----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:32:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fm-3m (225) Number of symmetry operations in supercell: 1536 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 1.988080420000000 1.988080420000000 b 1.988080420000000 0.000000000000000 1.988080420000000 c 1.988080420000000 1.988080420000000 0.000000000000000 Atomic positions (fractional): *1 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 *2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.976160840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.976160840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.976160840000000 Atomic positions (fractional): *1 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 1 2 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 3 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 1 4 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 1 *5 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 2 6 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 7 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 8 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 2 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.952321680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.952321680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.952321680000000 Atomic positions (fractional): *1 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 3 H 0.00000000000000 0.50000000000000 0.00000000000000 1.008 > 1 4 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 1 5 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 1 6 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 1 7 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 8 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 1 9 H 0.00000000000000 0.25000000000000 0.25000000000000 1.008 > 1 10 H 0.50000000000000 0.25000000000000 0.25000000000000 1.008 > 1 11 H 0.00000000000000 0.75000000000000 0.25000000000000 1.008 > 1 12 H 0.50000000000000 0.75000000000000 0.25000000000000 1.008 > 1 13 H 0.00000000000000 0.25000000000000 0.75000000000000 1.008 > 1 14 H 0.50000000000000 0.25000000000000 0.75000000000000 1.008 > 1 15 H 0.00000000000000 0.75000000000000 0.75000000000000 1.008 > 1 16 H 0.50000000000000 0.75000000000000 0.75000000000000 1.008 > 1 17 H 0.25000000000000 0.00000000000000 0.25000000000000 1.008 > 1 18 H 0.75000000000000 0.00000000000000 0.25000000000000 1.008 > 1 19 H 0.25000000000000 0.50000000000000 0.25000000000000 1.008 > 1 20 H 0.75000000000000 0.50000000000000 0.25000000000000 1.008 > 1 21 H 0.25000000000000 0.00000000000000 0.75000000000000 1.008 > 1 22 H 0.75000000000000 0.00000000000000 0.75000000000000 1.008 > 1 23 H 0.25000000000000 0.50000000000000 0.75000000000000 1.008 > 1 24 H 0.75000000000000 0.50000000000000 0.75000000000000 1.008 > 1 25 H 0.25000000000000 0.25000000000000 0.00000000000000 1.008 > 1 26 H 0.75000000000000 0.25000000000000 0.00000000000000 1.008 > 1 27 H 0.25000000000000 0.75000000000000 0.00000000000000 1.008 > 1 28 H 0.75000000000000 0.75000000000000 0.00000000000000 1.008 > 1 29 H 0.25000000000000 0.25000000000000 0.50000000000000 1.008 > 1 30 H 0.75000000000000 0.25000000000000 0.50000000000000 1.008 > 1 31 H 0.25000000000000 0.75000000000000 0.50000000000000 1.008 > 1 32 H 0.75000000000000 0.75000000000000 0.50000000000000 1.008 > 1 *33 Li 0.25000000000000 0.00000000000000 0.00000000000000 6.941 > 2 34 Li 0.75000000000000 0.00000000000000 0.00000000000000 6.941 > 2 35 Li 0.25000000000000 0.50000000000000 0.00000000000000 6.941 > 2 36 Li 0.75000000000000 0.50000000000000 0.00000000000000 6.941 > 2 37 Li 0.25000000000000 0.00000000000000 0.50000000000000 6.941 > 2 38 Li 0.75000000000000 0.00000000000000 0.50000000000000 6.941 > 2 39 Li 0.25000000000000 0.50000000000000 0.50000000000000 6.941 > 2 40 Li 0.75000000000000 0.50000000000000 0.50000000000000 6.941 > 2 41 Li 0.25000000000000 0.25000000000000 0.25000000000000 6.941 > 2 42 Li 0.75000000000000 0.25000000000000 0.25000000000000 6.941 > 2 43 Li 0.25000000000000 0.75000000000000 0.25000000000000 6.941 > 2 44 Li 0.75000000000000 0.75000000000000 0.25000000000000 6.941 > 2 45 Li 0.25000000000000 0.25000000000000 0.75000000000000 6.941 > 2 46 Li 0.75000000000000 0.25000000000000 0.75000000000000 6.941 > 2 47 Li 0.25000000000000 0.75000000000000 0.75000000000000 6.941 > 2 48 Li 0.75000000000000 0.75000000000000 0.75000000000000 6.941 > 2 49 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 2 50 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 2 51 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 2 52 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 2 53 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 54 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 2 55 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 2 56 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 2 57 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 2 58 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 2 59 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 2 60 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 2 61 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 2 62 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 2 63 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 2 64 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 2 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7764194 0.0000000 0.0000000 0.0000000 4.7764194 0.0000000 0.0000000 0.0000000 4.7764194 -------------------------- Born effective charges -------------------------- 1 H -1.0205181 0.0000000 0.0000000 0.0000000 -1.0205181 0.0000000 0.0000000 0.0000000 -1.0205181 2 Li 1.0205181 0.0000000 0.0000000 0.0000000 1.0205181 0.0000000 0.0000000 0.0000000 1.0205181 ---------------------------------------------------------------------------- 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 2026-01-08 05:32:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:32:22]------------------------- 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 1.988080420000000 1.988080420000000 b 1.988080420000000 0.000000000000000 1.988080420000000 c 1.988080420000000 1.988080420000000 0.000000000000000 Atomic positions (fractional): 1 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.952321680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.952321680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.952321680000000 Atomic positions (fractional): 1 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 3 H 0.00000000000000 0.50000000000000 0.00000000000000 1.008 > 1 4 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 1 5 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 1 6 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 1 7 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 8 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 1 9 H 0.00000000000000 0.25000000000000 0.25000000000000 1.008 > 1 10 H 0.50000000000000 0.25000000000000 0.25000000000000 1.008 > 1 11 H 0.00000000000000 0.75000000000000 0.25000000000000 1.008 > 1 12 H 0.50000000000000 0.75000000000000 0.25000000000000 1.008 > 1 13 H 0.00000000000000 0.25000000000000 0.75000000000000 1.008 > 1 14 H 0.50000000000000 0.25000000000000 0.75000000000000 1.008 > 1 15 H 0.00000000000000 0.75000000000000 0.75000000000000 1.008 > 1 16 H 0.50000000000000 0.75000000000000 0.75000000000000 1.008 > 1 17 H 0.25000000000000 0.00000000000000 0.25000000000000 1.008 > 1 18 H 0.75000000000000 0.00000000000000 0.25000000000000 1.008 > 1 19 H 0.25000000000000 0.50000000000000 0.25000000000000 1.008 > 1 20 H 0.75000000000000 0.50000000000000 0.25000000000000 1.008 > 1 21 H 0.25000000000000 0.00000000000000 0.75000000000000 1.008 > 1 22 H 0.75000000000000 0.00000000000000 0.75000000000000 1.008 > 1 23 H 0.25000000000000 0.50000000000000 0.75000000000000 1.008 > 1 24 H 0.75000000000000 0.50000000000000 0.75000000000000 1.008 > 1 25 H 0.25000000000000 0.25000000000000 0.00000000000000 1.008 > 1 26 H 0.75000000000000 0.25000000000000 0.00000000000000 1.008 > 1 27 H 0.25000000000000 0.75000000000000 0.00000000000000 1.008 > 1 28 H 0.75000000000000 0.75000000000000 0.00000000000000 1.008 > 1 29 H 0.25000000000000 0.25000000000000 0.50000000000000 1.008 > 1 30 H 0.75000000000000 0.25000000000000 0.50000000000000 1.008 > 1 31 H 0.25000000000000 0.75000000000000 0.50000000000000 1.008 > 1 32 H 0.75000000000000 0.75000000000000 0.50000000000000 1.008 > 1 33 Li 0.25000000000000 0.00000000000000 0.00000000000000 6.941 > 33 34 Li 0.75000000000000 0.00000000000000 0.00000000000000 6.941 > 33 35 Li 0.25000000000000 0.50000000000000 0.00000000000000 6.941 > 33 36 Li 0.75000000000000 0.50000000000000 0.00000000000000 6.941 > 33 37 Li 0.25000000000000 0.00000000000000 0.50000000000000 6.941 > 33 38 Li 0.75000000000000 0.00000000000000 0.50000000000000 6.941 > 33 39 Li 0.25000000000000 0.50000000000000 0.50000000000000 6.941 > 33 40 Li 0.75000000000000 0.50000000000000 0.50000000000000 6.941 > 33 41 Li 0.25000000000000 0.25000000000000 0.25000000000000 6.941 > 33 42 Li 0.75000000000000 0.25000000000000 0.25000000000000 6.941 > 33 43 Li 0.25000000000000 0.75000000000000 0.25000000000000 6.941 > 33 44 Li 0.75000000000000 0.75000000000000 0.25000000000000 6.941 > 33 45 Li 0.25000000000000 0.25000000000000 0.75000000000000 6.941 > 33 46 Li 0.75000000000000 0.25000000000000 0.75000000000000 6.941 > 33 47 Li 0.25000000000000 0.75000000000000 0.75000000000000 6.941 > 33 48 Li 0.75000000000000 0.75000000000000 0.75000000000000 6.941 > 33 49 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 33 50 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 33 51 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 33 52 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 33 53 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 33 54 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 33 55 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 33 56 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 33 57 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 33 58 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 33 59 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 33 60 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 33 61 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 33 62 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 33 63 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 33 64 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7764194 0.0000000 0.0000000 0.0000000 4.7764194 0.0000000 0.0000000 0.0000000 4.7764194 -------------------------- Born effective charges -------------------------- 1 H -1.0205181 0.0000000 0.0000000 0.0000000 -1.0205181 0.0000000 0.0000000 0.0000000 -1.0205181 2 Li 1.0205181 0.0000000 0.0000000 0.0000000 1.0205181 0.0000000 0.0000000 0.0000000 1.0205181 ---------------------------------------------------------------------------- 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: -0.00000007 (yyy) -0.00000007 (yyy) -0.00000007 (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 2026-01-08 05:32:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:32:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fm-3m (225) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 1.988080420000000 1.988080420000000 b 1.988080420000000 0.000000000000000 1.988080420000000 c 1.988080420000000 1.988080420000000 0.000000000000000 Atomic positions (fractional): 1 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.952321680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.952321680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.952321680000000 Atomic positions (fractional): 1 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 3 H 0.00000000000000 0.50000000000000 0.00000000000000 1.008 > 1 4 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 1 5 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 1 6 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 1 7 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 8 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 1 9 H 0.00000000000000 0.25000000000000 0.25000000000000 1.008 > 1 10 H 0.50000000000000 0.25000000000000 0.25000000000000 1.008 > 1 11 H 0.00000000000000 0.75000000000000 0.25000000000000 1.008 > 1 12 H 0.50000000000000 0.75000000000000 0.25000000000000 1.008 > 1 13 H 0.00000000000000 0.25000000000000 0.75000000000000 1.008 > 1 14 H 0.50000000000000 0.25000000000000 0.75000000000000 1.008 > 1 15 H 0.00000000000000 0.75000000000000 0.75000000000000 1.008 > 1 16 H 0.50000000000000 0.75000000000000 0.75000000000000 1.008 > 1 17 H 0.25000000000000 0.00000000000000 0.25000000000000 1.008 > 1 18 H 0.75000000000000 0.00000000000000 0.25000000000000 1.008 > 1 19 H 0.25000000000000 0.50000000000000 0.25000000000000 1.008 > 1 20 H 0.75000000000000 0.50000000000000 0.25000000000000 1.008 > 1 21 H 0.25000000000000 0.00000000000000 0.75000000000000 1.008 > 1 22 H 0.75000000000000 0.00000000000000 0.75000000000000 1.008 > 1 23 H 0.25000000000000 0.50000000000000 0.75000000000000 1.008 > 1 24 H 0.75000000000000 0.50000000000000 0.75000000000000 1.008 > 1 25 H 0.25000000000000 0.25000000000000 0.00000000000000 1.008 > 1 26 H 0.75000000000000 0.25000000000000 0.00000000000000 1.008 > 1 27 H 0.25000000000000 0.75000000000000 0.00000000000000 1.008 > 1 28 H 0.75000000000000 0.75000000000000 0.00000000000000 1.008 > 1 29 H 0.25000000000000 0.25000000000000 0.50000000000000 1.008 > 1 30 H 0.75000000000000 0.25000000000000 0.50000000000000 1.008 > 1 31 H 0.25000000000000 0.75000000000000 0.50000000000000 1.008 > 1 32 H 0.75000000000000 0.75000000000000 0.50000000000000 1.008 > 1 33 Li 0.25000000000000 0.00000000000000 0.00000000000000 6.941 > 33 34 Li 0.75000000000000 0.00000000000000 0.00000000000000 6.941 > 33 35 Li 0.25000000000000 0.50000000000000 0.00000000000000 6.941 > 33 36 Li 0.75000000000000 0.50000000000000 0.00000000000000 6.941 > 33 37 Li 0.25000000000000 0.00000000000000 0.50000000000000 6.941 > 33 38 Li 0.75000000000000 0.00000000000000 0.50000000000000 6.941 > 33 39 Li 0.25000000000000 0.50000000000000 0.50000000000000 6.941 > 33 40 Li 0.75000000000000 0.50000000000000 0.50000000000000 6.941 > 33 41 Li 0.25000000000000 0.25000000000000 0.25000000000000 6.941 > 33 42 Li 0.75000000000000 0.25000000000000 0.25000000000000 6.941 > 33 43 Li 0.25000000000000 0.75000000000000 0.25000000000000 6.941 > 33 44 Li 0.75000000000000 0.75000000000000 0.25000000000000 6.941 > 33 45 Li 0.25000000000000 0.25000000000000 0.75000000000000 6.941 > 33 46 Li 0.75000000000000 0.25000000000000 0.75000000000000 6.941 > 33 47 Li 0.25000000000000 0.75000000000000 0.75000000000000 6.941 > 33 48 Li 0.75000000000000 0.75000000000000 0.75000000000000 6.941 > 33 49 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 33 50 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 33 51 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 33 52 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 33 53 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 33 54 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 33 55 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 33 56 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 33 57 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 33 58 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 33 59 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 33 60 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 33 61 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 33 62 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 33 63 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 33 64 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7764194 0.0000000 0.0000000 0.0000000 4.7764194 0.0000000 0.0000000 0.0000000 4.7764194 -------------------------- Born effective charges -------------------------- 1 H -1.0205181 0.0000000 0.0000000 0.0000000 -1.0205181 0.0000000 0.0000000 0.0000000 -1.0205181 2 Li 1.0205181 0.0000000 0.0000000 0.0000000 1.0205181 0.0000000 0.0000000 0.0000000 1.0205181 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (yyy) -0.00000007 (yyy) -0.00000007 (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 ... [ 22 22 22 ] 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: 1.66, Number of G-points: 307, Lambda: 0.38 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/328) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 328 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 18.737 ( 0.000 0.000 0.000) 0.000 18.737 ( 0.000 0.000 0.000) 0.000 18.737 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/328) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -38.379 38.379 38.379) 66.474 1.339 ( -38.379 38.379 38.379) 66.474 2.212 ( -64.001 64.001 64.001) 110.853 18.852 ( -6.670 6.670 6.670) 11.553 18.852 ( -6.670 6.670 6.670) 11.553 32.370 ( 0.327 -0.327 -0.327) 0.567 ======================= Grid point 2 (3/328) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -35.695 35.695 35.695) 61.825 2.613 ( -35.695 35.695 35.695) 61.825 4.373 ( -61.785 61.785 61.785) 107.015 19.189 ( -12.913 12.913 12.913) 22.366 19.189 ( -12.913 12.913 12.913) 22.366 32.354 ( 0.626 -0.626 -0.626) 1.085 ======================= Grid point 3 (4/328) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.777 ( -32.083 32.083 32.083) 55.569 3.777 ( -32.083 32.083 32.083) 55.569 6.437 ( -58.364 58.364 58.364) 101.090 19.725 ( -18.125 18.125 18.125) 31.393 19.725 ( -18.125 18.125 18.125) 31.393 32.327 ( 0.931 -0.931 -0.931) 1.613 ======================= Grid point 4 (5/328) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.812 ( -28.348 28.348 28.348) 49.100 4.812 ( -28.348 28.348 28.348) 49.100 8.366 ( -54.026 54.026 54.026) 93.575 20.413 ( -21.622 21.622 21.622) 37.450 20.413 ( -21.622 21.622 21.622) 37.450 32.289 ( 1.341 -1.341 -1.341) 2.323 ======================= Grid point 5 (6/328) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.725 ( -24.940 24.940 24.940) 43.198 5.725 ( -24.940 24.940 24.940) 43.198 10.134 ( -48.984 48.984 48.984) 84.843 21.183 ( -22.941 22.941 22.941) 39.736 21.183 ( -22.941 22.941 22.941) 39.736 32.233 ( 1.945 -1.945 -1.945) 3.368 ======================= Grid point 6 (7/328) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.526 ( -21.829 21.829 21.829) 37.809 6.526 ( -21.829 21.829 21.829) 37.809 11.719 ( -43.292 43.292 43.292) 74.984 21.961 ( -22.043 22.043 22.043) 38.180 21.961 ( -22.043 22.043 22.043) 38.180 32.153 ( 2.714 -2.714 -2.714) 4.701 ======================= Grid point 7 (8/328) ======================= q-point: ( 0.32 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.222 ( -18.666 18.666 18.666) 32.331 7.222 ( -18.666 18.666 18.666) 32.331 13.095 ( -36.823 36.823 36.823) 63.780 22.674 ( -19.276 19.276 19.276) 33.387 22.674 ( -19.276 19.276 19.276) 33.387 32.047 ( 3.439 -3.439 -3.439) 5.956 ======================= Grid point 8 (9/328) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.801 ( -15.039 15.039 15.039) 26.049 7.801 ( -15.039 15.039 15.039) 26.049 14.233 ( -29.335 29.335 29.335) 50.809 23.268 ( -15.197 15.197 15.197) 26.322 23.268 ( -15.197 15.197 15.197) 26.322 31.922 ( 3.759 -3.759 -3.759) 6.511 ======================= Grid point 9 (10/328) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.245 ( -10.678 10.678 10.678) 18.494 8.245 ( -10.678 10.678 10.678) 18.494 15.093 ( -20.614 20.614 20.614) 35.705 23.708 ( -10.373 10.373 10.373) 17.966 23.708 ( -10.373 10.373 10.373) 17.966 31.798 ( 3.313 -3.313 -3.313) 5.738 ======================= Grid point 10 (11/328) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.525 ( -5.572 5.572 5.572) 9.651 8.525 ( -5.572 5.572 5.572) 9.651 15.633 ( -10.692 10.692 10.692) 18.518 23.976 ( -5.230 5.230 5.230) 9.059 23.976 ( -5.230 5.230 5.230) 9.059 31.705 ( 1.967 -1.967 -1.967) 3.408 ======================= Grid point 11 (12/328) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.621 ( -0.000 0.000 0.000) 0.000 8.621 ( -0.000 0.000 0.000) 0.000 15.817 ( -0.000 0.000 0.000) 0.000 24.066 ( -0.000 0.000 0.000) 0.000 24.066 ( -0.000 0.000 0.000) 0.000 31.671 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 24 (13/328) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 828 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -0.000 0.000 73.451) 73.451 1.711 ( -0.000 0.000 73.451) 73.451 2.324 ( -0.000 0.000 100.258) 100.258 18.893 ( -0.000 0.000 13.543) 13.543 18.893 ( -0.000 0.000 13.543) 13.543 32.363 ( 0.000 -0.000 -1.125) 1.125 ======================= Grid point 25 (14/328) ======================= q-point: ( 0.09 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -9.201 9.201 65.460) 66.741 2.716 ( -14.956 14.956 65.027) 68.381 4.010 ( -41.361 41.361 85.266) 103.401 19.155 ( -6.255 6.255 19.721) 21.614 19.158 ( -6.414 6.414 19.692) 21.680 32.347 ( 0.039 -0.039 -1.741) 1.742 ======================= Grid point 26 (15/328) ======================= q-point: ( 0.14 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( -17.865 17.865 52.473) 58.238 3.796 ( -18.410 18.410 55.309) 61.131 5.957 ( -48.263 48.263 73.080) 99.996 19.623 ( -12.115 12.115 24.893) 30.219 19.627 ( -12.159 12.159 24.742) 30.130 32.321 ( 0.209 -0.209 -2.348) 2.367 ======================= Grid point 27 (16/328) ======================= q-point: ( 0.18 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.564 ( -20.261 20.261 42.695) 51.419 4.801 ( -18.143 18.143 46.996) 53.544 7.852 ( -48.854 48.854 63.234) 93.658 20.262 ( -16.545 16.545 28.615) 36.963 20.263 ( -16.568 16.568 28.096) 36.584 32.283 ( 0.430 -0.430 -3.105) 3.164 ======================= Grid point 28 (17/328) ======================= q-point: ( 0.23 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.474 ( -20.024 20.024 35.857) 45.691 5.697 ( -16.808 16.808 39.921) 46.462 9.621 ( -46.929 46.929 54.257) 85.724 21.004 ( -19.034 19.034 29.317) 39.800 21.010 ( -18.848 18.848 30.493) 40.501 32.228 ( 0.772 -0.772 -4.142) 4.283 ======================= Grid point 29 (18/328) ======================= q-point: ( 0.27 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.298 ( -18.609 18.609 31.001) 40.665 6.484 ( -15.291 15.291 33.773) 40.103 11.228 ( -43.535 43.535 45.579) 76.604 21.778 ( -19.289 19.289 28.340) 39.336 21.795 ( -18.765 18.765 30.460) 40.399 32.151 ( 1.249 -1.249 -5.476) 5.754 ======================= Grid point 30 (19/328) ======================= q-point: ( 0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.032 ( -16.378 16.378 27.153) 35.689 7.169 ( -13.630 13.630 28.133) 34.103 12.645 ( -38.953 38.953 36.828) 66.264 22.511 ( -17.495 17.495 25.477) 35.514 22.542 ( -16.481 16.481 28.801) 37.051 32.046 ( 1.718 -1.718 -6.935) 7.349 ======================= Grid point 31 (20/328) ======================= q-point: ( 0.36 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.662 ( -13.286 13.286 23.478) 30.071 7.747 ( -11.494 11.494 22.568) 27.813 13.840 ( -33.118 33.118 27.663) 54.396 23.143 ( -14.117 14.117 21.265) 29.169 23.190 ( -12.485 12.485 25.975) 31.408 31.917 ( 1.868 -1.868 -8.151) 8.568 ======================= Grid point 32 (21/328) ======================= q-point: ( 0.41 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.167 ( -9.234 9.234 19.445) 23.424 8.203 ( -8.530 8.530 16.757) 20.648 14.778 ( -25.850 25.850 17.830) 40.673 23.632 ( -9.726 9.726 16.281) 21.313 23.695 ( -7.389 7.389 22.389) 24.708 31.782 ( 1.339 -1.339 -8.653) 8.857 ======================= Grid point 33 (22/328) ======================= q-point: ( 0.45 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.512 ( -4.587 4.587 10.583) 12.413 8.520 ( -4.254 4.254 14.913) 16.081 15.416 ( -17.078 17.078 7.308) 25.234 23.955 ( -4.817 4.817 10.988) 12.928 24.033 ( -1.768 1.768 18.242) 18.413 31.669 ( -0.061 0.061 -8.083) 8.084 ======================= Grid point 34 (23/328) ======================= q-point: ( 0.50 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.648 ( 0.177 -0.177 4.172) 4.180 8.696 ( 1.422 -1.422 10.135) 10.332 15.715 ( -7.063 7.063 -3.532) 10.595 24.102 ( 0.297 -0.297 5.670) 5.685 24.191 ( 3.928 -3.928 13.524) 14.621 31.609 ( -2.129 2.129 -6.443) 7.112 ======================= Grid point 35 (24/328) ======================= q-point: (-0.45 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.596 ( 5.330 -5.330 -2.151) 7.839 8.685 ( 7.386 -7.386 5.628) 11.864 15.655 ( 3.556 -3.556 -13.966) 14.844 24.071 ( 5.482 -5.482 0.454) 7.766 24.162 ( 9.414 -9.414 8.192) 15.632 31.622 ( -4.259 4.259 -4.200) 7.343 ======================= Grid point 36 (25/328) ======================= q-point: (-0.41 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.358 ( 10.334 -10.334 -7.994) 16.658 8.492 ( 13.196 -13.196 1.951) 18.764 15.239 ( 13.985 -13.985 -23.210) 30.493 23.863 ( 10.672 -10.672 -4.571) 15.769 23.948 ( 14.539 -14.539 2.393) 20.700 31.702 ( -5.752 5.752 -2.071) 8.393 ======================= Grid point 37 (26/328) ======================= q-point: (-0.36 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.948 ( 14.761 -14.761 -13.051) 24.619 8.135 ( 18.547 -18.547 -0.536) 26.235 14.497 ( 23.636 -23.636 -30.759) 45.426 23.481 ( 15.709 -15.709 -9.212) 24.050 23.556 ( 19.182 -19.182 -3.441) 27.344 31.827 ( -6.225 6.225 -0.600) 8.824 ======================= Grid point 38 (27/328) ======================= q-point: (-0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.394 ( 18.458 -18.458 -17.183) 31.252 7.640 ( 23.377 -23.377 -1.805) 33.110 13.470 ( 32.320 -32.320 -36.496) 58.491 22.940 ( 20.249 -20.249 -13.099) 31.490 23.000 ( 23.117 -23.117 -8.653) 33.818 31.963 ( -5.757 5.757 0.086) 8.142 ======================= Grid point 39 (28/328) ======================= q-point: (-0.27 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.719 ( 21.600 -21.600 -20.394) 36.730 7.031 ( 27.877 -27.877 -2.149) 39.483 12.198 ( 40.171 -40.171 -40.522) 69.781 22.268 ( 23.768 -23.768 -15.719) 37.107 22.314 ( 25.959 -25.959 -12.496) 38.780 32.085 ( -4.726 4.726 0.203) 6.687 ======================= Grid point 40 (29/328) ======================= q-point: (-0.23 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.944 ( 24.629 -24.629 -22.698) 41.574 6.318 ( 32.389 -32.389 -2.023) 45.850 10.717 ( 47.463 -47.463 -42.881) 79.651 21.513 ( 25.677 -25.677 -16.545) 39.904 21.547 ( 27.235 -27.235 -14.298) 41.084 32.182 ( -3.562 3.562 0.080) 5.038 ======================= Grid point 41 (30/328) ======================= q-point: (-0.18 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.075 ( 28.105 -28.105 -23.888) 46.373 5.501 ( 37.233 -37.233 -1.770) 52.685 9.057 ( 54.469 -54.469 -43.244) 88.339 20.740 ( 25.502 -25.502 -15.213) 39.143 20.766 ( 26.554 -26.554 -13.655) 39.959 32.252 ( -2.558 2.558 -0.037) 3.618 ======================= Grid point 42 (31/328) ======================= q-point: (-0.14 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.113 ( 32.466 -32.466 -23.092) 51.394 4.573 ( 42.454 -42.454 -1.307) 60.053 7.250 ( 61.401 -61.401 -40.381) 95.765 20.025 ( 23.086 -23.086 -11.704) 34.683 20.046 ( 23.802 -23.802 -10.622) 35.298 32.300 ( -1.813 1.813 -0.063) 2.564 ======================= Grid point 43 (32/328) ======================= q-point: (-0.09 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 37.719 -37.719 -17.732) 56.212 3.534 ( 47.495 -47.495 -0.243) 67.168 5.351 ( 68.441 -68.441 -30.481) 101.476 19.439 ( 18.708 -18.708 -6.407) 27.222 19.456 ( 19.238 -19.238 -5.774) 27.813 32.335 ( -1.264 1.264 -0.032) 1.788 ======================= Grid point 44 (33/328) ======================= q-point: (-0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1529 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 42.486 -42.486 0.000) 60.084 2.405 ( 50.972 -50.972 0.000) 72.086 3.503 ( 74.545 -74.545 0.000) 105.422 19.037 ( 12.989 -12.989 0.000) 18.369 19.047 ( 13.391 -13.391 0.000) 18.938 32.358 ( -0.802 0.802 0.000) 1.134 ======================= Grid point 47 (34/328) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 834 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( -0.000 0.000 67.677) 67.677 3.330 ( -0.000 0.000 67.677) 67.677 4.554 ( -0.000 0.000 94.167) 94.167 19.344 ( -0.000 0.000 25.530) 25.530 19.344 ( -0.000 0.000 25.530) 25.530 32.322 ( 0.000 -0.000 -2.597) 2.597 ======================= Grid point 48 (35/328) ======================= q-point: ( 0.14 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.073 ( -1.045 1.045 63.132) 63.149 4.174 ( -7.839 7.839 61.334) 62.328 5.958 ( -28.448 28.448 83.503) 92.689 19.734 ( -6.010 6.010 30.415) 31.580 19.734 ( -6.034 6.034 30.245) 31.426 32.288 ( -0.058 0.058 -3.529) 3.530 ======================= Grid point 49 (36/328) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.840 ( -6.449 6.449 55.529) 56.273 5.047 ( -10.780 10.780 53.060) 55.206 7.616 ( -37.813 37.813 70.695) 88.643 20.298 ( -11.105 11.105 33.343) 36.856 20.304 ( -11.274 11.274 34.068) 37.614 32.242 ( 0.006 -0.006 -4.643) 4.643 ======================= Grid point 50 (37/328) ======================= q-point: ( 0.23 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.622 ( -9.873 9.873 48.051) 50.039 5.864 ( -11.372 11.372 45.150) 47.928 9.259 ( -40.556 40.556 58.820) 82.155 20.984 ( -14.572 14.572 34.422) 40.120 21.009 ( -14.819 14.819 36.194) 41.823 32.179 ( 0.193 -0.193 -6.066) 6.072 ======================= Grid point 51 (38/328) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.380 ( -11.259 11.259 42.006) 44.923 6.596 ( -11.037 11.037 38.119) 41.191 10.796 ( -40.294 40.294 47.639) 74.275 21.728 ( -16.000 16.000 33.385) 40.330 21.785 ( -16.040 16.040 36.771) 43.204 32.092 ( 0.499 -0.499 -7.872) 7.903 ======================= Grid point 52 (39/328) ======================= q-point: ( 0.32 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.089 ( -11.070 11.070 37.139) 40.304 7.240 ( -10.270 10.270 31.825) 34.982 12.178 ( -38.145 38.145 36.832) 65.320 22.456 ( -15.333 15.333 30.492) 37.416 22.560 ( -14.827 14.827 36.058) 41.712 31.975 ( 0.809 -0.809 -9.956) 10.022 ======================= Grid point 53 (40/328) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.727 ( -9.488 9.488 32.790) 35.429 7.791 ( -8.996 8.996 25.901) 28.857 13.370 ( -34.400 34.400 26.103) 55.209 23.107 ( -12.876 12.876 26.246) 31.944 23.268 ( -11.467 11.467 34.434) 38.062 31.830 ( 0.839 -0.839 -11.990) 12.049 ======================= Grid point 54 (41/328) ======================= q-point: ( 0.41 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.237 ( -6.922 6.922 20.005) 22.272 8.263 ( -6.576 6.576 28.418) 29.901 14.335 ( -29.020 29.020 15.228) 43.775 23.632 ( -9.128 9.128 21.222) 24.840 23.857 ( -6.459 6.459 32.162) 33.434 31.670 ( 0.203 -0.203 -13.457) 13.460 ======================= Grid point 55 (42/328) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.556 ( -3.816 3.816 13.955) 14.962 8.667 ( -2.457 2.457 23.817) 24.069 15.032 ( -21.926 21.926 4.191) 31.291 24.003 ( -4.607 4.607 15.911) 17.193 24.288 ( -0.384 0.384 29.208) 29.213 31.525 ( -1.384 1.384 -13.797) 13.935 ======================= Grid point 56 (43/328) ======================= q-point: ( 0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.723 ( 0.312 -0.312 7.799) 7.812 8.912 ( 2.603 -2.603 19.156) 19.507 15.422 ( -13.245 13.245 -6.686) 19.889 24.204 ( 0.301 -0.301 10.636) 10.644 24.535 ( 6.154 -6.154 25.254) 26.711 31.430 ( -3.812 3.812 -12.671) 13.770 ======================= Grid point 57 (44/328) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.715 ( 5.161 -5.161 1.807) 7.519 8.983 ( 8.188 -8.188 14.881) 18.856 15.479 ( -3.445 3.445 -16.744) 17.438 24.232 ( 5.382 -5.382 5.556) 9.424 24.580 ( 12.543 -12.543 20.026) 26.753 31.416 ( -6.443 6.443 -10.255) 13.718 ======================= Grid point 58 (45/328) ======================= q-point: (-0.41 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.528 ( 10.234 -10.234 -3.637) 14.923 8.881 ( 13.835 -13.835 11.491) 22.690 15.199 ( 6.764 -6.764 -25.209) 26.963 24.085 ( 10.542 -10.542 0.760) 14.928 24.420 ( 18.288 -18.288 13.695) 29.265 31.487 ( -8.392 8.392 -7.284) 13.925 ======================= Grid point 59 (46/328) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.170 ( 15.030 -15.030 -8.170) 22.772 8.620 ( 19.169 -19.169 9.300) 28.660 14.604 ( 16.726 -16.726 -31.505) 39.396 23.769 ( 15.658 -15.658 -3.597) 22.435 24.062 ( 23.132 -23.132 6.944) 33.443 31.622 ( -9.090 9.090 -4.625) 13.662 ======================= Grid point 60 (47/328) ======================= q-point: (-0.32 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.663 ( 19.236 -19.236 -11.552) 29.555 8.225 ( 24.028 -24.028 8.269) 34.972 13.728 ( 26.089 -26.089 -35.380) 51.118 23.292 ( 20.467 -20.467 -7.199) 29.826 23.530 ( 26.989 -26.989 0.697) 38.175 31.784 ( -8.552 8.552 -2.758) 12.405 ======================= Grid point 61 (48/328) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.036 ( 22.821 -22.821 -13.647) 35.040 7.717 ( 28.478 -28.478 7.990) 41.059 12.616 ( 34.840 -34.840 -36.757) 61.471 22.679 ( 24.519 -24.519 -9.584) 35.975 22.858 ( 29.717 -29.717 -4.136) 42.229 31.941 ( -7.205 7.205 -1.666) 10.325 ======================= Grid point 62 (49/328) ======================= q-point: (-0.23 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.316 ( 26.027 -26.027 -14.304) 39.489 7.107 ( 32.733 -32.733 7.780) 46.941 11.308 ( 43.163 -43.163 -35.400) 70.564 21.968 ( 27.260 -27.260 -10.251) 39.891 22.095 ( 31.040 -31.040 -6.814) 44.423 32.072 ( -5.575 5.575 -1.063) 7.956 ======================= Grid point 63 (50/328) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.526 ( 29.257 -29.257 -13.123) 43.407 6.395 ( 36.980 -36.980 6.822) 52.741 9.848 ( 51.262 -51.262 -30.468) 78.638 21.220 ( 28.167 -28.167 -8.842) 40.803 21.306 ( 30.652 -30.652 -6.908) 43.896 32.172 ( -4.062 4.062 -0.655) 5.781 ======================= Grid point 64 (51/328) ======================= q-point: (-0.14 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.686 ( 32.817 -32.817 -9.087) 47.291 5.567 ( 41.168 -41.168 4.292) 58.379 8.290 ( 59.124 -59.124 -19.895) 85.948 20.503 ( 26.936 -26.936 -5.307) 38.461 20.560 ( 28.408 -28.408 -4.458) 40.421 32.245 ( -2.853 2.853 -0.295) 4.045 ======================= Grid point 65 (52/328) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( 36.363 -36.363 0.000) 51.426 4.606 ( 44.957 -44.957 0.000) 63.578 6.733 ( 65.909 -65.909 0.000) 93.210 19.889 ( 23.634 -23.634 0.000) 33.424 19.925 ( 24.466 -24.466 0.000) 34.600 32.298 ( -1.952 1.952 0.000) 2.760 ======================= Grid point 70 (53/328) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 828 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.787 ( -0.000 0.000 59.480) 59.480 4.787 ( -0.000 0.000 59.480) 59.480 6.604 ( -0.000 0.000 84.616) 84.616 20.038 ( -0.000 0.000 34.546) 34.546 20.038 ( -0.000 0.000 34.546) 34.546 32.241 ( 0.000 -0.000 -4.594) 4.594 ======================= Grid point 71 (54/328) ======================= q-point: ( 0.18 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.431 ( 0.286 -0.286 55.296) 55.297 5.492 ( -4.379 4.379 53.659) 54.015 7.779 ( -20.153 20.153 74.955) 80.191 20.514 ( -5.447 5.447 37.274) 38.061 20.519 ( -5.843 5.843 37.562) 38.460 32.182 ( -0.007 0.007 -5.840) 5.840 ======================= Grid point 72 (55/328) ======================= q-point: ( 0.23 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.061 ( -2.612 2.612 50.646) 50.781 6.192 ( -6.326 6.326 46.692) 47.541 9.144 ( -29.362 29.362 62.270) 74.845 21.122 ( -9.699 9.699 38.115) 40.507 21.151 ( -10.677 10.677 39.395) 42.189 32.105 ( 0.150 -0.150 -7.424) 7.427 ======================= Grid point 73 (56/328) ======================= q-point: ( 0.27 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.706 ( -5.309 5.309 46.014) 46.623 6.840 ( -6.968 6.968 39.882) 41.081 10.504 ( -33.114 33.114 49.490) 68.135 21.808 ( -12.221 12.221 36.975) 40.815 21.888 ( -13.595 13.595 40.093) 44.464 32.002 ( 0.455 -0.455 -9.457) 9.479 ======================= Grid point 74 (57/328) ======================= q-point: ( 0.32 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.347 ( -6.657 6.657 41.887) 42.932 7.419 ( -6.950 6.950 33.584) 34.993 11.769 ( -33.928 33.928 37.051) 60.622 22.505 ( -12.763 12.763 34.064) 38.551 22.668 ( -14.104 14.104 39.918) 44.624 31.866 ( 0.795 -0.795 -11.920) 11.973 ======================= Grid point 75 (58/328) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.923 ( -6.405 6.405 27.688) 29.132 7.957 ( -6.412 6.412 38.097) 39.162 12.888 ( -32.680 32.680 24.933) 52.513 23.151 ( -11.422 11.422 29.836) 33.928 23.425 ( -12.153 12.153 39.224) 42.824 31.694 ( 0.895 -0.895 -14.584) 14.639 ======================= Grid point 76 (59/328) ======================= q-point: ( 0.41 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.340 ( -5.147 5.147 21.955) 23.130 8.499 ( -4.568 4.568 34.293) 34.896 13.821 ( -29.582 29.582 13.078) 43.832 23.695 ( -8.565 8.565 24.835) 27.632 24.102 ( -7.976 7.976 38.216) 39.845 31.498 ( 0.311 -0.311 -16.993) 16.999 ======================= Grid point 77 (60/328) ======================= q-point: ( 0.45 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.653 ( -2.920 2.920 16.214) 16.731 8.938 ( -1.274 1.274 30.287) 30.341 14.527 ( -24.622 24.622 1.556) 34.856 24.101 ( -4.665 4.665 19.560) 20.642 24.648 ( -1.941 1.941 36.698) 36.801 31.304 ( -1.409 1.409 -18.489) 18.597 ======================= Grid point 78 (61/328) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.836 ( 0.395 -0.395 10.475) 10.490 9.241 ( 3.161 -3.161 26.184) 26.563 14.971 ( -17.846 17.846 -9.299) 26.897 24.351 ( -0.148 0.148 14.362) 14.364 25.015 ( 5.426 -5.426 33.986) 34.842 31.155 ( -4.385 4.385 -18.337) 19.358 ======================= Grid point 79 (62/328) ======================= q-point: (-0.45 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.868 ( 4.653 -4.653 4.954) 8.236 9.388 ( 8.293 -8.293 22.328) 25.220 15.124 ( -9.552 9.552 -18.869) 23.207 24.435 ( 4.697 -4.697 9.435) 11.538 25.165 ( 13.260 -13.260 29.288) 34.778 31.098 ( -7.989 7.989 -16.127) 19.690 ======================= Grid point 81 (63/328) ======================= q-point: (-0.41 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.735 ( 9.460 -9.460 0.007) 13.379 9.373 ( 13.627 -13.627 19.106) 27.137 14.977 ( -0.299 0.299 -26.401) 26.404 24.352 ( 9.712 -9.712 4.878) 14.576 25.076 ( 20.421 -20.421 22.568) 36.652 31.153 ( -10.950 10.950 -12.347) 19.805 ======================= Grid point 82 (64/328) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.439 ( 14.316 -14.316 -3.985) 20.635 9.207 ( 18.735 -18.735 16.712) 31.325 14.542 ( 9.290 -9.290 -31.243) 33.893 24.104 ( 14.775 -14.775 0.821) 20.911 24.755 ( 26.110 -26.110 14.865) 39.804 31.305 ( -12.254 12.254 -8.276) 19.204 ======================= Grid point 83 (65/328) ======================= q-point: (-0.32 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.997 ( 18.791 -18.791 -6.723) 27.412 8.905 ( 23.362 -23.362 14.958) 36.267 13.850 ( 18.762 -18.762 -32.978) 42.327 23.699 ( 19.670 -19.670 -2.471) 27.927 24.236 ( 30.199 -30.199 7.589) 43.378 31.508 ( -11.808 11.808 -4.995) 17.430 ======================= Grid point 84 (66/328) ======================= q-point: (-0.27 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.436 ( 22.655 -22.655 -7.999) 33.023 8.484 ( 27.463 -27.463 13.229) 41.029 12.945 ( 27.937 -27.937 -31.307) 50.410 23.156 ( 24.028 -24.028 -4.589) 34.290 23.565 ( 32.843 -32.843 1.879) 46.485 31.717 ( -10.175 10.175 -2.801) 14.660 ======================= Grid point 85 (67/328) ======================= q-point: (-0.23 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.789 ( 25.905 -25.905 -7.608) 37.417 7.951 ( 31.153 -31.153 10.589) 45.311 11.874 ( 36.821 -36.821 -25.774) 58.103 22.510 ( 27.358 -27.358 -5.070) 39.021 22.797 ( 34.067 -34.067 -1.499) 48.201 31.902 ( -8.049 8.049 -1.452) 11.475 ======================= Grid point 86 (68/328) ======================= q-point: (-0.18 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.089 ( 28.690 -28.690 -5.181) 40.904 7.297 ( 34.615 -34.615 6.128) 49.335 10.692 ( 45.382 -45.382 -15.576) 66.043 21.809 ( 29.153 -29.153 -3.564) 41.382 21.995 ( 33.753 -33.753 -2.127) 47.781 32.050 ( -5.963 5.963 -0.589) 8.453 ======================= Grid point 87 (69/328) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1529 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.372 ( 31.111 -31.111 0.000) 43.997 6.502 ( 38.000 -38.000 0.000) 53.740 9.469 ( 53.204 -53.204 0.000) 75.242 21.118 ( 29.042 -29.042 0.000) 41.072 21.227 ( 31.825 -31.825 0.000) 45.007 32.163 ( -4.208 4.208 0.000) 5.951 ======================= Grid point 94 (70/328) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 834 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.043 ( -0.000 0.000 50.321) 50.321 6.043 ( -0.000 0.000 50.321) 50.321 8.403 ( -0.000 0.000 72.408) 72.408 20.893 ( -0.000 0.000 39.623) 39.623 20.893 ( -0.000 0.000 39.623) 39.623 32.109 ( 0.000 -0.000 -7.000) 7.000 ======================= Grid point 95 (71/328) ======================= q-point: ( 0.23 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.594 ( -0.353 0.353 46.457) 46.460 6.620 ( -2.475 2.475 45.029) 45.164 9.360 ( -14.370 14.370 62.969) 66.167 21.407 ( -4.703 4.703 40.189) 40.736 21.420 ( -5.784 5.784 40.611) 41.427 32.019 ( 0.227 -0.227 -8.409) 8.415 ======================= Grid point 96 (72/328) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.139 ( -2.516 2.516 43.464) 43.609 7.174 ( -3.665 3.665 39.170) 39.512 10.439 ( -22.253 22.253 50.603) 59.591 22.010 ( -8.103 8.103 38.921) 40.573 22.075 ( -10.499 10.499 40.786) 43.405 31.902 ( 0.714 -0.714 -10.262) 10.311 ======================= Grid point 97 (73/328) ======================= q-point: ( 0.32 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.679 ( -4.118 4.118 33.403) 33.907 7.703 ( -4.513 4.513 40.913) 41.408 11.502 ( -26.170 26.170 37.513) 52.697 22.648 ( -9.799 9.799 35.999) 38.575 22.816 ( -13.255 13.255 40.493) 44.622 31.748 ( 1.342 -1.342 -12.646) 12.788 ======================= Grid point 98 (74/328) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.123 ( -4.064 4.064 27.880) 28.466 8.271 ( -5.206 5.206 38.601) 39.297 12.474 ( -27.574 27.574 24.439) 46.022 23.263 ( -9.681 9.681 31.821) 34.642 23.588 ( -13.571 13.571 40.129) 44.482 31.551 ( 1.843 -1.843 -15.489) 15.707 ======================= Grid point 99 (75/328) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.498 ( -3.432 3.432 22.521) 23.039 8.810 ( -4.198 4.198 36.245) 36.728 13.308 ( -27.001 27.001 11.705) 39.939 23.803 ( -7.926 7.926 26.888) 29.131 24.335 ( -11.298 11.298 39.965) 43.041 31.314 ( 1.738 -1.738 -18.524) 18.687 ======================= Grid point 100 (76/328) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.789 ( -1.992 1.992 17.227) 17.456 9.278 ( -1.515 1.515 33.623) 33.691 13.965 ( -24.552 24.552 -0.372) 34.724 24.229 ( -4.899 4.899 21.683) 22.763 24.999 ( -6.415 6.415 39.879) 40.897 31.059 ( 0.361 -0.361 -21.241) 21.247 ======================= Grid point 101 (77/328) ======================= q-point: ( 0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.976 ( 0.457 -0.457 12.006) 12.024 9.637 ( 2.528 -2.528 30.701) 30.909 14.412 ( -20.222 20.222 -11.308) 30.753 24.517 ( -1.007 1.007 16.575) 16.636 25.518 ( 1.039 -1.039 39.007) 39.035 30.831 ( -2.905 2.905 -22.728) 23.097 ======================= Grid point 102 (78/328) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.036 ( 3.925 -3.925 7.035) 8.961 9.857 ( 7.429 -7.429 27.627) 29.557 14.625 ( -14.126 14.126 -20.408) 28.558 24.652 ( 3.414 -3.414 11.785) 12.736 25.819 ( 10.480 -10.480 35.725) 38.677 30.695 ( -7.897 7.897 -21.673) 24.381 ======================= Grid point 103 (79/328) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.953 ( 8.170 -8.170 2.631) 11.850 9.927 ( 12.619 -12.619 24.570) 30.367 14.591 ( -6.602 6.602 -26.854) 28.431 24.629 ( 8.140 -8.140 7.434) 13.704 25.840 ( 20.027 -20.027 28.950) 40.500 30.709 ( -12.859 12.859 -17.464) 25.213 ======================= Grid point 104 (80/328) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.723 ( 12.767 -12.767 -0.841) 18.075 9.844 ( 17.594 -17.594 21.506) 32.888 14.318 ( 1.866 -1.866 -29.881) 29.997 24.450 ( 13.010 -13.010 3.639) 18.756 25.573 ( 27.473 -27.473 19.992) 43.695 30.872 ( -15.564 15.564 -11.671) 24.913 ======================= Grid point 105 (81/328) ======================= q-point: (-0.32 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.356 ( 17.246 -17.246 -3.063) 24.581 9.617 ( 22.014 -22.014 18.057) 35.991 13.834 ( 10.821 -10.821 -28.901) 32.702 24.121 ( 17.826 -17.826 0.623) 25.217 25.063 ( 32.239 -32.239 11.390) 46.994 31.129 ( -15.516 15.516 -6.604) 22.915 ======================= Grid point 106 (82/328) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.874 ( 21.237 -21.237 -3.803) 30.273 9.251 ( 25.760 -25.760 13.541) 38.865 13.178 ( 19.950 -19.950 -23.530) 36.738 23.656 ( 22.276 -22.276 -1.256) 31.528 24.383 ( 34.908 -34.908 4.784) 49.599 31.411 ( -13.647 13.647 -3.179) 19.560 ======================= Grid point 107 (83/328) ======================= q-point: (-0.23 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.310 ( 24.525 -24.525 -2.866) 34.802 8.746 ( 28.932 -28.932 7.377) 41.576 12.401 ( 29.023 -29.023 -13.680) 43.264 23.085 ( 25.938 -25.938 -1.577) 36.716 23.599 ( 35.972 -35.972 0.886) 50.880 31.669 ( -11.008 11.008 -1.147) 15.610 ======================= Grid point 108 (84/328) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.700 ( 27.031 -27.031 0.000) 38.227 8.094 ( 31.807 -31.807 0.000) 44.982 11.556 ( 37.701 -37.701 0.000) 53.318 22.451 ( 28.355 -28.355 0.000) 40.100 22.781 ( 35.575 -35.575 0.000) 50.311 31.884 ( -8.319 8.319 0.000) 11.765 ======================= Grid point 117 (85/328) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 828 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.090 ( -0.000 0.000 41.307) 41.307 7.090 ( -0.000 0.000 41.307) 41.307 9.902 ( -0.000 0.000 58.534) 58.534 21.818 ( -0.000 0.000 40.540) 40.540 21.818 ( -0.000 0.000 40.540) 40.540 31.921 ( 0.000 -0.000 -9.386) 9.386 ======================= Grid point 118 (86/328) ======================= q-point: ( 0.27 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.553 ( -1.370 1.370 36.617) 36.668 7.557 ( -1.718 1.718 37.883) 37.961 10.645 ( -10.024 10.024 49.319) 51.316 22.321 ( -3.899 3.899 39.177) 39.563 22.346 ( -5.946 5.946 39.738) 40.618 31.799 ( 0.686 -0.686 -10.667) 10.711 ======================= Grid point 119 (87/328) ======================= q-point: ( 0.32 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.983 ( -2.022 2.022 31.650) 31.779 8.046 ( -4.241 4.241 35.903) 36.401 11.447 ( -16.039 16.039 37.523) 43.846 22.876 ( -6.518 6.518 36.279) 37.432 22.990 ( -10.942 10.942 38.700) 41.679 31.641 ( 1.746 -1.746 -12.459) 12.701 ======================= Grid point 120 (88/328) ======================= q-point: ( 0.36 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.366 ( -2.210 2.210 26.708) 26.890 8.569 ( -5.992 5.992 34.782) 35.799 12.213 ( -19.423 19.423 24.662) 36.915 23.432 ( -7.570 7.570 32.193) 33.926 23.717 ( -14.060 14.060 37.906) 42.805 31.432 ( 2.930 -2.930 -14.841) 15.408 ======================= Grid point 121 (89/328) ======================= q-point: ( 0.41 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.692 ( -1.962 1.962 21.852) 22.028 9.103 ( -6.004 6.004 34.072) 35.114 12.885 ( -20.986 20.986 11.569) 31.853 23.943 ( -7.025 7.025 27.369) 29.117 24.483 ( -14.726 14.726 37.756) 43.119 31.167 ( 3.800 -3.800 -17.777) 18.572 ======================= Grid point 122 (90/328) ======================= q-point: ( 0.45 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.951 ( -1.120 1.120 17.070) 17.144 9.607 ( -3.967 3.967 33.391) 33.859 13.427 ( -21.012 21.012 -1.077) 29.735 24.368 ( -5.079 5.079 22.264) 23.394 25.235 ( -12.532 12.532 38.414) 42.305 30.857 ( 3.636 -3.636 -21.124) 21.741 ======================= Grid point 123 (91/328) ======================= q-point: ( 0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.127 ( 0.537 -0.537 12.397) 12.421 10.033 ( -0.087 0.087 32.397) 32.397 13.814 ( -19.502 19.502 -12.443) 30.257 24.676 ( -2.054 2.054 17.249) 17.492 25.910 ( -6.876 6.876 39.460) 40.641 30.535 ( 1.318 -1.318 -24.428) 24.499 ======================= Grid point 124 (92/328) ======================= q-point: ( 0.55 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.203 ( 3.137 -3.137 7.987) 9.136 10.340 ( 5.053 -5.053 30.756) 31.576 14.031 ( -16.358 16.358 -21.450) 31.548 24.851 ( 1.720 -1.720 12.569) 12.802 26.414 ( 3.021 -3.021 39.061) 39.293 30.271 ( -4.413 4.413 -26.116) 26.851 ======================= Grid point 125 (93/328) ======================= q-point: (-0.41 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.162 ( 6.603 -6.603 4.112) 10.204 10.497 ( 10.667 -10.667 28.056) 31.855 14.073 ( -11.543 11.543 -26.859) 31.430 24.883 ( 5.973 -5.973 8.367) 11.890 26.620 ( 16.027 -16.027 33.630) 40.555 30.179 ( -12.737 12.737 -23.013) 29.224 ======================= Grid point 126 (94/328) ======================= q-point: (-0.36 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.994 ( 10.647 -10.647 1.107) 15.098 10.489 ( 15.981 -15.981 23.762) 32.794 13.951 ( -5.154 5.154 -27.521) 28.470 24.770 ( 10.495 -10.495 4.762) 15.588 26.445 ( 26.958 -26.958 22.842) 44.444 30.328 ( -18.662 18.662 -15.047) 30.381 ======================= Grid point 127 (95/328) ======================= q-point: (-0.32 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.704 ( 14.848 -14.848 -0.722) 21.010 10.308 ( 20.444 -20.444 17.392) 33.741 13.690 ( 2.570 -2.570 -22.789) 23.077 24.515 ( 15.073 -15.073 1.946) 21.405 25.948 ( 33.005 -33.005 12.005) 48.195 30.647 ( -19.601 19.601 -7.377) 28.684 ======================= Grid point 128 (96/328) ======================= q-point: (-0.27 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.306 ( 18.777 -18.777 -1.146) 26.580 9.952 ( 23.888 -23.888 9.044) 34.973 13.324 ( 11.243 -11.243 -13.035) 20.560 24.131 ( 19.424 -19.424 0.231) 27.471 25.248 ( 35.737 -35.737 4.267) 50.719 31.021 ( -17.501 17.501 -2.534) 24.879 ======================= Grid point 129 (97/328) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1529 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.830 ( 22.087 -22.087 0.000) 31.235 9.426 ( 26.568 -26.568 0.000) 37.573 12.887 ( 20.290 -20.290 0.000) 28.694 23.642 ( 23.180 -23.180 0.000) 32.782 24.439 ( 36.572 -36.572 0.000) 51.720 31.373 ( -14.308 14.308 0.000) 20.234 ======================= Grid point 140 (98/328) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 834 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.937 ( -0.000 0.000 32.976) 32.976 7.937 ( -0.000 0.000 32.976) 32.976 11.075 ( -0.000 0.000 44.122) 44.122 22.719 ( -0.000 0.000 37.809) 37.809 22.719 ( -0.000 0.000 37.809) 37.809 31.684 ( 0.000 -0.000 -11.115) 11.115 ======================= Grid point 141 (99/328) ======================= q-point: ( 0.32 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.300 ( -0.693 0.693 28.837) 28.853 8.331 ( -3.342 3.342 29.972) 30.342 11.614 ( -6.528 6.528 35.472) 36.654 23.174 ( -3.134 3.134 35.002) 35.282 23.213 ( -6.414 6.414 35.679) 36.815 31.539 ( 1.374 -1.374 -11.936) 12.094 ======================= Grid point 142 (100/328) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.624 ( -0.946 0.946 24.535) 24.572 8.783 ( -6.843 6.843 28.603) 30.196 12.156 ( -10.400 10.400 24.667) 28.719 23.650 ( -5.111 5.111 31.069) 31.899 23.824 ( -12.097 12.097 33.895) 37.968 31.343 ( 3.234 -3.234 -13.316) 14.080 ======================= Grid point 143 (101/328) ======================= q-point: ( 0.41 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.901 ( -0.864 0.864 20.218) 20.255 9.292 ( -8.938 8.938 28.461) 31.142 12.636 ( -12.639 12.639 12.688) 21.919 24.105 ( -5.714 5.714 26.409) 27.618 24.531 ( -16.063 16.063 32.901) 39.982 31.083 ( 5.231 -5.231 -15.347) 17.037 ======================= Grid point 144 (102/328) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.123 ( -0.391 0.391 15.944) 15.953 9.827 ( -8.658 8.658 29.241) 31.701 13.015 ( -13.900 13.900 0.266) 19.659 24.503 ( -4.945 4.945 21.442) 22.554 25.297 ( -17.631 17.631 33.037) 41.390 30.753 ( 6.837 -6.837 -18.127) 20.545 ======================= Grid point 145 (103/328) ======================= q-point: ( 0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.280 ( 0.648 -0.648 11.782) 11.818 10.338 ( -5.627 5.627 30.560) 31.579 13.275 ( -14.566 14.566 -11.706) 23.694 24.813 ( -2.978 2.978 16.532) 17.060 26.074 ( -16.064 16.064 34.514) 41.320 30.362 ( 7.103 -7.103 -21.846) 24.045 ======================= Grid point 146 (104/328) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.358 ( 2.430 -2.430 7.877) 8.594 10.763 ( -0.040 0.040 31.519) 31.519 13.418 ( -14.762 14.762 -21.676) 30.095 25.011 ( -0.073 0.073 11.941) 11.941 26.789 ( -9.644 9.644 37.082) 39.511 29.950 ( 3.936 -3.936 -26.480) 27.058 ======================= Grid point 147 (105/328) ======================= q-point: (-0.41 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.345 ( 5.017 -5.017 4.465) 8.383 11.039 ( 7.144 -7.144 30.092) 31.743 13.466 ( -14.106 14.106 -26.938) 33.521 25.086 ( 3.502 -3.502 7.835) 9.269 27.289 ( 5.298 -5.298 37.139) 37.887 29.642 ( -6.716 6.716 -28.774) 30.301 ======================= Grid point 149 (106/328) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.229 ( 8.282 -8.282 1.838) 11.856 11.106 ( 14.052 -14.052 23.618) 30.866 13.462 ( -11.449 11.449 -24.352) 29.244 25.030 ( 7.503 -7.503 4.343) 11.465 27.307 ( 24.192 -24.192 24.802) 42.257 29.681 ( -20.636 20.636 -19.087) 34.871 ======================= Grid point 150 (107/328) ======================= q-point: (-0.32 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.009 ( 11.927 -11.927 0.278) 16.869 10.932 ( 18.935 -18.935 12.181) 29.418 13.440 ( -5.760 5.760 -13.887) 16.100 24.844 ( 11.688 -11.688 1.640) 16.611 26.826 ( 32.744 -32.744 9.189) 47.210 30.069 ( -23.917 23.917 -6.434) 34.430 ======================= Grid point 151 (108/328) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.695 ( 15.558 -15.558 0.000) 22.002 10.532 ( 21.841 -21.841 0.000) 30.888 13.402 ( 2.321 -2.321 0.000) 3.283 24.537 ( 15.775 -15.775 0.000) 22.309 26.090 ( 35.254 -35.254 0.000) 49.856 30.559 ( -21.342 21.342 0.000) 30.182 ======================= Grid point 164 (109/328) ======================= q-point: ( 0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 828 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.603 ( -0.000 0.000 25.422) 25.422 8.603 ( -0.000 0.000 25.422) 25.422 11.925 ( -0.000 0.000 30.415) 30.415 23.526 ( -0.000 0.000 32.365) 32.365 23.526 ( -0.000 0.000 32.365) 32.365 31.422 ( 0.000 -0.000 -11.585) 11.585 ======================= Grid point 165 (110/328) ======================= q-point: ( 0.36 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.877 ( -0.246 0.246 21.718) 21.720 8.933 ( -5.005 5.005 22.725) 23.802 12.277 ( -3.571 3.571 22.848) 23.400 23.905 ( -2.484 2.484 28.651) 28.865 23.960 ( -7.183 7.183 29.384) 31.090 31.265 ( 2.245 -2.245 -11.697) 12.121 ======================= Grid point 166 (111/328) ======================= q-point: ( 0.41 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.109 ( -0.195 0.195 17.901) 17.903 9.357 ( -9.839 9.839 21.637) 25.725 12.589 ( -5.184 5.184 13.639) 15.485 24.284 ( -3.984 3.984 24.212) 24.859 24.525 ( -13.858 13.858 27.130) 33.468 31.045 ( 5.067 -5.067 -12.387) 14.311 ======================= Grid point 167 (112/328) ======================= q-point: ( 0.45 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.293 ( 0.111 -0.111 14.078) 14.079 9.870 ( -12.967 12.967 22.007) 28.646 12.814 ( -5.722 5.722 3.408) 8.780 24.631 ( -4.321 4.321 19.428) 20.367 25.206 ( -19.035 19.035 25.847) 37.320 30.746 ( 8.126 -8.126 -13.715) 17.893 ======================= Grid point 168 (113/328) ======================= q-point: ( 0.50 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.423 ( 0.751 -0.751 10.347) 10.401 10.437 ( -13.321 13.321 23.940) 30.463 12.924 ( -5.955 5.955 -7.459) 11.250 24.917 ( -3.490 3.490 14.647) 15.456 25.974 ( -22.065 22.065 25.711) 40.433 30.358 ( 11.006 -11.006 -15.847) 22.212 ======================= Grid point 169 (114/328) ======================= q-point: ( 0.55 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.492 ( 1.876 -1.876 6.849) 7.345 11.004 ( -9.864 9.864 27.580) 30.907 12.920 ( -7.006 7.006 -18.547) 21.028 25.118 ( -1.622 1.622 10.141) 10.397 26.787 ( -22.265 22.265 27.067) 41.522 29.882 ( 12.931 -12.931 -19.315) 26.598 ======================= Grid point 170 (115/328) ======================= q-point: ( 0.59 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.491 ( 3.618 -3.618 3.791) 6.368 11.477 ( -0.810 0.810 30.955) 30.976 12.850 ( -11.042 11.042 -27.346) 31.490 25.218 ( 1.078 -1.078 6.097) 6.285 27.582 ( -16.890 16.890 31.311) 39.382 29.342 ( 10.865 -10.865 -25.810) 30.037 ======================= Grid point 171 (116/328) ======================= q-point: (-0.36 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.411 ( 5.992 -5.992 1.424) 8.592 11.662 ( 12.053 -12.053 20.923) 26.988 12.880 ( -16.830 16.830 -20.350) 31.316 25.206 ( 4.376 -4.376 2.661) 6.736 28.086 ( 14.083 -14.083 30.755) 36.641 28.975 ( -15.621 15.621 -27.858) 35.554 ======================= Grid point 172 (117/328) ======================= q-point: (-0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1529 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.249 ( 8.855 -8.855 0.000) 12.523 11.426 ( 17.308 -17.308 0.000) 24.477 13.131 ( -13.557 13.557 0.000) 19.172 25.079 ( 8.011 -8.011 0.000) 11.329 27.627 ( 31.557 -31.557 0.000) 44.629 29.427 ( -27.938 27.938 0.000) 39.511 ======================= Grid point 187 (118/328) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 834 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.105 ( -0.000 0.000 18.524) 18.524 9.105 ( -0.000 0.000 18.524) 18.524 12.481 ( -0.000 0.000 18.662) 18.662 24.186 ( -0.000 0.000 25.199) 25.199 24.186 ( -0.000 0.000 25.199) 25.199 31.167 ( 0.000 -0.000 -10.476) 10.476 ======================= Grid point 188 (119/328) ======================= q-point: ( 0.41 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.297 ( 0.064 -0.064 15.137) 15.137 9.374 ( -6.559 6.559 15.980) 18.478 12.678 ( -1.060 1.060 12.712) 12.800 24.475 ( -1.986 1.986 21.022) 21.209 24.546 ( -8.127 8.127 21.706) 24.561 31.016 ( 3.186 -3.186 -9.800) 10.786 ======================= Grid point 189 (120/328) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.446 ( 0.331 -0.331 11.684) 11.693 9.773 ( -12.848 12.848 14.759) 23.409 12.805 ( -0.538 0.538 5.784) 5.834 24.750 ( -3.180 3.180 16.457) 17.060 25.054 ( -15.876 15.876 18.964) 29.389 30.791 ( 6.982 -6.982 -9.603) 13.774 ======================= Grid point 190 (121/328) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.548 ( 0.774 -0.774 8.283) 8.354 10.292 ( -17.611 17.611 14.679) 28.910 12.826 ( 0.951 -0.951 -1.506) 2.018 24.989 ( -3.409 3.409 11.828) 12.773 25.698 ( -22.302 22.302 16.804) 35.737 30.474 ( 11.150 -11.150 -9.724) 18.525 ======================= Grid point 191 (122/328) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.599 ( 1.461 -1.461 5.074) 5.479 10.901 ( -20.182 20.182 15.764) 32.606 12.723 ( 2.976 -2.976 -8.724) 9.686 25.170 ( -2.642 2.642 7.411) 8.299 26.445 ( -26.959 26.959 14.770) 40.887 30.056 ( 15.567 -15.567 -9.858) 24.121 ======================= Grid point 192 (123/328) ======================= q-point: ( 0.59 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.596 ( 2.514 -2.514 2.240) 4.202 11.561 ( -20.099 20.099 18.479) 33.903 12.491 ( 4.947 -4.947 -15.920) 17.390 25.274 ( -0.964 0.964 3.414) 3.676 27.251 ( -29.933 29.933 11.658) 43.908 29.537 ( 20.301 -20.301 -9.044) 30.101 ======================= Grid point 193 (124/328) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.534 ( 4.024 -4.024 0.000) 5.691 12.116 ( 12.878 -12.878 0.000) 18.212 12.250 ( -23.733 23.733 0.000) 33.563 25.288 ( 1.455 -1.455 0.000) 2.057 28.046 ( -31.737 31.737 0.000) 44.883 28.941 ( 25.567 -25.567 0.000) 36.158 ======================= Grid point 210 (125/328) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 828 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.454 ( -0.000 0.000 12.101) 12.101 9.454 ( -0.000 0.000 12.101) 12.101 12.800 ( -0.000 0.000 9.795) 9.795 24.671 ( -0.000 0.000 17.109) 17.109 24.671 ( -0.000 0.000 17.109) 17.109 30.954 ( 0.000 -0.000 -7.880) 7.880 ======================= Grid point 211 (126/328) ======================= q-point: ( 0.45 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.572 ( 0.271 -0.271 8.934) 8.943 9.666 ( -7.829 7.829 9.522) 14.603 12.883 ( 0.884 -0.884 5.752) 5.886 24.862 ( -1.656 1.656 12.769) 12.982 24.947 ( -9.015 9.015 13.267) 18.400 30.828 ( 4.015 -4.015 -6.489) 8.622 ======================= Grid point 212 (127/328) ======================= q-point: ( 0.50 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.645 ( 0.653 -0.653 5.764) 5.838 10.029 ( -15.267 15.267 7.587) 22.885 12.882 ( 2.927 -2.927 1.596) 4.437 25.034 ( -2.704 2.704 8.297) 9.136 25.384 ( -17.549 17.549 9.781) 26.677 30.618 ( 8.514 -8.514 -5.261) 13.139 ======================= Grid point 213 (128/328) ======================= q-point: ( 0.55 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.673 ( 1.115 -1.115 2.731) 3.154 10.525 ( -21.277 21.277 5.348) 30.561 12.784 ( 5.685 -5.685 -1.363) 8.155 25.170 ( -2.962 2.962 3.965) 5.768 25.960 ( -24.594 24.594 5.889) 35.276 30.318 ( 13.251 -13.251 -3.564) 19.075 ======================= Grid point 214 (129/328) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1529 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.657 ( 1.705 -1.705 0.000) 2.411 11.097 ( -25.031 25.031 0.000) 35.399 12.605 ( 8.537 -8.537 0.000) 12.073 25.254 ( -2.364 2.364 0.000) 3.344 26.619 ( -29.370 29.370 0.000) 41.536 29.939 ( 17.834 -17.834 0.000) 25.222 ======================= Grid point 235 (130/328) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 834 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.660 ( -0.000 0.000 5.978) 5.978 9.660 ( -0.000 0.000 5.978) 5.978 12.952 ( -0.000 0.000 3.926) 3.926 24.966 ( -0.000 0.000 8.619) 8.619 24.966 ( -0.000 0.000 8.619) 8.619 30.815 ( 0.000 -0.000 -4.208) 4.208 ======================= Grid point 236 (131/328) ======================= q-point: ( 0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.707 ( 0.377 -0.377 2.954) 3.002 9.811 ( -8.569 8.569 3.169) 12.525 12.962 ( 1.982 -1.982 1.549) 3.203 25.057 ( -1.493 1.493 4.275) 4.768 25.150 ( -9.561 9.561 4.459) 14.238 30.727 ( 4.511 -4.511 -2.266) 6.770 ======================= Grid point 237 (132/328) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.711 ( 0.763 -0.763 0.000) 1.079 10.116 ( -16.231 16.231 0.000) 22.955 12.898 ( 4.256 -4.256 0.000) 6.019 25.128 ( -2.547 2.547 0.000) 3.603 25.497 ( -18.211 18.211 0.000) 25.755 30.557 ( 9.112 -9.112 0.000) 12.887 ======================= Grid point 261 (133/328) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.729 ( -0.000 0.000 0.000) 0.000 9.729 ( -0.000 0.000 0.000) 0.000 12.995 ( -0.000 0.000 0.000) 0.000 25.064 ( -0.000 0.000 0.000) 0.000 25.064 ( -0.000 0.000 0.000) 0.000 30.766 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 546 (134/328) ======================= q-point: ( 0.14 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( -0.000 7.996 61.658) 62.174 3.708 ( -0.000 30.853 59.415) 66.948 5.317 ( -0.000 54.660 81.142) 97.835 19.479 ( -0.000 11.959 25.201) 27.894 19.494 ( -0.000 12.960 25.252) 28.383 32.321 ( 0.000 -0.289 -2.488) 2.505 ======================= Grid point 547 (135/328) ======================= q-point: ( 0.18 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.149 ( -11.088 12.608 52.602) 55.216 4.700 ( 2.537 32.931 52.308) 61.863 6.970 ( -23.549 54.365 71.198) 92.625 19.995 ( -5.967 17.068 29.377) 34.495 20.020 ( -5.255 18.396 29.637) 35.276 32.283 ( -0.152 -0.710 -3.343) 3.421 ======================= Grid point 548 (136/328) ======================= q-point: ( 0.23 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.017 ( -16.073 14.257 44.401) 49.326 5.595 ( 3.392 31.767 45.440) 55.547 8.664 ( -33.920 50.858 60.844) 86.250 20.658 ( -10.465 20.491 31.678) 39.152 20.695 ( -9.121 22.324 32.528) 40.492 32.230 ( -0.307 -1.290 -4.453) 4.646 ======================= Grid point 549 (137/328) ======================= q-point: ( 0.27 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.846 ( -17.678 14.381 37.991) 44.301 6.388 ( 3.514 29.278 39.208) 49.060 10.274 ( -38.037 46.252 50.876) 78.578 21.403 ( -12.915 21.830 31.774) 40.656 21.460 ( -10.843 24.165 33.748) 42.900 32.157 ( -0.416 -2.080 -5.911) 6.280 ======================= Grid point 550 (138/328) ======================= q-point: ( 0.32 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.613 ( -17.339 13.616 32.867) 39.576 7.082 ( 3.359 26.323 33.688) 42.885 11.740 ( -38.760 40.909 41.162) 69.787 22.154 ( -13.180 21.046 29.808) 38.796 22.243 ( -10.037 23.777 33.352) 42.172 32.055 ( -0.530 -3.034 -7.672) 8.267 ======================= Grid point 551 (139/328) ======================= q-point: ( 0.36 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.299 ( -15.609 12.046 28.206) 34.414 7.683 ( 3.350 22.981 28.671) 36.897 13.024 ( -37.132 34.782 31.427) 59.802 22.846 ( -11.484 18.436 26.227) 34.053 22.974 ( -6.859 21.405 31.647) 38.816 31.925 ( -0.857 -3.918 -9.480) 10.294 ======================= Grid point 552 (140/328) ======================= q-point: ( 0.41 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.881 ( -12.618 9.654 23.264) 28.172 8.183 ( 3.969 18.954 23.915) 30.772 14.090 ( -33.429 27.674 21.399) 48.386 23.423 ( -8.272 14.535 21.591) 27.310 23.596 ( -1.868 17.446 29.002) 33.896 31.774 ( -1.719 -4.331 -10.879) 11.835 ======================= Grid point 553 (141/328) ======================= q-point: ( 0.45 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.329 ( -8.341 6.594 17.554) 20.523 8.565 ( 5.547 13.853 19.342) 24.429 14.897 ( -27.642 19.414 10.936) 35.505 23.852 ( -4.052 9.909 16.423) 19.604 24.067 ( 4.186 12.312 25.626) 28.737 31.626 ( -3.385 -3.851 -11.340) 12.445 ======================= Grid point 554 (142/328) ======================= q-point: ( 0.50 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.614 ( -2.762 3.261 10.963) 11.767 8.807 ( 8.082 7.440 15.084) 18.660 15.403 ( -19.821 10.054 0.189) 22.226 24.114 ( 0.742 4.990 11.102) 12.194 24.361 ( 10.514 6.371 21.479) 24.748 31.516 ( -5.806 -2.302 -10.503) 12.219 ======================= Grid point 555 (143/328) ======================= q-point: (-0.45 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2673 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.712 ( 3.905 0.000 3.905) 5.522 8.890 ( 11.314 0.000 11.314) 16.001 15.576 ( -10.318 0.000 -10.318) 14.592 24.202 ( 5.838 0.000 5.838) 8.256 24.460 ( 16.420 -0.000 16.420) 23.221 31.475 ( -8.452 0.000 -8.452) 11.953 ======================= Grid point 570 (144/328) ======================= q-point: ( 0.18 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.695 ( -0.000 -2.874 58.645) 58.716 5.033 ( -0.000 20.683 55.509) 59.237 7.133 ( -0.000 40.573 76.545) 86.633 20.165 ( -0.000 11.069 34.157) 35.905 20.180 ( -0.000 12.332 34.198) 36.354 32.241 ( 0.000 -0.129 -4.635) 4.637 ======================= Grid point 571 (145/328) ======================= q-point: ( 0.23 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.363 ( -7.442 0.862 52.216) 52.751 5.864 ( 3.935 24.022 48.781) 54.517 8.544 ( -18.464 42.820 65.503) 80.406 20.753 ( -5.247 15.331 36.252) 39.709 20.786 ( -4.837 17.307 36.793) 40.947 32.177 ( -0.158 -0.571 -6.006) 6.035 ======================= Grid point 572 (146/328) ======================= q-point: ( 0.27 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.063 ( -11.721 3.681 45.812) 47.430 6.607 ( 6.059 24.656 42.517) 49.521 9.983 ( -28.314 41.512 53.726) 73.562 21.442 ( -8.623 17.867 36.226) 41.303 21.510 ( -8.084 20.488 38.149) 44.050 32.091 ( -0.310 -1.248 -7.774) 7.880 ======================= Grid point 573 (147/328) ======================= q-point: ( 0.32 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.751 ( -13.579 5.158 40.058) 42.611 7.263 ( 6.935 23.751 37.028) 44.534 11.344 ( -33.023 38.608 42.103) 65.983 22.164 ( -9.940 18.391 34.218) 40.099 22.289 ( -8.932 21.427 38.301) 44.787 31.976 ( -0.476 -2.106 -9.960) 10.192 ======================= Grid point 574 (148/328) ======================= q-point: ( 0.36 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.396 ( -13.498 5.394 34.522) 37.458 7.839 ( 7.221 21.775 32.416) 39.713 12.568 ( -34.433 34.568 30.710) 57.651 22.851 ( -9.261 16.966 30.632) 36.220 23.057 ( -7.179 20.100 37.513) 43.160 31.826 ( -0.841 -2.942 -12.388) 12.760 ======================= Grid point 575 (149/328) ======================= q-point: ( 0.41 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.960 ( -11.530 4.743 28.456) 31.067 8.336 ( 7.363 18.467 28.689) 34.905 13.610 ( -33.274 29.388 19.435) 48.462 23.447 ( -6.887 13.980 25.993) 30.307 23.751 ( -3.115 16.709 36.084) 39.887 31.649 ( -1.748 -3.362 -14.649) 15.132 ======================= Grid point 576 (150/328) ======================= q-point: ( 0.45 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.406 ( -7.609 3.680 21.495) 23.097 8.744 ( 7.711 13.327 25.650) 29.917 14.431 ( -29.746 22.937 8.221) 38.451 23.912 ( -3.275 9.952 20.826) 23.313 24.320 ( 2.700 11.545 34.071) 36.075 31.464 ( -3.570 -2.868 -16.148) 16.785 ======================= Grid point 577 (151/328) ======================= q-point: ( 0.50 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.701 ( -2.196 2.129 14.181) 14.507 9.042 ( 8.879 6.612 22.674) 25.232 14.990 ( -23.917 15.183 -2.768) 28.464 24.220 ( 1.113 5.350 15.540) 16.473 24.720 ( 9.543 4.953 31.140) 32.944 31.310 ( -6.417 -1.119 -16.238) 17.496 ======================= Grid point 578 (152/328) ======================= q-point: ( 0.55 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.824 ( 3.888 -0.400 7.303) 8.283 9.202 ( 11.406 -0.630 19.407) 22.519 15.252 ( -16.021 6.361 -13.052) 21.622 24.362 ( 5.930 0.486 10.385) 11.969 24.917 ( 16.527 -2.539 26.747) 31.543 31.227 ( -9.806 1.691 -14.549) 17.626 ======================= Grid point 579 (153/328) ======================= q-point: (-0.41 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.768 ( 10.156 -3.811 1.234) 10.917 9.207 ( 15.074 -7.603 16.256) 23.437 15.200 ( -6.589 -2.995 -21.916) 23.080 24.333 ( 10.978 -4.491 5.489) 13.070 24.892 ( 22.728 -10.098 20.717) 32.368 31.245 ( -12.692 4.676 -11.408) 17.694 ======================= Grid point 580 (154/328) ======================= q-point: (-0.36 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.536 ( 16.304 -7.525 -3.809) 18.356 9.059 ( 19.294 -13.888 13.784) 27.479 14.839 ( 3.677 -12.242 -28.656) 31.377 24.134 ( 16.139 -9.487 0.969) 18.746 24.645 ( 27.610 -16.842 13.649) 35.103 31.356 ( -14.124 6.752 -7.829) 17.503 ======================= Grid point 581 (155/328) ======================= q-point: (-0.32 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.144 ( 22.041 -10.953 -7.611) 25.762 8.771 ( 23.619 -19.255 12.214) 32.829 14.193 ( 14.170 -20.888 -32.810) 41.396 23.772 ( 21.254 -14.322 -2.950) 25.799 24.198 ( 31.219 -22.243 6.627) 38.901 31.528 ( -13.867 7.387 -4.821) 16.435 ======================= Grid point 582 (156/328) ======================= q-point: (-0.27 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.618 ( 27.220 -13.691 -10.005) 32.070 8.364 ( 27.880 -23.666 11.315) 38.281 13.301 ( 24.568 -28.743 -34.160) 50.957 23.261 ( 26.028 -18.645 -5.890) 32.555 23.588 ( 33.828 -26.103 0.706) 42.734 31.718 ( -12.339 6.762 -2.791) 14.345 ======================= Grid point 583 (157/328) ======================= q-point: (-0.23 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.991 ( 31.968 -15.547 -10.851) 37.167 7.854 ( 32.144 -27.248 10.449) 43.415 12.208 ( 34.826 -35.874 -32.480) 59.622 22.628 ( 30.015 -21.955 -7.381) 37.913 22.861 ( 35.522 -28.280 -3.275) 45.522 31.893 ( -10.183 5.416 -1.593) 11.644 ======================= Grid point 584 (158/328) ======================= q-point: (-0.18 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.294 ( 36.669 -16.487 -9.905) 41.407 7.244 ( 36.603 -30.148 8.722) 48.215 10.958 ( 45.019 -42.427 -27.182) 67.570 21.922 ( 32.686 -23.717 -6.989) 40.984 22.075 ( 36.131 -28.581 -4.754) 46.314 32.036 ( -7.962 3.887 -0.882) 8.904 ======================= Grid point 585 (159/328) ======================= q-point: (-0.14 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.560 ( 41.797 -16.497 -6.631) 45.421 6.522 ( 41.447 -32.344 5.236) 52.834 9.608 ( 55.090 -48.383 -16.961) 75.256 21.201 ( 33.568 -23.527 -4.490) 41.237 21.296 ( 35.406 -26.883 -3.557) 44.598 32.145 ( -6.029 2.527 -0.380) 6.548 ======================= Grid point 586 (160/328) ======================= q-point: (-0.09 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.825 ( 47.484 -15.337 0.000) 49.900 5.671 ( 46.780 -33.539 0.000) 57.561 8.238 ( 64.409 -53.089 0.000) 83.468 20.537 ( 32.418 -21.240 0.000) 38.757 20.591 ( 33.223 -23.329 0.000) 40.596 32.225 ( -4.508 1.470 -0.000) 4.742 ======================= Grid point 593 (161/328) ======================= q-point: ( 0.23 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.952 ( -0.000 -5.282 51.071) 51.343 6.222 ( -0.000 15.195 48.172) 50.511 8.779 ( -0.000 30.024 66.827) 73.262 21.011 ( -0.000 10.097 39.166) 40.447 21.028 ( -0.000 11.646 39.289) 40.979 32.106 ( 0.000 -0.332 -7.228) 7.236 ======================= Grid point 594 (162/328) ======================= q-point: ( 0.27 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.498 ( -5.858 -3.060 46.519) 46.986 6.909 ( 4.260 18.702 42.445) 46.577 9.932 ( -14.358 33.077 55.386) 66.089 21.621 ( -3.979 13.641 39.063) 41.567 21.673 ( -5.003 16.211 40.107) 43.548 32.006 ( 0.012 -1.011 -9.002) 9.059 ======================= Grid point 595 (163/328) ======================= q-point: ( 0.32 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.070 ( -9.453 -0.822 41.694) 42.760 7.524 ( 6.882 20.068 37.597) 43.170 11.093 ( -23.165 33.023 42.928) 58.906 22.286 ( -6.195 15.463 37.027) 40.601 22.412 ( -8.062 18.892 40.214) 45.156 31.873 ( 0.046 -1.944 -11.267) 11.433 ======================= Grid point 596 (164/328) ======================= q-point: ( 0.36 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.634 ( -10.616 0.670 36.339) 37.864 8.075 ( 7.904 19.579 34.014) 40.035 12.176 ( -27.974 31.306 30.367) 51.815 22.943 ( -6.564 15.374 33.471) 37.413 23.188 ( -8.538 19.303 39.836) 45.083 31.701 ( -0.060 -2.932 -13.966) 14.271 ======================= Grid point 597 (165/328) ======================= q-point: ( 0.41 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.143 ( -9.079 1.717 29.889) 31.284 8.571 ( 7.607 16.870 31.863) 36.847 13.127 ( -29.770 28.295 18.019) 44.851 23.536 ( -5.183 13.561 28.882) 32.325 23.940 ( -6.368 17.324 39.277) 43.398 31.491 ( -0.663 -3.583 -16.835) 17.225 ======================= Grid point 598 (166/328) ======================= q-point: ( 0.45 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.552 ( -5.332 2.448 22.694) 23.440 9.010 ( 6.994 11.834 30.349) 33.317 13.903 ( -28.956 23.979 6.070) 38.083 24.019 ( -2.387 10.420 23.766) 26.059 24.609 ( -1.750 12.977 38.582) 40.743 31.258 ( -2.279 -3.305 -19.372) 19.783 ======================= Grid point 599 (167/328) ======================= q-point: ( 0.50 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.833 ( -0.724 2.012 15.805) 15.949 9.363 ( 7.691 5.530 28.278) 29.822 14.464 ( -25.657 18.289 -5.183) 31.932 24.364 ( 1.390 6.394 18.547) 19.667 25.139 ( 4.960 6.323 37.252) 38.109 31.040 ( -5.349 -1.464 -20.799) 21.526 ======================= Grid point 600 (168/328) ======================= q-point: ( 0.55 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.971 ( 4.179 -0.023 9.617) 10.486 9.596 ( 10.147 -1.101 25.524) 27.489 14.780 ( -20.016 11.309 -15.218) 27.570 24.554 ( 5.759 1.847 13.505) 14.798 25.472 ( 13.052 -2.303 34.190) 36.669 30.891 ( -9.713 2.116 -20.151) 22.470 ======================= Grid point 601 (169/328) ======================= q-point: (-0.41 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.954 ( 9.418 -3.272 4.198) 10.818 9.685 ( 13.779 -7.617 22.608) 27.550 14.828 ( -12.389 3.369 -23.323) 26.623 24.583 ( 10.456 -2.986 8.794) 13.985 25.556 ( 21.126 -11.734 28.468) 37.342 30.863 ( -14.109 6.481 -16.933) 22.974 ======================= Grid point 602 (170/328) ======================= q-point: (-0.36 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.777 ( 14.900 -7.085 -0.271) 16.501 9.625 ( 17.877 -13.675 19.950) 30.077 14.610 ( -3.341 -5.025 -28.759) 29.385 24.449 ( 15.321 -7.956 4.529) 17.848 25.374 ( 27.623 -20.135 20.626) 39.924 30.971 ( -16.796 9.806 -12.093) 22.902 ======================= Grid point 603 (171/328) ======================= q-point: (-0.32 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.450 ( 20.325 -10.838 -3.534) 23.304 9.424 ( 21.945 -18.971 17.586) 33.922 14.142 ( 6.526 -13.396 -30.940) 34.341 24.156 ( 20.213 -12.883 0.897) 23.986 24.952 ( 32.056 -26.334 12.472) 43.320 31.177 ( -17.093 10.981 -7.443) 21.637 ======================= Grid point 604 (172/328) ======================= q-point: (-0.27 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.993 ( 25.395 -14.038 -5.359) 29.508 9.095 ( 25.770 -23.326 15.083) 37.891 13.460 ( 16.760 -21.465 -29.465) 40.122 23.718 ( 24.898 -17.467 -1.776) 30.466 24.344 ( 34.905 -30.252 5.614) 46.530 31.423 ( -15.558 10.238 -4.057) 19.061 ======================= Grid point 605 (173/328) ======================= q-point: (-0.23 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.437 ( 29.981 -16.356 -5.554) 34.601 8.647 ( 29.389 -26.732 11.652) 41.401 12.611 ( 27.089 -29.161 -23.983) 46.468 23.158 ( 29.013 -21.274 -3.061) 36.107 23.611 ( 36.650 -32.146 0.978) 48.760 31.661 ( -13.094 8.398 -1.959) 15.678 ======================= Grid point 606 (174/328) ======================= q-point: (-0.18 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.819 ( 34.164 -17.608 -3.890) 38.631 8.075 ( 33.029 -29.297 6.542) 44.632 11.645 ( 37.280 -36.465 -14.138) 54.032 22.514 ( 32.098 -23.810 -2.546) 40.046 22.814 ( 37.395 -32.147 -0.943) 49.323 31.864 ( -10.429 6.215 -0.733) 12.162 ======================= Grid point 607 (175/328) ======================= q-point: (-0.14 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.179 ( 38.113 -17.690 0.000) 42.018 7.367 ( 37.011 -31.169 0.000) 48.387 10.622 ( 46.892 -43.132 0.000) 63.712 21.841 ( 33.711 -24.643 0.000) 41.758 22.021 ( 37.020 -30.319 0.000) 47.851 32.025 ( -8.012 4.182 -0.000) 9.037 ======================= Grid point 616 (176/328) ======================= q-point: ( 0.27 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.024 ( -0.000 -4.442 42.653) 42.884 7.231 ( -0.000 12.091 40.097) 41.880 10.167 ( -0.000 21.781 54.342) 58.545 21.925 ( -0.000 9.145 40.141) 41.170 21.945 ( -0.000 11.070 40.299) 41.792 31.910 ( 0.000 -0.964 -9.841) 9.888 ======================= Grid point 617 (177/328) ======================= q-point: ( 0.32 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.478 ( -4.796 -2.962 39.131) 39.535 7.801 ( 3.364 15.491 35.528) 38.904 11.059 ( -10.837 24.579 42.947) 50.656 22.511 ( -2.249 12.186 38.180) 40.141 22.591 ( -5.902 15.454 39.659) 42.971 31.768 ( 0.400 -2.128 -11.733) 11.931 ======================= Grid point 618 (178/328) ======================= q-point: ( 0.36 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.948 ( -6.799 -1.131 34.700) 35.378 8.326 ( 4.772 16.701 32.705) 37.032 11.932 ( -18.201 25.016 30.358) 43.344 23.111 ( -3.478 13.473 34.680) 37.367 23.324 ( -9.223 18.092 39.008) 43.978 31.581 ( 0.839 -3.512 -14.166) 14.619 ======================= Grid point 619 (179/328) ======================= q-point: ( 0.41 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.383 ( -5.471 0.851 28.780) 29.308 8.827 ( 4.073 15.077 31.900) 35.517 12.724 ( -22.693 24.057 17.465) 37.400 23.675 ( -3.130 13.005 30.174) 33.006 24.090 ( -9.914 18.417 38.634) 43.933 31.344 ( 0.985 -4.745 -17.072) 17.746 ======================= Grid point 620 (180/328) ======================= q-point: ( 0.45 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.739 ( -2.272 2.396 22.265) 22.509 9.301 ( 3.254 10.952 31.782) 33.773 13.388 ( -24.698 21.945 4.870) 33.396 24.156 ( -1.313 11.016 25.140) 27.479 24.836 ( -7.815 16.084 38.743) 42.670 31.065 ( 0.259 -5.204 -20.218) 20.878 ======================= Grid point 621 (181/328) ======================= q-point: ( 0.50 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.994 ( 1.165 2.464 16.207) 16.435 9.714 ( 4.275 5.493 31.002) 31.774 13.891 ( -24.331 18.648 -6.812) 31.404 24.522 ( 1.644 7.857 19.998) 21.549 25.500 ( -2.733 10.717 39.047) 40.584 30.771 ( -2.152 -3.960 -23.092) 23.528 ======================= Grid point 622 (182/328) ======================= q-point: ( 0.55 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.135 ( 4.759 0.891 10.771) 11.809 10.024 ( 7.175 -0.651 29.361) 30.232 14.208 ( -21.600 14.103 -16.810) 30.791 24.750 ( 5.365 3.886 15.050) 16.444 26.007 ( 5.487 1.869 38.258) 38.695 30.521 ( -6.978 -0.005 -24.508) 25.482 ======================= Grid point 623 (183/328) ======================= q-point: (-0.41 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.148 ( 8.823 -1.962 5.996) 10.846 10.199 ( 11.181 -7.024 27.015) 30.070 14.320 ( -16.602 8.375 -24.208) 30.525 24.830 ( 9.543 -0.606 10.478) 14.186 26.259 ( 15.893 -9.875 34.002) 38.810 30.401 ( -13.587 6.479 -22.465) 27.042 ======================= Grid point 625 (184/328) ======================= q-point: (-0.36 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.024 ( 13.387 -5.577 2.079) 14.650 10.223 ( 15.506 -13.113 23.996) 31.436 14.227 ( -9.633 1.691 -28.077) 29.732 24.758 ( 13.969 -5.401 6.404) 16.289 26.183 ( 25.331 -21.278 25.416) 41.718 30.475 ( -18.883 12.492 -16.474) 28.000 ======================= Grid point 626 (185/328) ======================= q-point: (-0.32 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.764 ( 18.197 -9.399 -0.706) 20.493 10.094 ( 19.591 -18.436 20.057) 33.556 13.945 ( -1.148 -5.651 -27.662) 28.257 24.536 ( 18.482 -10.288 2.997) 21.363 25.797 ( 31.433 -29.100 15.513) 45.558 30.716 ( -20.477 15.009 -9.607) 27.145 ======================= Grid point 627 (186/328) ======================= q-point: (-0.27 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.384 ( 22.898 -12.901 -2.110) 26.367 9.813 ( 23.193 -22.670 14.746) 35.627 13.505 ( 8.342 -13.396 -22.558) 27.531 24.173 ( 22.880 -14.982 0.537) 27.354 25.185 ( 34.828 -33.253 7.403) 48.719 31.035 ( -19.122 14.288 -4.549) 24.300 ======================= Grid point 628 (187/328) ======================= q-point: (-0.23 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.908 ( 27.204 -15.643 -1.933) 31.440 9.382 ( 26.403 -25.738 7.821) 37.693 12.947 ( 18.315 -21.344 -12.955) 30.965 23.691 ( 26.869 -19.094 -0.591) 32.968 24.436 ( 36.709 -34.788 2.158) 50.620 31.356 ( -16.391 11.890 -1.567) 20.310 ======================= Grid point 629 (188/328) ======================= q-point: (-0.18 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.373 ( 30.973 -17.289 0.000) 35.472 8.800 ( 29.569 -27.838 0.000) 40.612 12.315 ( 28.180 -29.203 -0.000) 40.582 23.122 ( 30.070 -22.175 0.000) 37.362 23.623 ( 37.560 -34.324 0.000) 50.881 31.638 ( -13.313 8.982 -0.000) 16.059 ======================= Grid point 640 (189/328) ======================= q-point: ( 0.32 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.905 ( -0.000 -2.289 34.502) 34.578 8.057 ( -0.000 10.315 32.292) 33.899 11.255 ( -0.000 15.027 40.745) 43.428 22.819 ( -0.000 8.478 37.610) 38.554 22.843 ( -0.000 10.727 37.705) 39.201 31.661 ( 0.000 -2.065 -11.802) 11.981 ======================= Grid point 641 (190/328) ======================= q-point: ( 0.36 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.284 ( -2.805 -0.786 31.281) 31.416 8.537 ( 0.608 13.458 28.989) 31.966 11.891 ( -7.668 16.894 29.876) 35.167 23.344 ( -0.186 11.220 34.310) 36.098 23.463 ( -7.595 15.269 36.111) 39.935 31.477 ( 1.028 -3.944 -13.444) 14.048 ======================= Grid point 642 (191/328) ======================= q-point: ( 0.41 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.647 ( -1.775 1.306 26.405) 26.496 9.025 ( -1.329 13.911 28.425) 31.674 12.481 ( -13.215 17.163 17.756) 28.008 23.853 ( -0.679 12.130 29.928) 32.299 24.176 ( -11.641 18.360 35.146) 41.327 31.236 ( 2.138 -5.987 -15.676) 16.916 ======================= Grid point 643 (192/328) ======================= q-point: ( 0.45 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.948 ( 0.786 2.958 20.819) 21.043 9.529 ( -2.869 11.755 29.338) 31.735 12.980 ( -16.977 16.576 5.191) 24.288 24.308 ( 0.107 11.445 25.007) 27.502 24.937 ( -13.106 19.094 35.072) 42.028 30.933 ( 2.861 -7.674 -18.518) 20.249 ======================= Grid point 644 (193/328) ======================= q-point: ( 0.50 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.169 ( 3.184 3.233 15.575) 16.223 10.012 ( -1.817 7.633 30.291) 31.291 13.360 ( -19.137 15.399 -6.962) 25.531 24.674 ( 2.078 9.390 19.954) 22.151 25.695 ( -11.535 16.803 36.051) 41.413 30.579 ( 2.374 -8.117 -21.960) 23.532 ======================= Grid point 645 (194/328) ======================= q-point: ( 0.55 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.301 ( 5.601 2.093 10.820) 12.362 10.420 ( 1.735 1.839 30.660) 30.765 13.608 ( -19.661 13.637 -17.512) 29.651 24.925 ( 4.945 6.256 15.083) 17.061 26.380 ( -5.901 10.304 37.650) 39.478 30.211 ( -0.798 -5.682 -25.661) 26.294 ======================= Grid point 646 (195/328) ======================= q-point: ( 0.59 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.332 ( 8.463 -0.230 6.627) 10.751 10.701 ( 6.857 -5.028 29.674) 30.868 13.723 ( -18.300 11.086 -24.810) 32.762 25.045 ( 8.409 2.336 10.600) 13.731 26.874 ( 5.414 -2.343 37.285) 37.748 29.926 ( -8.655 2.042 -27.352) 28.761 ======================= Grid point 647 (196/328) ======================= q-point: (-0.36 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.251 ( 11.924 -3.409 3.195) 12.807 10.815 ( 12.329 -11.945 26.217) 31.337 13.719 ( -14.687 7.365 -26.981) 31.590 25.027 ( 12.228 -2.101 6.646) 14.075 26.993 ( 20.071 -19.095 29.265) 40.298 29.887 ( -19.096 13.421 -21.679) 31.855 ======================= Grid point 648 (197/328) ======================= q-point: (-0.32 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.055 ( 15.845 -7.020 0.792) 17.349 10.739 ( 17.075 -17.776 19.457) 31.402 13.619 ( -8.615 2.059 -22.808) 24.468 24.871 ( 16.207 -6.797 3.380) 17.897 26.670 ( 29.627 -30.397 16.042) 45.377 30.147 ( -23.855 19.289 -11.177) 32.650 ======================= Grid point 649 (198/328) ======================= q-point: (-0.27 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.751 ( 19.913 -10.578 -0.336) 22.551 10.464 ( 20.694 -21.841 9.970) 31.697 13.449 ( -0.431 -4.907 -12.936) 13.843 24.582 ( 20.153 -11.451 1.050) 23.203 26.048 ( 33.791 -34.858 5.841) 48.898 30.558 ( -22.895 18.710 -3.741) 29.803 ======================= Grid point 650 (199/328) ======================= q-point: (-0.23 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.359 ( 23.789 -13.599 0.000) 27.402 10.002 ( 23.587 -24.280 -0.000) 33.851 13.224 ( 8.903 -13.001 -0.000) 15.757 24.180 ( 23.811 -15.690 0.000) 28.516 25.272 ( 35.786 -35.840 -0.000) 50.647 30.982 ( -19.859 15.585 -0.000) 25.245 ======================= Grid point 663 (200/328) ======================= q-point: ( 0.36 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.606 ( -0.000 0.316 26.927) 26.929 8.712 ( -0.000 9.309 25.041) 26.715 12.034 ( -0.000 9.234 27.554) 29.060 23.624 ( -0.000 8.314 32.442) 33.491 23.649 ( -0.000 10.654 32.392) 34.099 31.380 ( 0.000 -3.596 -12.453) 12.962 ======================= Grid point 664 (201/328) ======================= q-point: ( 0.41 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.909 ( 1.030 2.297 23.420) 23.555 9.131 ( -4.491 12.239 23.070) 26.499 12.433 ( -4.706 9.739 17.821) 20.846 24.063 ( 2.046 10.855 28.301) 30.380 24.225 ( -9.989 15.752 30.286) 35.569 31.166 ( 1.886 -6.359 -13.510) 15.050 ======================= Grid point 665 (202/328) ======================= q-point: ( 0.45 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.160 ( 3.401 3.875 18.663) 19.362 9.623 ( -8.758 13.183 23.697) 28.496 12.758 ( -8.044 9.251 6.940) 14.087 24.467 ( 1.965 11.470 23.533) 26.253 24.915 ( -15.122 19.766 29.157) 38.334 30.879 ( 3.976 -9.269 -15.194) 18.237 ======================= Grid point 666 (203/328) ======================= q-point: ( 0.50 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.345 ( 5.118 4.208 14.094) 15.574 10.158 ( -9.823 11.948 25.496) 29.821 12.980 ( -10.523 8.565 -4.533) 14.306 24.809 ( 2.890 10.636 18.593) 21.614 25.676 ( -17.886 21.490 29.220) 40.442 30.515 ( 5.803 -11.786 -17.661) 22.011 ======================= Grid point 667 (204/328) ======================= q-point: ( 0.55 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.459 ( 6.626 3.408 9.902) 12.392 10.682 ( -7.232 7.794 28.174) 30.113 13.092 ( -12.751 8.388 -15.813) 21.977 25.061 ( 4.743 8.539 13.795) 16.903 26.465 ( -17.580 20.047 30.796) 40.735 30.078 ( 6.449 -12.893 -21.313) 25.731 ======================= Grid point 668 (205/328) ======================= q-point: ( 0.59 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.495 ( 8.397 1.620 6.183) 10.553 11.117 ( -0.863 0.293 30.417) 30.431 13.116 ( -15.327 9.402 -24.875) 30.694 25.206 ( 7.300 5.418 9.369) 13.055 27.207 ( -11.783 12.885 34.227) 38.423 29.608 ( 3.209 -9.665 -26.758) 28.631 ======================= Grid point 669 (206/328) ======================= q-point: (-0.36 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.443 ( 10.689 -0.990 3.130) 11.182 11.364 ( 7.981 -9.497 27.409) 30.086 13.120 ( -17.568 11.074 -26.324) 33.530 25.230 ( 10.330 1.544 5.477) 11.794 27.697 ( 7.406 -8.513 34.242) 36.053 29.278 ( -12.125 6.884 -29.020) 32.196 ======================= Grid point 670 (207/328) ======================= q-point: (-0.32 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.298 ( 13.514 -4.157 0.991) 14.174 11.322 ( 14.918 -17.159 14.766) 27.111 13.190 ( -15.786 9.602 -15.502) 24.118 25.130 ( 13.625 -2.790 2.278) 14.093 27.520 ( 27.231 -30.571 14.082) 43.295 29.479 ( -27.126 23.699 -11.436) 37.792 ======================= Grid point 671 (208/328) ======================= q-point: (-0.27 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.064 ( 16.686 -7.505 0.000) 18.296 10.992 ( 18.328 -20.501 -0.000) 27.500 13.325 ( -9.046 3.359 -0.000) 9.650 24.910 ( 16.978 -7.250 0.000) 18.461 26.863 ( 31.925 -34.838 -0.000) 47.254 30.011 ( -26.436 22.915 -0.000) 34.985 ======================= Grid point 686 (209/328) ======================= q-point: ( 0.41 0.36 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.140 ( -0.000 2.959 19.893) 20.112 9.207 ( -0.000 8.751 18.319) 20.302 12.529 ( -0.000 4.155 16.228) 16.752 24.290 ( -0.000 8.703 25.518) 26.961 24.311 ( -0.000 10.795 25.309) 27.515 31.104 ( 0.000 -5.401 -11.411) 12.625 ======================= Grid point 687 (210/328) ======================= q-point: ( 0.45 0.36 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.358 ( 5.228 4.967 16.028) 17.575 9.593 ( -10.213 12.302 17.261) 23.528 12.726 ( -1.927 3.115 8.365) 9.132 24.628 ( 4.169 10.977 20.932) 24.000 24.836 ( -12.721 16.825 22.868) 31.110 30.874 ( 2.903 -9.096 -11.638) 15.054 ======================= Grid point 688 (211/328) ======================= q-point: ( 0.50 0.36 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.508 ( 6.757 5.324 11.952) 14.725 10.100 ( -15.321 15.160 17.814) 27.963 12.826 ( -2.693 1.380 -0.250) 3.036 24.922 ( 4.168 11.321 16.131) 20.143 25.494 ( -19.099 22.070 21.249) 36.103 30.560 ( 6.223 -12.993 -12.361) 18.983 ======================= Grid point 689 (212/328) ======================= q-point: ( 0.55 0.36 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.598 ( 7.678 4.728 8.186) 12.179 10.682 ( -17.356 15.710 19.862) 30.701 12.809 ( -2.882 -0.291 -9.395) 9.831 25.153 ( 4.949 10.348 11.419) 16.186 26.251 ( -23.557 25.336 20.425) 40.175 30.150 ( 9.737 -16.781 -13.615) 23.702 ======================= Grid point 690 (213/328) ======================= q-point: ( 0.59 0.36 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.626 ( 8.589 3.376 4.811) 10.407 11.290 ( -15.292 12.513 24.326) 31.340 12.675 ( -3.906 -0.476 -19.400) 19.795 25.300 ( 6.456 8.198 7.039) 12.587 27.065 ( -25.846 26.302 20.421) 42.153 29.641 ( 13.146 -20.054 -15.643) 28.630 ======================= Grid point 691 (214/328) ======================= q-point: (-0.36 0.36 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.588 ( 9.794 1.341 2.007) 10.087 11.809 ( -2.302 -0.961 29.769) 29.873 12.499 ( -12.971 7.719 -28.395) 32.157 25.350 ( 8.531 5.088 3.176) 10.428 27.894 ( -24.887 23.864 22.553) 41.201 29.036 ( 15.155 -21.344 -20.012) 32.950 ======================= Grid point 693 (215/328) ======================= q-point: (-0.32 0.36 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.478 ( 11.443 -1.250 0.000) 11.511 11.779 ( 13.437 -16.540 -0.000) 21.310 12.715 ( -22.409 16.608 -0.000) 27.893 25.293 ( 10.988 1.307 0.000) 11.066 28.288 ( 25.932 -31.193 -0.000) 40.565 28.747 ( -31.221 29.112 -0.000) 42.688 ======================= Grid point 710 (216/328) ======================= q-point: ( 0.45 0.41 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.518 ( -0.000 5.356 13.206) 14.250 9.553 ( -0.000 8.456 11.998) 14.678 12.799 ( -0.000 -0.118 7.907) 7.908 24.783 ( -0.000 9.465 17.522) 19.915 24.798 ( -0.000 11.036 17.237) 20.467 30.871 ( 0.000 -7.192 -8.701) 11.288 ======================= Grid point 711 (217/328) ======================= q-point: ( 0.50 0.41 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.647 ( 7.894 6.494 9.327) 13.838 9.916 ( -14.398 13.646 10.898) 22.633 12.844 ( 0.464 -2.466 2.600) 3.613 25.015 ( 5.835 11.313 12.798) 18.051 25.262 ( -15.185 18.147 14.286) 27.640 30.648 ( 3.892 -11.631 -7.919) 14.599 ======================= Grid point 712 (218/328) ======================= q-point: ( 0.55 0.41 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.711 ( 8.551 5.990 5.849) 11.966 10.423 ( -20.604 18.487 10.050) 29.450 12.786 ( 2.147 -5.420 -2.379) 6.296 25.201 ( 5.638 11.403 8.182) 15.125 25.871 ( -22.509 24.452 11.386) 35.131 30.333 ( 8.324 -16.257 -7.083) 19.589 ======================= Grid point 713 (219/328) ======================= q-point: ( 0.59 0.41 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.722 ( 8.899 4.918 2.687) 10.516 11.025 ( -25.044 21.638 8.685) 34.217 12.617 ( 4.971 -8.796 -5.623) 11.562 25.328 ( 6.048 10.299 3.848) 12.548 26.579 ( -28.067 28.899 7.615) 40.999 29.925 ( 13.202 -20.918 -5.366) 25.311 ======================= Grid point 714 (220/328) ======================= q-point: (-0.36 -0.59 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.681 ( 9.240 3.351 0.000) 9.829 11.654 ( -27.703 23.120 -0.000) 36.084 12.364 ( 8.791 -12.488 -0.000) 15.272 25.381 ( 7.048 8.117 0.000) 10.750 27.318 ( -31.422 31.170 -0.000) 44.260 29.444 ( 18.128 -25.221 -0.000) 31.060 ======================= Grid point 735 (221/328) ======================= q-point: ( 0.50 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.745 ( -0.000 7.126 6.621) 9.727 9.757 ( -0.000 8.316 5.936) 10.217 12.916 ( 0.000 -3.125 2.857) 4.234 25.086 ( -0.000 10.216 8.909) 13.555 25.095 ( -0.000 11.247 8.701) 14.220 30.716 ( 0.000 -8.553 -4.699) 9.758 ======================= Grid point 736 (222/328) ======================= q-point: ( 0.55 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.788 ( 9.044 7.122 3.065) 11.912 10.085 ( -16.572 14.982 3.763) 22.655 12.872 ( 1.946 -5.856 0.363) 6.181 25.211 ( 6.749 11.572 4.301) 14.070 25.482 ( -16.673 19.093 4.872) 25.812 30.523 ( 4.533 -13.214 -2.816) 14.251 ======================= Grid point 737 (223/328) ======================= q-point: (-0.41 -0.55 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.777 ( 9.120 6.184 0.000) 11.019 10.541 ( -22.890 20.291 -0.000) 30.589 12.753 ( 4.329 -8.388 -0.000) 9.439 25.294 ( 6.155 11.463 0.000) 13.011 26.003 ( -23.907 25.518 0.000) 34.967 30.250 ( 9.235 -17.621 -0.000) 19.894 ======================= Grid point 760 (224/328) ======================= q-point: (-0.45 -0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1463 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.821 ( -0.000 7.796 0.000) 7.796 9.825 ( -0.000 8.275 0.000) 8.275 12.946 ( 0.000 -4.232 0.000) 4.232 25.188 ( -0.000 10.530 0.000) 10.530 25.195 ( -0.000 11.330 0.000) 11.330 30.662 ( 0.000 -9.067 0.000) 9.067 ======================= Grid point 1096 (225/328) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.923 ( -0.000 4.381 47.442) 47.644 6.704 ( -0.000 26.008 42.969) 50.227 9.632 ( -0.000 42.142 56.811) 70.735 21.342 ( -0.000 18.559 37.378) 41.732 21.417 ( -0.000 22.100 38.355) 44.266 32.087 ( 0.000 -1.526 -7.672) 7.822 ======================= Grid point 1097 (226/328) ======================= q-point: ( 0.32 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.534 ( -4.979 6.960 42.413) 43.268 7.433 ( 5.441 26.254 37.813) 46.354 10.773 ( -14.336 38.777 46.162) 61.968 22.010 ( -3.395 19.919 36.587) 41.796 22.152 ( -3.043 25.366 38.867) 46.512 31.965 ( -0.335 -2.835 -9.785) 10.193 ======================= Grid point 1098 (227/328) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.152 ( -7.489 8.192 37.456) 39.066 8.048 ( 9.329 25.146 33.500) 42.914 11.876 ( -23.841 34.226 34.793) 54.317 22.690 ( -4.731 19.396 34.040) 39.462 22.934 ( -3.604 26.561 38.532) 46.938 31.804 ( -0.880 -4.376 -12.324) 13.107 ======================= Grid point 1099 (228/328) ======================= q-point: ( 0.41 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.735 ( -7.865 8.122 32.317) 34.238 8.564 ( 11.555 22.765 29.831) 39.264 12.877 ( -29.159 28.926 23.314) 47.228 23.321 ( -4.116 17.200 30.170) 34.971 23.701 ( -1.463 25.534 37.582) 45.459 31.604 ( -1.887 -5.834 -15.051) 16.252 ======================= Grid point 1100 (229/328) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.243 ( -6.333 6.969 26.652) 28.266 8.987 ( 12.867 19.011 26.593) 35.131 13.722 ( -30.942 22.862 11.974) 40.292 23.853 ( -1.877 13.735 25.483) 29.009 24.391 ( 3.159 22.291 36.150) 42.587 31.377 ( -3.785 -6.660 -17.483) 19.088 ======================= Grid point 1101 (230/328) ======================= q-point: ( 0.50 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.637 ( -3.087 5.049 20.375) 21.217 9.308 ( 14.067 13.784 23.593) 30.733 14.366 ( -29.539 15.943 0.982) 33.582 24.252 ( 1.547 9.471 20.430) 22.571 24.946 ( 9.750 16.817 34.005) 39.169 31.153 ( -6.959 -6.153 -18.890) 21.050 ======================= Grid point 1102 (231/328) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.886 ( 1.596 2.649 13.775) 14.118 9.513 ( 15.717 7.265 20.704) 26.990 14.772 ( -25.186 8.222 -9.286) 28.074 24.497 ( 5.738 4.807 15.335) 17.065 25.312 ( 17.435 9.171 30.449) 36.266 30.982 ( -11.277 -3.812 -18.420) 21.931 ======================= Grid point 1103 (232/328) ======================= q-point: (-0.41 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2673 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.971 ( 7.355 0.000 7.355) 10.401 9.584 ( 17.991 0.000 17.991) 25.444 14.911 ( -18.240 0.000 -18.240) 25.795 24.579 ( 10.394 0.000 10.394) 14.699 25.441 ( 24.809 -0.000 24.809) 35.085 30.917 ( -15.632 0.000 -15.632) 22.108 ======================= Grid point 1120 (233/328) ======================= q-point: ( 0.32 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.960 ( -0.000 0.150 42.783) 42.783 7.620 ( -0.000 21.305 37.015) 42.708 10.809 ( -0.000 32.517 45.765) 56.140 22.218 ( -0.000 16.030 38.630) 41.824 22.315 ( -0.000 21.065 39.623) 44.875 31.873 ( 0.000 -2.365 -10.961) 11.213 ======================= Grid point 1121 (234/328) ======================= q-point: ( 0.36 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.467 ( -3.773 2.631 38.732) 39.004 8.239 ( 4.788 22.263 32.613) 39.776 11.698 ( -11.819 29.934 34.470) 47.158 22.850 ( -1.805 16.838 36.365) 40.115 23.046 ( -3.439 24.136 38.849) 45.865 31.698 ( -0.108 -4.070 -13.401) 14.006 ======================= Grid point 1122 (235/328) ======================= q-point: ( 0.41 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.976 ( -5.157 3.905 34.125) 34.732 8.769 ( 8.220 21.446 29.476) 37.368 12.533 ( -20.296 26.389 22.450) 40.153 23.457 ( -1.831 16.076 32.658) 36.446 23.815 ( -4.246 24.867 38.073) 45.673 31.476 ( -0.545 -5.836 -16.248) 17.273 ======================= Grid point 1123 (236/328) ======================= q-point: ( 0.45 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.438 ( -4.205 4.144 28.632) 29.234 9.218 ( 10.162 18.598 27.445) 34.675 13.263 ( -25.383 22.166 10.404) 35.268 23.991 ( -0.266 13.864 28.072) 31.310 24.563 ( -2.211 23.073 37.423) 44.020 31.210 ( -1.769 -7.133 -19.228) 20.584 ======================= Grid point 1124 (237/328) ======================= q-point: ( 0.50 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.808 ( -1.289 3.664 22.317) 22.653 9.586 ( 11.356 13.632 26.058) 31.525 13.845 ( -27.214 17.227 -1.102) 32.227 24.412 ( 2.577 10.543 23.079) 25.504 25.227 ( 2.612 18.487 36.736) 41.209 30.925 ( -4.434 -7.120 -21.791) 23.349 ======================= Grid point 1125 (238/328) ======================= q-point: ( 0.55 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.053 ( 2.939 2.501 15.775) 16.240 9.858 ( 12.769 7.018 24.649) 28.633 14.243 ( -25.904 11.512 -11.458) 30.575 24.694 ( 6.308 6.495 18.035) 20.180 25.740 ( 9.992 10.708 35.132) 38.063 30.672 ( -9.039 -4.781 -22.926) 25.103 ======================= Grid point 1126 (239/328) ======================= q-point: ( 0.59 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.154 ( 7.940 0.564 9.663) 12.519 10.011 ( 14.894 -0.367 22.843) 27.272 14.432 ( -21.643 5.104 -19.939) 29.867 24.825 ( 10.584 2.028 13.168) 17.016 26.019 ( 18.879 -0.130 30.969) 36.270 30.526 ( -14.978 0.233 -21.187) 25.948 ======================= Grid point 1127 (240/328) ======================= q-point: (-0.36 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.104 ( 13.423 -1.991 4.402) 14.266 10.028 ( 17.589 -7.668 20.693) 28.220 14.398 ( -14.820 -1.734 -25.774) 29.782 24.799 ( 15.162 -2.642 8.632) 17.646 26.000 ( 26.808 -11.901 23.489) 37.577 30.548 ( -19.843 6.100 -16.176) 26.317 ======================= Grid point 1128 (241/328) ======================= q-point: (-0.32 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.905 ( 19.123 -4.776 0.274) 19.712 9.908 ( 20.478 -14.201 18.298) 30.917 14.146 ( -6.015 -8.661 -28.292) 30.193 24.617 ( 19.879 -7.334 4.597) 21.682 25.686 ( 31.909 -21.419 14.658) 41.132 30.732 ( -21.562 9.876 -10.071) 25.766 ======================= Grid point 1129 (242/328) ======================= q-point: (-0.27 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.571 ( 24.690 -7.330 -2.459) 25.872 9.657 ( 23.340 -19.471 15.451) 34.097 13.700 ( 4.128 -15.422 -27.036) 31.398 24.286 ( 24.564 -11.804 1.329) 27.285 25.143 ( 34.720 -27.453 7.071) 44.823 31.009 ( -20.507 10.668 -5.269) 23.709 ======================= Grid point 1130 (243/328) ======================= q-point: (-0.23 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.127 ( 29.825 -9.189 -3.554) 31.410 9.284 ( 26.222 -23.230 11.628) 36.911 13.095 ( 15.015 -21.922 -21.778) 34.355 23.823 ( 28.961 -15.703 -0.794) 32.954 24.451 ( 36.476 -30.420 1.920) 47.535 31.304 ( -18.010 9.410 -2.330) 20.453 ======================= Grid point 1131 (244/328) ======================= q-point: (-0.18 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.611 ( 34.423 -9.923 -2.797) 35.934 8.792 ( 29.388 -25.487 6.360) 39.416 12.373 ( 26.085 -28.150 -12.562) 40.381 23.259 ( 32.704 -18.609 -1.350) 37.652 23.680 ( 37.775 -30.849 -0.455) 48.773 31.572 ( -15.062 7.227 -0.770) 16.723 ======================= Grid point 1132 (245/328) ======================= q-point: (-0.14 0.23 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.065 ( 38.581 -9.215 0.000) 39.666 8.173 ( 33.198 -26.425 0.000) 42.431 11.584 ( 36.713 -33.954 0.000) 50.007 22.636 ( 35.368 -20.116 0.000) 40.688 22.893 ( 38.645 -29.043 0.000) 48.342 31.793 ( -12.229 4.892 -0.000) 13.171 ======================= Grid point 1143 (246/328) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.867 ( -0.000 -0.272 36.458) 36.459 8.392 ( -0.000 18.451 30.491) 35.639 11.712 ( -0.000 23.733 33.095) 40.725 23.085 ( -0.000 14.151 36.753) 39.383 23.202 ( -0.000 20.437 37.404) 42.623 31.590 ( 0.000 -4.104 -13.620) 14.225 ======================= Grid point 1144 (247/328) ======================= q-point: ( 0.41 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.290 ( -2.205 1.718 33.080) 33.198 8.921 ( 2.865 19.649 27.065) 33.568 12.341 ( -9.281 21.460 21.779) 31.953 23.653 ( 0.553 14.909 33.489) 36.662 23.906 ( -5.229 23.367 35.896) 43.149 31.360 ( 0.353 -6.364 -16.001) 17.224 ======================= Grid point 1145 (248/328) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.694 ( -1.501 2.930 28.374) 28.564 9.398 ( 4.365 18.331 25.740) 31.900 12.900 ( -16.417 18.610 9.767) 26.669 24.166 ( 1.823 14.283 29.031) 32.406 24.657 ( -7.114 23.782 35.261) 43.122 31.071 ( 0.285 -8.447 -18.829) 20.639 ======================= Grid point 1146 (249/328) ======================= q-point: ( 0.50 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.025 ( 1.380 3.582 22.445) 22.771 9.827 ( 5.228 14.130 25.997) 30.047 13.355 ( -21.119 15.456 -2.100) 26.255 24.590 ( 4.077 12.250 24.084) 27.326 25.398 ( -5.737 21.359 35.384) 41.727 30.736 ( -0.901 -9.552 -21.937) 23.943 ======================= Grid point 1147 (250/328) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.250 ( 5.133 3.402 16.274) 17.400 10.185 ( 6.861 7.684 26.452) 28.387 13.682 ( -23.190 11.987 -12.816) 29.081 24.896 ( 7.198 9.119 19.052) 22.315 26.059 ( -0.750 15.215 35.818) 38.923 30.390 ( -4.295 -8.297 -24.820) 26.521 ======================= Grid point 1148 (251/328) ======================= q-point: ( 0.59 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.354 ( 9.140 2.091 10.650) 14.189 10.438 ( 9.716 0.092 26.016) 27.771 13.863 ( -22.441 8.084 -21.184) 31.902 25.065 ( 10.901 5.216 14.201) 18.647 26.541 ( 8.392 3.996 34.674) 35.899 30.114 ( -10.970 -2.787 -25.760) 28.137 ======================= Grid point 1149 (252/328) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.331 ( 13.407 -0.215 5.904) 14.651 10.552 ( 13.250 -7.620 24.145) 28.577 13.896 ( -18.787 3.610 -25.945) 32.236 25.089 ( 14.922 0.817 9.710) 17.822 26.705 ( 19.803 -11.409 28.410) 36.462 30.031 ( -19.282 6.571 -21.534) 29.643 ======================= Grid point 1150 (253/328) ======================= q-point: (-0.32 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.179 ( 17.940 -3.099 2.242) 18.344 10.509 ( 16.741 -14.525 20.504) 30.193 13.787 ( -12.410 -1.556 -26.088) 28.931 24.966 ( 19.063 -3.837 5.754) 20.279 26.481 ( 28.096 -24.463 17.776) 41.278 30.205 ( -23.865 13.677 -13.110) 30.471 ======================= Grid point 1151 (254/328) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.906 ( 22.547 -6.047 -0.111) 23.345 10.306 ( 19.828 -19.881 14.924) 31.798 13.555 ( -3.846 -7.486 -21.239) 22.846 24.700 ( 23.152 -8.474 2.576) 24.789 25.956 ( 32.223 -31.430 8.424) 45.794 30.543 ( -23.661 15.259 -6.020) 28.790 ======================= Grid point 1152 (255/328) ======================= q-point: (-0.23 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.531 ( 26.945 -8.510 -0.924) 28.272 9.944 ( 22.665 -23.333 7.714) 33.431 13.227 ( 6.060 -14.133 -11.999) 19.505 24.308 ( 26.981 -12.754 0.524) 29.848 25.256 ( 34.574 -33.918 2.553) 48.501 30.924 ( -21.210 13.472 -1.948) 25.202 ======================= Grid point 1153 (256/328) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.086 ( 30.925 -9.951 0.000) 32.486 9.434 ( 25.725 -25.032 0.000) 35.894 12.827 ( 16.322 -21.208 -0.000) 26.762 23.815 ( 30.270 -16.271 0.000) 34.366 24.474 ( 36.375 -33.488 0.000) 49.443 31.277 ( -18.118 10.431 -0.000) 20.906 ======================= Grid point 1166 (257/328) ======================= q-point: ( 0.41 0.32 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.624 ( -0.000 1.409 29.735) 29.768 9.015 ( -0.000 16.760 24.010) 29.281 12.323 ( -0.000 15.413 20.506) 25.652 23.880 ( -0.000 13.345 32.468) 35.104 24.005 ( -0.000 20.277 32.449) 38.263 31.261 ( 0.000 -6.723 -14.863) 16.313 ======================= Grid point 1167 (258/328) ======================= q-point: ( 0.45 0.32 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.973 ( 0.907 3.176 26.492) 26.697 9.479 ( -1.284 17.816 21.846) 28.219 12.700 ( -6.607 13.031 9.906) 17.652 24.365 ( 3.887 14.490 28.487) 32.196 24.671 ( -8.714 23.134 30.748) 39.453 30.981 ( 1.114 -9.697 -16.795) 19.426 ======================= Grid point 1168 (259/328) ======================= q-point: ( 0.50 0.32 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.263 ( 4.370 4.627 21.222) 22.156 9.953 ( -3.045 15.585 22.865) 27.839 12.992 ( -12.002 10.600 -1.348) 16.069 24.771 ( 6.008 14.055 23.567) 28.090 25.413 ( -12.125 23.683 30.531) 40.497 30.631 ( 1.865 -12.285 -19.313) 22.965 ======================= Grid point 1169 (260/328) ======================= q-point: ( 0.55 0.32 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.459 ( 7.862 5.126 15.510) 18.128 10.412 ( -2.346 10.385 25.267) 27.418 13.184 ( -16.194 8.650 -12.384) 22.146 25.080 ( 8.443 12.102 18.514) 23.675 26.167 ( -11.819 21.185 31.579) 39.822 30.223 ( 1.361 -13.418 -22.567) 26.290 ======================= Grid point 1170 (261/328) ======================= q-point: ( 0.59 0.32 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.554 ( 10.866 4.284 10.378) 15.624 10.799 ( 1.478 2.821 27.242) 27.428 13.281 ( -19.112 7.471 -21.607) 29.798 25.272 ( 11.374 8.988 13.629) 19.897 26.856 ( -6.539 13.510 33.634) 36.831 29.801 ( -2.444 -10.610 -26.464) 28.616 ======================= Grid point 1171 (262/328) ======================= q-point: (-0.36 0.32 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.545 ( 13.801 2.282 6.083) 15.254 11.043 ( 7.256 -6.186 26.589) 28.247 13.310 ( -20.129 6.746 -26.203) 33.724 25.334 ( 14.621 5.029 9.120) 17.951 27.315 ( 7.042 -3.917 32.805) 33.780 29.503 ( -13.253 1.232 -27.390) 30.453 ======================= Grid point 1173 (263/328) ======================= q-point: (-0.32 0.32 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.429 ( 16.958 -0.502 2.781) 17.192 11.083 ( 12.806 -14.565 20.800) 28.439 13.310 ( -17.884 5.004 -23.121) 29.656 25.261 ( 17.984 0.526 5.174) 18.721 27.277 ( 22.738 -25.139 20.175) 39.446 29.579 ( -25.086 16.719 -16.638) 34.433 ======================= Grid point 1174 (264/328) ======================= q-point: (-0.27 0.32 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.211 ( 20.331 -3.598 0.680) 20.658 10.893 ( 16.692 -20.107 10.545) 28.180 13.307 ( -11.763 0.599 -12.901) 17.469 25.056 ( 21.288 -4.199 2.026) 21.793 26.773 ( 29.250 -33.913 6.889) 45.311 29.985 ( -26.825 20.214 -5.293) 34.003 ======================= Grid point 1175 (265/328) ======================= q-point: (-0.23 0.32 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.904 ( 23.732 -6.464 0.000) 24.596 10.497 ( 19.593 -22.628 -0.000) 29.932 13.289 ( -3.182 -6.250 -0.000) 7.013 24.730 ( 24.355 -8.770 0.000) 25.886 26.054 ( 32.228 -35.431 -0.000) 47.895 30.472 ( -24.409 17.534 -0.000) 30.054 ======================= Grid point 1190 (266/328) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.227 ( -0.000 4.315 23.048) 23.448 9.492 ( -0.000 15.786 17.747) 23.752 12.664 ( -0.000 7.381 9.754) 12.232 24.556 ( -0.000 13.776 26.372) 29.754 24.671 ( -0.000 20.492 25.596) 32.788 30.926 ( 0.000 -10.027 -14.130) 17.327 ======================= Grid point 1191 (267/328) ======================= q-point: ( 0.50 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.496 ( 6.588 6.371 19.114) 21.197 9.926 ( -8.638 16.549 17.278) 25.437 12.815 ( -3.694 4.519 0.809) 5.893 24.942 ( 7.937 15.416 21.737) 27.805 25.300 ( -13.599 23.527 23.971) 36.236 30.610 ( 2.216 -13.827 -15.226) 20.687 ======================= Grid point 1192 (268/328) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.662 ( 10.678 7.384 13.729) 18.895 10.444 ( -12.577 14.683 19.955) 27.784 12.867 ( -6.645 2.069 -8.752) 11.182 25.233 ( 10.032 14.870 16.621) 24.454 26.038 ( -18.549 25.040 23.732) 39.170 30.210 ( 4.448 -17.246 -16.941) 24.580 ======================= Grid point 1193 (269/328) ======================= q-point: ( 0.59 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.738 ( 12.878 6.812 8.992) 17.120 10.979 ( -11.127 9.857 24.103) 28.318 12.820 ( -9.773 1.228 -18.631) 21.075 25.427 ( 12.057 12.727 11.678) 21.065 26.821 ( -20.124 23.812 24.915) 39.910 29.729 ( 6.002 -19.328 -19.792) 28.308 ======================= Grid point 1194 (270/328) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.729 ( 14.546 5.059 5.040) 16.204 11.432 ( -3.227 -0.166 28.121) 28.306 12.722 ( -15.365 4.398 -26.657) 31.081 25.511 ( 14.327 9.388 7.121) 18.550 27.581 ( -15.938 16.459 28.993) 36.953 29.198 ( 3.802 -16.402 -25.465) 30.528 ======================= Grid point 1195 (271/328) ======================= q-point: (-0.32 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.636 ( 16.250 2.474 1.978) 16.556 11.602 ( 9.155 -14.197 19.083) 25.485 12.745 ( -22.209 10.770 -19.462) 31.433 25.476 ( 16.725 5.194 3.149) 17.794 28.012 ( 12.698 -19.090 25.983) 34.652 28.889 ( -21.167 14.177 -24.168) 35.116 ======================= Grid point 1196 (272/328) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.461 ( 18.187 -0.569 0.000) 18.196 11.365 ( 14.161 -19.532 -0.000) 24.125 12.998 ( -19.142 8.076 -0.000) 20.776 25.321 ( 19.096 0.519 0.000) 19.103 27.532 ( 26.214 -34.563 -0.000) 43.379 29.365 ( -29.675 24.826 -0.000) 38.690 ======================= Grid point 1213 (273/328) ======================= q-point: ( 0.50 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.677 ( -0.000 7.890 16.209) 18.027 9.828 ( -0.000 15.249 11.701) 19.221 12.796 ( -0.000 -0.112 2.479) 2.481 25.075 ( -0.000 15.189 18.785) 24.157 25.167 ( -0.000 20.885 17.573) 27.294 30.632 ( 0.000 -13.542 -11.208) 17.578 ======================= Grid point 1214 (274/328) ======================= q-point: ( 0.55 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.842 ( 12.903 9.832 11.191) 19.708 10.268 ( -17.178 16.657 12.392) 26.946 12.773 ( -0.607 -3.640 -3.581) 5.142 25.348 ( 11.674 16.901 13.611) 24.641 25.755 ( -18.591 24.580 15.614) 34.548 30.305 ( 3.534 -18.068 -10.942) 21.417 ======================= Grid point 1215 (275/328) ======================= q-point: ( 0.59 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.894 ( 14.805 9.379 6.672) 18.753 10.842 ( -22.028 17.487 13.890) 31.368 12.642 ( 0.011 -6.927 -9.445) 11.713 25.523 ( 12.950 15.869 8.596) 22.213 26.474 ( -24.752 27.680 13.735) 39.592 29.887 ( 7.673 -22.437 -10.569) 25.962 ======================= Grid point 1216 (276/328) ======================= q-point: ( 0.64 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.874 ( 15.436 7.742 2.944) 17.518 11.473 ( -23.607 16.370 16.418) 33.089 12.399 ( 1.512 -9.463 -15.054) 17.845 25.608 ( 14.115 13.309 3.994) 19.807 27.251 ( -28.893 29.233 10.900) 42.523 29.376 ( 12.552 -26.604 -9.243) 30.835 ======================= Grid point 1217 (277/328) ======================= q-point: (-0.32 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.786 ( 15.798 5.345 0.000) 16.677 12.038 ( 9.151 -16.014 -0.000) 18.444 12.131 ( -28.079 18.162 -0.000) 33.441 25.593 ( 15.398 9.616 0.000) 18.154 28.021 ( -31.749 29.918 -0.000) 43.624 28.798 ( 18.415 -30.894 -0.000) 35.966 ======================= Grid point 1236 (278/328) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.963 ( 0.000 11.218 8.603) 14.137 10.028 ( -0.000 14.984 5.811) 16.071 12.811 ( -0.000 -5.993 -0.436) 6.009 25.405 ( 0.000 16.797 9.857) 19.476 25.470 ( -0.000 21.235 8.919) 23.032 30.429 ( -0.000 -16.407 -6.260) 17.561 ======================= Grid point 1237 (279/328) ======================= q-point: ( 0.59 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.010 ( 16.187 11.706 3.621) 20.302 10.471 ( -22.436 18.187 4.811) 29.279 12.696 ( 1.818 -9.447 -2.220) 9.873 25.558 ( 13.860 17.944 4.630) 23.142 26.000 ( -21.799 25.680 5.506) 34.131 30.130 ( 4.547 -20.990 -4.048) 21.855 ======================= Grid point 1238 (280/328) ======================= q-point: (-0.36 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.970 ( 16.142 10.045 0.000) 19.012 11.016 ( -27.352 20.708 -0.000) 34.307 12.516 ( 4.454 -12.260 -0.000) 13.044 25.621 ( 14.013 16.298 0.000) 21.494 26.636 ( -27.592 29.299 0.000) 40.246 29.760 ( 9.401 -24.978 -0.000) 26.688 ======================= Grid point 1261 (281/328) ======================= q-point: (-0.41 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1463 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.062 ( -0.000 12.668 0.000) 12.668 10.094 ( -0.000 14.904 0.000) 14.904 12.802 ( 0.000 -8.339 0.000) 8.339 25.518 ( -0.000 17.518 0.000) 17.518 25.572 ( -0.000 21.372 0.000) 21.372 30.356 ( 0.000 -17.543 0.000) 17.543 ======================= Grid point 1643 (282/328) ======================= q-point: ( 0.41 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.916 ( -0.000 4.771 35.492) 35.811 8.876 ( -0.000 23.323 28.129) 36.541 12.286 ( -0.000 25.318 24.499) 35.231 23.439 ( -0.000 16.331 34.540) 38.206 23.763 ( -0.000 28.240 36.940) 46.498 31.469 ( 0.000 -6.647 -15.945) 17.275 ======================= Grid point 1644 (283/328) ======================= q-point: ( 0.45 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.371 ( -1.537 5.352 31.684) 32.170 9.412 ( 5.314 22.819 24.845) 34.150 12.827 ( -10.797 20.157 13.547) 26.578 23.995 ( 0.310 14.570 31.406) 34.623 24.520 ( -1.179 29.970 35.274) 46.301 31.182 ( -0.630 -9.314 -18.825) 21.012 ======================= Grid point 1645 (284/328) ======================= q-point: ( 0.50 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.782 ( -0.883 4.710 27.093) 27.513 9.844 ( 9.879 20.207 22.712) 31.965 13.293 ( -19.171 14.965 2.375) 24.436 24.470 ( 2.202 11.803 27.349) 29.868 25.261 ( 0.549 28.806 34.036) 44.593 30.846 ( -2.378 -11.383 -21.775) 24.686 ======================= Grid point 1646 (285/328) ======================= q-point: ( 0.55 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.105 ( 1.661 3.374 21.762) 22.085 10.165 ( 13.394 15.226 21.281) 29.396 13.652 ( -24.202 9.898 -8.086) 27.370 24.831 ( 5.272 8.264 22.811) 24.828 25.918 ( 5.557 24.085 32.863) 41.122 30.495 ( -6.171 -11.602 -24.177) 27.518 ======================= Grid point 1647 (286/328) ======================= q-point: ( 0.59 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.311 ( 5.626 1.741 16.080) 17.124 10.368 ( 16.111 8.196 19.948) 26.920 13.880 ( -25.442 4.930 -16.819) 30.894 25.055 ( 9.143 4.242 18.121) 20.736 26.399 ( 13.964 14.525 30.273) 36.365 30.202 ( -12.736 -8.039 -24.502) 28.761 ======================= Grid point 1648 (287/328) ======================= q-point: (-0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2673 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.381 ( 10.558 0.000 10.558) 14.932 10.437 ( 18.273 0.000 18.273) 25.842 13.958 ( -22.854 0.000 -22.854) 32.320 25.130 ( 13.503 0.000 13.503) 19.096 26.582 ( 23.734 0.000 23.734) 33.565 30.082 ( -20.381 0.000 -20.381) 28.823 ======================= Grid point 1667 (288/328) ======================= q-point: ( 0.45 0.32 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.676 ( -0.000 3.210 30.869) 31.035 9.456 ( -0.000 21.369 22.590) 31.095 12.702 ( -0.000 16.860 12.036) 20.715 24.201 ( -0.000 14.008 31.761) 34.713 24.561 ( -0.000 27.982 32.477) 42.869 31.075 ( 0.000 -9.583 -18.211) 20.578 ======================= Grid point 1668 (289/328) ======================= q-point: ( 0.50 0.32 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.050 ( 0.617 3.488 27.544) 27.771 9.926 ( 2.719 20.850 20.138) 29.115 12.997 ( -8.763 12.202 1.540) 15.101 24.682 ( 2.950 12.530 28.408) 31.188 25.276 ( -3.755 29.447 30.529) 42.583 30.725 ( -0.169 -12.642 -20.772) 24.317 ======================= Grid point 1669 (290/328) ======================= q-point: ( 0.55 0.32 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.355 ( 3.619 3.249 22.810) 23.323 10.328 ( 5.188 17.047 19.891) 26.705 13.214 ( -16.105 8.172 -8.927) 20.146 25.061 ( 6.466 10.407 23.976) 26.925 25.996 ( -3.867 27.236 30.044) 40.736 30.323 ( -1.685 -14.540 -23.595) 27.766 ======================= Grid point 1670 (291/328) ======================= q-point: ( 0.59 0.32 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.554 ( 7.862 2.798 17.203) 19.120 10.642 ( 8.025 9.864 20.756) 24.341 13.348 ( -21.154 5.136 -18.025) 28.263 25.314 ( 10.344 7.486 19.147) 23.014 26.640 ( 0.719 20.076 30.215) 36.283 29.916 ( -6.154 -13.072 -26.176) 29.899 ======================= Grid point 1671 (292/328) ======================= q-point: ( 0.64 0.32 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.630 ( 12.429 1.918 11.630) 17.129 10.831 ( 11.299 0.471 20.828) 23.700 13.406 ( -22.968 2.963 -23.856) 33.248 25.430 ( 14.462 3.939 14.293) 20.711 27.065 ( 11.285 4.607 27.883) 30.431 29.626 ( -15.408 -4.135 -25.611) 30.173 ======================= Grid point 1672 (293/328) ======================= q-point: (-0.32 0.32 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.580 ( 16.976 0.446 6.728) 18.266 10.862 ( 14.250 -9.133 18.485) 25.063 13.400 ( -20.761 0.835 -24.598) 32.199 25.400 ( 18.634 0.004 9.659) 20.988 27.066 ( 22.758 -16.224 18.005) 33.246 29.645 ( -24.603 10.014 -17.086) 31.583 ======================= Grid point 1673 (294/328) ======================= q-point: (-0.27 0.32 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.409 ( 21.354 -1.501 2.902) 21.603 10.719 ( 16.422 -16.839 13.397) 27.068 13.339 ( -14.637 -2.390 -19.793) 24.733 25.226 ( 22.658 -4.078 5.494) 23.669 26.644 ( 27.771 -28.895 7.281) 40.732 29.967 ( -26.369 16.540 -7.364) 31.986 ======================= Grid point 1674 (295/328) ======================= q-point: (-0.23 0.32 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.130 ( 25.357 -3.542 0.535) 25.609 10.414 ( 18.382 -21.456 6.691) 29.035 13.227 ( -5.867 -7.282 -10.846) 14.321 24.919 ( 26.308 -8.061 2.127) 27.597 25.998 ( 30.045 -33.280 1.619) 44.865 30.399 ( -24.393 16.041 -2.145) 29.274 ======================= Grid point 1675 (296/328) ======================= q-point: (-0.18 0.32 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.771 ( 28.805 -5.061 0.000) 29.246 9.970 ( 21.051 -23.138 -0.000) 31.282 13.057 ( 3.916 -13.487 -0.000) 14.044 24.498 ( 29.305 -11.677 0.000) 31.545 25.265 ( 32.415 -33.138 -0.000) 46.356 30.819 ( -21.620 12.983 -0.000) 25.219 ======================= Grid point 1690 (297/328) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.324 ( -0.000 3.899 25.758) 26.051 9.908 ( -0.000 20.177 16.922) 26.333 12.849 ( -0.000 8.291 1.302) 8.393 24.879 ( -0.000 13.601 27.270) 30.474 25.232 ( -0.000 28.165 25.946) 38.295 30.654 ( 0.000 -13.648 -18.239) 22.780 ======================= Grid point 1691 (298/328) ======================= q-point: ( 0.55 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.623 ( 5.034 4.396 22.417) 23.392 10.337 ( -2.966 19.141 15.942) 25.087 12.918 ( -6.257 4.012 -7.821) 10.789 25.279 ( 7.172 12.969 23.427) 27.721 25.904 ( -8.873 29.157 24.226) 38.933 30.252 ( 0.849 -17.231 -20.084) 26.476 ======================= Grid point 1692 (299/328) ======================= q-point: ( 0.59 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.812 ( 10.752 5.079 16.802) 20.584 10.767 ( -3.744 13.584 18.820) 23.510 12.910 ( -12.160 1.339 -16.942) 20.897 25.549 ( 11.950 11.592 18.303) 24.742 26.627 ( -11.684 26.273 24.919) 38.049 29.788 ( 0.571 -19.216 -22.629) 29.693 ======================= Grid point 1693 (300/328) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.879 ( 15.116 4.935 11.028) 19.351 11.132 ( 0.259 3.791 22.415) 22.735 12.857 ( -17.978 1.648 -24.264) 30.243 25.687 ( 15.799 8.952 13.047) 22.361 27.300 ( -7.478 16.857 27.433) 33.055 29.312 ( -3.742 -15.651 -26.267) 30.805 ======================= Grid point 1694 (301/328) ======================= q-point: (-0.32 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.834 ( 18.396 3.620 6.082) 19.710 11.316 ( 7.346 -8.901 20.833) 23.816 12.838 ( -22.283 4.748 -24.217) 33.249 25.689 ( 19.229 5.332 8.035) 21.512 27.668 ( 10.151 -10.564 24.380) 28.444 29.051 ( -19.447 5.642 -23.919) 31.339 ======================= Grid point 1695 (302/328) ======================= q-point: (-0.27 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.684 ( 21.076 1.384 2.307) 21.247 11.224 ( 12.247 -18.282 10.637) 24.442 12.930 ( -20.639 5.049 -13.322) 25.079 25.555 ( 22.217 1.051 3.560) 22.524 27.369 ( 22.560 -32.312 7.438) 40.104 29.350 ( -28.233 21.761 -7.388) 36.404 ======================= Grid point 1696 (303/328) ======================= q-point: (-0.23 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.442 ( 23.372 -1.245 0.000) 23.405 10.893 ( 15.025 -21.491 -0.000) 26.222 13.088 ( -13.973 0.036 -0.000) 13.973 25.291 ( 24.615 -3.557 0.000) 24.871 26.728 ( 26.324 -35.312 -0.000) 44.045 29.881 ( -26.891 20.435 -0.000) 33.774 ======================= Grid point 1713 (304/328) ======================= q-point: ( 0.55 0.41 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.850 ( 0.000 6.640 20.043) 21.114 10.230 ( -0.000 19.483 11.253) 22.500 12.791 ( -0.000 -0.432 -5.498) 5.515 25.433 ( 0.000 15.085 20.790) 25.687 25.737 ( -0.000 28.568 18.002) 33.767 30.263 ( -0.000 -18.472 -15.388) 24.042 ======================= Grid point 1714 (305/328) ======================= q-point: ( 0.59 0.41 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.057 ( 13.017 8.149 15.047) 21.500 10.663 ( -13.524 17.757 12.672) 25.667 12.679 ( -2.822 -4.616 -11.921) 13.091 25.733 ( 12.737 15.452 15.809) 25.513 26.373 ( -16.267 29.263 16.511) 37.330 29.835 ( 2.606 -22.718 -15.681) 27.727 ======================= Grid point 1715 (306/328) ======================= q-point: ( 0.64 0.41 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.107 ( 18.077 8.541 8.793) 21.841 11.194 ( -16.396 12.718 17.997) 27.468 12.483 ( -5.508 -6.552 -18.929) 20.774 25.877 ( 17.068 13.991 10.036) 24.244 27.114 ( -21.895 27.823 16.766) 39.174 29.327 ( 5.409 -25.841 -16.405) 31.083 ======================= Grid point 1716 (307/328) ======================= q-point: (-0.32 0.41 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.050 ( 19.959 7.100 3.766) 21.516 11.675 ( -6.110 -1.448 24.983) 25.760 12.271 ( -15.106 0.897 -26.246) 30.295 25.893 ( 19.543 10.708 4.667) 22.767 27.869 ( -21.761 22.077 20.065) 36.926 28.755 ( 6.473 -24.836 -19.938) 32.500 ======================= Grid point 1718 (308/328) ======================= q-point: (-0.27 0.41 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.904 ( 20.730 4.501 0.000) 21.213 11.637 ( 9.610 -18.884 -0.000) 21.189 12.475 ( -25.984 11.856 -0.000) 28.561 25.783 ( 21.214 6.212 0.000) 22.104 28.047 ( 18.597 -34.412 -0.000) 39.116 28.675 ( -30.079 27.240 -0.000) 40.581 ======================= Grid point 1737 (309/328) ======================= q-point: ( 0.59 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.223 ( 0.000 10.785 12.008) 16.141 10.423 ( -0.000 19.125 5.615) 19.933 12.645 ( -0.000 -8.424 -6.058) 10.376 25.809 ( 0.000 17.513 11.641) 21.029 26.049 ( -0.000 28.940 9.201) 30.367 29.976 ( -0.000 -22.937 -9.130) 24.687 ======================= Grid point 1738 (310/328) ======================= q-point: ( 0.64 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.290 ( 20.166 12.001 5.120) 24.019 10.895 ( -24.415 18.522 6.290) 31.285 12.444 ( 1.363 -12.494 -6.648) 14.218 25.982 ( 17.078 17.892 5.613) 25.363 26.639 ( -22.550 29.970 6.200) 38.015 29.574 ( 4.458 -27.278 -6.250) 28.337 ======================= Grid point 1739 (311/328) ======================= q-point: (-0.32 -0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.208 ( 21.003 10.165 0.000) 23.334 11.467 ( -29.012 18.440 -0.000) 34.376 12.195 ( 4.629 -15.709 -0.000) 16.377 25.994 ( 19.199 15.202 0.000) 24.489 27.324 ( -28.297 30.583 0.000) 41.666 29.120 ( 9.557 -30.702 -0.000) 32.155 ======================= Grid point 1762 (312/328) ======================= q-point: (-0.36 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1463 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.367 ( -0.000 13.207 0.000) 13.207 10.487 ( -0.000 19.015 0.000) 19.015 12.567 ( 0.000 -12.185 0.000) 12.185 25.945 ( -0.000 18.786 0.000) 18.786 26.154 ( -0.000 29.088 0.000) 29.088 29.868 ( 0.000 -24.891 0.000) 24.891 ======================= Grid point 2192 (313/328) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.399 ( 0.000 2.581 26.067) 26.195 10.394 ( -0.000 21.909 15.975) 27.115 13.017 ( -0.000 5.798 -7.015) 9.101 25.145 ( 0.000 9.241 27.121) 28.652 25.939 ( -0.000 33.194 26.223) 42.303 30.305 ( -0.000 -16.812 -22.858) 28.375 ======================= Grid point 2193 (314/328) ======================= q-point: ( 0.59 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.688 ( 3.276 1.228 23.334) 23.595 10.785 ( 3.771 19.734 14.173) 24.587 12.977 ( -9.407 0.670 -15.399) 18.057 25.501 ( 4.876 6.046 24.248) 25.461 26.617 ( -1.479 32.668 23.813) 40.453 29.828 ( -1.777 -19.813 -25.046) 31.984 ======================= Grid point 2194 (315/328) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.875 ( 8.287 0.346 19.125) 20.846 11.066 ( 8.759 12.388 14.243) 20.810 12.912 ( -18.354 -1.470 -22.086) 28.755 25.721 ( 10.139 3.025 20.123) 22.735 27.221 ( 2.937 24.824 22.762) 33.807 29.356 ( -7.889 -17.838 -26.728) 33.088 ======================= Grid point 2195 (316/328) ======================= q-point: (-0.32 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2673 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.939 ( 13.871 0.000 13.871) 19.617 11.172 ( 13.123 0.000 13.124) 18.559 12.878 ( -23.693 0.000 -23.693) 33.508 25.796 ( 15.303 0.000 15.303) 21.642 27.513 ( 16.209 0.000 16.209) 22.923 29.110 ( -21.366 -0.000 -21.366) 30.215 ======================= Grid point 2216 (317/328) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.961 ( 0.000 2.818 22.923) 23.096 10.699 ( -0.000 21.154 10.712) 23.712 12.766 ( -0.000 -2.135 -14.087) 14.248 25.722 ( 0.000 9.522 22.866) 24.769 26.452 ( -0.000 33.469 18.381) 38.184 29.799 ( -0.000 -21.931 -20.787) 30.216 ======================= Grid point 2217 (318/328) ======================= q-point: ( 0.64 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.185 ( 9.289 2.608 19.492) 21.749 11.071 ( -3.793 17.668 11.166) 21.242 12.558 ( -6.987 -6.048 -20.148) 22.167 26.004 ( 9.580 7.442 18.990) 22.534 27.080 ( -8.158 32.087 16.592) 37.033 29.283 ( 0.022 -25.099 -21.696) 33.176 ======================= Grid point 2218 (319/328) ======================= q-point: ( 0.68 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.252 ( 17.062 3.512 12.771) 21.600 11.400 ( -0.370 4.836 15.889) 16.613 12.367 ( -16.671 -2.973 -24.623) 29.884 26.112 ( 16.448 5.604 13.020) 21.713 27.696 ( -6.460 20.000 19.142) 28.428 28.768 ( -5.173 -19.681 -24.036) 31.493 ======================= Grid point 2219 (320/328) ======================= q-point: (-0.27 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.174 ( 21.524 3.317 5.716) 22.516 11.452 ( 7.728 -14.897 9.671) 19.370 12.400 ( -24.616 7.557 -14.881) 29.741 26.056 ( 20.992 2.821 6.405) 22.128 27.793 ( 14.309 -27.519 7.381) 31.883 28.725 ( -25.541 21.399 -10.387) 34.902 ======================= Grid point 2220 (321/328) ======================= q-point: (-0.23 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.975 ( 23.285 1.451 0.000) 23.330 11.182 ( 10.145 -20.758 -0.000) 23.104 12.677 ( -21.268 6.047 -0.000) 22.111 25.846 ( 23.547 -1.156 0.000) 23.575 27.244 ( 18.595 -35.376 -0.000) 39.965 29.267 ( -26.189 24.557 -0.000) 35.902 ======================= Grid point 2239 (322/328) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.424 ( 0.000 6.244 16.549) 17.688 10.883 ( -0.000 20.748 5.370) 21.431 12.429 ( -0.000 -10.448 -13.615) 17.162 26.159 ( 0.000 12.184 14.360) 18.833 26.771 ( -0.000 33.747 9.457) 35.047 29.394 ( -0.000 -27.632 -13.543) 30.772 ======================= Grid point 2240 (323/328) ======================= q-point: ( 0.68 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 5324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.523 ( 19.101 7.615 8.467) 22.238 11.305 ( -19.469 17.026 8.272) 27.154 12.134 ( -0.684 -14.242 -13.790) 19.837 26.322 ( 15.015 10.889 7.701) 20.083 27.359 ( -17.555 32.638 6.989) 37.713 28.898 ( 3.836 -31.389 -10.044) 33.179 ======================= Grid point 2241 (324/328) ======================= q-point: (-0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2796 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.407 ( 22.745 6.658 0.000) 23.700 11.803 ( 4.851 -18.514 -0.000) 19.139 11.852 ( -27.133 15.228 -0.000) 31.114 26.269 ( 20.117 7.974 0.000) 21.640 28.028 ( -25.111 30.894 0.000) 39.812 28.372 ( 9.644 -34.348 -0.000) 35.677 ======================= Grid point 2262 (325/328) ======================= q-point: (-0.32 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1463 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.635 ( -0.000 9.720 0.000) 9.720 10.944 ( -0.000 20.620 0.000) 20.620 12.248 ( 0.000 -15.610 0.000) 15.610 26.332 ( -0.000 14.154 0.000) 14.154 26.880 ( -0.000 33.860 0.000) 33.860 29.230 ( 0.000 -30.636 0.000) 30.636 ======================= Grid point 2739 (326/328) ======================= q-point: ( 0.68 0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2783 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.492 ( 0.000 -0.470 20.866) 20.872 11.356 ( -0.000 20.350 5.106) 20.981 12.168 ( -0.000 -12.503 -21.493) 24.865 26.333 ( 0.000 2.568 17.675) 17.860 27.569 ( -0.000 35.488 9.615) 36.767 28.729 ( -0.000 -30.199 -19.329) 35.856 ======================= Grid point 2740 (327/328) ======================= q-point: (-0.27 0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 2673 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.613 ( 13.894 0.000 13.894) 19.649 11.587 ( 4.718 0.000 4.718) 6.672 11.883 ( -17.664 -0.000 -17.664) 24.981 26.450 ( 11.010 0.000 11.010) 15.570 28.020 ( 5.665 0.000 5.665) 8.012 28.252 ( -13.447 -0.000 -13.447) 19.016 ======================= Grid point 2763 (328/328) ======================= q-point: (-0.27 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 Number of triplets: 1463 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.791 ( -0.000 3.549 0.000) 3.549 11.415 ( -0.000 20.219 0.000) 20.219 11.858 ( 0.000 -18.395 0.000) 18.395 26.559 ( -0.000 5.236 0.000) 5.236 27.679 ( -0.000 35.539 0.000) 35.539 28.483 ( 0.000 -34.332 0.000) 34.332 =================== 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 3/63888 10.0 300.436 300.436 300.436 0.000 0.000 -0.000 3/63888 20.0 1414.131 1414.131 1414.131 0.000 -0.000 -0.000 3/63888 30.0 1062.465 1062.465 1062.465 0.000 -0.000 -0.000 3/63888 40.0 736.620 736.620 736.620 0.000 -0.000 -0.000 3/63888 50.0 516.870 516.870 516.870 0.000 -0.000 -0.000 3/63888 60.0 359.002 359.002 359.002 0.000 -0.000 -0.000 3/63888 70.0 251.207 251.207 251.207 0.000 -0.000 -0.000 3/63888 80.0 182.058 182.058 182.058 0.000 -0.000 -0.000 3/63888 90.0 138.446 138.446 138.446 0.000 -0.000 -0.000 3/63888 100.0 110.460 110.460 110.460 0.000 -0.000 -0.000 3/63888 110.0 91.872 91.872 91.872 0.000 -0.000 -0.000 3/63888 120.0 79.005 79.005 79.005 0.000 -0.000 -0.000 3/63888 130.0 69.703 69.703 69.703 0.000 -0.000 -0.000 3/63888 140.0 62.687 62.687 62.687 0.000 -0.000 -0.000 3/63888 150.0 57.184 57.184 57.184 0.000 -0.000 -0.000 3/63888 160.0 52.717 52.717 52.717 0.000 -0.000 -0.000 3/63888 170.0 48.983 48.983 48.983 0.000 -0.000 -0.000 3/63888 180.0 45.790 45.790 45.790 0.000 -0.000 -0.000 3/63888 190.0 43.009 43.009 43.009 0.000 -0.000 -0.000 3/63888 200.0 40.552 40.552 40.552 0.000 -0.000 -0.000 3/63888 210.0 38.359 38.359 38.359 0.000 -0.000 -0.000 3/63888 220.0 36.386 36.386 36.386 0.000 -0.000 -0.000 3/63888 230.0 34.600 34.600 34.600 0.000 -0.000 -0.000 3/63888 240.0 32.974 32.974 32.974 0.000 -0.000 -0.000 3/63888 250.0 31.489 31.489 31.489 0.000 -0.000 -0.000 3/63888 260.0 30.129 30.129 30.129 0.000 -0.000 -0.000 3/63888 270.0 28.878 28.878 28.878 0.000 -0.000 -0.000 3/63888 280.0 27.725 27.725 27.725 0.000 -0.000 -0.000 3/63888 290.0 26.660 26.660 26.660 0.000 -0.000 -0.000 3/63888 300.0 25.673 25.673 25.673 0.000 -0.000 -0.000 3/63888 310.0 24.757 24.757 24.757 0.000 -0.000 -0.000 3/63888 320.0 23.905 23.905 23.905 0.000 -0.000 -0.000 3/63888 330.0 23.111 23.111 23.111 0.000 -0.000 -0.000 3/63888 340.0 22.369 22.369 22.369 0.000 -0.000 -0.000 3/63888 350.0 21.675 21.675 21.675 0.000 -0.000 -0.000 3/63888 360.0 21.024 21.024 21.024 0.000 -0.000 -0.000 3/63888 370.0 20.413 20.413 20.413 0.000 -0.000 -0.000 3/63888 380.0 19.838 19.838 19.838 0.000 -0.000 -0.000 3/63888 390.0 19.296 19.296 19.296 0.000 -0.000 -0.000 3/63888 400.0 18.784 18.784 18.784 0.000 -0.000 -0.000 3/63888 410.0 18.300 18.300 18.300 0.000 -0.000 -0.000 3/63888 420.0 17.842 17.842 17.842 0.000 -0.000 -0.000 3/63888 430.0 17.407 17.407 17.407 0.000 -0.000 -0.000 3/63888 440.0 16.994 16.994 16.994 0.000 -0.000 -0.000 3/63888 450.0 16.602 16.602 16.602 0.000 -0.000 -0.000 3/63888 460.0 16.228 16.228 16.228 0.000 -0.000 -0.000 3/63888 470.0 15.872 15.872 15.872 0.000 -0.000 -0.000 3/63888 480.0 15.531 15.531 15.531 0.000 -0.000 -0.000 3/63888 490.0 15.206 15.206 15.206 0.000 -0.000 -0.000 3/63888 500.0 14.896 14.896 14.896 0.000 -0.000 -0.000 3/63888 510.0 14.598 14.598 14.598 0.000 -0.000 -0.000 3/63888 520.0 14.313 14.313 14.313 0.000 -0.000 -0.000 3/63888 530.0 14.039 14.039 14.039 0.000 -0.000 -0.000 3/63888 540.0 13.776 13.776 13.776 0.000 -0.000 -0.000 3/63888 550.0 13.523 13.523 13.523 0.000 -0.000 -0.000 3/63888 560.0 13.280 13.280 13.280 0.000 -0.000 -0.000 3/63888 570.0 13.046 13.046 13.046 0.000 -0.000 -0.000 3/63888 580.0 12.820 12.820 12.820 0.000 -0.000 -0.000 3/63888 590.0 12.603 12.603 12.603 0.000 -0.000 -0.000 3/63888 600.0 12.393 12.393 12.393 0.000 -0.000 -0.000 3/63888 610.0 12.191 12.191 12.191 0.000 -0.000 -0.000 3/63888 620.0 11.995 11.995 11.995 0.000 -0.000 -0.000 3/63888 630.0 11.805 11.805 11.805 0.000 -0.000 -0.000 3/63888 640.0 11.622 11.622 11.622 0.000 -0.000 -0.000 3/63888 650.0 11.445 11.445 11.445 0.000 -0.000 -0.000 3/63888 660.0 11.273 11.273 11.273 0.000 -0.000 -0.000 3/63888 670.0 11.107 11.107 11.107 0.000 -0.000 -0.000 3/63888 680.0 10.946 10.946 10.946 0.000 -0.000 -0.000 3/63888 690.0 10.789 10.789 10.789 0.000 -0.000 -0.000 3/63888 700.0 10.637 10.637 10.637 0.000 -0.000 -0.000 3/63888 710.0 10.490 10.490 10.490 0.000 -0.000 -0.000 3/63888 720.0 10.346 10.346 10.346 0.000 -0.000 -0.000 3/63888 730.0 10.207 10.207 10.207 0.000 -0.000 -0.000 3/63888 740.0 10.071 10.071 10.071 0.000 -0.000 -0.000 3/63888 750.0 9.940 9.940 9.940 0.000 -0.000 -0.000 3/63888 760.0 9.811 9.811 9.811 0.000 -0.000 -0.000 3/63888 770.0 9.687 9.687 9.687 0.000 -0.000 -0.000 3/63888 780.0 9.565 9.565 9.565 0.000 -0.000 -0.000 3/63888 790.0 9.446 9.446 9.446 0.000 -0.000 -0.000 3/63888 800.0 9.331 9.331 9.331 0.000 -0.000 -0.000 3/63888 810.0 9.218 9.218 9.218 0.000 -0.000 -0.000 3/63888 820.0 9.108 9.108 9.108 0.000 -0.000 -0.000 3/63888 830.0 9.001 9.001 9.001 0.000 -0.000 -0.000 3/63888 840.0 8.897 8.897 8.897 0.000 -0.000 -0.000 3/63888 850.0 8.794 8.794 8.794 0.000 -0.000 -0.000 3/63888 860.0 8.695 8.695 8.695 0.000 -0.000 -0.000 3/63888 870.0 8.597 8.597 8.597 0.000 -0.000 -0.000 3/63888 880.0 8.502 8.502 8.502 0.000 -0.000 -0.000 3/63888 890.0 8.409 8.409 8.409 0.000 -0.000 -0.000 3/63888 900.0 8.318 8.318 8.318 0.000 -0.000 -0.000 3/63888 910.0 8.229 8.229 8.229 0.000 -0.000 -0.000 3/63888 920.0 8.142 8.142 8.142 0.000 -0.000 -0.000 3/63888 930.0 8.057 8.057 8.057 0.000 -0.000 -0.000 3/63888 940.0 7.973 7.973 7.973 0.000 -0.000 -0.000 3/63888 950.0 7.892 7.892 7.892 0.000 -0.000 -0.000 3/63888 960.0 7.812 7.812 7.812 0.000 -0.000 -0.000 3/63888 970.0 7.733 7.733 7.733 0.000 -0.000 -0.000 3/63888 980.0 7.657 7.657 7.657 0.000 -0.000 -0.000 3/63888 990.0 7.581 7.581 7.581 0.000 -0.000 -0.000 3/63888 1000.0 7.508 7.508 7.508 0.000 -0.000 -0.000 3/63888 Thermal conductivity related properties were written into "kappa-m222222.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:32:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|