----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:47:03]------------------------- 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: Fm-3m (225) Number of symmetry operations in supercell: 1536 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 2.108629700000000 2.108629700000000 b 2.108629700000000 0.000000000000000 2.108629700000000 c 2.108629700000000 2.108629700000000 0.000000000000000 Atomic positions (fractional): *1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 *2 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.217259400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.217259400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.217259400000000 Atomic positions (fractional): *1 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 1 3 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 1 *5 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 2 6 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 2 7 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 2 8 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 2 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.434518799999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.434518799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.434518799999999 Atomic positions (fractional): *1 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 1 3 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 1 4 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 1 5 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 1 6 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 1 7 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 1 8 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 1 9 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 1 10 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 1 11 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 1 12 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 1 13 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 1 14 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 1 15 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 1 16 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 1 17 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 1 21 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 1 22 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 1 23 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 1 24 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 1 25 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 1 26 O 0.50000000000000 0.25000000000000 0.00000000000000 15.999 > 1 27 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 1 28 O 0.50000000000000 0.75000000000000 0.00000000000000 15.999 > 1 29 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 1 30 O 0.50000000000000 0.25000000000000 0.50000000000000 15.999 > 1 31 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 1 32 O 0.50000000000000 0.75000000000000 0.50000000000000 15.999 > 1 *33 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 2 34 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 2 35 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 2 36 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 2 37 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 2 38 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 2 39 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 2 40 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 2 41 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 2 42 Mg 0.50000000000000 0.25000000000000 0.25000000000000 24.305 > 2 43 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 2 44 Mg 0.50000000000000 0.75000000000000 0.25000000000000 24.305 > 2 45 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 2 46 Mg 0.50000000000000 0.25000000000000 0.75000000000000 24.305 > 2 47 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 2 48 Mg 0.50000000000000 0.75000000000000 0.75000000000000 24.305 > 2 49 Mg 0.25000000000000 0.00000000000000 0.25000000000000 24.305 > 2 50 Mg 0.75000000000000 0.00000000000000 0.25000000000000 24.305 > 2 51 Mg 0.25000000000000 0.50000000000000 0.25000000000000 24.305 > 2 52 Mg 0.75000000000000 0.50000000000000 0.25000000000000 24.305 > 2 53 Mg 0.25000000000000 0.00000000000000 0.75000000000000 24.305 > 2 54 Mg 0.75000000000000 0.00000000000000 0.75000000000000 24.305 > 2 55 Mg 0.25000000000000 0.50000000000000 0.75000000000000 24.305 > 2 56 Mg 0.75000000000000 0.50000000000000 0.75000000000000 24.305 > 2 57 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 2 58 Mg 0.75000000000000 0.25000000000000 0.00000000000000 24.305 > 2 59 Mg 0.25000000000000 0.75000000000000 0.00000000000000 24.305 > 2 60 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 2 61 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 2 62 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 2 63 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 2 64 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 2 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2398603 0.0000000 0.0000000 0.0000000 3.2398603 0.0000000 0.0000000 0.0000000 3.2398603 -------------------------- Born effective charges -------------------------- 1 O -1.9790034 0.0000000 0.0000000 0.0000000 -1.9790034 0.0000000 0.0000000 0.0000000 -1.9790034 2 Mg 1.9790034 0.0000000 0.0000000 0.0000000 1.9790034 0.0000000 0.0000000 0.0000000 1.9790034 ---------------------------------------------------------------------------- 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: 33 Number of blocks in projector: 33 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 28 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 3 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 2 Use standard eigh solver. Tree of FC basis block matrices: - (33, 31), data: False |-- (2, 2), data: True |-- (3, 3), data: True |-- (28, 26), data: True ----- Solver_atoms: 1 -- 64 / 64 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 80 / 80 - Time: 0.006 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.007 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 33 Number of blocks in projector: 33 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 28 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 3 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 2 Use standard eigh solver. Tree of FC basis block matrices: - (33, 31), data: False |-- (2, 2), data: True |-- (3, 3), data: True |-- (28, 26), 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 18:47:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:47:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fm-3m (225) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 2.108629700000000 2.108629700000000 b 2.108629700000000 0.000000000000000 2.108629700000000 c 2.108629700000000 2.108629700000000 0.000000000000000 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.434518799999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.434518799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.434518799999999 Atomic positions (fractional): 1 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 1 3 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 1 4 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 1 5 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 1 6 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 1 7 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 1 8 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 1 9 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 1 10 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 1 11 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 1 12 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 1 13 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 1 14 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 1 15 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 1 16 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 1 17 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 1 21 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 1 22 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 1 23 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 1 24 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 1 25 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 1 26 O 0.50000000000000 0.25000000000000 0.00000000000000 15.999 > 1 27 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 1 28 O 0.50000000000000 0.75000000000000 0.00000000000000 15.999 > 1 29 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 1 30 O 0.50000000000000 0.25000000000000 0.50000000000000 15.999 > 1 31 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 1 32 O 0.50000000000000 0.75000000000000 0.50000000000000 15.999 > 1 33 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 33 34 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 33 35 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 33 36 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 33 37 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 33 38 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 33 39 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 33 40 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 33 41 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 33 42 Mg 0.50000000000000 0.25000000000000 0.25000000000000 24.305 > 33 43 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 33 44 Mg 0.50000000000000 0.75000000000000 0.25000000000000 24.305 > 33 45 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 33 46 Mg 0.50000000000000 0.25000000000000 0.75000000000000 24.305 > 33 47 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 33 48 Mg 0.50000000000000 0.75000000000000 0.75000000000000 24.305 > 33 49 Mg 0.25000000000000 0.00000000000000 0.25000000000000 24.305 > 33 50 Mg 0.75000000000000 0.00000000000000 0.25000000000000 24.305 > 33 51 Mg 0.25000000000000 0.50000000000000 0.25000000000000 24.305 > 33 52 Mg 0.75000000000000 0.50000000000000 0.25000000000000 24.305 > 33 53 Mg 0.25000000000000 0.00000000000000 0.75000000000000 24.305 > 33 54 Mg 0.75000000000000 0.00000000000000 0.75000000000000 24.305 > 33 55 Mg 0.25000000000000 0.50000000000000 0.75000000000000 24.305 > 33 56 Mg 0.75000000000000 0.50000000000000 0.75000000000000 24.305 > 33 57 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 33 58 Mg 0.75000000000000 0.25000000000000 0.00000000000000 24.305 > 33 59 Mg 0.25000000000000 0.75000000000000 0.00000000000000 24.305 > 33 60 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 33 61 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 33 62 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 33 63 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 33 64 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2398603 0.0000000 0.0000000 0.0000000 3.2398603 0.0000000 0.0000000 0.0000000 3.2398603 -------------------------- Born effective charges -------------------------- 1 O -1.9790034 0.0000000 0.0000000 0.0000000 -1.9790034 0.0000000 0.0000000 0.0000000 -1.9790034 2 Mg 1.9790034 0.0000000 0.0000000 0.0000000 1.9790034 0.0000000 0.0000000 0.0000000 1.9790034 ---------------------------------------------------------------------------- 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: -0.00000033 (yyy) -0.00000033 (yyy) -0.00000033 (yyy) 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 18:47:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:47:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: Fm-3m (225) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 2.108629700000000 2.108629700000000 b 2.108629700000000 0.000000000000000 2.108629700000000 c 2.108629700000000 2.108629700000000 0.000000000000000 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.434518799999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.434518799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.434518799999999 Atomic positions (fractional): 1 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 1 3 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 1 4 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 1 5 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 1 6 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 1 7 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 1 8 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 1 9 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 1 10 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 1 11 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 1 12 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 1 13 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 1 14 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 1 15 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 1 16 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 1 17 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 1 21 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 1 22 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 1 23 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 1 24 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 1 25 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 1 26 O 0.50000000000000 0.25000000000000 0.00000000000000 15.999 > 1 27 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 1 28 O 0.50000000000000 0.75000000000000 0.00000000000000 15.999 > 1 29 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 1 30 O 0.50000000000000 0.25000000000000 0.50000000000000 15.999 > 1 31 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 1 32 O 0.50000000000000 0.75000000000000 0.50000000000000 15.999 > 1 33 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 33 34 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 33 35 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 33 36 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 33 37 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 33 38 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 33 39 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 33 40 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 33 41 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 33 42 Mg 0.50000000000000 0.25000000000000 0.25000000000000 24.305 > 33 43 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 33 44 Mg 0.50000000000000 0.75000000000000 0.25000000000000 24.305 > 33 45 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 33 46 Mg 0.50000000000000 0.25000000000000 0.75000000000000 24.305 > 33 47 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 33 48 Mg 0.50000000000000 0.75000000000000 0.75000000000000 24.305 > 33 49 Mg 0.25000000000000 0.00000000000000 0.25000000000000 24.305 > 33 50 Mg 0.75000000000000 0.00000000000000 0.25000000000000 24.305 > 33 51 Mg 0.25000000000000 0.50000000000000 0.25000000000000 24.305 > 33 52 Mg 0.75000000000000 0.50000000000000 0.25000000000000 24.305 > 33 53 Mg 0.25000000000000 0.00000000000000 0.75000000000000 24.305 > 33 54 Mg 0.75000000000000 0.00000000000000 0.75000000000000 24.305 > 33 55 Mg 0.25000000000000 0.50000000000000 0.75000000000000 24.305 > 33 56 Mg 0.75000000000000 0.50000000000000 0.75000000000000 24.305 > 33 57 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 33 58 Mg 0.75000000000000 0.25000000000000 0.00000000000000 24.305 > 33 59 Mg 0.25000000000000 0.75000000000000 0.00000000000000 24.305 > 33 60 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 33 61 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 33 62 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 33 63 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 33 64 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2398603 0.0000000 0.0000000 0.0000000 3.2398603 0.0000000 0.0000000 0.0000000 3.2398603 -------------------------- Born effective charges -------------------------- 1 O -1.9790034 0.0000000 0.0000000 0.0000000 -1.9790034 0.0000000 0.0000000 0.0000000 -1.9790034 2 Mg 1.9790034 0.0000000 0.0000000 0.0000000 1.9790034 0.0000000 0.0000000 0.0000000 1.9790034 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000033 (yyy) -0.00000033 (yyy) -0.00000033 (yyy) 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 ... [ 21 21 21 ] 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: 1.56, Number of G-points: 307, Lambda: 0.29 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/286) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 286 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 11.729 ( 0.000 0.000 0.000) 0.000 11.729 ( 0.000 0.000 0.000) 0.000 11.729 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/286) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -32.543 32.543 32.543) 56.367 1.112 ( -32.543 32.543 32.543) 56.367 1.927 ( -56.656 56.656 56.656) 98.132 11.714 ( 0.878 -0.878 -0.878) 1.521 11.714 ( 0.878 -0.878 -0.878) 1.521 20.771 ( 2.322 -2.322 -2.322) 4.022 ======================= Grid point 2 (3/286) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -31.341 31.341 31.341) 54.284 2.196 ( -31.341 31.341 31.341) 54.284 3.831 ( -55.610 55.610 55.610) 96.319 11.672 ( 1.575 -1.575 -1.575) 2.729 11.672 ( 1.575 -1.575 -1.575) 2.729 20.654 ( 4.552 -4.552 -4.552) 7.884 ======================= Grid point 3 (4/286) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( -29.584 29.584 29.584) 51.241 3.229 ( -29.584 29.584 29.584) 51.241 5.688 ( -53.934 53.934 53.934) 93.417 11.610 ( 2.044 -2.044 -2.044) 3.541 11.610 ( 2.044 -2.044 -2.044) 3.541 20.464 ( 6.665 -6.665 -6.665) 11.544 ======================= Grid point 4 (5/286) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.197 ( -27.546 27.546 27.546) 47.710 4.197 ( -27.546 27.546 27.546) 47.710 7.478 ( -51.693 51.693 51.693) 89.535 11.535 ( 2.417 -2.417 -2.417) 4.186 11.535 ( 2.417 -2.417 -2.417) 4.186 20.203 ( 8.726 -8.726 -8.726) 15.114 ======================= Grid point 5 (6/286) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.094 ( -25.431 25.431 25.431) 44.048 5.094 ( -25.431 25.431 25.431) 44.048 9.184 ( -48.928 48.928 48.928) 84.745 11.445 ( 2.929 -2.929 -2.929) 5.074 11.445 ( 2.929 -2.929 -2.929) 5.074 19.872 ( 10.859 -10.859 -10.859) 18.808 ======================= Grid point 6 (7/286) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.920 ( -23.265 23.265 23.265) 40.296 5.920 ( -23.265 23.265 23.265) 40.296 10.787 ( -45.663 45.663 45.663) 79.090 11.332 ( 3.751 -3.751 -3.751) 6.497 11.332 ( 3.751 -3.751 -3.751) 6.497 19.465 ( 13.186 -13.186 -13.186) 22.838 ======================= Grid point 7 (8/286) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.668 ( -20.824 20.824 20.824) 36.068 6.668 ( -20.824 20.824 20.824) 36.068 11.188 ( 4.805 -4.805 -4.805) 8.323 11.188 ( 4.805 -4.805 -4.805) 8.323 12.272 ( -41.939 41.939 41.939) 72.640 18.976 ( 15.780 -15.780 -15.780) 27.331 ======================= Grid point 8 (9/286) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.321 ( -17.582 17.582 17.582) 30.454 7.321 ( -17.582 17.582 17.582) 30.454 11.009 ( 5.623 -5.623 -5.623) 9.739 11.009 ( 5.623 -5.623 -5.623) 9.739 13.624 ( -37.831 37.831 37.831) 65.524 18.393 ( 18.645 -18.645 -18.645) 32.293 ======================= Grid point 9 (10/286) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.839 ( -12.607 12.607 12.607) 21.836 7.839 ( -12.607 12.607 12.607) 21.836 10.821 ( 5.206 -5.206 -5.206) 9.017 10.821 ( 5.206 -5.206 -5.206) 9.017 14.831 ( -33.324 33.324 33.324) 57.720 17.711 ( 21.612 -21.612 -21.612) 37.432 ======================= Grid point 10 (11/286) ======================= q-point: ( 0.48 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.143 ( -4.806 4.806 4.806) 8.323 8.143 ( -4.806 4.806 4.806) 8.323 10.686 ( 2.299 -2.299 -2.299) 3.982 10.686 ( 2.299 -2.299 -2.299) 3.982 15.858 ( -25.846 25.846 25.846) 44.767 16.949 ( 21.908 -21.908 -21.908) 37.947 ======================= Grid point 22 (12/286) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.000 -0.000 61.827) 61.827 1.413 ( 0.000 -0.000 61.827) 61.827 2.056 ( 0.000 -0.000 90.323) 90.323 11.760 ( 0.000 -0.000 2.730) 2.730 11.760 ( 0.000 -0.000 2.730) 2.730 20.700 ( -0.000 0.000 -9.758) 9.758 ======================= Grid point 23 (13/286) ======================= q-point: ( 0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -9.415 9.415 56.946) 58.482 2.261 ( -13.374 13.374 55.578) 58.708 3.525 ( -35.716 35.716 77.809) 92.765 11.722 ( 5.220 -5.220 3.233) 8.059 11.776 ( 1.973 -1.973 4.061) 4.927 20.583 ( -0.940 0.940 -13.849) 13.913 ======================= Grid point 24 (14/286) ======================= q-point: ( 0.14 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( -16.927 16.927 49.117) 54.640 3.204 ( -17.458 17.458 48.431) 54.361 5.256 ( -43.636 43.636 67.590) 91.523 11.626 ( 5.570 -5.570 1.787) 8.077 11.765 ( 3.711 -3.711 5.357) 7.499 20.417 ( 0.691 -0.691 -16.298) 16.327 ======================= Grid point 25 (15/286) ======================= q-point: ( 0.19 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.020 ( -19.209 19.209 43.698) 51.454 4.125 ( -18.486 18.486 42.214) 49.654 6.993 ( -46.058 46.058 59.921) 88.505 11.518 ( 4.933 -4.933 0.145) 6.977 11.731 ( 5.205 -5.205 6.462) 9.795 20.183 ( 2.812 -2.812 -18.105) 18.536 ======================= Grid point 26 (16/286) ======================= q-point: ( 0.24 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.927 ( -19.085 19.085 40.066) 48.309 4.987 ( -18.419 18.419 36.575) 44.903 8.677 ( -46.274 46.274 53.300) 84.401 11.407 ( 4.402 -4.402 -1.086) 6.320 11.674 ( 6.617 -6.617 7.116) 11.756 19.880 ( 5.090 -5.090 -19.754) 21.024 ======================= Grid point 27 (17/286) ======================= q-point: ( 0.29 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.781 ( -17.968 17.968 31.312) 40.325 5.782 ( -17.803 17.803 37.337) 45.032 10.278 ( -45.159 45.159 47.019) 79.306 11.292 ( 4.402 -4.402 -1.706) 6.455 11.589 ( 8.138 -8.138 7.072) 13.509 19.505 ( 7.577 -7.577 -21.455) 23.982 ======================= Grid point 28 (18/286) ======================= q-point: ( 0.33 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.504 ( -17.235 17.235 26.261) 35.830 6.569 ( -15.766 15.766 34.678) 41.227 11.161 ( 4.777 -4.777 -2.083) 7.069 11.462 ( 9.788 -9.788 6.242) 15.184 11.779 ( -42.802 42.802 41.349) 73.306 19.051 ( 10.353 -10.353 -23.315) 27.530 ======================= Grid point 29 (19/286) ======================= q-point: ( 0.38 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.148 ( -15.879 15.879 21.173) 30.863 7.267 ( -12.871 12.871 31.099) 36.035 11.019 ( 6.058 -6.058 -0.875) 8.612 11.287 ( 11.247 -11.247 4.792) 16.611 13.152 ( -40.226 40.226 35.389) 66.998 18.508 ( 13.448 -13.448 -25.342) 31.685 ======================= Grid point 30 (20/286) ======================= q-point: ( 0.43 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.688 ( -13.110 13.110 15.645) 24.260 7.834 ( -8.558 8.558 25.263) 28.012 10.880 ( 6.758 -6.758 2.698) 9.931 11.069 ( 11.709 -11.709 3.191) 16.864 14.389 ( -36.845 36.845 29.329) 59.794 17.869 ( 16.787 -16.787 -27.364) 36.227 ======================= Grid point 31 (21/286) ======================= q-point: ( 0.48 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.069 ( -7.623 7.623 9.137) 14.132 8.194 ( -1.992 1.992 16.005) 16.251 10.799 ( 5.977 -5.977 9.746) 12.901 10.850 ( 9.760 -9.760 2.169) 13.972 15.466 ( -32.142 32.142 21.795) 50.410 17.140 ( 19.412 -19.412 -27.891) 39.136 ======================= Grid point 32 (22/286) ======================= q-point: (-0.48 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.205 ( 1.475 -1.475 1.511) 2.575 8.264 ( 6.402 -6.402 5.273) 10.477 10.709 ( 4.331 -4.331 2.142) 6.489 10.847 ( 3.844 -3.844 18.364) 19.152 15.995 ( 8.064 -8.064 -21.968) 24.752 16.699 ( -13.105 13.105 7.997) 20.185 ======================= Grid point 33 (23/286) ======================= q-point: (-0.43 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.030 ( 11.518 -11.518 -5.772) 17.281 8.043 ( 14.139 -14.139 -2.078) 20.103 10.711 ( -2.110 2.110 1.986) 3.585 11.021 ( 2.525 -2.525 23.773) 24.040 15.128 ( 27.915 -27.915 -37.169) 54.222 17.390 ( -25.126 25.126 15.725) 38.858 ======================= Grid point 34 (24/286) ======================= q-point: (-0.38 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.585 ( 18.688 -18.688 -11.239) 28.720 7.609 ( 20.087 -20.087 -5.041) 28.852 10.823 ( -5.923 5.923 0.607) 8.398 11.241 ( 2.840 -2.840 25.027) 25.348 13.992 ( 33.589 -33.589 -40.377) 62.343 18.094 ( -23.022 23.022 12.126) 34.743 ======================= Grid point 35 (25/286) ======================= q-point: (-0.33 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.961 ( 22.950 -22.950 -15.149) 35.817 7.041 ( 24.795 -24.795 -5.366) 35.473 10.970 ( -7.187 7.187 -1.352) 10.254 11.443 ( 3.977 -3.977 23.880) 24.534 12.707 ( 38.578 -38.578 -42.778) 69.329 18.702 ( -20.454 20.454 8.708) 30.208 ======================= Grid point 36 (26/286) ======================= q-point: (-0.29 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.222 ( 25.629 -25.629 -18.058) 40.494 6.377 ( 28.898 -28.898 -4.519) 41.118 11.109 ( -7.240 7.240 -2.969) 10.661 11.288 ( 43.330 -43.330 -44.262) 75.592 11.598 ( 5.105 -5.105 21.633) 22.806 19.217 ( -17.987 17.987 5.775) 26.085 ======================= Grid point 37 (27/286) ======================= q-point: (-0.24 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.403 ( 27.695 -27.695 -20.129) 44.036 5.636 ( 32.768 -32.768 -3.367) 46.463 9.754 ( 47.911 -47.911 -44.628) 81.133 11.231 ( -6.911 6.911 -3.752) 10.469 11.705 ( 5.729 -5.729 19.090) 20.738 19.648 ( -15.679 15.679 3.364) 22.427 ======================= Grid point 38 (28/286) ======================= q-point: (-0.19 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.521 ( 29.737 -29.737 -21.102) 47.052 4.822 ( 36.520 -36.520 -2.303) 51.699 8.124 ( 52.370 -52.370 -43.159) 85.720 11.340 ( -6.499 6.499 -3.607) 9.874 11.774 ( 5.727 -5.727 16.199) 18.111 20.004 ( -13.467 13.467 1.473) 19.102 ======================= Grid point 39 (29/286) ======================= q-point: (-0.14 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( 32.093 -32.093 -20.147) 49.658 3.936 ( 40.025 -40.025 -1.279) 56.619 6.425 ( 56.905 -56.905 -38.728) 89.309 11.445 ( -5.963 5.963 -2.722) 8.861 11.814 ( 5.156 -5.156 12.652) 14.603 20.291 ( -11.215 11.215 0.115) 15.860 ======================= Grid point 40 (30/286) ======================= q-point: (-0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 34.862 -34.862 -15.179) 51.586 2.991 ( 42.851 -42.851 -0.146) 60.600 4.699 ( 61.805 -61.805 -28.063) 91.800 11.547 ( -5.107 5.107 -1.421) 7.361 11.824 ( 4.137 -4.137 7.645) 9.627 20.514 ( -8.740 8.740 -0.533) 12.372 ======================= Grid point 41 (31/286) ======================= q-point: (-0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 1331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 37.247 -37.247 0.000) 52.676 2.005 ( 44.162 -44.162 0.000) 62.455 3.063 ( 66.339 -66.339 0.000) 93.817 11.640 ( -3.782 3.782 0.000) 5.349 11.792 ( 2.783 -2.783 0.000) 3.935 20.676 ( -5.931 5.931 0.000) 8.388 ======================= Grid point 44 (32/286) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 0.000 -0.000 58.556) 58.556 2.776 ( 0.000 -0.000 58.556) 58.556 4.064 ( 0.000 -0.000 87.165) 87.165 11.851 ( 0.000 -0.000 5.261) 5.261 11.851 ( 0.000 -0.000 5.261) 5.261 20.374 ( -0.000 0.000 -18.932) 18.932 ======================= Grid point 45 (33/286) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( -4.736 4.736 56.367) 56.763 3.511 ( -7.555 7.555 54.194) 55.237 5.313 ( -23.493 23.493 79.170) 85.859 11.835 ( 6.587 -6.587 6.456) 11.334 11.895 ( 1.915 -1.915 6.422) 6.970 20.165 ( -2.087 2.087 -22.910) 23.099 ======================= Grid point 46 (34/286) ======================= q-point: ( 0.19 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.260 ( -9.898 9.898 53.004) 54.822 4.305 ( -11.106 11.106 48.060) 50.562 6.805 ( -33.557 33.557 68.563) 83.385 11.730 ( 8.929 -8.929 6.942) 14.409 11.910 ( 3.671 -3.671 7.470) 9.097 19.937 ( -1.873 1.873 -25.698) 25.834 ======================= Grid point 47 (35/286) ======================= q-point: ( 0.24 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.082 ( -12.583 12.583 41.798) 45.429 5.095 ( -12.355 12.355 49.678) 52.661 8.341 ( -38.345 38.345 58.653) 79.880 11.602 ( 9.117 -9.117 6.962) 14.652 11.897 ( 5.355 -5.355 8.210) 11.170 19.663 ( -0.299 0.299 -27.513) 27.516 ======================= Grid point 48 (36/286) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.811 ( -13.103 13.103 35.825) 40.334 5.925 ( -12.681 12.681 46.746) 50.068 9.845 ( -40.474 40.474 49.337) 75.568 11.480 ( 8.805 -8.805 7.311) 14.440 11.851 ( 7.161 -7.161 8.413) 13.166 19.326 ( 1.980 -1.980 -28.870) 29.006 ======================= Grid point 49 (37/286) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.481 ( -13.157 13.157 30.189) 35.463 6.713 ( -11.599 11.599 43.704) 46.681 11.224 ( -26.619 26.619 28.190) 47.030 11.419 ( -5.485 5.485 20.773) 22.174 11.760 ( 9.209 -9.209 7.940) 15.253 18.918 ( 4.754 -4.754 -30.091) 30.833 ======================= Grid point 50 (38/286) ======================= q-point: ( 0.38 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.085 ( -12.725 12.725 24.747) 30.599 7.423 ( -9.332 9.332 39.659) 41.797 11.245 ( 8.923 -8.923 9.628) 15.872 11.611 ( 11.364 -11.364 6.857) 17.472 12.629 ( -39.787 39.787 33.427) 65.448 18.429 ( 7.951 -7.951 -31.287) 33.246 ======================= Grid point 51 (39/286) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.607 ( -11.351 11.351 19.209) 25.034 8.011 ( -5.591 5.591 33.486) 34.407 11.167 ( 9.554 -9.554 14.212) 19.609 11.403 ( 13.108 -13.108 5.463) 19.326 13.845 ( -38.247 38.247 25.389) 59.751 17.851 ( 11.466 -11.466 -32.288) 36.131 ======================= Grid point 52 (40/286) ======================= q-point: ( 0.48 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.015 ( -8.122 8.122 13.180) 17.483 8.406 ( 0.190 -0.190 24.621) 24.622 11.153 ( 9.068 -9.068 21.496) 25.031 11.154 ( 13.414 -13.414 4.272) 19.445 14.917 ( -35.209 35.209 16.378) 52.418 17.188 ( 14.679 -14.679 -31.855) 38.023 ======================= Grid point 53 (41/286) ======================= q-point: ( 0.52 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.245 ( -1.770 1.770 6.370) 6.844 8.542 ( 7.694 -7.694 15.260) 18.741 10.918 ( 10.820 -10.820 3.795) 15.766 11.253 ( 7.589 -7.589 29.240) 31.148 15.683 ( -18.662 18.662 -8.602) 27.758 16.587 ( 5.127 -5.127 -14.839) 16.515 ======================= Grid point 54 (42/286) ======================= q-point: (-0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.214 ( 7.674 -7.674 -0.618) 10.870 8.418 ( 15.101 -15.101 9.326) 23.303 10.777 ( 5.121 -5.121 3.736) 8.150 11.453 ( 6.576 -6.576 33.470) 34.738 15.232 ( 19.320 -19.320 -40.139) 48.556 16.954 ( -25.396 25.396 9.617) 37.181 ======================= Grid point 55 (43/286) ======================= q-point: (-0.38 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.893 ( 16.818 -16.818 -6.150) 24.567 8.096 ( 21.295 -21.295 7.472) 31.029 10.767 ( -0.528 0.528 2.849) 2.945 11.686 ( 6.765 -6.765 33.426) 34.768 14.218 ( 27.729 -27.729 -42.701) 57.975 17.640 ( -26.097 26.097 6.359) 37.451 ======================= Grid point 56 (44/286) ======================= q-point: (-0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.345 ( 23.116 -23.116 -9.679) 34.093 7.641 ( 26.447 -26.447 7.980) 38.243 10.843 ( -3.758 3.758 1.028) 5.413 11.887 ( 7.617 -7.617 30.579) 32.420 13.038 ( 33.601 -33.601 -43.261) 64.262 18.260 ( -24.175 24.175 2.888) 34.310 ======================= Grid point 57 (45/286) ======================= q-point: (-0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.654 ( 27.071 -27.071 -11.679) 40.026 7.089 ( 30.962 -30.962 9.167) 44.736 10.947 ( -5.153 5.153 -0.776) 7.329 11.730 ( 38.804 -38.804 -42.400) 69.349 12.029 ( 8.678 -8.678 26.327) 29.047 18.798 ( -21.872 21.872 0.311) 30.934 ======================= Grid point 58 (46/286) ======================= q-point: (-0.24 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.873 ( 29.772 -29.772 -12.365) 43.883 6.451 ( 35.050 -35.050 9.751) 50.518 10.325 ( 44.367 -44.367 -39.337) 74.056 11.055 ( -5.739 5.739 -1.856) 8.326 12.103 ( 8.720 -8.720 21.274) 24.589 19.258 ( -19.482 19.482 -1.262) 27.581 ======================= Grid point 59 (47/286) ======================= q-point: (-0.19 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.040 ( 31.938 -31.938 -11.421) 46.589 5.724 ( 38.638 -38.638 8.729) 55.335 8.851 ( 49.749 -49.749 -32.693) 77.581 11.166 ( -6.036 6.036 -1.972) 8.762 12.118 ( 8.233 -8.233 15.365) 19.278 19.653 ( -17.024 17.024 -1.790) 24.142 ======================= Grid point 60 (48/286) ======================= q-point: (-0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( 33.888 -33.888 -7.911) 48.573 4.900 ( 41.387 -41.387 5.340) 58.774 7.360 ( 55.180 -55.180 -20.489) 80.682 11.285 ( -6.131 6.131 -1.246) 8.760 12.079 ( 7.118 -7.118 8.355) 13.082 19.990 ( -14.438 14.438 -1.286) 20.458 ======================= Grid point 61 (49/286) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 1331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( 35.386 -35.386 0.000) 50.043 3.976 ( 42.933 -42.933 0.000) 60.717 5.931 ( 60.077 -60.077 0.000) 84.962 11.414 ( -5.881 5.881 0.000) 8.316 11.982 ( 5.672 -5.672 0.000) 8.021 20.277 ( -11.683 11.683 0.000) 16.522 ======================= Grid point 66 (50/286) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( 0.000 -0.000 53.423) 53.423 4.044 ( 0.000 -0.000 53.423) 53.423 5.976 ( 0.000 -0.000 81.863) 81.863 11.995 ( 0.000 -0.000 7.394) 7.394 11.995 ( 0.000 -0.000 7.394) 7.394 19.854 ( -0.000 0.000 -26.884) 26.884 ======================= Grid point 67 (51/286) ======================= q-point: ( 0.19 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.683 ( -4.683 4.683 49.209) 49.653 4.689 ( -5.112 5.112 51.034) 51.543 7.061 ( -15.680 15.680 74.977) 78.187 12.006 ( 6.452 -6.452 8.615) 12.549 12.062 ( 1.865 -1.865 8.274) 8.684 19.562 ( -2.506 2.506 -30.108) 30.316 ======================= Grid point 68 (52/286) ======================= q-point: ( 0.24 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.346 ( -7.250 7.250 43.676) 44.864 5.422 ( -9.348 9.348 49.193) 50.939 8.316 ( -24.824 24.824 64.540) 73.470 11.924 ( 9.641 -9.641 10.061) 16.944 12.097 ( 3.680 -3.680 8.948) 10.351 19.276 ( -3.161 3.161 -32.450) 32.756 ======================= Grid point 69 (53/286) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.986 ( -8.565 8.565 37.857) 39.748 6.204 ( -11.110 11.110 47.613) 50.139 9.611 ( -30.510 30.510 53.109) 68.426 11.817 ( 10.493 -10.493 11.795) 18.956 12.096 ( 5.596 -5.596 9.233) 12.160 18.963 ( -2.144 2.144 -33.937) 34.072 ======================= Grid point 70 (54/286) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.583 ( -9.221 9.221 32.176) 34.718 6.981 ( -10.630 10.630 45.825) 48.228 10.869 ( -33.186 33.186 40.393) 61.921 11.734 ( 9.554 -9.554 15.436) 20.514 12.049 ( 7.785 -7.785 8.978) 14.206 18.600 ( 0.002 -0.002 -34.874) 34.874 ======================= Grid point 71 (55/286) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.127 ( -9.424 9.424 26.709) 29.849 7.702 ( -8.380 8.380 42.935) 44.541 11.584 ( 5.638 -5.638 15.784) 17.683 11.943 ( 10.258 -10.258 8.175) 16.652 12.167 ( -31.386 31.386 32.614) 55.080 18.171 ( 2.915 -2.915 -35.464) 35.703 ======================= Grid point 72 (56/286) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.608 ( -8.981 8.981 21.319) 24.816 8.309 ( -4.488 4.488 37.943) 38.470 11.595 ( 9.600 -9.600 21.181) 25.158 11.769 ( 12.727 -12.727 7.002) 19.313 13.263 ( -36.107 36.107 22.134) 55.654 17.665 ( 6.321 -6.321 -35.581) 36.687 ======================= Grid point 73 (57/286) ======================= q-point: ( 0.48 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.004 ( -7.314 7.314 15.762) 18.853 8.739 ( 1.121 -1.121 30.686) 30.727 11.531 ( 14.508 -14.508 5.800) 21.321 11.657 ( 9.532 -9.532 28.747) 31.750 14.265 ( -35.533 35.533 10.847) 51.409 17.088 ( 9.607 -9.607 -34.151) 36.754 ======================= Grid point 74 (58/286) ======================= q-point: ( 0.52 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.276 ( -3.460 3.460 9.822) 10.973 8.941 ( 7.951 -7.951 23.302) 25.873 11.259 ( 14.455 -14.455 4.963) 21.036 11.815 ( 8.921 -8.921 35.742) 37.904 15.048 ( -28.309 28.309 -7.346) 40.704 16.520 ( 7.719 -7.719 -24.433) 26.761 ======================= Grid point 75 (59/286) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.357 ( 3.518 -3.518 3.665) 6.180 8.918 ( 14.754 -14.754 18.765) 28.062 11.015 ( 11.372 -11.372 4.598) 16.727 12.043 ( 8.758 -8.758 38.916) 40.840 15.060 ( 4.516 -4.516 -39.314) 39.829 16.504 ( -18.772 18.772 0.839) 26.561 ======================= Grid point 76 (60/286) ======================= q-point: (-0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.186 ( 12.663 -12.663 -1.662) 17.986 8.717 ( 20.767 -20.767 17.442) 34.158 10.868 ( 5.918 -5.918 4.026) 9.288 12.275 ( 9.357 -9.357 37.467) 39.735 14.269 ( 19.842 -19.842 -44.001) 52.187 17.077 ( -27.036 27.036 1.216) 38.254 ======================= Grid point 77 (61/286) ======================= q-point: (-0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.764 ( 20.786 -20.786 -5.057) 29.828 8.386 ( 26.006 -26.006 17.671) 40.804 10.831 ( 1.008 -1.008 2.603) 2.968 12.450 ( 10.259 -10.259 31.941) 35.082 13.243 ( 27.243 -27.243 -41.915) 56.931 17.689 ( -26.854 26.854 -1.497) 38.007 ======================= Grid point 78 (62/286) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.160 ( 26.360 -26.360 -6.533) 37.847 7.944 ( 30.663 -30.663 17.445) 46.742 10.865 ( -2.022 2.022 0.863) 2.986 12.077 ( 32.393 -32.393 -38.378) 59.762 12.560 ( 11.864 -11.864 25.493) 30.518 18.250 ( -25.052 25.052 -2.933) 35.550 ======================= Grid point 79 (63/286) ======================= q-point: (-0.24 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.447 ( 29.921 -29.921 -6.375) 42.793 7.390 ( 34.764 -34.764 14.888) 51.369 10.866 ( 38.997 -38.997 -31.410) 63.468 10.934 ( -3.770 3.770 -0.353) 5.344 12.554 ( 11.064 -11.064 18.114) 23.936 18.755 ( -22.690 22.690 -2.950) 32.224 ======================= Grid point 80 (64/286) ======================= q-point: (-0.19 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.681 ( 32.221 -32.221 -4.417) 45.780 6.702 ( 38.100 -38.100 8.714) 54.582 9.631 ( 44.956 -44.956 -18.399) 66.185 11.026 ( -4.923 4.923 -0.633) 6.991 12.468 ( 10.135 -10.135 9.200) 17.032 19.211 ( -20.068 20.068 -1.791) 28.437 ======================= Grid point 81 (65/286) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 1331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.908 ( 33.609 -33.609 0.000) 47.530 5.864 ( 40.380 -40.380 0.000) 57.107 8.442 ( 50.664 -50.664 0.000) 71.650 11.143 ( -5.730 5.730 0.000) 8.103 12.307 ( 8.716 -8.716 0.000) 12.326 19.623 ( -17.307 17.307 0.000) 24.476 ======================= Grid point 88 (66/286) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.178 ( 0.000 -0.000 46.876) 46.876 5.178 ( 0.000 -0.000 46.876) 46.876 7.744 ( 0.000 -0.000 74.340) 74.340 12.181 ( 0.000 -0.000 8.937) 8.937 12.181 ( 0.000 -0.000 8.937) 8.937 19.175 ( -0.000 0.000 -32.852) 32.852 ======================= Grid point 89 (67/286) ======================= q-point: ( 0.24 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.722 ( -3.018 3.018 42.589) 42.802 5.765 ( -6.537 6.537 44.056) 45.016 8.674 ( -10.301 10.301 67.354) 68.911 12.218 ( 5.654 -5.654 10.029) 12.826 12.264 ( 1.846 -1.846 9.432) 9.786 18.823 ( -2.592 2.592 -34.867) 35.059 ======================= Grid point 90 (68/286) ======================= q-point: ( 0.29 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.264 ( -4.820 4.820 37.467) 38.081 6.460 ( -11.397 11.397 42.448) 45.406 9.692 ( -17.234 17.234 56.699) 61.715 12.177 ( 8.577 -8.577 12.200) 17.204 12.309 ( 3.757 -3.757 9.644) 11.011 18.494 ( -3.563 3.563 -36.193) 36.542 ======================= Grid point 91 (69/286) ======================= q-point: ( 0.33 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.779 ( -5.875 5.875 32.160) 33.216 7.216 ( -13.023 13.023 41.608) 45.502 10.709 ( -22.211 22.211 43.373) 53.552 12.131 ( 8.986 -8.986 16.132) 20.536 12.308 ( 5.906 -5.906 9.443) 12.607 18.156 ( -2.795 2.795 -36.873) 37.085 ======================= Grid point 92 (70/286) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.253 ( -6.473 6.473 26.951) 28.464 7.963 ( -11.391 11.391 40.614) 43.692 11.616 ( -20.044 20.044 25.273) 37.976 12.197 ( 2.099 -2.099 25.263) 25.437 12.251 ( 8.402 -8.402 8.782) 14.775 17.780 ( -0.720 0.720 -37.007) 37.022 ======================= Grid point 93 (71/286) ======================= q-point: ( 0.43 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.677 ( -6.607 6.607 21.866) 23.779 8.622 ( -7.001 7.001 38.196) 39.459 12.004 ( 2.614 -2.614 20.859) 21.184 12.124 ( 11.144 -11.144 7.754) 17.565 12.790 ( -24.750 24.750 22.251) 41.476 17.349 ( 2.171 -2.171 -36.467) 36.596 ======================= Grid point 94 (72/286) ======================= q-point: ( 0.48 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.039 ( -5.948 5.948 16.794) 18.783 9.119 ( -0.628 0.628 33.789) 33.800 11.923 ( 13.720 -13.720 6.577) 20.487 12.182 ( 5.946 -5.946 30.019) 31.175 13.599 ( -30.783 30.783 6.847) 44.068 16.863 ( 5.160 -5.160 -34.409) 35.175 ======================= Grid point 95 (73/286) ======================= q-point: ( 0.52 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.314 ( -3.864 3.864 11.620) 12.841 9.406 ( 6.480 -6.480 28.897) 30.316 11.660 ( 15.348 -15.348 5.523) 22.397 12.421 ( 6.966 -6.966 37.603) 38.872 14.281 ( -29.691 29.691 -10.569) 43.300 16.374 ( 5.481 -5.481 -27.605) 28.672 ======================= Grid point 96 (74/286) ======================= q-point: (-0.43 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.459 ( 0.512 -0.512 6.414) 6.454 9.489 ( 13.132 -13.132 25.737) 31.739 11.371 ( 14.923 -14.923 4.762) 21.635 12.694 ( 8.456 -8.456 40.343) 42.078 14.548 ( -12.393 12.393 -33.937) 38.195 16.144 ( -8.331 8.331 -11.048) 16.152 ======================= Grid point 97 (75/286) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.416 ( 7.634 -7.634 1.708) 10.930 9.407 ( 18.974 -18.974 24.426) 36.286 11.116 ( 11.662 -11.662 4.096) 16.994 12.924 ( 10.249 -10.249 36.712) 39.470 14.110 ( 8.996 -8.996 -42.038) 43.921 16.471 ( -24.454 24.454 -4.491) 34.873 ======================= Grid point 98 (76/286) ======================= q-point: (-0.33 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.148 ( 16.080 -16.080 -1.541) 22.793 9.189 ( 24.172 -24.172 23.165) 41.294 10.949 ( 6.629 -6.629 3.009) 9.845 13.012 ( 12.325 -12.325 14.900) 22.931 13.355 ( 18.924 -18.924 -24.268) 36.127 17.027 ( -28.262 28.262 -4.826) 40.259 ======================= Grid point 99 (77/286) ======================= q-point: (-0.29 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.673 ( 23.244 -23.244 -2.831) 32.994 8.833 ( 28.858 -28.858 19.477) 45.221 10.879 ( 2.111 -2.111 1.519) 3.350 12.332 ( 25.363 -25.363 -31.664) 47.845 13.117 ( 13.833 -13.833 20.721) 28.497 17.611 ( -27.707 27.707 -4.170) 39.405 ======================= Grid point 100 (78/286) ======================= q-point: (-0.24 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.059 ( 28.091 -28.091 -2.306) 39.793 8.313 ( 32.918 -32.918 11.375) 47.923 10.879 ( -1.061 1.061 0.329) 1.536 11.386 ( 32.395 -32.395 -18.564) 49.432 12.993 ( 13.045 -13.045 10.643) 21.299 18.178 ( -25.615 25.615 -2.311) 36.299 ======================= Grid point 101 (79/286) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 1331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.374 ( 30.948 -30.948 0.000) 43.768 7.597 ( 36.069 -36.069 0.000) 51.010 10.473 ( 38.912 -38.912 0.000) 55.030 10.930 ( -3.281 3.281 0.000) 4.641 12.771 ( 11.810 -11.810 0.000) 16.702 18.714 ( -22.943 22.943 0.000) 32.446 ======================= Grid point 110 (80/286) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.154 ( 0.000 -0.000 39.455) 39.455 6.154 ( 0.000 -0.000 39.455) 39.455 9.316 ( 0.000 -0.000 64.419) 64.419 12.393 ( 0.000 -0.000 9.712) 9.712 12.393 ( 0.000 -0.000 9.712) 9.712 18.392 ( -0.000 0.000 -35.874) 35.874 ======================= Grid point 111 (81/286) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.601 ( -1.997 1.997 35.190) 35.304 6.673 ( -8.105 8.105 36.351) 38.115 10.080 ( -6.265 6.265 56.630) 57.319 12.454 ( 4.236 -4.236 10.718) 12.279 12.482 ( 1.868 -1.868 9.751) 10.103 18.014 ( -2.342 2.342 -36.155) 36.306 ======================= Grid point 112 (82/286) ======================= q-point: ( 0.33 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.032 ( -3.276 3.276 30.470) 30.820 7.331 ( -14.222 14.222 34.616) 40.035 10.847 ( -10.343 10.343 44.847) 47.172 12.473 ( 5.717 -5.717 14.039) 16.201 12.526 ( 3.894 -3.894 9.469) 10.954 17.671 ( -3.114 3.114 -35.957) 36.226 ======================= Grid point 113 (83/286) ======================= q-point: ( 0.38 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.433 ( -4.099 4.099 25.689) 26.335 8.072 ( -16.360 16.360 34.013) 41.136 11.533 ( -12.831 12.831 29.021) 34.227 12.516 ( 6.234 -6.234 8.816) 12.467 12.549 ( 4.048 -4.048 20.630) 21.410 17.331 ( -2.212 2.212 -35.347) 35.485 ======================= Grid point 114 (84/286) ======================= q-point: ( 0.43 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.795 ( -4.560 4.560 21.000) 21.968 8.804 ( -13.800 13.800 33.886) 39.105 12.060 ( -11.941 11.941 15.102) 22.654 12.440 ( 8.925 -8.925 7.832) 14.854 12.789 ( -2.458 2.458 25.166) 25.405 16.966 ( -0.131 0.131 -34.179) 34.180 ======================= Grid point 115 (85/286) ======================= q-point: ( 0.48 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.110 ( -4.516 4.516 16.402) 17.602 9.425 ( -6.989 6.989 33.232) 34.671 12.288 ( 11.776 -11.776 6.655) 17.934 12.464 ( -9.069 9.069 17.284) 21.523 13.182 ( -11.381 11.381 13.807) 21.206 16.566 ( 2.331 -2.331 -31.905) 32.075 ======================= Grid point 116 (86/286) ======================= q-point: ( 0.52 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.363 ( -3.584 3.584 11.862) 12.899 9.853 ( 1.764 -1.764 31.783) 31.881 12.060 ( 14.304 -14.304 5.466) 20.954 12.887 ( -4.769 4.769 29.376) 30.140 13.562 ( -18.664 18.664 -8.340) 27.681 16.158 ( 3.415 -3.415 -27.308) 27.732 ======================= Grid point 117 (87/286) ======================= q-point: ( 0.57 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.529 ( -1.167 1.167 7.451) 7.632 10.070 ( 9.738 -9.738 30.317) 33.298 11.774 ( 15.721 -15.721 4.403) 22.665 13.298 ( 4.034 -4.034 38.952) 39.367 13.793 ( -20.229 20.229 -30.759) 42.007 15.857 ( -2.083 2.083 -19.366) 19.589 ======================= Grid point 118 (88/286) ======================= q-point: (-0.38 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.569 ( 3.398 -3.398 3.488) 5.938 10.108 ( 16.228 -16.228 28.464) 36.564 11.466 ( 15.058 -15.058 3.450) 21.573 13.476 ( 6.737 -6.737 5.823) 11.166 13.785 ( -2.211 2.211 -8.748) 9.290 15.896 ( -17.599 17.599 -12.279) 27.753 ======================= Grid point 119 (89/286) ======================= q-point: (-0.33 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.441 ( 10.201 -10.201 0.597) 14.439 9.978 ( 21.674 -21.674 23.907) 38.872 11.191 ( 11.827 -11.827 2.391) 16.896 13.113 ( 8.893 -8.893 -29.997) 32.526 13.761 ( 13.292 -13.292 21.809) 28.792 16.318 ( -27.921 27.921 -7.807) 40.251 ======================= Grid point 120 (90/286) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.122 ( 17.803 -17.803 -0.608) 25.184 9.654 ( 26.317 -26.317 14.022) 39.772 10.997 ( 7.052 -7.052 1.105) 10.034 12.521 ( 17.337 -17.337 -19.559) 31.364 13.634 ( 15.067 -15.067 12.389) 24.647 16.916 ( -29.764 29.764 -3.529) 42.240 ======================= Grid point 121 (91/286) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 1331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.641 ( 24.078 -24.078 0.000) 34.051 9.096 ( 30.073 -30.073 0.000) 42.530 10.896 ( 2.510 -2.510 0.000) 3.550 11.927 ( 25.098 -25.098 0.000) 35.494 13.368 ( 14.492 -14.492 0.000) 20.495 17.555 ( -28.212 28.212 0.000) 39.897 ======================= Grid point 132 (92/286) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.958 ( 0.000 -0.000 31.706) 31.706 6.958 ( 0.000 -0.000 31.706) 31.706 10.633 ( 0.000 -0.000 51.752) 51.752 12.612 ( 0.000 -0.000 9.596) 9.596 12.612 ( 0.000 -0.000 9.596) 9.596 17.586 ( -0.000 0.000 -34.705) 34.705 ======================= Grid point 133 (93/286) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.310 ( -1.368 1.368 27.607) 27.674 7.406 ( -9.549 9.549 28.513) 31.549 11.206 ( -2.762 2.762 42.505) 42.684 12.697 ( 1.923 -1.923 9.162) 9.557 12.698 ( 1.862 -1.862 10.745) 11.063 17.226 ( -1.625 1.625 -32.646) 32.727 ======================= Grid point 134 (94/286) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.639 ( -2.308 2.308 23.308) 23.536 8.023 ( -17.067 17.067 26.666) 35.967 11.687 ( -3.553 3.553 29.084) 29.515 12.730 ( 4.056 -4.056 8.423) 10.191 12.808 ( 0.686 -0.686 15.323) 15.354 16.910 ( -1.644 1.644 -30.453) 30.542 ======================= Grid point 135 (95/286) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.938 ( -2.944 2.944 19.034) 19.484 8.752 ( -20.319 20.319 26.294) 38.950 12.025 ( -4.889 4.889 15.262) 16.755 12.701 ( 6.521 -6.521 7.401) 11.825 13.021 ( -1.609 1.609 19.741) 19.872 16.602 ( -0.239 0.239 -28.196) 28.198 ======================= Grid point 136 (96/286) ======================= q-point: ( 0.48 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.200 ( -3.253 3.253 14.861) 15.557 9.497 ( -17.836 17.836 27.631) 37.413 12.297 ( -9.874 9.874 5.317) 14.943 12.599 ( 9.298 -9.298 6.185) 14.531 13.292 ( -2.153 2.153 19.198) 19.438 16.280 ( 1.854 -1.854 -25.681) 25.815 ======================= Grid point 137 (97/286) ======================= q-point: ( 0.52 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.417 ( -3.035 3.035 10.814) 11.635 10.140 ( -9.234 9.234 30.488) 33.167 12.419 ( 12.144 -12.144 4.898) 17.860 12.614 ( -18.445 18.445 -6.050) 26.778 13.535 ( -0.426 0.426 18.930) 18.940 15.943 ( 3.467 -3.467 -22.886) 23.405 ======================= Grid point 138 (98/286) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.576 ( -1.926 1.926 6.978) 7.491 10.577 ( 2.413 -2.413 32.757) 32.934 12.165 ( 14.567 -14.567 3.645) 20.921 12.935 ( -23.238 23.238 -25.305) 41.477 13.779 ( 0.932 -0.932 28.342) 28.372 15.624 ( 2.315 -2.315 -20.885) 21.140 ======================= Grid point 139 (99/286) ======================= q-point: (-0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.653 ( 0.564 -0.564 3.591) 3.679 10.766 ( 12.426 -12.426 30.039) 34.802 11.853 ( 15.827 -15.827 2.455) 22.517 13.019 ( -14.440 14.440 -34.350) 39.961 14.139 ( 1.581 -1.581 34.622) 34.694 15.420 ( -7.269 7.269 -20.727) 23.136 ======================= Grid point 140 (100/286) ======================= q-point: (-0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.620 ( 4.909 -4.909 1.091) 7.028 10.684 ( 19.223 -19.223 18.140) 32.682 11.520 ( 15.073 -15.073 1.260) 21.353 12.878 ( -2.854 2.854 -22.215) 22.578 14.298 ( 13.026 -13.026 19.216) 26.619 15.607 ( -25.384 25.384 -10.621) 37.437 ======================= Grid point 141 (101/286) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 1331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.447 ( 11.068 -11.068 0.000) 15.653 10.303 ( 23.362 -23.362 0.000) 33.039 11.219 ( 11.885 -11.885 0.000) 16.808 12.691 ( 7.863 -7.863 0.000) 11.119 14.059 ( 15.778 -15.778 0.000) 22.313 16.208 ( -30.454 30.454 0.000) 43.068 ======================= Grid point 154 (102/286) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.587 ( 0.000 -0.000 24.061) 24.061 7.587 ( 0.000 -0.000 24.061) 24.061 11.630 ( 0.000 -0.000 35.973) 35.973 12.819 ( 0.000 -0.000 8.569) 8.569 12.819 ( 0.000 -0.000 8.569) 8.569 16.866 ( -0.000 0.000 -28.055) 28.055 ======================= Grid point 155 (103/286) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.849 ( -0.988 0.988 20.219) 20.267 7.963 ( -10.806 10.806 20.925) 25.912 11.976 ( 0.720 -0.720 25.440) 25.461 12.889 ( 1.991 -1.991 7.707) 8.205 12.932 ( -1.688 1.688 9.749) 10.037 16.583 ( -0.342 0.342 -23.431) 23.436 ======================= Grid point 156 (104/286) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.086 ( -1.715 1.715 16.325) 16.504 8.538 ( -19.731 19.731 19.039) 33.781 12.167 ( 1.649 -1.649 14.213) 14.403 12.901 ( 4.204 -4.204 6.604) 8.886 13.130 ( -4.561 4.561 12.047) 13.666 16.338 ( 0.842 -0.842 -19.460) 19.496 ======================= Grid point 157 (105/286) ======================= q-point: ( 0.48 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.294 ( -2.218 2.218 12.502) 12.889 9.261 ( -24.802 24.802 18.801) 39.797 12.253 ( 0.123 -0.123 5.498) 5.501 12.845 ( 6.730 -6.730 5.326) 10.906 13.385 ( -5.699 5.699 11.924) 14.392 16.095 ( 2.989 -2.989 -16.275) 16.815 ======================= Grid point 158 (106/286) ======================= q-point: ( 0.52 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.467 ( -2.421 2.421 8.812) 9.454 10.053 ( -24.547 24.547 21.315) 40.736 12.290 ( -3.084 3.084 -5.265) 6.837 12.715 ( 9.516 -9.516 3.964) 14.029 13.654 ( -6.026 6.026 12.723) 15.313 15.830 ( 5.367 -5.367 -14.063) 15.981 ======================= Grid point 159 (107/286) ======================= q-point: ( 0.57 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.599 ( -2.134 2.134 5.344) 6.137 10.810 ( -16.326 16.326 28.480) 36.663 12.264 ( -8.337 8.337 -21.879) 24.854 12.505 ( 12.312 -12.312 2.602) 17.605 13.966 ( -7.416 7.416 16.723) 19.740 15.532 ( 7.340 -7.340 -13.551) 17.070 ======================= Grid point 160 (108/286) ======================= q-point: (-0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.680 ( -1.063 1.063 2.293) 2.742 11.324 ( 5.082 -5.082 31.656) 32.461 12.221 ( 14.649 -14.649 1.283) 20.757 12.240 ( -19.844 19.844 -31.596) 42.260 14.384 ( -10.834 10.834 21.123) 26.095 15.189 ( 8.119 -8.119 -16.306) 19.943 ======================= Grid point 161 (109/286) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 1331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.693 ( 1.162 -1.162 0.000) 1.643 11.215 ( 17.170 -17.170 0.000) 24.282 11.881 ( 15.840 -15.840 0.000) 22.401 12.514 ( -16.947 16.947 0.000) 23.966 14.758 ( 14.804 -14.804 0.000) 20.936 14.964 ( -22.543 22.543 0.000) 31.881 ======================= Grid point 176 (110/286) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.047 ( 0.000 -0.000 16.765) 16.765 8.047 ( 0.000 -0.000 16.765) 16.765 12.243 ( 0.000 -0.000 18.365) 18.365 12.993 ( 0.000 -0.000 6.730) 6.730 12.993 ( 0.000 -0.000 6.730) 6.730 16.358 ( -0.000 0.000 -16.442) 16.442 ======================= Grid point 177 (111/286) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.226 ( -0.769 0.769 13.190) 13.235 8.354 ( -11.867 11.867 13.723) 21.678 12.368 ( 2.894 -2.894 10.184) 10.975 13.040 ( 2.053 -2.053 5.541) 6.256 13.118 ( -4.543 4.543 6.351) 9.034 16.193 ( 1.186 -1.186 -11.089) 11.215 ======================= Grid point 178 (112/286) ======================= q-point: ( 0.48 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.379 ( -1.375 1.375 9.634) 9.828 8.884 ( -22.098 22.098 11.614) 33.339 12.371 ( 3.872 -3.872 4.749) 7.248 13.024 ( 4.311 -4.311 4.200) 7.404 13.322 ( -7.407 7.407 5.128) 11.663 16.039 ( 3.432 -3.432 -7.623) 9.038 ======================= Grid point 179 (113/286) ======================= q-point: ( 0.52 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.504 ( -1.814 1.814 6.179) 6.691 9.594 ( -29.305 29.305 10.404) 42.729 12.303 ( 4.702 -4.702 -0.142) 6.652 12.938 ( 6.850 -6.850 2.783) 10.079 13.565 ( -9.378 9.378 4.537) 14.017 15.857 ( 6.160 -6.160 -5.618) 10.366 ======================= Grid point 180 (114/286) ======================= q-point: ( 0.57 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.599 ( -2.012 2.012 2.915) 4.073 10.420 ( -33.271 33.271 9.547) 48.011 12.140 ( 7.231 -7.231 -5.391) 11.561 12.775 ( 9.610 -9.610 1.365) 13.659 13.854 ( -11.610 11.610 4.667) 17.069 15.630 ( 9.059 -9.059 -4.153) 13.468 ======================= Grid point 181 (115/286) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 1331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.660 ( -1.829 1.829 0.000) 2.587 11.271 ( -34.497 34.497 0.000) 48.786 11.867 ( 11.856 -11.856 0.000) 16.767 12.535 ( 12.357 -12.357 0.000) 17.475 14.179 ( -13.949 13.949 0.000) 19.727 15.364 ( 11.748 -11.748 0.000) 16.614 ======================= Grid point 199 (116/286) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.347 ( 0.000 -0.000 9.864) 9.864 8.347 ( 0.000 -0.000 9.864) 9.864 12.490 ( 0.000 -0.000 4.835) 4.835 13.119 ( 0.000 -0.000 4.282) 4.282 13.119 ( 0.000 -0.000 4.282) 4.282 16.119 ( -0.000 0.000 -5.523) 5.523 ======================= Grid point 200 (117/286) ======================= q-point: ( 0.48 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.447 ( -0.655 0.655 6.497) 6.563 8.585 ( -12.649 12.649 6.807) 19.139 12.490 ( 2.755 -2.755 1.937) 4.351 13.136 ( 2.093 -2.093 2.891) 4.138 13.217 ( -4.863 4.863 2.573) 7.343 16.051 ( 2.219 -2.219 -2.689) 4.133 ======================= Grid point 201 (118/286) ======================= q-point: ( 0.52 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.523 ( -1.219 1.219 3.181) 3.618 9.061 ( -23.652 23.652 3.952) 33.681 12.422 ( 4.605 -4.605 0.638) 6.544 13.088 ( 4.366 -4.366 1.439) 6.339 13.386 ( -8.287 8.287 1.100) 11.771 15.949 ( 4.853 -4.853 -1.387) 7.001 ======================= Grid point 202 (119/286) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 1331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.574 ( -1.683 1.683 0.000) 2.380 9.715 ( -31.474 31.474 0.000) 44.511 12.293 ( 7.039 -7.039 0.000) 9.954 12.969 ( 6.888 -6.888 0.000) 9.741 13.613 ( -11.002 11.002 0.000) 15.559 15.801 ( 7.431 -7.431 0.000) 10.509 ======================= Grid point 222 (120/286) ======================= q-point: ( 0.48 0.48 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.495 ( 0.000 -0.000 3.253) 3.253 8.495 ( 0.000 -0.000 3.253) 3.253 12.531 ( 0.000 -0.000 0.167) 0.167 13.184 ( 0.000 -0.000 1.467) 1.467 13.184 ( 0.000 -0.000 1.467) 1.467 16.059 ( -0.000 0.000 -0.749) 0.749 ======================= Grid point 223 (121/286) ======================= q-point: (-0.48 -0.52 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 1331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.521 ( -0.620 0.620 0.000) 0.877 8.662 ( -12.951 12.951 0.000) 18.316 12.505 ( 2.345 -2.345 0.000) 3.317 13.169 ( 2.108 -2.108 0.000) 2.981 13.244 ( -4.547 4.547 0.000) 6.431 16.027 ( 2.532 -2.532 0.000) 3.581 ======================= Grid point 492 (122/286) ======================= q-point: ( 0.14 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 0.000 10.308 54.586) 55.551 3.132 ( 0.000 29.340 52.594) 60.224 4.689 ( 0.000 47.056 75.091) 88.616 11.649 ( -0.000 -13.454 3.641) 13.938 11.884 ( 0.000 2.939 5.364) 6.117 20.403 ( -0.000 -0.070 -17.665) 17.665 ======================= Grid point 493 (123/286) ======================= q-point: ( 0.19 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( -10.582 15.208 48.973) 52.360 4.042 ( 2.716 32.984 48.417) 58.647 6.173 ( -22.185 48.178 67.086) 85.521 11.529 ( -0.746 -14.723 2.990) 15.042 11.947 ( 7.911 4.410 6.664) 11.245 20.181 ( -1.308 -2.730 -20.289) 20.513 ======================= Grid point 494 (124/286) ======================= q-point: ( 0.24 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.471 ( -15.286 17.196 43.793) 49.469 4.902 ( 3.941 33.087 44.315) 55.445 7.745 ( -33.653 47.050 58.842) 82.515 11.406 ( -1.574 -14.609 2.298) 14.873 11.962 ( 13.678 5.400 7.745) 16.620 19.909 ( -1.370 -5.707 -22.297) 23.056 ======================= Grid point 495 (125/286) ======================= q-point: ( 0.29 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.320 ( -16.491 18.008 39.057) 46.062 5.699 ( 3.832 30.932 40.576) 51.165 9.303 ( -39.497 45.146 51.106) 78.803 11.287 ( -1.992 -14.168 1.930) 14.437 11.936 ( 18.106 5.719 8.355) 20.744 19.577 ( -0.418 -8.656 -24.011) 25.527 ======================= Grid point 496 (126/286) ======================= q-point: ( 0.33 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.121 ( -15.318 18.765 33.842) 41.618 6.431 ( 2.462 26.963 37.701) 46.416 10.794 ( -41.555 42.007 42.505) 72.788 11.177 ( -2.264 -13.231 3.316) 13.827 11.868 ( 21.933 5.345 8.343) 24.067 19.178 ( 1.372 -11.605 -25.650) 28.187 ======================= Grid point 497 (127/286) ======================= q-point: ( 0.38 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.843 ( -12.195 19.804 27.402) 35.942 7.104 ( 0.079 21.203 35.615) 41.449 11.048 ( -0.781 -13.427 2.289) 13.643 11.747 ( 25.431 4.428 7.775) 26.959 12.207 ( -42.567 39.245 37.344) 68.897 18.701 ( 3.922 -14.621 -27.316) 31.230 ======================= Grid point 498 (128/286) ======================= q-point: ( 0.43 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.454 ( -8.364 19.586 20.505) 29.564 7.702 ( -1.387 14.590 32.269) 35.442 10.933 ( 0.818 -13.143 4.465) 13.905 11.570 ( 28.255 3.277 7.083) 29.313 13.493 ( -41.860 35.869 30.453) 62.978 18.139 ( 7.164 -17.688 -28.953) 34.676 ======================= Grid point 499 (129/286) ======================= q-point: ( 0.48 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.927 ( -4.851 15.854 13.854) 21.605 8.166 ( 0.676 7.952 25.403) 26.627 10.848 ( 2.083 -11.046 8.357) 14.007 11.354 ( 29.362 2.474 7.448) 30.393 14.642 ( -39.988 31.590 23.213) 55.999 17.487 ( 10.893 -20.474 -30.036) 37.947 ======================= Grid point 500 (130/286) ======================= q-point: ( 0.52 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.208 ( -0.274 6.802 6.633) 9.505 8.415 ( 6.868 1.952 15.847) 17.381 10.832 ( 4.078 -5.175 10.345) 12.265 11.167 ( 25.473 1.610 12.723) 28.519 15.592 ( -34.173 22.363 10.315) 42.122 16.790 ( 11.817 -18.623 -25.155) 33.455 ======================= Grid point 514 (131/286) ======================= q-point: ( 0.19 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.046 ( 0.000 3.111 53.336) 53.427 4.309 ( 0.000 22.452 50.770) 55.513 6.388 ( 0.000 33.201 74.431) 81.500 11.776 ( -0.000 -16.731 7.325) 18.264 12.031 ( 0.000 3.193 7.544) 8.192 19.901 ( -0.000 2.519 -26.394) 26.514 ======================= Grid point 515 (132/286) ======================= q-point: ( 0.24 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.737 ( -8.214 7.219 49.164) 50.365 5.125 ( 3.146 27.229 46.777) 54.217 7.680 ( -17.104 36.479 65.525) 76.921 11.656 ( -0.308 -19.446 7.863) 20.978 12.121 ( 8.014 4.821 8.626) 12.723 19.620 ( -1.944 0.863 -28.887) 28.965 ======================= Grid point 516 (133/286) ======================= q-point: ( 0.29 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.478 ( -11.596 10.174 43.954) 46.582 5.904 ( 4.729 27.843 43.935) 52.229 9.043 ( -28.176 37.645 55.454) 72.706 11.531 ( -0.757 -19.861 8.425) 21.587 12.157 ( 14.362 5.897 9.475) 18.188 19.305 ( -2.585 -1.885 -30.622) 30.788 ======================= Grid point 517 (134/286) ======================= q-point: ( 0.33 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.201 ( -11.009 12.972 37.570) 41.243 6.640 ( 3.905 24.790 42.417) 49.285 10.396 ( -34.795 37.398 44.755) 67.914 11.422 ( -1.135 -19.064 9.994) 21.555 12.143 ( 19.644 6.187 9.896) 22.850 18.940 ( -1.949 -5.093 -31.901) 32.363 ======================= Grid point 518 (135/286) ======================= q-point: ( 0.38 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.857 ( -8.233 15.564 30.488) 35.207 7.330 ( 1.800 19.278 41.091) 45.424 11.273 ( -4.211 -14.449 10.303) 18.239 11.751 ( -35.153 32.548 36.345) 60.133 12.075 ( 24.295 5.703 10.009) 26.888 18.510 ( -0.199 -8.507 -32.932) 34.013 ======================= Grid point 519 (136/286) ======================= q-point: ( 0.43 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.422 ( -5.530 16.488 23.744) 29.431 7.947 ( 0.938 12.988 37.828) 40.006 11.216 ( -0.514 -18.341 12.321) 22.102 11.946 ( 28.725 4.972 10.031) 30.829 12.950 ( -40.058 35.136 27.882) 60.138 18.006 ( 2.519 -11.979 -33.707) 35.861 ======================= Grid point 520 (137/286) ======================= q-point: ( 0.48 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.884 ( -3.381 14.716 17.436) 23.065 8.432 ( 2.868 6.306 31.465) 32.218 11.168 ( 0.861 -17.425 15.317) 23.216 11.776 ( 31.338 3.929 12.072) 33.812 14.054 ( -40.343 32.906 18.492) 55.247 17.422 ( 5.959 -15.178 -33.709) 37.445 ======================= Grid point 521 (138/286) ======================= q-point: ( 0.52 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.209 ( -0.609 9.438 11.068) 14.558 8.715 ( 7.792 -0.651 23.094) 24.382 11.130 ( 5.899 -12.773 13.177) 19.276 11.645 ( 27.402 1.461 20.835) 34.454 14.991 ( -37.660 27.328 5.912) 46.904 16.791 ( 8.384 -15.829 -29.652) 34.642 ======================= Grid point 522 (139/286) ======================= q-point: (-0.43 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.335 ( 4.314 -0.254 4.713) 6.394 8.766 ( 14.845 -6.157 16.001) 22.679 11.026 ( 14.053 -3.793 6.467) 15.928 11.695 ( 16.559 -3.183 32.577) 36.682 15.383 ( -10.313 -2.934 -29.041) 30.957 16.475 ( -12.477 7.764 -2.112) 14.846 ======================= Grid point 523 (140/286) ======================= q-point: (-0.38 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.203 ( 11.521 -11.355 -0.275) 16.178 8.613 ( 22.749 -10.734 11.674) 27.731 10.920 ( 13.422 3.599 3.894) 14.431 11.885 ( 11.432 -5.717 35.942) 38.147 14.708 ( 14.469 -23.967 -42.357) 50.773 16.995 ( -29.775 21.911 5.289) 37.345 ======================= Grid point 524 (141/286) ======================= q-point: (-0.33 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.831 ( 19.506 -18.262 -3.971) 27.014 8.283 ( 29.384 -16.982 10.476) 35.519 10.900 ( 8.913 8.445 2.316) 12.495 12.088 ( 10.288 -7.324 33.906) 36.182 13.695 ( 23.950 -30.027 -42.894) 57.578 17.630 ( -31.039 21.058 1.969) 37.560 ======================= Grid point 525 (142/286) ======================= q-point: (-0.29 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.279 ( 27.122 -21.112 -7.006) 35.077 7.820 ( 33.424 -23.692 11.543) 42.565 10.948 ( 5.356 10.854 0.498) 12.114 12.238 ( 10.579 -8.489 28.138) 31.237 12.542 ( 31.622 -34.129 -40.183) 61.477 18.205 ( -30.109 18.441 -0.755) 35.316 ======================= Grid point 526 (143/286) ======================= q-point: (-0.24 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.602 ( 33.339 -22.064 -8.707) 40.916 7.261 ( 36.312 -29.445 12.283) 48.336 11.013 ( 4.464 7.512 -3.920) 9.577 11.296 ( 38.479 -32.711 -34.637) 61.240 12.322 ( 10.534 -9.326 23.446) 27.343 18.710 ( -28.638 15.387 -2.276) 32.589 ======================= Grid point 527 (144/286) ======================= q-point: (-0.19 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.847 ( 38.119 -22.194 -8.542) 44.929 6.610 ( 39.192 -33.701 10.844) 52.814 9.948 ( 46.426 -41.284 -30.515) 69.217 11.138 ( 3.525 13.795 -1.233) 14.291 12.327 ( 10.153 -8.922 16.472) 21.308 19.151 ( -26.942 12.154 -2.550) 29.667 ======================= Grid point 528 (145/286) ======================= q-point: (-0.14 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.061 ( 42.109 -21.559 -5.973) 47.683 5.854 ( 42.215 -36.057 6.416) 55.887 8.611 ( 54.738 -44.415 -18.224) 72.808 11.252 ( 2.856 14.768 -0.885) 15.067 12.265 ( 9.241 -7.780 8.641) 14.852 19.539 ( -25.059 8.840 -1.672) 26.625 ======================= Grid point 529 (146/286) ======================= q-point: (-0.10 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.293 ( 45.816 -19.576 -0.000) 49.823 4.988 ( 45.364 -35.953 -0.000) 57.883 7.324 ( 62.121 -47.199 -0.000) 78.018 11.385 ( 2.838 15.355 -0.000) 15.615 12.138 ( 7.990 -6.172 -0.000) 10.096 19.881 ( -22.912 5.586 0.000) 23.583 ======================= Grid point 536 (147/286) ======================= q-point: ( 0.24 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.192 ( 0.000 2.329 47.757) 47.814 5.400 ( 0.000 18.935 45.482) 49.266 8.017 ( 0.000 22.875 69.249) 72.930 11.969 ( -0.000 -17.086 9.521) 19.560 12.221 ( 0.000 3.532 9.124) 9.784 19.228 ( -0.000 3.594 -32.726) 32.923 ======================= Grid point 537 (148/286) ======================= q-point: ( 0.29 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.794 ( -5.564 5.746 43.874) 44.597 6.132 ( 0.621 23.679 42.079) 48.288 9.101 ( -12.599 26.224 59.733) 66.442 11.870 ( -0.497 -20.549 10.850) 23.243 12.332 ( 8.081 5.347 9.897) 13.851 18.898 ( -2.259 2.608 -34.540) 34.711 ======================= Grid point 538 (149/286) ======================= q-point: ( 0.33 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.411 ( -5.933 9.251 38.116) 39.669 6.868 ( -0.425 23.485 41.014) 47.264 10.218 ( -22.279 28.036 47.831) 59.751 11.775 ( -1.164 -21.186 13.096) 24.934 12.384 ( 14.948 6.576 10.530) 19.431 18.550 ( -3.231 0.145 -35.674) 35.821 ======================= Grid point 539 (150/286) ======================= q-point: ( 0.38 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.984 ( -3.913 12.339 31.511) 34.066 7.587 ( -1.621 19.423 40.757) 45.178 11.260 ( -25.749 21.071 29.783) 44.655 11.763 ( -5.329 -12.410 21.285) 25.208 12.381 ( 20.865 6.960 11.179) 24.673 18.162 ( -2.779 -3.117 -36.294) 36.533 ======================= Grid point 540 (151/286) ======================= q-point: ( 0.43 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.486 ( -2.124 13.855 25.199) 28.835 8.243 ( -0.999 13.420 38.994) 41.251 11.566 ( -4.855 -18.263 15.419) 24.390 12.303 ( 22.229 10.129 11.584) 27.036 12.490 ( -27.472 24.942 27.142) 45.972 17.719 ( -1.042 -6.691 -36.402) 37.026 ======================= Grid point 541 (152/286) ======================= q-point: ( 0.48 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.910 ( -0.941 13.317 19.323) 23.486 8.770 ( 1.939 6.285 34.570) 35.190 11.570 ( -1.429 -19.809 17.560) 26.510 12.222 ( 29.233 6.396 15.423) 33.665 13.439 ( -36.420 30.207 14.726) 49.556 17.213 ( 1.673 -10.062 -35.526) 36.961 ======================= Grid point 542 (153/286) ======================= q-point: ( 0.52 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.236 ( 0.480 10.393 13.629) 17.146 9.106 ( 6.796 -1.391 28.407) 29.242 11.522 ( 6.859 -15.957 13.464) 21.976 12.191 ( 24.599 2.323 26.144) 35.972 14.283 ( -37.141 28.242 0.617) 46.663 16.669 ( 4.112 -11.632 -31.491) 33.821 ======================= Grid point 543 (154/286) ======================= q-point: ( 0.57 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.425 ( 3.432 4.509 8.041) 9.837 9.230 ( 12.670 -8.263 23.274) 27.758 11.357 ( 16.346 -9.376 7.502) 20.283 12.314 ( 16.336 -3.388 36.171) 39.833 14.807 ( -25.712 13.677 -23.002) 37.112 16.264 ( -3.200 -1.726 -15.672) 16.088 ======================= Grid point 544 (155/286) ======================= q-point: (-0.38 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.423 ( 9.047 -4.150 3.031) 10.405 9.173 ( 18.846 -13.697 20.540) 31.059 11.151 ( 17.953 -3.607 4.799) 18.930 12.520 ( 12.776 -7.103 38.291) 40.986 14.533 ( 1.776 -12.426 -42.070) 43.902 16.470 ( -24.725 18.931 -1.456) 31.174 ======================= Grid point 545 (156/286) ======================= q-point: (-0.33 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.191 ( 16.925 -12.846 -0.752) 21.261 8.966 ( 24.698 -19.114 19.449) 36.791 11.003 ( 14.030 1.798 3.208) 14.504 12.701 ( 12.101 -9.453 34.159) 37.452 13.738 ( 15.639 -22.586 -41.844) 50.056 17.023 ( -31.150 22.999 -2.429) 38.797 ======================= Grid point 546 (157/286) ======================= q-point: (-0.29 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.748 ( 24.986 -18.857 -3.164) 31.463 8.626 ( 29.280 -25.096 18.589) 42.809 10.945 ( 9.144 5.922 1.507) 10.998 12.689 ( 20.408 -19.357 -18.204) 33.505 12.877 ( 16.847 -19.233 7.926) 26.769 17.600 ( -31.851 21.774 -3.717) 38.761 ======================= Grid point 547 (158/286) ======================= q-point: (-0.24 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.152 ( 31.507 -22.176 -4.040) 38.740 8.157 ( 32.731 -30.623 15.714) 47.498 10.951 ( 5.500 7.697 -0.434) 9.470 11.696 ( 33.587 -29.735 -29.858) 53.887 12.820 ( 12.370 -12.224 19.462) 26.100 18.144 ( -30.881 19.038 -3.511) 36.447 ======================= Grid point 548 (159/286) ======================= q-point: (-0.19 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.465 ( 36.215 -23.615 -3.122) 43.347 7.543 ( 35.804 -34.729 9.129) 50.708 10.590 ( 37.549 -34.957 -17.008) 54.048 11.043 ( 7.874 10.824 -0.781) 13.408 12.716 ( 11.699 -11.266 9.760) 18.949 18.648 ( -29.244 15.722 -2.064) 33.266 ======================= Grid point 549 (160/286) ======================= q-point: (-0.14 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.749 ( 39.598 -23.499 -0.000) 46.045 6.768 ( 38.962 -36.644 -0.000) 53.487 9.568 ( 48.165 -40.227 -0.000) 62.754 11.124 ( 3.806 13.517 -0.000) 14.043 12.526 ( 10.593 -9.687 -0.000) 14.355 19.114 ( -27.283 12.234 0.000) 29.901 ======================= Grid point 558 (161/286) ======================= q-point: ( 0.29 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.192 ( 0.000 3.633 40.606) 40.769 6.351 ( 0.000 16.936 38.638) 42.186 9.490 ( 0.000 14.886 60.581) 62.383 12.200 ( -0.000 -15.866 10.878) 19.237 12.437 ( 0.000 3.933 9.923) 10.674 18.445 ( -0.000 3.782 -36.099) 36.296 ======================= Grid point 559 (162/286) ======================= q-point: ( 0.33 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.702 ( -1.394 7.131 36.422) 37.139 7.015 ( -4.594 21.416 35.910) 42.062 10.348 ( -8.617 16.845 49.938) 53.403 12.141 ( -1.132 -18.783 13.127) 22.943 12.562 ( 7.928 5.943 10.385) 14.353 18.086 ( -2.235 2.935 -36.696) 36.881 ======================= Grid point 560 (163/286) ======================= q-point: ( 0.38 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.189 ( 0.147 10.312 30.683) 32.370 7.737 ( -8.178 21.203 35.611) 42.244 11.163 ( -15.829 16.252 34.876) 41.606 12.125 ( -2.574 -17.029 17.901) 24.841 12.630 ( 14.705 7.302 11.313) 19.939 17.724 ( -3.205 0.512 -36.761) 36.904 ======================= Grid point 561 (164/286) ======================= q-point: ( 0.43 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.621 ( 1.357 12.081 24.958) 27.762 8.453 ( -7.794 17.094 35.560) 40.218 11.754 ( -15.459 -0.853 16.705) 22.776 12.308 ( -7.268 3.523 22.069) 23.500 12.669 ( 17.080 7.170 15.572) 24.200 17.334 ( -2.744 -2.734 -36.254) 36.460 ======================= Grid point 562 (165/286) ======================= q-point: ( 0.48 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.993 ( 1.903 12.241 19.590) 23.178 9.071 ( -3.668 9.803 34.190) 35.757 11.933 ( -6.745 -16.278 15.871) 23.714 12.572 ( 18.109 13.736 11.954) 25.681 12.991 ( -18.634 15.506 17.338) 29.804 16.904 ( -1.099 -6.010 -34.773) 35.306 ======================= Grid point 563 (166/286) ======================= q-point: ( 0.52 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.292 ( 2.391 10.724 14.489) 18.184 9.509 ( 2.571 0.848 31.250) 31.367 11.923 ( 5.624 -15.505 12.500) 20.695 12.686 ( 16.694 7.150 25.306) 31.148 13.585 ( -29.489 22.194 -2.122) 36.969 16.449 ( 0.772 -7.969 -31.046) 32.062 ======================= Grid point 564 (167/286) ======================= q-point: ( 0.57 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.498 ( 3.766 7.259 9.607) 12.617 9.740 ( 8.953 -7.519 28.354) 30.670 11.751 ( 16.555 -11.397 7.538) 21.466 12.919 ( 11.947 -0.786 36.210) 38.138 14.038 ( -29.366 19.334 -22.192) 41.577 16.060 ( -1.348 -4.195 -22.131) 22.565 ======================= Grid point 565 (168/286) ======================= q-point: (-0.38 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.573 ( 7.131 1.534 5.131) 8.918 9.791 ( 14.699 -14.203 26.538) 33.497 11.494 ( 20.393 -8.183 4.754) 22.482 13.168 ( 11.488 -6.718 36.815) 39.146 14.074 ( -13.106 2.208 -37.220) 39.522 16.000 ( -15.791 11.447 -10.540) 22.170 ======================= Grid point 566 (169/286) ======================= q-point: (-0.33 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.473 ( 13.134 -6.040 1.538) 14.538 9.692 ( 19.982 -19.816 24.653) 37.413 11.240 ( 18.539 -4.473 2.952) 19.298 13.281 ( 11.414 -9.626 15.743) 21.697 13.648 ( 5.983 -13.607 -22.777) 27.198 16.370 ( -28.539 22.615 -7.041) 37.088 ======================= Grid point 567 (170/286) ======================= q-point: (-0.29 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.174 ( 20.770 -13.643 -0.651) 24.858 9.442 ( 24.705 -25.313 20.372) 40.818 11.057 ( 13.535 -0.066 1.391) 13.606 12.811 ( 16.526 -17.307 -29.915) 38.309 13.431 ( 13.617 -15.145 20.841) 29.139 16.922 ( -32.515 24.489 -5.278) 41.046 ======================= Grid point 568 (171/286) ======================= q-point: (-0.24 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.698 ( 27.799 -19.364 -1.190) 33.899 9.011 ( 28.579 -30.349 11.715) 43.302 10.963 ( 8.553 3.674 0.141) 9.310 12.058 ( 26.342 -22.778 -17.922) 39.165 13.297 ( 13.652 -14.527 11.351) 22.941 17.514 ( -32.587 22.563 -2.722) 39.729 ======================= Grid point 569 (172/286) ======================= q-point: (-0.19 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.105 ( 32.931 -22.647 -0.000) 39.967 8.371 ( 32.093 -33.697 0.000) 46.535 10.933 ( 5.708 3.066 -0.000) 6.479 11.334 ( 34.467 -24.159 -0.000) 42.091 13.052 ( 12.931 -13.238 0.000) 18.506 18.096 ( -31.193 19.313 0.000) 36.688 ======================= Grid point 580 (173/286) ======================= q-point: ( 0.33 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.022 ( 0.000 5.591 32.877) 33.349 7.140 ( 0.000 15.698 31.188) 34.916 10.727 ( 0.000 8.074 48.350) 49.020 12.456 ( -0.000 -12.962 11.722) 17.477 12.662 ( 0.000 4.362 9.811) 10.737 17.628 ( -0.000 3.097 -35.403) 35.538 ======================= Grid point 581 (174/286) ======================= q-point: ( 0.38 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.435 ( 3.248 9.162 28.455) 30.069 7.748 ( -10.674 20.353 29.015) 37.014 11.321 ( -5.002 6.969 35.529) 36.550 12.463 ( -1.567 -13.264 15.268) 20.286 12.796 ( 6.736 6.502 10.266) 13.894 17.276 ( -1.776 1.853 -34.226) 34.322 ======================= Grid point 582 (175/286) ======================= q-point: ( 0.43 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.798 ( 4.524 11.172 23.341) 26.270 8.465 ( -15.268 21.331 28.794) 38.951 11.774 ( -9.806 2.649 19.791) 22.246 12.547 ( -0.104 -7.217 17.336) 18.779 12.909 ( 9.449 7.159 13.961) 18.315 16.929 ( -2.316 -0.787 -32.701) 32.792 ======================= Grid point 583 (176/286) ======================= q-point: ( 0.48 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.112 ( 4.754 11.725 18.486) 22.401 9.187 ( -13.803 17.367 29.501) 36.911 12.071 ( -13.977 -3.498 11.239) 18.273 12.642 ( 8.038 5.094 8.673) 12.875 13.097 ( 3.432 4.772 20.137) 20.978 16.568 ( -1.634 -3.844 -30.605) 30.889 ======================= Grid point 584 (177/286) ======================= q-point: ( 0.52 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.371 ( 4.662 11.024 13.901) 18.344 9.797 ( -7.023 8.371 30.532) 32.428 12.236 ( -4.012 -10.922 10.319) 15.553 12.755 ( -0.683 18.675 0.968) 18.713 13.347 ( -0.841 2.761 16.817) 17.063 16.192 ( -0.378 -6.072 -27.474) 28.140 ======================= Grid point 585 (178/286) ======================= q-point: ( 0.57 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.564 ( 4.932 9.003 9.585) 14.045 10.207 ( 1.919 -2.644 31.101) 31.272 12.137 ( 14.020 -10.836 6.984) 19.046 13.113 ( -21.860 22.206 -6.451) 31.821 13.530 ( 2.225 -0.653 15.314) 15.489 15.840 ( -0.582 -5.211 -23.090) 23.678 ======================= Grid point 586 (179/286) ======================= q-point: (-0.38 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.670 ( 6.376 5.423 5.661) 10.105 10.403 ( 9.678 -11.989 30.292) 33.985 11.881 ( 20.424 -9.853 4.051) 23.035 13.363 ( -20.911 11.534 -34.664) 42.094 13.749 ( 4.573 -1.374 36.012) 36.327 15.620 ( -7.355 3.248 -18.664) 20.322 ======================= Grid point 587 (180/286) ======================= q-point: (-0.33 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.658 ( 9.805 0.040 2.457) 10.108 10.404 ( 15.846 -18.966 25.978) 35.856 11.570 ( 20.804 -8.812 1.791) 22.664 13.170 ( -5.221 -0.407 -32.380) 32.800 14.008 ( 8.496 -10.065 28.450) 31.351 15.728 ( -22.609 18.946 -13.197) 32.315 ======================= Grid point 588 (181/286) ======================= q-point: (-0.29 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.495 ( 15.440 -6.874 0.447) 16.907 10.189 ( 20.893 -24.374 15.252) 35.542 11.277 ( 17.270 -6.022 0.395) 18.294 12.805 ( 6.995 -8.281 -19.583) 22.383 13.963 ( 13.736 -15.986 14.031) 25.320 16.208 ( -31.785 26.249 -5.304) 41.563 ======================= Grid point 589 (182/286) ======================= q-point: (-0.24 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.166 ( 22.098 -13.939 -0.000) 26.127 9.717 ( 24.808 -28.335 0.000) 37.661 11.068 ( 12.565 -1.313 -0.000) 12.634 12.417 ( 17.600 -15.455 -0.000) 23.422 13.696 ( 14.331 -16.065 0.000) 21.529 16.850 ( -33.444 25.553 0.000) 42.089 ======================= Grid point 602 (183/286) ======================= q-point: ( 0.38 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.677 ( 0.000 7.652 25.151) 26.289 7.760 ( 0.000 14.890 23.722) 28.008 11.644 ( 0.000 1.109 32.345) 32.364 12.727 ( 0.000 -7.505 12.087) 14.227 12.873 ( 0.000 4.775 8.764) 9.980 16.886 ( -0.000 1.363 -29.320) 29.352 ======================= Grid point 603 (184/286) ======================= q-point: ( 0.43 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.990 ( 6.966 10.828 20.772) 24.439 8.324 ( -15.911 20.466 21.924) 33.951 11.939 ( -2.093 -2.767 19.599) 19.904 12.801 ( 1.752 -4.721 13.295) 14.217 13.029 ( 1.336 6.627 10.419) 12.420 16.585 ( -0.736 -0.706 -25.983) 26.003 ======================= Grid point 604 (185/286) ======================= q-point: ( 0.48 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.246 ( 7.345 11.724 16.356) 21.422 9.037 ( -21.463 23.257 21.792) 38.424 12.102 ( -5.801 -4.035 10.074) 12.305 12.834 ( 8.863 -1.320 8.333) 12.236 13.248 ( -1.758 6.187 14.294) 15.674 16.292 ( -0.304 -3.645 -22.783) 23.075 ======================= Grid point 605 (186/286) ======================= q-point: ( 0.52 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.458 ( 6.975 11.507 12.190) 18.156 9.790 ( -20.825 20.505 23.927) 37.771 12.233 ( -11.018 -1.616 2.346) 11.380 12.761 ( 13.394 -0.151 2.803) 13.685 13.505 ( -2.240 5.205 15.460) 16.466 15.991 ( 0.967 -6.346 -19.842) 20.854 ======================= Grid point 606 (187/286) ======================= q-point: ( 0.57 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.621 ( 6.552 10.332 8.285) 14.775 10.467 ( -12.887 10.634 29.004) 33.473 12.354 ( -10.783 0.088 -3.882) 11.461 12.607 ( 8.828 2.821 -8.392) 12.503 13.774 ( -1.607 4.790 19.317) 19.966 15.680 ( 2.182 -7.686 -17.939) 19.638 ======================= Grid point 607 (188/286) ======================= q-point: ( 0.62 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.726 ( 6.639 8.110 4.755) 11.509 10.929 ( 0.831 -4.693 32.813) 33.158 12.252 ( 18.041 -9.150 3.227) 20.484 12.563 ( -22.462 15.017 -31.943) 41.838 14.115 ( -2.946 5.402 26.931) 27.625 15.371 ( 1.274 -5.801 -19.222) 20.119 ======================= Grid point 608 (189/286) ======================= q-point: (-0.33 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.755 ( 7.861 4.615 1.863) 9.304 11.047 ( 12.676 -17.123 22.483) 30.973 11.927 ( 20.009 -11.050 -0.187) 22.858 12.639 ( -18.303 12.812 -23.663) 32.543 14.500 ( 3.046 -4.337 29.303) 29.778 15.159 ( -11.695 9.404 -22.211) 26.806 ======================= Grid point 609 (190/286) ======================= q-point: (-0.29 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.686 ( 10.777 -0.416 -0.000) 10.785 10.770 ( 17.977 -22.234 0.000) 28.592 11.580 ( 19.115 -10.251 -0.000) 21.690 12.730 ( -5.268 2.862 0.000) 5.995 14.396 ( 13.883 -16.989 0.000) 21.939 15.525 ( -28.724 26.038 0.000) 38.770 ======================= Grid point 624 (191/286) ======================= q-point: ( 0.43 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.160 ( 0.000 9.605 17.727) 20.162 8.214 ( 0.000 14.359 16.549) 21.910 12.184 ( 0.000 -4.965 16.043) 16.794 12.980 ( 0.000 -1.137 9.571) 9.639 13.052 ( 0.000 5.127 6.885) 8.585 16.345 ( -0.000 -1.279 -17.949) 17.994 ======================= Grid point 625 (192/286) ======================= q-point: ( 0.48 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.377 ( 9.439 11.991 13.555) 20.411 8.739 ( -19.893 21.475 14.892) 32.843 12.250 ( -0.199 -7.084 8.884) 11.365 13.021 ( 7.516 -0.127 6.333) 9.829 13.245 ( -6.324 6.858 7.684) 12.086 16.136 ( 0.787 -4.104 -13.555) 14.184 ======================= Grid point 626 (193/286) ======================= q-point: ( 0.52 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.539 ( 9.097 12.130 9.689) 17.994 9.447 ( -27.138 26.534 14.439) 40.608 12.246 ( -0.983 -6.612 3.023) 7.336 12.958 ( 11.061 -1.879 3.306) 11.696 13.497 ( -7.774 8.226 7.502) 13.579 15.920 ( 2.556 -7.166 -10.430) 12.910 ======================= Grid point 627 (194/286) ======================= q-point: ( 0.57 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.663 ( 8.317 11.460 6.054) 15.400 10.254 ( -30.048 27.328 16.229) 43.739 12.176 ( -0.812 -5.739 -5.958) 8.312 12.805 ( 13.646 -5.114 1.498) 14.650 13.782 ( -8.882 9.940 8.677) 15.906 15.674 ( 4.975 -9.935 -8.640) 14.075 ======================= Grid point 628 (195/286) ======================= q-point: ( 0.62 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.745 ( 7.559 10.057 2.751) 12.878 11.083 ( -26.799 21.997 22.957) 41.582 11.983 ( -1.045 -4.350 -20.103) 20.595 12.574 ( 16.164 -8.125 0.981) 18.118 14.127 ( -11.425 12.662 9.703) 19.622 15.384 ( 7.881 -12.498 -7.637) 16.632 ======================= Grid point 629 (196/286) ======================= q-point: (-0.33 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.779 ( 7.252 7.844 -0.000) 10.683 11.546 ( 12.162 -16.646 0.000) 20.615 11.943 ( -30.398 22.102 0.000) 37.584 12.291 ( 17.500 -7.163 -0.000) 18.910 14.528 ( -16.328 17.272 -0.000) 23.768 15.055 ( 11.330 -15.449 0.000) 19.159 ======================= Grid point 646 (197/286) ======================= q-point: ( 0.48 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.480 ( 0.000 11.291 10.592) 15.481 8.510 ( 0.000 14.033 9.743) 17.083 12.414 ( -0.000 -6.240 5.415) 8.262 13.133 ( 0.000 0.863 4.016) 4.108 13.180 ( 0.000 5.382 4.381) 6.940 16.077 ( -0.000 -3.716 -6.505) 7.492 ======================= Grid point 647 (198/286) ======================= q-point: ( 0.52 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.605 ( 10.834 12.702 6.692) 17.986 8.995 ( -22.576 22.808 7.672) 32.996 12.373 ( 1.508 -7.315 2.712) 7.946 13.110 ( 7.684 -0.655 2.047) 7.978 13.360 ( -8.283 7.942 2.839) 11.821 15.950 ( 2.066 -6.662 -3.909) 7.995 ======================= Grid point 648 (199/286) ======================= q-point: ( 0.57 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.685 ( 9.970 12.376 3.210) 16.213 9.675 ( -31.267 29.646 5.299) 43.412 12.268 ( 3.903 -8.905 -0.163) 9.724 13.002 ( 10.136 -3.403 0.871) 10.727 13.600 ( -10.730 10.724 2.067) 15.310 15.786 ( 4.666 -9.519 -2.374) 10.863 ======================= Grid point 649 (200/286) ======================= q-point: (-0.38 -0.57 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.732 ( 8.778 11.468 -0.000) 14.442 10.455 ( -36.492 32.892 0.000) 49.128 12.081 ( 7.109 -11.698 0.000) 13.689 12.824 ( 12.949 -5.977 -0.000) 14.262 13.882 ( -12.518 12.925 -0.000) 17.993 15.580 ( 7.292 -12.000 0.000) 14.042 ======================= Grid point 669 (201/286) ======================= q-point: ( 0.52 0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.639 ( 0.000 12.348 3.538) 12.845 8.656 ( -0.000 13.878 3.214) 14.245 12.474 ( -0.000 -4.947 0.814) 5.013 13.183 ( 0.000 -0.233 0.855) 0.886 13.247 ( -0.000 5.515 1.501) 5.716 16.004 ( -0.000 -4.909 -1.034) 5.017 ======================= Grid point 670 (202/286) ======================= q-point: (-0.43 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.680 ( 11.285 12.946 -0.000) 17.174 9.082 ( -23.573 23.461 0.000) 33.258 12.399 ( 2.352 -7.013 0.000) 7.397 13.130 ( 6.762 -1.535 -0.000) 6.934 13.390 ( -8.153 8.437 -0.000) 11.733 15.913 ( 2.511 -7.497 0.000) 7.906 ======================= Grid point 983 (203/286) ======================= q-point: ( 0.29 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.344 ( 0.000 12.057 46.095) 47.646 5.985 ( 0.000 31.562 42.324) 52.796 8.698 ( 0.000 35.729 58.875) 68.869 11.518 ( -0.000 -20.426 8.516) 22.130 12.338 ( 0.000 6.840 9.682) 11.855 19.266 ( -0.000 -1.644 -31.026) 31.069 ======================= Grid point 984 (204/286) ======================= q-point: ( 0.33 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.024 ( -4.153 14.995 42.101) 44.884 6.776 ( 5.215 32.259 38.970) 50.858 9.796 ( -15.392 34.066 49.418) 61.964 11.398 ( -0.667 -19.550 9.862) 21.907 12.491 ( 8.892 8.617 10.633) 16.321 18.881 ( -2.028 -5.037 -32.598) 33.047 ======================= Grid point 985 (205/286) ======================= q-point: ( 0.38 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.705 ( -4.909 16.751 36.853) 40.778 7.473 ( 8.770 29.275 36.961) 47.959 10.883 ( -24.658 27.084 33.378) 49.554 11.348 ( -3.418 -12.568 17.286) 21.644 12.571 ( 17.334 9.771 11.317) 22.892 18.459 ( -3.187 -8.770 -33.776) 35.041 ======================= Grid point 986 (206/286) ======================= q-point: ( 0.43 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.327 ( -3.275 17.621 30.155) 35.079 8.075 ( 9.780 23.369 35.399) 43.530 11.187 ( -2.282 -14.236 11.359) 18.355 12.099 ( -33.207 28.812 31.470) 54.066 12.574 ( 24.936 10.142 11.746) 29.371 17.990 ( -3.071 -12.456 -34.544) 36.849 ======================= Grid point 987 (207/286) ======================= q-point: ( 0.48 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.845 ( -0.690 16.825 22.690) 28.256 8.571 ( 9.904 15.809 32.412) 37.397 11.184 ( 0.335 -13.556 15.161) 20.340 12.498 ( 30.771 8.581 12.654) 34.360 13.142 ( -38.936 29.127 20.796) 52.886 17.466 ( -1.561 -15.680 -34.570) 37.992 ======================= Grid point 988 (208/286) ======================= q-point: ( 0.52 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.226 ( 1.755 12.929 15.494) 20.256 8.924 ( 11.477 8.142 26.851) 30.315 11.224 ( 3.007 -9.888 18.577) 21.258 12.367 ( 34.158 6.531 15.088) 37.909 14.083 ( -41.349 25.612 9.382) 49.535 16.899 ( 0.960 -17.377 -32.499) 36.866 ======================= Grid point 989 (209/286) ======================= q-point: ( 0.57 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.434 ( 4.595 5.048 9.192) 11.450 9.098 ( 15.199 2.194 20.455) 25.578 11.290 ( 8.543 -3.813 16.623) 19.075 12.248 ( 31.306 2.669 21.945) 38.325 14.792 ( -36.682 14.293 -9.197) 40.428 16.385 ( -0.246 -11.521 -21.788) 24.648 ======================= Grid point 1005 (210/286) ======================= q-point: ( 0.33 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.340 ( 0.000 9.909 41.581) 42.746 6.880 ( 0.000 28.756 36.662) 46.594 9.951 ( 0.000 24.975 51.323) 57.077 11.758 ( -0.000 -21.272 12.678) 24.763 12.569 ( 0.000 7.631 10.551) 13.022 18.505 ( -0.000 0.288 -35.789) 35.790 ======================= Grid point 1006 (211/286) ======================= q-point: ( 0.38 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.928 ( -1.231 12.822 37.378) 39.535 7.600 ( 1.368 29.425 33.736) 44.786 10.797 ( -11.882 21.426 37.926) 45.151 11.702 ( -1.104 -17.799 17.626) 25.074 12.738 ( 8.932 9.553 11.157) 17.191 18.094 ( -2.190 -3.192 -36.474) 36.679 ======================= Grid point 1007 (212/286) ======================= q-point: ( 0.43 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.479 ( 0.607 14.854 31.212) 34.571 8.266 ( 2.516 25.180 33.033) 41.612 11.386 ( -10.938 -3.577 15.961) 19.677 11.949 ( -13.077 8.930 30.214) 34.112 12.833 ( 17.416 10.575 11.881) 23.586 17.656 ( -3.479 -7.119 -36.616) 37.464 ======================= Grid point 1008 (213/286) ======================= q-point: ( 0.48 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.944 ( 3.089 15.443 24.261) 28.924 8.840 ( 4.343 17.332 32.052) 36.696 11.511 ( -4.089 -13.767 16.724) 22.044 12.684 ( -26.502 22.726 19.155) 39.822 12.856 ( 23.305 9.539 13.977) 28.800 17.184 ( -3.468 -10.772 -35.898) 37.640 ======================= Grid point 1009 (214/286) ======================= q-point: ( 0.52 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.301 ( 4.886 13.667 17.720) 22.905 9.264 ( 7.573 8.073 28.917) 30.963 11.595 ( 0.358 -12.064 19.961) 23.326 12.822 ( 28.648 8.935 16.349) 34.173 13.448 ( -35.109 22.422 5.621) 42.036 16.687 ( -2.273 -13.048 -33.268) 35.807 ======================= Grid point 1010 (215/286) ======================= q-point: ( 0.57 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.536 ( 6.437 9.081 12.046) 16.402 9.501 ( 11.754 -0.225 24.794) 27.440 11.652 ( 8.745 -7.763 17.285) 20.869 12.806 ( 26.347 4.007 24.307) 36.069 14.066 ( -36.544 17.959 -11.777) 42.388 16.228 ( -2.177 -10.637 -25.609) 27.815 ======================= Grid point 1011 (216/286) ======================= q-point: (-0.38 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.623 ( 9.115 1.969 7.499) 11.967 9.565 ( 16.234 -6.375 21.558) 27.729 11.590 ( 18.655 -2.372 9.639) 21.132 12.879 ( 19.557 -2.562 32.443) 37.968 14.286 ( -23.194 0.505 -32.652) 40.055 16.042 ( -12.965 4.034 -10.579) 17.212 ======================= Grid point 1012 (217/286) ======================= q-point: (-0.33 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.537 ( 14.024 -5.958 4.195) 15.804 9.481 ( 20.944 -11.973 19.123) 30.784 11.427 ( 22.017 2.388 3.894) 22.486 13.005 ( 15.140 -7.600 33.143) 37.222 13.901 ( -2.333 -15.792 -39.416) 42.526 16.339 ( -27.905 16.782 -4.552) 32.880 ======================= Grid point 1013 (218/286) ======================= q-point: (-0.29 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.268 ( 20.926 -12.265 1.643) 24.311 9.248 ( 25.497 -18.983 16.704) 35.910 11.268 ( 18.841 6.633 0.673) 19.986 13.056 ( 14.394 -10.315 9.735) 20.208 13.231 ( 11.381 -21.853 -17.027) 29.950 16.848 ( -33.718 18.661 -4.656) 38.817 ======================= Grid point 1014 (219/286) ======================= q-point: (-0.24 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.834 ( 28.358 -15.985 -0.418) 32.555 8.854 ( 28.751 -26.414 13.193) 41.211 11.172 ( 13.777 9.492 -1.503) 16.798 12.361 ( 24.757 -21.502 -26.684) 42.276 13.105 ( 12.660 -13.409 20.146) 27.312 17.390 ( -35.190 16.469 -4.082) 39.067 ======================= Grid point 1015 (220/286) ======================= q-point: (-0.19 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.274 ( 34.666 -17.538 -1.281) 38.871 8.302 ( 31.138 -31.912 7.334) 45.186 11.094 ( 12.643 2.652 -5.053) 13.872 11.577 ( 33.054 -14.278 -10.872) 37.612 12.989 ( 12.268 -12.527 10.154) 20.262 17.916 ( -34.970 12.848 -2.329) 37.328 ======================= Grid point 1016 (221/286) ======================= q-point: (-0.14 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.648 ( 39.153 -17.289 -0.000) 42.801 7.599 ( 34.333 -33.927 -0.000) 48.268 10.568 ( 38.580 -28.163 -0.000) 47.766 11.320 ( 14.411 15.799 -0.000) 21.385 12.778 ( 11.575 -10.836 -0.000) 15.856 18.415 ( -34.007 8.837 0.000) 35.136 ======================= Grid point 1027 (222/286) ======================= q-point: ( 0.38 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.206 ( 0.000 10.549 34.908) 36.467 7.632 ( 0.000 26.875 29.878) 40.186 10.976 ( 0.000 13.131 38.481) 40.659 12.095 ( 0.000 -16.994 17.403) 24.324 12.808 ( 0.000 8.477 10.449) 13.455 17.680 ( -0.000 0.423 -36.498) 36.501 ======================= Grid point 1028 (223/286) ======================= q-point: ( 0.43 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.695 ( 3.423 13.266 30.388) 33.334 8.295 ( -4.978 27.217 27.757) 39.192 11.464 ( -7.612 3.299 21.682) 23.215 12.201 ( -2.086 -6.708 25.070) 26.036 12.988 ( 8.164 10.435 10.876) 17.142 17.269 ( -2.047 -3.256 -35.738) 35.945 ======================= Grid point 1029 (224/286) ======================= q-point: ( 0.48 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.105 ( 6.857 14.893 24.168) 29.204 8.958 ( -5.816 21.904 28.153) 36.141 11.725 ( -9.763 -6.985 14.223) 18.612 12.540 ( -7.976 7.170 20.513) 23.147 13.111 ( 14.389 10.646 12.985) 22.113 16.845 ( -3.235 -7.115 -34.215) 35.096 ======================= Grid point 1030 (225/286) ======================= q-point: ( 0.52 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.423 ( 8.606 14.516 18.201) 24.821 9.519 ( -1.625 12.282 28.302) 30.894 11.902 ( -6.547 -8.782 16.701) 19.973 12.921 ( -9.552 16.815 2.653) 19.520 13.228 ( 10.825 6.704 17.656) 21.768 16.414 ( -3.386 -9.893 -31.295) 32.996 ======================= Grid point 1031 (226/286) ======================= q-point: ( 0.57 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.648 ( 9.445 12.061 12.984) 20.081 9.894 ( 4.714 1.318 27.461) 27.894 12.017 ( 5.038 -7.501 16.147) 18.504 13.190 ( 1.624 16.842 6.572) 18.152 13.428 ( -11.443 5.303 2.139) 12.792 16.012 ( -3.496 -9.396 -25.909) 27.781 ======================= Grid point 1032 (227/286) ======================= q-point: ( 0.62 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.769 ( 10.621 7.695 8.572) 15.669 10.072 ( 10.412 -7.767 26.312) 29.344 11.956 ( 18.454 -5.006 9.516) 21.358 13.446 ( 10.836 1.994 30.066) 32.021 13.572 ( -25.896 7.448 -28.899) 39.513 15.749 ( -7.943 -1.515 -17.965) 19.701 ======================= Grid point 1033 (228/286) ======================= q-point: (-0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.766 ( 13.377 1.757 5.007) 14.391 10.087 ( 15.132 -14.823 24.431) 32.335 11.735 ( 23.750 -2.966 3.261) 24.155 13.431 ( -6.725 -3.275 -26.888) 27.909 13.672 ( 4.314 -7.461 22.910) 24.477 15.805 ( -20.447 12.722 -11.541) 26.704 ======================= Grid point 1034 (229/286) ======================= q-point: (-0.29 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.612 ( 18.342 -4.938 2.306) 19.134 9.940 ( 19.384 -21.517 19.752) 35.055 11.466 ( 21.702 -0.332 -0.548) 21.711 13.049 ( 3.624 -9.287 -28.375) 30.075 13.717 ( 11.627 -14.684 22.805) 29.511 16.192 ( -30.829 20.420 -7.329) 37.698 ======================= Grid point 1035 (230/286) ======================= q-point: (-0.24 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.293 ( 24.723 -11.082 0.528) 27.098 9.595 ( 23.040 -27.961 10.693) 37.776 11.253 ( 16.551 3.533 -1.421) 16.984 12.549 ( 16.632 -13.334 -15.701) 26.476 13.599 ( 12.895 -15.837 11.836) 23.605 16.742 ( -34.801 20.280 -3.358) 40.419 ======================= Grid point 1036 (231/286) ======================= q-point: (-0.19 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.828 ( 30.609 -15.502 -0.000) 34.311 9.034 ( 26.467 -31.768 0.000) 41.349 11.140 ( 12.458 6.521 -0.000) 14.062 12.041 ( 27.402 -16.369 -0.000) 31.918 13.345 ( 12.829 -14.725 0.000) 19.530 17.334 ( -35.525 16.979 0.000) 39.374 ======================= Grid point 1049 (232/286) ======================= q-point: ( 0.43 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.911 ( 0.000 12.495 27.540) 30.242 8.227 ( 0.000 25.570 22.833) 34.281 11.661 ( 0.000 -0.377 22.427) 22.430 12.537 ( 0.000 -7.566 20.619) 21.963 13.033 ( 0.000 9.287 9.343) 13.174 16.897 ( -0.000 -1.230 -31.899) 31.923 ======================= Grid point 1050 (233/286) ======================= q-point: ( 0.48 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.296 ( 9.371 15.119 22.777) 28.899 8.854 ( -13.016 25.713 21.796) 36.134 11.847 ( -5.187 -5.235 13.277) 15.185 12.719 ( 0.762 -1.845 18.733) 18.839 13.227 ( 4.639 10.914 10.291) 15.702 16.525 ( -1.401 -5.113 -29.054) 29.534 ======================= Grid point 1051 (234/286) ======================= q-point: ( 0.52 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.571 ( 12.374 15.861 17.223) 26.482 9.540 ( -14.761 20.520 23.510) 34.521 12.003 ( -10.286 -4.078 9.470) 14.564 12.844 ( 4.162 1.922 6.843) 8.237 13.423 ( 5.330 9.518 14.044) 17.783 16.158 ( -2.029 -8.460 -25.621) 27.058 ======================= Grid point 1052 (235/286) ======================= q-point: ( 0.57 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.767 ( 12.977 14.651 12.328) 23.130 10.135 ( -8.564 9.733 26.678) 29.661 12.201 ( -10.557 -0.706 7.782) 13.134 12.830 ( 1.531 5.304 -9.192) 10.722 13.636 ( 5.425 6.623 18.271) 20.177 15.808 ( -2.164 -9.679 -21.942) 24.079 ======================= Grid point 1053 (236/286) ======================= q-point: ( 0.62 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.886 ( 13.084 11.916 8.075) 19.452 10.531 ( 1.108 -3.643 29.390) 29.636 12.299 ( 11.727 -3.014 8.843) 14.994 12.796 ( -21.548 9.977 -28.802) 37.328 13.876 ( 5.490 4.036 25.384) 26.283 15.508 ( -3.598 -6.579 -19.594) 20.980 ======================= Grid point 1054 (237/286) ======================= q-point: (-0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.918 ( 13.820 7.779 4.494) 16.484 10.690 ( 9.389 -14.671 27.456) 32.515 12.080 ( 23.181 -6.098 0.766) 23.982 12.841 ( -23.151 8.237 -30.123) 38.874 14.158 ( 5.135 -3.080 30.145) 30.734 15.345 ( -11.394 5.049 -18.950) 22.681 ======================= Grid point 1055 (238/286) ======================= q-point: (-0.29 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.843 ( 16.061 2.243 1.736) 16.309 10.596 ( 15.171 -22.372 16.654) 31.749 11.732 ( 21.559 -5.990 -2.817) 22.552 12.801 ( -7.729 2.270 -17.528) 19.290 14.242 ( 10.777 -15.475 17.102) 25.458 15.541 ( -25.854 20.663 -9.353) 34.393 ======================= Grid point 1056 (239/286) ======================= q-point: (-0.24 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.638 ( 20.040 -4.413 -0.000) 20.520 10.213 ( 19.060 -26.946 0.000) 33.005 11.437 ( 19.005 -2.222 -0.000) 19.134 12.692 ( 6.165 -5.086 -0.000) 7.992 14.004 ( 12.720 -17.455 0.000) 21.598 16.090 ( -32.652 23.036 0.000) 39.960 ======================= Grid point 1071 (240/286) ======================= q-point: ( 0.48 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.450 ( 0.000 15.144 20.214) 25.257 8.665 ( 0.000 24.677 15.967) 29.392 12.038 ( 0.000 -7.338 12.129) 14.176 12.944 ( 0.000 -2.059 13.755) 13.908 13.223 ( 0.000 9.974 7.342) 12.385 16.286 ( -0.000 -4.412 -21.346) 21.797 ======================= Grid point 1072 (241/286) ======================= q-point: ( 0.52 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.724 ( 15.276 17.564 15.194) 27.798 9.281 ( -21.443 25.523 16.024) 36.986 12.079 ( -3.081 -7.214 7.282) 10.703 13.006 ( 6.888 -1.699 6.959) 9.937 13.443 ( -2.512 10.951 8.302) 13.970 15.999 ( -0.009 -8.184 -16.976) 18.846 ======================= Grid point 1073 (242/286) ======================= q-point: ( 0.57 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.884 ( 16.504 17.190 10.419) 26.008 10.020 ( -24.677 22.731 18.726) 38.423 12.110 ( -6.729 -4.438 -0.509) 8.077 12.911 ( 12.508 -2.963 0.776) 12.878 13.708 ( -3.846 10.710 10.513) 15.493 15.714 ( 0.856 -10.950 -13.646) 17.518 ======================= Grid point 1074 (243/286) ======================= q-point: ( 0.62 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.978 ( 15.961 15.290 6.283) 22.978 10.733 ( -18.963 12.881 25.817) 34.526 12.106 ( -12.747 1.188 -16.713) 21.053 12.690 ( 17.257 -5.445 -0.617) 18.106 14.019 ( -5.339 11.026 14.402) 18.907 15.419 ( 2.279 -12.181 -12.624) 17.690 ======================= Grid point 1075 (244/286) ======================= q-point: (-0.33 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.009 ( 15.199 12.232 2.751) 19.703 11.221 ( 0.475 -8.913 30.473) 31.753 12.074 ( -22.734 9.040 -31.868) 40.176 12.430 ( 18.503 -2.695 2.667) 18.887 14.414 ( -8.326 11.263 19.531) 24.034 15.097 ( 3.052 -11.088 -15.876) 19.604 ======================= Grid point 1076 (245/286) ======================= q-point: (-0.29 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.969 ( 15.030 7.967 -0.000) 17.012 11.115 ( 12.667 -21.453 0.000) 24.914 11.995 ( 11.605 -7.684 -0.000) 13.919 12.472 ( -12.383 13.681 -0.000) 18.452 14.676 ( 10.711 -17.878 0.000) 20.841 14.961 ( -20.610 20.734 -0.000) 29.234 ======================= Grid point 1093 (246/286) ======================= q-point: ( 0.52 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.824 ( 0.000 18.138 12.766) 22.180 8.951 ( -0.000 24.115 9.412) 25.887 12.237 ( -0.000 -8.849 5.741) 10.548 13.135 ( 0.000 -1.102 3.774) 3.932 13.360 ( -0.000 10.466 4.671) 11.461 15.948 ( -0.000 -7.779 -8.948) 11.857 ======================= Grid point 1094 (247/286) ======================= q-point: ( 0.57 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.982 ( 19.395 19.590 7.600) 28.595 9.570 ( -28.290 27.037 9.227) 40.205 12.177 ( 0.280 -9.684 1.704) 9.836 13.082 ( 9.116 -2.272 1.006) 9.448 13.584 ( -7.233 12.013 4.042) 14.593 15.750 ( 1.704 -11.012 -5.889) 12.604 ======================= Grid point 1095 (248/286) ======================= q-point: ( 0.62 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.041 ( 18.728 18.124 3.499) 26.296 10.346 ( -34.582 28.539 8.602) 45.655 12.029 ( 2.645 -12.029 -4.030) 12.959 12.924 ( 13.825 -3.728 0.457) 14.326 13.875 ( -10.469 13.683 3.918) 17.668 15.523 ( 4.248 -13.661 -3.897) 14.828 ======================= Grid point 1096 (249/286) ======================= q-point: (-0.33 -0.57 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.049 ( 17.036 15.615 -0.000) 23.109 11.148 ( -37.697 27.389 0.000) 46.597 11.765 ( 7.259 -16.351 0.000) 17.890 12.702 ( 17.498 -4.642 -0.000) 18.103 14.203 ( -12.847 15.588 -0.000) 20.200 15.264 ( 7.061 -15.846 0.000) 17.348 ======================= Grid point 1116 (250/286) ======================= q-point: ( 0.57 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.020 ( 0.000 20.414 4.470) 20.898 9.092 ( -0.000 23.844 3.107) 24.046 12.313 ( -0.000 -9.253 1.391) 9.357 13.166 ( 0.000 -1.444 0.080) 1.446 13.431 ( -0.000 10.722 1.600) 10.840 15.839 ( -0.000 -9.651 -1.794) 9.816 ======================= Grid point 1117 (251/286) ======================= q-point: (-0.38 -0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.068 ( 20.775 20.339 -0.000) 29.074 9.678 ( -31.055 28.278 0.000) 42.001 12.188 ( 2.371 -11.634 0.000) 11.873 13.089 ( 8.863 -2.297 -0.000) 9.156 13.629 ( -8.520 12.731 -0.000) 15.319 15.691 ( 2.467 -12.118 0.000) 12.367 ======================= Grid point 1475 (252/286) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.488 ( 0.000 14.164 34.829) 37.599 8.307 ( 0.000 31.913 28.209) 42.593 11.222 ( 0.000 4.351 20.119) 20.584 11.824 ( 0.000 -2.189 28.692) 28.776 13.041 ( 0.000 12.055 11.482) 16.649 17.609 ( -0.000 -7.361 -36.637) 37.369 ======================= Grid point 1476 (253/286) ======================= q-point: ( 0.48 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.007 ( 1.762 13.764 29.906) 32.969 8.942 ( 3.391 29.380 25.499) 39.050 11.397 ( -4.449 -7.446 14.498) 16.895 12.260 ( -9.225 10.405 26.100) 29.573 13.263 ( 10.009 13.713 11.792) 20.670 17.104 ( -2.498 -11.620 -36.025) 37.935 ======================= Grid point 1477 (254/286) ======================= q-point: ( 0.52 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.419 ( 4.607 11.928 23.445) 26.705 9.450 ( 8.219 21.722 24.099) 33.469 11.546 ( -4.354 -6.911 18.454) 20.181 12.789 ( -21.129 12.772 12.462) 27.656 13.388 ( 19.505 13.753 12.478) 26.931 16.597 ( -4.632 -14.780 -33.906) 37.276 ======================= Grid point 1478 (255/286) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.698 ( 7.121 8.312 17.273) 20.449 9.780 ( 13.076 11.957 21.998) 28.246 11.748 ( -0.195 -4.051 22.289) 22.655 13.276 ( -30.538 11.452 -3.920) 32.850 13.422 ( 25.585 11.687 13.925) 31.386 16.131 ( -6.170 -14.556 -28.677) 32.746 ======================= Grid point 1479 (256/286) ======================= q-point: ( 0.62 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.836 ( 9.436 3.006 12.567) 16.000 9.930 ( 16.707 3.590 19.445) 25.887 11.915 ( 9.204 -1.396 19.448) 21.561 13.403 ( 25.829 4.019 20.322) 33.110 13.605 ( -33.577 6.258 -23.203) 41.291 15.812 ( -9.323 -6.916 -18.781) 22.079 ======================= Grid point 1497 (257/286) ======================= q-point: ( 0.48 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.209 ( 0.000 13.158 28.919) 31.772 8.870 ( 0.000 30.411 21.637) 37.323 11.597 ( 0.000 -5.206 14.453) 15.362 12.454 ( 0.000 0.830 24.732) 24.746 13.288 ( 0.000 13.209 10.270) 16.731 16.801 ( -0.000 -7.753 -33.860) 34.736 ======================= Grid point 1498 (258/286) ======================= q-point: ( 0.52 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.619 ( 6.510 12.424 24.318) 28.074 9.455 ( -2.901 26.950 20.028) 33.702 11.725 ( -5.931 -4.743 13.665) 15.634 12.725 ( -4.119 2.060 14.732) 15.435 13.517 ( 8.164 14.517 10.629) 19.757 16.336 ( -2.406 -11.787 -30.796) 33.062 ======================= Grid point 1499 (259/286) ======================= q-point: ( 0.57 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.895 ( 10.961 11.136 18.634) 24.319 9.954 ( 0.756 16.647 21.024) 26.827 11.946 ( -9.317 -0.676 15.020) 17.688 12.901 ( -9.026 2.604 -2.172) 9.642 13.678 ( 14.035 12.827 13.316) 23.213 15.909 ( -4.835 -13.357 -26.103) 29.718 ======================= Grid point 1500 (260/286) ======================= q-point: ( 0.62 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.049 ( 13.469 8.543 13.677) 21.011 10.269 ( 7.163 3.966 22.085) 23.554 12.207 ( -0.159 1.091 16.909) 16.945 12.944 ( -19.459 3.615 -23.113) 30.429 13.802 ( 15.772 7.479 18.734) 25.606 15.580 ( -7.600 -9.489 -20.359) 23.712 ======================= Grid point 1501 (261/286) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.093 ( 15.496 4.765 9.652) 18.867 10.389 ( 11.991 -6.971 21.579) 25.652 12.243 ( 19.632 -1.996 8.122) 21.339 12.954 ( -29.228 3.252 -30.558) 42.410 13.917 ( 13.672 -1.518 24.345) 27.963 15.441 ( -12.992 1.665 -15.554) 20.335 ======================= Grid point 1502 (262/286) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.021 ( 18.249 0.161 6.230) 19.284 10.326 ( 15.130 -16.657 17.468) 28.487 11.975 ( 21.634 -3.127 -4.476) 22.312 12.933 ( -13.908 0.526 -21.855) 25.911 13.972 ( 11.368 -12.068 22.140) 27.659 15.584 ( -22.323 14.231 -10.413) 28.447 ======================= Grid point 1503 (263/286) ======================= q-point: (-0.24 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.819 ( 22.243 -4.885 3.013) 22.972 10.051 ( 17.505 -25.557 8.577) 32.143 11.665 ( 18.422 0.068 -4.934) 19.071 12.786 ( 4.153 -2.577 -10.971) 12.011 13.872 ( 11.156 -16.581 11.641) 23.127 15.994 ( -30.165 18.255 -4.334) 35.524 ======================= Grid point 1504 (264/286) ======================= q-point: (-0.19 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.476 ( 26.705 -9.873 -0.000) 28.471 9.563 ( 20.328 -30.249 0.000) 36.445 11.471 ( 15.903 4.607 -0.000) 16.557 12.550 ( 17.248 -6.435 -0.000) 18.410 13.622 ( 11.451 -16.096 0.000) 19.753 16.534 ( -34.225 15.922 0.000) 37.748 ======================= Grid point 1519 (265/286) ======================= q-point: ( 0.52 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.795 ( 0.000 14.183 22.959) 26.987 9.285 ( -0.000 29.336 15.159) 33.021 11.882 ( -0.000 -5.889 10.304) 11.868 12.889 ( 0.000 -2.737 13.410) 13.686 13.497 ( -0.000 14.170 8.064) 16.303 16.130 ( -0.000 -9.652 -24.483) 26.316 ======================= Grid point 1520 (266/286) ======================= q-point: ( 0.57 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.103 ( 13.792 14.385 18.377) 27.108 9.856 ( -12.928 24.867 15.752) 32.150 11.958 ( -6.515 -2.840 5.615) 9.057 12.933 ( 3.483 -4.769 4.681) 7.536 13.738 ( 2.853 14.940 8.800) 17.572 15.761 ( -1.446 -12.911 -19.496) 23.428 ======================= Grid point 1521 (267/286) ======================= q-point: ( 0.62 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.253 ( 18.386 13.883 12.746) 26.330 10.425 ( -10.546 12.854 21.130) 26.887 12.089 ( -16.237 3.101 -5.769) 17.508 12.806 ( 10.002 -6.408 -1.914) 12.032 13.979 ( 3.457 12.913 12.836) 18.533 15.436 ( -2.722 -13.173 -15.976) 20.885 ======================= Grid point 1522 (268/286) ======================= q-point: ( 0.67 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.298 ( 19.673 11.611 7.853) 24.156 10.809 ( 0.260 -4.336 26.107) 26.466 12.229 ( -27.240 6.700 -27.670) 39.402 12.568 ( 18.563 -3.934 4.320) 19.461 14.247 ( 2.712 7.260 19.856) 21.315 15.171 ( -5.073 -7.849 -16.830) 19.251 ======================= Grid point 1523 (269/286) ======================= q-point: (-0.29 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.248 ( 20.157 7.760 3.635) 21.903 10.875 ( 9.491 -19.342 18.082) 28.127 12.089 ( -0.391 -5.568 -18.474) 19.299 12.565 ( -2.672 10.971 -1.789) 11.433 14.442 ( 6.715 -10.817 19.591) 23.365 15.080 ( -14.926 11.447 -15.254) 24.218 ======================= Grid point 1524 (270/286) ======================= q-point: (-0.24 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.094 ( 20.935 2.236 -0.000) 21.054 10.579 ( 13.384 -25.944 0.000) 29.193 11.845 ( 13.800 -4.777 -0.000) 14.603 12.701 ( -3.461 7.023 -0.000) 7.829 14.261 ( 9.895 -18.529 0.000) 21.006 15.433 ( -24.436 20.215 0.000) 31.714 ======================= Grid point 1541 (271/286) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.242 ( 0.000 17.541 16.391) 24.007 9.557 ( -0.000 28.645 8.945) 30.009 12.040 ( -0.000 -7.974 3.501) 8.709 13.073 ( 0.000 -4.536 3.797) 5.915 13.647 ( -0.000 14.848 5.124) 15.707 15.723 ( -0.000 -12.160 -11.644) 16.836 ======================= Grid point 1542 (272/286) ======================= q-point: ( 0.62 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.431 ( 22.424 18.744 10.177) 30.947 10.168 ( -26.426 25.026 11.455) 38.156 11.956 ( -2.282 -9.375 -4.597) 10.688 12.999 ( 8.402 -4.963 2.042) 9.969 13.900 ( -3.959 15.827 5.212) 17.127 15.457 ( 0.887 -14.829 -7.989) 16.868 ======================= Grid point 1543 (273/286) ======================= q-point: ( 0.67 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.452 ( 23.780 17.038 4.554) 29.606 10.894 ( -28.071 17.794 17.940) 37.768 11.754 ( -3.683 -10.929 -17.217) 20.723 12.838 ( 15.079 -3.441 2.078) 15.606 14.215 ( -8.126 16.163 6.578) 19.250 15.179 ( 3.077 -16.395 -6.419) 17.873 ======================= Grid point 1544 (274/286) ======================= q-point: (-0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.388 ( 22.310 13.312 -0.000) 25.979 11.343 ( 7.525 -20.985 0.000) 22.294 11.639 ( -32.098 15.032 0.000) 35.443 12.643 ( 17.414 0.505 -0.000) 17.421 14.586 ( -13.156 18.123 -0.000) 22.395 14.874 ( 6.712 -18.444 0.000) 19.627 ======================= Grid point 1563 (275/286) ======================= q-point: ( 0.62 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.509 ( 0.000 21.572 6.441) 22.513 9.691 ( -0.000 28.309 2.954) 28.462 12.061 ( -0.000 -12.904 -0.477) 12.913 13.113 ( 0.000 -3.241 0.578) 3.292 13.725 ( -0.000 15.196 1.755) 15.297 15.571 ( -0.000 -13.956 -2.781) 14.230 ======================= Grid point 1564 (276/286) ======================= q-point: (-0.33 -0.52 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.548 ( 26.263 20.982 -0.000) 33.616 10.315 ( -34.198 27.269 0.000) 43.739 11.874 ( 2.415 -16.223 0.000) 16.402 13.026 ( 9.278 -3.145 -0.000) 9.796 13.961 ( -7.195 16.536 -0.000) 18.034 15.371 ( 2.393 -16.033 0.000) 16.211 ======================= Grid point 1966 (277/286) ======================= q-point: ( 0.57 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.043 ( 0.000 6.991 23.777) 24.784 9.953 ( -0.000 29.139 14.254) 32.438 11.799 ( -0.000 -0.962 11.391) 11.431 12.817 ( 0.000 -3.822 7.038) 8.009 13.854 ( -0.000 17.203 8.963) 19.398 15.843 ( -0.000 -15.682 -25.771) 30.167 ======================= Grid point 1967 (278/286) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.310 ( 7.435 3.092 21.238) 22.714 10.394 ( 3.473 22.758 13.196) 26.535 11.969 ( -11.622 3.661 4.423) 12.963 12.788 ( -0.044 -8.184 -0.621) 8.207 14.102 ( 8.451 16.699 9.198) 20.853 15.425 ( -4.764 -16.294 -19.733) 26.030 ======================= Grid point 1968 (279/286) ======================= q-point: ( 0.67 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.434 ( 13.153 0.871 17.594) 21.984 10.647 ( 11.085 8.367 14.122) 19.807 12.220 ( -27.437 6.455 -13.004) 31.041 12.632 ( 9.173 -8.082 1.286) 12.293 14.240 ( 14.024 8.105 12.519) 20.471 15.171 ( -11.134 -8.125 -15.237) 20.547 ======================= Grid point 1988 (280/286) ======================= q-point: ( 0.62 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.552 ( 0.000 8.613 20.934) 22.636 10.209 ( -0.000 28.423 8.420) 29.644 11.899 ( -0.000 -4.225 -3.388) 5.416 12.932 ( 0.000 -7.754 4.600) 9.015 14.021 ( -0.000 17.964 5.679) 18.840 15.401 ( -0.000 -16.177 -13.390) 21.000 ======================= Grid point 1989 (281/286) ======================= q-point: ( 0.67 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.752 ( 16.987 7.947 16.424) 24.929 10.672 ( -10.216 19.297 12.092) 24.959 11.773 ( -10.423 -6.675 -18.138) 21.959 12.875 ( 7.492 -5.315 6.472) 11.237 14.282 ( 0.616 17.344 6.486) 18.527 15.094 ( -1.738 -16.644 -9.997) 19.493 ======================= Grid point 1990 (282/286) ======================= q-point: (-0.29 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.749 ( 23.279 7.838 8.358) 25.946 11.010 ( 1.542 -8.307 18.362) 20.212 11.653 ( -24.939 2.902 -26.460) 36.476 12.799 ( 12.755 0.721 5.465) 13.895 14.536 ( 1.504 5.457 13.414) 14.560 14.852 ( -5.587 -5.799 -13.550) 15.762 ======================= Grid point 1991 (283/286) ======================= q-point: (-0.24 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.600 ( 23.750 4.324 -0.000) 24.141 10.819 ( 7.922 -25.314 0.000) 26.524 11.829 ( -16.491 3.527 0.000) 16.864 12.746 ( 9.338 7.715 -0.000) 12.112 14.445 ( 6.238 -19.240 0.000) 20.226 15.005 ( -13.687 18.529 -0.000) 23.036 ======================= Grid point 2010 (284/286) ======================= q-point: ( 0.67 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.934 ( 0.000 14.677 10.608) 18.109 10.335 ( -0.000 28.077 2.783) 28.214 11.735 ( -0.000 -15.912 -7.012) 17.388 13.027 ( 0.000 -3.951 2.845) 4.869 14.107 ( -0.000 18.347 1.941) 18.449 15.215 ( -0.000 -17.352 -3.747) 17.752 ======================= Grid point 2011 (285/286) ======================= q-point: (-0.29 -0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.957 ( 25.668 13.831 -0.000) 29.157 10.882 ( -30.649 22.712 0.000) 38.147 11.456 ( 2.496 -20.771 0.000) 20.920 12.963 ( 8.546 -1.945 -0.000) 8.764 14.365 ( -5.728 18.910 -0.000) 19.759 14.976 ( 2.281 -18.715 0.000) 18.854 ======================= Grid point 2458 (286/286) ======================= q-point: ( 0.71 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 7.40e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.115 ( 0.000 0.567 18.312) 18.320 10.938 ( -0.000 25.015 2.622) 25.152 11.345 ( -0.000 -18.627 -19.105) 26.682 12.958 ( 0.000 -1.679 6.173) 6.398 14.540 ( -0.000 19.590 2.126) 19.705 14.799 ( -0.000 -19.186 -4.645) 19.741 =================== 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 3/55566 10.0 1662.730 1662.730 1662.730 -0.000 -0.000 0.000 3/55566 20.0 3525.661 3525.661 3525.661 -0.000 -0.000 0.000 3/55566 30.0 2416.393 2416.393 2416.393 -0.000 -0.000 0.000 3/55566 40.0 1709.347 1709.347 1709.347 -0.000 -0.000 0.000 3/55566 50.0 1193.744 1193.744 1193.744 -0.000 -0.000 0.000 3/55566 60.0 812.375 812.375 812.375 -0.000 -0.000 0.000 3/55566 70.0 556.515 556.515 556.515 -0.000 -0.000 0.000 3/55566 80.0 395.957 395.957 395.957 -0.000 -0.000 0.000 3/55566 90.0 296.177 296.177 296.177 -0.000 -0.000 0.000 3/55566 100.0 232.678 232.678 232.678 -0.000 -0.000 0.000 3/55566 110.0 190.727 190.727 190.727 -0.000 -0.000 0.000 3/55566 120.0 161.858 161.858 161.858 -0.000 -0.000 0.000 3/55566 130.0 141.187 141.187 141.187 -0.000 -0.000 0.000 3/55566 140.0 125.833 125.833 125.833 -0.000 -0.000 0.000 3/55566 150.0 114.046 114.046 114.046 -0.000 -0.000 0.000 3/55566 160.0 104.726 104.726 104.726 -0.000 -0.000 0.000 3/55566 170.0 97.167 97.167 97.167 -0.000 -0.000 0.000 3/55566 180.0 90.895 90.895 90.895 -0.000 -0.000 0.000 3/55566 190.0 85.592 85.592 85.592 -0.000 -0.000 0.000 3/55566 200.0 81.031 81.031 81.031 -0.000 -0.000 0.000 3/55566 210.0 77.052 77.052 77.052 -0.000 -0.000 0.000 3/55566 220.0 73.539 73.539 73.539 -0.000 -0.000 0.000 3/55566 230.0 70.403 70.403 70.403 -0.000 -0.000 0.000 3/55566 240.0 67.580 67.580 67.580 -0.000 -0.000 0.000 3/55566 250.0 65.017 65.017 65.017 -0.000 -0.000 0.000 3/55566 260.0 62.676 62.676 62.676 -0.000 -0.000 0.000 3/55566 270.0 60.525 60.525 60.525 -0.000 -0.000 0.000 3/55566 280.0 58.537 58.537 58.537 -0.000 -0.000 0.000 3/55566 290.0 56.694 56.694 56.694 -0.000 -0.000 0.000 3/55566 300.0 54.976 54.976 54.976 -0.000 -0.000 0.000 3/55566 310.0 53.371 53.371 53.371 -0.000 -0.000 0.000 3/55566 320.0 51.866 51.866 51.866 -0.000 -0.000 0.000 3/55566 330.0 50.451 50.451 50.451 -0.000 -0.000 0.000 3/55566 340.0 49.117 49.117 49.117 -0.000 -0.000 0.000 3/55566 350.0 47.857 47.857 47.857 -0.000 -0.000 0.000 3/55566 360.0 46.664 46.664 46.664 -0.000 -0.000 0.000 3/55566 370.0 45.533 45.533 45.533 -0.000 -0.000 0.000 3/55566 380.0 44.458 44.458 44.458 -0.000 -0.000 0.000 3/55566 390.0 43.436 43.436 43.436 -0.000 -0.000 0.000 3/55566 400.0 42.461 42.461 42.461 -0.000 -0.000 0.000 3/55566 410.0 41.531 41.531 41.531 -0.000 -0.000 0.000 3/55566 420.0 40.643 40.643 40.643 -0.000 -0.000 0.000 3/55566 430.0 39.792 39.792 39.792 -0.000 -0.000 0.000 3/55566 440.0 38.978 38.978 38.978 -0.000 -0.000 0.000 3/55566 450.0 38.198 38.198 38.198 -0.000 -0.000 0.000 3/55566 460.0 37.449 37.449 37.449 -0.000 -0.000 0.000 3/55566 470.0 36.729 36.729 36.729 -0.000 -0.000 0.000 3/55566 480.0 36.037 36.037 36.037 -0.000 -0.000 0.000 3/55566 490.0 35.372 35.372 35.372 -0.000 -0.000 0.000 3/55566 500.0 34.731 34.731 34.731 -0.000 -0.000 0.000 3/55566 510.0 34.113 34.113 34.113 -0.000 -0.000 0.000 3/55566 520.0 33.517 33.517 33.517 -0.000 -0.000 0.000 3/55566 530.0 32.942 32.942 32.942 -0.000 -0.000 0.000 3/55566 540.0 32.387 32.387 32.387 -0.000 -0.000 0.000 3/55566 550.0 31.850 31.850 31.850 -0.000 -0.000 0.000 3/55566 560.0 31.331 31.331 31.331 -0.000 -0.000 0.000 3/55566 570.0 30.829 30.829 30.829 -0.000 -0.000 0.000 3/55566 580.0 30.343 30.343 30.343 -0.000 -0.000 0.000 3/55566 590.0 29.872 29.872 29.872 -0.000 -0.000 0.000 3/55566 600.0 29.416 29.416 29.416 -0.000 -0.000 0.000 3/55566 610.0 28.974 28.974 28.974 -0.000 -0.000 0.000 3/55566 620.0 28.545 28.545 28.545 -0.000 -0.000 0.000 3/55566 630.0 28.128 28.128 28.128 -0.000 -0.000 0.000 3/55566 640.0 27.724 27.724 27.724 -0.000 -0.000 0.000 3/55566 650.0 27.331 27.331 27.331 -0.000 -0.000 0.000 3/55566 660.0 26.949 26.949 26.949 -0.000 -0.000 0.000 3/55566 670.0 26.578 26.578 26.578 -0.000 -0.000 0.000 3/55566 680.0 26.217 26.217 26.217 -0.000 -0.000 0.000 3/55566 690.0 25.865 25.865 25.865 -0.000 -0.000 0.000 3/55566 700.0 25.523 25.523 25.523 -0.000 -0.000 0.000 3/55566 710.0 25.190 25.190 25.190 -0.000 -0.000 0.000 3/55566 720.0 24.866 24.866 24.866 -0.000 -0.000 0.000 3/55566 730.0 24.550 24.550 24.550 -0.000 -0.000 0.000 3/55566 740.0 24.242 24.242 24.242 -0.000 -0.000 0.000 3/55566 750.0 23.941 23.941 23.941 -0.000 -0.000 0.000 3/55566 760.0 23.648 23.648 23.648 -0.000 -0.000 0.000 3/55566 770.0 23.363 23.363 23.363 -0.000 -0.000 0.000 3/55566 780.0 23.084 23.084 23.084 -0.000 -0.000 0.000 3/55566 790.0 22.811 22.811 22.811 -0.000 -0.000 0.000 3/55566 800.0 22.545 22.545 22.545 -0.000 -0.000 0.000 3/55566 810.0 22.285 22.285 22.285 -0.000 -0.000 0.000 3/55566 820.0 22.031 22.031 22.031 -0.000 -0.000 0.000 3/55566 830.0 21.783 21.783 21.783 -0.000 -0.000 0.000 3/55566 840.0 21.540 21.540 21.540 -0.000 -0.000 0.000 3/55566 850.0 21.303 21.303 21.303 -0.000 -0.000 0.000 3/55566 860.0 21.071 21.071 21.071 -0.000 -0.000 0.000 3/55566 870.0 20.844 20.844 20.844 -0.000 -0.000 0.000 3/55566 880.0 20.622 20.622 20.622 -0.000 -0.000 0.000 3/55566 890.0 20.404 20.404 20.404 -0.000 -0.000 0.000 3/55566 900.0 20.191 20.191 20.191 -0.000 -0.000 0.000 3/55566 910.0 19.983 19.983 19.983 -0.000 -0.000 0.000 3/55566 920.0 19.778 19.778 19.778 -0.000 -0.000 0.000 3/55566 930.0 19.578 19.578 19.578 -0.000 -0.000 0.000 3/55566 940.0 19.382 19.382 19.382 -0.000 -0.000 0.000 3/55566 950.0 19.190 19.190 19.190 -0.000 -0.000 0.000 3/55566 960.0 19.002 19.002 19.002 -0.000 -0.000 0.000 3/55566 970.0 18.817 18.817 18.817 -0.000 -0.000 0.000 3/55566 980.0 18.636 18.636 18.636 -0.000 -0.000 0.000 3/55566 990.0 18.458 18.458 18.458 -0.000 -0.000 0.000 3/55566 1000.0 18.284 18.284 18.284 -0.000 -0.000 0.000 3/55566 Thermal conductivity related properties were written into "kappa-m212121.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:48:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|