000 -2.058 -5.451) 5.826 4.330 ( 0.000 11.098 23.092) 25.620 4.608 ( 0.000 2.714 2.790) 3.892 5.100 ( -0.000 -21.761 -5.583) 22.466 5.697 ( 0.000 -0.471 4.465) 4.489 5.790 ( 0.000 0.107 0.944) 0.950 6.346 ( 0.000 5.360 1.489) 5.563 6.895 ( -0.000 2.884 -3.482) 4.521 7.039 ( 0.000 6.483 3.318) 7.283 7.126 ( 0.000 8.122 4.716) 9.393 7.504 ( -0.000 -11.484 -10.129) 15.312 7.997 ( -0.000 -9.175 -3.403) 9.786 8.136 ( 0.000 -2.723 3.366) 4.330 8.398 ( -0.000 -5.971 -4.883) 7.714 9.634 ( 0.000 -0.204 11.960) 11.962 9.831 ( 0.000 4.413 -1.070) 4.540 10.613 ( -0.000 -8.093 -10.289) 13.091 11.219 ( 0.000 6.338 0.953) 6.409 11.240 ( -0.000 2.001 -7.346) 7.614 11.861 ( -0.000 -2.158 -9.594) 9.834 13.606 ( 0.000 -4.196 10.790) 11.577 14.776 ( -0.000 -6.943 3.172) 7.634 19.374 ( -0.000 -0.158 0.032) 0.161 20.226 ( 0.000 0.010 2.677) 2.677 20.435 ( 0.000 0.024 -0.003) 0.024 20.549 ( -0.000 10.847 -11.184) 15.581 22.036 ( -0.000 1.761 -3.087) 3.554 23.412 ( -0.000 -4.182 -1.790) 4.549 23.826 ( -0.000 0.881 -2.690) 2.830 24.375 ( 0.000 -3.660 5.519) 6.623 ======================= Grid point 5 (6/102) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 4.033 ( -0.000 0.000 -0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 6.389 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.255 ( -0.000 -0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 0.000 0.000) 0.000 8.327 ( 0.000 0.000 0.000) 0.000 9.730 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 -0.000 0.000) 0.000 10.462 ( 0.000 0.000 0.000) 0.000 11.194 ( 0.000 0.000 0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 11.767 ( 0.000 0.000 0.000) 0.000 13.665 ( 0.000 0.000 0.000) 0.000 14.746 ( 0.000 0.000 0.000) 0.000 19.373 ( 0.000 0.000 0.000) 0.000 20.252 ( 0.000 -0.000 0.000) 0.000 20.436 ( 0.000 0.000 0.000) 0.000 20.533 ( 0.000 0.000 -0.000) 0.000 22.025 ( 0.000 0.000 0.000) 0.000 23.369 ( 0.000 0.000 0.000) 0.000 23.810 ( 0.000 0.000 0.000) 0.000 24.393 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 16.865 16.865 19.352) 30.715 1.112 ( 20.516 20.516 18.039) 34.165 2.199 ( 8.818 8.818 57.003) 58.351 3.067 ( 2.057 2.057 1.528) 3.286 3.172 ( 6.358 6.358 -2.509) 9.334 3.311 ( 9.417 9.417 3.215) 13.701 3.627 ( -2.836 -2.836 15.281) 15.799 4.577 ( 1.030 1.030 -12.473) 12.558 4.586 ( 1.048 1.048 -16.558) 16.624 5.537 ( 0.209 0.209 4.647) 4.656 5.605 ( -4.381 -4.381 9.961) 11.731 5.776 ( 5.874 5.874 0.477) 8.321 5.870 ( 3.866 3.866 7.281) 9.105 6.954 ( -2.443 -2.443 -6.178) 7.078 6.987 ( -0.559 -0.559 -4.087) 4.162 7.085 ( 1.038 1.038 -7.698) 7.836 8.055 ( -10.077 -10.077 7.841) 16.266 8.149 ( -2.051 -2.051 1.532) 3.280 8.315 ( -8.291 -8.291 3.820) 12.332 8.977 ( -5.681 -5.681 -1.645) 8.201 9.131 ( 0.480 0.480 11.112) 11.133 9.568 ( 18.584 18.584 -14.791) 30.158 10.845 ( 6.036 6.036 -2.794) 8.981 11.371 ( -2.558 -2.558 -7.635) 8.449 11.400 ( -0.332 -0.332 -7.864) 7.878 12.454 ( -0.888 -0.888 -22.282) 22.318 13.630 ( -27.779 -27.779 28.630) 48.611 14.810 ( -4.735 -4.735 13.722) 15.268 19.357 ( -1.348 -1.348 0.353) 1.939 19.995 ( 29.245 29.245 -22.625) 47.142 20.335 ( -4.605 -4.605 -3.040) 7.186 20.538 ( 6.925 6.925 0.256) 9.796 22.149 ( 0.984 0.984 -6.458) 6.606 23.755 ( 2.069 2.069 -10.882) 11.269 23.803 ( -0.789 -0.789 -0.324) 1.161 24.339 ( -10.108 -10.108 15.542) 21.116 ======================= Grid point 13 (8/102) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 28.854 3.646 18.558) 34.500 1.855 ( 2.926 34.917 17.745) 39.277 2.929 ( -2.953 4.344 10.467) 11.711 3.168 ( 12.885 5.398 6.904) 15.583 3.401 ( 0.092 17.215 19.709) 26.168 3.550 ( 8.613 12.779 9.899) 18.315 3.771 ( -4.065 -5.433 9.992) 12.078 4.375 ( 1.084 -1.671 -9.225) 9.438 4.505 ( 0.851 4.780 -3.099) 5.760 5.590 ( -6.630 -7.289 2.587) 10.187 5.644 ( -0.008 -2.530 4.934) 5.544 5.804 ( 3.546 -1.057 0.215) 3.707 6.066 ( 1.785 7.357 7.287) 10.508 6.842 ( -1.100 0.017 -3.964) 4.114 6.960 ( 1.048 3.020 -1.424) 3.500 6.991 ( 1.836 1.840 -6.706) 7.192 7.942 ( -4.902 -11.509 -4.059) 13.151 8.134 ( -3.488 -3.566 1.169) 5.124 8.229 ( -0.247 -4.090 -0.899) 4.195 8.757 ( -4.689 -9.408 -9.708) 14.309 9.385 ( -1.008 0.388 17.057) 17.091 9.657 ( 3.941 10.039 -1.842) 10.941 10.888 ( 5.692 7.790 -6.499) 11.633 11.180 ( 0.767 -6.051 -5.944) 8.517 11.288 ( -2.327 2.357 -8.921) 9.516 12.124 ( -0.519 -1.329 -17.905) 17.962 13.656 ( -9.388 -18.609 18.500) 27.869 14.887 ( -5.310 -7.790 7.438) 12.008 19.350 ( -3.027 -0.452 0.263) 3.072 20.092 ( 16.127 22.670 -13.539) 30.941 20.235 ( -11.858 -2.781 -3.246) 12.605 20.645 ( 15.109 7.304 0.859) 16.804 22.067 ( 0.579 0.592 -5.204) 5.269 23.613 ( 2.964 -1.954 -7.233) 8.058 23.794 ( -2.360 2.301 -2.843) 4.353 24.400 ( -8.302 -11.079 12.030) 18.341 ======================= Grid point 14 (9/102) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 26.652 2.636 14.303) 30.362 2.558 ( 1.311 26.038 16.488) 30.847 2.945 ( 3.585 2.567 -4.570) 6.350 3.345 ( 1.066 17.958 -4.127) 18.457 3.750 ( -1.847 -4.480 2.883) 5.638 3.778 ( 3.198 8.502 7.515) 11.790 4.177 ( 3.531 13.096 29.909) 32.841 4.251 ( 0.380 -2.993 -3.346) 4.505 4.571 ( 1.701 4.200 1.543) 4.787 5.361 ( -5.193 -19.277 -4.561) 20.478 5.718 ( 1.377 -1.039 5.784) 6.036 5.787 ( -0.764 -0.710 -0.933) 1.400 6.260 ( 0.900 7.071 4.092) 8.219 6.848 ( 0.512 4.964 -1.196) 5.132 6.959 ( 0.167 3.942 -0.737) 4.014 7.039 ( 2.667 6.400 2.880) 7.508 7.646 ( -1.416 -9.595 -13.108) 16.306 8.069 ( -4.736 -6.647 -1.631) 8.323 8.190 ( 0.879 -3.170 1.674) 3.691 8.476 ( -3.054 -7.786 -9.119) 12.374 9.611 ( -3.137 -0.074 10.942) 11.383 9.753 ( -0.110 4.745 0.476) 4.770 10.752 ( 3.801 -5.828 -10.242) 12.382 11.157 ( 2.900 5.182 1.671) 6.168 11.204 ( -0.913 2.317 -5.546) 6.079 11.887 ( -0.193 -1.575 -10.252) 10.374 13.690 ( -3.017 -9.664 10.999) 14.949 14.831 ( -6.180 -7.643 -0.042) 9.829 19.349 ( -3.301 -0.206 0.133) 3.310 20.144 ( -5.672 11.706 -14.257) 19.299 20.209 ( 0.215 2.288 3.834) 4.470 20.763 ( 22.940 6.812 1.530) 23.978 22.018 ( -0.611 0.071 -1.573) 1.689 23.486 ( 2.021 -4.044 -3.721) 5.856 23.779 ( -2.195 3.134 -3.924) 5.481 24.409 ( -8.137 -9.391 7.712) 14.624 ======================= Grid point 15 (10/102) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 26.518 -0.108 3.317) 26.725 2.848 ( -1.916 0.602 1.647) 2.597 3.103 ( 7.856 10.023 8.019) 15.049 3.486 ( -3.060 7.419 -6.263) 10.180 3.759 ( -0.335 14.359 -1.543) 14.446 4.004 ( 2.072 4.521 8.021) 9.437 4.167 ( 0.283 -4.956 -0.833) 5.033 4.565 ( 1.980 1.791 2.413) 3.599 4.670 ( 1.712 4.620 4.917) 6.961 5.006 ( -3.225 -19.658 -3.857) 20.290 5.748 ( -0.898 0.017 -3.023) 3.154 5.778 ( -0.688 -1.584 3.708) 4.090 6.373 ( 1.188 3.040 1.734) 3.696 6.899 ( 3.064 2.343 1.308) 4.073 7.091 ( -0.794 9.052 3.843) 9.866 7.191 ( -1.132 5.442 3.417) 6.525 7.352 ( 1.630 -6.356 -8.226) 10.523 7.885 ( -4.920 -7.485 -6.367) 10.989 8.173 ( 0.792 -2.273 0.208) 2.416 8.324 ( -1.736 -1.242 -2.910) 3.609 9.693 ( -4.650 0.392 -0.758) 4.728 9.802 ( -1.264 4.071 -1.720) 4.596 10.556 ( 4.240 -6.563 -1.287) 7.919 11.189 ( -0.268 0.476 1.822) 1.902 11.276 ( 3.520 3.835 3.115) 6.067 11.774 ( -0.084 -1.001 -1.563) 1.858 13.699 ( -0.283 -4.785 2.087) 5.228 14.711 ( -7.160 -2.571 -5.014) 9.111 19.348 ( -3.125 -0.119 0.044) 3.127 20.082 ( -14.304 7.477 -10.551) 19.283 20.314 ( 4.582 2.001 5.485) 7.422 20.870 ( 27.970 3.200 3.236) 28.338 22.021 ( -1.795 -1.293 2.846) 3.604 23.397 ( 1.021 -2.891 -1.363) 3.355 23.771 ( -1.927 3.516 -2.804) 4.893 24.378 ( -8.422 -6.673 2.864) 11.120 ======================= Grid point 16 (11/102) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 26.907 -3.419 -9.292) 28.671 2.885 ( -3.276 -3.347 1.655) 4.967 3.116 ( 10.269 -6.691 -5.546) 13.453 3.491 ( -2.643 6.575 -1.871) 7.329 3.928 ( 0.106 1.064 -0.689) 1.273 4.026 ( 0.644 -9.566 -0.703) 9.613 4.197 ( 0.829 1.119 8.664) 8.775 4.465 ( 1.138 -7.725 -13.959) 15.995 4.646 ( 1.281 -1.311 -6.853) 7.094 4.854 ( -2.941 6.042 2.537) 7.182 5.689 ( -1.331 0.861 -5.113) 5.353 5.795 ( 0.161 -1.570 1.265) 2.023 6.401 ( 0.780 -2.058 0.570) 2.274 6.945 ( 3.206 -1.215 3.739) 5.073 7.126 ( 0.612 -4.543 -4.672) 6.546 7.216 ( -1.912 -6.003 -3.497) 7.206 7.349 ( -0.028 10.347 6.488) 12.213 7.840 ( -4.468 7.623 1.402) 8.947 8.122 ( 0.805 0.007 -4.063) 4.142 8.322 ( -1.650 3.166 0.954) 3.696 9.604 ( -3.499 0.448 -11.090) 11.637 9.824 ( -2.377 2.971 -1.465) 4.077 10.581 ( 4.508 0.853 9.977) 10.981 11.261 ( -0.629 -1.814 8.236) 8.457 11.319 ( 3.872 -3.625 1.954) 5.653 11.831 ( -0.319 1.800 8.279) 8.478 13.596 ( 0.270 -2.729 -8.933) 9.344 14.637 ( -7.305 5.595 -7.282) 11.734 19.347 ( -3.130 -0.055 -0.028) 3.130 20.034 ( -15.212 7.152 -8.770) 18.959 20.426 ( 6.905 -0.749 7.789) 10.435 20.946 ( 27.100 -3.771 7.127) 28.274 22.059 ( -2.142 -3.529 6.190) 7.441 23.377 ( 0.810 1.624 0.289) 1.838 23.795 ( -1.728 3.611 -0.417) 4.025 24.311 ( -8.863 -3.699 -2.285) 9.872 ======================= Grid point 17 (12/102) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 28.940 -5.606 -14.845) 33.005 2.563 ( 2.237 -15.960 -20.871) 26.369 3.082 ( 6.054 -4.339 6.268) 9.735 3.497 ( -2.088 -1.615 -7.183) 7.653 3.733 ( 1.881 -18.120 -6.127) 19.220 3.852 ( 1.268 -13.736 -3.641) 14.267 3.963 ( 1.908 -12.947 -20.769) 24.548 4.351 ( 1.458 -0.707 11.978) 12.087 4.578 ( 0.012 0.554 -0.853) 1.017 5.153 ( -6.358 20.452 5.582) 22.133 5.620 ( -0.205 0.914 -5.459) 5.539 5.777 ( 2.163 -0.319 -1.511) 2.657 6.308 ( 0.803 -8.357 -3.848) 9.235 6.940 ( -1.075 -6.265 -1.074) 6.447 7.025 ( 1.875 -1.365 2.811) 3.645 7.078 ( 0.990 -4.799 -1.968) 5.281 7.586 ( -1.574 13.201 0.337) 13.299 7.981 ( -5.315 7.527 -0.346) 9.221 8.093 ( 1.369 4.787 -3.211) 5.924 8.463 ( -2.558 9.941 5.789) 11.784 9.391 ( -1.398 0.058 -16.269) 16.329 9.853 ( -2.274 -1.274 4.650) 5.331 10.841 ( 3.574 7.260 14.247) 16.384 11.252 ( 4.545 -9.319 1.760) 10.517 11.370 ( -1.820 -3.270 9.987) 10.666 12.059 ( -0.546 3.228 16.289) 16.615 13.365 ( -0.992 1.376 -19.416) 19.490 14.620 ( -6.472 10.750 -10.777) 16.541 19.346 ( -3.384 -0.006 -0.141) 3.387 20.018 ( -14.290 7.215 -6.086) 17.126 20.525 ( 12.555 -1.903 7.337) 14.665 20.988 ( 19.906 -13.893 14.591) 28.322 22.107 ( -1.067 -3.897 6.806) 7.915 23.454 ( 1.420 6.538 2.133) 7.022 23.852 ( -1.575 2.556 1.988) 3.600 24.205 ( -9.513 -0.557 -7.872) 12.360 ======================= Grid point 18 (13/102) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 33.631 -7.007 -14.996) 37.484 1.940 ( 6.254 -20.820 -25.762) 33.708 2.822 ( 0.419 -34.323 -25.918) 43.011 3.145 ( 9.555 -5.663 -1.043) 11.156 3.503 ( -3.425 5.249 -13.899) 15.247 3.573 ( 0.675 -18.161 0.035) 18.174 3.665 ( 5.983 -14.586 -2.445) 15.954 4.560 ( 1.499 -0.353 15.917) 15.991 4.651 ( -1.832 0.568 9.539) 9.730 5.430 ( -12.626 9.986 -1.541) 16.172 5.553 ( 0.370 0.362 -4.343) 4.374 5.780 ( 7.531 4.000 1.271) 8.622 6.082 ( 2.991 -10.514 -6.222) 12.578 6.879 ( -0.288 0.077 0.544) 0.620 7.023 ( -1.723 -1.978 2.134) 3.381 7.100 ( 1.381 -0.053 5.003) 5.190 7.672 ( -3.522 13.766 -14.207) 20.093 8.047 ( -4.489 5.709 -1.894) 7.505 8.131 ( 0.928 5.849 -2.488) 6.423 8.722 ( -3.522 11.811 5.970) 13.694 9.141 ( -0.230 -0.166 -14.972) 14.975 9.964 ( -0.436 -5.727 17.232) 18.165 11.110 ( 1.394 1.595 -3.360) 3.972 11.175 ( 6.139 -4.877 16.162) 17.963 11.464 ( -2.809 -3.523 8.164) 9.325 12.397 ( -0.719 3.351 21.006) 21.283 13.046 ( -3.653 8.032 -31.248) 32.470 14.579 ( -5.587 11.386 -14.842) 19.523 19.343 ( -3.529 0.070 -0.246) 3.539 20.052 ( -13.004 7.792 -2.941) 15.442 20.590 ( 18.109 -1.436 3.948) 18.590 21.028 ( 12.253 -25.532 27.289) 39.328 22.163 ( 1.455 -0.788 4.853) 5.127 23.601 ( 1.594 8.877 2.035) 9.245 23.921 ( -1.485 -1.227 5.587) 5.910 24.056 ( -10.336 4.006 -14.363) 18.143 ======================= Grid point 19 (14/102) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 38.193 -8.905 -10.059) 40.487 1.236 ( 14.764 -20.903 -26.750) 37.020 1.829 ( 5.388 -46.096 -25.540) 52.973 3.086 ( 5.278 -3.662 -0.196) 6.427 3.351 ( 3.541 -14.688 0.779) 15.129 3.376 ( -2.701 3.961 -10.107) 11.186 3.440 ( 7.632 -13.451 -1.085) 15.503 4.804 ( -1.246 -0.219 16.046) 16.096 4.858 ( 0.365 1.048 13.249) 13.295 5.377 ( -9.941 2.170 -12.653) 16.236 5.491 ( 0.321 -0.601 -2.683) 2.768 5.827 ( 0.267 -4.161 -3.745) 5.604 6.023 ( 10.835 -3.413 20.825) 23.722 6.957 ( 0.631 6.253 2.463) 6.750 7.050 ( -4.339 -0.829 3.007) 5.344 7.171 ( -0.122 0.914 3.241) 3.369 7.514 ( -6.309 13.769 -32.510) 35.865 8.089 ( -3.187 3.870 -1.218) 5.159 8.167 ( 0.039 4.731 -2.475) 5.340 8.851 ( -0.166 1.593 -5.689) 5.910 9.037 ( -3.802 7.026 -0.226) 7.992 10.262 ( 2.995 -9.022 37.443) 38.630 10.990 ( 4.076 -6.835 -1.601) 8.118 11.391 ( 2.522 3.363 7.622) 8.704 11.517 ( -3.157 -2.746 4.385) 6.061 12.567 ( -6.504 13.271 -51.643) 53.716 12.757 ( -1.682 2.012 16.468) 16.676 14.494 ( -5.023 9.036 -13.484) 16.991 19.342 ( -3.067 0.339 -0.218) 3.093 20.144 ( -12.069 9.000 -0.265) 15.057 20.597 ( 15.404 -2.680 0.485) 15.643 21.169 ( 13.706 -30.179 43.613) 54.779 22.230 ( 4.486 2.587 1.976) 5.543 23.720 ( -1.649 9.662 -5.315) 11.150 23.856 ( -9.768 0.374 -12.233) 15.659 24.019 ( -0.822 1.482 4.538) 4.844 ======================= Grid point 20 (15/102) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 20.523 -20.523 -0.000) 29.025 0.774 ( 27.921 -27.921 -0.000) 39.487 0.923 ( 32.997 -32.997 -0.000) 46.664 3.043 ( 1.927 -1.927 -0.000) 2.725 3.204 ( 6.884 -6.884 -0.000) 9.736 3.273 ( 9.167 -9.167 -0.000) 12.963 3.335 ( -2.162 2.162 0.000) 3.058 4.979 ( 0.048 -0.048 -0.000) 0.068 4.980 ( 0.066 -0.066 -0.000) 0.093 5.259 ( -4.345 4.345 0.000) 6.145 5.463 ( 0.483 -0.483 -0.000) 0.682 5.740 ( 2.396 -2.396 -0.000) 3.389 6.457 ( -3.357 3.357 0.000) 4.747 7.045 ( -1.284 1.284 0.000) 1.816 7.070 ( -2.528 2.528 0.000) 3.576 7.104 ( -0.092 0.092 0.000) 0.129 7.212 ( -0.832 0.832 0.000) 1.177 8.120 ( -2.008 2.008 0.000) 2.839 8.189 ( -1.494 1.494 0.000) 2.113 8.787 ( 0.417 -0.417 -0.000) 0.590 9.144 ( -4.982 4.982 0.000) 7.045 10.802 ( 0.692 -0.692 -0.000) 0.978 11.062 ( -14.227 14.227 0.000) 20.121 11.383 ( 7.612 -7.612 -0.000) 10.765 11.530 ( -0.436 0.436 0.000) 0.617 11.791 ( 10.507 -10.507 -0.000) 14.860 12.930 ( -1.138 1.138 0.000) 1.610 14.474 ( -4.884 4.884 0.000) 6.908 19.350 ( -1.303 1.303 0.000) 1.843 20.280 ( -10.079 10.079 0.000) 14.254 20.536 ( 6.339 -6.339 -0.000) 8.965 21.433 ( 9.874 -9.874 -0.000) 13.964 22.274 ( 1.365 -1.365 -0.000) 1.930 23.647 ( -6.499 6.499 0.000) 9.192 23.801 ( -0.697 0.697 0.000) 0.986 24.085 ( -0.078 0.078 0.000) 0.110 ======================= Grid point 23 (16/102) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 16.680 16.680 16.492) 28.782 2.203 ( 21.143 21.143 14.403) 33.189 2.946 ( 1.847 1.847 -3.122) 4.070 3.229 ( 8.249 8.249 -7.113) 13.664 3.728 ( 7.536 7.536 10.650) 15.067 3.783 ( -5.413 -5.413 1.529) 7.806 4.104 ( 9.634 9.634 33.515) 36.179 4.280 ( -1.689 -1.689 -2.654) 3.570 4.551 ( 3.820 3.820 1.733) 5.673 5.460 ( -11.892 -11.892 -2.619) 17.020 5.745 ( 0.566 0.566 6.077) 6.129 5.785 ( -1.691 -1.691 -3.213) 4.006 6.210 ( 4.944 4.944 5.509) 8.901 6.805 ( 1.545 1.545 0.184) 2.192 6.939 ( 2.343 2.343 -3.361) 4.720 7.015 ( 5.144 5.144 2.167) 7.591 7.707 ( -5.478 -5.478 -14.450) 16.395 8.078 ( -5.735 -5.735 -0.975) 8.168 8.220 ( -1.059 -1.059 1.010) 1.807 8.511 ( -6.381 -6.381 -10.809) 14.081 9.582 ( -1.781 -1.781 9.949) 10.263 9.719 ( 1.586 1.586 2.644) 3.468 10.827 ( 2.203 2.203 -10.153) 10.621 11.158 ( 3.310 3.310 0.387) 4.697 11.161 ( -0.002 -0.002 -3.649) 3.649 11.897 ( -0.705 -0.705 -10.437) 10.485 13.745 ( -8.468 -8.468 10.683) 16.048 14.836 ( -8.246 -8.246 -1.331) 11.737 19.321 ( -1.809 -1.809 0.451) 2.597 20.014 ( 0.424 0.424 -11.823) 11.838 20.202 ( 8.748 8.748 0.521) 12.383 20.881 ( 14.747 14.747 2.661) 21.025 22.015 ( -0.355 -0.355 -1.507) 1.589 23.545 ( 1.330 1.330 -5.809) 6.106 23.722 ( -1.523 -1.523 -2.804) 3.536 24.416 ( -11.416 -11.416 8.474) 18.233 ======================= Grid point 24 (17/102) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 36.808 0.592 7.727) 37.615 2.784 ( 2.371 14.584 9.238) 17.426 2.972 ( 2.638 18.121 0.504) 18.318 3.271 ( 2.333 11.097 -4.741) 12.291 3.691 ( -1.946 -1.914 -5.786) 6.398 3.980 ( 3.884 4.775 10.770) 12.405 4.232 ( -1.115 -4.203 1.134) 4.493 4.577 ( 4.196 2.381 2.992) 5.677 4.621 ( 3.016 6.756 8.355) 11.160 5.195 ( -9.314 -17.797 -3.917) 20.466 5.699 ( -4.205 -1.043 -4.751) 6.430 5.824 ( 1.058 -1.675 4.678) 5.080 6.354 ( 4.620 5.225 3.378) 7.749 6.890 ( 2.305 4.861 3.890) 6.639 6.972 ( 0.747 4.810 1.937) 5.239 7.136 ( 3.710 5.300 2.720) 7.017 7.436 ( -0.164 -3.637 -9.940) 10.586 7.906 ( -8.927 -9.443 -7.988) 15.254 8.216 ( 0.227 -1.970 0.350) 2.013 8.315 ( -2.738 -2.200 -5.551) 6.568 9.624 ( -4.175 -0.904 -1.575) 4.553 9.750 ( -0.788 1.174 -1.181) 1.842 10.686 ( 2.514 -3.401 -4.209) 5.967 11.175 ( -0.506 0.338 4.423) 4.465 11.271 ( 5.382 5.655 4.523) 9.022 11.787 ( -0.311 -0.930 -2.405) 2.597 13.763 ( -2.231 -5.578 3.942) 7.185 14.646 ( -9.928 -6.547 -8.777) 14.781 19.312 ( -2.460 -0.850 0.611) 2.673 19.859 ( -8.350 0.488 -8.933) 12.237 20.355 ( 11.406 9.338 2.658) 14.979 21.121 ( 22.747 12.826 3.315) 26.323 22.016 ( -2.123 -2.016 3.870) 4.853 23.467 ( 2.218 -2.841 -2.970) 4.671 23.678 ( -3.833 2.401 -3.427) 5.674 24.356 ( -12.411 -11.392 4.611) 17.466 ======================= Grid point 25 (18/102) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 38.223 -3.688 -6.489) 38.945 2.907 ( 1.026 -1.743 6.287) 6.604 3.263 ( 1.364 7.381 -8.209) 11.123 3.375 ( 4.501 5.316 4.074) 8.070 3.701 ( -0.792 22.257 -4.949) 22.814 4.171 ( 2.204 -6.578 3.860) 7.939 4.189 ( -0.978 -0.594 9.273) 9.343 4.532 ( -0.976 -0.769 -5.129) 5.277 4.688 ( 2.650 -0.714 -9.681) 10.063 4.894 ( -5.031 -15.474 -2.375) 16.444 5.621 ( -5.118 1.463 -5.648) 7.761 5.839 ( 0.100 -3.272 1.955) 3.813 6.441 ( 4.902 1.421 1.800) 5.412 7.006 ( 4.813 1.193 4.869) 6.950 7.105 ( -1.136 6.623 0.458) 6.735 7.222 ( -0.020 4.005 3.151) 5.096 7.315 ( 1.501 -6.059 -2.939) 6.900 7.687 ( -9.102 0.758 -5.736) 10.785 8.155 ( 0.955 -2.584 -3.963) 4.827 8.264 ( -2.184 1.427 -1.475) 2.997 9.538 ( -4.070 0.742 -9.010) 9.914 9.733 ( -1.736 4.076 -4.467) 6.292 10.666 ( 4.057 -2.298 7.577) 8.897 11.274 ( -1.160 -1.836 8.890) 9.151 11.407 ( 5.872 1.220 5.652) 8.241 11.807 ( -0.761 0.383 6.265) 6.323 13.680 ( 1.907 -6.186 -5.385) 8.420 14.441 ( -12.185 1.744 -11.962) 17.165 19.311 ( -2.446 -0.740 0.486) 2.601 19.760 ( -12.279 3.047 -7.065) 14.491 20.536 ( 13.544 6.921 6.156) 16.408 21.317 ( 27.917 7.171 3.614) 29.049 22.072 ( -4.062 -4.551 8.907) 10.796 23.393 ( 0.919 -2.240 -1.181) 2.694 23.687 ( -4.268 5.197 -2.431) 7.151 24.249 ( -13.240 -9.812 0.576) 16.489 ======================= Grid point 26 (19/102) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 37.067 -6.347 -10.865) 39.144 2.793 ( 6.641 -10.087 -13.843) 18.371 3.215 ( 2.942 3.269 -0.531) 4.429 3.440 ( 2.694 -1.228 -0.208) 2.968 3.902 ( -0.634 8.167 -2.421) 8.541 4.045 ( 1.483 -12.972 0.961) 13.092 4.193 ( 2.746 -18.000 -21.539) 28.204 4.400 ( 1.832 -2.244 14.255) 14.547 4.550 ( -2.474 2.539 -3.938) 5.299 4.828 ( -6.004 8.713 1.530) 10.691 5.568 ( -3.279 3.256 -5.546) 7.219 5.803 ( -1.618 -2.516 -1.041) 3.167 6.438 ( 5.149 -4.458 -0.269) 6.816 7.038 ( 0.539 -8.836 -3.246) 9.428 7.080 ( 2.613 -2.020 0.570) 3.351 7.140 ( 0.594 -1.552 -2.666) 3.142 7.396 ( -1.932 10.370 0.569) 10.564 7.763 ( -8.854 9.270 0.284) 12.822 8.065 ( 1.422 1.351 -4.693) 5.086 8.313 ( -3.068 6.060 1.988) 7.078 9.372 ( -0.600 0.205 -13.249) 13.265 9.763 ( -3.983 6.430 -0.521) 7.581 10.839 ( 4.204 1.606 13.792) 14.508 11.370 ( -2.866 -3.457 7.417) 8.670 11.466 ( 7.379 -6.585 8.246) 12.877 11.999 ( -1.577 3.292 14.898) 15.339 13.418 ( 2.629 -7.115 -15.977) 17.686 14.342 ( -11.919 10.488 -13.095) 20.580 19.305 ( -2.763 -0.838 0.160) 2.892 19.728 ( -13.317 5.474 -4.903) 15.210 20.729 ( 18.051 4.763 8.131) 20.363 21.426 ( 25.392 -2.792 7.118) 26.519 22.145 ( -4.089 -6.539 10.222) 12.805 23.391 ( -0.151 3.749 -0.179) 3.756 23.741 ( -4.473 6.435 -1.251) 7.936 24.106 ( -13.100 -8.149 -2.902) 15.698 ======================= Grid point 27 (20/102) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 35.240 -8.979 -10.307) 37.799 2.323 ( 16.066 -13.573 -22.883) 31.080 3.218 ( 3.454 -11.445 -2.012) 12.123 3.327 ( -3.612 -4.316 -8.568) 10.251 3.526 ( 8.961 -18.683 -19.134) 28.204 3.848 ( 3.959 -14.940 1.614) 15.540 3.899 ( 3.128 -8.048 -1.308) 8.733 4.578 ( -2.281 1.620 6.373) 6.960 4.606 ( 1.305 0.073 13.712) 13.774 5.071 ( -11.808 15.830 0.945) 19.771 5.535 ( -0.789 2.747 -4.574) 5.394 5.761 ( -3.050 2.174 -2.641) 4.583 6.305 ( 7.888 -9.989 -2.231) 12.922 6.885 ( -2.217 -3.396 -1.425) 4.299 7.049 ( 1.471 -2.224 -2.052) 3.365 7.126 ( 1.740 -0.772 2.298) 2.984 7.462 ( -3.214 9.714 -10.996) 15.020 7.867 ( -8.083 7.991 -1.876) 11.521 8.062 ( 0.201 4.730 -2.463) 5.337 8.498 ( -5.242 11.144 5.499) 13.488 9.157 ( 2.217 -0.906 -13.412) 13.624 9.912 ( -4.762 6.873 8.511) 11.931 11.042 ( 1.658 3.330 4.601) 5.916 11.401 ( -0.104 -5.401 7.086) 8.910 11.524 ( 5.711 -10.096 14.262) 18.383 12.328 ( -1.792 4.248 20.232) 20.751 13.022 ( 1.925 -5.096 -24.364) 24.965 14.294 ( -10.446 13.543 -15.634) 23.172 19.295 ( -3.226 -0.514 -0.059) 3.267 19.758 ( -12.740 7.406 -2.840) 15.007 20.889 ( 24.293 2.281 4.953) 24.897 21.493 ( 14.809 -14.490 19.114) 28.189 22.202 ( -0.065 -3.128 6.253) 6.992 23.467 ( -3.754 9.067 -3.376) 10.377 23.808 ( -5.945 6.010 -3.076) 8.996 23.957 ( -8.637 -6.484 -0.729) 10.824 ======================= Grid point 28 (21/102) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 21.054 -16.059 -11.504) 28.871 1.824 ( 37.905 -11.007 -15.225) 42.305 2.548 ( 6.737 -44.058 -14.746) 46.946 3.244 ( -3.002 4.446 -7.117) 8.912 3.279 ( 7.405 -6.306 -2.669) 10.085 3.652 ( 7.819 -16.297 1.684) 18.154 3.736 ( 7.639 -12.053 -0.941) 14.301 4.751 ( -3.895 3.386 11.767) 12.849 4.848 ( 0.985 1.749 13.559) 13.707 5.163 ( -11.840 6.066 -8.983) 16.053 5.495 ( -0.422 0.432 -3.021) 3.081 5.798 ( -4.652 5.080 -1.974) 7.166 6.209 ( 9.916 -5.530 8.357) 14.098 6.891 ( -0.332 3.651 1.180) 3.851 7.010 ( -2.884 -1.717 0.406) 3.381 7.154 ( -0.317 0.964 1.118) 1.510 7.323 ( -3.253 6.046 -20.892) 21.991 7.945 ( -6.534 7.242 -1.485) 9.867 8.095 ( -1.256 4.341 -1.684) 4.822 8.739 ( -6.335 10.204 5.133) 13.061 8.961 ( 2.151 -0.889 -9.659) 9.935 10.223 ( -5.759 8.812 18.199) 21.024 11.019 ( -0.204 0.271 -9.072) 9.078 11.469 ( -2.627 -1.298 5.680) 6.391 11.619 ( 9.925 -13.183 19.189) 25.308 12.523 ( 3.680 -4.176 -30.289) 30.796 12.694 ( -2.547 3.005 16.743) 17.200 14.241 ( -9.615 12.736 -13.952) 21.197 19.292 ( -2.985 0.336 -0.102) 3.006 19.843 ( -11.986 9.199 -1.172) 15.154 20.910 ( 21.951 -4.540 -0.069) 22.416 21.645 ( 8.392 -18.839 29.625) 36.097 22.264 ( 6.544 3.962 1.536) 7.803 23.458 ( -14.914 8.757 -15.134) 22.982 23.776 ( -2.551 0.278 -2.014) 3.262 23.988 ( -2.009 1.345 5.452) 5.964 ======================= Grid point 29 (22/102) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 19.205 -19.205 -0.000) 27.159 1.538 ( 27.243 -27.243 -0.000) 38.528 1.813 ( 31.189 -31.189 -0.000) 44.107 3.168 ( 6.847 -6.847 -0.000) 9.684 3.244 ( -4.448 4.448 0.000) 6.291 3.466 ( 11.638 -11.638 -0.000) 16.459 3.564 ( 11.151 -11.151 -0.000) 15.771 4.969 ( -1.174 1.174 0.000) 1.661 4.978 ( -0.099 0.099 0.000) 0.139 5.084 ( -8.194 8.194 0.000) 11.588 5.474 ( 0.074 -0.074 -0.000) 0.105 5.797 ( 0.335 -0.335 -0.000) 0.473 6.360 ( -2.309 2.309 0.000) 3.265 6.980 ( -3.708 3.708 0.000) 5.244 7.001 ( -1.560 1.560 0.000) 2.207 7.106 ( 0.262 -0.262 -0.000) 0.371 7.182 ( -1.302 1.302 0.000) 1.841 8.021 ( -5.304 5.304 0.000) 7.502 8.130 ( -2.650 2.650 0.000) 3.747 8.826 ( 2.680 -2.680 -0.000) 3.790 8.946 ( -9.081 9.081 0.000) 12.842 10.650 ( -15.351 15.351 0.000) 21.710 10.849 ( 2.816 -2.816 -0.000) 3.982 11.508 ( -1.215 1.215 0.000) 1.719 11.670 ( 12.811 -12.811 -0.000) 18.117 12.057 ( 8.674 -8.674 -0.000) 12.267 12.883 ( -2.217 2.217 0.000) 3.135 14.274 ( -9.480 9.480 0.000) 13.406 19.305 ( -1.774 1.774 0.000) 2.509 19.975 ( -11.190 11.190 0.000) 15.826 20.790 ( 11.804 -11.804 -0.000) 16.694 21.730 ( 10.800 -10.800 -0.000) 15.274 22.322 ( 1.937 -1.937 -0.000) 2.739 23.403 ( -10.923 10.923 0.000) 15.448 23.778 ( -0.829 0.829 0.000) 1.172 24.064 ( -1.588 1.588 0.000) 2.246 ======================= Grid point 34 (23/102) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 14.348 14.348 -7.219) 21.536 2.924 ( 13.409 13.409 -6.789) 20.142 2.937 ( 3.933 3.933 11.434) 12.715 3.391 ( 7.529 7.529 10.278) 14.799 3.541 ( 3.860 3.860 -13.628) 14.681 4.183 ( -0.858 -0.858 10.761) 10.829 4.242 ( -1.966 -1.966 3.801) 4.709 4.519 ( -0.945 -0.945 -6.741) 6.872 4.712 ( 2.737 2.737 -7.600) 8.529 4.993 ( -13.160 -13.160 -2.039) 18.723 5.561 ( -2.110 -2.110 -6.562) 7.209 5.864 ( -2.648 -2.648 1.621) 4.081 6.477 ( 6.000 6.000 2.026) 8.723 7.006 ( 3.522 3.522 5.287) 7.264 7.054 ( 3.540 3.540 4.690) 6.860 7.192 ( 1.242 1.242 0.852) 1.952 7.396 ( 2.396 2.396 0.969) 3.525 7.598 ( -10.494 -10.494 -12.870) 19.644 8.195 ( -1.093 -1.093 -2.856) 3.247 8.228 ( -0.732 -0.732 -3.167) 3.332 9.499 ( -1.309 -1.309 -7.934) 8.147 9.691 ( 0.698 0.698 -5.814) 5.897 10.715 ( 0.506 0.506 6.076) 6.118 11.279 ( -1.720 -1.720 9.225) 9.540 11.439 ( 5.070 5.070 7.650) 10.485 11.800 ( -0.764 -0.764 5.022) 5.137 13.756 ( -1.256 -1.256 -2.108) 2.757 14.323 ( -7.967 -7.967 -15.553) 19.206 19.301 ( -1.166 -1.166 1.013) 1.935 19.647 ( -4.585 -4.585 -6.822) 9.413 20.584 ( 12.310 12.310 5.561) 18.275 21.468 ( 20.254 20.254 2.233) 28.731 22.075 ( -4.685 -4.685 9.719) 11.762 23.436 ( -1.724 -1.724 -2.507) 3.497 23.594 ( -0.763 -0.763 -2.026) 2.296 24.224 ( -12.902 -12.902 1.545) 18.311 ======================= Grid point 35 (24/102) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 26.068 -8.439 -9.553) 29.018 3.037 ( -8.215 11.758 -8.524) 16.685 3.070 ( 18.939 -4.719 -3.191) 19.777 3.527 ( 2.540 16.560 -5.318) 17.577 3.677 ( 7.152 10.810 5.893) 14.238 4.179 ( -1.460 -4.868 -1.212) 5.224 4.365 ( -0.672 -3.237 7.017) 7.757 4.409 ( -6.510 -1.858 -3.748) 7.739 4.512 ( 1.756 -4.178 -8.771) 9.873 4.796 ( -6.606 -10.226 -0.294) 12.178 5.466 ( -3.163 2.889 -6.288) 7.609 5.804 ( -4.897 -4.596 -2.465) 7.154 6.556 ( 7.789 1.889 0.825) 8.057 7.121 ( 2.046 3.255 0.358) 3.861 7.150 ( 4.614 0.102 4.033) 6.129 7.206 ( -1.713 -13.329 -9.942) 16.716 7.258 ( -1.677 5.451 1.093) 5.807 7.514 ( -8.683 7.104 0.015) 11.219 8.099 ( 1.982 -2.126 -4.988) 5.774 8.206 ( -3.036 3.252 -1.727) 4.772 9.376 ( 1.845 0.818 -8.284) 8.526 9.627 ( -1.761 5.108 -6.010) 8.081 10.879 ( 2.354 0.281 13.262) 13.473 11.370 ( -4.211 -4.041 7.237) 9.297 11.625 ( 7.425 0.065 11.310) 13.530 11.933 ( -2.538 1.118 12.970) 13.263 13.606 ( 6.196 -8.490 -11.172) 15.339 14.035 ( -13.611 5.448 -16.919) 22.387 19.300 ( -0.589 -1.463 0.809) 1.773 19.530 ( -8.314 0.275 -4.414) 9.418 20.861 ( 16.630 11.556 8.783) 22.073 21.719 ( 25.389 13.255 -0.381) 28.644 22.170 ( -7.446 -8.462 13.846) 17.854 23.348 ( -5.533 -3.432 -3.143) 7.229 23.607 ( -2.247 3.906 0.219) 4.512 24.064 ( -11.877 -10.487 -0.856) 15.868 ======================= Grid point 36 (25/102) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 18.951 -12.268 -11.560) 25.363 2.786 ( 28.467 -5.515 -15.459) 32.860 3.083 ( -5.906 7.204 -7.467) 11.939 3.592 ( 9.396 -9.958 3.366) 14.099 3.839 ( -0.741 11.650 -4.439) 12.489 3.922 ( 5.667 -16.805 -15.005) 23.231 4.128 ( 3.291 -13.370 0.992) 13.804 4.453 ( -10.134 5.188 2.011) 11.561 4.668 ( 0.593 -2.796 17.235) 17.470 4.753 ( -5.567 6.451 1.157) 8.599 5.442 ( -3.056 6.078 -5.249) 8.592 5.680 ( -7.802 -2.706 -6.275) 10.371 6.542 ( 9.496 -5.196 -0.129) 10.826 6.918 ( -3.299 -6.819 -5.755) 9.514 7.113 ( 3.873 -1.341 -2.236) 4.669 7.173 ( 2.624 -1.874 -0.290) 3.238 7.315 ( -2.237 6.210 -6.266) 9.101 7.612 ( -11.242 8.436 -1.134) 14.101 8.031 ( 2.154 1.183 -2.783) 3.713 8.284 ( -5.707 8.510 1.561) 10.365 9.240 ( 6.829 -2.013 -8.537) 11.116 9.697 ( -5.998 11.371 0.561) 12.868 11.062 ( 2.090 -1.110 8.809) 9.121 11.390 ( -6.761 -4.223 3.940) 8.892 11.791 ( 10.671 -7.378 17.681) 21.930 12.228 ( -3.720 4.531 19.384) 20.252 13.211 ( 8.065 -11.462 -19.859) 24.306 13.931 ( -13.779 14.018 -16.751) 25.826 19.282 ( -0.845 -1.948 0.175) 2.131 19.518 ( -9.511 4.641 -2.106) 10.790 21.153 ( 23.574 9.038 9.210) 26.875 21.833 ( 19.566 0.337 4.659) 20.116 22.243 ( -5.293 -8.135 10.589) 14.364 23.254 ( -15.042 0.957 -7.811) 16.976 23.691 ( -0.468 4.497 2.326) 5.085 23.932 ( -7.360 -5.831 -0.524) 9.405 ======================= Grid point 37 (26/102) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 14.091 -16.436 -12.041) 24.773 2.504 ( 37.801 -7.747 -8.643) 39.543 3.039 ( -2.848 4.621 -9.309) 10.776 3.239 ( 5.407 -33.574 -6.378) 34.600 3.556 ( 11.979 -10.150 -2.149) 15.848 3.907 ( 1.895 -0.841 -0.624) 2.165 3.979 ( 7.301 -13.017 1.903) 15.045 4.596 ( -9.341 6.333 6.838) 13.195 4.816 ( 1.913 7.869 2.490) 8.472 4.949 ( -7.853 -0.223 8.452) 11.539 5.452 ( -2.215 3.920 -3.638) 5.788 5.596 ( -10.116 6.788 -5.488) 13.361 6.447 ( 9.857 -8.003 2.349) 12.913 6.845 ( -2.236 0.521 0.009) 2.296 7.036 ( 1.916 -3.007 -2.793) 4.529 7.140 ( -0.326 0.311 -1.340) 1.413 7.233 ( -1.251 2.662 -11.461) 11.832 7.715 ( -9.729 9.185 -1.276) 13.441 8.029 ( -0.355 2.602 -1.434) 2.992 8.467 ( -9.074 11.739 2.869) 15.113 9.076 ( 7.898 -4.662 -6.184) 11.062 9.938 ( -9.178 15.056 5.877) 18.587 11.066 ( 1.706 -5.073 -1.746) 5.630 11.415 ( -6.004 -0.436 3.452) 6.939 11.968 ( 12.386 -12.068 22.685) 28.525 12.596 ( -3.132 4.507 17.728) 18.559 12.719 ( 8.539 -10.159 -24.185) 27.587 13.885 ( -13.303 15.333 -14.951) 25.211 19.262 ( -1.324 -0.801 0.002) 1.547 19.579 ( -9.414 7.168 -0.848) 11.863 21.303 ( 27.168 -1.919 1.468) 27.275 21.948 ( 4.969 -11.794 21.291) 24.842 22.292 ( 5.390 4.105 0.905) 6.835 23.109 ( -22.421 3.355 -14.369) 26.841 23.756 ( 0.618 0.789 0.642) 1.190 23.927 ( -3.214 1.858 3.173) 4.884 ======================= Grid point 38 (27/102) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 17.220 -17.220 -0.000) 24.353 2.262 ( 24.402 -24.402 -0.000) 34.510 2.635 ( 28.093 -28.093 -0.000) 39.730 3.095 ( -5.927 5.927 0.000) 8.382 3.406 ( 10.081 -10.081 -0.000) 14.257 3.814 ( 12.655 -12.655 -0.000) 17.897 3.836 ( 7.232 -7.232 -0.000) 10.228 4.814 ( -11.134 11.134 0.000) 15.746 4.902 ( -3.680 3.680 0.000) 5.204 4.981 ( 0.778 -0.778 -0.000) 1.100 5.455 ( -1.635 1.635 0.000) 2.312 5.682 ( -8.683 8.683 0.000) 12.280 6.402 ( 5.222 -5.222 -0.000) 7.385 6.884 ( -2.998 2.998 0.000) 4.240 6.981 ( 0.431 -0.431 -0.000) 0.609 7.120 ( 0.801 -0.801 -0.000) 1.133 7.145 ( -1.332 1.332 0.000) 1.884 7.827 ( -8.486 8.486 0.000) 12.001 8.054 ( -2.522 2.522 0.000) 3.567 8.658 ( -11.352 11.352 0.000) 16.055 8.945 ( 6.039 -6.039 -0.000) 8.540 10.225 ( -15.267 15.267 0.000) 21.591 10.955 ( 4.703 -4.703 -0.000) 6.651 11.459 ( -2.440 2.440 0.000) 3.451 12.075 ( 16.245 -16.245 -0.000) 22.973 12.272 ( 6.955 -6.955 -0.000) 9.836 12.808 ( -3.174 3.174 0.000) 4.489 13.955 ( -13.475 13.475 0.000) 19.056 19.263 ( -1.012 1.012 0.000) 1.431 19.687 ( -9.425 9.425 0.000) 13.329 21.174 ( 15.731 -15.731 -0.000) 22.247 22.005 ( 8.890 -8.890 -0.000) 12.572 22.370 ( 1.323 -1.323 -0.000) 1.870 23.053 ( -14.254 14.254 0.000) 20.159 23.763 ( -0.129 0.129 0.000) 0.182 24.000 ( -2.907 2.907 0.000) 4.111 ======================= Grid point 45 (28/102) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 0.772 0.772 -13.847) 13.890 2.769 ( -0.532 -0.532 -10.839) 10.865 3.354 ( 11.025 11.025 -1.360) 15.651 3.417 ( 13.790 13.790 -9.032) 21.492 3.890 ( 3.550 3.550 4.280) 6.597 4.097 ( 1.073 1.073 -7.863) 8.008 4.250 ( -5.627 -5.627 -2.800) 8.436 4.261 ( -7.281 -7.281 -5.265) 11.565 4.645 ( -1.413 -1.413 16.286) 16.409 4.747 ( -5.581 -5.581 6.744) 10.382 5.358 ( 2.176 2.176 -6.807) 7.470 5.642 ( -6.588 -6.588 -7.506) 11.964 6.654 ( 4.317 4.317 0.422) 6.120 6.953 ( -6.129 -6.129 -9.708) 13.014 7.174 ( 2.034 2.034 -2.714) 3.955 7.225 ( 0.847 0.847 -3.561) 3.757 7.255 ( 1.783 1.783 2.352) 3.448 7.413 ( -3.303 -3.303 -1.774) 4.997 8.079 ( 1.775 1.775 -1.887) 3.140 8.142 ( 0.054 0.054 -2.088) 2.090 9.353 ( 4.702 4.702 -2.488) 7.100 9.519 ( 1.460 1.460 -5.785) 6.143 11.092 ( 0.317 0.317 10.876) 10.885 11.368 ( -6.466 -6.466 2.534) 9.488 11.951 ( 4.546 4.546 19.032) 20.089 12.138 ( -1.847 -1.847 18.439) 18.623 13.500 ( 0.598 0.598 -14.377) 14.402 13.585 ( -2.522 -2.522 -21.241) 21.539 19.312 ( -0.415 -0.415 0.885) 1.062 19.396 ( -3.088 -3.088 -2.389) 4.978 21.257 ( 17.202 17.202 12.094) 27.167 21.978 ( 19.000 19.000 -6.141) 27.563 22.270 ( -11.615 -11.615 15.589) 22.646 23.120 ( -13.460 -13.460 -7.718) 20.540 23.659 ( 3.421 3.421 4.015) 6.287 23.920 ( -6.481 -6.481 -1.025) 9.223 ======================= Grid point 47 (29/102) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 12.077 -13.996 -10.677) 21.348 2.692 ( -8.898 8.851 -10.633) 16.449 3.236 ( 31.023 -6.627 -2.938) 31.858 3.670 ( -3.330 11.051 -0.135) 11.543 3.778 ( 7.250 -18.749 -5.937) 20.960 3.930 ( 11.195 -4.546 -1.795) 12.216 4.116 ( -6.364 -3.884 -1.501) 7.605 4.307 ( -14.586 9.909 1.294) 17.681 4.794 ( 3.889 -4.050 7.449) 9.328 4.924 ( -3.297 0.591 17.411) 17.730 5.314 ( -2.022 7.017 -7.337) 10.352 5.430 ( -8.471 -2.221 -10.011) 13.301 6.664 ( 7.129 -4.490 0.270) 8.429 6.804 ( -3.725 -0.130 -2.366) 4.415 7.113 ( 2.144 -0.989 -5.108) 5.627 7.140 ( -0.341 -0.768 -5.409) 5.474 7.239 ( 3.899 -3.647 -1.576) 5.566 7.447 ( -10.199 8.390 -0.374) 13.212 8.043 ( 3.878 -1.972 -1.108) 4.490 8.202 ( -7.335 8.919 0.087) 11.548 9.296 ( 12.105 -6.715 -2.466) 14.061 9.601 ( -9.078 14.291 0.226) 16.932 11.177 ( 2.492 -5.361 2.940) 6.602 11.325 ( -7.723 -0.887 1.553) 7.928 12.256 ( 9.816 -6.616 22.156) 25.120 12.467 ( -5.479 5.122 19.115) 20.533 13.047 ( 13.807 -14.255 -20.765) 28.723 13.466 ( -15.254 16.053 -17.080) 27.966 19.287 ( 1.352 -2.931 0.041) 3.228 19.391 ( -6.237 4.133 -0.497) 7.499 21.652 ( 26.972 9.449 10.014) 30.282 22.092 ( 9.862 6.428 2.352) 12.005 22.313 ( -4.340 -6.652 7.025) 10.603 22.798 ( -24.833 -9.144 -12.342) 29.200 23.768 ( 3.046 1.673 3.005) 4.594 23.862 ( -3.558 -0.072 0.469) 3.590 ======================= Grid point 48 (30/102) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 14.914 -14.914 -0.000) 21.092 2.691 ( -1.135 1.135 0.000) 1.605 3.094 ( 13.308 -13.308 -0.000) 18.820 3.351 ( 23.347 -23.347 -0.000) 33.018 3.692 ( 8.304 -8.304 -0.000) 11.744 3.910 ( -0.592 0.592 0.000) 0.838 4.076 ( 3.380 -3.380 -0.000) 4.780 4.480 ( -12.828 12.828 0.000) 18.142 4.819 ( 0.250 -0.250 -0.000) 0.354 5.055 ( 4.835 -4.835 -0.000) 6.838 5.369 ( -13.032 13.032 0.000) 18.430 5.374 ( -4.303 4.303 0.000) 6.086 6.585 ( 6.884 -6.884 -0.000) 9.735 6.816 ( -2.125 2.125 0.000) 3.005 7.026 ( 2.335 -2.335 -0.000) 3.302 7.110 ( -1.161 1.161 0.000) 1.641 7.166 ( 3.145 -3.145 -0.000) 4.448 7.571 ( -9.658 9.658 0.000) 13.658 8.017 ( 0.412 -0.412 -0.000) 0.583 8.346 ( -10.669 10.669 0.000) 15.088 9.158 ( 9.270 -9.270 -0.000) 13.109 9.816 ( -14.105 14.105 0.000) 19.947 11.099 ( 5.466 -5.466 -0.000) 7.731 11.371 ( -3.880 3.880 0.000) 5.487 12.445 ( 5.667 -5.667 -0.000) 8.014 12.553 ( 18.057 -18.057 -0.000) 25.536 12.709 ( -3.989 3.989 0.000) 5.641 13.539 ( -16.493 16.493 0.000) 23.325 19.260 ( 0.913 -0.913 -0.000) 1.291 19.463 ( -6.655 6.655 0.000) 9.412 21.642 ( 17.789 -17.789 -0.000) 25.158 22.213 ( 6.044 -6.044 -0.000) 8.548 22.384 ( -0.439 0.439 0.000) 0.621 22.623 ( -16.700 16.700 0.000) 23.617 23.777 ( 1.200 -1.200 -0.000) 1.697 23.912 ( -3.263 3.263 0.000) 4.614 ======================= Grid point 58 (31/102) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 12.095 -12.095 -0.000) 17.106 2.451 ( -12.095 12.095 0.000) 17.106 3.549 ( 14.607 -14.607 -0.000) 20.658 3.549 ( -14.607 14.607 0.000) 20.658 3.894 ( 14.992 -14.992 -0.000) 21.202 3.894 ( -14.992 14.992 0.000) 21.202 4.122 ( 12.633 -12.633 -0.000) 17.866 4.122 ( -12.633 12.633 0.000) 17.866 5.009 ( 11.877 -11.877 -0.000) 16.796 5.009 ( -11.877 11.877 0.000) 16.796 5.222 ( 6.399 -6.399 -0.000) 9.049 5.222 ( -6.399 6.399 0.000) 9.049 6.740 ( 3.972 -3.972 -0.000) 5.618 6.740 ( -3.972 3.972 0.000) 5.618 7.077 ( 1.342 -1.342 -0.000) 1.897 7.077 ( -1.342 1.342 0.000) 1.897 7.321 ( 7.874 -7.874 -0.000) 11.136 7.321 ( -7.874 7.874 0.000) 11.136 8.105 ( 6.193 -6.193 -0.000) 8.759 8.105 ( -6.193 6.193 0.000) 8.759 9.453 ( 12.028 -12.028 -0.000) 17.010 9.453 ( -12.028 12.028 0.000) 17.010 11.247 ( 5.065 -5.065 -0.000) 7.163 11.247 ( -5.065 5.065 0.000) 7.163 12.589 ( 4.751 -4.751 -0.000) 6.719 12.589 ( -4.751 4.751 0.000) 6.719 13.057 ( 18.121 -18.121 -0.000) 25.627 13.057 ( -18.121 18.121 0.000) 25.627 19.321 ( 3.633 -3.633 -0.000) 5.137 19.321 ( -3.633 3.633 0.000) 5.137 22.140 ( 18.009 -18.009 -0.000) 25.468 22.140 ( -18.009 18.009 0.000) 25.468 22.338 ( 3.043 -3.043 -0.000) 4.304 22.338 ( -3.043 3.043 0.000) 4.304 23.829 ( 2.559 -2.559 -0.000) 3.619 23.829 ( -2.559 2.559 0.000) 3.619 ======================= Grid point 116 (32/102) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 17.666 17.666 17.267) 30.369 1.759 ( 24.942 24.942 12.723) 37.497 2.539 ( 15.234 15.234 37.743) 43.459 3.210 ( 8.086 8.086 5.401) 12.647 3.408 ( 9.255 9.255 -3.286) 13.494 3.518 ( -4.000 -4.000 13.207) 14.368 3.603 ( 11.008 11.008 3.051) 15.864 4.600 ( 0.243 0.243 -8.798) 8.804 4.601 ( 0.205 0.205 -17.358) 17.360 5.405 ( -8.932 -8.932 7.015) 14.449 5.561 ( 0.373 0.373 5.458) 5.483 5.860 ( -1.143 -1.143 -1.515) 2.215 6.034 ( 8.372 8.372 2.434) 12.087 6.886 ( -2.256 -2.256 -4.439) 5.467 6.989 ( 1.005 1.005 -0.289) 1.450 7.110 ( 0.760 0.760 -5.136) 5.248 7.750 ( -10.103 -10.103 14.551) 20.393 8.055 ( -5.005 -5.005 1.554) 7.246 8.185 ( -3.415 -3.415 2.530) 5.452 8.783 ( -8.153 -8.153 -5.906) 12.955 9.137 ( 0.310 0.310 14.153) 14.160 9.902 ( 5.541 5.541 -19.195) 20.733 11.087 ( 9.471 9.471 -1.353) 13.463 11.273 ( -2.632 -2.632 -9.642) 10.336 11.383 ( -0.949 -0.949 -7.513) 7.632 12.416 ( -1.918 -1.918 -21.515) 21.685 13.087 ( -10.460 -10.460 33.470) 36.594 14.617 ( -9.117 -9.117 13.959) 19.002 19.310 ( -1.878 -1.878 0.292) 2.672 20.007 ( -10.616 -10.616 2.364) 15.199 20.812 ( 12.582 12.582 1.526) 17.859 20.832 ( 22.634 22.634 -33.410) 46.269 22.185 ( 1.562 1.562 -7.307) 7.634 23.776 ( -1.069 -1.069 -0.595) 1.625 23.777 ( -1.862 -1.862 -4.644) 5.339 24.025 ( -10.952 -10.952 13.715) 20.687 ======================= Grid point 117 (33/102) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 32.817 6.094 15.164) 36.661 2.368 ( 10.425 25.377 16.248) 31.885 3.037 ( 3.677 11.087 1.625) 11.794 3.432 ( 6.830 5.536 1.254) 8.881 3.643 ( -0.462 0.589 6.472) 6.515 3.673 ( 4.056 15.486 18.284) 24.302 3.852 ( 7.787 11.844 13.722) 19.729 4.373 ( 1.081 -0.429 -11.391) 11.450 4.562 ( 0.125 1.778 0.794) 1.951 5.294 ( -10.275 -15.525 -0.534) 18.625 5.646 ( 1.150 -1.391 5.937) 6.205 5.798 ( -2.067 -2.278 -1.586) 3.460 6.226 ( 5.728 9.058 4.949) 11.805 6.843 ( -1.551 3.070 -0.524) 3.479 7.039 ( 2.961 1.944 -2.802) 4.516 7.051 ( 3.109 4.015 0.028) 5.078 7.708 ( -5.963 -10.959 -0.335) 12.481 7.992 ( -6.872 -6.990 0.713) 9.828 8.162 ( -1.016 -3.959 2.108) 4.599 8.542 ( -6.271 -9.506 -7.768) 13.786 9.373 ( -0.845 0.029 14.805) 14.830 9.780 ( -0.622 3.660 -6.272) 7.289 11.015 ( 4.935 -5.989 -13.741) 15.781 11.210 ( 7.208 8.273 0.151) 10.974 11.280 ( -4.147 2.911 -8.160) 9.605 12.086 ( -1.322 -2.416 -16.756) 16.980 13.383 ( -4.418 -5.734 21.071) 22.279 14.650 ( -10.176 -10.801 8.336) 17.021 19.298 ( -3.004 -0.581 0.319) 3.076 19.917 ( -13.465 -8.639 3.153) 16.306 20.663 ( 20.726 13.668 -20.285) 32.061 21.040 ( 17.001 16.273 -0.420) 23.537 22.089 ( 1.620 0.654 -6.561) 6.789 23.600 ( 4.613 -7.878 -4.319) 10.100 23.797 ( -4.666 4.850 -4.603) 8.153 24.084 ( -15.095 -10.159 12.773) 22.231 ======================= Grid point 118 (34/102) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 35.660 3.834 11.855) 37.774 2.806 ( 3.755 7.456 5.502) 9.998 3.153 ( 10.380 10.841 1.255) 15.061 3.484 ( -5.884 1.176 -1.025) 6.087 3.775 ( 1.852 14.409 -0.708) 14.545 3.947 ( 2.750 6.272 4.445) 8.164 4.231 ( 1.371 -0.932 -6.187) 6.405 4.393 ( 4.698 8.426 23.433) 25.341 4.634 ( 0.723 2.078 4.305) 4.835 4.993 ( -7.416 -19.371 -4.160) 21.155 5.690 ( -2.497 -3.210 3.868) 5.612 5.773 ( -0.931 1.072 -0.765) 1.613 6.387 ( 5.438 5.393 2.071) 7.934 6.945 ( 1.682 6.818 0.165) 7.024 7.026 ( 0.123 5.646 0.978) 5.731 7.157 ( 3.119 3.485 3.070) 5.595 7.483 ( -2.301 -10.163 -7.651) 12.927 7.863 ( -9.016 -8.952 -3.297) 13.126 8.156 ( 0.594 -2.598 3.048) 4.049 8.342 ( -3.316 -4.633 -4.017) 6.971 9.557 ( -3.715 -0.516 8.953) 9.707 9.773 ( -3.930 1.632 -0.583) 4.295 10.733 ( 7.246 -6.428 -9.671) 13.688 11.208 ( -2.552 2.709 -5.813) 6.903 11.322 ( 6.792 6.572 0.212) 9.453 11.853 ( -0.791 -2.314 -9.075) 9.399 13.586 ( -0.526 -1.121 11.340) 11.408 14.593 ( -11.980 -8.214 2.584) 14.753 19.299 ( -3.061 -0.010 0.246) 3.071 19.864 ( -16.670 -4.983 2.125) 17.528 20.574 ( 18.339 7.210 -10.443) 22.301 21.228 ( 24.402 10.467 0.037) 26.552 22.016 ( 0.713 0.428 -3.721) 3.812 23.449 ( 2.521 -5.724 -2.310) 6.668 23.781 ( -3.206 1.921 -3.145) 4.884 24.129 ( -16.693 -5.039 6.633) 18.656 ======================= Grid point 119 (35/102) ======================= q-point: (-0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 38.610 0.000 0.000) 38.610 2.840 ( 0.444 0.000 0.000) 0.444 3.308 ( 10.794 0.000 0.000) 10.794 3.446 ( -5.539 0.000 0.000) 5.539 3.937 ( 0.286 0.000 0.000) 0.286 4.064 ( 1.862 -0.000 0.000) 1.862 4.119 ( -0.042 0.000 0.000) 0.042 4.607 ( 2.411 0.000 0.000) 2.411 4.730 ( 1.008 0.000 0.000) 1.008 4.783 ( -4.562 -0.000 0.000) 4.562 5.693 ( -5.965 0.000 0.000) 5.965 5.779 ( 1.377 0.000 0.000) 1.377 6.438 ( 5.738 0.000 0.000) 5.738 6.972 ( 4.618 0.000 0.000) 4.618 7.187 ( 0.051 -0.000 0.000) 0.051 7.205 ( -0.928 0.000 -0.000) 0.928 7.284 ( -0.725 0.000 0.000) 0.725 7.736 ( -8.808 0.000 0.000) 8.808 8.168 ( 0.971 0.000 0.000) 0.971 8.286 ( -2.373 0.000 0.000) 2.373 9.622 ( -5.445 0.000 0.000) 5.445 9.783 ( -4.857 0.000 0.000) 4.857 10.604 ( 8.544 0.000 0.000) 8.544 11.181 ( -1.420 0.000 0.000) 1.420 11.376 ( 6.419 0.000 0.000) 6.419 11.762 ( -0.560 0.000 0.000) 0.560 13.672 ( 1.182 0.000 0.000) 1.182 14.546 ( -13.230 0.000 0.000) 13.230 19.302 ( -2.855 0.000 0.000) 2.855 19.845 ( -18.208 0.000 0.000) 18.208 20.543 ( 17.784 0.000 0.000) 17.784 21.305 ( 27.801 0.000 0.000) 27.801 21.990 ( 0.180 0.000 0.000) 0.180 23.389 ( 1.193 0.000 0.000) 1.193 23.768 ( -2.881 0.000 0.000) 2.881 24.145 ( -17.044 0.000 0.000) 17.044 ======================= Grid point 125 (36/102) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 13.659 -0.000 -0.000) 13.659 0.809 ( 28.502 -0.000 -0.000) 28.502 1.627 ( 56.035 -0.000 -0.000) 56.035 3.048 ( 3.307 -0.000 -0.000) 3.307 3.313 ( -3.600 0.000 0.000) 3.600 3.337 ( 15.307 -0.000 -0.000) 15.307 3.372 ( 14.605 -0.000 -0.000) 14.605 4.937 ( -4.046 0.000 0.000) 4.046 5.016 ( 2.911 -0.000 -0.000) 2.911 5.303 ( -1.125 0.000 0.000) 1.125 5.469 ( 0.781 -0.000 -0.000) 0.781 5.806 ( 7.235 -0.000 -0.000) 7.235 6.306 ( -14.027 0.000 0.000) 14.027 6.970 ( -7.082 0.000 0.000) 7.082 7.090 ( 0.451 -0.000 -0.000) 0.451 7.112 ( 0.252 -0.000 -0.000) 0.252 7.203 ( -1.498 0.000 0.000) 1.498 8.106 ( -2.888 0.000 0.000) 2.888 8.137 ( -5.098 0.000 0.000) 5.098 8.789 ( 0.430 -0.000 -0.000) 0.430 9.078 ( -9.430 0.000 0.000) 9.430 10.832 ( 4.101 -0.000 -0.000) 4.101 10.870 ( -23.093 0.000 0.000) 23.093 11.493 ( 13.870 -0.000 -0.000) 13.870 11.576 ( 2.725 -0.000 -0.000) 2.725 11.880 ( 12.176 -0.000 -0.000) 12.176 12.916 ( -2.188 0.000 0.000) 2.188 14.409 ( -9.329 0.000 0.000) 9.329 19.367 ( -0.105 0.000 0.000) 0.105 20.279 ( -9.424 0.000 0.000) 9.424 20.445 ( -0.087 0.000 0.000) 0.087 21.604 ( 20.935 -0.000 -0.000) 20.935 22.119 ( -9.874 0.000 0.000) 9.874 23.683 ( -2.995 0.000 0.000) 2.995 23.790 ( -1.491 0.000 0.000) 1.491 24.085 ( -0.610 0.000 0.000) 0.610 ======================= Grid point 128 (37/102) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 12.587 12.587 15.404) 23.540 2.797 ( 21.006 21.006 11.587) 31.887 3.089 ( 9.362 9.362 -4.952) 14.135 3.394 ( 0.450 0.450 -5.667) 5.703 3.707 ( 2.721 2.721 0.234) 3.856 3.920 ( 5.313 5.313 6.076) 9.663 4.248 ( 0.180 0.180 -3.777) 3.786 4.368 ( 8.427 8.427 25.861) 28.475 4.622 ( 1.056 1.056 3.515) 3.819 5.087 ( -14.668 -14.668 -4.164) 21.157 5.706 ( -3.870 -3.870 -2.971) 6.227 5.747 ( -0.743 -0.743 5.528) 5.627 6.395 ( 8.654 8.654 3.562) 12.746 6.869 ( 3.196 3.196 2.975) 5.411 7.010 ( 2.719 2.719 -2.907) 4.821 7.160 ( 4.625 4.625 2.816) 7.121 7.541 ( -6.279 -6.279 -7.916) 11.896 7.858 ( -10.224 -10.224 -3.522) 14.881 8.182 ( -1.408 -1.408 2.678) 3.337 8.353 ( -4.692 -4.692 -5.543) 8.646 9.532 ( -1.603 -1.603 7.470) 7.806 9.727 ( -1.319 -1.319 -0.003) 1.865 10.857 ( 1.079 1.079 -12.149) 12.244 11.151 ( -0.835 -0.835 -2.752) 2.995 11.324 ( 7.637 7.637 0.795) 10.830 11.865 ( -1.648 -1.648 -9.248) 9.537 13.594 ( -1.966 -1.966 12.751) 13.051 14.561 ( -11.468 -11.468 0.427) 16.224 19.277 ( -1.126 -1.126 0.588) 1.698 19.776 ( -10.137 -10.137 0.084) 14.336 20.661 ( 16.944 16.944 -13.094) 27.307 21.314 ( 14.472 14.472 5.043) 21.079 22.034 ( 3.304 3.304 -4.332) 6.372 23.563 ( -0.387 -0.387 -5.820) 5.845 23.682 ( -1.322 -1.322 -3.111) 3.630 24.046 ( -14.924 -14.924 9.774) 23.259 ======================= Grid point 129 (38/102) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 13.761 4.618 11.517) 18.529 2.938 ( 26.421 -3.563 -6.116) 27.353 3.334 ( -3.792 12.755 -4.446) 14.030 3.367 ( 6.504 7.340 6.495) 11.763 3.770 ( 1.876 13.742 -3.645) 14.340 4.052 ( 0.210 1.074 6.476) 6.568 4.193 ( 1.740 -2.684 -1.901) 3.721 4.636 ( 2.464 0.796 -3.349) 4.233 4.741 ( 1.908 1.695 7.327) 7.759 4.804 ( -11.699 -14.849 -1.936) 19.003 5.621 ( -4.212 -0.870 -3.189) 5.354 5.790 ( -2.179 -2.324 2.658) 4.149 6.534 ( 11.306 4.845 1.230) 12.361 7.003 ( 3.239 5.156 3.086) 6.826 7.062 ( 0.603 7.275 3.182) 7.964 7.207 ( 0.556 0.251 -0.920) 1.104 7.377 ( 0.662 -6.600 -2.268) 7.010 7.630 ( -13.107 -6.924 -6.728) 16.279 8.192 ( 0.309 -1.421 0.455) 1.523 8.260 ( -2.190 -0.907 -1.942) 3.064 9.561 ( -3.146 -0.434 -1.090) 3.358 9.716 ( -4.310 -1.132 0.278) 4.465 10.728 ( 6.998 0.519 -4.128) 8.141 11.153 ( -2.616 -0.731 3.239) 4.227 11.437 ( 7.067 4.888 2.117) 8.849 11.760 ( -1.239 -1.386 -1.473) 2.372 13.712 ( 1.967 -0.993 4.151) 4.700 14.387 ( -14.023 -6.346 -5.126) 16.223 19.279 ( -0.732 -0.202 0.574) 0.952 19.656 ( -12.114 -4.327 -2.178) 13.047 20.730 ( 18.127 10.353 -2.695) 21.049 21.540 ( 10.385 4.292 6.324) 12.894 22.055 ( 12.549 5.923 -1.780) 13.990 23.439 ( 0.800 -4.840 -3.130) 5.820 23.665 ( -5.535 4.908 -3.541) 8.202 23.979 ( -17.417 -12.040 5.944) 21.991 ======================= Grid point 130 (39/102) ======================= q-point: (-0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 21.487 -7.020 -11.009) 25.143 2.995 ( 19.002 0.569 4.976) 19.651 3.298 ( -3.100 3.213 -7.378) 8.624 3.486 ( 8.772 -4.946 2.933) 10.488 3.927 ( -0.367 6.887 -1.529) 7.064 4.062 ( 2.096 -12.940 -0.337) 13.113 4.222 ( 0.544 5.617 9.684) 11.209 4.520 ( 2.224 -1.394 -13.712) 13.961 4.604 ( -6.782 -2.148 -7.659) 10.453 4.757 ( -3.291 0.745 -0.979) 3.513 5.589 ( -3.604 3.488 -3.367) 6.041 5.769 ( -3.923 -2.790 -0.517) 4.842 6.562 ( 12.274 -1.334 -0.647) 12.363 7.063 ( 4.287 -3.013 3.213) 6.147 7.136 ( -1.004 -11.341 -5.280) 12.550 7.194 ( 1.385 2.360 -1.405) 3.076 7.309 ( -2.772 9.105 4.540) 10.545 7.603 ( -12.070 6.322 1.547) 13.713 8.150 ( 1.088 -0.253 -3.605) 3.774 8.256 ( -2.667 2.220 0.248) 3.479 9.507 ( -1.696 0.891 -6.369) 6.650 9.704 ( -5.734 0.346 -0.522) 5.768 10.778 ( 8.719 4.259 6.117) 11.471 11.202 ( -4.177 -3.367 6.394) 8.347 11.496 ( 7.850 -2.792 3.074) 8.880 11.803 ( -2.075 1.887 7.121) 7.653 13.646 ( 4.387 -5.160 -7.639) 10.209 14.294 ( -15.629 6.065 -6.125) 17.849 19.278 ( -0.464 -0.720 0.030) 0.857 19.604 ( -12.762 2.233 -2.567) 13.208 20.863 ( 19.648 4.142 6.955) 21.250 21.608 ( 7.097 -8.373 6.055) 12.536 22.110 ( 17.269 2.670 0.456) 17.480 23.391 ( -2.329 3.638 -1.182) 4.478 23.697 ( -5.709 6.209 -2.367) 8.761 23.896 ( -17.067 -9.110 2.188) 19.469 ======================= Grid point 131 (40/102) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 19.316 -9.709 -14.002) 25.757 2.864 ( 24.915 -12.134 -10.568) 29.659 3.286 ( 2.174 1.087 -1.435) 2.822 3.373 ( -1.112 -9.041 -2.058) 9.338 3.869 ( 7.660 -13.717 2.680) 15.938 3.923 ( 3.179 -7.527 -4.463) 9.311 4.072 ( 6.052 -8.897 -23.921) 26.229 4.406 ( 2.205 -1.640 12.190) 12.496 4.535 ( -4.177 2.855 -4.431) 6.726 4.916 ( -10.531 16.222 1.638) 19.410 5.603 ( -0.565 6.084 -4.596) 7.646 5.712 ( -7.105 -1.230 -1.910) 7.460 6.469 ( 11.178 -8.392 -2.584) 14.214 6.891 ( -1.245 -6.616 -3.601) 7.635 7.103 ( 3.124 -1.917 3.578) 5.122 7.157 ( 3.910 -2.656 -3.765) 6.043 7.486 ( -5.495 9.281 -0.384) 10.793 7.746 ( -11.339 9.817 0.459) 15.005 8.106 ( -0.170 2.220 -3.467) 4.121 8.347 ( -5.296 6.769 3.924) 9.448 9.377 ( 1.334 -0.590 -11.007) 11.103 9.742 ( -5.246 2.451 3.985) 7.029 10.986 ( 5.848 6.318 8.903) 12.384 11.253 ( -6.000 -3.511 6.751) 9.690 11.475 ( 9.911 -9.527 6.697) 15.292 12.017 ( -2.768 3.581 15.251) 15.909 13.375 ( 3.346 -4.969 -17.191) 18.205 14.319 ( -13.801 12.553 -9.504) 20.937 19.266 ( -1.139 -0.481 -0.268) 1.265 19.633 ( -11.265 7.044 -2.380) 13.498 21.058 ( 21.919 -0.794 15.413) 26.807 21.489 ( 8.502 -19.416 3.955) 21.562 22.157 ( 8.985 -0.879 4.904) 10.274 23.484 ( -3.924 13.457 -4.245) 14.647 23.757 ( -7.552 6.910 -2.775) 10.606 23.802 ( -10.392 -8.111 2.802) 13.478 ======================= Grid point 132 (41/102) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 14.991 -14.991 -17.156) 27.272 2.446 ( 24.188 -24.188 -10.221) 35.701 3.007 ( 18.036 -18.036 -16.170) 30.201 3.317 ( -7.798 7.798 -10.586) 15.286 3.495 ( 12.003 -12.003 -11.572) 20.544 3.748 ( 12.143 -12.143 3.607) 17.547 3.866 ( 6.822 -6.822 -2.497) 9.966 4.567 ( -2.992 2.992 4.359) 6.074 4.612 ( 0.905 -0.905 16.878) 16.926 5.109 ( -12.125 12.125 -3.667) 17.536 5.560 ( -0.674 0.674 -5.920) 5.996 5.739 ( -6.765 6.765 -1.041) 9.624 6.298 ( 10.353 -10.353 -0.734) 14.659 6.842 ( -0.822 0.822 1.217) 1.683 7.047 ( 3.026 -3.026 -3.541) 5.554 7.132 ( 0.932 -0.932 2.393) 2.731 7.511 ( -7.283 7.283 -12.006) 15.819 7.865 ( -8.718 8.718 -1.595) 12.432 8.098 ( -2.674 2.674 -2.473) 4.518 8.542 ( -8.967 8.967 5.926) 13.998 9.170 ( 2.428 -2.428 -12.409) 12.875 9.912 ( -4.060 4.060 12.431) 13.693 11.110 ( -2.046 2.046 -2.652) 3.925 11.344 ( -1.917 1.917 6.824) 7.343 11.488 ( 12.573 -12.573 16.451) 24.224 12.346 ( -3.223 3.223 20.557) 21.057 12.999 ( 2.756 -2.756 -24.998) 25.300 14.313 ( -12.669 12.669 -14.374) 22.969 19.265 ( -1.098 1.098 -0.174) 1.562 19.717 ( -9.840 9.840 -2.036) 14.065 21.207 ( 15.301 -15.301 -2.155) 21.746 21.334 ( 14.175 -14.175 28.288) 34.671 22.235 ( 2.243 -2.243 7.304) 7.963 23.531 ( -14.358 14.358 -16.752) 26.324 23.751 ( -0.629 0.629 1.154) 1.457 23.864 ( -2.166 2.166 5.738) 6.504 ======================= Grid point 134 (42/102) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 8.046 -48.357 -0.000) 49.022 1.253 ( 25.402 -8.283 -0.000) 26.719 2.381 ( 49.915 -2.311 -0.000) 49.968 3.159 ( 6.490 -6.057 -0.000) 8.878 3.234 ( -4.760 3.018 0.000) 5.636 3.587 ( 18.069 -2.964 -0.000) 18.311 3.638 ( 15.697 -5.352 -0.000) 16.584 4.854 ( -9.624 -1.354 0.000) 9.719 5.060 ( 4.824 1.339 -0.000) 5.006 5.182 ( -2.510 12.907 0.000) 13.149 5.478 ( 0.493 0.349 -0.000) 0.604 5.850 ( 0.915 5.862 0.000) 5.933 6.197 ( -9.327 -11.165 -0.000) 14.548 6.882 ( -5.801 -0.974 0.000) 5.882 7.080 ( 0.906 3.450 0.000) 3.566 7.107 ( 0.154 0.066 -0.000) 0.168 7.174 ( -1.834 0.663 0.000) 1.950 8.007 ( -6.264 4.291 0.000) 7.592 8.082 ( -5.117 -1.064 0.000) 5.227 8.814 ( 1.413 -2.459 -0.000) 2.836 8.890 ( -12.640 4.639 0.000) 13.464 10.504 ( -23.700 4.821 0.000) 24.185 10.914 ( 8.065 0.300 -0.000) 8.071 11.581 ( 3.238 4.842 0.000) 5.825 11.747 ( 16.621 -6.114 -0.000) 17.710 12.077 ( 8.944 -5.804 -0.000) 10.662 12.869 ( -3.362 1.200 0.000) 3.570 14.218 ( -13.144 5.034 0.000) 14.075 19.338 ( 0.035 3.386 0.000) 3.386 20.012 ( -9.143 13.359 0.000) 16.188 20.619 ( 0.321 -19.343 -0.000) 19.346 21.927 ( 24.007 -0.141 -0.000) 24.007 22.048 ( -15.402 -12.811 0.000) 20.033 23.552 ( -0.971 13.351 0.000) 13.387 23.765 ( -1.783 0.035 0.000) 1.784 24.056 ( -2.521 1.222 0.000) 2.802 ======================= Grid point 135 (43/102) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 10.762 -0.000 14.303) 17.899 1.448 ( 21.728 -0.000 28.281) 35.664 2.476 ( 48.054 0.000 14.836) 50.292 3.106 ( 5.551 0.000 -1.294) 5.700 3.334 ( -4.984 -0.000 9.812) 11.005 3.574 ( 18.106 0.000 0.114) 18.107 3.596 ( 16.899 0.000 0.366) 16.903 4.798 ( -7.292 -0.000 -6.386) 9.693 4.835 ( 2.255 0.000 -19.858) 19.986 5.463 ( -0.790 -0.000 10.705) 10.735 5.513 ( 2.007 -0.000 6.130) 6.450 5.828 ( -11.874 0.000 -21.303) 24.389 5.963 ( 10.364 0.000 4.850) 11.443 6.879 ( -3.717 -0.000 0.075) 3.718 7.091 ( 0.510 0.000 -2.789) 2.835 7.154 ( -1.501 0.000 -2.844) 3.216 7.375 ( -10.138 -0.000 25.549) 27.486 8.067 ( -4.411 -0.000 1.371) 4.619 8.070 ( -6.750 -0.000 1.999) 7.040 8.801 ( -6.866 -0.000 -1.123) 6.957 8.967 ( -5.258 -0.000 7.061) 8.803 10.296 ( -5.310 0.000 -23.215) 23.814 11.018 ( 0.716 -0.000 7.497) 7.531 11.410 ( 10.908 0.000 -20.706) 23.404 11.584 ( 3.437 0.000 -4.590) 5.734 12.491 ( -1.332 -0.000 36.450) 36.475 12.734 ( -3.014 0.000 -14.433) 14.744 14.380 ( -12.460 -0.000 14.336) 18.994 19.368 ( -0.162 -0.000 0.226) 0.278 20.150 ( -9.420 -0.000 0.935) 9.466 20.443 ( 0.051 0.000 -0.213) 0.219 21.450 ( 19.251 0.000 -35.963) 40.791 22.159 ( 0.744 -0.000 5.225) 5.277 23.625 ( -6.617 -0.000 -1.871) 6.877 23.894 ( -3.930 -0.000 13.006) 13.587 24.027 ( 1.192 0.000 -3.966) 4.142 ======================= Grid point 139 (44/102) ======================= q-point: (-0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 1.789 1.789 0.183) 2.536 3.080 ( -0.463 -0.463 -9.179) 9.202 3.361 ( 14.610 14.610 -0.917) 20.682 3.606 ( 5.152 5.152 5.721) 9.264 3.761 ( 11.970 11.970 -3.401) 17.267 4.137 ( -0.640 -0.640 3.130) 3.259 4.214 ( -1.668 -1.668 5.886) 6.341 4.490 ( -2.724 -2.724 -11.131) 11.779 4.645 ( -9.518 -9.518 0.861) 13.488 4.728 ( -1.883 -1.883 -10.523) 10.855 5.535 ( 0.814 0.814 -4.373) 4.522 5.756 ( -4.957 -4.957 -0.520) 7.030 6.688 ( 9.134 9.134 -1.409) 12.994 7.121 ( 3.570 3.570 5.315) 7.331 7.151 ( 4.025 4.025 3.759) 6.822 7.202 ( -0.271 -0.271 2.163) 2.197 7.294 ( -11.016 -11.016 -10.609) 18.849 7.412 ( -1.693 -1.693 1.763) 2.973 8.176 ( -0.034 -0.034 -2.723) 2.724 8.209 ( -0.644 -0.644 -2.090) 2.280 9.490 ( 0.836 0.836 -4.649) 4.797 9.653 ( -3.260 -3.260 -1.681) 4.907 10.816 ( 6.513 6.513 3.809) 9.967 11.194 ( -4.607 -4.607 7.071) 9.615 11.581 ( 4.858 4.858 5.718) 8.938 11.765 ( -1.807 -1.807 5.025) 5.638 13.765 ( 2.126 2.126 -2.366) 3.826 14.090 ( -8.494 -8.494 -10.890) 16.214 19.291 ( 0.701 0.701 0.527) 1.122 19.487 ( -5.977 -5.977 -2.918) 8.943 20.976 ( 14.948 14.948 4.602) 21.634 21.687 ( -7.420 -7.420 11.806) 15.796 22.274 ( 21.392 21.392 -4.146) 30.536 23.316 ( -8.589 -8.589 -5.598) 13.375 23.593 ( 0.758 0.758 -0.029) 1.073 23.858 ( -11.913 -11.913 4.783) 17.513 ======================= Grid point 141 (45/102) ======================= q-point: (-0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 11.665 -10.730 -10.840) 19.202 3.056 ( -9.962 10.372 -8.008) 16.460 3.363 ( 25.440 -6.294 -4.810) 26.645 3.647 ( 4.196 -3.944 2.071) 6.120 3.911 ( 5.474 5.287 -1.889) 7.841 4.117 ( 2.080 -5.015 1.289) 5.580 4.293 ( 2.662 -7.813 -14.935) 17.064 4.338 ( -7.431 6.233 -2.649) 10.055 4.455 ( 0.396 -3.407 6.021) 6.929 4.632 ( -10.691 3.702 -0.010) 11.314 5.510 ( 1.390 5.646 -4.910) 7.610 5.652 ( -7.193 -4.372 -4.180) 9.398 6.717 ( 12.678 -0.143 -3.145) 13.063 6.976 ( -4.813 -10.349 -7.991) 13.933 7.185 ( 4.350 -2.675 2.355) 5.624 7.222 ( 4.541 0.852 -0.197) 4.624 7.308 ( -3.981 6.844 0.890) 7.968 7.453 ( -11.749 6.149 0.598) 13.274 8.113 ( 2.373 -1.090 -3.503) 4.370 8.207 ( -4.156 4.052 -0.704) 5.847 9.433 ( 5.084 -0.516 -5.478) 7.492 9.609 ( -6.678 2.661 -0.916) 7.247 11.001 ( 7.418 5.867 7.392) 12.004 11.219 ( -7.477 -5.630 5.728) 10.973 11.711 ( 8.860 -4.882 10.697) 14.723 11.910 ( -5.177 3.675 13.247) 14.690 13.584 ( 9.881 -10.600 -12.761) 19.309 13.945 ( -15.143 11.208 -11.448) 22.045 19.289 ( 2.080 -1.806 -0.215) 2.763 19.427 ( -7.975 2.813 -1.737) 8.634 21.280 ( 19.615 10.943 11.645) 25.300 21.720 ( -9.899 -15.939 12.955) 22.801 22.403 ( 26.821 5.669 -5.218) 27.906 23.141 ( -21.748 2.548 -9.067) 23.699 23.656 ( 1.814 4.072 3.105) 5.433 23.793 ( -7.547 -7.225 4.029) 11.198 ======================= Grid point 142 (46/102) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 13.058 -13.058 -15.162) 23.894 2.985 ( 1.895 -1.895 -14.529) 14.774 3.156 ( 8.651 -8.651 -3.478) 12.719 3.502 ( 16.545 -16.545 -2.402) 23.521 3.834 ( 11.204 -11.204 -16.067) 22.566 3.927 ( -1.512 1.512 -1.292) 2.498 4.051 ( 8.290 -8.290 2.312) 11.950 4.415 ( -8.388 8.388 0.630) 11.879 4.654 ( 1.348 -1.348 16.279) 16.390 4.775 ( -10.550 10.550 1.589) 15.004 5.518 ( -2.210 2.210 -6.837) 7.518 5.544 ( -6.015 6.015 -4.826) 9.780 6.585 ( 9.849 -9.849 -2.305) 14.118 6.835 ( -0.100 0.100 -2.392) 2.396 7.145 ( 4.052 -4.052 -4.224) 7.118 7.167 ( 1.688 -1.688 -0.644) 2.472 7.344 ( -4.796 4.796 -7.089) 9.811 7.587 ( -10.848 10.848 -0.483) 15.348 8.057 ( 0.177 -0.177 -2.542) 2.554 8.304 ( -7.881 7.881 2.236) 11.367 9.282 ( 5.705 -5.705 -7.550) 11.050 9.724 ( -8.619 8.619 4.406) 12.962 11.110 ( 1.831 -1.831 1.254) 2.877 11.276 ( -2.948 2.948 5.714) 7.074 11.815 ( 10.582 -10.582 17.839) 23.284 12.234 ( -4.978 4.978 19.693) 20.913 13.186 ( 10.128 -10.128 -19.457) 24.160 13.931 ( -14.639 14.639 -15.132) 25.644 19.261 ( 0.972 -0.972 -0.177) 1.387 19.480 ( -7.133 7.133 -1.191) 10.157 21.597 ( 11.178 -11.178 3.014) 16.093 21.634 ( 7.650 -7.650 22.609) 25.064 22.341 ( 6.514 -6.514 1.605) 9.350 23.093 ( -16.705 16.705 -16.423) 28.772 23.746 ( 0.321 -0.321 2.140) 2.187 23.812 ( -1.760 1.760 5.495) 6.033 ======================= Grid point 144 (47/102) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 21.473 -10.454 -0.000) 23.882 1.794 ( 6.584 -50.026 -0.000) 50.457 2.980 ( 15.922 1.037 -0.000) 15.956 3.173 ( 19.108 1.121 -0.000) 19.141 3.385 ( 8.728 -10.943 -0.000) 13.998 3.865 ( 7.472 -3.346 -0.000) 8.187 3.907 ( 16.018 -4.866 -0.000) 16.741 4.728 ( -11.890 -4.276 0.000) 12.635 4.904 ( -6.154 17.692 0.000) 18.732 5.110 ( 7.125 3.420 -0.000) 7.903 5.459 ( -1.618 2.092 0.000) 2.645 5.667 ( -11.050 7.393 0.000) 13.295 6.342 ( 4.508 -11.117 -0.000) 11.996 6.849 ( -1.233 -0.793 0.000) 1.466 7.038 ( 1.461 3.682 0.000) 3.961 7.118 ( 0.651 -0.854 -0.000) 1.074 7.139 ( -1.615 0.802 0.000) 1.803 7.824 ( -8.096 7.648 0.000) 11.137 8.020 ( -4.508 -0.210 0.000) 4.513 8.616 ( -13.923 7.816 0.000) 15.967 8.910 ( 3.076 -7.180 -0.000) 7.811 10.103 ( -22.529 6.479 0.000) 23.442 11.041 ( 10.766 0.421 -0.000) 10.775 11.538 ( 2.723 7.221 0.000) 7.717 12.114 ( 17.742 -12.161 -0.000) 21.510 12.269 ( 6.274 -6.570 -0.000) 9.084 12.793 ( -4.355 2.048 0.000) 4.812 13.912 ( -16.127 9.808 0.000) 18.875 19.294 ( 0.718 3.128 0.000) 3.209 19.717 ( -7.696 11.679 0.000) 13.987 20.939 ( -0.201 -26.015 -0.000) 26.016 22.003 ( -21.420 -16.432 0.000) 26.997 22.248 ( 24.941 2.915 -0.000) 25.111 23.318 ( 2.709 21.459 0.000) 21.629 23.747 ( -1.259 -0.825 0.000) 1.505 23.985 ( -4.137 2.056 0.000) 4.620 ======================= Grid point 145 (48/102) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 8.870 -39.838 7.086) 41.424 1.790 ( 20.096 -6.553 22.579) 30.929 3.085 ( 32.126 0.137 11.987) 34.290 3.241 ( 8.028 -2.216 2.275) 8.633 3.261 ( 2.220 -2.995 4.363) 5.739 3.821 ( 13.724 -2.060 -0.290) 13.881 3.855 ( 15.929 -2.295 -0.351) 16.097 4.660 ( -11.788 -1.118 -2.870) 12.184 4.865 ( 2.945 1.911 -19.291) 19.608 5.296 ( -5.393 16.607 2.800) 17.684 5.498 ( -1.057 1.386 1.578) 2.351 5.715 ( -9.430 -4.524 -1.213) 10.529 6.172 ( 10.222 -7.529 1.373) 12.770 6.862 ( 0.618 -0.570 2.624) 2.755 7.072 ( 0.543 2.887 -1.741) 3.414 7.138 ( -1.238 -0.498 -1.199) 1.794 7.262 ( -5.637 0.525 16.168) 17.130 7.927 ( -6.995 5.185 1.740) 8.879 8.020 ( -5.720 -1.564 1.502) 6.117 8.641 ( -12.782 2.887 -5.504) 14.213 8.938 ( 0.029 -1.578 10.933) 11.046 10.101 ( -17.986 2.826 -7.918) 19.854 11.062 ( 6.707 0.456 0.690) 6.758 11.569 ( 6.188 3.617 -10.531) 12.739 11.681 ( 11.157 -6.416 -17.966) 22.101 12.542 ( 4.940 -2.637 20.691) 21.435 12.681 ( -2.513 1.311 -8.408) 8.873 14.152 ( -15.018 5.286 15.318) 22.094 19.341 ( 0.192 3.088 0.113) 3.096 19.900 ( -8.621 12.503 1.653) 15.276 20.609 ( -1.023 -19.811 -0.614) 19.846 21.628 ( -4.960 -11.085 -19.775) 23.206 22.280 ( 16.585 1.187 -1.621) 16.706 23.519 ( -3.979 5.086 -2.663) 6.985 23.808 ( -3.282 3.674 6.353) 8.040 24.016 ( 0.313 3.015 1.501) 3.383 ======================= Grid point 146 (49/102) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 8.229 -0.000 16.834) 18.738 2.156 ( 16.885 -0.000 28.062) 32.750 3.135 ( 4.973 0.000 -5.169) 7.173 3.331 ( 30.200 0.000 15.031) 33.733 3.464 ( 0.775 -0.000 18.893) 18.909 3.815 ( 13.667 0.000 1.457) 13.744 3.832 ( 16.193 0.000 -0.074) 16.194 4.571 ( 2.605 0.000 -18.046) 18.233 4.607 ( -7.133 -0.000 -3.312) 7.864 5.360 ( -18.253 -0.000 -13.408) 22.648 5.541 ( -0.711 -0.000 5.068) 5.117 5.677 ( 2.153 -0.000 7.058) 7.379 6.218 ( 11.062 0.000 6.961) 13.070 6.906 ( 3.503 0.000 3.420) 4.896 7.070 ( 2.367 0.000 -1.176) 2.643 7.081 ( -0.493 0.000 -4.540) 4.567 7.506 ( -12.382 -0.000 12.065) 17.287 8.016 ( -6.685 -0.000 1.262) 6.803 8.019 ( -5.886 -0.000 3.386) 6.790 8.572 ( -12.644 -0.000 -5.829) 13.923 9.143 ( -0.120 -0.000 15.999) 16.000 9.979 ( -6.127 0.000 -9.189) 11.044 11.022 ( -2.837 0.000 -8.648) 9.101 11.297 ( 13.138 0.000 -11.787) 17.650 11.530 ( 3.462 0.000 -8.582) 9.254 12.348 ( -4.211 0.000 -20.150) 20.586 13.015 ( 0.986 -0.000 26.779) 26.797 14.449 ( -13.149 -0.000 16.661) 21.224 19.369 ( -0.233 -0.000 0.269) 0.356 20.058 ( -9.509 -0.000 4.073) 10.344 20.441 ( 0.297 0.000 -0.305) 0.425 21.187 ( 9.852 0.000 -24.871) 26.751 22.223 ( 9.527 0.000 -6.458) 11.510 23.484 ( -6.758 -0.000 -3.132) 7.448 23.882 ( -6.075 -0.000 -0.048) 6.075 24.141 ( 3.790 -0.000 8.617) 9.414 ======================= Grid point 152 (50/102) ======================= q-point: (-0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -0.410 -0.410 -13.332) 13.345 2.734 ( 0.410 0.410 -13.332) 13.345 3.580 ( -1.798 -1.798 -1.785) 3.107 3.580 ( 1.798 1.798 -1.785) 3.107 4.039 ( -7.178 -7.178 -4.636) 11.160 4.039 ( 7.178 7.178 -4.636) 11.160 4.139 ( -1.445 -1.445 -6.320) 6.642 4.139 ( 1.445 1.445 -6.320) 6.642 4.645 ( -1.664 -1.664 13.293) 13.500 4.645 ( 1.664 1.664 13.293) 13.500 5.467 ( -5.554 -5.554 -7.459) 10.832 5.467 ( 5.554 5.554 -7.459) 10.832 6.791 ( -5.347 -5.347 -4.497) 8.799 6.791 ( 5.347 5.347 -4.497) 8.799 7.226 ( -0.845 -0.845 -4.853) 4.998 7.226 ( 0.845 0.845 -4.853) 4.998 7.315 ( -2.403 -2.403 0.633) 3.457 7.315 ( 2.403 2.403 0.633) 3.457 8.125 ( -0.801 -0.801 -1.366) 1.774 8.125 ( 0.801 0.801 -1.366) 1.774 9.480 ( -3.038 -3.038 -1.929) 4.710 9.480 ( 3.038 3.038 -1.929) 4.710 11.187 ( -5.776 -5.776 4.014) 9.101 11.187 ( 5.776 5.776 4.014) 9.101 12.064 ( -2.807 -2.807 18.938) 19.349 12.064 ( 2.807 2.807 18.938) 19.349 13.528 ( -0.461 -0.461 -16.625) 16.638 13.528 ( 0.461 0.461 -16.625) 16.638 19.327 ( -1.258 -1.258 -0.500) 1.848 19.327 ( 1.258 1.258 -0.500) 1.848 21.749 ( -17.693 -17.693 15.256) 29.305 21.749 ( 17.693 17.693 15.256) 29.305 22.643 ( -19.747 -19.747 -10.557) 29.855 22.643 ( 19.747 19.747 -10.557) 29.855 23.769 ( -4.580 -4.580 3.647) 7.434 23.769 ( 4.580 4.580 3.647) 7.434 ======================= Grid point 155 (51/102) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 17.576 -10.497 -0.000) 20.472 2.508 ( 3.859 -34.867 -0.000) 35.080 2.881 ( -6.000 -1.567 0.000) 6.201 3.654 ( 29.069 -4.054 -0.000) 29.350 3.662 ( 3.073 -8.037 -0.000) 8.604 3.803 ( -13.030 -2.132 0.000) 13.204 4.151 ( 10.363 -0.351 -0.000) 10.369 4.548 ( -8.787 17.925 0.000) 19.963 4.742 ( 3.000 -8.264 -0.000) 8.792 5.176 ( 9.677 3.021 -0.000) 10.138 5.313 ( -12.372 7.787 0.000) 14.619 5.438 ( -2.898 8.232 0.000) 8.727 6.567 ( 6.796 -8.772 -0.000) 11.096 6.831 ( -0.555 2.886 0.000) 2.939 7.048 ( 2.874 -0.304 -0.000) 2.890 7.109 ( -1.065 0.827 0.000) 1.348 7.167 ( 3.662 -3.388 -0.000) 4.989 7.583 ( -8.395 10.114 0.000) 13.144 7.991 ( -1.187 -2.421 -0.000) 2.697 8.315 ( -12.447 8.145 0.000) 14.875 9.098 ( 4.694 -12.190 -0.000) 13.062 9.715 ( -20.092 6.685 0.000) 21.175 11.191 ( 11.587 0.572 -0.000) 11.601 11.456 ( 1.832 9.180 0.000) 9.361 12.431 ( 4.423 -6.322 -0.000) 7.715 12.554 ( 15.694 -15.558 -0.000) 22.098 12.700 ( -3.117 1.893 0.000) 3.647 13.510 ( -17.921 13.832 0.000) 22.638 19.285 ( 2.421 0.928 -0.000) 2.593 19.488 ( -5.172 8.430 0.000) 9.890 21.308 ( -3.743 -30.283 -0.000) 30.513 21.885 ( -27.679 -14.964 0.000) 31.466 22.533 ( 25.869 6.533 -0.000) 26.681 23.051 ( 6.825 26.111 0.000) 26.988 23.759 ( -0.069 -2.329 -0.000) 2.330 23.894 ( -4.594 2.068 0.000) 5.038 ======================= Grid point 156 (52/102) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 9.271 -40.535 2.116) 41.635 2.172 ( 14.887 -14.366 18.463) 27.729 3.040 ( -6.680 7.252 9.879) 13.957 3.489 ( 8.829 -11.567 -2.123) 14.706 3.661 ( 28.076 -3.141 7.196) 29.154 3.830 ( -15.102 1.780 1.604) 15.290 4.115 ( 15.386 -2.212 -1.585) 15.624 4.602 ( 0.633 -2.459 -3.818) 4.585 4.788 ( -3.617 11.058 -3.376) 12.115 5.037 ( -2.078 6.594 -16.643) 18.022 5.427 ( -5.199 3.322 2.996) 6.858 5.645 ( -1.019 4.025 9.492) 10.360 6.424 ( 8.806 -8.928 -0.510) 12.551 6.891 ( 3.271 1.758 3.448) 5.068 7.060 ( 1.940 0.058 0.267) 1.959 7.135 ( -0.209 -0.771 1.273) 1.503 7.201 ( -2.810 -0.150 8.691) 9.135 7.728 ( -7.782 8.773 1.553) 11.829 7.972 ( -3.669 -1.920 1.355) 4.357 8.398 ( -12.711 5.678 -2.590) 14.161 9.012 ( 2.094 -6.937 7.606) 10.506 9.781 ( -20.027 4.042 -0.999) 20.456 11.173 ( 10.356 1.355 -4.778) 11.486 11.548 ( 3.722 7.342 -4.194) 9.238 11.959 ( 9.363 -10.320 -23.533) 27.350 12.564 ( -4.554 1.410 -17.431) 18.071 12.759 ( 10.423 -6.272 25.397) 28.160 13.828 ( -16.335 9.937 16.646) 25.351 19.309 ( 1.415 2.488 -0.094) 2.864 19.630 ( -6.443 10.748 1.406) 12.610 20.895 ( -3.880 -25.098 -2.479) 25.517 21.641 ( -19.231 -15.886 -4.894) 25.419 22.523 ( 23.381 5.491 -10.315) 26.139 23.371 ( 0.968 12.985 0.552) 13.033 23.726 ( -3.490 0.977 -0.328) 3.639 23.966 ( 0.224 4.160 4.994) 6.504 ======================= Grid point 157 (53/102) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 7.501 -32.877 11.769) 35.717 2.400 ( 14.253 -3.850 24.556) 28.653 3.219 ( 0.547 -0.671 -2.927) 3.053 3.362 ( -1.284 -2.492 6.296) 6.892 3.820 ( 23.955 -1.459 18.622) 30.376 3.879 ( -7.021 0.725 2.372) 7.446 4.061 ( 15.895 -1.106 -2.140) 16.077 4.540 ( -0.078 -1.512 -0.439) 1.576 4.627 ( 4.674 -0.788 -18.276) 18.881 5.028 ( -14.330 11.006 -9.356) 20.348 5.517 ( -2.374 1.252 5.204) 5.855 5.752 ( 2.511 -2.975 4.688) 6.093 6.372 ( 8.940 -1.947 3.272) 9.717 6.969 ( 5.639 -0.014 4.749) 7.373 7.072 ( 1.065 0.383 -0.773) 1.371 7.112 ( 1.564 -1.003 -0.073) 1.860 7.353 ( -8.976 0.496 8.192) 12.162 7.855 ( -8.527 5.730 1.200) 10.343 7.979 ( -3.869 -2.041 3.411) 5.547 8.395 ( -10.419 2.003 -3.831) 11.281 9.144 ( 0.166 -0.672 15.154) 15.170 9.805 ( -15.196 1.897 -0.804) 15.335 11.048 ( 5.537 0.297 -14.357) 15.390 11.479 ( 7.974 -1.843 -11.096) 13.788 11.582 ( 4.987 -1.564 -11.078) 12.249 12.284 ( -4.410 0.702 -19.490) 19.995 13.086 ( 7.771 -1.646 23.282) 24.599 14.219 ( -13.823 5.933 18.585) 23.909 19.346 ( 0.256 2.549 0.066) 2.563 19.825 ( -8.667 10.800 4.127) 14.450 20.570 ( -1.768 -15.652 -2.083) 15.889 21.300 ( -6.959 -13.356 -12.363) 19.485 22.395 ( 16.842 3.136 -13.643) 21.900 23.410 ( -3.481 0.449 -2.776) 4.475 23.775 ( -6.388 2.550 0.848) 6.930 24.157 ( 5.421 6.334 8.000) 11.554 ======================= Grid point 158 (54/102) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 6.035 -0.000 14.728) 15.917 2.751 ( 12.600 -0.000 22.236) 25.558 3.071 ( 2.270 0.000 -9.503) 9.770 3.461 ( -6.757 -0.000 4.490) 8.112 3.911 ( -3.108 -0.000 1.548) 3.472 4.027 ( 12.984 0.000 -1.156) 13.036 4.160 ( 20.136 0.000 23.591) 31.016 4.363 ( 2.444 0.000 -14.200) 14.409 4.551 ( -1.291 -0.000 3.423) 3.658 4.958 ( -11.886 -0.000 -7.653) 14.137 5.616 ( -0.601 -0.000 5.815) 5.846 5.778 ( 2.476 0.000 2.265) 3.356 6.403 ( 5.226 0.000 0.843) 5.293 6.993 ( 1.330 0.000 -4.408) 4.604 7.051 ( 3.741 0.000 3.919) 5.418 7.162 ( 7.007 0.000 4.569) 8.365 7.417 ( -11.881 -0.000 -0.749) 11.905 7.894 ( -10.735 -0.000 -1.185) 10.800 8.037 ( -1.027 -0.000 5.628) 5.721 8.359 ( -7.139 -0.000 -2.388) 7.528 9.400 ( -0.224 -0.000 16.972) 16.973 9.818 ( -8.894 -0.000 0.877) 8.937 10.777 ( 1.749 0.000 -17.948) 18.033 11.337 ( 7.264 0.000 -4.493) 8.541 11.421 ( 2.673 0.000 -10.945) 11.266 12.017 ( -3.225 0.000 -15.341) 15.677 13.392 ( 4.665 -0.000 17.244) 17.863 14.520 ( -10.293 -0.000 14.318) 17.634 19.369 ( -0.243 -0.000 0.237) 0.339 20.006 ( -11.094 -0.000 7.527) 13.406 20.442 ( 0.498 0.000 -0.362) 0.615 20.951 ( 2.851 0.000 -17.483) 17.714 22.216 ( 9.475 0.000 -11.716) 15.068 23.380 ( -2.838 -0.000 -1.028) 3.018 23.801 ( -5.689 -0.000 0.468) 5.708 24.313 ( 5.103 0.000 5.489) 7.494 ======================= Grid point 164 (55/102) ======================= q-point: ( 0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 10.492 -7.096 -0.000) 12.666 2.477 ( -7.096 10.492 0.000) 12.666 3.288 ( 5.128 -35.832 -0.000) 36.197 3.288 ( -35.832 5.128 0.000) 36.197 3.943 ( 0.883 0.665 0.000) 1.105 3.943 ( 0.665 0.883 0.000) 1.105 4.233 ( 13.535 1.221 -0.000) 13.590 4.233 ( 1.221 13.535 0.000) 13.590 4.996 ( 6.886 -7.832 -0.000) 10.429 4.996 ( -7.832 6.886 0.000) 10.429 5.297 ( 5.420 3.946 0.000) 6.704 5.297 ( 3.946 5.420 0.000) 6.704 6.743 ( 1.807 -1.120 0.000) 2.126 6.743 ( -1.120 1.807 0.000) 2.126 7.085 ( 0.616 0.086 0.000) 0.622 7.085 ( 0.086 0.616 0.000) 0.622 7.335 ( 6.563 -4.435 -0.000) 7.921 7.335 ( -4.435 6.563 0.000) 7.921 8.081 ( 3.194 -6.491 -0.000) 7.234 8.081 ( -6.491 3.194 0.000) 7.234 9.372 ( 3.231 -13.827 -0.000) 14.199 9.372 ( -13.827 3.231 0.000) 14.199 11.337 ( 7.597 4.273 0.000) 8.716 11.337 ( 4.273 7.597 0.000) 8.716 12.568 ( -0.603 -2.266 0.000) 2.344 12.568 ( -2.266 -0.603 0.000) 2.344 13.048 ( 14.547 -15.823 -0.000) 21.493 13.048 ( -15.823 14.547 0.000) 21.493 19.344 ( 4.033 -1.005 -0.000) 4.156 19.344 ( -1.005 4.033 0.000) 4.156 21.646 ( -17.526 -23.425 0.000) 29.255 21.646 ( -23.425 -17.526 0.000) 29.255 22.791 ( 19.643 15.821 0.000) 25.222 22.791 ( 15.821 19.643 0.000) 25.222 23.811 ( -0.890 -1.699 0.000) 1.918 23.811 ( -1.699 -0.890 0.000) 1.918 ======================= Grid point 166 (56/102) ======================= q-point: (-0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 13.442 -12.460 6.393) 19.412 2.610 ( -0.651 -18.404 9.462) 20.704 2.894 ( -2.101 -11.087 8.502) 14.129 3.385 ( -34.077 4.553 3.490) 34.557 3.817 ( 6.763 -13.644 -1.342) 15.287 3.958 ( 6.957 -1.014 3.488) 7.848 4.293 ( 11.236 3.610 -0.384) 11.808 4.436 ( -2.235 15.980 -1.950) 16.253 4.823 ( 9.356 -4.770 -3.013) 10.925 4.977 ( -0.486 4.947 -17.747) 18.430 5.290 ( -3.628 4.640 3.242) 6.724 5.590 ( 4.609 7.015 11.989) 14.636 6.623 ( 3.419 -5.753 -3.637) 7.616 6.883 ( 2.578 4.298 7.599) 9.102 7.102 ( 0.583 -1.176 2.358) 2.699 7.143 ( -0.599 -0.226 5.235) 5.274 7.235 ( 4.513 -4.649 -1.186) 6.587 7.489 ( -6.307 9.867 1.582) 11.817 7.998 ( 0.872 -4.960 1.178) 5.172 8.162 ( -9.162 5.246 1.039) 10.609 9.182 ( 2.673 -12.149 3.330) 12.877 9.466 ( -16.774 3.483 3.053) 17.402 11.286 ( 9.221 3.223 -9.065) 13.326 11.489 ( 4.580 8.497 -0.741) 9.681 12.181 ( 1.982 -8.871 -23.923) 25.592 12.468 ( -3.438 2.807 -17.776) 18.322 13.059 ( 13.455 -12.234 22.451) 28.892 13.442 ( -15.682 13.042 18.874) 27.789 19.324 ( 3.315 0.029 -0.568) 3.363 19.439 ( -2.928 6.994 1.422) 7.715 21.150 ( -10.435 -23.447 -8.449) 27.019 21.561 ( -23.752 -17.472 6.752) 30.249 22.732 ( 20.956 10.656 -17.107) 29.075 23.215 ( 7.816 16.296 5.938) 19.024 23.687 ( -3.785 -2.485 -5.035) 6.772 23.923 ( 1.683 3.522 7.508) 8.462 ======================= Grid point 167 (57/102) ======================= q-point: (-0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 7.007 -40.562 7.167) 41.782 2.647 ( 9.308 -7.766 20.301) 23.645 3.081 ( -8.292 7.399 5.905) 12.585 3.457 ( -17.057 -3.473 -0.810) 17.426 3.627 ( -8.032 -6.705 0.989) 10.510 4.065 ( 5.619 -0.256 12.825) 14.004 4.294 ( 13.744 -1.306 -0.650) 13.821 4.554 ( 1.948 8.621 -5.502) 10.411 4.710 ( 2.157 1.794 -20.282) 20.475 4.815 ( 7.971 1.900 2.763) 8.647 5.430 ( -4.204 4.554 5.838) 8.514 5.799 ( 4.054 2.525 5.581) 7.345 6.504 ( 3.332 -4.103 -2.154) 5.708 7.070 ( 9.106 0.586 8.807) 12.682 7.093 ( 0.989 -1.006 0.766) 1.605 7.145 ( 0.194 -2.412 -1.228) 2.714 7.247 ( -5.541 0.304 4.428) 7.099 7.629 ( -9.559 7.857 0.042) 12.374 7.989 ( 0.887 -2.667 4.685) 5.463 8.236 ( -7.195 3.379 0.336) 7.956 9.180 ( 0.688 -3.955 11.325) 12.016 9.561 ( -14.972 1.652 4.696) 15.778 11.128 ( 7.294 2.145 -17.031) 18.651 11.525 ( 4.128 4.041 -6.083) 8.389 11.733 ( 3.335 -7.935 -16.968) 19.027 12.210 ( -3.467 1.674 -18.485) 18.882 13.272 ( 11.122 -6.014 20.537) 24.117 13.917 ( -12.575 10.583 20.809) 26.517 19.327 ( 1.655 1.559 -0.492) 2.326 19.586 ( -5.248 8.799 3.554) 10.844 20.753 ( -6.498 -17.349 -6.319) 19.574 21.361 ( -17.055 -19.602 0.574) 25.989 22.563 ( 16.539 7.010 -20.293) 27.101 23.378 ( 1.981 2.612 -0.425) 3.306 23.651 ( -5.116 3.135 -0.231) 6.005 24.135 ( 6.513 8.211 8.297) 13.367 ======================= Grid point 168 (58/102) ======================= q-point: (-0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 5.535 -28.656 11.308) 31.300 2.892 ( 8.587 0.215 15.706) 17.902 3.133 ( -1.950 -3.105 -4.672) 5.939 3.351 ( -9.276 -2.599 1.242) 9.712 3.654 ( -26.126 1.006 2.983) 26.315 4.200 ( 11.302 0.266 -2.396) 11.557 4.368 ( 5.321 0.473 6.586) 8.480 4.430 ( 4.387 -2.902 -3.153) 6.133 4.563 ( 3.280 2.330 -3.657) 5.437 4.898 ( 8.960 2.782 2.336) 9.669 5.582 ( -1.769 2.934 6.821) 7.633 5.840 ( 3.891 -1.621 0.510) 4.246 6.446 ( 1.215 -0.211 -2.397) 2.696 7.022 ( -0.401 -3.453 -4.750) 5.886 7.091 ( 0.321 -0.467 2.539) 2.601 7.241 ( 5.247 1.499 4.175) 6.871 7.281 ( -6.106 -0.101 -0.282) 6.114 7.718 ( -9.409 4.211 1.796) 10.464 8.057 ( 2.617 -0.949 6.622) 7.183 8.272 ( -4.156 1.334 0.673) 4.416 9.385 ( -0.319 1.432 15.630) 15.698 9.656 ( -11.856 0.358 5.875) 13.236 10.847 ( 6.022 -0.458 -18.869) 19.812 11.429 ( 3.184 -0.783 -7.916) 8.568 11.461 ( 2.693 -2.023 -11.187) 11.683 11.974 ( -2.367 0.533 -13.895) 14.106 13.496 ( 8.369 -1.754 14.933) 17.208 14.342 ( -8.348 6.556 18.187) 21.058 19.350 ( 0.282 2.089 -0.049) 2.108 19.784 ( -9.753 7.514 6.869) 14.098 20.496 ( -1.938 -7.064 -4.208) 8.448 21.050 ( -8.435 -17.671 -6.697) 20.695 22.336 ( 10.368 3.181 -17.499) 20.587 23.375 ( 1.462 -0.546 -0.088) 1.563 23.705 ( -5.492 2.365 1.251) 6.109 24.350 ( 7.342 6.509 5.216) 11.112 ======================= Grid point 169 (59/102) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 3.447 -0.000 7.241) 8.020 2.939 ( 0.180 0.000 -8.335) 8.337 3.103 ( 1.600 -0.000 3.660) 3.995 3.400 ( -10.641 -0.000 6.065) 12.248 3.717 ( -22.971 -0.000 4.016) 23.320 4.129 ( 4.867 0.000 -7.809) 9.202 4.200 ( 3.480 0.000 -7.137) 7.940 4.542 ( 2.564 0.000 0.616) 2.637 4.641 ( -0.324 -0.000 9.429) 9.434 4.963 ( 16.130 0.000 3.953) 16.607 5.698 ( 0.102 -0.000 5.062) 5.063 5.818 ( 2.259 0.000 -1.385) 2.650 6.403 ( -1.179 0.000 -2.888) 3.120 6.921 ( -1.076 0.000 -4.402) 4.531 7.134 ( -4.999 -0.000 1.018) 5.102 7.246 ( -1.651 -0.000 -0.087) 1.653 7.267 ( -1.976 -0.000 -2.236) 2.984 7.815 ( 0.740 -0.000 6.466) 6.508 8.137 ( 2.646 -0.000 4.120) 4.897 8.300 ( -1.736 -0.000 1.745) 2.461 9.627 ( -0.293 -0.000 12.115) 12.119 9.745 ( -8.490 -0.000 5.363) 10.042 10.605 ( 6.754 0.000 -10.831) 12.764 11.283 ( 1.080 0.000 -9.758) 9.818 11.318 ( 0.218 0.000 -5.397) 5.402 11.815 ( -0.719 0.000 -6.806) 6.844 13.658 ( 6.423 0.000 7.230) 9.671 14.627 ( -3.196 -0.000 12.437) 12.841 19.370 ( -0.143 -0.000 0.263) 0.300 19.969 ( -14.326 -0.000 10.055) 17.503 20.443 ( 0.524 0.000 -0.463) 0.699 20.734 ( -0.814 0.000 -12.465) 12.492 22.139 ( 5.099 0.000 -10.678) 11.833 23.375 ( 1.905 0.000 0.666) 2.018 23.747 ( -4.761 -0.000 2.073) 5.193 24.448 ( 7.056 0.000 1.197) 7.156 ======================= Grid point 176 (60/102) ======================= q-point: ( 0.60 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -12.100 -12.100 6.965) 18.475 2.661 ( -4.745 -4.745 8.078) 10.501 2.966 ( -15.414 -15.414 17.245) 27.795 3.134 ( -1.975 -1.975 3.141) 4.203 3.762 ( -5.940 -5.940 -10.282) 13.278 4.044 ( -3.107 -3.107 13.872) 14.552 4.432 ( 7.132 7.132 -0.454) 10.096 4.451 ( 6.767 6.767 -1.662) 9.713 4.708 ( 2.943 2.943 -18.339) 18.805 4.934 ( 7.527 7.527 0.674) 10.666 5.337 ( 0.282 0.282 6.875) 6.887 5.807 ( 5.054 5.054 6.279) 9.514 6.558 ( -2.452 -2.452 -4.164) 5.418 7.103 ( 2.472 2.472 4.597) 5.775 7.140 ( 0.547 0.547 6.238) 6.286 7.192 ( -1.422 -1.422 2.852) 3.490 7.215 ( 0.051 0.051 -0.898) 0.901 7.459 ( -0.466 -0.466 -0.839) 1.067 8.048 ( -0.145 -0.145 4.499) 4.503 8.129 ( -0.723 -0.723 3.466) 3.613 9.243 ( -3.131 -3.131 6.100) 7.538 9.411 ( -5.569 -5.569 9.701) 12.495 11.167 ( 5.007 5.007 -18.133) 19.466 11.523 ( 4.646 4.646 -4.853) 8.168 11.823 ( -4.529 -4.529 -18.472) 19.551 12.166 ( 0.266 0.266 -17.602) 17.606 13.488 ( -0.406 -0.406 14.600) 14.611 13.659 ( 2.636 2.636 26.626) 26.886 19.339 ( 1.325 1.325 -1.475) 2.384 19.474 ( 1.972 1.972 3.993) 4.871 20.833 ( -12.804 -12.804 -9.336) 20.373 21.377 ( -20.909 -20.909 6.800) 30.342 22.633 ( 11.574 11.574 -23.179) 28.376 23.380 ( 5.805 5.805 1.959) 8.440 23.584 ( -1.849 -1.849 -1.746) 3.144 24.121 ( 7.666 7.666 8.469) 13.757 ======================= Grid point 178 (61/102) ======================= q-point: (-0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 4.830 -39.179 8.071) 40.292 2.852 ( -29.913 3.825 8.133) 31.234 3.038 ( 4.751 -1.812 -1.275) 5.242 3.243 ( -12.895 -0.337 14.554) 19.448 3.462 ( -6.374 -8.226 -11.852) 15.772 4.269 ( 1.826 2.815 8.752) 9.373 4.417 ( 4.105 -0.045 -12.207) 12.879 4.493 ( 1.870 -1.294 0.321) 2.297 4.550 ( 2.433 5.026 -0.630) 5.619 5.062 ( 15.583 4.382 5.012) 16.946 5.495 ( -1.593 4.642 7.977) 9.366 5.901 ( 3.609 1.018 0.398) 3.771 6.458 ( -1.923 -2.545 -3.841) 4.993 7.065 ( -2.094 -1.921 -5.899) 6.547 7.067 ( -2.737 -2.856 -2.856) 4.880 7.198 ( -3.501 -0.375 -0.683) 3.586 7.346 ( 3.699 -4.078 1.676) 5.756 7.543 ( -1.499 9.004 10.743) 14.097 8.121 ( 3.665 -1.270 6.019) 7.160 8.202 ( -2.470 2.180 3.123) 4.539 9.362 ( -0.367 0.743 12.019) 12.048 9.529 ( -7.014 -1.906 10.835) 13.047 10.917 ( 4.495 1.613 -18.336) 18.947 11.452 ( 2.326 1.700 -9.726) 10.144 11.528 ( -1.249 -4.327 -12.126) 12.935 11.943 ( -0.706 0.603 -12.339) 12.373 13.644 ( 5.965 -2.941 11.367) 13.170 14.145 ( -1.853 8.958 22.803) 24.570 19.336 ( 1.282 1.353 -0.945) 2.090 19.598 ( -4.063 3.926 6.350) 8.500 20.551 ( -6.215 -8.530 -7.500) 12.947 21.153 ( -16.716 -21.137 1.708) 27.002 22.404 ( 8.297 5.854 -20.848) 23.189 23.424 ( 3.749 -0.309 0.198) 3.767 23.601 ( -2.830 3.263 1.400) 4.540 24.351 ( 8.920 9.143 5.310) 13.833 ======================= Grid point 179 (62/102) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 3.018 -26.882 4.396) 27.406 2.916 ( -7.788 1.224 -7.896) 11.158 2.979 ( -24.568 -0.936 -1.270) 24.619 3.211 ( -9.191 -3.771 -2.482) 10.240 3.531 ( -2.790 0.712 16.522) 16.771 4.154 ( -0.905 -1.353 -16.584) 16.664 4.291 ( 8.071 0.792 -4.232) 9.148 4.543 ( -1.018 -0.090 0.433) 1.110 4.631 ( -2.875 -1.281 4.940) 5.857 5.202 ( 18.754 2.895 6.250) 19.979 5.670 ( -0.539 3.554 6.522) 7.447 5.867 ( 2.893 -1.442 -3.241) 4.577 6.375 ( -2.962 -0.719 -4.161) 5.158 6.919 ( -2.687 -3.287 -5.525) 6.968 7.028 ( -6.744 1.086 -3.309) 7.590 7.169 ( -5.840 1.010 -3.993) 7.146 7.295 ( -0.297 -3.821 3.689) 5.319 7.845 ( 7.587 5.254 12.942) 15.896 8.183 ( 2.652 -0.851 3.415) 4.407 8.273 ( -0.991 1.236 3.596) 3.929 9.585 ( -0.871 3.785 10.691) 11.375 9.664 ( -4.235 -1.478 9.146) 10.187 10.705 ( 5.613 -0.519 -9.412) 10.971 11.296 ( 0.733 -0.094 -10.743) 10.768 11.323 ( -1.978 -2.309 -8.820) 9.330 11.810 ( -0.056 0.049 -5.328) 5.329 13.759 ( 6.893 -0.210 5.996) 9.138 14.560 ( 0.479 5.947 16.992) 18.009 19.352 ( 0.298 2.014 -0.111) 2.039 19.757 ( -12.140 1.219 8.990) 15.155 20.398 ( -0.692 2.323 -5.614) 6.115 20.854 ( -8.992 -19.630 -3.352) 21.850 22.191 ( 4.732 2.388 -13.843) 14.824 23.419 ( 2.989 -0.907 0.759) 3.215 23.674 ( -3.025 2.244 2.654) 4.607 24.512 ( 8.732 6.184 1.221) 10.769 ======================= Grid point 180 (63/102) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.250 0.000 -6.306) 6.311 2.797 ( -26.547 -0.000 -14.460) 30.230 2.870 ( 0.200 0.000 -0.143) 0.246 3.258 ( -19.874 -0.000 6.377) 20.872 3.730 ( 4.487 -0.000 7.502) 8.741 3.912 ( -5.869 0.000 -12.950) 14.218 4.242 ( 5.920 0.000 -1.958) 6.235 4.502 ( -5.141 0.000 -10.636) 11.813 4.582 ( -5.786 -0.000 -4.594) 7.388 5.316 ( 20.066 0.000 5.538) 20.816 5.763 ( 1.535 0.000 1.190) 1.942 5.800 ( 0.586 0.000 -2.975) 3.033 6.311 ( -4.826 -0.000 -3.558) 5.995 6.834 ( -3.580 -0.000 -1.949) 4.076 6.986 ( -6.842 -0.000 -2.667) 7.343 7.089 ( -8.702 -0.000 -5.753) 10.432 7.423 ( 5.305 -0.000 14.386) 15.333 8.042 ( 8.886 0.000 7.237) 11.460 8.198 ( 2.043 0.000 -0.204) 2.054 8.364 ( 2.665 -0.000 7.297) 7.769 9.730 ( 0.018 -0.000 0.641) 0.641 9.736 ( -3.940 -0.000 3.274) 5.123 10.634 ( 6.818 0.000 1.229) 6.928 11.180 ( -0.847 0.000 -2.998) 3.115 11.193 ( -4.138 0.000 -5.707) 7.049 11.788 ( 0.835 -0.000 2.553) 2.686 13.800 ( 8.641 0.000 -1.323) 8.741 14.805 ( 3.935 -0.000 9.060) 9.877 19.374 ( 0.012 -0.000 0.292) 0.292 19.904 ( -18.713 -0.000 10.841) 21.627 20.442 ( 0.393 0.000 -0.511) 0.645 20.559 ( -1.628 0.000 -7.799) 7.967 22.056 ( 1.791 0.000 -5.800) 6.070 23.431 ( 2.767 0.000 1.901) 3.357 23.737 ( -2.882 -0.000 3.470) 4.511 24.544 ( 8.816 0.000 -2.993) 9.310 ======================= Grid point 188 (64/102) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -17.812 -17.812 1.301) 25.223 2.442 ( -18.943 -18.943 2.080) 26.871 2.936 ( 0.374 0.374 -7.525) 7.543 3.185 ( -7.522 -7.522 -8.171) 13.414 3.520 ( 1.216 1.216 19.960) 20.034 4.157 ( -1.600 -1.600 -18.039) 18.180 4.350 ( 4.638 4.638 -4.115) 7.743 4.540 ( 0.364 0.364 -0.325) 0.609 4.609 ( -4.073 -4.073 4.376) 7.234 5.333 ( 11.111 11.111 5.336) 16.594 5.623 ( 2.102 2.102 7.670) 8.226 5.904 ( 0.463 0.463 -3.598) 3.657 6.357 ( -2.710 -2.710 -4.642) 6.019 6.925 ( -3.145 -3.145 -6.797) 8.123 6.966 ( -2.085 -2.085 -4.006) 4.975 7.116 ( -4.183 -4.183 -3.934) 7.104 7.322 ( -2.310 -2.310 4.842) 5.841 7.862 ( 8.496 8.496 14.573) 18.888 8.218 ( 0.394 0.394 2.307) 2.373 8.247 ( 0.501 0.501 5.051) 5.101 9.548 ( 1.983 1.983 10.500) 10.868 9.646 ( -1.731 -1.731 10.062) 10.356 10.750 ( 1.788 1.788 -8.467) 8.836 11.303 ( 0.287 0.287 -11.071) 11.079 11.325 ( -2.749 -2.749 -10.349) 11.055 11.810 ( 0.034 0.034 -4.707) 4.708 13.816 ( 2.746 2.746 5.170) 6.465 14.514 ( 5.648 5.648 19.229) 20.822 19.339 ( 1.285 1.285 -0.756) 1.968 19.657 ( -4.737 -4.737 8.664) 10.952 20.379 ( -1.599 -1.599 -6.939) 7.298 20.935 ( -16.667 -16.667 -0.156) 23.571 22.206 ( 3.850 3.850 -14.893) 15.857 23.455 ( 0.031 0.031 0.484) 0.486 23.628 ( 1.540 1.540 2.896) 3.624 24.528 ( 8.862 8.862 1.305) 12.601 ======================= Grid point 189 (65/102) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.117 -26.061 -8.786) 27.503 2.344 ( -36.090 -0.423 -11.527) 37.889 2.886 ( 0.231 -1.040 0.771) 1.315 3.070 ( -10.323 -3.176 2.937) 11.193 3.786 ( 5.181 2.744 9.947) 11.547 3.855 ( -5.291 -3.098 -16.148) 17.273 4.317 ( 5.041 1.125 -3.966) 6.512 4.442 ( -6.380 -3.687 -18.678) 20.079 4.519 ( -4.693 -1.730 -1.644) 5.266 5.526 ( 14.644 5.403 5.006) 16.392 5.758 ( 0.663 2.633 4.451) 5.214 5.821 ( 0.688 -1.278 -5.717) 5.898 6.252 ( -4.128 -1.262 -5.408) 6.920 6.803 ( -3.304 -2.284 -3.007) 5.018 6.909 ( -3.444 0.028 -1.679) 3.832 6.997 ( -6.570 -2.961 -3.891) 8.191 7.481 ( 2.359 -0.065 16.946) 17.110 8.112 ( 6.378 4.623 4.831) 9.241 8.228 ( 0.870 -0.869 0.101) 1.234 8.392 ( 3.404 2.283 11.840) 12.529 9.687 ( 0.997 2.599 1.698) 3.260 9.734 ( -0.653 -0.315 1.684) 1.834 10.704 ( 1.437 -1.299 1.482) 2.439 11.163 ( -2.085 -1.541 -6.167) 6.690 11.169 ( -0.916 -0.190 -4.615) 4.709 11.796 ( 0.278 -0.034 3.013) 3.026 13.902 ( 7.943 3.222 0.516) 8.587 14.830 ( 5.194 4.795 11.431) 13.440 19.355 ( 0.420 2.079 -0.092) 2.123 19.709 ( -15.279 -7.569 9.016) 19.288 20.328 ( 2.814 7.910 -4.634) 9.590 20.694 ( -8.682 -15.837 -1.786) 18.149 22.071 ( 1.787 1.291 -7.242) 7.570 23.463 ( 0.197 -1.198 2.149) 2.468 23.703 ( 0.179 1.756 3.232) 3.682 24.624 ( 8.753 5.969 -2.639) 10.918 ======================= Grid point 190 (66/102) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -1.884 0.000 -17.185) 17.288 2.110 ( -34.657 -0.000 -17.086) 38.640 2.924 ( 0.935 -0.000 4.819) 4.909 3.118 ( -12.102 -0.000 3.660) 12.643 3.612 ( -9.280 0.000 -11.748) 14.971 3.861 ( 5.754 0.000 -7.050) 9.100 3.978 ( -10.362 0.000 -31.261) 32.934 4.294 ( 3.430 0.000 0.950) 3.559 4.484 ( -6.138 -0.000 -0.985) 6.216 5.634 ( 13.970 0.000 3.737) 14.461 5.716 ( 0.299 0.000 -6.318) 6.325 5.803 ( 1.184 0.000 -0.703) 1.377 6.158 ( -6.742 -0.000 -5.958) 8.998 6.791 ( -2.755 -0.000 2.943) 4.031 6.909 ( -3.052 -0.000 1.764) 3.525 6.939 ( -4.905 -0.000 -0.631) 4.946 7.777 ( 7.420 -0.000 18.850) 20.257 8.174 ( 3.594 0.000 0.076) 3.594 8.213 ( 1.536 0.000 -0.315) 1.568 8.613 ( 7.830 -0.000 12.930) 15.117 9.637 ( -0.023 0.000 -12.313) 12.313 9.681 ( -3.885 0.000 -4.852) 6.216 10.752 ( -1.872 -0.000 6.060) 6.343 11.111 ( 1.059 0.000 1.102) 1.529 11.183 ( -1.850 -0.000 5.557) 5.857 11.903 ( 0.718 -0.000 10.949) 10.972 13.895 ( 14.466 0.000 -6.019) 15.669 14.969 ( 6.236 0.000 1.895) 6.518 19.378 ( 0.106 -0.000 0.157) 0.190 19.774 ( -23.126 -0.000 9.899) 25.156 20.439 ( 0.224 0.000 -0.347) 0.413 20.458 ( -0.503 0.000 -3.458) 3.494 22.023 ( 0.211 0.000 -0.125) 0.245 23.503 ( 0.409 -0.000 4.597) 4.616 23.765 ( -0.814 -0.000 3.090) 3.196 24.597 ( 9.466 0.000 -6.738) 11.620 ======================= Grid point 199 (67/102) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -12.819 -12.819 -17.654) 25.304 1.686 ( -14.891 -14.891 -17.215) 27.200 2.938 ( 0.604 0.604 3.641) 3.740 3.030 ( -5.461 -5.461 5.939) 9.743 3.542 ( -5.400 -5.400 -13.907) 15.866 3.874 ( -6.222 -6.222 -40.716) 41.656 3.934 ( 4.957 4.957 -0.747) 7.050 4.328 ( 1.529 1.529 0.177) 2.170 4.429 ( -4.476 -4.476 -1.174) 6.438 5.708 ( 2.810 2.810 -4.105) 5.714 5.745 ( 3.586 3.586 -1.280) 5.231 5.815 ( 0.871 0.871 0.935) 1.547 6.102 ( -3.134 -3.134 -7.249) 8.496 6.773 ( -0.926 -0.926 3.705) 3.930 6.886 ( -1.314 -1.314 2.581) 3.180 6.904 ( -2.655 -2.655 0.269) 3.765 7.833 ( 3.460 3.460 22.049) 22.586 8.188 ( 2.428 2.428 -0.483) 3.467 8.230 ( -0.307 -0.307 0.030) 0.436 8.670 ( 4.461 4.461 14.189) 15.528 9.622 ( 1.004 1.004 -11.921) 12.005 9.665 ( -1.892 -1.892 -8.810) 9.207 10.733 ( -3.492 -3.492 3.705) 6.173 11.139 ( 0.764 0.764 3.967) 4.112 11.157 ( -0.179 -0.179 4.530) 4.537 11.908 ( 0.193 0.193 11.182) 11.185 14.010 ( 9.238 9.238 -2.197) 13.248 15.010 ( 4.250 4.250 2.519) 6.517 19.364 ( 1.137 1.137 -0.046) 1.609 19.612 ( -15.163 -15.163 6.683) 22.461 20.345 ( 6.638 6.638 -1.913) 9.581 20.557 ( -8.167 -8.167 -0.936) 11.587 22.024 ( 0.246 0.246 -0.641) 0.729 23.504 ( -1.420 -1.420 4.858) 5.257 23.759 ( 1.017 1.017 2.528) 2.909 24.664 ( 6.288 6.288 -6.105) 10.786 ======================= Grid point 200 (68/102) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -1.988 0.000 -22.295) 22.383 1.370 ( -29.430 -0.000 -20.126) 35.654 2.960 ( -0.170 0.000 -30.491) 30.491 3.012 ( 1.988 -0.000 3.499) 4.024 3.182 ( -14.951 0.000 -20.404) 25.296 3.324 ( -8.642 -0.000 -8.773) 12.315 3.871 ( 4.135 0.000 -11.861) 12.561 4.387 ( 1.344 -0.000 7.322) 7.444 4.430 ( -4.362 -0.000 6.038) 7.449 5.617 ( -0.403 0.000 -6.057) 6.071 5.768 ( 3.843 0.000 -3.046) 4.904 5.779 ( 1.540 0.000 -5.202) 5.426 5.960 ( -5.288 0.000 -7.954) 9.551 6.868 ( 2.364 -0.000 7.021) 7.408 6.928 ( -1.476 -0.000 4.169) 4.422 6.945 ( -2.347 -0.000 7.132) 7.508 8.131 ( 9.101 0.000 5.408) 10.587 8.192 ( 1.370 0.000 -1.471) 2.011 8.278 ( 2.472 -0.000 11.732) 11.990 8.900 ( 5.774 -0.000 11.106) 12.517 9.386 ( -0.624 0.000 -18.577) 18.587 9.460 ( -10.305 -0.000 -11.277) 15.277 10.757 ( -4.845 -0.000 3.425) 5.933 11.245 ( 3.526 -0.000 8.630) 9.322 11.279 ( -1.347 -0.000 9.099) 9.198 12.140 ( 0.535 -0.000 18.560) 18.568 14.040 ( 20.227 0.000 -6.024) 21.105 15.007 ( 4.260 0.000 -6.908) 8.116 19.380 ( 0.083 0.000 -0.138) 0.161 19.568 ( -24.619 -0.000 6.654) 25.503 20.433 ( 0.872 0.000 -0.664) 1.096 20.439 ( 0.096 0.000 -0.008) 0.097 22.055 ( -0.424 -0.000 4.330) 4.351 23.588 ( -1.641 -0.000 7.975) 8.142 23.799 ( 0.317 -0.000 1.516) 1.548 24.594 ( 7.682 0.000 -9.517) 12.231 ======================= Grid point 210 (69/102) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -0.000 0.000 -24.592) 24.592 0.776 ( -0.000 0.000 -24.592) 24.592 2.074 ( -0.000 0.000 -64.230) 64.230 3.081 ( 0.000 -0.000 2.110) 2.110 3.081 ( 0.000 -0.000 2.110) 2.110 3.133 ( -0.000 0.000 -5.890) 5.890 3.667 ( -0.000 0.000 -16.164) 16.164 4.560 ( 0.000 -0.000 14.012) 14.012 4.560 ( 0.000 -0.000 14.012) 14.012 5.530 ( -0.000 0.000 -4.642) 4.642 5.668 ( -0.000 0.000 -10.771) 10.771 5.668 ( -0.000 0.000 -10.771) 10.771 5.808 ( -0.000 0.000 -6.353) 6.353 6.999 ( 0.000 -0.000 5.580) 5.580 6.999 ( 0.000 -0.000 5.580) 5.580 7.062 ( 0.000 -0.000 9.872) 9.872 8.177 ( -0.000 0.000 -1.660) 1.660 8.177 ( -0.000 0.000 -1.660) 1.660 8.642 ( 0.000 -0.000 19.674) 19.674 9.091 ( -0.000 0.000 -17.688) 17.688 9.091 ( -0.000 0.000 -17.688) 17.688 9.092 ( 0.000 -0.000 7.910) 7.910 10.765 ( 0.000 -0.000 2.264) 2.264 11.404 ( 0.000 -0.000 7.966) 7.966 11.404 ( 0.000 -0.000 7.966) 7.966 12.466 ( 0.000 -0.000 22.576) 22.576 14.202 ( -0.000 0.000 -0.318) 0.318 14.875 ( -0.000 0.000 -13.641) 13.641 19.377 ( -0.000 0.000 -0.351) 0.351 19.377 ( -0.000 0.000 -0.351) 0.351 20.441 ( 0.000 -0.000 0.251) 0.251 20.441 ( 0.000 -0.000 0.251) 0.251 22.135 ( 0.000 -0.000 6.080) 6.080 23.716 ( 0.000 -0.000 10.831) 10.831 23.815 ( 0.000 -0.000 0.244) 0.244 24.499 ( -0.000 0.000 -11.177) 11.177 ======================= Grid point 233 (70/102) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 8.490 8.490 9.526) 15.326 3.232 ( -3.735 -3.735 -0.336) 5.293 3.345 ( 11.945 11.945 9.153) 19.213 3.441 ( 14.001 14.001 -3.555) 20.116 3.912 ( 9.252 9.252 -5.506) 14.196 3.982 ( -0.048 -0.048 3.246) 3.247 4.282 ( 1.052 1.052 -7.076) 7.231 4.546 ( 4.262 4.262 21.059) 21.905 4.549 ( -9.829 -9.829 5.527) 14.959 4.728 ( -7.239 -7.239 -2.353) 10.504 5.609 ( -2.166 -2.166 -0.336) 3.082 5.696 ( -2.809 -2.809 4.187) 5.772 6.680 ( 11.467 11.467 2.290) 16.378 6.974 ( 3.803 3.803 5.728) 7.857 7.089 ( 3.057 3.057 -2.922) 5.218 7.235 ( 0.360 0.360 -0.572) 0.766 7.378 ( -5.077 -5.077 -1.603) 7.357 7.539 ( -11.946 -11.946 -4.680) 17.530 8.161 ( 0.117 0.117 3.325) 3.329 8.252 ( -2.790 -2.790 -1.025) 4.077 9.508 ( 0.167 0.167 4.614) 4.620 9.650 ( -3.805 -3.805 0.016) 5.381 10.920 ( 3.379 3.379 -8.644) 9.877 11.108 ( -2.315 -2.315 -2.785) 4.299 11.533 ( 6.946 6.946 -2.074) 10.040 11.802 ( -2.989 -2.989 -7.468) 8.581 13.645 ( 5.521 5.521 9.901) 12.609 14.219 ( -12.856 -12.856 2.731) 18.385 19.274 ( 1.146 1.146 0.592) 1.725 19.522 ( -7.907 -7.907 0.802) 11.211 21.077 ( 12.999 12.999 -11.796) 21.842 21.516 ( -0.562 -0.562 -0.206) 0.820 22.326 ( 17.888 17.888 0.021) 25.297 23.422 ( -13.901 -13.901 2.154) 19.777 23.654 ( -0.645 -0.645 -3.314) 3.437 23.701 ( -5.785 -5.785 1.857) 8.390 ======================= Grid point 234 (71/102) ======================= q-point: (-0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 6.707 0.000 0.000) 6.707 3.147 ( -3.057 0.000 0.000) 3.057 3.468 ( 21.760 0.000 0.000) 21.760 3.583 ( 7.537 0.000 0.000) 7.537 3.951 ( 3.627 0.000 0.000) 3.627 4.103 ( 0.173 0.000 0.000) 0.173 4.138 ( 1.879 -0.000 -0.000) 1.879 4.456 ( -17.433 -0.000 0.000) 17.433 4.682 ( 3.202 0.000 0.000) 3.202 4.769 ( -1.848 0.000 0.000) 1.848 5.590 ( 0.728 0.000 0.000) 0.728 5.710 ( -5.591 0.000 0.000) 5.591 6.781 ( 17.159 0.000 0.000) 17.159 7.088 ( 3.275 0.000 0.000) 3.275 7.159 ( -4.400 -0.000 0.000) 4.400 7.185 ( -2.282 0.000 0.000) 2.282 7.262 ( 0.998 0.000 0.000) 0.998 7.409 ( -12.017 0.000 0.000) 12.017 8.193 ( 0.909 0.000 0.000) 0.909 8.227 ( -1.689 0.000 0.000) 1.689 9.538 ( 0.261 0.000 0.000) 0.261 9.628 ( -5.426 0.000 0.000) 5.426 10.862 ( 9.326 0.000 0.000) 9.326 11.082 ( -6.006 0.000 0.000) 6.006 11.575 ( 6.885 0.000 0.000) 6.885 11.717 ( -3.164 0.000 0.000) 3.164 13.785 ( 7.941 0.000 0.000) 7.941 14.120 ( -15.462 0.000 0.000) 15.462 19.295 ( 2.774 0.000 0.000) 2.774 19.465 ( -9.690 0.000 0.000) 9.690 21.076 ( 18.832 -0.000 0.000) 18.832 21.503 ( -10.338 0.000 0.000) 10.338 22.494 ( 31.913 0.000 0.000) 31.913 23.295 ( -17.906 0.000 0.000) 17.906 23.643 ( -8.249 0.000 0.000) 8.249 23.668 ( -3.842 0.000 -0.000) 3.842 ======================= Grid point 240 (72/102) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 12.187 -0.000 -0.000) 12.187 1.555 ( 25.163 -0.000 -0.000) 25.163 2.980 ( 32.661 -0.000 -0.000) 32.661 3.211 ( 7.496 -0.000 -0.000) 7.496 3.214 ( 4.299 -0.000 -0.000) 4.299 3.807 ( 13.851 -0.000 -0.000) 13.851 3.842 ( 18.429 -0.000 -0.000) 18.429 4.667 ( -14.946 0.000 0.000) 14.946 5.152 ( 7.091 -0.000 -0.000) 7.091 5.258 ( -2.104 0.000 0.000) 2.104 5.500 ( 1.621 -0.000 -0.000) 1.621 5.776 ( -23.244 0.000 0.000) 23.244 6.078 ( 11.811 -0.000 -0.000) 11.811 6.827 ( -0.621 0.000 0.000) 0.621 7.106 ( 0.437 -0.000 -0.000) 0.437 7.112 ( -0.491 0.000 0.000) 0.491 7.151 ( -2.063 0.000 0.000) 2.063 7.962 ( -6.495 0.000 0.000) 6.495 7.983 ( -6.009 0.000 0.000) 6.009 8.731 ( -14.761 0.000 0.000) 14.761 8.813 ( 1.288 -0.000 -0.000) 1.288 10.188 ( -25.346 0.000 0.000) 25.346 11.056 ( 11.619 -0.000 -0.000) 11.619 11.671 ( 3.833 -0.000 -0.000) 3.833 11.942 ( 17.425 -0.000 -0.000) 17.425 12.151 ( 7.526 -0.000 -0.000) 7.526 12.822 ( -4.603 0.000 0.000) 4.603 14.051 ( -15.958 0.000 0.000) 15.958 19.364 ( -0.158 0.000 0.000) 0.158 20.000 ( -10.478 0.000 0.000) 10.478 20.447 ( 0.314 -0.000 -0.000) 0.314 21.719 ( -18.377 0.000 0.000) 18.377 22.292 ( 27.198 -0.000 -0.000) 27.198 23.634 ( -0.246 0.000 0.000) 0.246 23.735 ( -2.245 0.000 0.000) 2.245 24.021 ( -3.997 0.000 0.000) 3.997 ======================= Grid point 246 (73/102) ======================= q-point: (-0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( -2.251 -2.251 -4.281) 5.335 3.015 ( 2.251 2.251 -4.281) 5.335 3.632 ( -3.796 -3.796 -1.127) 5.486 3.632 ( 3.796 3.796 -1.127) 5.486 4.060 ( -7.702 -7.702 -0.655) 10.912 4.060 ( 7.702 7.702 -0.655) 10.912 4.262 ( -8.012 -8.012 5.505) 12.598 4.262 ( 8.012 8.012 5.505) 12.598 4.631 ( -3.815 -3.815 -11.459) 12.666 4.631 ( 3.815 3.815 -11.459) 12.666 5.615 ( -4.564 -4.564 -2.327) 6.861 5.615 ( 4.564 4.564 -2.327) 6.861 6.970 ( -10.784 -10.784 -5.069) 16.072 6.970 ( 10.784 10.784 -5.069) 16.072 7.181 ( -0.911 -0.911 4.298) 4.487 7.181 ( 0.911 0.911 4.298) 4.487 7.308 ( -5.242 -5.242 1.038) 7.486 7.308 ( 5.242 5.242 1.038) 7.486 8.189 ( -0.609 -0.609 -2.090) 2.260 8.189 ( 0.609 0.609 -2.090) 2.260 9.550 ( -3.285 -3.285 -1.780) 4.975 9.550 ( 3.285 3.285 -1.780) 4.975 11.023 ( -7.386 -7.386 4.766) 11.482 11.023 ( 7.386 7.386 4.766) 11.482 11.695 ( -2.982 -2.982 4.987) 6.531 11.695 ( 2.982 2.982 4.987) 6.531 13.881 ( -5.316 -5.316 -5.901) 9.557 13.881 ( 5.316 5.316 -5.901) 9.557 19.350 ( -3.361 -3.361 -0.693) 4.803 19.350 ( 3.361 3.361 -0.693) 4.803 21.375 ( -13.231 -13.231 7.298) 20.084 21.375 ( 13.231 13.231 7.298) 20.084 22.895 ( -19.697 -19.697 -5.056) 28.311 22.895 ( 19.697 19.697 -5.056) 28.311 23.648 ( -3.776 -3.776 3.103) 6.176 23.648 ( 3.776 3.776 3.103) 6.176 ======================= Grid point 251 (74/102) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 8.476 -41.253 -0.000) 42.115 1.915 ( 21.926 -4.127 -0.000) 22.312 3.027 ( -5.725 3.831 0.000) 6.888 3.368 ( 7.839 -7.371 -0.000) 10.760 3.585 ( 31.038 -1.194 -0.000) 31.061 3.841 ( -14.014 1.239 0.000) 14.069 4.105 ( 17.788 -1.096 -0.000) 17.821 4.555 ( -0.170 -4.198 -0.000) 4.202 5.076 ( -6.355 17.580 0.000) 18.694 5.254 ( 8.930 1.464 -0.000) 9.049 5.434 ( -11.573 1.714 0.000) 11.699 5.559 ( -5.207 -1.556 0.000) 5.435 6.304 ( 10.793 -7.639 -0.000) 13.223 6.864 ( 4.758 -0.177 -0.000) 4.762 7.084 ( -0.862 1.883 0.000) 2.071 7.115 ( 0.565 -0.751 -0.000) 0.940 7.122 ( -1.783 0.158 0.000) 1.790 7.817 ( -6.679 6.167 0.000) 9.091 7.932 ( -5.144 -2.578 0.000) 5.754 8.495 ( -14.911 3.844 0.000) 15.399 8.861 ( 1.911 -4.203 -0.000) 4.617 9.831 ( -23.832 1.942 0.000) 23.911 11.225 ( 13.402 0.930 -0.000) 13.435 11.683 ( 3.867 5.612 0.000) 6.815 12.226 ( 16.951 -6.482 -0.000) 18.148 12.272 ( 5.258 -4.146 -0.000) 6.696 12.745 ( -5.331 0.910 0.000) 5.408 13.781 ( -17.764 5.198 0.000) 18.509 19.344 ( 0.395 2.219 0.000) 2.254 19.768 ( -8.628 10.206 0.000) 13.364 20.598 ( -1.276 -18.486 -0.000) 18.530 21.515 ( -21.619 -9.041 0.000) 23.433 22.653 ( 26.752 2.145 -0.000) 26.838 23.571 ( 1.762 9.845 0.000) 10.001 23.712 ( -1.833 -0.946 0.000) 2.062 23.946 ( -4.981 1.574 0.000) 5.224 ======================= Grid point 252 (75/102) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 9.984 0.000 9.887) 14.051 2.031 ( 19.613 0.000 17.709) 26.424 3.161 ( -5.688 -0.000 12.442) 13.680 3.288 ( 6.679 0.000 -3.689) 7.629 3.621 ( 30.388 0.000 6.435) 31.062 3.859 ( -11.217 -0.000 1.192) 11.281 4.084 ( 17.651 0.000 -1.681) 17.731 4.525 ( -0.502 -0.000 0.031) 0.503 4.938 ( 4.963 0.000 -21.323) 21.893 5.328 ( -20.715 -0.000 -13.067) 24.491 5.429 ( -1.538 -0.000 7.274) 7.435 5.606 ( 4.884 -0.000 8.575) 9.869 6.285 ( 11.976 0.000 4.513) 12.798 6.900 ( 5.321 0.000 4.027) 6.673 7.096 ( -0.250 -0.000 -0.046) 0.254 7.111 ( -1.511 -0.000 -1.390) 2.053 7.199 ( -3.766 -0.000 10.056) 10.738 7.896 ( -8.014 -0.000 0.601) 8.036 7.902 ( -4.149 -0.000 2.470) 4.829 8.477 ( -13.334 -0.000 -4.594) 14.103 8.928 ( 0.451 -0.000 11.117) 11.126 9.835 ( -21.823 -0.000 -1.089) 21.850 11.199 ( 11.594 0.000 -4.757) 12.532 11.686 ( 3.696 0.000 -4.915) 6.150 11.771 ( 10.998 0.000 -26.288) 28.496 12.563 ( -1.075 0.000 -8.533) 8.600 12.694 ( 5.144 -0.000 19.398) 20.068 13.971 ( -16.346 -0.000 17.196) 23.726 19.363 ( -0.186 -0.000 0.143) 0.234 19.868 ( -10.707 -0.000 1.885) 10.872 20.452 ( 0.654 0.000 -0.218) 0.689 21.383 ( -15.968 -0.000 -8.434) 18.059 22.598 ( 24.327 0.000 -8.916) 25.909 23.505 ( -2.287 0.000 -8.905) 9.194 23.773 ( -4.854 -0.000 2.548) 5.483 24.051 ( 0.860 -0.000 10.033) 10.070 ======================= Grid point 261 (76/102) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 6.014 -47.686 -0.000) 48.064 2.259 ( 17.335 -5.821 -0.000) 18.286 2.856 ( -6.919 7.369 0.000) 10.108 3.413 ( -36.595 3.544 0.000) 36.766 3.631 ( 6.798 -13.522 -0.000) 15.134 3.927 ( 13.849 -0.696 -0.000) 13.866 4.336 ( 14.722 1.346 -0.000) 14.783 4.705 ( -6.275 18.884 0.000) 19.900 4.739 ( 11.374 -6.885 -0.000) 13.295 5.236 ( -10.976 4.616 0.000) 11.907 5.353 ( 9.628 2.781 -0.000) 10.022 5.516 ( 0.828 4.954 0.000) 5.023 6.557 ( 9.274 -8.000 -0.000) 12.248 6.885 ( 0.447 4.854 0.000) 4.874 7.074 ( 0.875 -0.285 -0.000) 0.920 7.100 ( -1.224 0.019 0.000) 1.224 7.178 ( 5.687 -4.241 -0.000) 7.094 7.613 ( -7.087 9.334 0.000) 11.720 7.926 ( -1.285 -3.917 -0.000) 4.123 8.234 ( -12.615 5.477 0.000) 13.753 8.988 ( 2.526 -9.849 -0.000) 10.168 9.490 ( -20.385 2.702 0.000) 20.564 11.391 ( 13.356 2.055 -0.000) 13.513 11.631 ( 3.598 9.195 0.000) 9.874 12.400 ( 3.315 -5.630 -0.000) 6.533 12.554 ( 7.697 -8.086 -0.000) 11.164 12.683 ( 2.218 -2.953 -0.000) 3.693 13.425 ( -18.130 9.950 0.000) 20.680 19.335 ( 2.163 1.009 -0.000) 2.387 19.536 ( -5.573 8.413 0.000) 10.091 20.861 ( -4.340 -24.056 -0.000) 24.444 21.338 ( -24.464 -10.628 0.000) 26.673 22.966 ( 24.691 4.103 -0.000) 25.030 23.425 ( 3.859 16.600 0.000) 17.042 23.718 ( -0.630 -2.561 -0.000) 2.638 23.850 ( -5.048 1.823 0.000) 5.366 ======================= Grid point 262 (77/102) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 7.460 -36.624 6.384) 37.917 2.303 ( 15.879 -3.100 13.379) 20.994 3.038 ( -7.086 5.071 10.666) 13.773 3.429 ( -0.565 -6.249 -3.862) 7.368 3.505 ( -28.102 -0.805 4.926) 28.542 3.938 ( 13.034 -0.430 3.191) 13.426 4.323 ( 16.255 -0.023 -2.703) 16.478 4.663 ( 13.202 -2.384 -0.435) 13.422 4.912 ( -4.769 12.228 -6.000) 14.432 5.057 ( -2.657 1.180 -18.800) 19.023 5.401 ( -2.921 1.515 3.409) 4.738 5.691 ( 4.759 -0.358 10.150) 11.216 6.467 ( 9.646 -3.545 0.751) 10.304 6.982 ( 5.955 1.899 4.555) 7.734 7.079 ( 0.010 0.219 0.592) 0.631 7.113 ( -0.124 -1.885 1.139) 2.206 7.162 ( -1.597 -0.608 4.770) 5.067 7.726 ( -8.412 5.949 -0.143) 10.304 7.894 ( -1.492 -2.851 2.550) 4.106 8.285 ( -11.448 2.582 -1.177) 11.794 8.961 ( 1.188 -3.479 9.099) 9.814 9.532 ( -19.922 1.187 1.896) 20.047 11.359 ( 12.541 1.561 -7.643) 14.769 11.692 ( 3.698 5.338 -5.708) 8.645 11.945 ( 5.828 -6.541 -25.768) 27.217 12.513 ( -4.621 0.492 -17.486) 18.092 12.834 ( 10.529 -3.865 27.101) 29.331 13.707 ( -16.258 5.262 19.290) 25.771 19.351 ( 0.519 1.191 -0.022) 1.299 19.662 ( -8.562 7.348 1.603) 11.397 20.572 ( -1.264 -14.598 -1.115) 14.695 21.197 ( -19.489 -7.814 -2.467) 21.142 22.907 ( 22.496 2.868 -13.253) 26.266 23.471 ( -0.245 2.152 -8.759) 9.023 23.690 ( -4.854 1.867 0.031) 5.201 24.040 ( 1.838 3.730 14.164) 14.762 ======================= Grid point 263 (78/102) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 7.351 -0.000 13.247) 15.150 2.561 ( 11.892 -0.000 21.891) 24.913 3.248 ( -12.025 -0.000 9.020) 15.032 3.259 ( 3.438 0.000 -9.431) 10.038 3.604 ( -25.997 -0.000 5.500) 26.572 4.065 ( 7.819 -0.000 15.503) 17.363 4.265 ( 14.865 0.000 -4.197) 15.446 4.639 ( 13.662 0.000 -2.376) 13.867 4.696 ( 5.946 0.000 -20.561) 21.403 4.947 ( -7.035 -0.000 -5.391) 8.863 5.494 ( -2.567 -0.000 6.871) 7.335 5.788 ( 5.535 0.000 4.355) 7.043 6.467 ( 5.698 0.000 0.272) 5.705 7.036 ( 4.399 0.000 2.122) 4.884 7.063 ( -0.838 0.000 -2.213) 2.366 7.167 ( 5.050 -0.000 6.355) 8.117 7.248 ( -6.255 -0.000 4.848) 7.914 7.749 ( -12.241 -0.000 -1.464) 12.328 7.946 ( 1.299 -0.000 6.264) 6.397 8.282 ( -7.571 -0.000 -0.758) 7.609 9.141 ( 0.047 -0.000 15.719) 15.719 9.584 ( -17.012 -0.000 3.914) 17.456 11.165 ( 9.368 0.000 -19.630) 21.751 11.567 ( 5.877 0.000 -14.137) 15.310 11.621 ( 2.952 0.000 -9.468) 9.918 12.230 ( -3.946 0.000 -18.480) 18.897 13.193 ( 9.458 -0.000 22.380) 24.296 14.074 ( -13.038 -0.000 22.008) 25.580 19.362 ( -0.217 -0.000 0.198) 0.294 19.760 ( -11.363 -0.000 3.779) 11.974 20.458 ( 0.891 0.000 -0.433) 0.991 21.057 ( -13.478 -0.000 -7.413) 15.382 22.658 ( 16.472 0.000 -20.346) 26.178 23.389 ( 0.302 0.000 -2.776) 2.792 23.710 ( -5.544 -0.000 0.469) 5.564 24.270 ( 4.988 -0.000 10.880) 11.969 ======================= Grid point 270 (79/102) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -1.079 -3.182 -0.000) 3.359 2.507 ( -3.182 -1.079 0.000) 3.359 2.817 ( -5.366 -25.867 -0.000) 26.418 2.817 ( -25.867 -5.366 0.000) 26.418 3.911 ( 4.966 -10.814 -0.000) 11.900 3.911 ( -10.814 4.966 0.000) 11.900 4.474 ( 13.065 5.832 -0.000) 14.308 4.474 ( 5.832 13.065 0.000) 14.308 4.999 ( 7.157 -5.695 -0.000) 9.147 4.999 ( -5.695 7.157 0.000) 9.147 5.443 ( 5.594 5.192 0.000) 7.632 5.443 ( 5.192 5.594 0.000) 7.632 6.763 ( 2.469 -0.161 0.000) 2.474 6.763 ( -0.161 2.469 0.000) 2.474 7.087 ( -0.250 -0.341 0.000) 0.423 7.087 ( -0.341 -0.250 0.000) 0.423 7.377 ( 5.614 -2.035 0.000) 5.972 7.377 ( -2.035 5.614 0.000) 5.972 8.023 ( 1.126 -5.777 -0.000) 5.885 8.023 ( -5.777 1.126 0.000) 5.885 9.202 ( -0.069 -12.657 -0.000) 12.657 9.202 ( -12.657 -0.069 0.000) 12.657 11.531 ( 8.621 6.152 0.000) 10.591 11.531 ( 6.152 8.621 0.000) 10.591 12.517 ( -1.733 -2.435 0.000) 2.989 12.517 ( -2.435 -1.733 0.000) 2.989 13.020 ( 9.255 -11.969 -0.000) 15.130 13.020 ( -11.969 9.255 0.000) 15.130 19.390 ( 3.358 -0.405 -0.000) 3.382 19.390 ( -0.405 3.358 0.000) 3.382 21.121 ( -14.175 -19.455 0.000) 24.071 21.121 ( -19.455 -14.175 0.000) 24.071 23.222 ( 15.060 11.125 0.000) 18.723 23.222 ( 11.125 15.060 0.000) 18.723 23.766 ( -1.472 -1.836 0.000) 2.353 23.766 ( -1.836 -1.472 0.000) 2.353 ======================= Grid point 272 (80/102) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 5.405 -44.893 3.349) 45.341 2.527 ( 7.796 -3.518 9.564) 12.831 2.743 ( -32.259 4.952 1.809) 32.687 3.028 ( -13.546 5.297 15.767) 21.451 3.697 ( 5.074 -14.980 -3.088) 16.115 3.948 ( -9.298 2.293 -0.832) 9.613 4.514 ( 13.618 2.826 -2.698) 14.168 4.655 ( 2.695 13.663 -2.895) 14.224 4.916 ( 11.284 -2.948 1.298) 11.734 5.044 ( 0.886 4.316 -11.737) 12.537 5.323 ( -0.985 4.046 -3.150) 5.221 5.735 ( 5.133 3.731 11.594) 13.217 6.613 ( 3.766 -2.714 -6.288) 7.816 6.983 ( 2.929 4.345 12.418) 13.478 7.084 ( -1.024 -1.227 1.000) 1.885 7.122 ( -1.232 -0.641 3.886) 4.126 7.245 ( 6.256 -4.513 -4.763) 9.066 7.518 ( -7.129 6.812 -0.499) 9.873 7.950 ( 2.204 -4.304 3.047) 5.715 8.104 ( -7.831 3.568 2.901) 9.082 9.064 ( 1.441 -8.540 5.599) 10.313 9.270 ( -14.956 1.068 4.611) 15.688 11.484 ( 10.485 4.413 -11.153) 15.931 11.656 ( 3.944 6.684 -3.151) 8.376 12.080 ( -0.665 -6.629 -26.134) 26.970 12.447 ( -2.810 0.543 -16.615) 16.859 13.080 ( 11.253 -9.532 24.433) 28.539 13.392 ( -14.052 9.384 21.977) 27.721 19.364 ( 2.318 -0.462 -0.650) 2.451 19.479 ( -4.399 5.153 1.753) 6.998 20.755 ( -5.752 -16.474 -5.072) 18.171 21.051 ( -20.008 -11.318 3.780) 23.296 23.116 ( 16.255 7.055 -19.823) 26.588 23.442 ( 3.599 5.225 -1.813) 6.598 23.608 ( -4.265 -0.301 -3.262) 5.378 24.015 ( 3.404 4.633 16.206) 17.196 ======================= Grid point 273 (81/102) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 5.621 -31.695 10.013) 33.710 2.699 ( 3.016 -1.197 15.771) 16.102 2.875 ( -33.974 2.107 9.375) 35.307 3.257 ( -4.057 4.319 -1.776) 6.186 3.461 ( -0.693 -9.756 -1.934) 9.970 4.038 ( -8.938 0.630 13.505) 16.207 4.466 ( 13.137 -0.445 -5.122) 14.107 4.719 ( 3.932 6.866 -8.562) 11.658 4.779 ( 4.139 1.513 -20.363) 20.834 4.986 ( 14.308 -0.396 7.010) 15.938 5.433 ( -3.390 3.141 7.418) 8.740 5.873 ( 4.960 -0.427 3.953) 6.357 6.515 ( 1.643 0.156 -4.587) 4.875 7.059 ( -1.963 -2.158 -1.637) 3.345 7.108 ( 2.734 -2.716 -2.418) 4.550 7.184 ( -2.332 0.291 2.182) 3.207 7.232 ( 6.391 1.661 10.520) 12.420 7.553 ( -11.643 3.289 -1.178) 12.156 7.996 ( 3.924 -1.447 7.188) 8.317 8.185 ( -5.045 1.612 2.667) 5.930 9.151 ( 0.272 -1.407 13.901) 13.974 9.371 ( -12.824 0.040 7.559) 14.886 11.274 ( 7.846 2.100 -22.543) 23.962 11.616 ( 3.273 1.683 -9.779) 10.448 11.681 ( 1.340 -3.455 -14.161) 14.638 12.180 ( -2.709 0.249 -17.308) 17.520 13.346 ( 8.912 -3.436 20.707) 22.804 13.871 ( -9.965 5.372 25.803) 28.177 19.357 ( 0.534 0.343 -0.164) 0.656 19.579 ( -8.598 3.664 3.067) 9.837 20.526 ( -1.161 -7.472 -2.757) 8.049 20.925 ( -15.708 -9.468 -1.119) 18.375 22.826 ( 10.771 3.100 -25.172) 27.555 23.423 ( 3.755 -0.651 -1.129) 3.975 23.627 ( -3.918 2.261 0.507) 4.552 24.309 ( 5.633 4.437 12.426) 14.346 ======================= Grid point 274 (82/102) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 4.905 -0.000 11.411) 12.420 2.893 ( -23.420 -0.000 8.964) 25.077 3.109 ( 0.460 0.000 -12.595) 12.604 3.109 ( -7.580 -0.000 15.948) 17.658 3.382 ( -11.979 -0.000 -1.598) 12.085 4.349 ( -5.905 -0.000 21.385) 22.185 4.368 ( 11.451 0.000 -6.753) 13.294 4.449 ( 3.191 0.000 -20.002) 20.255 4.654 ( 3.770 0.000 -6.638) 7.634 5.107 ( 16.774 0.000 7.878) 18.532 5.582 ( -1.611 -0.000 8.278) 8.433 5.885 ( 4.383 0.000 -0.631) 4.429 6.447 ( -1.025 0.000 -5.002) 5.105 6.979 ( -1.822 0.000 -5.268) 5.574 7.070 ( -3.061 -0.000 -1.326) 3.336 7.211 ( -2.197 -0.000 1.055) 2.437 7.279 ( -3.031 0.000 -3.991) 5.011 7.674 ( -0.114 -0.000 12.539) 12.539 8.098 ( 3.711 -0.000 6.633) 7.600 8.234 ( -2.755 -0.000 2.656) 3.827 9.393 ( -0.262 -0.000 16.676) 16.678 9.501 ( -9.212 -0.000 9.431) 13.184 10.936 ( 5.756 0.000 -20.314) 21.114 11.454 ( 2.039 0.000 -10.095) 10.299 11.482 ( 1.686 0.000 -12.560) 12.672 11.950 ( -1.559 0.000 -12.534) 12.631 13.595 ( 7.474 -0.000 14.273) 16.111 14.291 ( -5.162 -0.000 23.203) 23.770 19.363 ( -0.184 -0.000 0.297) 0.349 19.664 ( -12.400 -0.000 4.919) 13.340 20.462 ( 0.865 0.000 -0.690) 1.106 20.787 ( -10.824 -0.000 -5.839) 12.298 22.482 ( 7.359 0.000 -21.516) 22.740 23.409 ( 3.680 0.000 -0.146) 3.683 23.658 ( -3.539 -0.000 1.496) 3.842 24.491 ( 6.853 0.000 6.907) 9.729 ======================= Grid point 282 (83/102) ======================= q-point: ( 0.60 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -18.425 -18.425 6.896) 26.953 2.259 ( -20.056 -20.056 5.786) 28.948 2.797 ( -0.329 -0.329 20.475) 20.480 3.185 ( 3.651 3.651 0.674) 5.207 3.576 ( -7.054 -7.054 -12.902) 16.309 3.924 ( -5.290 -5.290 19.884) 21.245 4.620 ( 6.114 6.114 -3.890) 9.481 4.631 ( 5.930 5.930 -6.702) 10.736 4.801 ( 3.662 3.662 -21.246) 21.868 5.141 ( 7.075 7.075 6.298) 11.823 5.352 ( 0.561 0.561 8.072) 8.111 5.913 ( 2.571 2.571 4.228) 5.577 6.523 ( -0.151 -0.151 -6.722) 6.726 7.060 ( -2.849 -2.849 -1.184) 4.200 7.152 ( -1.349 -1.349 2.118) 2.851 7.167 ( 0.774 0.774 -7.469) 7.548 7.315 ( 4.916 4.916 18.009) 19.304 7.390 ( -4.038 -4.038 -5.115) 7.666 8.066 ( 1.014 1.014 6.615) 6.769 8.109 ( -0.599 -0.599 4.967) 5.038 9.180 ( -1.512 -1.512 10.141) 10.364 9.261 ( -4.616 -4.616 11.704) 13.402 11.314 ( 4.682 4.682 -23.762) 24.667 11.626 ( 2.947 2.947 -7.877) 8.912 11.719 ( -2.563 -2.563 -15.982) 16.388 12.158 ( -0.751 -0.751 -16.662) 16.696 13.474 ( -0.606 -0.606 16.243) 16.265 13.721 ( 1.784 1.784 31.089) 31.191 19.368 ( 0.535 0.535 -1.151) 1.378 19.478 ( -1.787 -1.787 3.520) 4.334 20.579 ( -5.490 -5.490 -5.952) 9.783 20.880 ( -14.528 -14.528 3.468) 20.836 22.877 ( 6.000 6.000 -26.704) 28.020 23.476 ( 1.735 1.735 -1.169) 2.717 23.564 ( 0.476 0.476 1.107) 1.296 24.316 ( 6.012 6.012 12.949) 15.491 ======================= Grid point 284 (84/102) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 3.470 -28.294 9.147) 29.937 2.370 ( -40.119 1.790 6.686) 40.712 3.090 ( 2.682 0.654 -4.899) 5.623 3.159 ( -0.943 -1.465 15.615) 15.712 3.277 ( -7.240 -4.053 -9.809) 12.848 4.266 ( -3.807 0.050 23.059) 23.371 4.476 ( 2.512 0.635 -22.889) 23.035 4.534 ( 8.189 -1.539 -6.766) 10.733 4.646 ( 0.201 4.795 -6.385) 7.988 5.316 ( 13.636 2.231 8.532) 16.239 5.533 ( -1.396 3.507 9.435) 10.162 5.942 ( 2.223 -0.533 -1.345) 2.653 6.427 ( -0.860 0.378 -6.210) 6.281 6.969 ( -3.390 -3.051 -5.066) 6.816 7.042 ( -0.508 -0.749 -6.359) 6.423 7.152 ( -4.249 1.362 -2.804) 5.269 7.251 ( -4.494 -4.523 -2.747) 6.943 7.690 ( 5.822 4.686 19.371) 20.762 8.149 ( 2.434 -1.034 5.310) 5.932 8.195 ( -1.945 1.022 3.942) 4.513 9.375 ( -0.198 1.375 14.797) 14.862 9.426 ( -3.500 -1.590 13.867) 14.390 10.988 ( 2.379 0.581 -20.292) 20.439 11.485 ( 1.307 -0.587 -12.174) 12.258 11.497 ( 0.793 0.562 -12.910) 12.946 11.934 ( -0.830 -0.187 -11.486) 11.518 13.683 ( 3.297 -0.829 13.232) 13.661 14.222 ( 0.171 3.740 27.129) 27.386 19.360 ( 0.377 0.235 -0.252) 0.511 19.516 ( -8.295 -1.410 3.889) 9.269 20.462 ( -0.266 0.299 -3.781) 3.802 20.727 ( -11.653 -11.306 -0.222) 16.238 22.545 ( 4.344 2.282 -22.938) 23.457 23.458 ( 2.038 -0.494 -1.136) 2.385 23.616 ( -0.224 1.867 2.153) 2.858 24.550 ( 6.289 4.330 7.819) 10.929 ======================= Grid point 285 (85/102) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 2.343 -0.000 3.016) 3.819 2.442 ( -38.763 -0.000 -0.432) 38.765 2.936 ( -0.213 0.000 -8.369) 8.372 3.065 ( -7.789 -0.000 -6.089) 9.886 3.546 ( 2.162 -0.000 22.255) 22.359 4.128 ( -1.360 0.000 -21.448) 21.491 4.410 ( 7.629 0.000 -6.778) 10.205 4.504 ( -2.737 -0.000 3.969) 4.822 4.588 ( -3.050 0.000 -3.885) 4.940 5.460 ( 15.021 0.000 7.718) 16.888 5.692 ( -0.370 -0.000 7.379) 7.389 5.889 ( 1.740 0.000 -4.299) 4.638 6.334 ( -2.230 0.000 -6.119) 6.513 6.854 ( -3.117 0.000 -5.955) 6.721 6.958 ( -3.703 -0.000 -4.259) 5.644 7.069 ( -8.227 -0.000 -7.205) 10.936 7.269 ( -0.039 -0.000 8.831) 8.831 8.000 ( 8.556 -0.000 15.238) 17.476 8.201 ( 1.065 -0.000 2.415) 2.640 8.266 ( -1.342 -0.000 5.554) 5.714 9.601 ( -0.812 -0.000 10.701) 10.732 9.620 ( -0.198 -0.000 12.415) 12.417 10.759 ( 2.209 0.000 -9.624) 9.874 11.295 ( -0.280 0.000 -11.466) 11.469 11.301 ( 0.263 0.000 -12.049) 12.051 11.808 ( -0.223 0.000 -4.581) 4.587 13.848 ( 5.462 -0.000 8.254) 9.898 14.618 ( 2.179 -0.000 20.423) 20.539 19.367 ( -0.081 -0.000 0.449) 0.456 19.562 ( -12.905 -0.000 4.540) 13.680 20.460 ( 0.589 0.000 -0.895) 1.071 20.586 ( -7.092 -0.000 -3.989) 8.137 22.260 ( 3.069 0.000 -15.913) 16.207 23.442 ( 1.103 0.000 -0.205) 1.122 23.668 ( -0.076 -0.000 2.895) 2.896 24.663 ( 7.078 0.000 2.695) 7.573 ======================= Grid point 294 (86/102) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -12.101 -12.101 1.284) 17.162 1.973 ( -13.478 -13.478 1.338) 19.108 2.938 ( -0.216 -0.216 -7.773) 7.779 3.005 ( -4.976 -4.976 -7.820) 10.520 3.564 ( 1.534 1.534 23.773) 23.872 4.119 ( -1.025 -1.025 -23.278) 23.323 4.458 ( 2.212 2.212 -0.981) 3.279 4.521 ( -1.468 -1.468 -2.117) 2.965 4.538 ( -0.389 -0.389 -6.330) 6.354 5.587 ( 6.814 6.814 7.565) 12.251 5.669 ( 1.176 1.176 8.216) 8.383 5.904 ( -0.243 -0.243 -4.660) 4.673 6.318 ( -0.444 -0.444 -6.978) 7.006 6.833 ( -2.930 -2.930 -5.977) 7.273 6.940 ( -0.249 -0.249 -5.535) 5.546 6.995 ( -3.799 -3.799 -5.928) 8.001 7.271 ( -1.451 -1.451 9.349) 9.572 8.061 ( 5.836 5.836 15.422) 17.492 8.216 ( -0.360 -0.360 1.912) 1.979 8.246 ( -0.774 -0.774 6.762) 6.850 9.597 ( 1.365 1.365 12.046) 12.200 9.618 ( -0.310 -0.310 12.018) 12.026 10.772 ( -0.168 -0.168 -9.622) 9.625 11.295 ( 0.198 0.198 -12.447) 12.450 11.305 ( -0.065 -0.065 -12.486) 12.487 11.806 ( -0.217 -0.217 -4.285) 4.296 13.889 ( 2.172 2.172 9.522) 10.005 14.631 ( 2.815 2.815 21.651) 22.014 19.362 ( 0.387 0.387 0.043) 0.549 19.467 ( -6.695 -6.695 3.262) 10.015 20.424 ( 2.800 2.800 -2.880) 4.896 20.585 ( -8.444 -8.444 -0.642) 11.959 22.280 ( 1.623 1.623 -16.456) 16.616 23.449 ( -0.316 -0.316 -0.695) 0.826 23.669 ( 1.194 1.194 2.964) 3.411 24.711 ( 4.399 4.399 3.263) 7.025 ======================= Grid point 295 (87/102) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.135 0.000 -10.347) 10.348 1.893 ( -26.012 -0.000 -10.898) 28.203 2.884 ( 0.526 -0.000 1.182) 1.294 2.931 ( -6.065 -0.000 1.862) 6.345 3.770 ( -3.332 0.000 -20.040) 20.315 3.876 ( 4.056 -0.000 13.477) 14.074 4.341 ( -3.889 0.000 -22.446) 22.781 4.386 ( 3.375 0.000 -5.776) 6.690 4.442 ( -4.095 -0.000 -4.850) 6.348 5.729 ( 8.626 0.000 5.236) 10.091 5.786 ( 0.474 -0.000 4.403) 4.429 5.815 ( -0.107 0.000 -6.022) 6.023 6.199 ( -2.121 0.000 -7.735) 8.021 6.743 ( -2.578 -0.000 -1.971) 3.245 6.878 ( -0.927 0.000 -1.965) 2.173 6.902 ( -3.899 -0.000 -2.951) 4.889 7.499 ( 0.482 -0.000 20.810) 20.815 8.207 ( 2.672 0.000 1.277) 2.961 8.224 ( 0.159 -0.000 0.275) 0.317 8.455 ( 2.710 -0.000 17.162) 17.375 9.719 ( 1.277 0.000 1.481) 1.956 9.730 ( 0.010 -0.000 0.996) 0.996 10.688 ( -1.410 -0.000 -1.259) 1.890 11.149 ( 0.472 0.000 -5.739) 5.759 11.158 ( -0.556 0.000 -5.047) 5.078 11.797 ( -0.038 -0.000 3.350) 3.350 14.029 ( 5.574 0.000 5.759) 8.015 14.921 ( 3.220 -0.000 12.864) 13.261 19.374 ( 0.007 -0.000 0.473) 0.473 19.450 ( -10.591 -0.000 2.417) 10.864 20.452 ( 0.244 0.000 -0.847) 0.882 20.474 ( -2.723 -0.000 -1.817) 3.273 22.098 ( 0.925 0.000 -8.597) 8.647 23.448 ( -0.729 -0.000 1.338) 1.524 23.724 ( 0.913 -0.000 3.033) 3.168 24.760 ( 4.997 0.000 -1.176) 5.133 ======================= Grid point 305 (88/102) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.000 0.000 -18.992) 18.992 1.463 ( -0.000 0.000 -18.992) 18.992 2.951 ( 0.000 -0.000 5.577) 5.577 2.951 ( 0.000 -0.000 5.577) 5.577 3.460 ( -0.000 0.000 -16.014) 16.014 3.786 ( -0.000 0.000 -44.127) 44.127 4.017 ( -0.000 0.000 -0.777) 0.777 4.351 ( -0.000 0.000 -0.830) 0.830 4.351 ( -0.000 0.000 -0.830) 0.830 5.712 ( -0.000 0.000 -6.667) 6.667 5.832 ( 0.000 -0.000 0.208) 0.208 5.832 ( 0.000 -0.000 0.208) 0.208 6.050 ( -0.000 0.000 -8.794) 8.794 6.758 ( 0.000 -0.000 6.242) 6.242 6.869 ( 0.000 -0.000 1.561) 1.561 6.869 ( 0.000 -0.000 1.561) 1.561 7.884 ( 0.000 -0.000 27.011) 27.011 8.220 ( -0.000 0.000 -0.839) 0.839 8.220 ( -0.000 0.000 -0.839) 0.839 8.734 ( 0.000 -0.000 15.309) 15.309 9.636 ( -0.000 0.000 -12.754) 12.754 9.636 ( -0.000 0.000 -12.754) 12.754 10.680 ( 0.000 -0.000 2.096) 2.096 11.154 ( 0.000 -0.000 4.876) 4.876 11.154 ( 0.000 -0.000 4.876) 4.876 11.910 ( 0.000 -0.000 11.447) 11.447 14.157 ( 0.000 -0.000 4.031) 4.031 15.069 ( 0.000 -0.000 2.947) 2.947 19.380 ( 0.000 -0.000 0.230) 0.230 19.380 ( 0.000 -0.000 0.230) 0.230 20.443 ( -0.000 0.000 -0.482) 0.482 20.443 ( -0.000 0.000 -0.482) 0.482 22.028 ( -0.000 0.000 -1.348) 1.348 23.481 ( 0.000 -0.000 4.216) 4.216 23.774 ( 0.000 -0.000 2.417) 2.417 24.752 ( -0.000 0.000 -4.871) 4.871 ======================= Grid point 360 (89/102) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 9.198 -0.000 -0.000) 9.198 2.177 ( 19.234 -0.000 -0.000) 19.234 2.971 ( -6.109 0.000 0.000) 6.109 3.413 ( 6.412 -0.000 -0.000) 6.412 3.469 ( -38.029 0.000 0.000) 38.029 3.917 ( 16.458 -0.000 -0.000) 16.458 4.348 ( 17.673 -0.000 -0.000) 17.673 4.635 ( 12.881 -0.000 -0.000) 12.881 5.135 ( -18.955 0.000 0.000) 18.955 5.190 ( -2.673 0.000 0.000) 2.673 5.394 ( 9.625 -0.000 -0.000) 9.625 5.562 ( 2.794 -0.000 -0.000) 2.794 6.420 ( 12.307 -0.000 -0.000) 12.307 6.966 ( 8.645 -0.000 -0.000) 8.645 7.067 ( -3.019 0.000 0.000) 3.019 7.098 ( -1.715 0.000 0.000) 1.715 7.114 ( 0.847 -0.000 -0.000) 0.847 7.784 ( -8.077 0.000 0.000) 8.077 7.841 ( -1.478 0.000 0.000) 1.478 8.320 ( -13.812 0.000 0.000) 13.812 8.856 ( 1.679 -0.000 -0.000) 1.679 9.527 ( -21.360 0.000 0.000) 21.360 11.421 ( 13.647 -0.000 -0.000) 13.647 11.775 ( 3.504 -0.000 -0.000) 3.504 12.307 ( 3.987 -0.000 -0.000) 3.987 12.399 ( 14.172 -0.000 -0.000) 14.172 12.677 ( -4.934 0.000 0.000) 4.934 13.567 ( -18.180 0.000 0.000) 18.180 19.359 ( -0.144 0.000 0.000) 0.144 19.709 ( -10.345 0.000 0.000) 10.345 20.465 ( 0.971 -0.000 -0.000) 0.971 21.169 ( -19.944 0.000 0.000) 19.944 23.022 ( 23.946 -0.000 -0.000) 23.946 23.645 ( 0.031 -0.000 -0.000) 0.031 23.681 ( -1.256 0.000 0.000) 1.256 23.895 ( -3.924 0.000 0.000) 3.924 ======================= Grid point 370 (90/102) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 6.146 -37.060 -0.000) 37.566 2.418 ( 11.243 -1.869 -0.000) 11.397 2.859 ( -5.349 4.770 0.000) 7.167 2.873 ( -43.005 1.469 0.000) 43.030 3.556 ( 5.242 -9.113 -0.000) 10.513 3.991 ( -5.309 1.204 0.000) 5.444 4.573 ( 15.761 1.607 -0.000) 15.843 4.840 ( 12.191 -3.102 -0.000) 12.580 4.868 ( -1.894 11.841 0.000) 11.991 5.158 ( -4.935 0.855 0.000) 5.009 5.509 ( 8.322 1.561 -0.000) 8.468 5.590 ( 2.676 1.960 -0.000) 3.317 6.613 ( 10.635 -4.003 -0.000) 11.363 6.957 ( -2.426 6.166 0.000) 6.626 7.067 ( -0.174 -0.963 -0.000) 0.979 7.078 ( -1.348 -0.348 0.000) 1.392 7.210 ( 8.610 -4.923 -0.000) 9.918 7.625 ( -7.510 6.024 0.000) 9.628 7.868 ( 1.076 -3.380 -0.000) 3.547 8.128 ( -10.660 2.762 0.000) 11.012 8.913 ( 1.658 -5.069 -0.000) 5.333 9.255 ( -16.744 0.964 0.000) 16.772 11.593 ( 12.134 1.168 -0.000) 12.190 11.781 ( 3.070 5.339 0.000) 6.158 12.376 ( 2.507 -3.289 -0.000) 4.136 12.530 ( -2.282 -0.888 0.000) 2.448 12.700 ( 9.191 -5.449 -0.000) 10.685 13.287 ( -16.813 5.144 0.000) 17.582 19.360 ( 0.696 -0.367 -0.000) 0.787 19.538 ( -7.640 4.435 0.000) 8.834 20.568 ( -0.699 -12.265 -0.000) 12.284 20.937 ( -18.679 -4.075 0.000) 19.118 23.305 ( 18.259 1.323 -0.000) 18.307 23.599 ( -0.768 5.164 0.000) 5.221 23.687 ( 1.008 -1.403 -0.000) 1.727 23.831 ( -2.104 3.437 0.000) 4.030 ======================= Grid point 371 (91/102) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 6.835 0.000 7.963) 10.494 2.475 ( 10.931 0.000 9.626) 14.565 2.821 ( -37.335 -0.000 0.682) 37.341 3.134 ( -9.786 -0.000 19.992) 22.259 3.439 ( 3.978 0.000 -6.623) 7.726 3.977 ( -6.898 -0.000 -1.505) 7.061 4.545 ( 15.277 0.000 -4.508) 15.928 4.856 ( 14.972 0.000 2.878) 15.246 4.919 ( -4.589 -0.000 -3.615) 5.842 5.078 ( 4.572 0.000 -13.666) 14.411 5.388 ( -1.293 0.000 -1.992) 2.375 5.767 ( 5.860 -0.000 9.797) 11.416 6.568 ( 7.437 0.000 -2.133) 7.737 7.060 ( -1.070 -0.000 0.051) 1.071 7.087 ( 0.177 -0.000 8.863) 8.865 7.089 ( 2.059 0.000 1.609) 2.613 7.162 ( 4.323 0.000 -0.245) 4.330 7.633 ( -10.284 -0.000 -4.229) 11.120 7.884 ( 2.569 -0.000 5.199) 5.799 8.163 ( -8.601 -0.000 1.797) 8.787 8.951 ( 0.943 -0.000 9.182) 9.231 9.289 ( -15.888 -0.000 3.601) 16.291 11.541 ( 11.717 0.000 -8.668) 14.575 11.778 ( 2.798 0.000 -5.398) 6.080 11.953 ( 2.159 0.000 -28.755) 28.836 12.454 ( -4.030 0.000 -16.856) 17.331 12.947 ( 9.848 -0.000 27.202) 28.930 13.528 ( -14.587 -0.000 22.250) 26.606 19.358 ( -0.139 -0.000 0.061) 0.152 19.580 ( -9.537 -0.000 1.059) 9.596 20.478 ( 1.090 0.000 -0.279) 1.125 20.897 ( -16.712 -0.000 -1.574) 16.786 23.204 ( 16.933 0.000 -17.549) 24.386 23.473 ( -0.258 0.000 -8.774) 8.778 23.640 ( -4.175 -0.000 -0.017) 4.175 24.101 ( 3.040 -0.000 18.199) 18.451 ======================= Grid point 379 (92/102) ======================= q-point: ( 0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 2.174 -44.075 -0.000) 44.128 2.109 ( -44.075 2.174 0.000) 44.128 2.700 ( 2.726 1.233 0.000) 2.992 2.700 ( 1.233 2.726 0.000) 2.992 3.793 ( 3.935 -14.461 -0.000) 14.987 3.793 ( -14.461 3.935 0.000) 14.987 4.730 ( 11.656 5.697 -0.000) 12.974 4.730 ( 5.697 11.656 0.000) 12.974 5.032 ( 7.376 -4.265 -0.000) 8.521 5.032 ( -4.265 7.376 0.000) 8.521 5.576 ( 4.006 3.926 0.000) 5.609 5.576 ( 3.926 4.006 0.000) 5.609 6.806 ( 2.888 0.714 0.000) 2.975 6.806 ( 0.714 2.888 0.000) 2.975 7.070 ( -0.762 -0.768 0.000) 1.082 7.070 ( -0.768 -0.762 0.000) 1.082 7.420 ( 4.676 -2.409 0.000) 5.260 7.420 ( -2.409 4.676 0.000) 5.260 7.965 ( 1.072 -4.424 -0.000) 4.552 7.965 ( -4.424 1.072 0.000) 4.552 9.045 ( 0.099 -9.604 -0.000) 9.604 9.045 ( -9.604 0.099 0.000) 9.604 11.717 ( 7.089 4.516 0.000) 8.405 11.717 ( 4.516 7.089 0.000) 8.405 12.461 ( -1.692 -2.023 0.000) 2.637 12.461 ( -2.023 -1.692 0.000) 2.637 12.976 ( 4.696 -8.200 -0.000) 9.449 12.976 ( -8.200 4.696 0.000) 9.449 19.408 ( 1.490 -2.175 -0.000) 2.637 19.408 ( -2.175 1.490 0.000) 2.637 20.746 ( -7.348 -12.857 0.000) 14.809 20.746 ( -12.857 -7.348 0.000) 14.809 23.490 ( 8.835 2.340 -0.000) 9.140 23.490 ( 2.340 8.835 0.000) 9.140 23.748 ( 1.292 1.024 0.000) 1.649 23.748 ( 1.024 1.292 0.000) 1.649 ======================= Grid point 381 (93/102) ======================= q-point: (-0.40 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 4.240 -34.521 5.956) 35.287 2.185 ( -45.457 1.909 4.313) 45.701 2.604 ( 4.469 -0.160 3.050) 5.413 3.066 ( 2.041 4.588 22.576) 23.127 3.565 ( 2.756 -10.914 -6.066) 12.787 3.794 ( -15.396 1.478 -3.343) 15.824 4.728 ( 12.128 1.624 -5.301) 13.335 4.845 ( 2.002 7.732 -4.957) 9.400 5.042 ( 9.803 0.008 4.811) 10.919 5.120 ( 2.962 2.567 -2.583) 4.694 5.357 ( -0.495 1.891 -10.818) 10.993 5.830 ( 3.761 1.130 10.175) 10.907 6.645 ( 3.054 -0.044 -8.332) 8.875 7.044 ( -1.723 -0.942 -0.363) 1.997 7.074 ( 2.335 2.612 15.094) 15.495 7.099 ( -0.824 -0.399 3.668) 3.780 7.280 ( 6.542 -3.418 -6.433) 9.791 7.475 ( -8.228 2.978 -5.620) 10.400 7.946 ( 3.549 -2.293 5.877) 7.238 8.050 ( -5.449 2.058 4.871) 7.593 8.991 ( 0.862 -4.191 7.534) 8.664 9.104 ( -10.099 0.400 5.698) 11.603 11.671 ( 8.927 2.570 -10.815) 14.257 11.776 ( 2.362 4.296 -5.427) 7.313 11.989 ( -1.813 -3.811 -28.406) 28.717 12.411 ( -2.262 -0.405 -16.010) 16.174 13.107 ( 7.732 -5.417 25.007) 26.730 13.317 ( -10.569 4.699 25.876) 28.343 19.368 ( 0.633 -1.614 -0.192) 1.745 19.449 ( -6.118 1.603 0.850) 6.381 20.548 ( -0.571 -7.560 -1.649) 7.759 20.715 ( -13.549 -3.728 0.634) 14.067 23.355 ( 7.177 2.646 -26.547) 27.627 23.496 ( 2.960 -1.027 -1.805) 3.616 23.578 ( -2.198 2.342 0.425) 3.240 24.126 ( 3.931 3.213 19.851) 20.490 ======================= Grid point 382 (94/102) ======================= q-point: (-0.30 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 4.262 -0.000 11.507) 12.270 2.280 ( -42.983 -0.000 6.245) 43.434 2.785 ( 3.191 -0.000 19.411) 19.671 3.319 ( 1.079 0.000 -12.881) 12.926 3.350 ( -0.521 -0.000 1.210) 1.317 3.883 ( -12.048 -0.000 19.532) 22.949 4.634 ( 11.071 0.000 -7.306) 13.265 4.800 ( 0.747 0.000 -7.582) 7.618 4.859 ( 5.174 0.000 -24.160) 24.708 5.179 ( 13.036 0.000 9.739) 16.272 5.414 ( -2.781 -0.000 8.949) 9.371 5.929 ( 3.364 0.000 2.855) 4.412 6.535 ( 0.755 0.000 -6.950) 6.990 7.008 ( -2.807 -0.000 -2.747) 3.928 7.108 ( 0.715 0.000 -2.464) 2.565 7.181 ( 1.000 0.000 -1.789) 2.050 7.300 ( 0.010 -0.000 0.025) 0.027 7.447 ( -4.683 -0.000 10.677) 11.659 8.041 ( 3.685 -0.000 7.397) 8.264 8.139 ( -3.271 -0.000 4.551) 5.604 9.144 ( 0.138 -0.000 14.661) 14.662 9.230 ( -7.343 -0.000 10.363) 12.701 11.370 ( 3.649 0.000 -27.423) 27.664 11.662 ( 2.502 0.000 -12.025) 12.283 11.687 ( 1.686 0.000 -10.430) 10.566 12.148 ( -1.927 0.000 -16.321) 16.434 13.419 ( 4.699 -0.000 19.607) 20.163 13.799 ( -5.206 -0.000 30.807) 31.244 19.357 ( -0.127 -0.000 0.142) 0.191 19.476 ( -8.190 -0.000 1.394) 8.308 20.485 ( 0.892 0.000 -0.625) 1.089 20.673 ( -11.757 -0.000 -1.675) 11.876 22.949 ( 4.649 0.000 -27.190) 27.584 23.472 ( 3.504 0.000 -1.101) 3.673 23.606 ( -1.255 -0.000 1.065) 1.646 24.411 ( 4.730 -0.000 14.110) 14.881 ======================= Grid point 391 (95/102) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -13.773 -13.773 9.391) 21.624 1.744 ( -15.315 -15.315 9.316) 23.578 2.810 ( 0.697 0.697 18.734) 18.760 3.284 ( 3.085 3.085 -7.016) 8.262 3.403 ( -4.884 -4.884 -13.871) 15.496 3.779 ( -4.596 -4.596 28.241) 28.979 4.755 ( 3.470 3.470 -6.952) 8.510 4.760 ( 3.191 3.191 -8.290) 9.439 4.897 ( 2.908 2.908 -25.393) 25.724 5.305 ( 4.459 4.459 9.904) 11.741 5.364 ( 0.336 0.336 10.047) 10.058 5.954 ( 0.639 0.639 2.592) 2.744 6.539 ( 0.958 0.958 -7.846) 7.962 6.988 ( -2.076 -2.076 -3.081) 4.256 7.124 ( -0.493 -0.493 1.313) 1.487 7.190 ( 0.745 0.745 -9.876) 9.932 7.270 ( -4.075 -4.075 -8.034) 9.888 7.429 ( 3.029 3.029 21.855) 22.271 8.087 ( 0.454 0.454 6.456) 6.488 8.097 ( -0.299 -0.299 5.846) 5.861 9.153 ( -0.528 -0.528 13.088) 13.109 9.171 ( -1.914 -1.914 13.366) 13.637 11.390 ( 0.892 0.892 -29.055) 29.082 11.688 ( 1.559 1.559 -10.067) 10.306 11.695 ( 0.557 0.557 -11.870) 11.896 12.134 ( -0.815 -0.815 -15.924) 15.966 13.457 ( -0.542 -0.542 17.974) 17.991 13.756 ( 0.756 0.756 33.909) 33.926 19.366 ( -0.522 -0.522 -0.303) 0.797 19.401 ( -2.916 -2.916 1.228) 4.303 20.504 ( -0.756 -0.756 -2.223) 2.467 20.588 ( -6.656 -6.656 0.468) 9.425 22.978 ( 1.764 1.764 -27.193) 27.308 23.500 ( 0.291 0.291 -1.932) 1.975 23.596 ( 1.397 1.397 1.612) 2.550 24.443 ( 3.118 3.118 14.567) 15.220 ======================= Grid point 392 (96/102) ======================= q-point: (-0.30 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 1.902 -0.000 9.845) 10.027 1.890 ( -28.318 -0.000 8.470) 29.558 3.110 ( -0.122 0.000 -13.939) 13.940 3.133 ( -2.022 0.000 -5.146) 5.529 3.182 ( -1.800 -0.000 18.012) 18.101 4.217 ( -2.219 -0.000 26.428) 26.521 4.505 ( 1.125 0.000 -26.804) 26.827 4.629 ( 5.737 0.000 -8.721) 10.439 4.676 ( -0.667 0.000 -8.668) 8.694 5.483 ( 7.875 -0.000 10.197) 12.884 5.544 ( -0.848 -0.000 10.266) 10.301 5.955 ( 0.393 0.000 -2.124) 2.160 6.431 ( 0.524 0.000 -7.454) 7.472 6.903 ( -2.668 0.000 -5.581) 6.186 7.038 ( 1.367 0.000 -7.663) 7.784 7.093 ( -5.613 0.000 -8.945) 10.560 7.173 ( -1.695 -0.000 2.398) 2.936 7.796 ( 4.252 -0.000 22.166) 22.571 8.162 ( 0.845 -0.000 4.165) 4.249 8.178 ( -1.357 -0.000 3.925) 4.153 9.387 ( -0.104 -0.000 16.405) 16.405 9.388 ( -0.452 -0.000 15.466) 15.473 11.002 ( -0.071 0.000 -20.737) 20.737 11.506 ( 1.533 0.000 -13.524) 13.611 11.513 ( 0.557 0.000 -13.782) 13.793 11.921 ( -0.582 0.000 -10.853) 10.868 13.708 ( 0.954 -0.000 14.964) 14.994 14.256 ( 1.111 -0.000 29.413) 29.434 19.360 ( -0.067 -0.000 0.335) 0.341 19.398 ( -5.557 -0.000 1.005) 5.647 20.482 ( 0.450 0.000 -0.958) 1.058 20.527 ( -5.832 -0.000 -1.421) 6.003 22.600 ( 1.735 0.000 -23.275) 23.340 23.469 ( 0.270 0.000 -1.926) 1.945 23.637 ( 1.050 -0.000 2.316) 2.543 24.647 ( 3.453 -0.000 8.981) 9.622 ======================= Grid point 402 (97/102) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 0.000 -0.000 1.392) 1.392 1.773 ( 0.000 -0.000 1.392) 1.392 2.933 ( -0.000 0.000 -7.803) 7.803 2.933 ( -0.000 0.000 -7.803) 7.803 3.587 ( 0.000 -0.000 25.331) 25.331 4.104 ( -0.000 0.000 -25.320) 25.320 4.461 ( 0.000 -0.000 4.621) 4.621 4.530 ( -0.000 0.000 -8.881) 8.881 4.530 ( -0.000 0.000 -8.881) 8.881 5.686 ( 0.000 -0.000 8.469) 8.469 5.686 ( 0.000 -0.000 8.469) 8.469 5.900 ( -0.000 0.000 -4.883) 4.883 6.315 ( -0.000 0.000 -8.214) 8.214 6.788 ( -0.000 0.000 -6.017) 6.017 6.938 ( -0.000 0.000 -5.938) 5.938 6.938 ( -0.000 0.000 -5.938) 5.938 7.249 ( 0.000 -0.000 10.538) 10.538 8.169 ( 0.000 -0.000 21.299) 21.299 8.210 ( 0.000 -0.000 1.806) 1.806 8.210 ( 0.000 -0.000 1.806) 1.806 9.617 ( 0.000 -0.000 12.554) 12.554 9.617 ( 0.000 -0.000 12.554) 12.554 10.764 ( -0.000 0.000 -10.195) 10.195 11.303 ( -0.000 0.000 -13.045) 13.045 11.303 ( -0.000 0.000 -13.045) 13.045 11.802 ( -0.000 0.000 -4.088) 4.088 13.921 ( 0.000 -0.000 11.651) 11.651 14.670 ( 0.000 -0.000 22.511) 22.511 19.366 ( 0.000 -0.000 0.520) 0.520 19.366 ( 0.000 -0.000 0.520) 0.520 20.469 ( -0.000 0.000 -1.081) 1.081 20.469 ( -0.000 0.000 -1.081) 1.081 22.302 ( -0.000 0.000 -16.813) 16.813 23.444 ( -0.000 0.000 -1.124) 1.124 23.686 ( 0.000 -0.000 2.884) 2.884 24.772 ( 0.000 -0.000 3.986) 3.986 ======================= Grid point 478 (98/102) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 4.921 -0.000 -0.000) 4.921 2.161 ( -44.541 0.000 0.000) 44.541 2.647 ( 7.846 -0.000 -0.000) 7.846 2.832 ( -3.475 0.000 0.000) 3.475 3.546 ( 3.147 -0.000 -0.000) 3.147 3.847 ( -14.483 0.000 0.000) 14.483 4.792 ( 13.590 -0.000 -0.000) 13.590 4.957 ( 2.390 -0.000 -0.000) 2.390 4.969 ( 9.052 -0.000 -0.000) 9.052 5.124 ( -1.885 0.000 0.000) 1.885 5.616 ( 5.286 -0.000 -0.000) 5.286 5.640 ( 2.435 -0.000 -0.000) 2.435 6.726 ( 9.191 -0.000 -0.000) 9.191 6.950 ( -4.717 0.000 0.000) 4.717 7.055 ( -0.520 0.000 0.000) 0.520 7.058 ( -1.054 0.000 0.000) 1.054 7.299 ( 9.095 -0.000 -0.000) 9.095 7.561 ( -7.383 0.000 0.000) 7.383 7.874 ( 2.848 -0.000 -0.000) 2.848 8.023 ( -7.159 0.000 0.000) 7.159 8.897 ( 1.128 -0.000 -0.000) 1.128 9.066 ( -11.289 0.000 0.000) 11.289 11.750 ( 9.213 -0.000 -0.000) 9.213 11.855 ( 2.124 -0.000 -0.000) 2.124 12.382 ( 1.649 -0.000 -0.000) 1.649 12.475 ( -4.348 0.000 0.000) 4.348 12.786 ( 8.558 -0.000 -0.000) 8.558 13.111 ( -13.345 0.000 0.000) 13.345 19.356 ( -0.083 0.000 0.000) 0.083 19.458 ( -7.060 0.000 0.000) 7.060 20.495 ( 0.987 -0.000 -0.000) 0.987 20.697 ( -12.931 0.000 0.000) 12.931 23.485 ( 6.761 -0.000 -0.000) 6.761 23.591 ( -3.192 0.000 0.000) 3.192 23.732 ( 6.825 -0.000 -0.000) 6.825 23.858 ( 0.640 -0.000 -0.000) 0.640 ======================= Grid point 488 (99/102) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 2.082 -35.218 -0.000) 35.279 1.564 ( -35.218 2.082 0.000) 35.279 2.760 ( 2.064 1.588 0.000) 2.605 2.760 ( 1.588 2.064 0.000) 2.605 3.652 ( 1.680 -10.200 -0.000) 10.337 3.652 ( -10.200 1.680 0.000) 10.337 4.931 ( 7.116 3.657 -0.000) 8.001 4.931 ( 3.657 7.116 0.000) 8.001 5.075 ( 3.350 -0.680 -0.000) 3.418 5.075 ( -0.680 3.350 0.000) 3.418 5.655 ( 1.721 1.718 0.000) 2.432 5.655 ( 1.718 1.721 0.000) 2.432 6.852 ( 1.794 0.914 0.000) 2.014 6.852 ( 0.914 1.794 0.000) 2.014 7.051 ( -0.540 -0.540 0.000) 0.764 7.051 ( -0.540 -0.540 0.000) 0.764 7.437 ( 3.465 -3.102 -0.000) 4.651 7.437 ( -3.102 3.465 0.000) 4.651 7.934 ( 1.425 -2.669 -0.000) 3.025 7.934 ( -2.669 1.425 0.000) 3.025 8.946 ( 0.430 -5.215 -0.000) 5.232 8.946 ( -5.215 0.430 0.000) 5.232 11.842 ( 4.357 1.845 -0.000) 4.731 11.842 ( 1.845 4.357 0.000) 4.731 12.419 ( -1.016 -1.112 0.000) 1.507 12.419 ( -1.112 -1.016 0.000) 1.507 12.932 ( 1.000 -3.601 0.000) 3.737 12.932 ( -3.601 1.000 0.000) 3.737 19.378 ( 0.102 -2.911 -0.000) 2.913 19.378 ( -2.911 0.102 0.000) 2.913 20.559 ( -1.325 -6.315 -0.000) 6.452 20.559 ( -6.315 -1.325 0.000) 6.452 23.544 ( 0.996 -1.239 -0.000) 1.590 23.544 ( -1.239 0.996 0.000) 1.590 23.826 ( 3.240 3.060 0.000) 4.457 23.826 ( 3.060 3.240 0.000) 4.457 ======================= Grid point 490 (100/102) ======================= q-point: (-0.40 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 2.411 -0.000 7.283) 7.672 1.627 ( -34.021 -0.000 5.884) 34.526 2.648 ( 1.699 0.000 1.881) 2.535 3.147 ( 3.751 -0.000 28.406) 28.652 3.508 ( 1.161 0.000 -8.766) 8.843 3.605 ( -11.802 -0.000 -6.097) 13.284 4.874 ( 6.921 0.000 -7.009) 9.850 4.916 ( 0.961 0.000 -6.607) 6.677 5.164 ( 5.872 -0.000 9.289) 10.990 5.181 ( 2.879 -0.000 4.384) 5.244 5.356 ( -1.059 0.000 -19.138) 19.167 5.872 ( 1.396 -0.000 9.219) 9.324 6.679 ( 1.432 0.000 -9.691) 9.796 7.014 ( -1.223 0.000 -2.183) 2.503 7.087 ( -0.234 -0.000 2.685) 2.695 7.124 ( 1.756 -0.000 19.333) 19.412 7.329 ( 3.966 0.000 -8.107) 9.025 7.396 ( -5.441 0.000 -8.668) 10.235 7.973 ( 2.351 -0.000 6.785) 7.181 8.009 ( -2.728 -0.000 6.270) 6.838 8.971 ( 0.418 -0.000 8.052) 8.063 9.005 ( -4.664 -0.000 7.153) 8.539 11.792 ( 5.883 0.000 -9.703) 11.347 11.833 ( 1.058 0.000 -5.779) 5.875 11.932 ( -2.419 0.000 -31.085) 31.179 12.382 ( -1.213 0.000 -15.827) 15.873 13.144 ( 2.679 -0.000 22.054) 22.216 13.241 ( -4.361 -0.000 31.362) 31.663 19.355 ( -0.051 -0.000 0.012) 0.052 19.383 ( -3.993 -0.000 0.144) 3.996 20.503 ( 0.568 0.000 -0.358) 0.671 20.555 ( -6.820 -0.000 -0.431) 6.833 23.399 ( -0.072 0.000 -24.361) 24.361 23.526 ( 0.928 0.000 -1.469) 1.737 23.603 ( 2.371 0.000 -2.148) 3.199 24.196 ( 2.655 -0.000 20.365) 20.537 ======================= Grid point 500 (101/102) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.000 -0.000 11.052) 11.052 1.513 ( 0.000 -0.000 11.052) 11.052 2.821 ( 0.000 -0.000 18.449) 18.449 3.332 ( -0.000 0.000 -14.152) 14.152 3.332 ( -0.000 0.000 -14.152) 14.152 3.708 ( 0.000 -0.000 35.451) 35.451 4.804 ( -0.000 0.000 -8.249) 8.249 4.804 ( -0.000 0.000 -8.249) 8.249 4.940 ( -0.000 0.000 -27.798) 27.798 5.370 ( 0.000 -0.000 11.223) 11.223 5.370 ( 0.000 -0.000 11.223) 11.223 5.961 ( 0.000 -0.000 2.040) 2.040 6.555 ( -0.000 0.000 -7.948) 7.948 6.957 ( -0.000 0.000 -3.865) 3.865 7.124 ( 0.000 -0.000 2.150) 2.150 7.201 ( -0.000 0.000 -10.429) 10.429 7.201 ( -0.000 0.000 -10.429) 10.429 7.472 ( 0.000 -0.000 23.019) 23.019 8.093 ( 0.000 -0.000 6.045) 6.045 8.093 ( 0.000 -0.000 6.045) 6.045 9.147 ( 0.000 -0.000 14.161) 14.161 9.147 ( 0.000 -0.000 14.161) 14.161 11.396 ( -0.000 0.000 -30.383) 30.383 11.711 ( -0.000 0.000 -10.861) 10.861 11.711 ( -0.000 0.000 -10.861) 10.861 12.121 ( -0.000 0.000 -15.639) 15.639 13.449 ( 0.000 -0.000 18.698) 18.698 13.766 ( 0.000 -0.000 34.874) 34.874 19.356 ( 0.000 -0.000 0.121) 0.121 19.356 ( 0.000 -0.000 0.121) 0.121 20.499 ( -0.000 0.000 -0.726) 0.726 20.499 ( -0.000 0.000 -0.726) 0.726 22.999 ( -0.000 0.000 -26.704) 26.704 23.502 ( -0.000 0.000 -2.011) 2.011 23.619 ( 0.000 -0.000 1.197) 1.197 24.486 ( 0.000 -0.000 14.937) 14.937 ======================= Grid point 598 (102/102) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 -0.000 -0.000) 0.000 1.310 ( 0.000 -0.000 -0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 -0.000 0.000) 0.000 3.589 ( 0.000 -0.000 -0.000) 0.000 3.589 ( 0.000 -0.000 -0.000) 0.000 5.007 ( -0.000 0.000 0.000) 0.000 5.007 ( 0.000 -0.000 -0.000) 0.000 5.096 ( 0.000 -0.000 -0.000) 0.000 5.096 ( 0.000 -0.000 -0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 -0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 -0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 -0.000 0.000) 0.000 7.438 ( 0.000 -0.000 -0.000) 0.000 7.438 ( 0.000 -0.000 -0.000) 0.000 7.926 ( 0.000 -0.000 -0.000) 0.000 7.926 ( 0.000 -0.000 -0.000) 0.000 8.913 ( 0.000 -0.000 -0.000) 0.000 8.913 ( 0.000 -0.000 -0.000) 0.000 11.885 ( 0.000 -0.000 -0.000) 0.000 11.885 ( 0.000 -0.000 -0.000) 0.000 12.404 ( 0.000 0.000 0.000) 0.000 12.404 ( 0.000 -0.000 0.000) 0.000 12.912 ( 0.000 0.000 0.000) 0.000 12.912 ( 0.000 -0.000 0.000) 0.000 19.355 ( 0.000 -0.000 -0.000) 0.000 19.355 ( 0.000 -0.000 -0.000) 0.000 20.510 ( 0.000 -0.000 -0.000) 0.000 20.510 ( 0.000 -0.000 -0.000) 0.000 23.538 ( 0.000 0.000 0.000) 0.000 23.538 ( 0.000 -0.000 0.000) 0.000 23.874 ( 0.000 0.000 0.000) 0.000 23.874 ( 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 3530.753 3530.753 4869.853 0.000 0.000 0.000 3/36000 20.0 1669.808 1669.808 1284.740 0.000 0.000 0.000 3/36000 30.0 719.388 719.388 520.315 0.000 0.000 0.000 3/36000 40.0 375.529 375.529 272.708 0.000 0.000 0.000 3/36000 50.0 226.331 226.331 168.157 0.000 0.000 0.000 3/36000 60.0 152.326 152.326 115.399 0.000 0.000 0.000 3/36000 70.0 111.197 111.197 85.423 0.000 0.000 0.000 3/36000 80.0 86.127 86.127 66.815 0.000 0.000 0.000 3/36000 90.0 69.686 69.686 54.451 0.000 0.000 0.000 3/36000 100.0 58.263 58.263 45.784 0.000 0.000 0.000 3/36000 110.0 49.952 49.952 39.442 0.000 0.000 0.000 3/36000 120.0 43.676 43.676 34.634 0.000 0.000 0.000 3/36000 130.0 38.790 38.790 30.881 0.000 0.000 0.000 3/36000 140.0 34.889 34.889 27.878 0.000 0.000 0.000 3/36000 150.0 31.708 31.708 25.425 0.000 0.000 0.000 3/36000 160.0 29.068 29.068 23.384 0.000 0.000 0.000 3/36000 170.0 26.843 26.843 21.661 0.000 0.000 0.000 3/36000 180.0 24.943 24.943 20.186 0.000 0.000 0.000 3/36000 190.0 23.302 23.302 18.909 0.000 0.000 0.000 3/36000 200.0 21.870 21.870 17.792 0.000 0.000 0.000 3/36000 210.0 20.610 20.610 16.806 0.000 0.000 0.000 3/36000 220.0 19.492 19.492 15.929 0.000 0.000 0.000 3/36000 230.0 18.494 18.494 15.144 0.000 0.000 0.000 3/36000 240.0 17.597 17.597 14.436 0.000 0.000 0.000 3/36000 250.0 16.786 16.786 13.795 0.000 0.000 0.000 3/36000 260.0 16.049 16.049 13.210 0.000 0.000 0.000 3/36000 270.0 15.377 15.377 12.676 0.000 0.000 0.000 3/36000 280.0 14.761 14.761 12.185 0.000 0.000 0.000 3/36000 290.0 14.194 14.194 11.732 0.000 0.000 0.000 3/36000 300.0 13.671 13.671 11.313 0.000 0.000 0.000 3/36000 310.0 13.186 13.186 10.924 0.000 0.000 0.000 3/36000 320.0 12.736 12.736 10.561 0.000 0.000 0.000 3/36000 330.0 12.316 12.316 10.223 0.000 0.000 0.000 3/36000 340.0 11.924 11.924 9.907 0.000 0.000 0.000 3/36000 350.0 11.557 11.557 9.610 0.000 0.000 0.000 3/36000 360.0 11.213 11.213 9.331 0.000 0.000 0.000 3/36000 370.0 10.889 10.889 9.068 0.000 0.000 0.000 3/36000 380.0 10.584 10.584 8.820 0.000 0.000 0.000 3/36000 390.0 10.296 10.296 8.585 0.000 0.000 0.000 3/36000 400.0 10.023 10.023 8.363 0.000 0.000 0.000 3/36000 410.0 9.766 9.766 8.153 0.000 0.000 0.000 3/36000 420.0 9.521 9.521 7.953 0.000 0.000 0.000 3/36000 430.0 9.288 9.288 7.763 0.000 0.000 0.000 3/36000 440.0 9.067 9.067 7.581 0.000 0.000 0.000 3/36000 450.0 8.857 8.857 7.409 0.000 0.000 0.000 3/36000 460.0 8.656 8.656 7.244 0.000 0.000 0.000 3/36000 470.0 8.464 8.464 7.086 0.000 0.000 0.000 3/36000 480.0 8.281 8.281 6.935 0.000 0.000 0.000 3/36000 490.0 8.106 8.106 6.791 0.000 0.000 0.000 3/36000 500.0 7.938 7.938 6.653 0.000 0.000 0.000 3/36000 510.0 7.777 7.777 6.520 0.000 0.000 0.000 3/36000 520.0 7.623 7.623 6.392 0.000 0.000 0.000 3/36000 530.0 7.474 7.474 6.270 0.000 0.000 0.000 3/36000 540.0 7.332 7.332 6.152 0.000 0.000 0.000 3/36000 550.0 7.194 7.194 6.038 0.000 0.000 0.000 3/36000 560.0 7.062 7.062 5.929 0.000 0.000 0.000 3/36000 570.0 6.935 6.935 5.824 0.000 0.000 0.000 3/36000 580.0 6.813 6.813 5.722 0.000 0.000 0.000 3/36000 590.0 6.694 6.694 5.624 0.000 0.000 0.000 3/36000 600.0 6.580 6.580 5.529 0.000 0.000 0.000 3/36000 610.0 6.470 6.470 5.437 0.000 0.000 0.000 3/36000 620.0 6.363 6.363 5.349 0.000 0.000 0.000 3/36000 630.0 6.260 6.260 5.263 0.000 0.000 0.000 3/36000 640.0 6.160 6.160 5.180 0.000 0.000 0.000 3/36000 650.0 6.063 6.063 5.099 0.000 0.000 0.000 3/36000 660.0 5.970 5.970 5.021 0.000 0.000 0.000 3/36000 670.0 5.879 5.879 4.946 0.000 0.000 0.000 3/36000 680.0 5.791 5.791 4.873 0.000 0.000 0.000 3/36000 690.0 5.706 5.706 4.801 0.000 0.000 0.000 3/36000 700.0 5.623 5.623 4.732 0.000 0.000 0.000 3/36000 710.0 5.542 5.542 4.665 0.000 0.000 0.000 3/36000 720.0 5.464 5.464 4.600 0.000 0.000 0.000 3/36000 730.0 5.388 5.388 4.536 0.000 0.000 0.000 3/36000 740.0 5.314 5.314 4.475 0.000 0.000 0.000 3/36000 750.0 5.242 5.242 4.415 0.000 0.000 0.000 3/36000 760.0 5.172 5.172 4.356 0.000 0.000 0.000 3/36000 770.0 5.104 5.104 4.299 0.000 0.000 0.000 3/36000 780.0 5.038 5.038 4.244 0.000 0.000 0.000 3/36000 790.0 4.973 4.973 4.190 0.000 0.000 0.000 3/36000 800.0 4.910 4.910 4.137 0.000 0.000 0.000 3/36000 810.0 4.849 4.849 4.086 0.000 0.000 0.000 3/36000 820.0 4.789 4.789 4.036 0.000 0.000 0.000 3/36000 830.0 4.731 4.731 3.987 0.000 0.000 0.000 3/36000 840.0 4.674 4.674 3.939 0.000 0.000 0.000 3/36000 850.0 4.618 4.618 3.893 0.000 0.000 0.000 3/36000 860.0 4.564 4.564 3.847 0.000 0.000 0.000 3/36000 870.0 4.511 4.511 3.803 0.000 0.000 0.000 3/36000 880.0 4.459 4.459 3.760 0.000 0.000 0.000 3/36000 890.0 4.408 4.408 3.717 0.000 0.000 0.000 3/36000 900.0 4.359 4.359 3.676 0.000 0.000 0.000 3/36000 910.0 4.311 4.311 3.635 0.000 0.000 0.000 3/36000 920.0 4.263 4.263 3.596 0.000 0.000 0.000 3/36000 930.0 4.217 4.217 3.557 0.000 0.000 0.000 3/36000 940.0 4.172 4.172 3.519 0.000 0.000 0.000 3/36000 950.0 4.128 4.128 3.482 0.000 0.000 0.000 3/36000 960.0 4.084 4.084 3.445 0.000 0.000 0.000 3/36000 970.0 4.042 4.042 3.410 0.000 0.000 0.000 3/36000 980.0 4.000 4.000 3.375 0.000 0.000 0.000 3/36000 990.0 3.960 3.960 3.341 0.000 0.000 0.000 3/36000 1000.0 3.920 3.920 3.307 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 2026-01-07 20:28:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|