----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:55:19]------------------------- 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: [2 2 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: F-43m (216) Number of symmetry operations in supercell: 768 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 2.188761355000000 2.188761355000000 b 2.188761355000000 0.000000000000000 2.188761355000000 c 2.188761355000000 2.188761355000000 0.000000000000000 Atomic positions (fractional): *1 N 0.25000000000000 0.25000000000000 0.25000000000000 14.007 *2 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.377522709999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.377522709999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.377522709999999 Atomic positions (fractional): *1 N 0.25000000000000 0.75000000000000 0.75000000000000 14.007 > 1 2 N 0.25000000000000 0.25000000000000 0.25000000000000 14.007 > 1 3 N 0.75000000000000 0.75000000000000 0.25000000000000 14.007 > 1 4 N 0.75000000000000 0.25000000000000 0.75000000000000 14.007 > 1 *5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 2 6 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 2 7 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 2 8 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 2 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.755045419999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.755045419999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755045419999998 Atomic positions (fractional): *1 N 0.12500000000000 0.37500000000000 0.37500000000000 14.007 > 1 2 N 0.62500000000000 0.37500000000000 0.37500000000000 14.007 > 1 3 N 0.12500000000000 0.87500000000000 0.37500000000000 14.007 > 1 4 N 0.62500000000000 0.87500000000000 0.37500000000000 14.007 > 1 5 N 0.12500000000000 0.37500000000000 0.87500000000000 14.007 > 1 6 N 0.62500000000000 0.37500000000000 0.87500000000000 14.007 > 1 7 N 0.12500000000000 0.87500000000000 0.87500000000000 14.007 > 1 8 N 0.62500000000000 0.87500000000000 0.87500000000000 14.007 > 1 9 N 0.12500000000000 0.12500000000000 0.12500000000000 14.007 > 1 10 N 0.62500000000000 0.12500000000000 0.12500000000000 14.007 > 1 11 N 0.12500000000000 0.62500000000000 0.12500000000000 14.007 > 1 12 N 0.62500000000000 0.62500000000000 0.12500000000000 14.007 > 1 13 N 0.12500000000000 0.12500000000000 0.62500000000000 14.007 > 1 14 N 0.62500000000000 0.12500000000000 0.62500000000000 14.007 > 1 15 N 0.12500000000000 0.62500000000000 0.62500000000000 14.007 > 1 16 N 0.62500000000000 0.62500000000000 0.62500000000000 14.007 > 1 17 N 0.37500000000000 0.37500000000000 0.12500000000000 14.007 > 1 18 N 0.87500000000000 0.37500000000000 0.12500000000000 14.007 > 1 19 N 0.37500000000000 0.87500000000000 0.12500000000000 14.007 > 1 20 N 0.87500000000000 0.87500000000000 0.12500000000000 14.007 > 1 21 N 0.37500000000000 0.37500000000000 0.62500000000000 14.007 > 1 22 N 0.87500000000000 0.37500000000000 0.62500000000000 14.007 > 1 23 N 0.37500000000000 0.87500000000000 0.62500000000000 14.007 > 1 24 N 0.87500000000000 0.87500000000000 0.62500000000000 14.007 > 1 25 N 0.37500000000000 0.12500000000000 0.37500000000000 14.007 > 1 26 N 0.87500000000000 0.12500000000000 0.37500000000000 14.007 > 1 27 N 0.37500000000000 0.62500000000000 0.37500000000000 14.007 > 1 28 N 0.87500000000000 0.62500000000000 0.37500000000000 14.007 > 1 29 N 0.37500000000000 0.12500000000000 0.87500000000000 14.007 > 1 30 N 0.87500000000000 0.12500000000000 0.87500000000000 14.007 > 1 31 N 0.37500000000000 0.62500000000000 0.87500000000000 14.007 > 1 32 N 0.87500000000000 0.62500000000000 0.87500000000000 14.007 > 1 *33 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 2 34 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 2 35 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 2 36 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 2 37 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 2 38 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 2 39 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 2 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 2 41 Al 0.00000000000000 0.25000000000000 0.25000000000000 26.982 > 2 42 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 2 43 Al 0.00000000000000 0.75000000000000 0.25000000000000 26.982 > 2 44 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 2 45 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 2 46 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 2 47 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 2 48 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 2 49 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 2 50 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 2 51 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 2 52 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 2 53 Al 0.25000000000000 0.00000000000000 0.75000000000000 26.982 > 2 54 Al 0.75000000000000 0.00000000000000 0.75000000000000 26.982 > 2 55 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 2 56 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 2 57 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 2 58 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 2 59 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 2 60 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 2 61 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 2 62 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 2 63 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 2 64 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 2 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6333522 0.0000000 0.0000000 0.0000000 4.6333522 0.0000000 0.0000000 0.0000000 4.6333522 -------------------------- Born effective charges -------------------------- 1 N -2.5355383 0.0000000 0.0000000 0.0000000 -2.5355383 0.0000000 0.0000000 0.0000000 -2.5355383 2 Al 2.5355383 0.0000000 0.0000000 0.0000000 2.5355383 0.0000000 0.0000000 0.0000000 2.5355383 ---------------------------------------------------------------------------- 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: 192/192 Permutation basis: 852/852 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 42 Number of blocks in projector: 42 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 26 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 16 Use standard eigh solver. Tree of FC basis block matrices: - (42, 40), data: False |-- (16, 16), data: True |-- (26, 24), data: True ----- Solver_atoms: 1 -- 64 / 64 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 80 / 80 - Time: 0.011 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.014 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 192/192 Permutation basis: 852/852 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 42 Number of blocks in projector: 42 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 26 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 16 Use standard eigh solver. Tree of FC basis block matrices: - (42, 40), data: False |-- (16, 16), data: True |-- (26, 24), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:55:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:55:21]------------------------- 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): [2 2 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: F-43m (216) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 2.188761355000000 2.188761355000000 b 2.188761355000000 0.000000000000000 2.188761355000000 c 2.188761355000000 2.188761355000000 0.000000000000000 Atomic positions (fractional): 1 N 0.25000000000000 0.25000000000000 0.25000000000000 14.007 2 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.755045419999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.755045419999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755045419999998 Atomic positions (fractional): 1 N 0.12500000000000 0.37500000000000 0.37500000000000 14.007 > 1 2 N 0.62500000000000 0.37500000000000 0.37500000000000 14.007 > 1 3 N 0.12500000000000 0.87500000000000 0.37500000000000 14.007 > 1 4 N 0.62500000000000 0.87500000000000 0.37500000000000 14.007 > 1 5 N 0.12500000000000 0.37500000000000 0.87500000000000 14.007 > 1 6 N 0.62500000000000 0.37500000000000 0.87500000000000 14.007 > 1 7 N 0.12500000000000 0.87500000000000 0.87500000000000 14.007 > 1 8 N 0.62500000000000 0.87500000000000 0.87500000000000 14.007 > 1 9 N 0.12500000000000 0.12500000000000 0.12500000000000 14.007 > 1 10 N 0.62500000000000 0.12500000000000 0.12500000000000 14.007 > 1 11 N 0.12500000000000 0.62500000000000 0.12500000000000 14.007 > 1 12 N 0.62500000000000 0.62500000000000 0.12500000000000 14.007 > 1 13 N 0.12500000000000 0.12500000000000 0.62500000000000 14.007 > 1 14 N 0.62500000000000 0.12500000000000 0.62500000000000 14.007 > 1 15 N 0.12500000000000 0.62500000000000 0.62500000000000 14.007 > 1 16 N 0.62500000000000 0.62500000000000 0.62500000000000 14.007 > 1 17 N 0.37500000000000 0.37500000000000 0.12500000000000 14.007 > 1 18 N 0.87500000000000 0.37500000000000 0.12500000000000 14.007 > 1 19 N 0.37500000000000 0.87500000000000 0.12500000000000 14.007 > 1 20 N 0.87500000000000 0.87500000000000 0.12500000000000 14.007 > 1 21 N 0.37500000000000 0.37500000000000 0.62500000000000 14.007 > 1 22 N 0.87500000000000 0.37500000000000 0.62500000000000 14.007 > 1 23 N 0.37500000000000 0.87500000000000 0.62500000000000 14.007 > 1 24 N 0.87500000000000 0.87500000000000 0.62500000000000 14.007 > 1 25 N 0.37500000000000 0.12500000000000 0.37500000000000 14.007 > 1 26 N 0.87500000000000 0.12500000000000 0.37500000000000 14.007 > 1 27 N 0.37500000000000 0.62500000000000 0.37500000000000 14.007 > 1 28 N 0.87500000000000 0.62500000000000 0.37500000000000 14.007 > 1 29 N 0.37500000000000 0.12500000000000 0.87500000000000 14.007 > 1 30 N 0.87500000000000 0.12500000000000 0.87500000000000 14.007 > 1 31 N 0.37500000000000 0.62500000000000 0.87500000000000 14.007 > 1 32 N 0.87500000000000 0.62500000000000 0.87500000000000 14.007 > 1 33 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 33 34 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 33 35 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 33 36 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 33 37 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 33 38 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 33 39 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 33 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 33 41 Al 0.00000000000000 0.25000000000000 0.25000000000000 26.982 > 33 42 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 33 43 Al 0.00000000000000 0.75000000000000 0.25000000000000 26.982 > 33 44 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 33 45 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 33 46 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 33 47 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 33 48 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 33 49 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 33 50 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 33 51 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 33 52 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 33 53 Al 0.25000000000000 0.00000000000000 0.75000000000000 26.982 > 33 54 Al 0.75000000000000 0.00000000000000 0.75000000000000 26.982 > 33 55 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 33 56 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 33 57 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 33 58 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 33 59 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 33 60 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 33 61 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 33 62 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 33 63 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 33 64 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6333522 0.0000000 0.0000000 0.0000000 4.6333522 0.0000000 0.0000000 0.0000000 4.6333522 -------------------------- Born effective charges -------------------------- 1 N -2.5355383 0.0000000 0.0000000 0.0000000 -2.5355383 0.0000000 0.0000000 0.0000000 -2.5355383 2 Al 2.5355383 0.0000000 0.0000000 0.0000000 2.5355383 0.0000000 0.0000000 0.0000000 2.5355383 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000031 (yxz) 0.00000031 (yxz) 0.00000031 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 18:55:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:55:23]------------------------- 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): [2 2 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: F-43m (216) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 2.188761355000000 2.188761355000000 b 2.188761355000000 0.000000000000000 2.188761355000000 c 2.188761355000000 2.188761355000000 0.000000000000000 Atomic positions (fractional): 1 N 0.25000000000000 0.25000000000000 0.25000000000000 14.007 2 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.755045419999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.755045419999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755045419999998 Atomic positions (fractional): 1 N 0.12500000000000 0.37500000000000 0.37500000000000 14.007 > 1 2 N 0.62500000000000 0.37500000000000 0.37500000000000 14.007 > 1 3 N 0.12500000000000 0.87500000000000 0.37500000000000 14.007 > 1 4 N 0.62500000000000 0.87500000000000 0.37500000000000 14.007 > 1 5 N 0.12500000000000 0.37500000000000 0.87500000000000 14.007 > 1 6 N 0.62500000000000 0.37500000000000 0.87500000000000 14.007 > 1 7 N 0.12500000000000 0.87500000000000 0.87500000000000 14.007 > 1 8 N 0.62500000000000 0.87500000000000 0.87500000000000 14.007 > 1 9 N 0.12500000000000 0.12500000000000 0.12500000000000 14.007 > 1 10 N 0.62500000000000 0.12500000000000 0.12500000000000 14.007 > 1 11 N 0.12500000000000 0.62500000000000 0.12500000000000 14.007 > 1 12 N 0.62500000000000 0.62500000000000 0.12500000000000 14.007 > 1 13 N 0.12500000000000 0.12500000000000 0.62500000000000 14.007 > 1 14 N 0.62500000000000 0.12500000000000 0.62500000000000 14.007 > 1 15 N 0.12500000000000 0.62500000000000 0.62500000000000 14.007 > 1 16 N 0.62500000000000 0.62500000000000 0.62500000000000 14.007 > 1 17 N 0.37500000000000 0.37500000000000 0.12500000000000 14.007 > 1 18 N 0.87500000000000 0.37500000000000 0.12500000000000 14.007 > 1 19 N 0.37500000000000 0.87500000000000 0.12500000000000 14.007 > 1 20 N 0.87500000000000 0.87500000000000 0.12500000000000 14.007 > 1 21 N 0.37500000000000 0.37500000000000 0.62500000000000 14.007 > 1 22 N 0.87500000000000 0.37500000000000 0.62500000000000 14.007 > 1 23 N 0.37500000000000 0.87500000000000 0.62500000000000 14.007 > 1 24 N 0.87500000000000 0.87500000000000 0.62500000000000 14.007 > 1 25 N 0.37500000000000 0.12500000000000 0.37500000000000 14.007 > 1 26 N 0.87500000000000 0.12500000000000 0.37500000000000 14.007 > 1 27 N 0.37500000000000 0.62500000000000 0.37500000000000 14.007 > 1 28 N 0.87500000000000 0.62500000000000 0.37500000000000 14.007 > 1 29 N 0.37500000000000 0.12500000000000 0.87500000000000 14.007 > 1 30 N 0.87500000000000 0.12500000000000 0.87500000000000 14.007 > 1 31 N 0.37500000000000 0.62500000000000 0.87500000000000 14.007 > 1 32 N 0.87500000000000 0.62500000000000 0.87500000000000 14.007 > 1 33 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 33 34 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 33 35 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 33 36 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 33 37 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 33 38 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 33 39 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 33 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 33 41 Al 0.00000000000000 0.25000000000000 0.25000000000000 26.982 > 33 42 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 33 43 Al 0.00000000000000 0.75000000000000 0.25000000000000 26.982 > 33 44 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 33 45 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 33 46 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 33 47 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 33 48 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 33 49 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 33 50 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 33 51 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 33 52 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 33 53 Al 0.25000000000000 0.00000000000000 0.75000000000000 26.982 > 33 54 Al 0.75000000000000 0.00000000000000 0.75000000000000 26.982 > 33 55 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 33 56 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 33 57 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 33 58 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 33 59 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 33 60 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 33 61 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 33 62 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 33 63 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 33 64 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6333522 0.0000000 0.0000000 0.0000000 4.6333522 0.0000000 0.0000000 0.0000000 4.6333522 -------------------------- Born effective charges -------------------------- 1 N -2.5355383 0.0000000 0.0000000 0.0000000 -2.5355383 0.0000000 0.0000000 0.0000000 -2.5355383 2 Al 2.5355383 0.0000000 0.0000000 0.0000000 2.5355383 0.0000000 0.0000000 0.0000000 2.5355383 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000031 (yxz) 0.00000031 (yxz) 0.00000031 (yzx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 20 20 20 ] 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: 1.51, Number of G-points: 307, Lambda: 0.34 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/256) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 256 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 19.537 ( 0.000 0.000 0.000) 0.000 19.537 ( -0.000 0.000 0.000) 0.000 19.537 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/256) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 770 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -32.397 32.397 32.397) 56.114 1.124 ( -32.397 32.397 32.397) 56.114 2.320 ( -67.245 67.245 67.245) 116.472 19.546 ( -0.479 0.479 0.479) 0.829 19.546 ( -0.479 0.479 0.479) 0.829 26.382 ( 3.365 -3.365 -3.365) 5.828 ======================= Grid point 2 (3/256) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 781 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -30.621 30.621 30.621) 53.038 2.207 ( -30.621 30.621 30.621) 53.038 4.594 ( -65.317 65.317 65.317) 113.132 19.567 ( -0.664 0.664 0.664) 1.149 19.567 ( -0.664 0.664 0.664) 1.149 26.208 ( 6.856 -6.856 -6.856) 11.874 ======================= Grid point 3 (4/256) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 770 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( -27.892 27.892 27.892) 48.311 3.212 ( -27.892 27.892 27.892) 48.311 6.784 ( -62.361 62.361 62.361) 108.013 19.586 ( -0.390 0.390 0.390) 0.676 19.586 ( -0.390 0.390 0.390) 0.676 25.910 ( 10.534 -10.534 -10.534) 18.245 ======================= Grid point 4 (5/256) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 781 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.111 ( -24.489 24.489 24.489) 42.415 4.111 ( -24.489 24.489 24.489) 42.415 8.859 ( -58.676 58.676 58.676) 101.630 19.589 ( 0.304 -0.304 -0.304) 0.526 19.589 ( 0.304 -0.304 -0.304) 0.526 25.484 ( 14.354 -14.354 -14.354) 24.862 ======================= Grid point 5 (6/256) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 770 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.886 ( -20.685 20.685 20.685) 35.828 4.886 ( -20.685 20.685 20.685) 35.828 10.800 ( -54.518 54.518 54.518) 94.429 19.563 ( 1.197 -1.197 -1.197) 2.073 19.563 ( 1.197 -1.197 -1.197) 2.073 24.927 ( 18.138 -18.138 -18.138) 31.415 ======================= Grid point 6 (7/256) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 781 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.526 ( -16.686 16.686 16.686) 28.901 5.526 ( -16.686 16.686 16.686) 28.901 12.591 ( -49.958 49.958 49.958) 86.530 19.508 ( 1.966 -1.966 -1.966) 3.405 19.508 ( 1.966 -1.966 -1.966) 3.405 24.245 ( 21.538 -21.538 -21.538) 37.306 ======================= Grid point 7 (8/256) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 770 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.028 ( -12.597 12.597 12.597) 21.819 6.028 ( -12.597 12.597 12.597) 21.819 14.215 ( -44.654 44.654 44.654) 77.343 19.433 ( 2.306 -2.306 -2.306) 3.994 19.433 ( 2.306 -2.306 -2.306) 3.994 23.462 ( 23.912 -23.912 -23.912) 41.417 ======================= Grid point 8 (9/256) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 781 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.389 ( -8.448 8.448 8.448) 14.633 6.389 ( -8.448 8.448 8.448) 14.633 15.629 ( -37.292 37.292 37.292) 64.592 19.357 ( 2.041 -2.041 -2.041) 3.536 19.357 ( 2.041 -2.041 -2.041) 3.536 22.634 ( 23.805 -23.805 -23.805) 41.232 ======================= Grid point 9 (10/256) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 770 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.606 ( -4.243 4.243 4.243) 7.350 6.606 ( -4.243 4.243 4.243) 7.350 16.706 ( -24.089 24.089 24.089) 41.723 19.300 ( 1.197 -1.197 -1.197) 2.074 19.300 ( 1.197 -1.197 -1.197) 2.074 21.900 ( 17.462 -17.462 -17.462) 30.246 ======================= Grid point 10 (11/256) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.679 ( -0.000 0.000 0.000) 0.000 6.679 ( -0.000 0.000 0.000) 0.000 17.148 ( -0.000 0.000 0.000) 0.000 19.279 ( -0.000 0.000 0.000) 0.000 19.279 ( -0.000 0.000 0.000) 0.000 21.572 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 22 (12/256) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 635 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -0.000 0.000 72.245) 72.245 1.670 ( -0.000 0.000 72.245) 72.245 2.132 ( -0.000 0.000 93.132) 93.132 19.547 ( -0.000 0.000 0.817) 0.817 19.547 ( -0.000 0.000 0.817) 0.817 26.375 ( 0.000 -0.000 -5.652) 5.652 ======================= Grid point 23 (13/256) ======================= q-point: ( 0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 3.412 -3.412 68.308) 68.478 2.580 ( -7.991 7.991 67.029) 67.975 4.002 ( -53.968 53.968 77.972) 109.108 19.564 ( -0.448 0.448 1.111) 1.279 19.565 ( -0.499 0.499 1.144) 1.344 26.244 ( 4.165 -4.165 -8.766) 10.561 ======================= Grid point 24 (14/256) ======================= q-point: ( 0.15 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( -8.157 8.157 56.580) 57.744 3.516 ( -9.736 9.736 60.075) 61.632 6.137 ( -58.236 58.236 68.912) 107.386 19.589 ( -0.328 0.328 1.221) 1.306 19.589 ( -0.338 0.338 1.219) 1.310 25.986 ( 7.836 -7.836 -12.518) 16.718 ======================= Grid point 25 (15/256) ======================= q-point: ( 0.20 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( -12.184 12.184 47.633) 50.654 4.378 ( -8.990 8.990 53.016) 54.520 8.210 ( -57.494 57.494 61.911) 102.197 19.597 ( 0.656 -0.656 0.922) 1.309 19.608 ( 0.067 -0.067 1.065) 1.069 25.599 ( 11.478 -11.478 -16.554) 23.185 ======================= Grid point 26 (16/256) ======================= q-point: ( 0.25 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.692 ( -12.052 12.052 41.440) 44.808 5.129 ( -7.105 7.105 45.902) 46.988 10.168 ( -55.099 55.099 55.445) 95.634 19.577 ( 1.711 -1.711 0.356) 2.445 19.606 ( 1.099 -1.099 0.765) 1.732 25.083 ( 15.138 -15.138 -20.505) 29.645 ======================= Grid point 27 (17/256) ======================= q-point: ( 0.30 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.390 ( -9.650 9.650 37.127) 39.556 5.748 ( -4.707 4.707 38.788) 39.355 11.988 ( -51.857 51.857 49.094) 88.252 19.528 ( 2.649 -2.649 -0.031) 3.746 19.573 ( 2.300 -2.300 0.384) 3.275 24.442 ( 18.633 -18.633 -23.947) 35.606 ======================= Grid point 28 (18/256) ======================= q-point: ( 0.35 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.975 ( -5.935 5.935 34.037) 35.057 6.228 ( -2.093 2.093 31.728) 31.866 13.651 ( -47.818 47.818 42.436) 79.837 19.461 ( 3.212 -3.212 0.217) 4.548 19.511 ( 3.237 -3.237 0.008) 4.577 23.694 ( 21.508 -21.508 -26.280) 40.197 ======================= Grid point 29 (19/256) ======================= q-point: ( 0.40 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.436 ( -1.416 1.416 31.697) 31.760 6.568 ( 0.627 -0.627 24.716) 24.732 15.125 ( -42.210 42.210 34.411) 68.902 19.394 ( 3.286 -3.286 1.352) 4.839 19.431 ( 3.511 -3.511 -0.294) 4.974 22.880 ( 22.721 -22.721 -26.361) 41.562 ======================= Grid point 30 (20/256) ======================= q-point: ( 0.45 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.762 ( 3.613 -3.613 29.789) 30.224 6.764 ( 3.424 -3.424 17.685) 18.336 16.320 ( -32.403 32.403 22.242) 50.938 19.348 ( 2.910 -2.910 3.239) 5.237 19.351 ( 2.915 -2.915 -0.481) 4.150 22.104 ( 19.568 -19.568 -21.442) 35.008 ======================= Grid point 31 (21/256) ======================= q-point: ( 0.50 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.815 ( 6.263 -6.263 10.567) 13.788 6.950 ( 8.957 -8.957 28.154) 30.872 17.002 ( -12.852 12.852 0.955) 18.200 19.293 ( 1.523 -1.523 -0.541) 2.221 19.338 ( 2.215 -2.215 5.456) 6.291 21.610 ( 6.620 -6.620 -6.782) 11.560 ======================= Grid point 32 (22/256) ======================= q-point: (-0.45 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.719 ( 9.076 -9.076 3.350) 13.265 6.996 ( 14.483 -14.483 26.777) 33.713 16.855 ( 13.098 -13.098 -24.449) 30.674 19.273 ( -0.306 0.306 -0.495) 0.658 19.372 ( 1.533 -1.533 7.800) 8.096 21.720 ( -12.704 12.704 11.901) 21.550 ======================= Grid point 33 (23/256) ======================= q-point: (-0.40 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.477 ( 11.794 -11.794 -3.884) 17.126 6.900 ( 20.126 -20.126 25.724) 38.365 15.963 ( 30.237 -30.237 -39.553) 58.250 19.296 ( -2.052 2.052 -0.395) 2.928 19.440 ( 1.310 -1.310 9.482) 9.661 22.345 ( -23.221 23.221 20.104) 38.505 ======================= Grid point 34 (24/256) ======================= q-point: (-0.35 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.093 ( 14.401 -14.401 -10.938) 23.117 6.664 ( 25.878 -25.878 25.060) 44.355 14.658 ( 39.668 -39.668 -46.872) 73.103 19.353 ( -3.220 3.220 -0.305) 4.564 19.521 ( 1.417 -1.417 9.806) 10.009 23.149 ( -25.611 25.611 20.535) 41.636 ======================= Grid point 35 (25/256) ======================= q-point: (-0.30 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.572 ( 16.959 -16.959 -17.498) 29.688 6.291 ( 31.757 -31.757 24.805) 51.306 13.113 ( 46.124 -46.124 -51.154) 82.895 19.429 ( -3.522 3.522 -0.275) 4.989 19.592 ( 1.730 -1.730 8.729) 9.065 23.946 ( -24.404 24.404 18.043) 38.944 ======================= Grid point 36 (26/256) ======================= q-point: (-0.25 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.921 ( 19.596 -19.596 -23.091) 36.072 5.781 ( 37.737 -37.737 24.978) 58.924 11.394 ( 51.612 -51.612 -54.046) 90.821 19.501 ( -2.968 2.968 -0.316) 4.209 19.637 ( 2.095 -2.095 6.615) 7.248 24.661 ( -21.602 21.602 14.569) 33.846 ======================= Grid point 37 (27/256) ======================= q-point: (-0.20 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.154 ( 22.455 -22.455 -26.975) 41.667 5.139 ( 43.667 -43.667 25.676) 66.879 9.527 ( 56.847 -56.847 -55.675) 97.790 19.553 ( -1.845 1.845 -0.384) 2.637 19.647 ( 2.317 -2.317 4.076) 5.230 25.260 ( -18.050 18.050 10.872) 27.746 ======================= Grid point 38 (28/256) ======================= q-point: (-0.15 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 25.664 -25.664 -27.791) 45.712 4.378 ( 49.164 -49.164 26.925) 74.560 7.533 ( 62.118 -62.118 -54.939) 103.613 19.576 ( -0.596 0.596 -0.400) 0.933 19.628 ( 2.232 -2.232 1.791) 3.630 25.732 ( -14.201 14.201 7.246) 21.351 ======================= Grid point 39 (29/256) ======================= q-point: (-0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 29.311 -29.311 -22.288) 47.065 3.514 ( 53.226 -53.226 26.590) 79.831 5.456 ( 67.883 -67.883 -46.949) 106.867 19.574 ( 0.345 -0.345 -0.282) 0.564 19.592 ( 1.789 -1.789 0.320) 2.550 26.074 ( -10.349 10.349 3.702) 15.097 ======================= Grid point 40 (30/256) ======================= q-point: (-0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 32.392 -32.392 -0.000) 45.809 2.494 ( 53.900 -53.900 -0.000) 76.226 3.484 ( 74.327 -74.327 -0.000) 105.115 19.559 ( 0.716 -0.716 -0.000) 1.012 19.560 ( 1.089 -1.089 -0.000) 1.540 26.290 ( -6.674 6.674 0.000) 9.439 ======================= Grid point 43 (31/256) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 641 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( -0.000 0.000 68.473) 68.473 3.282 ( -0.000 0.000 68.473) 68.473 4.251 ( -0.000 0.000 92.268) 92.268 19.573 ( -0.000 0.000 1.434) 1.434 19.573 ( -0.000 0.000 1.434) 1.434 26.181 ( 0.000 -0.000 -11.331) 11.331 ======================= Grid point 44 (32/256) ======================= q-point: ( 0.15 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.883 ( 9.351 -9.351 69.427) 70.675 4.088 ( -3.394 3.394 64.180) 64.359 5.828 ( -40.031 40.031 81.253) 99.031 19.595 ( -0.327 0.327 1.548) 1.616 19.597 ( -0.449 0.449 1.574) 1.697 25.980 ( 4.760 -4.760 -14.425) 15.919 ======================= Grid point 45 (33/256) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.512 ( 3.938 -3.938 66.581) 66.814 4.875 ( -3.930 3.930 58.012) 58.278 7.723 ( -48.655 48.655 69.661) 97.915 19.619 ( -0.232 0.232 1.418) 1.455 19.622 ( 0.040 -0.040 1.626) 1.627 25.637 ( 8.987 -8.987 -18.043) 22.070 ======================= Grid point 46 (34/256) ======================= q-point: ( 0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.198 ( 1.164 -1.164 62.658) 62.680 5.578 ( -2.829 2.829 51.255) 51.410 9.601 ( -50.558 50.558 59.741) 93.173 19.627 ( 1.216 -1.216 1.733) 2.442 19.633 ( 0.402 -0.402 1.079) 1.220 25.159 ( 12.773 -12.773 -21.853) 28.352 ======================= Grid point 47 (35/256) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.870 ( 1.187 -1.187 59.102) 59.126 6.168 ( -0.828 0.828 44.429) 44.445 11.382 ( -49.920 49.920 50.733) 86.936 19.606 ( 2.556 -2.556 2.142) 4.202 19.622 ( 1.457 -1.457 0.612) 2.150 24.558 ( 16.212 -16.212 -25.290) 34.135 ======================= Grid point 48 (36/256) ======================= q-point: ( 0.35 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.481 ( 3.177 -3.177 56.126) 56.306 6.628 ( 1.654 -1.654 37.763) 37.835 13.031 ( -47.832 47.832 42.041) 79.645 19.564 ( 3.607 -3.607 3.128) 5.983 19.579 ( 2.612 -2.612 0.105) 3.695 23.849 ( 19.133 -19.133 -27.670) 38.702 ======================= Grid point 49 (37/256) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.953 ( 4.429 -4.429 31.291) 31.912 6.999 ( 6.467 -6.467 53.556) 54.332 14.514 ( -44.146 44.146 32.756) 70.503 19.507 ( 3.444 -3.444 -0.360) 4.883 19.519 ( 4.119 -4.119 4.753) 7.518 23.068 ( 20.878 -20.878 -27.959) 40.663 ======================= Grid point 50 (38/256) ======================= q-point: ( 0.45 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.139 ( 7.432 -7.432 24.920) 27.045 7.404 ( 10.585 -10.585 51.166) 53.311 15.762 ( -37.209 37.209 20.885) 56.614 19.419 ( 3.574 -3.574 -0.715) 5.105 19.490 ( 4.078 -4.078 6.623) 8.783 22.294 ( 19.608 -19.608 -24.028) 36.692 ======================= Grid point 51 (39/256) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.182 ( 10.613 -10.613 18.507) 23.828 7.681 ( 15.182 -15.182 48.847) 53.357 16.608 ( -22.675 22.675 2.528) 32.167 19.335 ( 2.823 -2.823 -0.913) 4.095 19.487 ( 3.484 -3.484 8.186) 9.554 21.709 ( 11.137 -11.137 -12.154) 19.895 ======================= Grid point 52 (40/256) ======================= q-point: (-0.45 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.076 ( 13.865 -13.865 11.967) 22.971 7.825 ( 20.006 -20.006 46.653) 54.561 16.751 ( 1.334 -1.334 -22.068) 22.148 19.276 ( 1.303 -1.303 -0.935) 2.066 19.526 ( 2.256 -2.256 10.413) 10.891 21.604 ( -5.990 5.990 5.467) 10.082 ======================= Grid point 53 (41/256) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.822 ( 17.028 -17.028 5.357) 24.670 7.833 ( 24.919 -24.919 44.727) 56.942 16.104 ( 21.778 -21.778 -39.662) 50.215 19.258 ( -0.591 0.591 -0.808) 1.163 19.613 ( 2.075 -2.075 12.667) 13.003 22.048 ( -20.062 20.062 15.374) 32.269 ======================= Grid point 54 (42/256) ======================= q-point: (-0.35 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.423 ( 19.958 -19.958 -1.072) 28.245 7.709 ( 29.893 -29.893 43.151) 60.409 14.954 ( 33.612 -33.612 -47.676) 67.324 19.284 ( -2.317 2.317 -0.603) 3.332 19.706 ( 2.823 -2.823 13.065) 13.661 22.771 ( -25.674 25.674 16.481) 39.874 ======================= Grid point 55 (43/256) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.890 ( 22.600 -22.600 -6.840) 32.685 7.453 ( 34.948 -34.948 41.786) 64.722 13.528 ( 41.303 -41.303 -50.989) 77.535 19.345 ( -3.392 3.392 -0.406) 4.814 19.774 ( 3.630 -3.630 11.562) 12.651 23.548 ( -26.351 26.351 14.028) 39.818 ======================= Grid point 56 (44/256) ======================= q-point: (-0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.241 ( 25.019 -25.019 -11.199) 37.113 7.065 ( 40.019 -40.019 40.119) 69.372 11.923 ( 47.616 -47.616 -51.442) 84.740 19.422 ( -3.569 3.569 -0.275) 5.054 19.801 ( 4.226 -4.226 8.686) 10.543 24.274 ( -24.667 24.667 10.555) 36.447 ======================= Grid point 57 (45/256) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.502 ( 27.330 -27.330 -13.007) 40.780 6.538 ( 44.771 -44.771 36.764) 73.215 10.193 ( 53.730 -53.730 -48.067) 89.913 19.495 ( -2.911 2.911 -0.209) 4.122 19.781 ( 4.409 -4.409 5.217) 8.130 24.906 ( -21.760 21.760 6.969) 31.552 ======================= Grid point 58 (46/256) ======================= q-point: (-0.15 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( 29.522 -29.522 -10.374) 43.020 5.846 ( 48.451 -48.451 27.306) 73.761 8.401 ( 60.223 -60.223 -35.629) 92.321 19.547 ( -1.746 1.746 -0.145) 2.473 19.724 ( 4.033 -4.033 2.042) 6.058 25.423 ( -18.184 18.184 3.496) 25.952 ======================= Grid point 59 (47/256) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 31.002 -31.002 -0.000) 43.843 4.891 ( 50.639 -50.639 -0.000) 71.614 6.717 ( 66.514 -66.514 -0.000) 94.065 19.571 ( -0.525 0.525 0.000) 0.743 19.652 ( 3.091 -3.091 -0.000) 4.372 25.814 ( -14.288 14.288 0.000) 20.207 ======================= Grid point 64 (48/256) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 635 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.782 ( -0.000 0.000 62.574) 62.574 4.782 ( -0.000 0.000 62.574) 62.574 6.342 ( -0.000 0.000 90.720) 90.720 19.610 ( -0.000 0.000 1.707) 1.707 19.610 ( -0.000 0.000 1.707) 1.707 25.857 ( 0.000 -0.000 -17.047) 17.047 ======================= Grid point 65 (49/256) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.402 ( 5.525 -5.525 62.979) 63.462 5.489 ( -1.032 1.032 58.087) 58.106 7.698 ( -26.983 26.983 82.167) 90.596 19.632 ( -0.179 0.179 1.619) 1.639 19.635 ( -0.410 0.410 1.694) 1.790 25.585 ( 5.225 -5.225 -20.089) 21.405 ======================= Grid point 66 (50/256) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.018 ( 4.058 -4.058 63.987) 64.244 6.139 ( -0.450 0.450 52.325) 52.329 9.313 ( -37.035 37.035 69.569) 87.081 19.651 ( 0.045 -0.045 1.301) 1.303 19.661 ( -0.036 0.036 1.814) 1.814 25.163 ( 9.893 -9.893 -23.363) 27.232 ======================= Grid point 67 (51/256) ======================= q-point: ( 0.30 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.665 ( 3.788 -3.788 64.201) 64.424 6.695 ( 1.152 -1.152 46.160) 46.189 10.937 ( -41.124 41.124 57.317) 81.656 19.655 ( 0.756 -0.756 0.822) 1.349 19.675 ( 0.980 -0.980 2.425) 2.793 24.606 ( 13.781 -13.781 -26.474) 32.874 ======================= Grid point 68 (52/256) ======================= q-point: ( 0.35 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.137 ( 3.378 -3.378 40.045) 40.329 7.295 ( 5.459 -5.459 63.949) 64.414 12.483 ( -42.392 42.392 45.698) 75.382 19.632 ( 1.826 -1.826 0.269) 2.596 19.673 ( 2.153 -2.153 3.728) 4.814 23.938 ( 16.848 -16.848 -28.756) 37.344 ======================= Grid point 69 (53/256) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.454 ( 6.022 -6.022 34.143) 35.189 7.863 ( 8.607 -8.607 63.211) 64.373 13.903 ( -41.536 41.536 34.241) 67.993 19.577 ( 2.936 -2.936 -0.274) 4.162 19.666 ( 3.082 -3.082 5.562) 7.066 23.195 ( 18.771 -18.771 -29.185) 39.452 ======================= Grid point 70 (54/256) ======================= q-point: ( 0.45 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.639 ( 9.024 -9.024 28.408) 31.143 8.336 ( 12.698 -12.698 61.854) 64.408 15.137 ( -37.739 37.739 21.622) 57.585 19.495 ( 3.673 -3.673 -0.731) 5.245 19.662 ( 3.624 -3.624 7.178) 8.820 22.445 ( 18.394 -18.394 -25.901) 36.709 ======================= Grid point 71 (55/256) ======================= q-point: ( 0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.688 ( 12.367 -12.367 22.696) 28.652 8.690 ( 17.258 -17.258 59.853) 64.638 16.062 ( -28.039 28.039 5.027) 39.971 19.399 ( 3.670 -3.670 -1.038) 5.292 19.663 ( 3.621 -3.621 7.677) 9.228 21.827 ( 12.951 -12.951 -15.940) 24.280 ======================= Grid point 72 (56/256) ======================= q-point: (-0.45 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.591 ( 15.968 -15.968 16.886) 28.197 8.913 ( 21.904 -21.904 57.359) 65.189 16.432 ( -8.810 8.810 -17.481) 21.467 19.311 ( 2.770 -2.770 -1.148) 4.082 19.689 ( 1.877 -1.877 9.059) 9.440 21.570 ( 0.271 -0.271 -0.366) 0.530 ======================= Grid point 74 (57/256) ======================= q-point: (-0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.343 ( 19.626 -19.626 10.999) 29.856 9.000 ( 26.397 -26.397 54.587) 66.131 16.058 ( 12.692 -12.692 -37.027) 41.148 19.253 ( 1.124 -1.124 -1.058) 1.910 19.792 ( 0.405 -0.405 12.324) 12.338 21.799 ( -14.140 14.140 10.121) 22.412 ======================= Grid point 75 (58/256) ======================= q-point: (-0.35 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.947 ( 23.058 -23.058 5.282) 33.035 8.954 ( 30.671 -30.671 51.542) 67.365 15.108 ( 26.874 -26.874 -46.190) 59.816 19.239 ( -0.830 0.830 -0.817) 1.430 19.918 ( 1.839 -1.839 13.277) 13.529 22.371 ( -23.187 23.187 12.110) 34.955 ======================= Grid point 76 (59/256) ======================= q-point: (-0.30 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.417 ( 25.997 -25.997 0.267) 36.767 8.774 ( 34.776 -34.776 47.641) 68.472 13.841 ( 35.868 -35.868 -48.077) 69.888 19.270 ( -2.533 2.533 -0.525) 3.620 19.998 ( 3.749 -3.749 11.508) 12.671 23.076 ( -26.583 26.583 9.993) 38.900 ======================= Grid point 77 (60/256) ======================= q-point: (-0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.777 ( 28.280 -28.280 -3.192) 40.122 8.445 ( 38.706 -38.706 41.054) 68.423 12.407 ( 42.917 -42.917 -43.963) 74.943 19.337 ( -3.522 3.522 -0.276) 4.988 20.008 ( 5.074 -5.074 7.942) 10.704 23.784 ( -26.616 26.616 6.720) 38.235 ======================= Grid point 78 (61/256) ======================= q-point: (-0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.068 ( 29.828 -29.828 -3.853) 42.359 7.920 ( 42.234 -42.234 27.241) 65.647 10.915 ( 49.561 -49.561 -30.202) 76.320 19.418 ( -3.603 3.603 -0.112) 5.097 19.951 ( 5.605 -5.605 3.702) 8.748 24.431 ( -24.787 24.787 3.335) 35.212 ======================= Grid point 79 (62/256) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.350 ( 30.460 -30.460 -0.000) 43.077 7.088 ( 45.269 -45.269 -0.000) 64.020 9.520 ( 55.901 -55.901 -0.000) 79.056 19.492 ( -2.894 2.894 0.000) 4.092 19.845 ( 5.247 -5.247 -0.000) 7.420 24.984 ( -21.838 21.838 0.000) 30.883 ======================= Grid point 86 (63/256) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 641 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.128 ( -0.000 0.000 55.048) 55.048 6.128 ( -0.000 0.000 55.048) 55.048 8.389 ( -0.000 0.000 88.345) 88.345 19.648 ( -0.000 0.000 1.594) 1.594 19.648 ( -0.000 0.000 1.594) 1.594 25.402 ( 0.000 -0.000 -22.772) 22.772 ======================= Grid point 87 (64/256) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.729 ( 0.351 -0.351 50.323) 50.325 6.741 ( -0.330 0.330 53.964) 53.966 9.571 ( -15.891 15.891 81.576) 84.615 19.666 ( -0.029 0.029 1.339) 1.340 19.672 ( -0.510 0.510 1.508) 1.672 25.062 ( 5.489 -5.489 -25.665) 26.813 ======================= Grid point 88 (65/256) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.252 ( 1.648 -1.648 44.879) 44.939 7.392 ( -1.712 1.712 55.621) 55.674 10.901 ( -24.044 24.044 69.454) 77.331 19.677 ( 0.309 -0.309 0.911) 1.010 19.703 ( -0.516 0.516 1.844) 1.983 24.571 ( 10.288 -10.288 -28.388) 31.900 ======================= Grid point 89 (66/256) ======================= q-point: ( 0.35 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.674 ( 3.573 -3.573 39.307) 39.630 8.073 ( -0.646 0.646 58.027) 58.034 12.226 ( -28.878 28.878 55.704) 69.071 19.669 ( 1.084 -1.084 0.388) 1.581 19.737 ( -0.004 0.004 2.910) 2.910 23.955 ( 13.983 -13.983 -30.415) 36.279 ======================= Grid point 90 (67/256) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.984 ( 5.952 -5.952 33.882) 34.912 8.728 ( 2.861 -2.861 60.265) 60.401 13.476 ( -31.625 31.625 41.477) 60.997 19.633 ( 2.165 -2.165 -0.145) 3.066 19.770 ( 0.799 -0.799 4.504) 4.644 23.254 ( 16.267 -16.267 -30.825) 38.462 ======================= Grid point 91 (68/256) ======================= q-point: ( 0.45 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.174 ( 8.743 -8.743 28.632) 31.187 9.303 ( 7.972 -7.972 61.576) 62.600 14.597 ( -31.819 31.819 26.691) 52.319 19.567 ( 3.239 -3.239 -0.615) 4.622 19.800 ( 1.764 -1.764 5.616) 6.145 22.536 ( 16.371 -16.371 -27.883) 36.242 ======================= Grid point 92 (69/256) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.235 ( 11.972 -11.972 23.440) 28.915 9.760 ( 13.787 -13.787 61.499) 64.516 15.496 ( -27.311 27.311 9.815) 39.852 19.475 ( 3.893 -3.893 -0.955) 5.588 19.810 ( 2.672 -2.672 4.876) 6.169 21.922 ( 12.556 -12.556 -18.925) 25.951 ======================= Grid point 93 (70/256) ======================= q-point: ( 0.55 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.159 ( 15.623 -15.623 18.187) 28.617 10.073 ( 19.552 -19.552 59.945) 66.015 15.988 ( -14.539 14.539 -11.231) 23.429 19.374 ( 3.772 -3.772 -1.114) 5.449 19.806 ( 1.427 -1.427 4.474) 4.908 21.592 ( 3.735 -3.735 -4.782) 7.125 ======================= Grid point 94 (71/256) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.935 ( 19.544 -19.544 12.871) 30.489 10.235 ( 24.767 -24.767 56.954) 66.862 15.855 ( 4.429 -4.429 -31.629) 32.243 19.285 ( 2.742 -2.742 -1.064) 4.021 19.889 ( -2.386 2.386 8.218) 8.884 21.643 ( -7.334 7.334 5.345) 11.668 ======================= Grid point 95 (72/256) ======================= q-point: (-0.35 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.561 ( 23.405 -23.405 7.713) 33.986 10.242 ( 29.235 -29.235 52.129) 66.535 15.136 ( 19.797 -19.797 -41.686) 50.215 19.231 ( 0.996 -0.996 -0.833) 1.636 20.059 ( -1.988 1.988 10.343) 10.719 22.013 ( -17.592 17.592 7.848) 26.088 ======================= Grid point 96 (73/256) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.048 ( 26.764 -26.764 3.229) 37.987 10.082 ( 32.999 -32.999 43.742) 63.963 14.082 ( 29.873 -29.873 -40.511) 58.531 19.223 ( -0.992 0.992 -0.510) 1.492 20.179 ( 1.370 -1.370 8.652) 8.867 22.582 ( -24.248 24.248 6.186) 34.845 ======================= Grid point 97 (74/256) ======================= q-point: (-0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.425 ( 29.182 -29.182 0.266) 41.270 9.708 ( 36.194 -36.194 27.600) 58.153 12.909 ( 37.471 -37.471 -27.388) 59.651 19.262 ( -2.655 2.655 -0.206) 3.760 20.191 ( 4.148 -4.148 4.640) 7.480 23.226 ( -26.840 26.840 3.215) 38.093 ======================= Grid point 98 (75/256) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.741 ( 30.309 -30.309 -0.000) 42.863 9.015 ( 39.103 -39.103 -0.000) 55.300 11.807 ( 44.092 -44.092 -0.000) 62.356 19.333 ( -3.571 3.571 0.000) 5.050 20.103 ( 5.558 -5.558 -0.000) 7.861 23.860 ( -26.672 26.672 0.000) 37.720 ======================= Grid point 107 (76/256) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 635 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.289 ( -0.000 0.000 46.439) 46.439 7.289 ( -0.000 0.000 46.439) 46.439 10.371 ( -0.000 0.000 84.959) 84.959 19.680 ( -0.000 0.000 1.170) 1.170 19.680 ( -0.000 0.000 1.170) 1.170 24.817 ( 0.000 -0.000 -28.406) 28.406 ======================= Grid point 108 (77/256) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.781 ( 1.136 -1.136 41.611) 41.642 7.861 ( -5.361 5.361 44.017) 44.665 11.412 ( -7.530 7.530 79.289) 80.001 19.691 ( 0.103 -0.103 0.833) 0.845 19.702 ( -0.836 0.836 1.114) 1.624 24.414 ( 5.453 -5.453 -31.008) 31.952 ======================= Grid point 109 (78/256) ======================= q-point: ( 0.35 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.183 ( 2.802 -2.802 36.488) 36.702 8.538 ( -9.304 9.304 44.425) 46.332 12.481 ( -11.533 11.533 68.654) 70.565 19.692 ( 0.536 -0.536 0.397) 0.855 19.744 ( -1.417 1.417 1.677) 2.613 23.870 ( 9.973 -9.973 -32.910) 35.805 ======================= Grid point 110 (79/256) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.483 ( 4.870 -4.870 31.421) 32.167 9.276 ( -9.200 9.200 46.663) 48.443 13.489 ( -14.606 14.606 54.921) 58.677 19.672 ( 1.360 -1.360 -0.059) 1.925 19.803 ( -1.428 1.428 2.728) 3.395 23.224 ( 12.945 -12.945 -33.279) 37.981 ======================= Grid point 111 (80/256) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.675 ( 7.335 -7.335 26.498) 28.456 9.997 ( -5.044 5.044 49.774) 50.283 14.390 ( -17.091 17.091 38.804) 45.715 19.626 ( 2.449 -2.449 -0.467) 3.495 19.863 ( -0.629 0.629 3.175) 3.297 22.548 ( 13.597 -13.597 -30.481) 36.039 ======================= Grid point 112 (81/256) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.750 ( 10.256 -10.256 21.638) 26.050 10.620 ( 1.995 -1.995 52.509) 52.585 15.130 ( -17.338 17.338 20.173) 31.752 19.551 ( 3.490 -3.490 -0.766) 4.995 19.888 ( 0.998 -0.998 1.258) 1.891 21.957 ( 10.651 -10.651 -21.903) 26.582 ======================= Grid point 113 (82/256) ======================= q-point: ( 0.55 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.697 ( 13.680 -13.680 16.732) 25.579 11.089 ( 10.251 -10.251 53.577) 55.504 15.587 ( -11.898 11.898 -1.595) 16.901 19.453 ( 4.074 -4.074 -0.907) 5.833 19.854 ( 1.125 -1.125 -1.140) 1.958 21.611 ( 4.061 -4.061 -8.264) 10.064 ======================= Grid point 114 (83/256) ======================= q-point: (-0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.504 ( 17.537 -17.537 11.773) 27.453 11.367 ( 18.192 -18.192 51.678) 57.728 15.582 ( 0.499 -0.499 -22.791) 22.802 19.351 ( 3.855 -3.855 -0.862) 5.520 19.875 ( -3.571 3.571 1.927) 5.405 21.570 ( -3.076 3.076 1.575) 4.627 ======================= Grid point 115 (84/256) ======================= q-point: (-0.35 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.164 ( 21.559 -21.559 6.959) 31.273 11.429 ( 24.878 -24.878 44.675) 56.865 15.083 ( 13.663 -13.663 -32.646) 37.935 19.265 ( 2.729 -2.729 -0.642) 3.912 20.048 ( -6.657 6.657 5.244) 10.776 21.761 ( -10.510 10.510 4.191) 15.443 ======================= Grid point 116 (85/256) ======================= q-point: (-0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.683 ( 25.258 -25.258 2.770) 35.827 11.228 ( 29.936 -29.936 28.267) 50.905 14.308 ( 23.421 -23.421 -24.808) 41.383 19.217 ( 0.928 -0.928 -0.316) 1.349 20.231 ( -3.581 3.581 4.094) 6.512 22.137 ( -18.612 18.612 2.783) 26.468 ======================= Grid point 117 (86/256) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.086 ( 28.007 -28.007 -0.000) 39.608 10.672 ( 33.443 -33.443 -0.000) 47.296 13.530 ( 31.018 -31.018 -0.000) 43.865 19.217 ( -1.049 1.049 0.000) 1.484 20.282 ( 1.143 -1.143 -0.000) 1.616 22.652 ( -24.469 24.469 0.000) 34.605 ======================= Grid point 128 (87/256) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 641 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.246 ( -0.000 0.000 37.243) 37.243 8.246 ( -0.000 0.000 37.243) 37.243 12.261 ( -0.000 0.000 80.301) 80.301 19.700 ( -0.000 0.000 0.608) 0.608 19.700 ( -0.000 0.000 0.608) 0.608 24.107 ( 0.000 -0.000 -33.699) 33.699 ======================= Grid point 129 (88/256) ======================= q-point: ( 0.35 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.627 ( 1.513 -1.513 32.441) 32.511 8.751 ( -8.882 8.882 33.892) 36.145 13.178 ( -1.683 1.683 74.985) 75.023 19.704 ( 0.210 -0.210 0.292) 0.417 19.722 ( -1.364 1.364 0.629) 2.029 23.650 ( 5.038 -5.038 -35.729) 36.433 ======================= Grid point 130 (89/256) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.915 ( 3.307 -3.307 27.607) 28.000 9.417 ( -15.760 15.760 32.553) 39.451 14.021 ( -1.357 1.357 65.601) 65.629 19.695 ( 0.714 -0.714 -0.048) 1.011 19.777 ( -2.462 2.462 1.103) 3.653 23.077 ( 8.732 -8.732 -36.208) 38.256 ======================= Grid point 131 (90/256) ======================= q-point: ( 0.45 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.105 ( 5.417 -5.417 22.880) 24.128 10.186 ( -18.186 18.186 32.826) 41.702 14.724 ( -0.828 0.828 52.678) 52.691 19.667 ( 1.574 -1.574 -0.349) 2.253 19.849 ( -2.442 2.442 0.954) 3.584 22.454 ( 10.080 -10.080 -33.504) 36.410 ======================= Grid point 132 (91/256) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.188 ( 7.946 -7.946 18.210) 21.398 10.964 ( -15.538 15.538 34.307) 40.741 15.247 ( -0.268 0.268 35.683) 35.685 19.614 ( 2.662 -2.662 -0.559) 3.806 19.887 ( -0.704 0.704 -1.810) 2.066 21.901 ( 7.809 -7.809 -24.921) 27.258 ======================= Grid point 133 (92/256) ======================= q-point: ( 0.55 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.154 ( 10.985 -10.985 13.494) 20.577 11.645 ( -8.272 8.272 35.984) 37.838 15.522 ( 1.782 -1.782 14.034) 14.259 19.534 ( 3.670 -3.670 -0.635) 5.228 19.835 ( 0.773 -0.773 -5.532) 5.639 21.575 ( 2.370 -2.370 -11.164) 11.656 ======================= Grid point 134 (93/256) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.990 ( 14.530 -14.530 8.721) 22.323 12.130 ( 2.246 -2.246 35.184) 35.327 15.460 ( 6.722 -6.722 -7.910) 12.367 19.436 ( 4.192 -4.192 -0.555) 5.955 19.791 ( -2.662 2.662 -3.239) 4.966 21.514 ( -2.286 2.286 -1.352) 3.504 ======================= Grid point 136 (94/256) ======================= q-point: (-0.35 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.687 ( 18.409 -18.409 4.076) 26.351 12.304 ( 13.971 -13.971 25.490) 32.251 15.081 ( 12.484 -12.484 -16.085) 23.884 19.337 ( 3.901 -3.901 -0.325) 5.527 19.904 ( -7.923 7.923 0.656) 11.224 21.612 ( -5.865 5.865 1.313) 8.398 ======================= Grid point 137 (95/256) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.245 ( 22.206 -22.206 -0.000) 31.404 12.023 ( 24.041 -24.041 -0.000) 33.999 14.626 ( 17.464 -17.464 -0.000) 24.697 19.258 ( 2.725 -2.725 -0.000) 3.853 20.110 ( -8.356 8.356 0.000) 11.817 21.811 ( -11.247 11.247 0.000) 15.906 ======================= Grid point 150 (96/256) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 635 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.989 ( -0.000 0.000 27.840) 27.840 8.989 ( -0.000 0.000 27.840) 27.840 14.026 ( -0.000 0.000 73.814) 73.814 19.708 ( -0.000 0.000 0.112) 0.112 19.708 ( -0.000 0.000 0.112) 0.112 23.285 ( 0.000 -0.000 -38.021) 38.021 ======================= Grid point 151 (97/256) ======================= q-point: ( 0.40 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.262 ( 1.625 -1.625 23.127) 23.241 9.411 ( -11.075 11.075 23.920) 28.592 14.817 ( 2.310 -2.310 67.841) 67.920 19.706 ( 0.291 -0.291 -0.093) 0.422 19.731 ( -1.858 1.858 0.112) 2.631 22.795 ( 4.120 -4.120 -38.718) 39.154 ======================= Grid point 152 (98/256) ======================= q-point: ( 0.45 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.442 ( 3.423 -3.423 18.489) 19.113 10.029 ( -20.010 20.010 21.125) 35.314 15.445 ( 6.045 -6.045 58.067) 58.693 19.691 ( 0.844 -0.844 -0.270) 1.224 19.788 ( -2.867 2.867 -0.364) 4.071 22.241 ( 6.115 -6.115 -36.021) 37.045 ======================= Grid point 153 (99/256) ======================= q-point: ( 0.50 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.526 ( 5.549 -5.549 13.905) 15.967 10.777 ( -24.642 24.642 19.042) 39.712 15.848 ( 10.175 -10.175 44.051) 46.342 19.659 ( 1.720 -1.720 -0.375) 2.461 19.826 ( -1.661 1.661 -3.377) 4.114 21.744 ( 4.536 -4.536 -27.006) 27.757 ======================= Grid point 154 (100/256) ======================= q-point: ( 0.55 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.503 ( 8.145 -8.145 9.278) 14.791 11.550 ( -24.067 24.067 17.017) 38.053 15.964 ( 14.638 -14.638 25.062) 32.506 19.603 ( 2.795 -2.795 -0.374) 3.970 19.774 ( 0.464 -0.464 -7.069) 7.099 21.464 ( -0.039 0.039 -12.610) 12.610 ======================= Grid point 155 (101/256) ======================= q-point: ( 0.60 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.361 ( 11.258 -11.258 4.588) 16.569 12.214 ( -17.622 17.622 12.894) 28.059 15.753 ( 18.351 -18.351 5.514) 26.532 19.524 ( 3.763 -3.763 -0.247) 5.327 19.701 ( -1.003 1.003 -4.271) 4.500 21.427 ( -3.211 3.211 -2.661) 5.263 ======================= Grid point 156 (102/256) ======================= q-point: (-0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.090 ( 14.783 -14.783 -0.000) 20.906 12.562 ( -3.970 3.970 0.000) 5.615 15.341 ( 17.429 -17.429 -0.000) 24.648 19.429 ( 4.233 -4.233 -0.000) 5.987 19.748 ( -5.104 5.104 0.000) 7.218 21.505 ( -4.279 4.279 0.000) 6.051 ======================= Grid point 171 (103/256) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 641 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.518 ( -0.000 0.000 18.458) 18.458 9.518 ( -0.000 0.000 18.458) 18.458 15.607 ( -0.000 0.000 63.785) 63.785 19.707 ( 0.000 -0.000 -0.161) 0.161 19.707 ( 0.000 -0.000 -0.161) 0.161 22.391 ( 0.000 -0.000 -39.507) 39.507 ======================= Grid point 172 (104/256) ======================= q-point: ( 0.45 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.684 ( 1.606 -1.606 13.833) 14.018 9.846 ( -12.295 12.295 14.206) 22.452 16.234 ( 5.070 -5.070 54.738) 55.206 19.701 ( 0.347 -0.347 -0.216) 0.536 19.726 ( -1.750 1.750 -0.537) 2.533 21.920 ( 2.374 -2.374 -36.378) 36.532 ======================= Grid point 173 (105/256) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.759 ( 3.381 -3.381 9.265) 10.426 10.387 ( -22.254 22.254 10.356) 33.132 16.598 ( 11.161 -11.161 40.167) 43.156 19.685 ( 0.925 -0.925 -0.225) 1.327 19.751 ( -1.424 1.424 -2.905) 3.534 21.505 ( 1.470 -1.470 -25.984) 26.067 ======================= Grid point 174 (106/256) ======================= q-point: ( 0.55 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.738 ( 5.538 -5.538 4.666) 9.116 11.064 ( -27.755 27.755 6.196) 39.738 16.618 ( 17.313 -17.313 19.753) 31.459 19.652 ( 1.795 -1.795 -0.158) 2.544 19.713 ( 0.455 -0.455 -4.671) 4.715 21.303 ( -1.987 1.987 -10.212) 10.592 ======================= Grid point 175 (107/256) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.609 ( 8.182 -8.182 -0.000) 11.571 11.744 ( -27.212 27.212 0.000) 38.483 16.275 ( 21.299 -21.299 -0.000) 30.121 19.598 ( 2.840 -2.840 -0.000) 4.016 19.667 ( 0.455 -0.455 -0.000) 0.643 21.324 ( -3.751 3.751 0.000) 5.304 ======================= Grid point 194 (108/256) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 635 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.833 ( -0.000 0.000 9.186) 9.186 9.833 ( -0.000 0.000 9.186) 9.186 16.868 ( -0.000 0.000 43.877) 43.877 19.703 ( 0.000 -0.000 -0.168) 0.168 19.703 ( 0.000 -0.000 -0.168) 0.168 21.548 ( 0.000 -0.000 -31.611) 31.611 ======================= Grid point 195 (109/256) ======================= q-point: ( 0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.894 ( 1.564 -1.564 4.601) 5.105 10.061 ( -12.828 12.828 4.707) 18.743 17.192 ( 6.808 -6.808 24.803) 26.606 19.697 ( 0.376 -0.376 -0.103) 0.542 19.707 ( -0.420 0.420 -0.895) 1.074 21.254 ( -0.330 0.330 -17.922) 17.928 ======================= Grid point 196 (110/256) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.865 ( 3.347 -3.347 -0.000) 4.734 10.505 ( -22.939 22.939 0.000) 32.440 17.101 ( 13.449 -13.449 -0.000) 19.019 19.682 ( 0.953 -0.953 -0.000) 1.347 19.697 ( 0.377 -0.377 -0.000) 0.534 21.184 ( -2.119 2.119 0.000) 2.997 ======================= Grid point 218 (111/256) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.938 ( -0.000 0.000 0.000) 0.000 9.938 ( -0.000 0.000 0.000) 0.000 17.419 ( 0.000 -0.000 -0.000) 0.000 19.701 ( -0.000 0.000 0.000) 0.000 19.701 ( -0.000 0.000 0.000) 0.000 21.137 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 458 (112/256) ======================= q-point: ( 0.15 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -0.000 -16.298 67.360) 69.303 3.815 ( -0.000 40.595 59.749) 72.235 5.238 ( -0.000 61.241 78.087) 99.238 19.576 ( -0.000 0.089 0.832) 0.837 19.594 ( -0.000 1.811 1.887) 2.616 26.078 ( 0.000 -8.523 -11.966) 14.692 ======================= Grid point 459 (113/256) ======================= q-point: ( 0.20 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( -13.848 -8.130 59.985) 62.097 4.784 ( 25.234 42.639 56.320) 75.012 7.031 ( -38.425 58.766 69.437) 98.749 19.580 ( -0.462 -1.109 0.285) 1.235 19.642 ( 1.072 2.930 2.506) 4.002 25.777 ( 3.937 -12.545 -15.704) 20.482 ======================= Grid point 460 (114/256) ======================= q-point: ( 0.25 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.231 ( -18.461 -3.967 52.990) 56.254 5.550 ( 31.137 40.266 52.089) 72.829 8.940 ( -49.462 55.324 60.730) 95.892 19.564 ( -0.732 -2.947 -0.357) 3.058 19.686 ( 3.419 3.659 2.805) 5.740 25.344 ( 7.597 -16.295 -19.627) 26.617 ======================= Grid point 461 (115/256) ======================= q-point: ( 0.30 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.980 ( -17.908 -2.360 47.298) 50.630 6.187 ( 32.667 35.931 46.911) 67.519 10.784 ( -52.042 51.646 52.938) 90.433 19.522 ( -0.828 -4.850 -0.809) 4.986 19.706 ( 6.377 3.875 2.769) 7.959 24.785 ( 11.211 -19.707 -23.286) 32.500 ======================= Grid point 462 (116/256) ======================= q-point: ( 0.35 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.653 ( -14.440 -2.218 42.470) 44.912 6.696 ( 33.445 30.771 41.705) 61.682 12.506 ( -51.442 47.619 45.498) 83.570 19.458 ( -0.854 -6.214 -0.775) 6.320 19.690 ( 9.203 3.603 2.550) 10.207 24.111 ( 14.741 -22.528 -26.150) 37.532 ======================= Grid point 463 (117/256) ======================= q-point: ( 0.40 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.220 ( -9.223 -2.807 37.780) 38.991 7.079 ( 34.206 25.106 37.101) 56.364 14.075 ( -48.883 42.783 37.681) 75.098 19.388 ( -0.896 -6.605 -0.124) 6.667 19.639 ( 11.174 2.997 2.386) 11.812 23.348 ( 17.729 -24.182 -27.439) 40.645 ======================= Grid point 464 (118/256) ======================= q-point: ( 0.45 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.655 ( -2.760 -3.369 32.293) 32.585 7.337 ( 34.953 18.658 33.735) 52.038 15.437 ( -43.708 35.750 27.946) 63.004 19.330 ( -0.908 -5.800 0.881) 5.937 19.564 ( 11.667 2.184 2.583) 12.148 22.555 ( 18.845 -23.254 -25.589) 39.379 ======================= Grid point 465 (119/256) ======================= q-point: ( 0.50 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.935 ( 5.153 -2.724 24.820) 25.495 7.481 ( 35.066 10.503 32.515) 48.961 16.464 ( -32.644 22.893 12.795) 41.874 19.298 ( -0.577 -3.624 1.403) 3.929 19.491 ( 10.170 1.126 3.659) 10.866 21.869 ( 14.564 -16.340 -17.203) 27.840 ======================= Grid point 466 (120/256) ======================= q-point: (-0.45 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.034 ( 14.961 0.000 14.961) 21.158 7.525 ( 33.733 -0.000 33.733) 47.705 16.879 ( -10.956 0.000 -10.956) 15.494 19.290 ( 0.547 0.000 0.547) 0.774 19.457 ( 6.637 0.000 6.637) 9.386 21.571 ( -0.035 0.000 -0.035) 0.049 ======================= Grid point 480 (121/256) ======================= q-point: ( 0.20 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.348 ( -0.000 -24.766 68.028) 72.396 5.166 ( -0.000 31.092 57.728) 65.568 7.030 ( -0.000 47.843 78.616) 92.030 19.597 ( 0.000 -1.150 1.003) 1.526 19.642 ( -0.000 2.757 2.206) 3.531 25.741 ( 0.000 -9.813 -17.514) 20.076 ======================= Grid point 481 (122/256) ======================= q-point: ( 0.25 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.915 ( -9.761 -20.152 64.832) 68.590 6.044 ( 21.446 34.729 53.423) 67.231 8.614 ( -29.518 47.819 69.060) 89.035 19.589 ( -0.926 -2.853 0.475) 3.037 19.702 ( 1.737 4.252 2.583) 5.270 25.358 ( 4.426 -14.278 -20.953) 25.739 ======================= Grid point 482 (123/256) ======================= q-point: ( 0.30 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.557 ( -13.159 -17.028 60.589) 64.298 6.722 ( 30.645 33.355 50.118) 67.554 10.300 ( -41.803 46.718 58.278) 85.594 19.562 ( -1.574 -4.986 0.246) 5.234 19.751 ( 4.635 5.113 2.737) 7.424 24.840 ( 8.362 -17.976 -24.371) 31.417 ======================= Grid point 483 (124/256) ======================= q-point: ( 0.35 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.186 ( -12.107 -15.261 55.643) 58.954 7.262 ( 34.622 29.348 47.256) 65.522 11.938 ( -46.159 44.962 48.059) 80.386 19.518 ( -1.903 -6.886 0.511) 7.162 19.770 ( 7.865 5.194 2.798) 9.831 24.206 ( 11.922 -20.845 -27.181) 36.269 ======================= Grid point 484 (125/256) ======================= q-point: ( 0.40 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.737 ( -7.820 -13.877 49.349) 51.856 7.687 ( 36.334 23.392 45.740) 62.924 13.463 ( -46.684 42.285 38.109) 73.618 19.464 ( -1.918 -7.911 1.206) 8.229 19.753 ( 10.493 4.487 3.000) 11.800 23.482 ( 14.972 -22.600 -28.568) 39.384 ======================= Grid point 485 (126/256) ======================= q-point: ( 0.45 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.159 ( -0.639 -11.646 40.944) 42.573 8.017 ( 36.259 15.136 46.268) 60.700 14.820 ( -44.147 37.752 27.316) 64.190 19.412 ( -1.442 -7.560 1.808) 7.906 19.706 ( 11.554 2.981 3.639) 12.475 22.718 ( 16.719 -22.326 -27.137) 38.915 ======================= Grid point 486 (127/256) ======================= q-point: ( 0.50 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.410 ( 8.862 -8.258 30.951) 33.237 8.265 ( 34.721 4.781 48.119) 59.531 15.911 ( -36.788 28.821 13.223) 48.568 19.365 ( -0.079 -5.518 1.489) 5.716 19.650 ( 10.149 0.719 4.884) 11.286 22.021 ( 14.843 -17.706 -20.231) 30.710 ======================= Grid point 487 (128/256) ======================= q-point: ( 0.55 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.474 ( 18.695 -5.305 21.318) 28.846 8.428 ( 33.341 -5.672 49.274) 59.763 16.524 ( -20.286 11.035 -7.589) 24.308 19.321 ( 1.766 -2.211 0.292) 2.845 19.618 ( 6.291 -0.793 7.153) 9.559 21.603 ( 5.167 -5.580 -5.733) 9.524 ======================= Grid point 488 (129/256) ======================= q-point: (-0.40 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.353 ( 27.155 -4.037 13.019) 30.385 8.493 ( 33.432 -14.562 48.904) 61.003 16.394 ( 3.011 -12.173 -30.131) 32.636 19.287 ( 2.480 1.077 -0.605) 2.771 19.665 ( 2.731 -0.615 10.949) 11.301 21.687 ( -10.754 10.488 8.772) 17.396 ======================= Grid point 489 (130/256) ======================= q-point: (-0.35 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.064 ( 33.997 -4.094 5.845) 34.738 8.446 ( 34.942 -21.853 47.533) 62.911 15.583 ( 20.843 -28.048 -43.113) 55.496 19.280 ( 1.730 3.615 -0.908) 4.109 19.765 ( 2.295 -1.957 13.099) 13.441 22.211 ( -22.451 21.099 14.258) 33.949 ======================= Grid point 490 (131/256) ======================= q-point: (-0.30 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.623 ( 39.557 -4.615 -0.333) 39.827 8.280 ( 37.419 -28.073 45.589) 65.319 14.374 ( 32.410 -36.707 -48.099) 68.639 19.309 ( 0.296 5.227 -0.872) 5.308 19.851 ( 2.979 -3.829 12.617) 13.517 22.931 ( -27.106 25.044 13.546) 39.312 ======================= Grid point 491 (132/256) ======================= q-point: (-0.25 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.057 ( 44.247 -4.893 -5.150) 44.814 7.989 ( 40.515 -33.623 42.769) 67.832 12.943 ( 41.396 -42.254 -48.520) 76.506 19.369 ( -0.980 5.785 -0.712) 5.911 19.892 ( 3.654 -5.219 10.138) 11.974 23.674 ( -27.513 25.247 10.626) 38.824 ======================= Grid point 492 (133/256) ======================= q-point: (-0.20 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.396 ( 48.509 -4.408 -7.745) 49.321 7.556 ( 43.872 -38.538 37.554) 69.428 11.378 ( 49.815 -46.750 -44.247) 81.393 19.441 ( -1.597 5.293 -0.527) 5.554 19.879 ( 4.072 -5.890 6.531) 9.692 24.361 ( -25.718 23.527 7.161) 35.584 ======================= Grid point 493 (134/256) ======================= q-point: (-0.15 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.689 ( 52.738 -2.623 -6.708) 53.227 6.944 ( 47.026 -42.313 25.716) 68.287 9.759 ( 58.452 -51.131 -30.961) 83.604 19.508 ( -1.447 4.013 -0.310) 4.277 19.818 ( 4.065 -5.713 2.807) 7.553 24.954 ( -22.762 20.652 3.634) 30.949 ======================= Grid point 494 (135/256) ======================= q-point: (-0.10 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 56.966 1.299 -0.000) 56.981 6.056 ( 50.411 -43.972 -0.000) 66.894 8.238 ( 66.296 -55.666 -0.000) 86.567 19.556 ( -0.711 2.434 0.000) 2.536 19.729 ( 3.531 -4.665 -0.000) 5.851 25.430 ( -19.269 16.933 0.000) 25.652 ======================= Grid point 501 (136/256) ======================= q-point: ( 0.25 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.834 ( -0.000 -20.662 61.438) 64.819 6.424 ( -0.000 24.634 51.990) 57.530 8.824 ( -0.000 33.446 78.407) 85.243 19.621 ( 0.000 -2.333 1.091) 2.576 19.691 ( -0.000 3.666 2.016) 4.183 25.278 ( 0.000 -10.627 -23.022) 25.356 ======================= Grid point 502 (137/256) ======================= q-point: ( 0.30 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.351 ( -7.542 -18.962 59.818) 63.203 7.205 ( 15.681 28.603 47.936) 57.982 10.184 ( -20.479 34.810 68.392) 79.426 19.603 ( -1.373 -4.128 0.816) 4.426 19.756 ( 2.106 5.380 2.131) 6.158 24.821 ( 4.824 -15.241 -25.968) 30.495 ======================= Grid point 503 (138/256) ======================= q-point: ( 0.35 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.907 ( -8.626 -17.056 55.910) 59.087 7.834 ( 24.083 26.853 47.301) 59.485 11.604 ( -31.915 35.599 56.004) 73.636 19.577 ( -2.251 -5.952 1.009) 6.443 19.808 ( 4.929 6.153 2.252) 8.199 24.235 ( 8.926 -18.686 -28.477) 35.210 ======================= Grid point 504 (139/256) ======================= q-point: ( 0.40 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.407 ( -4.154 -14.269 49.054) 51.256 8.363 ( 27.035 20.425 49.614) 60.080 12.980 ( -37.488 35.762 43.281) 67.510 19.543 ( -2.384 -7.180 1.531) 7.719 19.833 ( 7.543 5.699 2.644) 9.817 23.553 ( 12.198 -20.734 -29.795) 38.294 ======================= Grid point 505 (140/256) ======================= q-point: ( 0.45 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.778 ( 3.989 -10.443 40.052) 41.583 8.821 ( 27.028 10.638 53.472) 60.852 14.245 ( -38.988 34.394 30.334) 60.193 19.502 ( -1.445 -7.204 1.803) 7.565 19.828 ( 8.824 3.839 3.422) 10.213 22.824 ( 14.206 -20.808 -28.603) 38.117 ======================= Grid point 506 (141/256) ======================= q-point: ( 0.50 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.987 ( 12.917 -7.284 31.136) 34.487 9.203 ( 26.911 0.130 56.252) 62.358 15.314 ( -35.905 29.571 15.786) 49.120 19.450 ( 0.675 -5.773 1.241) 5.943 19.800 ( 7.989 0.761 4.101) 9.012 22.141 ( 13.519 -17.397 -22.569) 31.540 ======================= Grid point 507 (142/256) ======================= q-point: ( 0.55 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.029 ( 20.988 -5.978 23.347) 31.958 9.485 ( 27.993 -9.250 56.774) 63.973 16.028 ( -25.194 17.639 -3.104) 30.911 19.384 ( 2.926 -3.444 0.157) 4.522 19.766 ( 5.039 -1.368 4.625) 6.975 21.670 ( 7.463 -8.556 -9.921) 15.077 ======================= Grid point 508 (143/256) ======================= q-point: (-0.40 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.905 ( 28.081 -6.293 16.456) 33.150 9.645 ( 29.944 -17.165 55.392) 65.265 16.139 ( -5.603 -2.190 -25.147) 25.857 19.315 ( 3.829 -0.918 -0.585) 3.980 19.796 ( 0.416 0.391 8.018) 8.039 21.589 ( -4.251 4.073 3.439) 6.818 ======================= Grid point 509 (144/256) ======================= q-point: (-0.35 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.621 ( 34.367 -7.486 10.182) 36.617 9.673 ( 32.157 -23.830 52.603) 66.099 15.574 ( 13.487 -19.635 -39.940) 46.504 19.269 ( 3.231 1.488 -0.836) 3.654 19.928 ( -1.064 0.528 11.368) 11.429 21.908 ( -16.590 15.772 9.460) 24.768 ======================= Grid point 510 (145/256) ======================= q-point: (-0.30 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.187 ( 39.835 -8.797 4.640) 41.058 9.565 ( 34.337 -29.538 48.212) 66.150 14.561 ( 26.783 -29.853 -44.472) 59.885 19.260 ( 1.647 3.505 -0.769) 3.948 20.052 ( 0.823 -2.420 11.184) 11.473 22.486 ( -24.455 23.119 9.330) 34.922 ======================= Grid point 511 (146/256) ======================= q-point: (-0.25 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.627 ( 44.396 -9.545 0.383) 45.412 9.306 ( 36.457 -34.508 40.627) 64.579 13.322 ( 36.869 -36.068 -40.888) 65.818 19.293 ( -0.142 4.861 -0.538) 4.893 20.100 ( 2.809 -5.149 8.324) 10.183 23.163 ( -27.409 25.980 6.702) 38.355 ======================= Grid point 512 (147/256) ======================= q-point: (-0.20 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.980 ( 48.042 -9.149 -1.615) 48.932 8.848 ( 38.674 -38.658 25.881) 60.498 12.008 ( 45.844 -40.955 -27.297) 67.261 19.357 ( -1.443 5.342 -0.269) 5.540 20.063 ( 4.058 -6.652 4.138) 8.823 23.834 ( -27.288 25.909 3.424) 37.784 ======================= Grid point 513 (148/256) ======================= q-point: (-0.15 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.307 ( 50.850 -7.050 -0.000) 51.336 8.088 ( 41.793 -41.414 -0.000) 58.837 10.773 ( 53.617 -45.953 -0.000) 70.615 19.435 ( -1.886 4.964 0.000) 5.310 19.959 ( 4.491 -6.818 -0.000) 8.164 24.442 ( -25.479 23.967 0.000) 34.980 ======================= Grid point 522 (149/256) ======================= q-point: ( 0.30 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.133 ( -0.000 -12.393 51.931) 53.390 7.528 ( -0.000 20.146 44.388) 48.746 10.606 ( -0.000 19.526 77.402) 79.827 19.646 ( 0.000 -2.937 1.065) 3.124 19.731 ( -0.000 4.337 1.439) 4.570 24.691 ( 0.000 -10.875 -28.354) 30.368 ======================= Grid point 523 (150/256) ======================= q-point: ( 0.35 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.608 ( -3.415 -11.099 49.557) 50.899 8.226 ( 6.453 23.763 41.379) 48.151 11.739 ( -11.881 20.453 67.689) 71.703 19.626 ( -1.550 -4.375 1.147) 4.782 19.797 ( 1.940 6.047 1.364) 6.495 24.174 ( 4.935 -15.223 -30.608) 34.539 ======================= Grid point 524 (151/256) ======================= q-point: ( 0.40 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.050 ( 0.961 -8.213 43.441) 44.221 8.884 ( 7.987 20.360 44.239) 49.350 12.866 ( -20.164 21.676 54.613) 62.121 19.606 ( -2.081 -5.424 1.512) 6.003 19.852 ( 3.828 6.391 1.565) 7.612 23.545 ( 8.838 -17.980 -31.779) 37.567 ======================= Grid point 525 (152/256) ======================= q-point: ( 0.45 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.374 ( 8.374 -5.092 35.682) 37.003 9.512 ( 9.040 12.152 49.602) 51.863 13.925 ( -25.527 22.934 39.658) 52.444 19.581 ( -1.092 -5.613 1.618) 5.943 19.888 ( 4.822 4.853 2.067) 7.146 22.858 ( 11.257 -18.563 -30.656) 37.565 ======================= Grid point 526 (153/256) ======================= q-point: ( 0.50 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.556 ( 15.345 -3.570 28.515) 32.578 10.069 ( 12.339 2.476 53.830) 55.281 14.854 ( -27.368 22.418 23.133) 42.269 19.536 ( 1.266 -4.850 1.056) 5.122 19.895 ( 4.606 1.522 1.902) 5.210 22.202 ( 11.195 -15.862 -25.032) 31.678 ======================= Grid point 527 (154/256) ======================= q-point: ( 0.55 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.593 ( 21.542 -3.796 22.154) 31.133 10.502 ( 17.202 -7.075 55.640) 58.667 15.538 ( -23.164 16.853 3.900) 28.910 19.465 ( 3.714 -3.625 0.130) 5.192 19.861 ( 3.253 -1.456 0.522) 3.602 21.725 ( 7.107 -8.904 -13.224) 17.454 ======================= Grid point 528 (155/256) ======================= q-point: (-0.40 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.482 ( 27.380 -5.269 16.254) 32.274 10.778 ( 22.215 -15.797 54.809) 61.213 15.781 ( -10.188 3.590 -17.801) 20.822 19.378 ( 4.927 -2.157 -0.489) 5.401 19.845 ( -1.018 0.588 2.375) 2.651 21.559 ( -0.549 0.054 -0.680) 0.876 ======================= Grid point 530 (156/256) ======================= q-point: (-0.35 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.218 ( 33.021 -7.416 10.676) 35.487 10.882 ( 26.424 -23.349 51.019) 62.019 15.444 ( 6.914 -11.930 -33.682) 36.395 19.300 ( 4.793 -0.327 -0.648) 4.848 19.969 ( -5.364 4.001 6.718) 9.483 21.701 ( -9.706 8.931 5.226) 14.187 ======================= Grid point 531 (157/256) ======================= q-point: (-0.30 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.805 ( 38.277 -9.605 5.642) 39.865 10.799 ( 29.501 -29.621 42.778) 59.813 14.665 ( 20.852 -22.550 -36.457) 47.670 19.252 ( 3.496 1.625 -0.557) 3.895 20.150 ( -4.010 1.774 7.367) 8.573 22.083 ( -18.834 17.720 5.432) 26.424 ======================= Grid point 532 (158/256) ======================= q-point: (-0.25 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.263 ( 42.758 -11.117 1.759) 44.215 10.487 ( 31.732 -34.485 26.492) 53.833 13.701 ( 31.507 -29.217 -25.081) 49.754 19.247 ( 1.540 3.424 -0.299) 3.766 20.239 ( -0.221 -2.663 4.446) 5.187 22.629 ( -24.978 23.866 3.115) 34.687 ======================= Grid point 533 (159/256) ======================= q-point: (-0.20 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.632 ( 46.089 -11.203 -0.000) 47.431 9.856 ( 34.303 -37.510 -0.000) 50.830 12.771 ( 39.957 -34.909 -0.000) 53.059 19.286 ( -0.306 4.733 0.000) 4.743 20.200 ( 2.647 -5.662 -0.000) 6.250 23.239 ( -27.389 26.298 0.000) 37.971 ======================= Grid point 544 (160/256) ======================= q-point: ( 0.35 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.198 ( -0.000 -4.162 41.272) 41.481 8.446 ( -0.000 17.081 35.925) 39.779 12.349 ( -0.000 7.838 74.888) 75.297 19.669 ( 0.000 -2.708 0.941) 2.867 19.755 ( -0.000 4.649 0.673) 4.698 23.986 ( 0.000 -10.430 -33.275) 34.871 ======================= Grid point 545 (161/256) ======================= q-point: ( 0.40 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.598 ( 4.177 -1.793 36.989) 37.267 9.090 ( -5.923 20.606 34.084) 40.267 13.269 ( -4.720 6.709 65.921) 66.430 19.654 ( -1.178 -3.453 1.278) 3.865 19.818 ( 1.038 6.043 0.454) 6.149 23.429 ( 4.625 -14.001 -34.453) 37.476 ======================= Grid point 546 (162/256) ======================= q-point: ( 0.45 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.890 ( 10.689 0.289 30.482) 32.303 9.819 ( -9.854 19.076 36.652) 42.478 14.100 ( -8.197 6.225 53.234) 54.220 19.641 ( -0.571 -3.596 1.384) 3.895 19.877 ( 1.288 5.464 0.442) 5.632 22.796 ( 7.698 -15.326 -33.387) 37.534 ======================= Grid point 547 (163/256) ======================= q-point: ( 0.50 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.057 ( 15.984 0.615 24.454) 29.221 10.554 ( -7.847 13.690 40.240) 43.223 14.800 ( -10.858 6.326 36.968) 39.045 19.610 ( 1.601 -3.239 0.900) 3.724 19.912 ( 1.158 2.538 -0.525) 2.838 22.179 ( 8.218 -13.289 -27.901) 31.978 ======================= Grid point 548 (164/256) ======================= q-point: ( 0.55 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.096 ( 20.718 -0.464 18.923) 28.063 11.199 ( -1.342 4.968 43.496) 43.800 15.308 ( -11.157 5.070 16.776) 20.775 19.549 ( 3.966 -2.916 0.090) 4.924 19.884 ( 1.266 -1.012 -3.381) 3.749 21.721 ( 5.114 -7.353 -16.252) 18.557 ======================= Grid point 549 (165/256) ======================= q-point: ( 0.60 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.002 ( 25.454 -2.528 13.606) 28.973 11.669 ( 7.294 -5.772 44.683) 45.641 15.505 ( -5.973 -0.420 -6.004) 8.480 19.460 ( 5.307 -2.580 -0.457) 5.919 19.822 ( -1.032 0.023 -3.187) 3.350 21.537 ( -0.168 -0.700 -3.909) 3.975 ======================= Grid point 550 (166/256) ======================= q-point: (-0.35 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.766 ( 30.347 -5.212 8.452) 31.930 11.902 ( 15.718 -16.762 40.789) 46.816 15.287 ( 4.498 -9.128 -22.604) 24.789 19.367 ( 5.736 -1.571 -0.424) 5.962 19.884 ( -6.752 5.260 1.179) 8.640 21.586 ( -5.387 4.369 1.890) 7.189 ======================= Grid point 551 (167/256) ======================= q-point: (-0.30 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.384 ( 35.198 -8.035 3.717) 36.294 11.832 ( 22.415 -26.292 26.703) 43.666 14.753 ( 15.388 -16.423 -21.114) 30.860 19.289 ( 5.180 -0.104 -0.267) 5.188 20.081 ( -8.918 6.640 2.690) 11.439 21.791 ( -11.740 10.472 2.194) 15.884 ======================= Grid point 552 (168/256) ======================= q-point: (-0.25 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.871 ( 39.532 -10.300 -0.000) 40.852 11.369 ( 27.292 -32.409 -0.000) 42.370 14.168 ( 24.473 -22.445 -0.000) 33.207 19.246 ( 3.558 1.655 -0.000) 3.924 20.238 ( -5.147 2.280 0.000) 5.630 22.146 ( -19.337 18.162 0.000) 26.529 ======================= Grid point 565 (169/256) ======================= q-point: ( 0.40 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.017 ( -0.000 2.088 30.407) 30.479 9.167 ( -0.000 15.230 27.149) 31.129 14.010 ( -0.000 -1.008 70.030) 70.037 19.689 ( 0.000 -1.727 0.755) 1.885 19.762 ( -0.000 4.466 -0.120) 4.467 23.179 ( 0.000 -9.123 -37.109) 38.214 ======================= Grid point 566 (170/256) ======================= q-point: ( 0.45 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.304 ( 10.811 4.470 25.118) 27.709 9.771 ( -16.007 20.203 25.265) 36.093 14.729 ( 0.503 -4.671 61.216) 61.396 19.682 ( -0.018 -1.712 1.061) 2.014 19.816 ( -0.552 5.038 -0.722) 5.119 22.616 ( 3.721 -11.159 -36.162) 38.027 ======================= Grid point 567 (171/256) ======================= q-point: ( 0.50 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.460 ( 15.391 4.388 19.667) 25.356 10.526 ( -21.326 22.674 24.902) 39.862 15.274 ( 1.819 -8.101 48.520) 49.225 19.665 ( 1.742 -1.464 0.692) 2.378 19.861 ( -1.264 3.046 -2.215) 3.973 22.052 ( 4.924 -9.836 -30.619) 32.535 ======================= Grid point 568 (172/256) ======================= q-point: ( 0.55 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.502 ( 19.085 2.997 14.570) 24.198 11.306 ( -20.360 20.574 25.028) 38.265 15.591 ( 3.737 -11.412 31.071) 33.310 19.620 ( 3.674 -1.766 -0.155) 4.079 19.842 ( -0.374 -0.351 -5.633) 5.656 21.634 ( 2.526 -4.666 -18.648) 19.388 ======================= Grid point 569 (173/256) ======================= q-point: ( 0.60 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.422 ( 22.884 0.756 9.559) 24.812 11.990 ( -14.014 13.205 24.536) 31.189 15.615 ( 6.885 -14.915 9.756) 19.106 19.540 ( 4.513 -2.547 -0.849) 5.251 19.762 ( -0.106 -0.268 -5.787) 5.795 21.471 ( -1.521 0.634 -6.110) 6.328 ======================= Grid point 570 (174/256) ======================= q-point: (-0.35 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.211 ( 26.978 -2.098 4.615) 27.450 12.433 ( -3.036 0.548 19.133) 19.380 15.340 ( 10.477 -16.781 -5.824) 20.622 19.449 ( 5.270 -2.248 -0.331) 5.739 19.757 ( -4.269 3.849 -1.782) 6.018 21.500 ( -4.273 3.186 -0.336) 5.340 ======================= Grid point 571 (175/256) ======================= q-point: (-0.30 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.863 ( 31.223 -5.226 -0.000) 31.657 12.430 ( 10.850 -15.345 -0.000) 18.793 14.966 ( 12.448 -15.275 -0.000) 19.705 19.362 ( 5.935 -1.396 -0.000) 6.097 19.898 ( -9.119 7.507 0.000) 11.812 21.612 ( -6.836 5.469 0.000) 8.754 ======================= Grid point 586 (176/256) ======================= q-point: ( 0.45 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.590 ( -0.000 5.943 19.815) 20.687 9.686 ( -0.000 14.431 18.255) 23.270 15.519 ( -0.000 -7.406 61.111) 61.559 19.703 ( -0.000 -0.381 0.532) 0.654 19.750 ( -0.000 3.433 -0.983) 3.571 22.313 ( 0.000 -6.552 -37.792) 38.356 ======================= Grid point 587 (177/256) ======================= q-point: ( 0.50 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.756 ( 13.898 7.349 14.647) 21.488 10.236 ( -21.128 21.383 15.288) 33.724 16.018 ( 4.041 -13.290 50.016) 51.909 19.699 ( 1.678 -0.020 0.361) 1.717 19.779 ( -2.007 2.465 -2.608) 4.112 21.822 ( 1.876 -5.836 -31.766) 32.352 ======================= Grid point 588 (178/256) ======================= q-point: ( 0.55 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.795 ( 17.114 6.061 9.739) 20.603 10.951 ( -27.064 26.193 12.305) 39.623 16.242 ( 8.892 -19.299 33.726) 39.862 19.666 ( 2.666 -1.013 -1.151) 3.076 19.770 ( -0.877 0.275 -4.788) 4.876 21.467 ( 0.259 -1.512 -18.823) 18.886 ======================= Grid point 589 (179/256) ======================= q-point: ( 0.60 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.724 ( 20.153 3.895 4.866) 21.095 11.688 ( -27.035 25.739 8.329) 38.246 16.131 ( 13.805 -24.454 13.665) 31.229 19.593 ( 1.832 -3.054 -2.132) 4.151 19.715 ( 2.091 0.563 -3.219) 3.880 21.356 ( -2.829 2.515 -5.794) 6.921 ======================= Grid point 590 (180/256) ======================= q-point: (-0.35 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.531 ( 23.467 1.094 -0.000) 23.493 12.276 ( -19.872 17.997 0.000) 26.810 15.732 ( 15.822 -25.000 -0.000) 29.587 19.523 ( 2.766 -2.855 -0.000) 3.975 19.689 ( 0.527 1.877 0.000) 1.950 21.408 ( -4.155 3.429 0.000) 5.387 ======================= Grid point 609 (181/256) ======================= q-point: ( 0.50 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.926 ( -0.000 7.816 9.723) 12.475 9.999 ( -0.000 14.303 9.195) 17.004 16.728 ( -0.000 -11.936 42.128) 43.786 19.711 ( 0.000 0.528 -0.541) 0.756 19.716 ( 0.000 1.025 -1.228) 1.599 21.523 ( 0.000 -1.989 -28.789) 28.857 ======================= Grid point 610 (182/256) ======================= q-point: ( 0.55 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.978 ( 14.913 8.415 4.832) 17.792 10.468 ( -23.049 22.307 5.085) 32.477 16.892 ( 6.214 -19.024 22.543) 30.145 19.673 ( 0.308 -1.825 -2.746) 3.311 19.728 ( 0.532 1.330 -0.582) 1.546 21.271 ( -0.740 1.183 -13.745) 13.816 ======================= Grid point 611 (183/256) ======================= q-point: (-0.40 -0.55 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.906 ( 17.539 6.528 -0.000) 18.714 11.091 ( -28.763 27.486 0.000) 39.784 16.662 ( 11.926 -24.417 -0.000) 27.174 19.620 ( -0.029 -3.422 -0.000) 3.422 19.719 ( 2.799 1.413 -0.000) 3.135 21.248 ( -2.656 3.270 0.000) 4.213 ======================= Grid point 632 (184/256) ======================= q-point: (-0.45 -0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.037 ( -0.000 8.347 0.000) 8.347 10.105 ( -0.000 14.334 0.000) 14.334 17.257 ( 0.000 -13.966 -0.000) 13.966 19.679 ( 0.000 -1.882 0.000) 1.882 19.716 ( -0.000 1.283 0.000) 1.283 21.158 ( -0.000 1.823 0.000) 1.823 ======================= Grid point 918 (185/256) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.401 ( -0.000 -13.892 62.841) 64.358 7.165 ( -0.000 38.140 46.261) 59.957 9.736 ( -0.000 44.042 64.761) 78.318 19.544 ( 0.000 -4.295 -0.198) 4.300 19.807 ( -0.000 6.162 3.121) 6.908 24.936 ( 0.000 -18.805 -23.965) 30.462 ======================= Grid point 919 (186/256) ======================= q-point: ( 0.35 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.998 ( -4.168 -9.752 59.735) 60.669 7.972 ( 21.536 37.128 42.646) 60.506 11.065 ( -24.860 40.885 55.778) 73.490 19.488 ( -0.687 -5.725 -0.194) 5.770 19.902 ( 3.175 7.078 3.171) 8.381 24.388 ( 3.985 -22.140 -26.650) 34.875 ======================= Grid point 920 (187/256) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.609 ( -3.526 -7.338 55.580) 56.173 8.528 ( 33.774 32.986 41.134) 62.616 12.462 ( -37.931 38.468 45.076) 70.359 19.429 ( -1.115 -6.629 0.587) 6.748 19.960 ( 6.878 6.763 2.857) 10.060 23.741 ( 7.574 -24.055 -28.391) 37.974 ======================= Grid point 921 (188/256) ======================= q-point: ( 0.45 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.159 ( 0.527 -5.825 50.047) 50.388 8.914 ( 39.825 26.947 40.681) 62.985 13.806 ( -42.878 35.492 34.000) 65.224 19.380 ( -1.235 -6.607 1.890) 6.982 19.962 ( 9.962 5.180 2.287) 11.458 23.034 ( 10.597 -24.066 -28.165) 38.532 ======================= Grid point 922 (189/256) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.592 ( 6.987 -4.404 42.832) 43.622 9.173 ( 42.689 19.337 41.140) 62.360 14.994 ( -42.014 30.158 21.657) 56.069 19.351 ( -0.885 -5.468 3.038) 6.318 19.905 ( 11.267 2.461 1.522) 11.633 22.337 ( 12.097 -20.947 -24.152) 34.182 ======================= Grid point 923 (190/256) ======================= q-point: ( 0.55 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.867 ( 15.193 -2.476 34.076) 37.392 9.324 ( 43.664 10.198 42.232) 61.597 15.886 ( -33.990 19.212 5.433) 39.420 19.342 ( 0.179 -3.199 3.125) 4.476 19.808 ( 9.668 -0.261 1.366) 9.768 21.785 ( 9.515 -12.795 -14.128) 21.304 ======================= Grid point 924 (191/256) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.961 ( 24.517 0.000 24.517) 34.672 9.374 ( 43.322 0.000 43.322) 61.267 16.240 ( -16.004 0.000 -16.004) 22.634 19.341 ( 1.845 0.000 1.845) 2.609 19.749 ( 4.794 0.000 4.794) 6.780 21.567 ( -0.195 0.000 -0.195) 0.276 ======================= Grid point 940 (192/256) ======================= q-point: ( 0.35 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.807 ( -0.000 -14.138 59.095) 60.762 8.154 ( -0.000 33.227 40.078) 52.060 11.197 ( -0.000 30.815 63.188) 70.301 19.550 ( 0.000 -5.293 0.781) 5.351 19.867 ( -0.000 7.203 2.085) 7.498 24.338 ( 0.000 -19.478 -28.303) 34.358 ======================= Grid point 941 (193/256) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.341 ( -1.427 -10.894 56.454) 57.513 8.884 ( 14.535 32.742 37.139) 51.601 12.309 ( -17.678 28.530 53.255) 62.949 19.503 ( -0.944 -6.159 1.516) 6.413 19.959 ( 2.988 7.699 1.652) 8.422 23.741 ( 4.190 -22.060 -29.830) 37.337 ======================= Grid point 942 (194/256) ======================= q-point: ( 0.45 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.849 ( 2.233 -8.353 51.197) 51.922 9.437 ( 23.795 27.418 38.560) 52.960 13.439 ( -28.979 27.579 40.527) 56.946 19.468 ( -1.239 -6.384 2.718) 7.048 20.005 ( 5.928 6.485 0.959) 8.838 23.075 ( 7.524 -22.506 -29.611) 37.946 ======================= Grid point 943 (195/256) ======================= q-point: ( 0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.247 ( 9.326 -5.619 43.378) 44.724 9.860 ( 28.662 18.453 42.290) 54.318 14.494 ( -33.940 25.797 26.315) 50.098 19.446 ( -0.620 -5.711 3.631) 6.796 19.989 ( 7.670 3.428 -0.104) 8.402 22.409 ( 9.411 -19.908 -25.935) 34.022 ======================= Grid point 944 (196/256) ======================= q-point: ( 0.55 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.488 ( 18.035 -2.754 34.252) 38.808 10.171 ( 31.178 7.463 45.932) 56.014 15.355 ( -31.932 20.102 9.845) 38.996 19.429 ( 1.080 -4.055 3.369) 5.381 19.910 ( 7.018 -0.461 -1.250) 7.143 21.861 ( 8.318 -13.145 -16.800) 22.896 ======================= Grid point 945 (197/256) ======================= q-point: ( 0.60 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.552 ( 26.972 -0.461 25.253) 36.952 10.363 ( 32.673 -3.802 47.676) 57.922 15.828 ( -20.461 7.146 -10.231) 23.966 19.402 ( 3.295 -1.564 1.895) 4.110 19.829 ( 2.705 -0.930 0.710) 2.947 21.579 ( 2.475 -3.414 -4.248) 5.985 ======================= Grid point 946 (198/256) ======================= q-point: (-0.35 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.439 ( 35.459 0.874 17.054) 39.357 10.423 ( 33.505 -14.170 46.873) 59.333 15.711 ( -1.586 -9.885 -28.774) 30.466 19.366 ( 4.745 1.210 0.483) 4.921 19.878 ( -2.806 1.937 6.111) 6.998 21.632 ( -7.606 6.594 4.679) 11.101 ======================= Grid point 947 (199/256) ======================= q-point: (-0.30 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.156 ( 43.125 1.427 9.876) 44.264 10.342 ( 33.695 -23.122 43.243) 59.497 15.050 ( 15.802 -21.764 -37.130) 45.848 19.338 ( 4.786 3.453 -0.387) 5.914 20.026 ( -3.283 0.500 8.631) 9.248 21.988 ( -18.478 16.070 7.528) 25.620 ======================= Grid point 948 (200/256) ======================= q-point: (-0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.721 ( 49.577 1.758 4.075) 49.776 10.106 ( 33.514 -30.450 35.689) 57.655 14.082 ( 29.495 -27.739 -34.865) 53.432 19.332 ( 3.495 5.075 -0.658) 6.197 20.126 ( -0.793 -3.611 7.346) 8.224 22.551 ( -25.616 22.524 6.395) 34.705 ======================= Grid point 949 (201/256) ======================= q-point: (-0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.172 ( 54.497 2.661 0.402) 54.564 9.677 ( 33.805 -35.793 21.699) 53.803 13.002 ( 41.094 -31.259 -22.481) 56.314 19.359 ( 1.727 5.995 -0.474) 6.257 20.127 ( 1.371 -6.612 3.953) 7.825 23.196 ( -28.310 25.060 3.541) 37.973 ======================= Grid point 950 (202/256) ======================= q-point: (-0.15 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.570 ( 57.824 5.038 -0.000) 58.044 8.983 ( 36.355 -38.211 -0.000) 52.743 11.962 ( 50.347 -35.235 -0.000) 61.451 19.416 ( 0.333 6.166 0.000) 6.175 20.042 ( 2.691 -7.719 -0.000) 8.175 23.827 ( -28.211 24.661 0.000) 37.470 ======================= Grid point 961 (203/256) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.059 ( -0.000 -7.728 49.775) 50.371 8.989 ( -0.000 29.478 32.991) 44.242 12.624 ( -0.000 16.171 61.718) 63.802 19.580 ( 0.000 -4.946 1.817) 5.269 19.899 ( -0.000 7.494 0.672) 7.524 23.647 ( 0.000 -18.668 -32.033) 37.075 ======================= Grid point 962 (204/256) ======================= q-point: ( 0.45 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.523 ( 3.801 -4.812 46.035) 46.442 9.668 ( 3.831 29.248 31.468) 43.131 13.502 ( -10.113 13.754 51.196) 53.967 19.555 ( -0.744 -5.076 2.927) 5.906 19.974 ( 2.132 7.144 -0.365) 7.464 23.034 ( 3.970 -19.866 -31.785) 37.692 ======================= Grid point 963 (205/256) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.884 ( 11.923 -1.536 38.574) 40.404 10.290 ( 6.590 22.376 35.785) 42.716 14.321 ( -17.663 12.960 36.784) 42.813 19.544 ( -0.171 -4.645 3.712) 5.948 19.997 ( 3.634 4.434 -1.917) 6.045 22.407 ( 6.342 -17.892 -28.239) 34.026 ======================= Grid point 964 (206/256) ======================= q-point: ( 0.55 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.090 ( 20.482 1.225 30.083) 36.414 10.828 ( 10.858 11.205 41.371) 44.216 15.011 ( -21.159 11.485 19.043) 30.696 19.529 ( 1.848 -3.614 3.265) 5.209 19.944 ( 3.715 -0.017 -4.046) 5.493 21.882 ( 6.017 -11.968 -19.431) 23.601 ======================= Grid point 965 (207/256) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.132 ( 28.201 2.600 22.210) 35.991 11.224 ( 16.314 -1.416 44.631) 47.540 15.446 ( -17.472 5.789 -1.612) 18.476 19.488 ( 4.318 -2.134 1.573) 5.067 19.849 ( 1.188 -1.666 -3.716) 4.242 21.587 ( 2.300 -4.134 -7.403) 8.786 ======================= Grid point 966 (208/256) ======================= q-point: (-0.35 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.013 ( 35.245 2.660 15.119) 38.443 11.431 ( 21.233 -13.646 43.791) 50.544 15.457 ( -5.161 -4.689 -20.676) 21.820 19.428 ( 5.763 -0.080 0.489) 5.784 19.848 ( -4.471 2.241 0.969) 5.094 21.554 ( -3.760 2.384 0.970) 4.557 ======================= Grid point 967 (209/256) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.735 ( 41.736 1.899 8.762) 42.688 11.418 ( 24.468 -24.353 37.219) 50.765 15.022 ( 10.279 -14.071 -28.375) 33.299 19.370 ( 6.343 1.809 -0.021) 6.595 20.004 ( -8.197 4.408 4.334) 10.266 21.736 ( -11.616 9.246 3.674) 15.295 ======================= Grid point 968 (210/256) ======================= q-point: (-0.25 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.310 ( 47.406 1.006 3.455) 47.542 11.150 ( 26.242 -32.415 22.534) 47.404 14.336 ( 23.873 -19.719 -20.459) 37.112 19.330 ( 5.444 3.450 -0.211) 6.448 20.170 ( -5.887 0.722 3.458) 6.866 22.108 ( -20.093 17.243 2.716) 26.616 ======================= Grid point 969 (211/256) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.769 ( 51.777 0.896 -0.000) 51.785 10.576 ( 28.587 -36.302 -0.000) 46.207 13.622 ( 34.386 -24.696 -0.000) 42.336 19.324 ( 3.586 4.904 0.000) 6.076 20.214 ( -1.680 -4.065 -0.000) 4.399 22.625 ( -25.936 23.027 0.000) 34.683 ======================= Grid point 982 (212/256) ======================= q-point: ( 0.45 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.058 ( -0.000 0.808 37.337) 37.346 9.659 ( -0.000 27.078 25.570) 37.243 14.009 ( -0.000 1.641 59.172) 59.195 19.630 ( 0.000 -3.340 2.463) 4.150 19.895 ( -0.000 6.693 -1.090) 6.781 22.886 ( 0.000 -15.972 -34.287) 37.825 ======================= Grid point 983 (213/256) ======================= q-point: ( 0.50 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.414 ( 12.225 3.999 31.707) 34.216 10.318 ( -9.706 27.194 25.152) 38.293 14.641 ( -3.284 -2.203 48.168) 48.330 19.629 ( 0.246 -2.889 3.317) 4.406 19.935 ( 0.660 4.850 -3.240) 5.870 22.311 ( 3.040 -14.752 -30.780) 34.268 ======================= Grid point 984 (214/256) ======================= q-point: ( 0.55 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.598 ( 21.442 6.408 24.098) 32.887 11.035 ( -11.573 21.560 28.374) 37.468 15.116 ( -5.422 -4.920 32.436) 33.252 19.622 ( 2.296 -2.300 2.736) 4.248 19.907 ( 0.719 0.637 -6.012) 6.089 21.823 ( 3.360 -9.563 -21.938) 24.166 ======================= Grid point 985 (215/256) ======================= q-point: ( 0.60 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.627 ( 28.006 6.903 17.208) 33.587 11.677 ( -6.360 11.451 31.214) 33.851 15.367 ( -5.191 -7.543 12.081) 15.159 19.576 ( 4.500 -2.027 0.234) 4.941 19.816 ( 0.183 -1.565 -6.017) 6.220 21.546 ( 0.685 -2.859 -9.879) 10.307 ======================= Grid point 986 (216/256) ======================= q-point: (-0.35 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.509 ( 33.661 5.988 10.900) 35.885 12.115 ( 2.463 -2.481 30.805) 31.003 15.321 ( -0.603 -10.402 -7.666) 12.935 19.498 ( 4.977 -0.811 -0.478) 5.065 19.773 ( -2.517 1.332 -2.351) 3.693 21.493 ( -3.010 1.338 -1.653) 3.686 ======================= Grid point 988 (217/256) ======================= q-point: (-0.30 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.243 ( 38.941 4.225 5.056) 39.494 12.227 ( 11.649 -17.848 21.524) 30.291 15.012 ( 7.537 -11.928 -13.870) 19.785 19.432 ( 6.524 0.748 0.035) 6.567 19.868 ( -8.530 5.484 0.560) 10.157 21.583 ( -7.009 4.469 0.944) 8.366 ======================= Grid point 989 (218/256) ======================= q-point: (-0.25 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.835 ( 43.691 2.253 -0.000) 43.749 11.905 ( 19.327 -29.203 -0.000) 35.020 14.636 ( 16.384 -13.822 -0.000) 21.436 19.369 ( 6.823 1.969 -0.000) 7.101 20.056 ( -10.114 5.420 0.000) 11.475 21.780 ( -12.792 9.862 0.000) 16.152 ======================= Grid point 1004 (219/256) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.759 ( -0.000 7.929 24.052) 25.325 10.155 ( -0.000 26.002 17.793) 31.508 15.299 ( -0.000 -10.991 52.788) 53.920 19.687 ( -0.000 -1.134 2.347) 2.607 19.843 ( -0.000 4.197 -3.620) 5.542 22.111 ( 0.000 -10.586 -32.530) 34.210 ======================= Grid point 1005 (220/256) ======================= q-point: ( 0.55 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.976 ( 19.536 10.670 17.808) 28.507 10.798 ( -20.584 27.275 16.451) 37.924 15.662 ( 1.910 -16.932 39.755) 43.253 19.692 ( 2.202 -0.858 1.502) 2.800 19.821 ( -1.080 0.953 -6.297) 6.459 21.678 ( 1.080 -6.167 -23.264) 24.092 ======================= Grid point 1006 (221/256) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.001 ( 26.477 10.907 11.496) 30.857 11.542 ( -23.326 24.620 15.323) 37.216 15.756 ( 4.874 -22.094 21.939) 31.515 19.627 ( 2.846 -2.446 -3.908) 5.418 19.771 ( 0.558 -0.031 -3.150) 3.199 21.444 ( -0.860 -0.498 -10.832) 10.877 ======================= Grid point 1007 (222/256) ======================= q-point: ( 0.65 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.886 ( 31.127 9.446 5.621) 33.011 12.182 ( -17.847 16.065 11.719) 26.720 15.557 ( 8.131 -24.135 4.329) 25.833 19.532 ( 1.337 -1.843 -2.594) 3.451 19.735 ( 2.241 1.099 -1.102) 2.729 21.411 ( -3.372 2.207 -2.563) 4.776 ======================= Grid point 1008 (223/256) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.633 ( 35.262 7.031 -0.000) 35.957 12.496 ( -5.110 -0.277 0.000) 5.117 15.207 ( 8.878 -19.090 -0.000) 21.054 19.488 ( 3.579 0.001 -0.000) 3.579 19.747 ( -2.703 3.216 0.000) 4.201 21.479 ( -4.991 2.862 0.000) 5.753 ======================= Grid point 1025 (224/256) ======================= q-point: ( 0.55 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.163 ( 0.000 12.085 11.550) 16.717 10.466 ( -0.000 25.846 9.246) 27.450 16.347 ( -0.000 -20.817 36.387) 41.921 19.711 ( 0.000 -0.933 -4.031) 4.138 19.745 ( -0.000 1.453 -0.917) 1.718 21.471 ( 0.000 -2.211 -21.403) 21.517 ======================= Grid point 1026 (225/256) ======================= q-point: ( 0.60 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.242 ( 22.826 13.660 5.719) 27.209 11.053 ( -25.585 28.187 5.670) 38.488 16.352 ( 5.064 -27.443 17.481) 32.930 19.614 ( 0.366 -3.196 -5.389) 6.276 19.763 ( 1.413 1.638 0.415) 2.202 21.308 ( -1.184 1.969 -8.342) 8.653 ======================= Grid point 1027 (226/256) ======================= q-point: (-0.35 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.131 ( 27.878 12.232 -0.000) 30.444 11.719 ( -27.194 26.428 0.000) 37.920 16.026 ( 9.254 -30.080 -0.000) 31.471 19.543 ( -0.098 -3.065 -0.000) 3.067 19.754 ( 3.546 1.515 -0.000) 3.856 21.323 ( -2.965 3.141 0.000) 4.320 ======================= Grid point 1048 (227/256) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.294 ( -0.000 13.374 0.000) 13.374 10.572 ( -0.000 25.917 0.000) 25.917 16.801 ( 0.000 -25.434 0.000) 25.434 19.619 ( 0.000 -3.219 0.000) 3.219 19.755 ( -0.000 1.950 0.000) 1.950 21.215 ( -0.000 3.002 0.000) 3.002 ======================= Grid point 1377 (228/256) ======================= q-point: ( 0.45 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.875 ( -0.000 -7.411 55.081) 55.577 9.745 ( -0.000 35.636 30.259) 46.750 13.073 ( -0.000 22.570 46.975) 52.116 19.453 ( 0.000 -5.948 2.868) 6.604 20.076 ( -0.000 7.441 0.112) 7.442 23.162 ( 0.000 -23.159 -29.829) 37.764 ======================= Grid point 1378 (229/256) ======================= q-point: ( 0.50 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.396 ( 3.405 -5.596 51.129) 51.547 10.391 ( 14.371 33.249 28.715) 46.223 13.883 ( -16.094 19.047 36.123) 43.894 19.433 ( -0.356 -5.262 4.551) 6.967 20.118 ( 3.090 4.842 -2.388) 6.220 22.556 ( 3.291 -21.155 -27.223) 34.633 ======================= Grid point 1379 (230/256) ======================= q-point: ( 0.55 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.814 ( 10.022 -4.107 44.575) 45.872 10.840 ( 24.940 25.373 30.788) 47.049 14.666 ( -25.732 16.318 21.572) 37.333 19.441 ( 0.125 -4.106 5.615) 6.958 20.055 ( 4.976 0.262 -5.526) 7.441 22.018 ( 4.969 -15.306 -20.430) 26.007 ======================= Grid point 1380 (231/256) ======================= q-point: ( 0.60 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.080 ( 18.319 -2.229 36.266) 40.691 11.107 ( 31.188 13.608 33.249) 47.575 15.278 ( -25.665 10.656 4.133) 28.095 19.457 ( 1.523 -2.470 5.056) 5.829 19.910 ( 3.870 -2.641 -6.234) 7.798 21.660 ( 3.793 -7.166 -10.256) 13.074 ======================= Grid point 1381 (232/256) ======================= q-point: (-0.35 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.170 ( 27.272 0.000 27.272) 38.569 11.197 ( 33.747 0.000 33.747) 47.726 15.521 ( -14.113 0.000 -14.113) 19.959 19.462 ( 3.250 0.000 3.250) 4.596 19.826 ( -1.278 0.000 -1.278) 1.807 21.539 ( -1.279 0.000 -1.279) 1.808 ======================= Grid point 1399 (233/256) ======================= q-point: ( 0.50 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.033 ( -0.000 -3.102 45.264) 45.371 10.364 ( -0.000 33.794 23.967) 41.430 14.109 ( -0.000 7.351 43.689) 44.304 19.541 ( -0.000 -4.358 4.608) 6.342 20.041 ( -0.000 5.424 -3.349) 6.375 22.481 ( 0.000 -18.608 -29.207) 34.631 ======================= Grid point 1400 (234/256) ======================= q-point: ( 0.55 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.449 ( 9.069 -1.315 39.965) 41.002 10.988 ( 3.274 30.748 23.449) 38.807 14.652 ( -8.747 3.313 31.094) 32.471 19.554 ( 0.443 -3.523 5.571) 6.607 20.010 ( 1.659 1.205 -7.118) 7.407 21.980 ( 2.272 -13.442 -22.500) 26.307 ======================= Grid point 1401 (235/256) ======================= q-point: ( 0.60 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.696 ( 19.321 1.304 31.662) 37.115 11.505 ( 8.099 19.479 26.956) 34.229 15.068 ( -13.663 0.744 13.722) 19.379 19.563 ( 2.150 -2.717 4.278) 5.505 19.885 ( 1.638 -2.283 -8.348) 8.808 21.640 ( 1.951 -6.168 -12.493) 14.069 ======================= Grid point 1402 (236/256) ======================= q-point: ( 0.65 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.761 ( 28.617 3.662 22.743) 36.737 11.835 ( 13.820 2.955 29.209) 32.448 15.257 ( -10.828 -2.233 -5.052) 12.156 19.536 ( 3.299 -1.099 1.194) 3.677 19.787 ( -0.785 -0.758 -3.379) 3.551 21.505 ( -0.978 -0.861 -3.916) 4.127 ======================= Grid point 1403 (237/256) ======================= q-point: (-0.30 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.648 ( 36.741 5.041 14.180) 39.704 11.905 ( 17.922 -14.620 25.972) 34.777 15.142 ( 0.651 -5.501 -16.536) 17.439 19.509 ( 4.758 1.687 1.055) 5.157 19.822 ( -6.324 2.809 0.524) 6.940 21.539 ( -6.015 2.914 0.647) 6.715 ======================= Grid point 1404 (238/256) ======================= q-point: (-0.25 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.364 ( 43.587 5.389 6.342) 44.374 11.679 ( 19.867 -28.555 15.391) 38.039 14.785 ( 15.470 -8.037 -13.736) 22.194 19.477 ( 6.793 2.935 0.377) 7.410 19.980 ( -9.984 3.646 1.789) 10.778 21.726 ( -13.296 8.527 1.617) 15.878 ======================= Grid point 1405 (239/256) ======================= q-point: (-0.20 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.930 ( 48.584 5.171 -0.000) 48.858 11.159 ( 22.439 -34.816 -0.000) 41.420 14.336 ( 28.063 -12.044 -0.000) 30.538 19.441 ( 6.319 4.047 0.000) 7.504 20.115 ( -7.033 -0.544 0.000) 7.054 22.076 ( -21.507 15.946 0.000) 26.774 ======================= Grid point 1420 (240/256) ======================= q-point: ( 0.55 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.909 ( 0.000 4.348 30.926) 31.230 10.836 ( -0.000 32.672 17.196) 36.921 15.056 ( -0.000 -9.429 38.579) 39.714 19.649 ( 0.000 -2.216 4.443) 4.965 19.915 ( -0.000 1.612 -7.631) 7.799 21.863 ( 0.000 -10.362 -23.927) 26.075 ======================= Grid point 1421 (241/256) ======================= q-point: ( 0.60 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.186 ( 17.080 6.521 24.158) 30.296 11.450 ( -9.855 28.798 16.474) 34.610 15.289 ( -1.642 -14.721 23.905) 28.122 19.652 ( 1.867 -2.702 0.904) 3.407 19.820 ( 0.061 -0.846 -7.025) 7.076 21.560 ( 0.363 -3.969 -13.796) 14.360 ======================= Grid point 1422 (242/256) ======================= q-point: ( 0.65 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.238 ( 28.016 8.550 15.661) 33.215 12.025 ( -8.927 16.350 17.181) 25.342 15.297 ( -0.984 -16.385 6.447) 17.635 19.565 ( 1.059 -2.459 -4.446) 5.190 19.773 ( 1.707 0.150 -0.204) 1.726 21.441 ( -1.567 0.134 -5.259) 5.489 ======================= Grid point 1423 (243/256) ======================= q-point: (-0.30 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.107 ( 35.199 8.771 7.547) 37.052 12.348 ( -0.936 -2.838 13.130) 13.465 15.120 ( 2.538 -12.082 -4.682) 13.203 19.522 ( -0.106 1.110 -1.129) 1.587 19.763 ( 0.600 1.323 0.192) 1.466 21.455 ( -4.312 1.666 -0.856) 4.701 ======================= Grid point 1424 (244/256) ======================= q-point: (-0.25 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.810 ( 40.360 7.457 -0.000) 41.043 12.237 ( 9.446 -21.560 -0.000) 23.539 14.917 ( 8.484 -6.093 -0.000) 10.445 19.520 ( 4.759 2.523 -0.000) 5.386 19.831 ( -7.603 3.892 0.000) 8.541 21.549 ( -7.765 3.629 0.000) 8.572 ======================= Grid point 1441 (245/256) ======================= q-point: ( 0.60 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.436 ( -0.000 10.802 15.211) 18.656 11.141 ( -0.000 32.165 9.229) 33.463 15.815 ( -0.000 -24.651 25.942) 35.786 19.661 ( 0.000 -3.327 -7.155) 7.891 19.778 ( -0.000 1.272 0.373) 1.325 21.434 ( -0.000 -0.969 -12.881) 12.917 ======================= Grid point 1442 (246/256) ======================= q-point: ( 0.65 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.550 ( 22.849 12.105 7.858) 27.026 11.714 ( -18.742 28.248 6.085) 34.442 15.691 ( 3.145 -28.796 9.811) 30.584 19.538 ( -0.102 -3.158 -5.352) 6.215 19.798 ( 1.994 1.321 1.245) 2.697 21.354 ( -1.404 1.892 -4.366) 4.961 ======================= Grid point 1443 (247/256) ======================= q-point: (-0.30 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.416 ( 31.276 11.506 -0.000) 33.325 12.231 ( -16.250 16.258 0.000) 22.986 15.369 ( 5.098 -24.784 -0.000) 25.303 19.494 ( -1.483 -1.004 -0.000) 1.791 19.785 ( 3.707 1.122 -0.000) 3.873 21.384 ( -3.161 2.046 0.000) 3.765 ======================= Grid point 1464 (248/256) ======================= q-point: (-0.35 -0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.608 ( -0.000 13.247 0.000) 13.247 11.248 ( -0.000 32.061 0.000) 32.061 16.134 ( 0.000 -31.768 0.000) 31.768 19.541 ( 0.000 -3.437 0.000) 3.437 19.800 ( -0.000 1.868 0.000) 1.868 21.287 ( -0.000 3.052 0.000) 3.052 ======================= Grid point 1836 (249/256) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.932 ( -0.000 -2.472 37.928) 38.008 11.596 ( -0.000 32.430 15.610) 35.992 14.900 ( -0.000 -3.699 21.099) 21.421 19.587 ( 0.000 -3.052 5.472) 6.266 19.907 ( -0.000 -2.235 -10.069) 10.315 21.664 ( -0.000 -6.776 -14.340) 15.860 ======================= Grid point 1837 (250/256) ======================= q-point: ( 0.65 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.240 ( 11.548 -2.033 31.676) 33.777 12.050 ( 4.788 21.792 12.406) 25.529 15.047 ( -5.745 -5.030 7.634) 10.797 19.577 ( 0.643 -3.350 -0.754) 3.494 19.793 ( 0.613 -1.323 -3.100) 3.425 21.494 ( -0.127 -2.011 -7.231) 7.507 ======================= Grid point 1838 (251/256) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.343 ( 22.494 0.000 22.494) 31.811 12.225 ( 9.736 0.000 9.736) 13.768 15.093 ( -3.551 0.000 -3.551) 5.022 19.534 ( -1.881 0.000 -1.881) 2.660 19.775 ( 1.467 0.000 1.467) 2.074 21.444 ( -2.581 -0.000 -2.581) 3.650 ======================= Grid point 1858 (252/256) ======================= q-point: ( 0.65 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.616 ( -0.000 4.244 21.039) 21.463 11.866 ( -0.000 29.174 7.937) 30.235 15.285 ( -0.000 -19.720 12.166) 23.171 19.574 ( 0.000 -3.876 -6.889) 7.904 19.800 ( -0.000 0.565 1.857) 1.941 21.423 ( -0.000 -0.180 -6.850) 6.852 ======================= Grid point 1859 (253/256) ======================= q-point: ( 0.70 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.751 ( 17.659 4.768 11.886) 21.814 12.240 ( -5.696 14.425 4.166) 16.059 15.152 ( 0.540 -14.804 2.010) 14.949 19.484 ( -1.433 -1.318 -3.490) 3.997 19.820 ( 2.142 0.505 1.856) 2.878 21.386 ( -1.600 0.777 -2.333) 2.934 ======================= Grid point 1860 (254/256) ======================= q-point: (-0.25 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.610 ( 27.721 4.762 -0.000) 28.127 12.338 ( 0.058 -8.923 -0.000) 8.923 15.042 ( 2.913 -1.319 -0.000) 3.198 19.504 ( -4.193 1.913 0.000) 4.609 19.802 ( 3.102 0.347 -0.000) 3.122 21.415 ( -4.022 0.733 0.000) 4.088 ======================= Grid point 1879 (255/256) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 1116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.861 ( -0.000 8.142 0.000) 8.142 11.956 ( -0.000 27.298 0.000) 27.298 15.429 ( 0.000 -27.221 0.000) 27.221 19.473 ( 0.000 -2.236 0.000) 2.236 19.835 ( -0.000 1.135 0.000) 1.135 21.346 ( -0.000 1.906 0.000) 1.906 ======================= Grid point 2295 (256/256) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 0.00e+00 Number of triplets: 558 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.957 ( -0.000 -0.000 0.000) 0.000 12.315 ( -0.000 -0.000 0.000) 0.000 15.072 ( -0.000 0.000 0.000) 0.000 19.446 ( -0.000 -0.000 0.000) 0.000 19.849 ( 0.000 -0.000 0.000) 0.000 21.368 ( -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 3/48000 10.0 18281.086 18281.086 18281.086 0.000 -0.000 -0.000 3/48000 20.0 12179.859 12179.859 12179.859 0.000 -0.000 -0.000 3/48000 30.0 8659.366 8659.366 8659.366 0.000 -0.000 -0.000 3/48000 40.0 6075.928 6075.928 6075.928 0.000 -0.000 -0.000 3/48000 50.0 4626.409 4626.409 4626.409 0.000 -0.000 -0.000 3/48000 60.0 3722.671 3722.671 3722.671 0.000 -0.000 -0.000 3/48000 70.0 3048.812 3048.812 3048.812 0.000 -0.000 -0.000 3/48000 80.0 2505.411 2505.411 2505.411 0.000 -0.000 -0.000 3/48000 90.0 2063.103 2063.103 2063.103 0.000 -0.000 -0.000 3/48000 100.0 1706.801 1706.801 1706.801 0.000 -0.000 -0.000 3/48000 110.0 1422.857 1422.857 1422.857 0.000 -0.000 -0.000 3/48000 120.0 1197.901 1197.901 1197.901 0.000 -0.000 -0.000 3/48000 130.0 1019.767 1019.767 1019.767 0.000 -0.000 -0.000 3/48000 140.0 878.171 878.171 878.171 0.000 -0.000 -0.000 3/48000 150.0 764.844 764.844 764.844 0.000 -0.000 -0.000 3/48000 160.0 673.346 673.346 673.346 0.000 -0.000 -0.000 3/48000 170.0 598.747 598.747 598.747 0.000 -0.000 -0.000 3/48000 180.0 537.305 537.305 537.305 0.000 -0.000 -0.000 3/48000 190.0 486.183 486.183 486.183 0.000 -0.000 -0.000 3/48000 200.0 443.226 443.226 443.226 0.000 -0.000 -0.000 3/48000 210.0 406.788 406.788 406.788 0.000 -0.000 -0.000 3/48000 220.0 375.602 375.602 375.602 0.000 -0.000 -0.000 3/48000 230.0 348.688 348.688 348.688 0.000 -0.000 -0.000 3/48000 240.0 325.278 325.278 325.278 0.000 -0.000 -0.000 3/48000 250.0 304.768 304.768 304.768 0.000 -0.000 -0.000 3/48000 260.0 286.676 286.676 286.676 0.000 -0.000 -0.000 3/48000 270.0 270.617 270.617 270.617 0.000 -0.000 -0.000 3/48000 280.0 256.280 256.280 256.280 0.000 -0.000 -0.000 3/48000 290.0 243.410 243.410 243.410 0.000 -0.000 -0.000 3/48000 300.0 231.799 231.799 231.799 0.000 -0.000 -0.000 3/48000 310.0 221.275 221.275 221.275 0.000 -0.000 -0.000 3/48000 320.0 211.696 211.696 211.696 0.000 -0.000 -0.000 3/48000 330.0 202.940 202.940 202.940 0.000 -0.000 -0.000 3/48000 340.0 194.908 194.908 194.908 0.000 -0.000 -0.000 3/48000 350.0 187.514 187.514 187.514 0.000 -0.000 -0.000 3/48000 360.0 180.684 180.684 180.684 0.000 -0.000 -0.000 3/48000 370.0 174.357 174.357 174.357 0.000 -0.000 -0.000 3/48000 380.0 168.478 168.478 168.478 0.000 -0.000 -0.000 3/48000 390.0 163.002 163.002 163.002 0.000 -0.000 -0.000 3/48000 400.0 157.888 157.888 157.888 0.000 -0.000 -0.000 3/48000 410.0 153.101 153.101 153.101 0.000 -0.000 -0.000 3/48000 420.0 148.610 148.610 148.610 0.000 -0.000 -0.000 3/48000 430.0 144.388 144.388 144.388 0.000 -0.000 -0.000 3/48000 440.0 140.411 140.411 140.411 0.000 -0.000 -0.000 3/48000 450.0 136.659 136.659 136.659 0.000 -0.000 -0.000 3/48000 460.0 133.111 133.111 133.111 0.000 -0.000 -0.000 3/48000 470.0 129.753 129.753 129.753 0.000 -0.000 -0.000 3/48000 480.0 126.567 126.567 126.567 0.000 -0.000 -0.000 3/48000 490.0 123.542 123.542 123.542 0.000 -0.000 -0.000 3/48000 500.0 120.665 120.665 120.665 0.000 -0.000 -0.000 3/48000 510.0 117.926 117.926 117.926 0.000 -0.000 -0.000 3/48000 520.0 115.313 115.313 115.313 0.000 -0.000 -0.000 3/48000 530.0 112.819 112.819 112.819 0.000 -0.000 -0.000 3/48000 540.0 110.436 110.436 110.436 0.000 -0.000 -0.000 3/48000 550.0 108.156 108.156 108.156 0.000 -0.000 -0.000 3/48000 560.0 105.972 105.972 105.972 0.000 -0.000 -0.000 3/48000 570.0 103.878 103.878 103.878 0.000 -0.000 -0.000 3/48000 580.0 101.869 101.869 101.869 0.000 -0.000 -0.000 3/48000 590.0 99.939 99.939 99.939 0.000 -0.000 -0.000 3/48000 600.0 98.084 98.084 98.084 0.000 -0.000 -0.000 3/48000 610.0 96.299 96.299 96.299 0.000 -0.000 -0.000 3/48000 620.0 94.581 94.581 94.581 0.000 -0.000 -0.000 3/48000 630.0 92.925 92.925 92.925 0.000 -0.000 -0.000 3/48000 640.0 91.328 91.328 91.328 0.000 -0.000 -0.000 3/48000 650.0 89.787 89.787 89.787 0.000 -0.000 -0.000 3/48000 660.0 88.299 88.299 88.299 0.000 -0.000 -0.000 3/48000 670.0 86.862 86.862 86.862 0.000 -0.000 -0.000 3/48000 680.0 85.472 85.472 85.472 0.000 -0.000 -0.000 3/48000 690.0 84.127 84.127 84.127 0.000 -0.000 -0.000 3/48000 700.0 82.826 82.826 82.826 0.000 -0.000 -0.000 3/48000 710.0 81.565 81.565 81.565 0.000 -0.000 -0.000 3/48000 720.0 80.343 80.343 80.343 0.000 -0.000 -0.000 3/48000 730.0 79.159 79.159 79.159 0.000 -0.000 -0.000 3/48000 740.0 78.010 78.010 78.010 0.000 -0.000 -0.000 3/48000 750.0 76.895 76.895 76.895 0.000 -0.000 -0.000 3/48000 760.0 75.812 75.812 75.812 0.000 -0.000 -0.000 3/48000 770.0 74.760 74.760 74.760 0.000 -0.000 -0.000 3/48000 780.0 73.738 73.738 73.738 0.000 -0.000 -0.000 3/48000 790.0 72.744 72.744 72.744 0.000 -0.000 -0.000 3/48000 800.0 71.777 71.777 71.777 0.000 -0.000 -0.000 3/48000 810.0 70.836 70.836 70.836 0.000 -0.000 -0.000 3/48000 820.0 69.921 69.921 69.921 0.000 -0.000 -0.000 3/48000 830.0 69.029 69.029 69.029 0.000 -0.000 -0.000 3/48000 840.0 68.160 68.160 68.160 0.000 -0.000 -0.000 3/48000 850.0 67.313 67.313 67.313 0.000 -0.000 -0.000 3/48000 860.0 66.488 66.488 66.488 0.000 -0.000 -0.000 3/48000 870.0 65.683 65.683 65.683 0.000 -0.000 -0.000 3/48000 880.0 64.898 64.898 64.898 0.000 -0.000 -0.000 3/48000 890.0 64.132 64.132 64.132 0.000 -0.000 -0.000 3/48000 900.0 63.384 63.384 63.384 0.000 -0.000 -0.000 3/48000 910.0 62.653 62.653 62.653 0.000 -0.000 -0.000 3/48000 920.0 61.940 61.940 61.940 0.000 -0.000 -0.000 3/48000 930.0 61.243 61.243 61.243 0.000 -0.000 -0.000 3/48000 940.0 60.562 60.562 60.562 0.000 -0.000 -0.000 3/48000 950.0 59.896 59.896 59.896 0.000 -0.000 -0.000 3/48000 960.0 59.245 59.245 59.245 0.000 -0.000 -0.000 3/48000 970.0 58.608 58.608 58.608 0.000 -0.000 -0.000 3/48000 980.0 57.985 57.985 57.985 0.000 -0.000 -0.000 3/48000 990.0 57.376 57.376 57.376 0.000 -0.000 -0.000 3/48000 1000.0 56.779 56.779 56.779 0.000 -0.000 -0.000 3/48000 Thermal conductivity related properties were written into "kappa-m202020.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:57:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|