----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:32:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 256 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.425841840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.425841840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.886494510000000 Atomic positions (fractional): *1 O 0.69372595784256 0.69372595784256 0.00000000000000 15.999 2 O 0.80627404215744 0.19372595784256 0.50000000000000 15.999 3 O 0.30627404215744 0.30627404215744 0.00000000000000 15.999 4 O 0.19372595784256 0.80627404215744 0.50000000000000 15.999 *5 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 6 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.425841840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.425841840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.886494510000000 Atomic positions (fractional): *1 O 0.69372595784256 0.69372595784256 0.00000000000000 15.999 > 1 2 O 0.80627404215744 0.19372595784256 0.50000000000000 15.999 > 2 3 O 0.30627404215744 0.30627404215744 0.00000000000000 15.999 > 3 4 O 0.19372595784256 0.80627404215744 0.50000000000000 15.999 > 4 *5 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 5 6 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.851683680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.851683680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.545978040000000 Atomic positions (fractional): *1 O 0.34686297892128 0.34686297892128 0.00000000000000 15.999 > 1 2 O 0.84686297892128 0.34686297892128 0.00000000000000 15.999 > 1 3 O 0.34686297892128 0.84686297892128 0.00000000000000 15.999 > 1 4 O 0.84686297892128 0.84686297892128 0.00000000000000 15.999 > 1 5 O 0.34686297892128 0.34686297892128 0.25000000000000 15.999 > 1 6 O 0.84686297892128 0.34686297892128 0.25000000000000 15.999 > 1 7 O 0.34686297892128 0.84686297892128 0.25000000000000 15.999 > 1 8 O 0.84686297892128 0.84686297892128 0.25000000000000 15.999 > 1 9 O 0.34686297892128 0.34686297892128 0.50000000000000 15.999 > 1 10 O 0.84686297892128 0.34686297892128 0.50000000000000 15.999 > 1 11 O 0.34686297892128 0.84686297892128 0.50000000000000 15.999 > 1 12 O 0.84686297892128 0.84686297892128 0.50000000000000 15.999 > 1 13 O 0.34686297892128 0.34686297892128 0.75000000000000 15.999 > 1 14 O 0.84686297892128 0.34686297892128 0.75000000000000 15.999 > 1 15 O 0.34686297892128 0.84686297892128 0.75000000000000 15.999 > 1 16 O 0.84686297892128 0.84686297892128 0.75000000000000 15.999 > 1 17 O 0.40313702107872 0.09686297892128 0.12500000000000 15.999 > 2 18 O 0.90313702107872 0.09686297892128 0.12500000000000 15.999 > 2 19 O 0.40313702107872 0.59686297892128 0.12500000000000 15.999 > 2 20 O 0.90313702107872 0.59686297892128 0.12500000000000 15.999 > 2 21 O 0.40313702107872 0.09686297892128 0.37500000000000 15.999 > 2 22 O 0.90313702107872 0.09686297892128 0.37500000000000 15.999 > 2 23 O 0.40313702107872 0.59686297892128 0.37500000000000 15.999 > 2 24 O 0.90313702107872 0.59686297892128 0.37500000000000 15.999 > 2 25 O 0.40313702107872 0.09686297892128 0.62500000000000 15.999 > 2 26 O 0.90313702107872 0.09686297892128 0.62500000000000 15.999 > 2 27 O 0.40313702107872 0.59686297892128 0.62500000000000 15.999 > 2 28 O 0.90313702107872 0.59686297892128 0.62500000000000 15.999 > 2 29 O 0.40313702107872 0.09686297892128 0.87500000000000 15.999 > 2 30 O 0.90313702107872 0.09686297892128 0.87500000000000 15.999 > 2 31 O 0.40313702107872 0.59686297892128 0.87500000000000 15.999 > 2 32 O 0.90313702107872 0.59686297892128 0.87500000000000 15.999 > 2 33 O 0.15313702107872 0.15313702107872 0.00000000000000 15.999 > 3 34 O 0.65313702107872 0.15313702107872 0.00000000000000 15.999 > 3 35 O 0.15313702107872 0.65313702107872 0.00000000000000 15.999 > 3 36 O 0.65313702107872 0.65313702107872 0.00000000000000 15.999 > 3 37 O 0.15313702107872 0.15313702107872 0.25000000000000 15.999 > 3 38 O 0.65313702107872 0.15313702107872 0.25000000000000 15.999 > 3 39 O 0.15313702107872 0.65313702107872 0.25000000000000 15.999 > 3 40 O 0.65313702107872 0.65313702107872 0.25000000000000 15.999 > 3 41 O 0.15313702107872 0.15313702107872 0.50000000000000 15.999 > 3 42 O 0.65313702107872 0.15313702107872 0.50000000000000 15.999 > 3 43 O 0.15313702107872 0.65313702107872 0.50000000000000 15.999 > 3 44 O 0.65313702107872 0.65313702107872 0.50000000000000 15.999 > 3 45 O 0.15313702107872 0.15313702107872 0.75000000000000 15.999 > 3 46 O 0.65313702107872 0.15313702107872 0.75000000000000 15.999 > 3 47 O 0.15313702107872 0.65313702107872 0.75000000000000 15.999 > 3 48 O 0.65313702107872 0.65313702107872 0.75000000000000 15.999 > 3 49 O 0.09686297892128 0.40313702107872 0.12500000000000 15.999 > 4 50 O 0.59686297892128 0.40313702107872 0.12500000000000 15.999 > 4 51 O 0.09686297892128 0.90313702107872 0.12500000000000 15.999 > 4 52 O 0.59686297892128 0.90313702107872 0.12500000000000 15.999 > 4 53 O 0.09686297892128 0.40313702107872 0.37500000000000 15.999 > 4 54 O 0.59686297892128 0.40313702107872 0.37500000000000 15.999 > 4 55 O 0.09686297892128 0.90313702107872 0.37500000000000 15.999 > 4 56 O 0.59686297892128 0.90313702107872 0.37500000000000 15.999 > 4 57 O 0.09686297892128 0.40313702107872 0.62500000000000 15.999 > 4 58 O 0.59686297892128 0.40313702107872 0.62500000000000 15.999 > 4 59 O 0.09686297892128 0.90313702107872 0.62500000000000 15.999 > 4 60 O 0.59686297892128 0.90313702107872 0.62500000000000 15.999 > 4 61 O 0.09686297892128 0.40313702107872 0.87500000000000 15.999 > 4 62 O 0.59686297892128 0.40313702107872 0.87500000000000 15.999 > 4 63 O 0.09686297892128 0.90313702107872 0.87500000000000 15.999 > 4 64 O 0.59686297892128 0.90313702107872 0.87500000000000 15.999 > 4 *65 Ge 0.25000000000000 0.25000000000000 0.12500000000000 72.640 > 5 66 Ge 0.75000000000000 0.25000000000000 0.12500000000000 72.640 > 5 67 Ge 0.25000000000000 0.75000000000000 0.12500000000000 72.640 > 5 68 Ge 0.75000000000000 0.75000000000000 0.12500000000000 72.640 > 5 69 Ge 0.25000000000000 0.25000000000000 0.37500000000000 72.640 > 5 70 Ge 0.75000000000000 0.25000000000000 0.37500000000000 72.640 > 5 71 Ge 0.25000000000000 0.75000000000000 0.37500000000000 72.640 > 5 72 Ge 0.75000000000000 0.75000000000000 0.37500000000000 72.640 > 5 73 Ge 0.25000000000000 0.25000000000000 0.62500000000000 72.640 > 5 74 Ge 0.75000000000000 0.25000000000000 0.62500000000000 72.640 > 5 75 Ge 0.25000000000000 0.75000000000000 0.62500000000000 72.640 > 5 76 Ge 0.75000000000000 0.75000000000000 0.62500000000000 72.640 > 5 77 Ge 0.25000000000000 0.25000000000000 0.87500000000000 72.640 > 5 78 Ge 0.75000000000000 0.25000000000000 0.87500000000000 72.640 > 5 79 Ge 0.25000000000000 0.75000000000000 0.87500000000000 72.640 > 5 80 Ge 0.75000000000000 0.75000000000000 0.87500000000000 72.640 > 5 81 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 6 82 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 6 83 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 6 84 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 6 85 Ge 0.00000000000000 0.00000000000000 0.25000000000000 72.640 > 6 86 Ge 0.50000000000000 0.00000000000000 0.25000000000000 72.640 > 6 87 Ge 0.00000000000000 0.50000000000000 0.25000000000000 72.640 > 6 88 Ge 0.50000000000000 0.50000000000000 0.25000000000000 72.640 > 6 89 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 6 90 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 6 91 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 6 92 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 6 93 Ge 0.00000000000000 0.00000000000000 0.75000000000000 72.640 > 6 94 Ge 0.50000000000000 0.00000000000000 0.75000000000000 72.640 > 6 95 Ge 0.00000000000000 0.50000000000000 0.75000000000000 72.640 > 6 96 Ge 0.50000000000000 0.50000000000000 0.75000000000000 72.640 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3416266 0.0000000 0.0000000 0.0000000 4.3416266 0.0000000 0.0000000 0.0000000 4.6055648 -------------------------- Born effective charges -------------------------- 1 O -2.0531895 -0.7302431 0.0000000 -0.7302431 -2.0531895 0.0000000 0.0000000 0.0000000 -2.2070593 2 O -2.0531895 0.7302431 0.0000000 0.7302431 -2.0531895 0.0000000 0.0000000 0.0000000 -2.2070593 3 O -2.0531895 -0.7302431 0.0000000 -0.7302431 -2.0531895 0.0000000 0.0000000 0.0000000 -2.2070593 4 O -2.0531895 0.7302431 0.0000000 0.7302431 -2.0531895 0.0000000 0.0000000 0.0000000 -2.2070593 5 Ge 4.1063789 -0.6001699 0.0000000 -0.6001699 4.1063789 0.0000000 0.0000000 0.0000000 4.4141186 6 Ge 4.1063789 0.6001699 0.0000000 0.6001699 4.1063789 0.0000000 0.0000000 0.0000000 4.4141186 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 2988/2988 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 223 Number of blocks in projector: 223 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 57 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (223, 217), data: False |-- (48, 46), data: True |-- (52, 52), data: True |-- (57, 55), data: True |-- (66, 64), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.084 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.105 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 2988/2988 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 223 Number of blocks in projector: 223 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 57 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (223, 217), data: False |-- (48, 46), data: True |-- (52, 52), data: True |-- (57, 55), data: True |-- (66, 64), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:32:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:32:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.425841840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.425841840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.886494510000000 Atomic positions (fractional): 1 O 0.69372595784256 0.69372595784256 0.00000000000000 15.999 2 O 0.80627404215744 0.19372595784256 0.50000000000000 15.999 3 O 0.30627404215744 0.30627404215744 0.00000000000000 15.999 4 O 0.19372595784256 0.80627404215744 0.50000000000000 15.999 5 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 6 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.851683680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.851683680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.545978040000000 Atomic positions (fractional): 1 O 0.34686297892128 0.34686297892128 0.00000000000000 15.999 > 1 2 O 0.84686297892128 0.34686297892128 0.00000000000000 15.999 > 1 3 O 0.34686297892128 0.84686297892128 0.00000000000000 15.999 > 1 4 O 0.84686297892128 0.84686297892128 0.00000000000000 15.999 > 1 5 O 0.34686297892128 0.34686297892128 0.25000000000000 15.999 > 1 6 O 0.84686297892128 0.34686297892128 0.25000000000000 15.999 > 1 7 O 0.34686297892128 0.84686297892128 0.25000000000000 15.999 > 1 8 O 0.84686297892128 0.84686297892128 0.25000000000000 15.999 > 1 9 O 0.34686297892128 0.34686297892128 0.50000000000000 15.999 > 1 10 O 0.84686297892128 0.34686297892128 0.50000000000000 15.999 > 1 11 O 0.34686297892128 0.84686297892128 0.50000000000000 15.999 > 1 12 O 0.84686297892128 0.84686297892128 0.50000000000000 15.999 > 1 13 O 0.34686297892128 0.34686297892128 0.75000000000000 15.999 > 1 14 O 0.84686297892128 0.34686297892128 0.75000000000000 15.999 > 1 15 O 0.34686297892128 0.84686297892128 0.75000000000000 15.999 > 1 16 O 0.84686297892128 0.84686297892128 0.75000000000000 15.999 > 1 17 O 0.40313702107872 0.09686297892128 0.12500000000000 15.999 > 17 18 O 0.90313702107872 0.09686297892128 0.12500000000000 15.999 > 17 19 O 0.40313702107872 0.59686297892128 0.12500000000000 15.999 > 17 20 O 0.90313702107872 0.59686297892128 0.12500000000000 15.999 > 17 21 O 0.40313702107872 0.09686297892128 0.37500000000000 15.999 > 17 22 O 0.90313702107872 0.09686297892128 0.37500000000000 15.999 > 17 23 O 0.40313702107872 0.59686297892128 0.37500000000000 15.999 > 17 24 O 0.90313702107872 0.59686297892128 0.37500000000000 15.999 > 17 25 O 0.40313702107872 0.09686297892128 0.62500000000000 15.999 > 17 26 O 0.90313702107872 0.09686297892128 0.62500000000000 15.999 > 17 27 O 0.40313702107872 0.59686297892128 0.62500000000000 15.999 > 17 28 O 0.90313702107872 0.59686297892128 0.62500000000000 15.999 > 17 29 O 0.40313702107872 0.09686297892128 0.87500000000000 15.999 > 17 30 O 0.90313702107872 0.09686297892128 0.87500000000000 15.999 > 17 31 O 0.40313702107872 0.59686297892128 0.87500000000000 15.999 > 17 32 O 0.90313702107872 0.59686297892128 0.87500000000000 15.999 > 17 33 O 0.15313702107872 0.15313702107872 0.00000000000000 15.999 > 33 34 O 0.65313702107872 0.15313702107872 0.00000000000000 15.999 > 33 35 O 0.15313702107872 0.65313702107872 0.00000000000000 15.999 > 33 36 O 0.65313702107872 0.65313702107872 0.00000000000000 15.999 > 33 37 O 0.15313702107872 0.15313702107872 0.25000000000000 15.999 > 33 38 O 0.65313702107872 0.15313702107872 0.25000000000000 15.999 > 33 39 O 0.15313702107872 0.65313702107872 0.25000000000000 15.999 > 33 40 O 0.65313702107872 0.65313702107872 0.25000000000000 15.999 > 33 41 O 0.15313702107872 0.15313702107872 0.50000000000000 15.999 > 33 42 O 0.65313702107872 0.15313702107872 0.50000000000000 15.999 > 33 43 O 0.15313702107872 0.65313702107872 0.50000000000000 15.999 > 33 44 O 0.65313702107872 0.65313702107872 0.50000000000000 15.999 > 33 45 O 0.15313702107872 0.15313702107872 0.75000000000000 15.999 > 33 46 O 0.65313702107872 0.15313702107872 0.75000000000000 15.999 > 33 47 O 0.15313702107872 0.65313702107872 0.75000000000000 15.999 > 33 48 O 0.65313702107872 0.65313702107872 0.75000000000000 15.999 > 33 49 O 0.09686297892128 0.40313702107872 0.12500000000000 15.999 > 49 50 O 0.59686297892128 0.40313702107872 0.12500000000000 15.999 > 49 51 O 0.09686297892128 0.90313702107872 0.12500000000000 15.999 > 49 52 O 0.59686297892128 0.90313702107872 0.12500000000000 15.999 > 49 53 O 0.09686297892128 0.40313702107872 0.37500000000000 15.999 > 49 54 O 0.59686297892128 0.40313702107872 0.37500000000000 15.999 > 49 55 O 0.09686297892128 0.90313702107872 0.37500000000000 15.999 > 49 56 O 0.59686297892128 0.90313702107872 0.37500000000000 15.999 > 49 57 O 0.09686297892128 0.40313702107872 0.62500000000000 15.999 > 49 58 O 0.59686297892128 0.40313702107872 0.62500000000000 15.999 > 49 59 O 0.09686297892128 0.90313702107872 0.62500000000000 15.999 > 49 60 O 0.59686297892128 0.90313702107872 0.62500000000000 15.999 > 49 61 O 0.09686297892128 0.40313702107872 0.87500000000000 15.999 > 49 62 O 0.59686297892128 0.40313702107872 0.87500000000000 15.999 > 49 63 O 0.09686297892128 0.90313702107872 0.87500000000000 15.999 > 49 64 O 0.59686297892128 0.90313702107872 0.87500000000000 15.999 > 49 65 Ge 0.25000000000000 0.25000000000000 0.12500000000000 72.640 > 65 66 Ge 0.75000000000000 0.25000000000000 0.12500000000000 72.640 > 65 67 Ge 0.25000000000000 0.75000000000000 0.12500000000000 72.640 > 65 68 Ge 0.75000000000000 0.75000000000000 0.12500000000000 72.640 > 65 69 Ge 0.25000000000000 0.25000000000000 0.37500000000000 72.640 > 65 70 Ge 0.75000000000000 0.25000000000000 0.37500000000000 72.640 > 65 71 Ge 0.25000000000000 0.75000000000000 0.37500000000000 72.640 > 65 72 Ge 0.75000000000000 0.75000000000000 0.37500000000000 72.640 > 65 73 Ge 0.25000000000000 0.25000000000000 0.62500000000000 72.640 > 65 74 Ge 0.75000000000000 0.25000000000000 0.62500000000000 72.640 > 65 75 Ge 0.25000000000000 0.75000000000000 0.62500000000000 72.640 > 65 76 Ge 0.75000000000000 0.75000000000000 0.62500000000000 72.640 > 65 77 Ge 0.25000000000000 0.25000000000000 0.87500000000000 72.640 > 65 78 Ge 0.75000000000000 0.25000000000000 0.87500000000000 72.640 > 65 79 Ge 0.25000000000000 0.75000000000000 0.87500000000000 72.640 > 65 80 Ge 0.75000000000000 0.75000000000000 0.87500000000000 72.640 > 65 81 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 81 82 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 81 83 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 81 84 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 81 85 Ge 0.00000000000000 0.00000000000000 0.25000000000000 72.640 > 81 86 Ge 0.50000000000000 0.00000000000000 0.25000000000000 72.640 > 81 87 Ge 0.00000000000000 0.50000000000000 0.25000000000000 72.640 > 81 88 Ge 0.50000000000000 0.50000000000000 0.25000000000000 72.640 > 81 89 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 81 90 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 81 91 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 81 92 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 81 93 Ge 0.00000000000000 0.00000000000000 0.75000000000000 72.640 > 81 94 Ge 0.50000000000000 0.00000000000000 0.75000000000000 72.640 > 81 95 Ge 0.00000000000000 0.50000000000000 0.75000000000000 72.640 > 81 96 Ge 0.50000000000000 0.50000000000000 0.75000000000000 72.640 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3416266 0.0000000 0.0000000 0.0000000 4.3416266 0.0000000 0.0000000 0.0000000 4.6055648 -------------------------- Born effective charges -------------------------- 1 O -2.0531895 -0.7302431 0.0000000 -0.7302431 -2.0531895 0.0000000 0.0000000 0.0000000 -2.2070593 2 O -2.0531895 0.7302431 0.0000000 0.7302431 -2.0531895 0.0000000 0.0000000 0.0000000 -2.2070593 3 O -2.0531895 -0.7302431 0.0000000 -0.7302431 -2.0531895 0.0000000 0.0000000 0.0000000 -2.2070593 4 O -2.0531895 0.7302431 0.0000000 0.7302431 -2.0531895 0.0000000 0.0000000 0.0000000 -2.2070593 5 Ge 4.1063789 -0.6001699 0.0000000 -0.6001699 4.1063789 0.0000000 0.0000000 0.0000000 4.4141186 6 Ge 4.1063789 0.6001699 0.0000000 0.6001699 4.1063789 0.0000000 0.0000000 0.0000000 4.4141186 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000011 (yyy) -0.00000011 (yyy) -0.00000011 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:32:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:32:41]------------------------- 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 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.425841840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.425841840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.886494510000000 Atomic positions (fractional): 1 O 0.69372595784256 0.69372595784256 0.00000000000000 15.999 2 O 0.80627404215744 0.19372595784256 0.50000000000000 15.999 3 O 0.30627404215744 0.30627404215744 0.00000000000000 15.999 4 O 0.19372595784256 0.80627404215744 0.50000000000000 15.999 5 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 6 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.851683680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.851683680000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.545978040000000 Atomic positions (fractional): 1 O 0.34686297892128 0.34686297892128 0.00000000000000 15.999 > 1 2 O 0.84686297892128 0.34686297892128 0.00000000000000 15.999 > 1 3 O 0.34686297892128 0.84686297892128 0.00000000000000 15.999 > 1 4 O 0.84686297892128 0.84686297892128 0.00000000000000 15.999 > 1 5 O 0.34686297892128 0.34686297892128 0.25000000000000 15.999 > 1 6 O 0.84686297892128 0.34686297892128 0.25000000000000 15.999 > 1 7 O 0.34686297892128 0.84686297892128 0.25000000000000 15.999 > 1 8 O 0.84686297892128 0.84686297892128 0.25000000000000 15.999 > 1 9 O 0.34686297892128 0.34686297892128 0.50000000000000 15.999 > 1 10 O 0.84686297892128 0.34686297892128 0.50000000000000 15.999 > 1 11 O 0.34686297892128 0.84686297892128 0.50000000000000 15.999 > 1 12 O 0.84686297892128 0.84686297892128 0.50000000000000 15.999 > 1 13 O 0.34686297892128 0.34686297892128 0.75000000000000 15.999 > 1 14 O 0.84686297892128 0.34686297892128 0.75000000000000 15.999 > 1 15 O 0.34686297892128 0.84686297892128 0.75000000000000 15.999 > 1 16 O 0.84686297892128 0.84686297892128 0.75000000000000 15.999 > 1 17 O 0.40313702107872 0.09686297892128 0.12500000000000 15.999 > 17 18 O 0.90313702107872 0.09686297892128 0.12500000000000 15.999 > 17 19 O 0.40313702107872 0.59686297892128 0.12500000000000 15.999 > 17 20 O 0.90313702107872 0.59686297892128 0.12500000000000 15.999 > 17 21 O 0.40313702107872 0.09686297892128 0.37500000000000 15.999 > 17 22 O 0.90313702107872 0.09686297892128 0.37500000000000 15.999 > 17 23 O 0.40313702107872 0.59686297892128 0.37500000000000 15.999 > 17 24 O 0.90313702107872 0.59686297892128 0.37500000000000 15.999 > 17 25 O 0.40313702107872 0.09686297892128 0.62500000000000 15.999 > 17 26 O 0.90313702107872 0.09686297892128 0.62500000000000 15.999 > 17 27 O 0.40313702107872 0.59686297892128 0.62500000000000 15.999 > 17 28 O 0.90313702107872 0.59686297892128 0.62500000000000 15.999 > 17 29 O 0.40313702107872 0.09686297892128 0.87500000000000 15.999 > 17 30 O 0.90313702107872 0.09686297892128 0.87500000000000 15.999 > 17 31 O 0.40313702107872 0.59686297892128 0.87500000000000 15.999 > 17 32 O 0.90313702107872 0.59686297892128 0.87500000000000 15.999 > 17 33 O 0.15313702107872 0.15313702107872 0.00000000000000 15.999 > 33 34 O 0.65313702107872 0.15313702107872 0.00000000000000 15.999 > 33 35 O 0.15313702107872 0.65313702107872 0.00000000000000 15.999 > 33 36 O 0.65313702107872 0.65313702107872 0.00000000000000 15.999 > 33 37 O 0.15313702107872 0.15313702107872 0.25000000000000 15.999 > 33 38 O 0.65313702107872 0.15313702107872 0.25000000000000 15.999 > 33 39 O 0.15313702107872 0.65313702107872 0.25000000000000 15.999 > 33 40 O 0.65313702107872 0.65313702107872 0.25000000000000 15.999 > 33 41 O 0.15313702107872 0.15313702107872 0.50000000000000 15.999 > 33 42 O 0.65313702107872 0.15313702107872 0.50000000000000 15.999 > 33 43 O 0.15313702107872 0.65313702107872 0.50000000000000 15.999 > 33 44 O 0.65313702107872 0.65313702107872 0.50000000000000 15.999 > 33 45 O 0.15313702107872 0.15313702107872 0.75000000000000 15.999 > 33 46 O 0.65313702107872 0.15313702107872 0.75000000000000 15.999 > 33 47 O 0.15313702107872 0.65313702107872 0.75000000000000 15.999 > 33 48 O 0.65313702107872 0.65313702107872 0.75000000000000 15.999 > 33 49 O 0.09686297892128 0.40313702107872 0.12500000000000 15.999 > 49 50 O 0.59686297892128 0.40313702107872 0.12500000000000 15.999 > 49 51 O 0.09686297892128 0.90313702107872 0.12500000000000 15.999 > 49 52 O 0.59686297892128 0.90313702107872 0.12500000000000 15.999 > 49 53 O 0.09686297892128 0.40313702107872 0.37500000000000 15.999 > 49 54 O 0.59686297892128 0.40313702107872 0.37500000000000 15.999 > 49 55 O 0.09686297892128 0.90313702107872 0.37500000000000 15.999 > 49 56 O 0.59686297892128 0.90313702107872 0.37500000000000 15.999 > 49 57 O 0.09686297892128 0.40313702107872 0.62500000000000 15.999 > 49 58 O 0.59686297892128 0.40313702107872 0.62500000000000 15.999 > 49 59 O 0.09686297892128 0.90313702107872 0.62500000000000 15.999 > 49 60 O 0.59686297892128 0.90313702107872 0.62500000000000 15.999 > 49 61 O 0.09686297892128 0.40313702107872 0.87500000000000 15.999 > 49 62 O 0.59686297892128 0.40313702107872 0.87500000000000 15.999 > 49 63 O 0.09686297892128 0.90313702107872 0.87500000000000 15.999 > 49 64 O 0.59686297892128 0.90313702107872 0.87500000000000 15.999 > 49 65 Ge 0.25000000000000 0.25000000000000 0.12500000000000 72.640 > 65 66 Ge 0.75000000000000 0.25000000000000 0.12500000000000 72.640 > 65 67 Ge 0.25000000000000 0.75000000000000 0.12500000000000 72.640 > 65 68 Ge 0.75000000000000 0.75000000000000 0.12500000000000 72.640 > 65 69 Ge 0.25000000000000 0.25000000000000 0.37500000000000 72.640 > 65 70 Ge 0.75000000000000 0.25000000000000 0.37500000000000 72.640 > 65 71 Ge 0.25000000000000 0.75000000000000 0.37500000000000 72.640 > 65 72 Ge 0.75000000000000 0.75000000000000 0.37500000000000 72.640 > 65 73 Ge 0.25000000000000 0.25000000000000 0.62500000000000 72.640 > 65 74 Ge 0.75000000000000 0.25000000000000 0.62500000000000 72.640 > 65 75 Ge 0.25000000000000 0.75000000000000 0.62500000000000 72.640 > 65 76 Ge 0.75000000000000 0.75000000000000 0.62500000000000 72.640 > 65 77 Ge 0.25000000000000 0.25000000000000 0.87500000000000 72.640 > 65 78 Ge 0.75000000000000 0.25000000000000 0.87500000000000 72.640 > 65 79 Ge 0.25000000000000 0.75000000000000 0.87500000000000 72.640 > 65 80 Ge 0.75000000000000 0.75000000000000 0.87500000000000 72.640 > 65 81 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 81 82 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 81 83 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 81 84 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 81 85 Ge 0.00000000000000 0.00000000000000 0.25000000000000 72.640 > 81 86 Ge 0.50000000000000 0.00000000000000 0.25000000000000 72.640 > 81 87 Ge 0.00000000000000 0.50000000000000 0.25000000000000 72.640 > 81 88 Ge 0.50000000000000 0.50000000000000 0.25000000000000 72.640 > 81 89 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 81 90 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 81 91 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 81 92 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 81 93 Ge 0.00000000000000 0.00000000000000 0.75000000000000 72.640 > 81 94 Ge 0.50000000000000 0.00000000000000 0.75000000000000 72.640 > 81 95 Ge 0.00000000000000 0.50000000000000 0.75000000000000 72.640 > 81 96 Ge 0.50000000000000 0.50000000000000 0.75000000000000 72.640 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3416266 0.0000000 0.0000000 0.0000000 4.3416266 0.0000000 0.0000000 0.0000000 4.6055648 -------------------------- Born effective charges -------------------------- 1 O -2.0531895 -0.7302431 0.0000000 -0.7302431 -2.0531895 0.0000000 0.0000000 0.0000000 -2.2070593 2 O -2.0531895 0.7302431 0.0000000 0.7302431 -2.0531895 0.0000000 0.0000000 0.0000000 -2.2070593 3 O -2.0531895 -0.7302431 0.0000000 -0.7302431 -2.0531895 0.0000000 0.0000000 0.0000000 -2.2070593 4 O -2.0531895 0.7302431 0.0000000 0.7302431 -2.0531895 0.0000000 0.0000000 0.0000000 -2.2070593 5 Ge 4.1063789 -0.6001699 0.0000000 -0.6001699 4.1063789 0.0000000 0.0000000 0.0000000 4.4141186 6 Ge 4.1063789 0.6001699 0.0000000 0.6001699 4.1063789 0.0000000 0.0000000 0.0000000 4.4141186 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000011 (yyy) -0.00000011 (yyy) -0.00000011 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 17 ] 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: 1.08, Number of G-points: 307, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 189 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 4.509 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 10.420 ( 0.000 0.000 0.000) 0.000 10.420 ( 0.000 0.000 0.000) 0.000 13.154 ( 0.000 0.000 0.000) 0.000 14.506 ( 0.000 0.000 0.000) 0.000 15.115 ( 0.000 0.000 0.000) 0.000 15.115 ( 0.000 0.000 0.000) 0.000 18.625 ( 0.000 0.000 0.000) 0.000 18.625 ( 0.000 0.000 0.000) 0.000 18.695 ( 0.000 0.000 0.000) 0.000 20.018 ( 0.000 0.000 0.000) 0.000 24.503 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 47.520 0.000 0.000) 47.520 1.242 ( 60.120 0.000 0.000) 60.120 1.470 ( 71.077 0.000 0.000) 71.077 4.697 ( 17.563 0.000 0.000) 17.563 6.005 ( -4.482 0.000 0.000) 4.482 8.669 ( 3.508 0.000 0.000) 3.508 10.294 ( -6.545 0.000 0.000) 6.545 10.313 ( -10.415 0.000 0.000) 10.415 12.951 ( -5.351 0.000 0.000) 5.351 13.098 ( -5.388 0.000 0.000) 5.388 14.439 ( -4.875 0.000 0.000) 4.875 15.092 ( -2.265 0.000 0.000) 2.265 15.281 ( 14.459 0.000 0.000) 14.459 18.638 ( 1.216 0.000 0.000) 1.216 18.648 ( -4.587 0.000 0.000) 4.587 19.955 ( -5.918 0.000 0.000) 5.918 23.560 ( 4.620 0.000 0.000) 4.620 24.497 ( -0.604 0.000 0.000) 0.604 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 44.875 0.000 0.000) 44.875 2.461 ( 58.354 0.000 0.000) 58.354 2.909 ( 68.772 0.000 0.000) 68.772 5.176 ( 27.378 0.000 0.000) 27.378 5.866 ( -9.076 0.000 0.000) 9.076 8.769 ( 5.955 0.000 0.000) 5.955 9.996 ( -20.212 0.000 0.000) 20.212 10.096 ( -12.605 0.000 0.000) 12.605 12.797 ( -9.327 0.000 0.000) 9.327 12.936 ( -10.122 0.000 0.000) 10.122 14.355 ( -2.704 0.000 0.000) 2.704 15.023 ( -4.347 0.000 0.000) 4.347 15.651 ( 20.752 0.000 0.000) 20.752 18.507 ( -9.124 0.000 0.000) 9.124 18.677 ( 2.628 0.000 0.000) 2.628 19.789 ( -9.740 0.000 0.000) 9.740 23.689 ( 7.534 0.000 0.000) 7.534 24.478 ( -1.355 0.000 0.000) 1.355 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 40.795 0.000 0.000) 40.795 3.626 ( 54.685 0.000 0.000) 54.685 4.282 ( 64.496 0.000 0.000) 64.496 5.630 ( -13.893 0.000 0.000) 13.893 5.748 ( 26.510 0.000 0.000) 26.510 8.894 ( 5.153 0.000 0.000) 5.153 9.494 ( -27.963 0.000 0.000) 27.963 9.792 ( -16.379 0.000 0.000) 16.379 12.585 ( -10.797 0.000 0.000) 10.797 12.696 ( -12.753 0.000 0.000) 12.753 14.336 ( 0.857 0.000 0.000) 0.857 14.916 ( -6.029 0.000 0.000) 6.029 16.111 ( 23.635 0.000 0.000) 23.635 18.275 ( -13.508 0.000 0.000) 13.508 18.747 ( 4.195 0.000 0.000) 4.195 19.572 ( -10.979 0.000 0.000) 10.979 23.856 ( 8.406 0.000 0.000) 8.406 24.440 ( -2.341 0.000 0.000) 2.341 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( 35.716 0.000 0.000) 35.716 4.685 ( 47.670 0.000 0.000) 47.670 5.293 ( -19.019 0.000 0.000) 19.019 5.519 ( 52.961 0.000 0.000) 52.961 6.207 ( 18.686 0.000 0.000) 18.686 8.708 ( -32.962 0.000 0.000) 32.962 9.109 ( -0.102 0.000 0.000) 0.102 9.463 ( -14.319 0.000 0.000) 14.319 12.376 ( -8.882 0.000 0.000) 8.882 12.441 ( -11.300 0.000 0.000) 11.300 14.388 ( 3.994 0.000 0.000) 3.994 14.780 ( -7.053 0.000 0.000) 7.053 16.608 ( 24.373 0.000 0.000) 24.373 17.955 ( -17.549 0.000 0.000) 17.549 18.849 ( 5.774 0.000 0.000) 5.774 19.351 ( -10.386 0.000 0.000) 10.386 24.024 ( 7.837 0.000 0.000) 7.837 24.380 ( -3.581 0.000 0.000) 3.581 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.286 ( 30.131 0.000 0.000) 30.131 4.847 ( -24.470 0.000 0.000) 24.470 5.542 ( 34.251 0.000 0.000) 34.251 6.006 ( -7.533 0.000 0.000) 7.533 6.885 ( 48.301 0.000 0.000) 48.301 7.872 ( -45.584 0.000 0.000) 45.584 9.160 ( 2.907 0.000 0.000) 2.907 9.246 ( -6.646 0.000 0.000) 6.646 12.247 ( -3.107 0.000 0.000) 3.107 12.266 ( -5.046 0.000 0.000) 5.046 14.494 ( 6.153 0.000 0.000) 6.153 14.632 ( -7.158 0.000 0.000) 7.158 17.101 ( 23.361 0.000 0.000) 23.361 17.558 ( -20.956 0.000 0.000) 20.956 18.984 ( 7.349 0.000 0.000) 7.349 19.151 ( -8.956 0.000 0.000) 8.956 24.173 ( 6.541 0.000 0.000) 6.541 24.292 ( -5.026 0.000 0.000) 5.026 ======================= Grid point 12 (7/189) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 23.603 23.603 0.000) 33.380 1.392 ( 33.118 33.118 0.000) 46.836 2.515 ( 59.958 59.958 0.000) 84.794 4.876 ( 16.923 16.923 0.000) 23.932 5.962 ( -4.159 -4.159 0.000) 5.882 8.736 ( 4.606 4.606 0.000) 6.513 10.035 ( -16.057 -16.057 0.000) 22.708 10.426 ( 0.156 0.156 0.000) 0.221 12.855 ( -6.921 -6.921 0.000) 9.787 13.044 ( -5.224 -5.224 0.000) 7.388 14.395 ( -3.278 -3.278 0.000) 4.636 15.133 ( 0.870 0.870 0.000) 1.231 15.360 ( 9.740 9.740 0.000) 13.774 18.602 ( -4.546 -4.546 0.000) 6.429 18.654 ( 1.355 1.355 0.000) 1.916 19.895 ( -5.596 -5.596 0.000) 7.914 23.541 ( 1.493 1.493 0.000) 2.111 24.543 ( 1.392 1.392 0.000) 1.969 ======================= Grid point 13 (8/189) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 55.531 -20.651 0.000) 59.247 2.160 ( 39.434 20.050 0.000) 44.239 3.761 ( 60.362 52.769 0.000) 80.176 5.343 ( 26.894 15.760 0.000) 31.171 5.833 ( -8.463 -3.225 0.000) 9.056 8.837 ( 5.194 5.522 0.000) 7.581 9.621 ( -24.003 -24.028 0.000) 33.963 10.328 ( -9.065 9.248 0.000) 12.950 12.693 ( -8.946 -8.734 0.000) 12.502 12.887 ( -9.834 -4.758 0.000) 10.925 14.341 ( -1.429 -0.893 0.000) 1.685 15.094 ( -3.951 5.690 0.000) 6.927 15.671 ( 19.092 2.560 0.000) 19.263 18.462 ( -9.040 -4.421 0.000) 10.063 18.693 ( 2.471 1.409 0.000) 2.845 19.739 ( -9.194 -4.735 0.000) 10.341 23.634 ( 6.766 -2.935 0.000) 7.375 24.535 ( -1.795 3.359 0.000) 3.809 ======================= Grid point 14 (9/189) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 37.879 12.991 0.000) 40.045 3.094 ( 57.786 -30.165 0.000) 65.186 4.964 ( 55.852 45.202 0.000) 71.852 5.613 ( -13.034 -1.762 0.000) 13.152 5.906 ( 26.108 14.949 0.000) 30.085 8.895 ( -7.584 -5.888 0.000) 9.602 9.116 ( -16.737 -19.608 0.000) 25.780 10.070 ( -15.712 14.924 0.000) 21.670 12.494 ( -10.036 -8.151 0.000) 12.929 12.653 ( -12.540 -4.167 0.000) 13.214 14.346 ( 1.868 1.129 0.000) 2.182 14.988 ( -6.178 6.485 0.000) 8.956 16.107 ( 22.750 -0.266 0.000) 22.751 18.231 ( -13.377 -4.206 0.000) 14.022 18.758 ( 3.901 1.031 0.000) 4.035 19.534 ( -10.346 -3.574 0.000) 10.946 23.794 ( 8.471 -4.456 0.000) 9.571 24.479 ( -3.565 2.400 0.000) 4.297 ======================= Grid point 15 (10/189) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 33.748 8.497 0.000) 34.801 4.251 ( 54.200 -29.542 0.000) 61.729 5.295 ( -17.951 0.142 0.000) 17.951 5.958 ( 32.946 28.465 0.000) 43.540 6.383 ( 24.654 18.106 0.000) 30.589 8.376 ( -29.955 -26.655 0.000) 40.097 9.114 ( 4.510 2.075 0.000) 4.964 9.710 ( -18.185 16.523 0.000) 24.570 12.301 ( -8.146 -6.920 0.000) 10.689 12.399 ( -11.386 -3.917 0.000) 12.041 14.416 ( 4.834 2.831 0.000) 5.602 14.846 ( -7.432 6.188 0.000) 9.671 16.589 ( 23.810 -1.793 0.000) 23.877 17.915 ( -17.360 -3.885 0.000) 17.789 18.853 ( 5.407 0.413 0.000) 5.423 19.326 ( -9.784 -2.364 0.000) 10.066 23.970 ( 8.389 -4.461 0.000) 9.501 24.391 ( -4.971 0.355 0.000) 4.983 ======================= Grid point 16 (11/189) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( 28.602 5.158 0.000) 29.063 4.873 ( -23.199 2.437 0.000) 23.326 5.282 ( 44.776 -21.347 0.000) 49.604 5.999 ( -21.715 -3.111 0.000) 21.937 7.106 ( 37.402 18.793 0.000) 41.858 7.781 ( -28.993 -6.326 0.000) 29.675 9.210 ( 5.388 4.649 0.000) 7.116 9.382 ( -12.389 11.349 0.000) 16.801 12.186 ( -2.411 -5.575 0.000) 6.074 12.218 ( -5.526 -4.412 0.000) 7.071 14.538 ( 6.848 4.258 0.000) 8.064 14.689 ( -7.705 5.396 0.000) 9.407 17.072 ( 22.978 -2.765 0.000) 23.144 17.523 ( -20.688 -3.425 0.000) 20.969 18.980 ( 6.916 -0.355 0.000) 6.925 19.138 ( -8.439 -1.275 0.000) 8.535 24.134 ( 7.488 -3.487 0.000) 8.260 24.275 ( -6.278 -1.782 0.000) 6.526 ======================= Grid point 24 (12/189) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 21.515 21.515 0.000) 30.427 2.688 ( 29.558 29.558 0.000) 41.801 4.866 ( 53.601 53.601 0.000) 75.804 5.731 ( -6.695 -6.695 0.000) 9.468 5.783 ( 25.705 25.705 0.000) 36.352 8.957 ( 5.469 5.469 0.000) 7.734 9.043 ( -31.821 -31.821 0.000) 45.001 10.414 ( -1.056 -1.056 0.000) 1.494 12.492 ( -10.125 -10.125 0.000) 14.318 12.745 ( -8.899 -8.899 0.000) 12.585 14.340 ( 1.103 1.103 0.000) 1.560 15.184 ( 1.549 1.549 0.000) 2.190 15.802 ( 11.068 11.068 0.000) 15.653 18.326 ( -8.783 -8.783 0.000) 12.421 18.731 ( 2.261 2.261 0.000) 3.197 19.607 ( -7.752 -7.752 0.000) 10.963 23.629 ( 2.597 2.597 0.000) 3.673 24.559 ( -1.246 -1.246 0.000) 1.762 ======================= Grid point 25 (13/189) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 45.796 -9.966 0.000) 46.868 3.320 ( 31.093 20.965 0.000) 37.501 5.555 ( -10.579 -3.954 0.000) 11.294 5.913 ( 46.255 45.731 0.000) 65.045 6.330 ( 25.894 25.166 0.000) 36.108 8.338 ( -34.703 -37.036 0.000) 50.754 9.069 ( 5.179 3.768 0.000) 6.405 10.291 ( -10.581 5.937 0.000) 12.133 12.289 ( -9.387 -10.849 0.000) 14.346 12.532 ( -11.515 -7.355 0.000) 13.664 14.394 ( 4.149 3.736 0.000) 5.583 15.146 ( -4.650 7.774 0.000) 9.059 16.118 ( 18.840 2.128 0.000) 18.960 18.102 ( -12.969 -8.334 0.000) 15.416 18.787 ( 3.270 1.761 0.000) 3.714 19.435 ( -8.678 -5.829 0.000) 10.454 23.726 ( 6.391 -1.593 0.000) 6.586 24.492 ( -4.922 -1.544 0.000) 5.159 ======================= Grid point 26 (14/189) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.685 ( 52.857 -23.603 0.000) 57.887 3.938 ( 28.653 14.146 0.000) 31.954 5.294 ( -14.933 -0.437 0.000) 14.939 6.415 ( -7.254 14.345 0.000) 16.075 6.949 ( 35.828 33.203 0.000) 48.847 7.783 ( -13.264 -26.868 0.000) 29.964 9.175 ( 5.492 3.264 0.000) 6.388 9.999 ( -17.234 10.220 0.000) 20.036 12.120 ( -6.593 -9.846 0.000) 11.850 12.293 ( -11.139 -6.011 0.000) 12.658 14.508 ( 6.805 6.139 0.000) 9.164 15.016 ( -7.641 9.707 0.000) 12.354 16.541 ( 21.696 -2.535 0.000) 21.843 17.796 ( -16.760 -7.645 0.000) 18.422 18.866 ( 4.482 0.845 0.000) 4.561 19.260 ( -8.180 -3.814 0.000) 9.026 23.876 ( 7.950 -4.082 0.000) 8.937 24.368 ( -6.971 -2.874 0.000) 7.540 ======================= Grid point 27 (15/189) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.485 ( 24.446 8.534 0.000) 25.893 4.778 ( 52.618 -26.162 0.000) 58.764 4.939 ( -19.659 3.728 0.000) 20.009 5.797 ( -44.568 -17.590 0.000) 47.913 7.554 ( 19.947 23.106 0.000) 30.525 7.736 ( 0.148 4.099 0.000) 4.102 9.326 ( 10.353 5.820 0.000) 11.876 9.624 ( -17.868 10.413 0.000) 20.681 12.041 ( -0.623 -7.810 0.000) 7.835 12.104 ( -6.581 -6.103 0.000) 8.976 14.666 ( 8.428 8.123 0.000) 11.705 14.845 ( -8.752 9.455 0.000) 12.884 16.990 ( 21.665 -5.066 0.000) 22.250 17.419 ( -19.814 -6.622 0.000) 20.891 18.971 ( 5.763 -0.413 0.000) 5.777 19.103 ( -7.049 -1.973 0.000) 7.320 24.044 ( 8.315 -4.859 0.000) 9.630 24.213 ( -7.985 -4.265 0.000) 9.053 ======================= Grid point 36 (16/189) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 18.249 18.249 0.000) 25.808 3.784 ( 23.370 23.370 0.000) 33.050 5.445 ( -6.832 -6.832 0.000) 9.662 6.759 ( 28.706 28.706 0.000) 40.596 6.873 ( 26.211 26.211 0.000) 37.067 7.563 ( -30.444 -30.444 0.000) 43.054 9.147 ( 3.647 3.647 0.000) 5.158 10.300 ( -5.011 -5.011 0.000) 7.087 12.078 ( -9.159 -9.159 0.000) 12.953 12.360 ( -9.139 -9.139 0.000) 12.924 14.502 ( 6.739 6.739 0.000) 9.530 15.255 ( 1.804 1.804 0.000) 2.551 16.231 ( 9.495 9.495 0.000) 13.427 17.890 ( -12.236 -12.236 0.000) 17.304 18.830 ( 2.449 2.449 0.000) 3.463 19.306 ( -6.464 -6.464 0.000) 9.142 23.735 ( 2.364 2.364 0.000) 3.343 24.416 ( -5.651 -5.651 0.000) 7.992 ======================= Grid point 37 (17/189) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 38.627 -8.066 0.000) 39.461 4.254 ( 21.989 16.037 0.000) 27.216 5.269 ( -10.414 -2.123 0.000) 10.628 6.328 ( -47.202 -26.911 0.000) 54.334 7.476 ( 26.951 13.838 0.000) 30.296 7.709 ( 24.526 26.836 0.000) 36.355 9.231 ( 5.268 1.908 0.000) 5.603 10.099 ( -13.981 -0.722 0.000) 14.000 11.932 ( -4.692 -7.721 0.000) 9.035 12.167 ( -9.381 -6.017 0.000) 11.145 14.665 ( 9.019 9.092 0.000) 12.807 15.213 ( -5.350 8.532 0.000) 10.071 16.504 ( 16.414 -0.334 0.000) 16.418 17.603 ( -15.634 -11.061 0.000) 19.151 18.889 ( 3.275 1.326 0.000) 3.533 19.177 ( -6.030 -4.144 0.000) 7.317 23.816 ( 5.303 -1.627 0.000) 5.547 24.274 ( -7.831 -6.064 0.000) 9.904 ======================= Grid point 38 (18/189) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.256 ( 48.548 -23.550 0.000) 53.958 4.674 ( 18.611 9.359 0.000) 20.831 5.014 ( -14.491 3.308 0.000) 14.864 5.294 ( -51.559 -29.904 0.000) 59.603 7.924 ( 15.488 15.062 0.000) 21.604 8.046 ( 5.299 22.231 0.000) 22.854 9.414 ( 13.519 1.976 0.000) 13.663 9.758 ( -18.191 1.907 0.000) 18.291 11.899 ( 1.625 -5.314 0.000) 5.556 11.992 ( -7.056 -4.282 0.000) 8.253 14.863 ( 9.925 10.742 0.000) 14.625 15.060 ( -8.967 11.007 0.000) 14.197 16.873 ( 18.769 -6.059 0.000) 19.723 17.255 ( -18.064 -9.193 0.000) 20.268 18.965 ( 4.203 -0.158 0.000) 4.206 19.061 ( -5.162 -1.997 0.000) 5.535 23.946 ( 7.241 -4.454 0.000) 8.501 24.106 ( -8.195 -5.842 0.000) 10.064 ======================= Grid point 48 (19/189) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( 13.084 13.084 0.000) 18.503 4.576 ( 14.902 14.902 0.000) 21.075 5.199 ( -4.883 -4.883 0.000) 6.906 5.545 ( -43.812 -43.812 0.000) 61.959 7.866 ( 21.608 21.608 0.000) 30.558 8.250 ( 21.284 21.284 0.000) 30.100 9.262 ( 2.129 2.129 0.000) 3.012 9.977 ( -10.644 -10.644 0.000) 15.054 11.827 ( -2.232 -2.232 0.000) 3.156 12.047 ( -5.696 -5.696 0.000) 8.055 14.872 ( 10.729 10.729 0.000) 15.174 15.324 ( 1.459 1.459 0.000) 2.064 16.560 ( 6.313 6.313 0.000) 8.928 17.347 ( -13.702 -13.702 0.000) 19.378 18.921 ( 1.878 1.878 0.000) 2.656 19.095 ( -3.761 -3.761 0.000) 5.319 23.813 ( 1.377 1.377 0.000) 1.947 24.132 ( -7.359 -7.359 0.000) 10.407 ======================= Grid point 49 (20/189) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.865 ( 31.744 -13.004 0.000) 34.304 4.642 ( -42.411 -31.713 0.000) 52.956 4.854 ( 11.976 7.936 0.000) 14.367 5.064 ( -8.362 1.300 0.000) 8.462 8.274 ( 16.566 18.014 0.000) 24.473 8.475 ( -0.694 18.717 0.000) 18.730 9.392 ( 11.755 -3.790 0.000) 12.351 9.696 ( -15.697 -7.555 0.000) 17.420 11.839 ( 3.070 -0.593 0.000) 3.126 11.932 ( -5.437 -1.906 0.000) 5.762 15.091 ( 10.196 11.025 0.000) 15.018 15.268 ( -6.359 8.362 0.000) 10.505 16.762 ( 12.716 -4.054 0.000) 13.346 17.051 ( -14.754 -10.315 0.000) 18.002 18.966 ( 2.489 0.256 0.000) 2.502 19.024 ( -3.135 -1.630 0.000) 3.533 23.872 ( 4.327 -2.543 0.000) 5.019 23.986 ( -6.583 -5.578 0.000) 8.629 ======================= Grid point 60 (21/189) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.774 ( 4.927 4.927 0.000) 6.967 4.066 ( -22.596 -22.596 0.000) 31.955 4.990 ( 5.097 5.097 0.000) 7.208 5.060 ( -1.744 -1.744 0.000) 2.466 8.618 ( 14.050 14.050 0.000) 19.870 8.747 ( 4.575 4.575 0.000) 6.471 9.327 ( 0.928 0.928 0.000) 1.312 9.485 ( -11.502 -11.502 0.000) 16.267 11.858 ( 1.907 1.907 0.000) 2.697 11.898 ( -1.715 -1.715 0.000) 2.426 15.290 ( 7.503 7.503 0.000) 10.610 15.367 ( 0.562 0.562 0.000) 0.795 16.737 ( 2.207 2.207 0.000) 3.122 16.852 ( -8.388 -8.388 0.000) 11.863 18.976 ( 0.705 0.705 0.000) 0.998 18.995 ( -1.163 -1.163 0.000) 1.644 23.849 ( 0.417 0.417 0.000) 0.590 23.890 ( -3.503 -3.503 0.000) 4.954 ======================= Grid point 121 (22/189) ======================= q-point: ( 0.00 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 0.000 0.000 46.489) 46.489 0.955 ( -0.000 -0.000 46.489) 46.489 1.900 ( -0.000 -0.000 92.491) 92.491 4.654 ( 0.000 0.000 13.989) 13.989 6.338 ( -0.000 -0.000 27.273) 27.273 8.637 ( 0.000 -0.000 0.534) 0.534 8.637 ( -0.000 -0.000 0.534) 0.534 10.322 ( -0.000 0.000 -9.520) 9.520 10.322 ( 0.000 -0.000 -9.520) 9.520 13.109 ( 0.000 0.000 -4.335) 4.335 15.275 ( 0.000 0.000 15.204) 15.204 15.275 ( 0.000 0.000 15.204) 15.204 18.574 ( 0.000 -0.000 -4.970) 4.970 18.574 ( 0.000 0.000 -4.970) 4.970 18.741 ( 0.000 0.000 4.342) 4.342 20.052 ( 0.000 0.000 3.396) 3.396 22.523 ( 0.000 0.000 -2.392) 2.392 24.473 ( 0.000 0.000 -3.021) 3.021 ======================= Grid point 122 (23/189) ======================= q-point: ( 0.09 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 30.807 0.000 30.338) 43.238 1.541 ( 45.979 0.000 26.434) 53.036 2.453 ( 44.903 0.000 73.206) 85.880 4.828 ( 16.276 0.000 12.654) 20.616 6.295 ( -4.131 0.000 27.534) 27.842 8.673 ( 3.412 0.000 0.450) 3.442 10.068 ( 42.491 0.000 -43.962) 61.140 10.219 ( -10.014 0.000 -9.092) 13.525 10.384 ( 37.013 0.000 -52.205) 63.995 13.050 ( -5.725 0.000 -4.648) 7.374 15.252 ( -2.190 0.000 15.246) 15.403 15.286 ( -0.115 0.000 16.299) 16.299 17.044 ( -76.990 0.000 70.922) 104.677 18.471 ( -7.990 0.000 -9.108) 12.116 18.808 ( 4.500 0.000 8.350) 9.485 20.106 ( -3.401 0.000 12.061) 12.531 23.063 ( 25.541 0.000 -29.275) 38.851 24.466 ( -0.674 0.000 -3.085) 3.158 ======================= Grid point 123 (24/189) ======================= q-point: ( 0.18 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 43.466 0.000 13.717) 45.579 2.580 ( 52.745 0.000 11.702) 54.028 3.505 ( 54.959 0.000 52.042) 75.689 5.274 ( 25.708 0.000 9.615) 27.447 6.167 ( -8.338 0.000 28.300) 29.503 8.769 ( 5.726 0.000 0.146) 5.728 9.915 ( -19.482 0.000 -7.873) 21.013 10.008 ( -12.603 0.000 -8.582) 15.247 11.446 ( 35.411 0.000 -76.765) 84.539 12.880 ( -10.634 0.000 -5.423) 11.937 15.160 ( -13.706 0.000 32.836) 35.582 15.185 ( -4.301 0.000 15.253) 15.848 16.168 ( -11.492 0.000 42.301) 43.834 18.278 ( -10.577 0.000 -14.441) 17.900 18.896 ( 4.067 0.000 13.534) 14.132 19.961 ( -9.540 0.000 15.752) 18.415 23.441 ( 14.104 0.000 -21.031) 25.322 24.444 ( -1.527 0.000 -3.310) 3.646 ======================= Grid point 124 (25/189) ======================= q-point: ( 0.27 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 42.356 0.000 11.736) 43.952 3.653 ( 50.757 0.000 3.587) 50.884 4.653 ( 55.866 0.000 35.442) 66.160 5.814 ( 25.095 0.000 6.505) 25.924 5.954 ( -12.365 0.000 29.629) 32.106 8.889 ( 5.012 0.000 -0.327) 5.022 9.429 ( -27.243 0.000 -6.149) 27.928 9.699 ( -16.663 0.000 -9.064) 18.969 11.900 ( 11.947 0.000 -48.929) 50.367 12.628 ( -13.335 0.000 -6.383) 14.784 14.865 ( -11.619 0.000 36.127) 37.949 15.078 ( -5.987 0.000 15.115) 16.258 16.252 ( 13.326 0.000 11.606) 17.672 18.036 ( -13.035 0.000 -17.233) 21.607 18.979 ( 4.100 0.000 16.709) 17.204 19.746 ( -10.887 0.000 16.229) 19.542 23.698 ( 11.354 0.000 -14.496) 18.414 24.401 ( -2.671 0.000 -3.785) 4.632 ======================= Grid point 125 (26/189) ======================= q-point: ( 0.36 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( 37.053 0.000 14.306) 39.719 4.609 ( 39.524 0.000 -2.725) 39.617 5.682 ( -12.224 0.000 32.013) 34.267 5.751 ( 47.732 0.000 23.151) 53.050 6.247 ( 17.699 0.000 3.990) 18.143 8.699 ( -32.881 0.000 -0.592) 32.887 9.060 ( 0.494 0.000 -4.392) 4.419 9.369 ( -14.160 0.000 -9.098) 16.830 12.030 ( 2.518 0.000 -28.122) 28.235 12.359 ( -12.181 0.000 -7.587) 14.350 14.718 ( -3.029 0.000 26.842) 27.012 14.946 ( -6.690 0.000 15.163) 16.573 16.596 ( 18.916 0.000 -1.096) 18.948 17.741 ( -15.767 0.000 -16.877) 23.096 19.071 ( 4.984 0.000 17.767) 18.453 19.528 ( -10.035 0.000 16.455) 19.274 23.913 ( 9.577 0.000 -10.502) 14.213 24.332 ( -4.126 0.000 -4.620) 6.194 ======================= Grid point 126 (27/189) ======================= q-point: ( 0.45 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.467 ( 29.591 0.000 15.762) 33.528 4.941 ( -12.183 0.000 8.093) 14.626 5.740 ( 21.341 0.000 18.720) 28.388 6.121 ( -8.834 0.000 10.600) 13.798 6.950 ( 47.105 0.000 7.597) 47.714 7.893 ( -43.434 0.000 2.738) 43.520 9.098 ( 1.788 0.000 -5.682) 5.957 9.162 ( -5.741 0.000 -7.884) 9.752 12.065 ( 2.125 0.000 -15.835) 15.977 12.155 ( -7.155 0.000 -9.983) 12.282 14.721 ( 2.825 0.000 19.771) 19.972 14.814 ( -5.836 0.000 16.282) 17.297 16.997 ( 19.707 0.000 -8.730) 21.554 17.390 ( -18.277 0.000 -13.877) 22.948 19.188 ( 6.479 0.000 17.548) 18.706 19.339 ( -8.298 0.000 16.937) 18.861 24.091 ( 7.714 0.000 -7.815) 10.981 24.230 ( -5.843 0.000 -5.924) 8.321 ======================= Grid point 133 (28/189) ======================= q-point: ( 0.09 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 16.628 16.628 31.579) 39.373 1.835 ( 29.375 29.375 30.526) 51.552 3.028 ( 45.090 45.090 50.464) 81.319 4.995 ( 15.783 15.783 11.546) 25.130 6.258 ( -3.689 -3.689 27.882) 28.366 8.737 ( 4.446 4.446 0.195) 6.291 9.949 ( -15.390 -15.390 -8.303) 23.295 10.330 ( 0.261 0.261 -9.325) 9.332 10.831 ( 41.559 41.559 -90.245) 107.696 12.993 ( -5.545 -5.545 -4.946) 9.271 15.208 ( -5.442 -5.442 19.584) 21.042 15.296 ( 1.018 1.018 15.470) 15.537 16.499 ( -34.543 -34.543 67.264) 83.132 18.602 ( 1.323 1.323 -5.032) 5.369 18.649 ( -4.773 -4.773 5.211) 8.528 20.060 ( -5.023 -5.023 14.416) 16.071 23.209 ( 10.715 10.715 -24.963) 29.202 24.490 ( 1.206 1.206 -4.236) 4.566 ======================= Grid point 134 (29/189) ======================= q-point: ( 0.18 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 41.950 -5.027 14.961) 44.821 2.590 ( 41.396 12.563 28.961) 52.060 4.055 ( 52.321 41.748 31.291) 73.888 5.432 ( 25.242 14.839 8.666) 30.536 6.144 ( -7.293 -2.214 28.952) 29.938 8.834 ( 4.979 5.305 -0.153) 7.277 9.538 ( -23.857 -24.175 -8.093) 34.916 10.238 ( -8.650 9.154 -8.766) 15.345 11.550 ( 25.261 8.895 -69.718) 74.685 12.827 ( -10.339 -5.043 -5.695) 12.836 15.018 ( -12.068 -9.039 31.394) 34.827 15.278 ( -3.550 4.720 17.548) 18.516 16.093 ( -3.368 -5.141 34.443) 34.987 18.358 ( -13.493 5.819 -7.945) 16.705 18.786 ( 6.734 -9.039 7.336) 13.449 19.907 ( -9.302 -5.052 15.627) 18.875 23.434 ( 10.992 0.397 -17.647) 20.795 24.489 ( -1.408 2.915 -4.178) 5.286 ======================= Grid point 135 (30/189) ======================= q-point: ( 0.27 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 45.132 -6.761 5.027) 45.912 3.479 ( 44.679 -2.755 25.621) 51.578 5.103 ( 47.101 32.743 18.043) 60.134 5.952 ( 13.237 9.735 13.733) 21.414 5.983 ( 3.553 7.194 23.282) 24.625 8.875 ( -11.628 -10.464 -2.032) 15.775 9.054 ( -12.233 -15.255 -5.519) 20.318 9.986 ( -15.473 15.064 -8.068) 23.053 11.887 ( 9.004 -1.327 -44.838) 45.753 12.582 ( -13.102 -4.435 -6.633) 15.341 14.798 ( -7.879 -4.539 31.347) 32.639 15.168 ( -6.585 6.984 17.193) 19.691 16.235 ( 13.814 -1.358 10.508) 17.409 18.070 ( -14.706 2.468 -12.578) 19.508 18.910 ( 5.542 -5.989 11.908) 14.435 19.699 ( -10.506 -4.354 15.473) 19.203 23.658 ( 10.731 -2.834 -12.696) 16.863 24.437 ( -3.566 2.354 -4.007) 5.858 ======================= Grid point 136 (31/189) ======================= q-point: ( 0.36 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( 38.366 -0.408 7.818) 39.156 4.399 ( 43.298 -13.262 14.069) 47.419 5.546 ( -7.818 -3.140 23.683) 25.137 6.158 ( 20.618 21.845 18.387) 35.219 6.427 ( 26.850 19.568 5.521) 33.680 8.343 ( -28.332 -27.386 -2.631) 39.492 9.078 ( 3.819 2.667 -3.249) 5.679 9.631 ( -18.034 17.155 -7.607) 26.027 11.982 ( 1.705 -4.522 -26.384) 26.823 12.314 ( -12.218 -4.141 -7.796) 15.073 14.712 ( -0.699 0.173 24.121) 24.132 15.021 ( -7.454 6.640 16.241) 19.063 16.582 ( 18.930 -1.310 -0.683) 18.988 17.748 ( -16.692 0.369 -13.597) 21.532 19.023 ( 5.706 -4.260 14.130) 15.823 19.489 ( -9.765 -3.694 15.178) 18.422 23.870 ( 9.851 -3.473 -9.406) 14.056 24.345 ( -5.330 0.624 -4.417) 6.951 ======================= Grid point 137 (32/189) ======================= q-point: ( 0.45 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.496 ( 29.334 2.135 12.730) 32.049 4.939 ( -6.415 -0.613 7.004) 9.517 5.544 ( 24.307 -14.943 23.762) 37.132 6.110 ( -20.306 -2.858 10.575) 23.073 7.156 ( 35.633 17.467 5.844) 40.112 7.790 ( -26.844 -7.208 1.636) 27.843 9.155 ( 4.330 5.149 -5.158) 8.477 9.309 ( -11.831 12.126 -6.890) 18.289 12.011 ( 2.252 -5.010 -15.409) 16.359 12.107 ( -7.477 -4.467 -10.057) 13.304 14.753 ( 4.298 3.319 18.793) 19.561 14.871 ( -6.843 5.366 16.465) 18.620 16.985 ( 19.862 -1.262 -7.432) 21.244 17.384 ( -18.731 -0.779 -11.681) 22.089 19.150 ( 6.742 -3.472 14.877) 16.698 19.303 ( -8.248 -3.345 15.041) 17.477 24.059 ( 8.508 -2.799 -7.079) 11.417 24.218 ( -6.962 -1.296 -5.441) 8.930 ======================= Grid point 145 (33/189) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 18.838 18.838 18.440) 32.400 3.051 ( 28.747 28.747 29.974) 50.510 4.971 ( 44.238 44.238 14.403) 64.199 5.846 ( 24.244 24.244 6.184) 34.839 6.088 ( -2.325 -2.325 31.423) 31.595 8.950 ( 5.276 5.276 -0.560) 7.483 8.960 ( -31.455 -31.455 -7.694) 45.144 10.326 ( -0.791 -0.791 -8.606) 8.679 11.738 ( 7.907 7.907 -52.838) 54.008 12.677 ( -9.368 -9.368 -6.405) 14.715 14.834 ( -7.764 -7.764 31.357) 33.223 15.354 ( 1.710 1.710 15.978) 16.160 16.050 ( 2.499 2.499 20.113) 20.422 18.363 ( -9.017 -9.017 4.198) 13.426 18.677 ( 2.204 2.204 -5.199) 6.061 19.765 ( -8.423 -8.423 14.808) 19.004 23.488 ( 4.890 4.890 -12.981) 14.708 24.514 ( -0.853 -0.853 -4.125) 4.298 ======================= Grid point 146 (34/189) ======================= q-point: ( 0.27 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 39.349 -5.079 9.924) 40.897 3.688 ( 32.135 18.560 30.796) 48.223 5.616 ( 8.462 9.877 9.921) 16.358 6.232 ( 23.922 27.709 26.549) 45.221 6.366 ( 25.180 24.037 4.322) 35.078 8.272 ( -33.557 -36.852 -5.610) 50.156 9.055 ( 4.756 4.028 -1.233) 6.354 10.211 ( -10.120 6.143 -7.825) 14.191 11.844 ( 2.416 -2.787 -35.283) 35.475 12.453 ( -12.070 -7.809 -7.333) 16.138 14.731 ( -1.998 -1.375 25.847) 25.961 15.324 ( -4.439 7.428 16.640) 18.755 16.215 ( 12.991 0.167 7.848) 15.178 18.082 ( -16.055 -2.828 -1.665) 16.387 18.788 ( 6.539 -4.189 0.357) 7.774 19.577 ( -9.482 -7.191 13.377) 17.905 23.623 ( 7.918 -0.034 -9.636) 12.472 24.455 ( -4.689 -1.104 -3.556) 5.988 ======================= Grid point 147 (35/189) ======================= q-point: ( 0.36 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( 44.664 -14.099 0.952) 46.846 4.346 ( 31.721 8.176 30.783) 44.952 5.505 ( -12.472 -1.786 19.740) 23.418 6.510 ( -8.783 12.473 8.511) 17.469 7.007 ( 34.180 32.130 6.917) 47.418 7.744 ( -11.836 -27.273 -2.793) 29.862 9.149 ( 4.751 3.719 -2.373) 6.483 9.928 ( -16.731 10.569 -6.805) 20.927 11.860 ( -0.026 -6.810 -22.304) 23.320 12.201 ( -11.883 -6.436 -8.438) 15.932 14.749 ( 3.542 3.763 20.392) 21.036 15.193 ( -7.708 9.633 16.471) 20.579 16.546 ( 18.325 -2.024 0.235) 18.438 17.732 ( -17.956 -2.683 -5.638) 19.011 18.923 ( 6.543 -4.735 5.179) 9.594 19.386 ( -8.978 -6.029 11.768) 15.982 23.800 ( 9.063 -2.873 -7.192) 11.922 24.332 ( -7.113 -2.260 -3.495) 8.241 ======================= Grid point 148 (36/189) ======================= q-point: ( 0.45 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.478 ( 35.030 -7.020 0.260) 35.728 4.908 ( 8.051 -1.075 12.165) 14.628 5.286 ( 7.208 -8.008 29.310) 31.228 5.946 ( -38.178 -13.494 15.396) 43.321 7.571 ( 18.194 21.441 2.179) 28.204 7.724 ( 1.331 2.723 -0.616) 3.093 9.283 ( 9.481 6.478 -4.029) 12.169 9.565 ( -17.225 11.000 -5.594) 21.189 11.880 ( 2.725 -7.072 -14.425) 16.295 11.990 ( -8.119 -6.270 -10.338) 14.563 14.862 ( 7.053 7.243 17.305) 20.041 15.024 ( -8.413 9.248 16.309) 20.550 16.942 ( 19.854 -2.949 -4.209) 20.508 17.347 ( -19.361 -3.054 -6.242) 20.570 19.060 ( 6.964 -4.791 8.123) 11.723 19.212 ( -7.903 -5.192 10.105) 13.839 23.988 ( 9.121 -3.871 -5.367) 11.269 24.170 ( -8.481 -3.464 -4.116) 10.043 ======================= Grid point 157 (37/189) ======================= q-point: ( 0.27 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 16.722 16.722 11.130) 26.137 4.130 ( 23.148 23.148 30.712) 44.887 5.623 ( -5.290 -5.290 16.470) 18.089 6.879 ( 24.925 24.925 0.623) 35.254 6.923 ( 28.315 28.315 16.271) 43.223 7.492 ( -32.609 -32.609 -5.773) 46.476 9.135 ( 3.582 3.582 -1.126) 5.189 10.227 ( -4.568 -4.568 -7.170) 9.651 11.779 ( -3.263 -3.263 -25.390) 25.806 12.271 ( -9.692 -9.692 -8.312) 16.031 14.753 ( 3.529 3.529 20.922) 21.509 15.431 ( 1.964 1.964 16.492) 16.725 16.281 ( 7.124 7.124 3.972) 10.830 17.923 ( -12.213 -12.213 3.557) 17.634 18.773 ( 2.365 2.365 -5.470) 6.411 19.417 ( -8.104 -8.104 10.451) 15.510 23.661 ( 3.599 3.599 -6.967) 8.629 24.387 ( -5.279 -5.279 -2.733) 7.951 ======================= Grid point 158 (38/189) ======================= q-point: ( 0.36 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( 34.335 -5.669 5.765) 35.274 4.602 ( 22.151 14.698 30.498) 40.457 5.442 ( -12.511 -5.211 15.069) 20.267 6.444 ( -42.861 -23.113 12.556) 50.288 7.468 ( 25.098 10.072 -0.769) 27.054 7.687 ( 24.890 27.870 -1.048) 37.381 9.213 ( 4.849 2.275 -1.578) 5.584 10.036 ( -13.393 -0.317 -6.102) 14.721 11.728 ( -1.107 -5.316 -18.036) 18.835 12.066 ( -10.018 -6.517 -9.395) 15.202 14.868 ( 7.448 7.706 17.740) 20.726 15.391 ( -5.388 8.709 16.521) 19.438 16.515 ( 15.012 -0.324 0.720) 15.032 17.617 ( -16.873 -8.672 1.507) 19.031 18.855 ( 5.087 -1.494 -3.090) 6.137 19.253 ( -7.719 -6.622 7.235) 12.481 23.764 ( 6.230 -0.528 -4.900) 7.943 24.250 ( -7.779 -5.503 -2.305) 9.803 ======================= Grid point 159 (39/189) ======================= q-point: ( 0.45 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.194 ( 40.921 -17.383 -1.842) 44.498 4.896 ( -13.105 -5.292 4.362) 14.791 5.184 ( 4.960 -2.160 29.770) 30.257 5.635 ( -32.001 -12.777 30.540) 46.044 7.895 ( 15.048 13.502 -2.681) 20.394 8.016 ( 4.944 20.711 -2.496) 21.439 9.383 ( 12.643 2.494 -2.888) 13.206 9.709 ( -17.396 2.320 -4.679) 18.163 11.752 ( 3.617 -4.697 -13.401) 14.654 11.875 ( -8.084 -4.493 -10.821) 14.235 15.045 ( 9.374 10.318 16.373) 21.504 15.237 ( -8.934 11.035 16.210) 21.549 16.865 ( 18.387 -4.438 -0.738) 18.929 17.249 ( -18.629 -6.641 -0.480) 19.783 18.971 ( 6.054 -3.615 0.580) 7.075 19.103 ( -6.875 -5.154 3.981) 9.470 23.910 ( 7.870 -3.498 -3.415) 9.264 24.080 ( -8.499 -5.071 -2.531) 10.215 ======================= Grid point 169 (40/189) ======================= q-point: ( 0.36 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 12.096 12.096 6.343) 18.244 4.889 ( 10.305 10.305 24.238) 28.282 5.232 ( -16.053 -16.053 7.641) 23.954 5.857 ( -25.745 -25.745 29.568) 46.902 7.826 ( 20.646 20.646 -3.878) 29.454 8.203 ( 19.766 19.766 -4.002) 28.238 9.250 ( 2.198 2.198 -1.118) 3.304 9.923 ( -10.132 -10.132 -5.170) 15.232 11.664 ( -0.624 -0.624 -14.753) 14.779 11.936 ( -6.168 -6.168 -10.360) 13.543 15.056 ( 10.190 10.190 16.460) 21.877 15.507 ( 1.619 1.619 17.060) 17.213 16.568 ( 6.341 6.341 0.587) 8.987 17.383 ( -13.594 -13.594 3.699) 19.578 18.861 ( 1.791 1.791 -5.818) 6.345 19.122 ( -6.027 -6.027 2.629) 8.920 23.781 ( 2.196 2.196 -3.028) 4.337 24.117 ( -7.084 -7.084 -1.464) 10.124 ======================= Grid point 170 (41/189) ======================= q-point: ( 0.45 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.883 ( 28.152 -10.783 2.359) 30.239 4.547 ( -33.783 -24.321 -4.266) 41.845 5.244 ( 11.739 5.872 35.026) 37.405 5.492 ( -12.791 -3.014 36.561) 38.851 8.218 ( 15.978 16.853 -5.393) 23.841 8.411 ( -0.724 17.092 -5.954) 18.114 9.371 ( 10.803 -3.236 -1.929) 11.441 9.655 ( -14.893 -7.096 -3.846) 16.940 11.702 ( 4.027 -0.145 -12.580) 13.210 11.810 ( -6.000 -2.077 -11.285) 12.949 15.270 ( 10.204 11.104 16.307) 22.211 15.450 ( -6.560 8.756 16.810) 20.057 16.777 ( 13.301 -3.386 1.375) 13.794 17.080 ( -15.403 -9.447 2.828) 18.289 18.919 ( 3.712 -1.373 -4.473) 5.972 19.009 ( -4.974 -3.932 -1.387) 6.490 23.853 ( 4.796 -1.854 -1.790) 5.445 23.973 ( -6.677 -5.076 -1.264) 8.482 ======================= Grid point 181 (42/189) ======================= q-point: ( 0.45 0.45 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.811 ( 4.553 4.553 3.625) 7.389 4.069 ( -19.638 -19.638 0.939) 27.788 5.361 ( 4.990 4.990 34.723) 35.433 5.441 ( -2.813 -2.813 35.298) 35.521 8.539 ( 12.923 12.923 -7.681) 19.824 8.655 ( 3.983 3.983 -8.759) 10.414 9.318 ( 0.969 0.969 -0.905) 1.643 9.458 ( -10.511 -10.511 -2.452) 15.066 11.729 ( 2.178 2.178 -12.010) 12.399 11.773 ( -1.886 -1.886 -11.639) 11.940 15.474 ( 7.853 7.853 16.998) 20.305 15.555 ( 0.635 0.635 17.505) 17.528 16.762 ( 2.628 2.628 2.272) 4.356 16.885 ( -8.668 -8.668 3.211) 12.672 18.913 ( 0.667 0.667 -6.083) 6.156 18.944 ( -2.359 -2.359 -4.879) 5.910 23.840 ( 0.721 0.721 -0.823) 1.311 23.883 ( -3.387 -3.387 -0.649) 4.834 ======================= Grid point 242 (43/189) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.000 0.000 44.760) 44.760 1.887 ( 0.000 0.000 44.760) 44.760 3.755 ( -0.000 -0.000 89.163) 89.163 5.061 ( 0.000 0.000 25.435) 25.435 7.101 ( 0.000 0.000 45.788) 45.788 8.661 ( 0.000 0.000 2.089) 2.089 8.661 ( 0.000 0.000 2.089) 2.089 10.038 ( -0.000 0.000 -18.153) 18.153 10.038 ( -0.000 -0.000 -18.153) 18.153 12.977 ( -0.000 -0.000 -8.656) 8.656 15.702 ( 0.000 0.000 25.708) 25.708 15.702 ( 0.000 0.000 25.708) 25.708 18.430 ( 0.000 0.000 -8.950) 8.950 18.430 ( 0.000 0.000 -8.950) 8.950 18.864 ( -0.000 -0.000 7.404) 7.404 20.155 ( 0.000 0.000 6.606) 6.606 22.447 ( -0.000 -0.000 -5.055) 5.055 24.381 ( 0.000 0.000 -5.972) 5.972 ======================= Grid point 243 (44/189) ======================= q-point: ( 0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 13.715 0.000 39.837) 42.131 2.198 ( 28.036 0.000 35.896) 45.547 4.071 ( 28.258 0.000 82.307) 87.023 5.199 ( 13.006 0.000 23.373) 26.748 7.059 ( -4.072 0.000 45.376) 45.559 8.695 ( 3.211 0.000 2.021) 3.794 9.254 ( 47.821 0.000 -21.445) 52.409 9.950 ( -8.527 0.000 -16.951) 18.975 9.963 ( -7.191 0.000 -18.330) 19.690 12.911 ( -6.353 0.000 -8.963) 10.986 15.678 ( -2.405 0.000 25.416) 25.529 15.718 ( 1.312 0.000 25.559) 25.593 17.737 ( -49.932 0.000 11.224) 51.178 18.267 ( -12.708 0.000 -10.795) 16.674 18.987 ( 9.011 0.000 9.147) 12.840 20.349 ( 8.005 0.000 11.079) 13.668 22.617 ( 14.803 0.000 -16.038) 21.825 24.372 ( -0.848 0.000 -6.068) 6.127 ======================= Grid point 244 (45/189) ======================= q-point: ( 0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 31.769 0.000 26.161) 41.154 2.928 ( 40.777 0.000 21.748) 46.214 4.793 ( 39.614 0.000 70.381) 80.763 5.562 ( 21.164 0.000 18.361) 28.018 6.932 ( -8.380 0.000 44.046) 44.836 8.784 ( 5.147 0.000 1.610) 5.393 9.691 ( -16.620 0.000 -13.365) 21.327 9.746 ( -13.371 0.000 -17.340) 21.897 10.246 ( 43.461 0.000 -41.060) 59.789 12.724 ( -11.588 0.000 -9.726) 15.129 15.602 ( -5.010 0.000 24.284) 24.795 15.725 ( -2.296 0.000 27.144) 27.241 16.833 ( -33.044 0.000 19.833) 38.539 17.980 ( -14.552 0.000 -14.412) 20.481 19.170 ( 8.346 0.000 13.025) 15.470 20.355 ( -5.927 0.000 20.935) 21.758 22.969 ( 17.938 0.000 -23.266) 29.378 24.344 ( -1.958 0.000 -6.407) 6.700 ======================= Grid point 245 (46/189) ======================= q-point: ( 0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( 40.543 0.000 16.200) 43.660 3.804 ( 43.201 0.000 11.325) 44.660 5.636 ( 41.646 0.000 58.112) 71.494 6.012 ( 21.036 0.000 12.782) 24.615 6.713 ( -12.895 0.000 41.311) 43.277 8.890 ( 4.645 0.000 0.606) 4.685 9.273 ( -23.826 0.000 -7.508) 24.981 9.429 ( -16.595 0.000 -17.002) 23.759 10.979 ( 27.967 0.000 -38.643) 47.702 12.451 ( -14.400 0.000 -10.655) 17.913 15.475 ( -7.107 0.000 22.052) 23.169 15.554 ( -13.485 0.000 30.789) 33.613 16.480 ( -2.502 0.000 9.413) 9.740 17.683 ( -14.245 0.000 -16.183) 21.559 19.326 ( 6.960 0.000 16.597) 17.997 20.175 ( -10.422 0.000 24.041) 26.203 23.322 ( 16.099 0.000 -21.069) 26.516 24.289 ( -3.499 0.000 -7.124) 7.937 ======================= Grid point 246 (47/189) ======================= q-point: ( 0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.086 ( 39.637 0.000 14.248) 42.120 4.643 ( 36.422 0.000 5.746) 36.872 6.339 ( 10.502 0.000 12.342) 16.205 6.414 ( -15.346 0.000 35.803) 38.953 6.491 ( 39.620 0.000 40.937) 56.970 8.713 ( -29.786 0.000 3.245) 29.962 8.963 ( 1.376 0.000 -3.689) 3.937 9.113 ( -12.732 0.000 -15.189) 19.819 11.423 ( 16.193 0.000 -29.127) 33.326 12.156 ( -13.802 0.000 -11.818) 18.170 15.291 ( -10.134 0.000 26.213) 28.104 15.323 ( -7.276 0.000 19.474) 20.788 16.584 ( 9.919 0.000 1.245) 9.997 17.395 ( -13.911 0.000 -14.906) 20.388 19.462 ( 6.502 0.000 19.318) 20.383 19.958 ( -10.251 0.000 23.931) 26.034 23.625 ( 13.379 0.000 -16.936) 21.584 24.197 ( -5.504 0.000 -8.399) 10.041 ======================= Grid point 247 (48/189) ======================= q-point: ( 0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.816 ( 29.551 0.000 16.194) 33.697 5.133 ( 4.852 0.000 10.204) 11.299 6.198 ( -0.548 0.000 21.762) 21.768 6.352 ( -7.934 0.000 9.255) 12.190 7.297 ( 38.099 0.000 28.812) 47.767 8.047 ( -34.720 0.000 14.676) 37.695 8.953 ( -2.652 0.000 -11.406) 11.711 8.958 ( -1.422 0.000 -6.902) 7.047 11.686 ( 10.592 0.000 -19.952) 22.589 11.900 ( -11.036 0.000 -14.293) 18.058 15.167 ( -1.911 0.000 20.713) 20.801 15.198 ( -4.361 0.000 18.435) 18.944 16.829 ( 13.198 0.000 -5.354) 14.242 17.109 ( -13.872 0.000 -10.990) 17.698 19.601 ( 7.178 0.000 21.314) 22.491 19.763 ( -8.671 0.000 22.835) 24.426 23.871 ( 10.572 0.000 -13.244) 16.946 24.060 ( -7.900 0.000 -10.400) 13.061 ======================= Grid point 254 (49/189) ======================= q-point: ( 0.09 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 9.902 9.902 38.987) 41.426 2.451 ( 24.506 24.506 30.770) 46.345 4.367 ( 26.416 26.416 74.817) 83.625 5.335 ( 12.745 12.745 21.412) 27.988 7.023 ( -3.582 -3.582 44.904) 45.189 8.751 ( 3.997 3.997 1.472) 5.842 9.646 ( 29.602 29.602 -33.557) 53.652 9.708 ( -11.472 -11.472 -14.963) 22.070 10.051 ( 0.563 0.563 -17.783) 17.801 12.847 ( -6.159 -6.159 -9.272) 12.722 15.654 ( -2.868 -2.868 25.009) 25.335 15.728 ( 1.173 1.173 25.741) 25.794 17.253 ( -33.260 -33.260 14.020) 49.082 18.456 ( 1.256 1.256 -9.014) 9.187 18.820 ( -4.827 -4.827 10.771) 12.752 20.390 ( 0.539 0.539 16.325) 16.343 22.737 ( 10.843 10.843 -20.018) 25.216 24.382 ( 0.495 0.495 -6.514) 6.551 ======================= Grid point 255 (50/189) ======================= q-point: ( 0.18 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 26.768 0.826 28.782) 39.314 3.119 ( 38.166 18.584 23.306) 48.427 5.041 ( 36.834 22.121 61.759) 75.235 5.691 ( 20.812 12.161 16.568) 29.250 6.911 ( -7.277 -2.019 43.212) 43.868 8.840 ( 4.495 4.610 0.973) 6.511 9.310 ( -21.756 -23.125 -13.113) 34.351 9.978 ( -7.471 8.747 -16.557) 20.160 10.410 ( 35.138 14.613 -41.173) 56.066 12.665 ( -11.284 -5.644 -10.045) 16.127 15.552 ( -7.148 -5.079 24.885) 26.384 15.743 ( -0.927 1.943 26.467) 26.554 16.646 ( -21.940 -13.975 16.144) 30.615 18.181 ( -18.825 15.939 -9.046) 26.273 18.965 ( 11.020 -18.091 9.920) 23.391 20.311 ( -7.718 -4.673 22.139) 23.907 23.013 ( 14.937 4.475 -21.812) 26.812 24.375 ( -1.349 2.255 -6.855) 7.342 ======================= Grid point 256 (51/189) ======================= q-point: ( 0.27 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 38.064 -6.801 16.507) 42.043 3.943 ( 40.667 13.360 18.777) 46.742 5.803 ( 35.189 14.133 49.330) 62.221 6.132 ( 20.458 11.409 11.099) 25.920 6.737 ( -8.472 2.805 39.439) 40.436 8.805 ( -22.239 -25.036 -4.109) 33.738 8.950 ( 1.498 0.966 -2.975) 3.468 9.750 ( -14.256 15.216 -14.610) 25.460 11.019 ( 23.802 3.634 -37.386) 44.469 12.399 ( -14.154 -5.035 -10.985) 18.610 15.372 ( -9.458 -6.698 24.300) 26.923 15.642 ( -8.614 5.694 26.971) 28.880 16.437 ( 0.763 -3.464 8.267) 8.996 17.805 ( -17.471 10.537 -12.255) 23.800 19.173 ( 9.111 -13.986 13.160) 21.256 20.111 ( -10.887 -6.072 23.276) 26.404 23.323 ( 14.806 0.582 -18.998) 24.093 24.322 ( -3.854 2.457 -7.101) 8.444 ======================= Grid point 257 (52/189) ======================= q-point: ( 0.36 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( 39.998 -9.533 10.123) 42.347 4.729 ( 33.894 8.348 15.688) 38.270 6.206 ( -3.144 -8.418 37.383) 38.448 6.449 ( 7.306 8.662 9.373) 14.706 6.817 ( 24.461 20.559 31.902) 45.152 8.325 ( -21.733 -26.008 3.571) 34.081 9.001 ( 1.632 3.530 -3.725) 5.385 9.421 ( -16.706 18.312 -12.026) 27.551 11.401 ( 14.156 -2.048 -28.270) 31.683 12.106 ( -13.780 -4.692 -12.129) 18.948 15.211 ( -5.235 -3.098 21.767) 22.601 15.444 ( -9.643 7.494 22.934) 25.982 16.578 ( 10.925 -0.624 1.520) 11.048 17.463 ( -15.966 6.076 -12.437) 21.131 19.345 ( 7.902 -10.851 16.227) 21.059 19.887 ( -10.599 -6.698 22.264) 25.551 23.611 ( 13.174 -0.939 -15.235) 20.163 24.218 ( -6.312 1.443 -7.886) 10.203 ======================= Grid point 258 (53/189) ======================= q-point: ( 0.45 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.744 ( 32.411 -7.220 10.346) 34.780 5.151 ( -0.269 1.203 12.331) 12.392 6.108 ( 4.732 -6.880 26.078) 27.382 6.377 ( -13.122 1.749 13.587) 18.970 7.420 ( 28.586 10.655 22.181) 37.719 7.917 ( -20.037 -9.303 13.567) 25.924 9.023 ( 1.590 6.204 -6.970) 9.466 9.130 ( -9.979 13.800 -9.351) 19.428 11.639 ( 10.007 -4.428 -19.746) 22.575 11.849 ( -11.117 -4.763 -14.479) 18.865 15.175 ( 1.669 1.971 19.360) 19.531 15.269 ( -7.013 5.766 19.703) 21.694 16.841 ( 14.129 1.029 -4.452) 14.850 17.144 ( -15.189 3.064 -9.454) 18.151 19.507 ( 8.063 -8.790 18.630) 22.121 19.683 ( -9.213 -7.493 20.598) 23.776 23.860 ( 11.027 -0.903 -11.952) 16.287 24.063 ( -8.703 0.083 -9.482) 12.871 ======================= Grid point 266 (54/189) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 13.736 13.736 28.549) 34.532 3.645 ( 30.922 30.922 24.732) 50.240 5.593 ( 28.893 28.893 46.769) 62.104 6.033 ( 20.157 20.157 12.069) 30.956 6.856 ( -2.784 -2.784 39.757) 39.951 8.780 ( -27.781 -27.781 -7.384) 39.977 8.942 ( 4.709 4.709 0.032) 6.660 10.069 ( -0.019 -0.019 -16.398) 16.398 10.770 ( 18.471 18.471 -39.485) 47.344 12.498 ( -10.347 -10.347 -10.879) 18.233 15.404 ( -8.494 -8.494 24.809) 27.564 15.792 ( 1.880 1.880 25.764) 25.901 16.401 ( -7.943 -7.943 11.679) 16.205 18.513 ( -9.695 -9.695 10.278) 17.135 18.527 ( 2.077 2.077 -9.192) 9.649 20.160 ( -9.638 -9.638 22.420) 26.238 23.153 ( 8.935 8.935 -18.506) 22.408 24.401 ( -0.344 -0.344 -6.864) 6.881 ======================= Grid point 267 (55/189) ======================= q-point: ( 0.27 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 28.944 -1.192 20.061) 35.237 4.323 ( 33.712 22.532 26.688) 48.544 6.077 ( 12.741 8.646 36.385) 39.509 6.460 ( 19.308 19.783 6.922) 28.497 6.878 ( 9.163 12.596 29.344) 33.222 8.203 ( -26.766 -31.033 3.618) 41.141 9.029 ( 3.585 4.361 -1.091) 5.750 9.979 ( -8.586 6.603 -14.702) 18.261 11.110 ( 14.016 4.800 -33.775) 36.881 12.253 ( -13.165 -8.902 -11.936) 19.876 15.247 ( -5.787 -4.747 22.457) 23.672 15.770 ( -4.666 6.603 25.516) 26.766 16.367 ( 4.799 -2.823 6.650) 8.674 18.040 ( -22.416 10.042 -2.636) 24.703 18.819 ( 12.906 -17.989 3.112) 22.358 19.937 ( -11.618 -10.504 20.496) 25.795 23.365 ( 11.250 3.702 -14.820) 18.971 24.353 ( -4.293 -0.111 -6.360) 7.674 ======================= Grid point 268 (56/189) ======================= q-point: ( 0.36 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( 37.107 -11.048 10.189) 40.035 4.966 ( 26.344 13.718 25.545) 39.176 6.045 ( -10.790 -8.211 30.442) 33.325 6.687 ( -1.484 13.119 8.462) 15.682 7.264 ( 23.478 21.347 15.012) 35.104 7.801 ( -8.630 -22.239 15.393) 28.389 9.091 ( 2.776 4.678 -3.028) 6.226 9.732 ( -14.755 11.144 -11.963) 22.023 11.345 ( 9.326 -3.132 -26.055) 27.850 11.976 ( -13.319 -7.562 -13.109) 20.160 15.190 ( 0.449 1.326 19.771) 19.821 15.619 ( -9.136 9.530 23.133) 26.635 16.559 ( 12.801 -1.163 2.314) 13.060 17.605 ( -19.996 6.494 -5.795) 21.808 19.059 ( 10.671 -15.604 7.688) 20.407 19.698 ( -11.346 -11.181 17.626) 23.758 23.603 ( 11.709 0.357 -11.538) 16.442 24.230 ( -7.471 -0.681 -6.319) 9.808 ======================= Grid point 269 (57/189) ======================= q-point: ( 0.45 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.524 ( 36.511 -13.593 4.286) 39.194 5.133 ( -16.660 -4.672 8.269) 19.177 5.993 ( 13.663 -2.818 35.292) 37.950 6.407 ( -21.090 1.034 26.698) 34.039 7.675 ( 13.960 12.357 8.393) 20.445 7.792 ( 1.353 -0.239 11.948) 12.027 9.179 ( 7.156 7.922 -5.595) 12.053 9.413 ( -14.934 12.023 -8.589) 21.009 11.522 ( 8.657 -6.302 -19.318) 22.087 11.722 ( -11.084 -6.961 -15.122) 20.000 15.261 ( 6.137 6.465 18.917) 20.912 15.425 ( -9.261 9.337 20.382) 24.256 16.862 ( 16.204 0.692 -1.978) 16.339 17.215 ( -18.075 3.201 -5.184) 19.075 19.268 ( 9.929 -13.577 11.340) 20.285 19.475 ( -10.397 -12.135 14.547) 21.610 23.838 ( 11.077 -1.175 -8.940) 14.284 24.053 ( -9.675 -1.309 -7.168) 12.112 ======================= Grid point 278 (58/189) ======================= q-point: ( 0.27 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 13.067 13.067 19.271) 26.699 4.819 ( 24.390 24.390 30.841) 46.270 6.084 ( -7.417 -7.417 27.917) 29.823 6.902 ( 21.215 21.215 1.816) 30.058 7.211 ( 12.596 12.596 1.610) 17.886 7.621 ( -18.317 -18.317 31.488) 40.774 9.109 ( 3.327 3.327 -1.204) 4.857 10.013 ( -3.239 -3.239 -13.615) 14.365 11.203 ( 4.145 4.145 -28.635) 29.229 12.045 ( -10.980 -10.980 -13.292) 20.440 15.201 ( 0.553 0.553 20.010) 20.025 15.877 ( 2.198 2.198 25.892) 26.078 16.358 ( 3.386 3.386 3.764) 6.090 18.049 ( -12.588 -12.588 8.870) 19.890 18.616 ( 2.154 2.154 -9.552) 10.026 19.699 ( -12.195 -12.195 16.121) 23.608 23.473 ( 6.658 6.658 -10.836) 14.356 24.307 ( -4.360 -4.360 -5.157) 8.038 ======================= Grid point 279 (59/189) ======================= q-point: ( 0.36 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 26.597 -3.425 12.714) 29.678 5.221 ( 8.297 7.552 21.197) 23.983 5.856 ( -8.389 -8.246 27.658) 30.056 6.853 ( -21.680 -2.125 24.918) 33.097 7.449 ( 21.119 3.293 -0.196) 21.376 7.784 ( 16.718 18.738 15.353) 29.433 9.174 ( 3.705 3.103 -2.064) 5.255 9.857 ( -11.403 0.792 -11.260) 16.045 11.289 ( 4.621 -1.849 -23.316) 23.842 11.813 ( -11.364 -7.928 -14.699) 20.200 15.271 ( 6.108 6.501 18.806) 20.814 15.825 ( -6.612 9.801 24.175) 26.911 16.535 ( 13.111 -0.743 2.229) 13.320 17.670 ( -20.828 -1.764 3.644) 21.218 18.776 ( 10.150 -9.950 -4.171) 14.813 19.449 ( -11.944 -12.616 11.199) 20.670 23.630 ( 8.496 2.329 -7.758) 11.739 24.181 ( -7.563 -4.034 -4.391) 9.631 ======================= Grid point 280 (60/189) ======================= q-point: ( 0.45 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.223 ( 33.839 -14.539 4.497) 37.103 4.911 ( -30.572 -16.615 0.150) 34.796 6.022 ( 18.189 5.111 45.508) 49.274 6.421 ( -20.053 0.467 42.978) 47.428 7.838 ( 14.867 8.490 -1.511) 17.187 7.991 ( 1.358 13.805 2.413) 14.080 9.307 ( 10.166 3.718 -4.263) 11.634 9.577 ( -14.762 3.329 -7.900) 17.071 11.409 ( 7.311 -4.070 -19.021) 20.780 11.590 ( -10.116 -5.435 -16.316) 19.952 15.437 ( 9.620 10.480 19.481) 24.123 15.645 ( -10.078 11.865 21.535) 26.573 16.858 ( 17.694 -1.246 1.083) 17.771 17.247 ( -19.972 -0.746 0.851) 20.004 18.991 ( 10.578 -12.363 1.398) 16.331 19.212 ( -11.091 -12.778 6.307) 18.058 23.815 ( 9.349 -0.983 -5.653) 10.969 24.007 ( -9.145 -3.042 -4.524) 10.647 ======================= Grid point 290 (61/189) ======================= q-point: ( 0.36 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( 9.547 9.547 11.977) 18.048 5.060 ( -22.177 -22.177 -0.865) 31.375 5.891 ( 11.046 11.046 46.528) 49.080 6.665 ( -11.655 -11.655 47.007) 49.813 7.715 ( 17.790 17.790 -6.816) 26.066 8.138 ( 13.296 13.296 -0.047) 18.804 9.221 ( 2.256 2.256 -1.579) 3.560 9.773 ( -8.406 -8.406 -9.367) 15.135 11.288 ( 2.023 2.023 -20.810) 21.005 11.656 ( -7.391 -7.391 -16.370) 19.422 15.448 ( 10.351 10.351 19.362) 24.273 15.964 ( 1.914 1.914 26.324) 26.463 16.577 ( 6.538 6.538 0.648) 9.269 17.503 ( -13.714 -13.714 8.055) 21.001 18.695 ( 1.556 1.556 -10.105) 10.342 19.196 ( -11.763 -11.763 4.333) 17.190 23.698 ( 4.235 4.235 -4.841) 7.702 24.072 ( -6.299 -6.299 -2.947) 9.383 ======================= Grid point 291 (62/189) ======================= q-point: ( 0.45 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( 21.974 -8.201 6.995) 24.476 4.509 ( -28.357 -20.794 0.389) 35.166 6.161 ( 13.543 7.491 51.536) 53.810 6.424 ( -12.030 -0.465 52.390) 53.756 8.066 ( 14.839 12.733 -8.933) 21.497 8.260 ( -2.380 11.468 -7.606) 13.965 9.321 ( 8.403 -1.834 -2.892) 9.074 9.548 ( -12.348 -5.573 -6.382) 14.976 11.371 ( 5.737 0.311 -18.948) 19.800 11.507 ( -7.153 -2.839 -17.670) 19.273 15.677 ( 11.398 12.363 21.304) 27.141 15.888 ( -8.191 10.710 24.169) 27.675 16.816 ( 15.499 -2.217 2.765) 15.899 17.166 ( -17.712 -7.104 5.765) 19.936 18.795 ( 7.265 -6.216 -7.341) 12.054 18.973 ( -9.865 -10.143 -2.014) 14.291 23.803 ( 5.892 -0.103 -3.061) 6.640 23.935 ( -6.805 -3.755 -2.446) 8.149 ======================= Grid point 302 (63/189) ======================= q-point: ( 0.45 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( 3.572 3.572 7.600) 9.126 4.124 ( -15.273 -15.273 4.687) 22.102 6.302 ( 5.820 5.820 54.733) 55.349 6.391 ( -2.873 -2.873 55.423) 55.572 8.314 ( 10.025 10.025 -14.009) 19.931 8.411 ( 1.775 1.775 -14.325) 14.543 9.292 ( 1.002 1.002 -1.620) 2.152 9.394 ( -7.899 -7.899 -3.674) 11.760 11.405 ( 2.527 2.527 -18.906) 19.240 11.457 ( -2.346 -2.346 -18.573) 18.867 15.915 ( 9.799 9.799 24.396) 28.057 16.022 ( 0.780 0.780 26.780) 26.802 16.819 ( 3.974 3.974 3.072) 6.405 16.978 ( -10.035 -10.035 5.882) 15.362 18.739 ( 0.561 0.561 -10.555) 10.585 18.807 ( -5.844 -5.844 -8.209) 11.648 23.816 ( 1.457 1.457 -1.601) 2.610 23.863 ( -3.051 -3.051 -1.407) 4.539 ======================= Grid point 363 (64/189) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 0.000 0.000 41.575) 41.575 2.769 ( -0.000 -0.000 41.575) 41.575 5.520 ( -0.000 -0.000 83.754) 83.754 5.667 ( -0.000 -0.000 33.370) 33.370 8.132 ( 0.000 0.000 53.870) 53.870 8.730 ( 0.000 -0.000 4.901) 4.901 8.730 ( 0.000 0.000 4.901) 4.901 9.594 ( 0.000 0.000 -25.110) 25.110 9.594 ( 0.000 -0.000 -25.110) 25.110 12.757 ( 0.000 0.000 -12.963) 12.963 16.274 ( -0.000 -0.000 29.161) 29.161 16.274 ( 0.000 0.000 29.161) 29.161 18.222 ( 0.000 0.000 -10.995) 10.995 18.222 ( -0.000 0.000 -10.995) 10.995 19.029 ( -0.000 -0.000 8.536) 8.536 20.318 ( -0.000 -0.000 9.323) 9.323 22.315 ( 0.000 0.000 -7.955) 7.955 24.230 ( -0.000 -0.000 -8.821) 8.821 ======================= Grid point 364 (65/189) ======================= q-point: ( 0.09 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 6.300 0.000 39.234) 39.737 2.949 ( 16.962 0.000 36.899) 40.611 5.737 ( 19.681 0.000 78.964) 81.379 5.760 ( 9.167 0.000 32.381) 33.654 8.052 ( -7.690 0.000 48.911) 49.512 8.767 ( 3.250 0.000 5.497) 6.386 9.019 ( 25.623 0.000 -4.454) 26.007 9.526 ( -6.383 0.000 -24.380) 25.202 9.556 ( -3.669 0.000 -20.132) 20.464 12.686 ( -6.792 0.000 -13.114) 14.769 16.236 ( -3.827 0.000 27.982) 28.243 16.285 ( 0.923 0.000 28.800) 28.815 17.786 ( -34.966 0.000 -3.207) 35.113 18.040 ( -14.723 0.000 -11.053) 18.410 19.175 ( 11.419 0.000 9.089) 14.595 20.564 ( 16.407 0.000 10.337) 19.391 22.340 ( 3.721 0.000 -12.304) 12.854 24.220 ( -1.041 0.000 -8.904) 8.965 ======================= Grid point 365 (66/189) ======================= q-point: ( 0.18 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 19.170 0.000 30.753) 36.239 3.431 ( 29.007 0.000 26.708) 39.430 6.009 ( 14.835 0.000 25.185) 29.230 6.271 ( 29.994 0.000 72.991) 78.914 7.822 ( -14.614 0.000 38.027) 40.738 8.844 ( 3.689 0.000 4.051) 5.479 9.311 ( -11.221 0.000 -23.819) 26.330 9.445 ( -7.014 0.000 -6.274) 9.411 9.680 ( 32.886 0.000 -17.758) 37.374 12.487 ( -12.230 0.000 -13.463) 18.189 16.109 ( -8.678 0.000 23.543) 25.092 16.291 ( -1.764 0.000 27.380) 27.437 17.050 ( -32.054 0.000 4.365) 32.349 17.717 ( -15.389 0.000 -10.394) 18.570 19.419 ( 11.542 0.000 11.250) 16.117 20.762 ( 1.303 0.000 18.559) 18.604 22.524 ( 14.376 0.000 -20.425) 24.977 24.185 ( -2.438 0.000 -9.193) 9.511 ======================= Grid point 366 (67/189) ======================= q-point: ( 0.27 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( 32.107 0.000 19.371) 37.498 4.098 ( 34.888 0.000 16.814) 38.728 6.327 ( 14.728 0.000 17.853) 23.144 6.908 ( 30.988 0.000 64.185) 71.274 7.451 ( -21.422 0.000 25.314) 33.162 8.890 ( -0.240 0.000 -1.309) 1.331 9.038 ( -13.783 0.000 -20.013) 24.300 9.277 ( -8.923 0.000 13.416) 16.112 10.341 ( 29.816 0.000 -24.647) 38.684 12.201 ( -15.078 0.000 -13.819) 20.453 15.885 ( -12.605 0.000 15.458) 19.946 16.075 ( -19.838 0.000 17.523) 26.469 16.673 ( -3.432 0.000 12.743) 13.197 17.436 ( -11.760 0.000 -6.082) 13.240 19.637 ( 9.763 0.000 13.687) 16.812 20.661 ( -9.261 0.000 22.578) 24.403 22.881 ( 18.818 0.000 -21.577) 28.630 24.115 ( -4.431 0.000 -9.808) 10.762 ======================= Grid point 367 (68/189) ======================= q-point: ( 0.36 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( 37.752 0.000 11.543) 39.477 4.816 ( 33.395 0.000 10.403) 34.978 6.540 ( 4.061 0.000 10.235) 11.012 6.954 ( -26.322 0.000 13.373) 29.524 7.514 ( 27.596 0.000 51.838) 58.726 8.785 ( -10.683 0.000 0.208) 10.685 8.810 ( -6.743 0.000 -11.398) 13.243 9.107 ( -7.336 0.000 24.543) 25.616 10.881 ( 22.630 0.000 -23.930) 32.935 11.888 ( -15.013 0.000 -14.341) 20.762 15.625 ( -11.781 0.000 7.388) 13.906 15.671 ( -16.558 0.000 9.186) 18.935 16.729 ( 6.091 0.000 14.606) 15.825 17.225 ( -9.162 0.000 0.405) 9.171 19.826 ( 8.855 0.000 15.937) 18.231 20.440 ( -11.386 0.000 22.157) 24.911 23.255 ( 17.133 0.000 -18.634) 25.314 23.998 ( -7.081 0.000 -10.929) 13.022 ======================= Grid point 368 (69/189) ======================= q-point: ( 0.45 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.082 ( 30.825 0.000 9.789) 32.342 5.342 ( 11.435 0.000 9.917) 15.136 6.464 ( -15.761 0.000 3.178) 16.078 6.467 ( -8.951 0.000 2.671) 9.341 8.038 ( 23.410 0.000 35.126) 42.212 8.473 ( -18.750 0.000 17.530) 25.668 8.799 ( 5.080 0.000 3.157) 5.982 8.952 ( -8.169 0.000 16.093) 18.048 11.279 ( 16.618 0.000 -19.773) 25.828 11.590 ( -14.288 0.000 -16.036) 21.478 15.441 ( -5.493 0.000 4.510) 7.108 15.442 ( -5.144 0.000 3.421) 6.178 16.878 ( 7.967 0.000 11.375) 13.887 17.047 ( -8.403 0.000 6.478) 10.610 20.010 ( 9.263 0.000 18.117) 20.348 20.213 ( -10.507 0.000 20.297) 22.855 23.574 ( 13.785 0.000 -15.357) 20.636 23.821 ( -10.277 0.000 -12.743) 16.370 ======================= Grid point 375 (70/189) ======================= q-point: ( 0.09 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 6.207 6.207 38.526) 39.514 3.097 ( 16.268 16.268 32.259) 39.622 5.851 ( 8.679 8.679 28.847) 31.350 5.933 ( 17.968 17.968 76.960) 81.047 7.969 ( -8.034 -8.034 43.231) 44.699 8.805 ( 3.294 3.294 4.041) 6.167 9.241 ( 17.339 17.339 -8.341) 25.900 9.384 ( -6.131 -6.131 -14.434) 16.838 9.617 ( 1.067 1.067 -24.534) 24.580 12.617 ( -6.617 -6.617 -13.281) 16.246 16.192 ( -4.610 -4.610 26.176) 26.975 16.296 ( 0.993 0.993 28.736) 28.770 17.336 ( -27.571 -27.571 -1.629) 39.026 18.249 ( 1.249 1.249 -10.911) 11.053 19.051 ( -3.717 -3.717 11.281) 12.446 20.700 ( 8.247 8.247 14.168) 18.351 22.381 ( 5.061 5.061 -15.744) 17.294 24.223 ( 0.073 0.073 -9.103) 9.103 ======================= Grid point 376 (71/189) ======================= q-point: ( 0.18 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 15.659 3.318 32.319) 36.066 3.590 ( 30.205 15.943 23.478) 41.446 6.097 ( 14.610 8.357 23.081) 28.566 6.412 ( 27.024 13.059 70.052) 76.211 7.726 ( -15.488 -9.379 29.542) 34.650 8.881 ( 3.449 3.243 2.674) 5.437 9.123 ( -12.465 -11.975 0.449) 17.291 9.583 ( -4.058 6.943 -20.565) 22.082 9.810 ( 29.000 12.143 -19.731) 37.118 12.423 ( -11.960 -6.163 -13.670) 19.181 16.030 ( -11.353 -7.904 19.713) 24.083 16.308 ( -1.087 1.633 27.623) 27.692 16.823 ( -19.739 -14.612 5.438) 25.154 17.999 ( -19.486 20.025 -8.473) 29.198 19.175 ( 11.879 -20.945 10.345) 26.208 20.753 ( -3.774 -2.482 20.560) 21.050 22.582 ( 14.293 6.015 -20.241) 25.498 24.210 ( -1.559 1.951 -9.354) 9.681 ======================= Grid point 377 (72/189) ======================= q-point: ( 0.27 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( 27.570 -3.387 21.877) 35.358 4.283 ( 35.948 16.626 15.600) 42.568 6.408 ( 14.071 7.708 15.834) 22.542 6.970 ( 23.944 4.645 61.222) 65.902 7.359 ( -17.355 -7.861 15.774) 24.735 8.831 ( -12.063 -9.115 7.667) 16.952 8.955 ( 0.008 1.205 4.003) 4.180 9.453 ( -8.315 10.831 -9.722) 16.762 10.391 ( 26.378 4.619 -24.575) 36.346 12.142 ( -14.847 -5.627 -14.067) 21.212 15.750 ( -14.492 -9.976 10.396) 20.436 16.154 ( -14.008 5.466 20.608) 25.511 16.632 ( 0.610 -2.977 14.309) 14.628 17.612 ( -16.769 15.068 -5.491) 23.203 19.426 ( 11.767 -19.250 11.411) 25.283 20.585 ( -11.200 -7.549 22.053) 25.860 22.923 ( 17.767 4.252 -19.493) 26.715 24.151 ( -4.297 2.856 -9.600) 10.898 ======================= Grid point 378 (73/189) ======================= q-point: ( 0.36 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.213 ( 34.502 -9.797 12.522) 37.989 5.003 ( 31.860 14.962 11.392) 36.996 6.559 ( -4.225 -0.360 6.423) 7.696 6.872 ( -15.257 -4.636 14.418) 21.498 7.576 ( 23.982 4.938 43.880) 50.250 8.594 ( -9.938 -9.049 20.202) 24.265 8.932 ( -2.548 5.233 -3.988) 7.055 9.261 ( -9.870 11.631 4.206) 15.824 10.872 ( 20.343 -0.892 -23.404) 31.022 11.833 ( -14.929 -5.268 -14.564) 21.511 15.500 ( -8.611 -5.402 4.910) 11.289 15.831 ( -15.764 9.271 12.365) 22.076 16.729 ( 7.200 0.060 14.945) 16.589 17.319 ( -12.135 8.553 0.145) 14.847 19.653 ( 10.467 -16.081 13.520) 23.472 20.336 ( -12.428 -9.886 20.592) 26.004 23.280 ( 16.564 2.481 -16.561) 23.554 24.031 ( -7.422 2.676 -10.235) 12.923 ======================= Grid point 379 (74/189) ======================= q-point: ( 0.45 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.923 ( 32.758 -12.277 7.646) 35.809 5.381 ( -3.387 -0.208 9.537) 10.123 6.382 ( 1.298 -0.497 2.046) 2.473 6.627 ( -14.062 9.270 8.290) 18.772 8.036 ( 20.245 -0.195 32.361) 38.172 8.383 ( -12.888 -5.750 26.201) 29.760 8.918 ( 3.253 8.588 0.816) 9.220 9.061 ( -9.241 9.626 9.457) 16.355 11.236 ( 15.601 -4.045 -19.458) 25.266 11.535 ( -14.126 -5.064 -16.075) 21.991 15.424 ( 1.389 1.670 3.351) 3.993 15.551 ( -10.601 7.386 5.899) 14.203 16.899 ( 9.046 1.964 11.446) 14.721 17.095 ( -10.040 4.444 6.320) 12.669 19.865 ( 10.440 -13.564 15.834) 23.317 20.089 ( -11.456 -11.633 18.265) 24.498 23.594 ( 13.823 1.825 -13.712) 19.556 23.845 ( -10.658 2.085 -11.568) 15.867 ======================= Grid point 387 (75/189) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 9.194 9.194 31.381) 33.968 4.067 ( 29.208 29.208 18.178) 45.129 6.336 ( 14.245 14.245 17.609) 26.756 6.756 ( 18.458 18.458 63.630) 68.777 7.450 ( -16.389 -16.389 11.335) 25.801 8.874 ( -11.826 -11.826 22.814) 28.288 8.959 ( 3.695 3.695 1.706) 5.497 9.670 ( 1.267 1.267 -22.274) 22.345 10.138 ( 18.390 18.390 -23.126) 34.802 12.242 ( -11.173 -11.173 -14.199) 21.244 15.800 ( -13.213 -13.213 11.307) 21.841 16.350 ( 1.639 1.639 27.730) 27.826 16.589 ( -7.494 -7.494 10.800) 15.131 18.318 ( 2.028 2.028 -10.716) 11.093 18.752 ( -10.057 -10.057 12.376) 18.854 20.619 ( -10.428 -10.428 21.449) 26.030 22.773 ( 12.107 12.107 -18.229) 25.009 24.237 ( 0.051 0.051 -9.244) 9.244 ======================= Grid point 388 (76/189) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 19.330 0.481 24.645) 31.326 4.728 ( 33.434 25.470 14.480) 44.455 6.628 ( 10.169 12.691 10.191) 19.191 6.903 ( -11.395 -14.374 22.543) 29.063 7.316 ( 13.462 7.380 31.595) 35.127 8.642 ( -10.532 -8.224 37.541) 39.848 9.021 ( 2.023 3.827 0.675) 4.381 9.633 ( -4.807 6.009 -18.046) 19.618 10.516 ( 17.649 7.150 -24.088) 30.706 11.979 ( -14.011 -10.012 -14.797) 22.705 15.553 ( -9.498 -7.965 5.600) 13.602 16.281 ( -8.996 7.100 22.308) 25.080 16.568 ( 5.171 -3.430 16.186) 17.334 17.973 ( -23.165 18.652 -3.533) 29.950 18.920 ( 14.891 -28.262 6.527) 32.605 20.356 ( -14.356 -14.252 19.404) 28.031 23.053 ( 14.608 8.164 -15.026) 22.491 24.199 ( -3.860 1.069 -8.723) 9.599 ======================= Grid point 389 (77/189) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.017 ( 28.092 -8.343 15.213) 33.018 5.330 ( 19.818 14.377 11.518) 27.057 6.415 ( -15.114 -10.870 2.018) 18.726 6.935 ( 4.715 10.256 11.203) 15.904 7.677 ( 17.964 4.234 35.182) 39.729 8.455 ( -7.468 -4.339 40.833) 41.737 9.043 ( 0.738 5.400 -0.859) 5.517 9.484 ( -9.283 8.850 -9.841) 16.166 10.847 ( 14.608 -1.305 -22.103) 26.526 11.683 ( -14.374 -8.848 -15.352) 22.816 15.442 ( -0.948 0.179 3.238) 3.379 16.036 ( -13.976 10.832 15.659) 23.619 16.728 ( 9.573 -0.461 15.648) 18.350 17.540 ( -18.402 11.969 0.690) 21.963 19.217 ( 13.798 -24.818 7.514) 29.373 20.054 ( -14.612 -16.820 16.233) 27.567 23.355 ( 14.506 4.673 -12.175) 19.506 24.079 ( -7.702 1.363 -8.429) 11.499 ======================= Grid point 390 (78/189) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.643 ( 31.783 -14.283 7.054) 35.552 5.252 ( -24.068 -12.158 3.982) 27.257 6.485 ( 18.437 10.355 10.710) 23.703 6.851 ( -13.005 12.594 13.016) 22.297 8.028 ( 15.853 -0.646 28.428) 32.556 8.297 ( -9.721 -2.410 32.864) 34.356 9.099 ( 5.746 8.347 0.181) 10.135 9.275 ( -10.364 9.573 -1.714) 14.212 11.127 ( 13.052 -6.009 -18.881) 23.727 11.397 ( -13.440 -7.864 -16.444) 22.647 15.516 ( 7.865 7.386 4.185) 11.573 15.743 ( -13.553 11.294 8.760) 19.697 16.948 ( 11.733 2.394 11.782) 16.799 17.211 ( -14.074 6.244 6.392) 16.671 19.491 ( 13.077 -21.735 9.978) 27.257 19.764 ( -13.637 -19.165 12.954) 26.852 23.640 ( 13.097 2.502 -10.086) 16.719 23.887 ( -10.809 1.581 -8.833) 14.048 ======================= Grid point 399 (79/189) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.615 ( 8.948 8.948 23.260) 26.479 5.259 ( 23.243 23.243 13.158) 35.406 6.481 ( -19.265 -19.265 1.869) 27.308 6.961 ( 15.508 15.508 4.216) 22.334 7.523 ( 10.398 10.398 39.731) 42.365 8.500 ( -5.577 -5.577 49.051) 49.681 9.090 ( 2.713 2.713 -0.662) 3.893 9.684 ( -1.109 -1.109 -18.147) 18.214 10.670 ( 7.595 7.595 -22.716) 25.127 11.746 ( -12.291 -12.291 -15.863) 23.533 15.456 ( -1.048 -1.048 3.247) 3.569 16.429 ( 2.148 2.148 26.870) 27.041 16.497 ( 1.282 1.282 11.515) 11.657 18.269 ( -13.021 -13.021 12.149) 22.062 18.403 ( 1.958 1.958 -10.717) 11.069 20.028 ( -17.039 -17.039 15.072) 28.423 23.245 ( 10.253 10.253 -10.908) 18.145 24.179 ( -3.141 -3.141 -7.383) 8.616 ======================= Grid point 400 (80/189) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.900 ( 18.633 -2.446 17.215) 25.485 5.413 ( -13.617 -9.819 2.192) 16.930 6.357 ( 12.725 9.379 13.144) 20.559 7.217 ( 6.100 16.269 4.687) 17.997 7.727 ( 10.873 0.164 37.416) 38.964 8.406 ( -4.220 -0.928 42.077) 42.298 9.138 ( 2.548 3.456 -1.182) 4.454 9.594 ( -7.233 1.579 -13.724) 15.594 10.830 ( 8.180 -0.034 -20.724) 22.280 11.488 ( -12.565 -9.783 -16.892) 23.215 15.517 ( 6.917 7.163 3.412) 10.525 16.280 ( -11.091 12.961 18.224) 24.962 16.696 ( 12.455 -2.919 15.583) 20.161 17.760 ( -24.009 7.480 5.253) 25.690 18.708 ( 15.817 -22.159 -1.932) 27.294 19.676 ( -16.898 -19.324 10.284) 27.654 23.465 ( 10.958 5.873 -8.079) 14.827 24.072 ( -7.006 -2.089 -6.274) 9.634 ======================= Grid point 401 (81/189) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.363 ( 25.894 -12.271 8.937) 30.016 4.929 ( -27.976 -17.988 1.740) 33.305 6.769 ( 21.673 16.302 21.063) 34.338 7.139 ( -12.637 15.127 18.783) 27.227 8.006 ( 14.996 -1.517 25.656) 29.756 8.273 ( -9.835 -0.399 28.241) 29.907 9.231 ( 7.014 3.973 -2.160) 8.346 9.412 ( -9.744 3.242 -7.098) 12.484 11.015 ( 9.945 -4.365 -18.920) 21.816 11.237 ( -11.652 -7.127 -17.751) 22.398 15.725 ( 12.789 12.847 6.562) 19.279 16.013 ( -14.333 14.766 12.281) 23.965 16.980 ( 15.104 0.220 12.345) 19.508 17.323 ( -18.681 3.881 7.873) 20.641 19.025 ( 15.166 -22.297 1.785) 27.025 19.340 ( -15.762 -21.144 5.759) 26.994 23.690 ( 10.756 2.210 -6.462) 12.741 23.900 ( -9.540 -0.416 -5.896) 11.223 ======================= Grid point 411 (82/189) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.937 ( 6.426 6.426 16.103) 18.490 5.035 ( -23.016 -23.016 -0.776) 32.558 6.704 ( 20.578 20.578 24.839) 38.260 7.561 ( 13.160 13.160 -7.908) 20.222 7.684 ( -1.059 -1.059 52.653) 52.675 8.383 ( -2.558 -2.558 28.876) 29.102 9.188 ( 2.075 2.075 -1.753) 3.419 9.552 ( -5.293 -5.293 -11.983) 14.129 10.861 ( 3.318 3.318 -20.054) 20.596 11.293 ( -9.019 -9.019 -18.787) 22.707 15.729 ( 13.055 13.055 5.861) 19.371 16.519 ( 2.081 2.081 26.661) 26.823 16.641 ( 5.379 5.379 6.846) 10.234 17.710 ( -13.948 -13.948 12.236) 23.213 18.471 ( 1.273 1.273 -11.097) 11.242 19.284 ( -18.435 -18.435 3.888) 26.359 23.593 ( 6.534 6.534 -5.271) 10.638 23.997 ( -5.099 -5.099 -4.517) 8.508 ======================= Grid point 412 (83/189) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.166 ( 15.599 -6.371 11.297) 20.287 4.559 ( -22.055 -17.029 4.513) 28.227 7.119 ( 18.753 16.960 32.032) 40.809 7.449 ( -12.968 13.986 33.938) 38.930 7.965 ( 16.704 -2.111 12.156) 20.767 8.254 ( -10.504 -2.181 15.677) 18.996 9.260 ( 5.505 -0.516 -2.875) 6.232 9.406 ( -7.988 -3.291 -7.189) 11.239 10.965 ( 6.534 -0.428 -20.149) 21.186 11.117 ( -8.110 -4.550 -19.993) 22.050 16.031 ( 15.649 16.429 10.801) 25.129 16.338 ( -13.352 16.277 17.274) 27.232 16.941 ( 17.650 -4.085 11.433) 21.423 17.329 ( -19.918 -4.308 10.858) 23.091 18.639 ( 12.258 -13.584 -7.333) 19.712 18.930 ( -15.815 -17.991 -2.108) 24.046 23.732 ( 6.931 1.982 -3.824) 8.161 23.873 ( -6.659 -2.037 -3.621) 7.849 ======================= Grid point 423 (84/189) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.121 ( 2.346 2.346 11.664) 12.127 4.263 ( -11.155 -11.155 8.916) 18.121 7.437 ( 13.217 13.217 46.950) 50.535 7.610 ( -1.354 -1.354 62.463) 62.492 7.988 ( 6.470 6.470 -17.529) 19.773 8.158 ( -7.413 -7.413 -2.187) 10.710 9.253 ( 0.927 0.927 -2.127) 2.499 9.314 ( -4.596 -4.596 -4.074) 7.671 10.987 ( 2.179 2.179 -21.621) 21.840 11.042 ( -3.077 -3.077 -21.702) 22.134 16.372 ( 15.779 15.779 17.542) 28.385 16.584 ( 0.893 0.893 26.827) 26.857 16.884 ( 4.933 4.933 3.486) 7.799 17.136 ( -13.549 -13.549 10.309) 21.759 18.506 ( 0.423 0.423 -11.518) 11.533 18.629 ( -10.864 -10.864 -8.724) 17.668 23.775 ( 2.245 2.245 -2.461) 4.017 23.824 ( -2.531 -2.531 -2.415) 4.318 ======================= Grid point 484 (85/189) ======================= q-point: ( 0.00 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.571 ( 0.000 0.000 36.858) 36.858 3.571 ( 0.000 0.000 36.858) 36.858 6.400 ( 0.000 0.000 38.109) 38.109 7.155 ( 0.000 0.000 76.370) 76.370 8.865 ( 0.000 -0.000 8.081) 8.081 8.865 ( -0.000 0.000 8.081) 8.081 9.032 ( 0.000 0.000 -29.396) 29.396 9.032 ( -0.000 0.000 -29.396) 29.396 9.240 ( 0.000 0.000 53.587) 53.587 12.449 ( -0.000 -0.000 -17.272) 17.272 16.836 ( 0.000 0.000 24.416) 24.416 16.836 ( 0.000 0.000 24.416) 24.416 18.007 ( 0.000 0.000 -9.051) 9.051 18.007 ( -0.000 0.000 -9.051) 9.051 19.200 ( 0.000 0.000 8.059) 8.059 20.526 ( 0.000 0.000 10.781) 10.781 22.126 ( 0.000 0.000 -10.290) 10.290 24.022 ( 0.000 0.000 -11.566) 11.566 ======================= Grid point 485 (86/189) ======================= q-point: ( 0.09 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 2.378 0.000 35.497) 35.577 3.676 ( 10.162 0.000 33.993) 35.479 6.447 ( 4.442 0.000 35.921) 36.195 7.312 ( 14.585 0.000 73.319) 74.756 8.673 ( -21.303 0.000 -2.917) 21.502 8.900 ( 0.305 0.000 3.940) 3.951 8.952 ( -1.633 0.000 -19.556) 19.624 9.049 ( 11.348 0.000 -4.891) 12.357 9.493 ( 13.953 0.000 31.757) 34.687 12.376 ( -6.906 0.000 -17.255) 18.586 16.752 ( -8.691 0.000 20.515) 22.280 16.833 ( -0.739 0.000 22.921) 22.933 17.691 ( -26.399 0.000 -3.978) 26.697 17.852 ( -12.104 0.000 -5.819) 13.430 19.350 ( 12.251 0.000 7.949) 14.604 20.778 ( 19.825 0.000 10.547) 22.456 22.090 ( -2.417 0.000 -12.308) 12.543 24.010 ( -1.161 0.000 -11.593) 11.651 ======================= Grid point 486 (87/189) ======================= q-point: ( 0.18 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.705 ( 9.890 0.000 30.238) 31.814 3.982 ( 19.450 0.000 26.714) 33.045 6.573 ( 7.436 0.000 29.659) 30.577 7.698 ( 20.997 0.000 63.775) 67.142 8.180 ( -26.196 0.000 -5.662) 26.801 8.834 ( -6.656 0.000 -20.379) 21.439 8.916 ( 0.551 0.000 4.603) 4.636 9.437 ( 23.009 0.000 -6.882) 24.016 9.735 ( 9.324 0.000 35.153) 36.368 12.175 ( -12.306 0.000 -17.129) 21.091 16.464 ( -19.047 0.000 8.919) 21.032 16.725 ( -15.138 0.000 9.878) 18.076 17.166 ( -16.726 0.000 12.694) 20.997 17.625 ( -8.669 0.000 3.201) 9.241 19.622 ( 13.235 0.000 8.631) 15.801 21.111 ( 7.829 0.000 15.913) 17.734 22.126 ( 8.913 0.000 -18.977) 20.966 23.971 ( -2.728 0.000 -11.681) 11.996 ======================= Grid point 487 (88/189) ======================= q-point: ( 0.27 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.025 ( 21.464 0.000 20.802) 29.890 4.459 ( 26.442 0.000 17.976) 31.974 6.722 ( 5.878 0.000 20.213) 21.051 7.603 ( -29.887 0.000 -8.284) 31.014 8.049 ( 9.639 0.000 31.695) 33.128 8.790 ( 5.941 0.000 11.442) 12.892 8.900 ( -2.697 0.000 3.211) 4.193 9.867 ( 3.433 0.000 40.794) 40.938 9.940 ( 25.124 0.000 -15.380) 29.458 11.889 ( -15.050 0.000 -16.779) 22.540 16.020 ( -22.544 0.000 -2.199) 22.651 16.214 ( -27.996 0.000 -1.256) 28.024 17.069 ( 1.717 0.000 23.747) 23.809 17.497 ( -4.434 0.000 11.552) 12.373 19.876 ( 11.438 0.000 9.629) 14.952 21.068 ( -9.291 0.000 16.897) 19.283 22.460 ( 20.810 0.000 -19.277) 28.366 23.893 ( -5.014 0.000 -11.874) 12.889 ======================= Grid point 488 (89/189) ======================= q-point: ( 0.36 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.570 ( 30.703 0.000 10.799) 32.547 5.037 ( 28.650 0.000 10.732) 30.594 6.740 ( -6.008 0.000 8.163) 10.136 6.962 ( -31.948 0.000 -9.561) 33.348 8.131 ( 3.367 0.000 0.932) 3.494 8.788 ( -8.381 0.000 1.264) 8.476 9.080 ( 18.669 0.000 45.762) 49.424 9.870 ( -3.309 0.000 45.621) 45.741 10.442 ( 23.302 0.000 -19.300) 30.257 11.574 ( -15.482 0.000 -16.468) 22.602 15.599 ( -17.084 0.000 -7.961) 18.848 15.701 ( -20.787 0.000 -3.787) 21.129 17.139 ( 4.495 0.000 23.167) 23.599 17.418 ( -3.662 0.000 16.353) 16.758 20.099 ( 10.511 0.000 10.626) 14.946 20.825 ( -13.046 0.000 14.995) 19.875 22.891 ( 20.092 0.000 -16.497) 25.997 23.760 ( -8.129 0.000 -12.285) 14.731 ======================= Grid point 489 (90/189) ======================= q-point: ( 0.45 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.226 ( 30.584 0.000 4.777) 30.955 5.522 ( 11.292 0.000 7.462) 13.535 6.381 ( -17.892 0.000 -9.443) 20.231 6.476 ( -16.888 0.000 -1.903) 16.995 8.292 ( 11.823 0.000 -1.350) 11.900 8.562 ( -13.083 0.000 -0.425) 13.090 9.452 ( 16.379 0.000 50.882) 53.453 9.729 ( -10.331 0.000 49.138) 50.212 10.884 ( 19.581 0.000 -18.899) 27.213 11.250 ( -16.366 0.000 -17.138) 23.697 15.360 ( -5.418 0.000 -8.995) 10.501 15.393 ( -8.601 0.000 -6.841) 10.990 17.239 ( 4.980 0.000 21.518) 22.087 17.337 ( -4.381 0.000 19.341) 19.831 20.318 ( 11.088 0.000 11.792) 16.186 20.560 ( -12.455 0.000 13.265) 18.196 23.266 ( 16.196 0.000 -14.427) 21.690 23.554 ( -11.961 0.000 -13.078) 17.723 ======================= Grid point 496 (91/189) ======================= q-point: ( 0.09 0.09 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.655 ( 3.884 3.884 34.818) 35.249 3.744 ( 9.472 9.472 30.733) 33.525 6.494 ( 4.467 4.467 33.852) 34.437 7.451 ( 13.006 13.006 70.448) 72.810 8.377 ( -21.408 -21.408 -7.590) 31.212 8.919 ( 2.030 2.030 6.675) 7.266 9.070 ( 2.145 2.145 -28.180) 28.343 9.163 ( 11.675 11.675 -1.875) 16.617 9.558 ( 6.903 6.903 37.475) 38.725 12.306 ( -6.766 -6.766 -17.256) 19.732 16.619 ( -13.134 -13.134 12.133) 22.186 16.843 ( 0.308 0.308 23.317) 23.322 17.335 ( -18.605 -18.605 5.541) 26.889 18.040 ( 1.538 1.538 -8.435) 8.711 19.266 ( -2.324 -2.324 9.712) 10.253 20.974 ( 14.048 14.048 12.785) 23.625 22.072 ( -0.242 -0.242 -14.841) 14.845 24.011 ( -0.133 -0.133 -11.676) 11.678 ======================= Grid point 497 (92/189) ======================= q-point: ( 0.18 0.09 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.763 ( 8.152 4.387 30.636) 32.004 4.072 ( 21.404 9.986 23.464) 33.293 6.620 ( 7.400 4.490 27.866) 29.180 7.769 ( 7.239 0.566 37.396) 38.095 7.920 ( -13.447 -13.653 16.815) 25.495 8.943 ( -0.329 2.556 -0.536) 2.632 9.023 ( -4.749 12.168 -15.888) 20.567 9.481 ( 17.533 3.082 -4.140) 18.276 9.750 ( 10.950 2.932 34.174) 36.005 12.108 ( -12.088 -6.407 -17.178) 21.960 16.230 ( -22.790 -18.382 -0.720) 29.288 16.789 ( -9.160 3.991 17.101) 19.806 17.056 ( -6.771 -6.762 19.044) 21.313 17.871 ( -13.480 17.245 -2.584) 22.041 19.374 ( 11.017 -20.428 9.028) 24.903 21.137 ( -0.939 -0.728 17.113) 17.155 22.186 ( 12.952 7.022 -18.779) 23.869 23.995 ( -1.654 1.877 -11.729) 11.992 ======================= Grid point 498 (93/189) ======================= q-point: ( 0.27 0.09 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.024 ( 17.573 -0.100 22.726) 28.727 4.595 ( 28.730 12.991 14.960) 34.899 6.761 ( 4.337 3.512 17.920) 18.769 7.332 ( -25.511 -21.305 -11.350) 35.122 8.164 ( 10.792 8.607 43.521) 45.657 8.905 ( -0.369 5.729 -2.329) 6.195 8.962 ( -1.149 8.830 7.777) 11.823 9.764 ( 7.649 -6.792 24.622) 26.662 10.044 ( 18.709 6.842 0.770) 19.936 11.827 ( -14.830 -5.964 -16.863) 23.235 15.771 ( -20.354 -15.062 -6.167) 26.061 16.422 ( -23.536 11.705 5.652) 26.886 17.047 ( 3.242 -1.834 23.543) 23.835 17.631 ( -8.887 12.037 7.972) 16.953 19.630 ( 12.748 -22.058 8.461) 26.845 20.975 ( -12.482 -9.415 15.571) 22.066 22.550 ( 20.261 8.420 -16.551) 27.484 23.934 ( -4.457 3.368 -11.639) 12.910 ======================= Grid point 499 (94/189) ======================= q-point: ( 0.36 0.09 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.479 ( 26.124 -6.782 13.300) 30.089 5.205 ( 28.721 13.797 8.613) 33.007 6.596 ( -21.471 -13.516 -5.088) 25.877 6.972 ( -9.276 2.590 2.325) 9.908 8.244 ( 1.134 9.460 8.225) 12.587 8.821 ( -8.262 3.123 1.224) 8.918 9.131 ( 15.342 4.428 38.997) 42.140 9.817 ( -1.736 -4.982 40.883) 41.222 10.459 ( 20.335 1.465 -15.462) 25.588 11.516 ( -15.246 -5.517 -16.440) 23.090 15.441 ( -10.920 -7.300 -8.381) 15.581 15.923 ( -23.200 13.731 -1.971) 27.031 17.140 ( 5.399 0.075 22.831) 23.461 17.489 ( -5.715 6.571 15.059) 17.396 19.884 ( 12.044 -19.765 8.971) 24.823 20.689 ( -14.520 -12.871 13.430) 23.598 22.961 ( 19.078 6.374 -14.198) 24.620 23.807 ( -7.986 3.996 -11.615) 14.652 ======================= Grid point 500 (95/189) ======================= q-point: ( 0.45 0.09 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.060 ( 29.116 -12.273 5.803) 32.126 5.532 ( -7.669 -4.271 5.264) 10.236 6.316 ( 6.463 2.950 -7.089) 10.037 6.685 ( -19.668 12.686 -1.373) 23.445 8.353 ( 9.905 5.688 1.016) 11.467 8.599 ( -12.548 3.583 0.477) 13.059 9.456 ( 14.724 0.158 47.052) 49.302 9.704 ( -9.061 -2.518 45.876) 46.830 10.855 ( 17.994 -2.746 -17.436) 25.206 11.200 ( -15.778 -4.773 -16.648) 23.429 15.347 ( 2.065 1.804 -8.579) 9.007 15.523 ( -14.756 9.601 -6.515) 18.771 17.258 ( 5.890 1.741 21.260) 22.129 17.376 ( -5.550 3.662 18.898) 20.034 20.132 ( 12.361 -17.316 10.056) 23.532 20.398 ( -13.617 -15.142 11.586) 23.429 23.320 ( 15.714 4.872 -12.731) 20.802 23.604 ( -11.846 4.258 -11.919) 17.335 ======================= Grid point 508 (96/189) ======================= q-point: ( 0.18 0.18 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( 5.681 5.681 29.533) 30.606 4.418 ( 23.016 23.016 16.487) 36.488 6.748 ( 7.562 7.562 22.649) 25.047 7.348 ( -26.598 -26.598 -14.908) 40.461 8.084 ( 14.734 14.734 64.398) 67.685 8.989 ( 1.445 1.445 -2.526) 3.249 9.206 ( 3.793 3.793 -18.922) 19.668 9.519 ( 2.038 2.038 18.240) 18.466 9.914 ( 12.376 12.376 16.220) 23.863 11.921 ( -11.496 -11.496 -17.254) 23.707 15.827 ( -19.034 -19.034 -6.247) 27.633 16.863 ( 0.728 0.728 20.797) 20.823 16.919 ( -4.922 -4.922 19.926) 21.107 18.124 ( 2.394 2.394 -7.026) 7.799 18.998 ( -9.711 -9.711 11.534) 17.934 21.000 ( -12.186 -12.186 15.298) 23.044 22.428 ( 15.553 15.553 -15.119) 26.690 24.025 ( 0.484 0.484 -11.504) 11.525 ======================= Grid point 509 (97/189) ======================= q-point: ( 0.27 0.18 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( 11.574 1.200 24.466) 27.092 4.968 ( 29.067 22.348 9.884) 37.974 6.750 ( -23.161 -16.272 -7.822) 29.367 6.959 ( 4.709 -1.903 8.484) 9.888 8.370 ( 10.780 11.090 53.774) 55.954 8.992 ( -1.120 3.858 -3.377) 5.248 9.184 ( -3.029 9.859 -3.084) 10.765 9.606 ( 5.091 -8.540 25.361) 27.240 10.200 ( 14.457 8.108 1.188) 16.618 11.653 ( -14.162 -10.675 -17.138) 24.662 15.498 ( -12.127 -10.520 -8.529) 18.179 16.641 ( -16.834 9.922 12.873) 23.400 16.994 ( 6.191 -3.709 21.985) 23.140 17.938 ( -14.728 16.585 1.601) 22.238 19.069 ( 12.047 -30.166 7.771) 33.399 20.687 ( -17.175 -17.861 12.381) 27.700 22.776 ( 17.454 12.680 -11.704) 24.544 23.999 ( -3.198 2.252 -10.800) 11.487 ======================= Grid point 510 (98/189) ======================= q-point: ( 0.36 0.18 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.346 ( 19.067 -5.522 16.545) 25.841 5.491 ( 14.524 9.826 5.115) 18.266 6.306 ( -11.071 -9.645 -9.767) 17.635 7.073 ( 1.994 6.827 5.183) 8.800 8.465 ( 0.038 11.353 24.438) 26.946 8.911 ( -7.821 5.416 1.783) 9.679 9.227 ( 8.448 3.952 23.932) 25.685 9.674 ( 0.774 -8.683 31.398) 32.586 10.492 ( 13.984 1.511 -8.941) 16.667 11.356 ( -14.439 -9.683 -16.620) 24.051 15.356 ( -1.260 -0.443 -9.333) 9.428 16.222 ( -22.691 15.195 2.705) 27.442 17.138 ( 7.668 -0.627 21.908) 23.220 17.669 ( -10.897 10.503 11.891) 19.247 19.354 ( 14.597 -30.089 5.772) 33.938 20.326 ( -17.536 -21.556 9.853) 29.483 23.126 ( 16.343 8.981 -10.010) 21.165 23.891 ( -7.358 3.395 -9.971) 12.849 ======================= Grid point 511 (99/189) ======================= q-point: ( 0.45 0.18 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.800 ( 24.523 -12.319 8.098) 28.613 5.312 ( -23.257 -15.001 2.089) 27.754 6.529 ( 23.197 15.670 -3.604) 28.225 6.950 ( -14.620 13.032 -0.698) 19.598 8.508 ( 6.109 8.881 8.882) 13.967 8.702 ( -11.260 6.156 4.011) 13.445 9.445 ( 10.720 -1.650 36.813) 38.377 9.622 ( -5.915 -5.609 36.882) 37.772 10.778 ( 13.903 -4.572 -14.090) 20.316 11.064 ( -14.028 -8.067 -15.775) 22.598 15.453 ( 10.564 8.700 -8.214) 15.961 15.772 ( -19.735 14.526 -4.453) 24.906 17.302 ( 8.245 2.246 20.681) 22.377 17.474 ( -8.620 5.537 17.805) 20.542 19.658 ( 15.038 -27.502 6.148) 31.942 19.978 ( -16.246 -24.646 7.676) 30.501 23.440 ( 14.111 6.177 -9.373) 18.031 23.700 ( -11.090 4.464 -9.419) 15.220 ======================= Grid point 520 (100/189) ======================= q-point: ( 0.27 0.27 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( 5.435 5.435 23.109) 24.354 5.430 ( 18.128 18.128 5.031) 26.126 6.328 ( -15.713 -15.713 -11.772) 25.147 7.084 ( 8.407 8.407 7.950) 14.303 8.589 ( 9.055 9.055 57.719) 59.123 9.053 ( 1.766 1.766 -5.600) 6.132 9.323 ( 1.436 1.436 -14.125) 14.271 9.440 ( -4.698 -4.698 35.236) 35.857 10.366 ( 7.813 7.813 -0.514) 11.061 11.405 ( -13.048 -13.048 -17.546) 25.463 15.367 ( -1.814 -1.814 -9.660) 9.995 16.802 ( -0.984 -0.984 16.350) 16.409 16.909 ( 1.547 1.547 18.399) 18.529 18.220 ( 2.110 2.110 -5.761) 6.488 18.528 ( -12.617 -12.617 12.993) 22.073 20.278 ( -21.161 -21.161 8.927) 31.229 23.046 ( 13.251 13.251 -8.375) 20.526 24.007 ( -1.729 -1.729 -9.429) 9.741 ======================= Grid point 521 (101/189) ======================= q-point: ( 0.36 0.27 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.268 ( 11.687 -1.737 18.371) 21.843 5.416 ( -17.511 -15.224 -0.840) 23.219 6.411 ( 21.238 17.961 -4.242) 28.136 7.237 ( 5.039 8.741 0.348) 10.095 8.688 ( 0.466 9.687 43.535) 44.603 9.031 ( -6.140 5.902 2.949) 9.013 9.267 ( 1.177 -0.273 12.436) 12.494 9.470 ( 2.565 -10.742 19.184) 22.135 10.518 ( 7.174 0.995 -5.412) 9.042 11.135 ( -12.898 -11.451 -17.590) 24.635 15.435 ( 8.448 8.176 -9.354) 15.024 16.546 ( -18.487 16.232 7.898) 25.838 17.094 ( 11.168 -4.182 19.896) 23.196 17.900 ( -18.276 11.353 9.162) 23.384 18.714 ( 16.094 -30.499 2.672) 34.589 19.842 ( -20.891 -24.711 5.604) 32.840 23.312 ( 12.548 8.921 -6.782) 16.824 23.927 ( -5.946 -0.058 -7.969) 9.943 ======================= Grid point 522 (102/189) ======================= q-point: ( 0.45 0.27 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.573 ( 17.815 -9.394 11.262) 23.075 4.985 ( -21.676 -15.817 3.720) 27.090 6.893 ( 21.929 18.784 -3.904) 29.137 7.218 ( -8.340 12.917 -4.002) 15.887 8.697 ( 2.999 8.969 23.687) 25.505 8.840 ( -9.896 6.856 12.582) 17.414 9.376 ( 6.548 -5.131 23.654) 25.075 9.475 ( -2.470 -8.386 23.713) 25.273 10.678 ( 8.816 -4.852 -12.056) 15.704 10.885 ( -11.247 -8.975 -16.205) 21.672 15.704 ( 17.326 15.621 -6.842) 24.311 16.116 ( -21.796 18.858 -1.266) 28.849 17.331 ( 11.815 -0.000 19.895) 23.139 17.584 ( -13.176 4.529 16.827) 21.847 19.058 ( 17.324 -29.453 1.443) 34.201 19.431 ( -19.067 -27.591 2.845) 33.659 23.558 ( 11.274 5.106 -6.396) 13.931 23.769 ( -9.180 2.122 -6.865) 11.658 ======================= Grid point 532 (103/189) ======================= q-point: ( 0.36 0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.287 ( 3.749 3.749 17.647) 18.426 5.044 ( -18.735 -18.735 1.802) 26.557 6.855 ( 22.631 22.631 -4.504) 32.320 7.408 ( 6.993 6.993 -6.750) 11.973 8.827 ( 2.994 2.994 57.929) 58.083 9.134 ( 2.064 2.064 -4.733) 5.560 9.185 ( -7.082 -7.082 40.369) 41.593 9.314 ( -1.635 -1.635 -9.716) 9.988 10.539 ( 1.341 1.341 -7.884) 8.109 10.904 ( -10.617 -10.617 -19.228) 24.396 15.689 ( 16.309 16.309 -7.821) 24.355 16.833 ( 2.366 2.366 10.053) 10.595 16.983 ( 1.887 1.887 16.908) 17.117 17.995 ( -13.139 -13.139 15.421) 24.147 18.289 ( 1.214 1.214 -5.050) 5.334 19.339 ( -23.707 -23.707 1.268) 33.550 23.488 ( 8.186 8.186 -4.984) 12.604 23.888 ( -3.605 -3.605 -6.133) 7.975 ======================= Grid point 533 (104/189) ======================= q-point: ( 0.45 0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.427 ( 9.902 -4.608 13.914) 17.689 4.689 ( -15.369 -12.571 7.959) 21.391 7.269 ( 16.179 17.063 -8.140) 24.883 7.468 ( -2.664 10.829 -10.929) 15.614 8.847 ( 1.542 4.810 46.917) 47.188 8.956 ( -8.988 3.328 32.943) 34.309 9.250 ( 4.527 -5.916 9.522) 12.090 9.308 ( -0.926 -6.572 4.535) 8.038 10.589 ( 4.016 -3.485 -14.744) 15.673 10.712 ( -7.836 -7.536 -19.264) 22.120 16.086 ( 21.642 21.155 -4.015) 30.529 16.537 ( -20.957 21.793 2.972) 30.381 17.270 ( 16.653 -7.021 17.761) 25.339 17.619 ( -17.839 -2.780 16.884) 24.718 18.523 ( 15.438 -20.149 -3.360) 25.605 18.887 ( -20.012 -24.255 -2.124) 31.517 23.648 ( 7.360 3.728 -4.412) 9.356 23.787 ( -6.029 -0.326 -4.859) 7.750 ======================= Grid point 544 (105/189) ======================= q-point: ( 0.45 0.45 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.392 ( 1.305 1.305 14.479) 14.596 4.482 ( -7.372 -7.372 12.227) 16.068 7.555 ( 9.576 9.576 -15.267) 20.408 7.623 ( 2.996 2.996 -17.586) 18.089 8.886 ( 0.455 0.455 61.720) 61.723 8.934 ( -3.987 -3.987 57.006) 57.284 9.204 ( 1.063 1.063 -2.826) 3.200 9.233 ( -1.563 -1.563 -3.685) 4.298 10.548 ( -0.221 -0.221 -20.510) 20.513 10.589 ( -4.161 -4.161 -22.457) 23.215 16.551 ( 23.383 23.383 0.781) 33.078 16.956 ( 2.635 2.635 2.848) 4.690 17.045 ( 0.876 0.876 16.260) 16.307 17.413 ( -16.629 -16.629 15.389) 28.105 18.321 ( 0.365 0.365 -4.763) 4.791 18.481 ( -14.371 -14.371 -4.823) 20.888 23.714 ( 2.779 2.779 -3.513) 5.271 23.762 ( -1.885 -1.885 -3.687) 4.549 ======================= Grid point 605 (106/189) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.264 ( 0.000 0.000 31.138) 31.138 4.264 ( 0.000 0.000 31.138) 31.138 7.203 ( 0.000 0.000 40.323) 40.323 8.399 ( -0.000 -0.000 -31.585) 31.585 8.399 ( 0.000 0.000 -31.585) 31.585 8.619 ( 0.000 0.000 66.976) 66.976 9.072 ( -0.000 0.000 11.409) 11.409 9.072 ( 0.000 0.000 11.409) 11.409 10.272 ( 0.000 0.000 46.796) 46.796 12.053 ( 0.000 0.000 -21.586) 21.586 17.177 ( 0.000 0.000 6.532) 6.532 17.177 ( 0.000 0.000 6.532) 6.532 17.931 ( 0.000 0.000 3.880) 3.880 17.931 ( 0.000 0.000 3.880) 3.880 19.355 ( -0.000 -0.000 7.197) 7.197 20.733 ( 0.000 0.000 8.392) 8.392 21.918 ( 0.000 0.000 -9.104) 9.104 23.759 ( 0.000 0.000 -14.167) 14.167 ======================= Grid point 606 (107/189) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.261 ( 0.022 0.000 30.270) 30.270 4.322 ( 5.641 0.000 29.228) 29.768 7.204 ( -0.102 0.000 37.690) 37.691 8.233 ( -15.302 0.000 -28.751) 32.569 8.290 ( -7.112 0.000 -19.367) 20.631 8.806 ( 14.516 0.000 52.649) 54.613 9.073 ( 0.091 0.000 10.901) 10.902 9.162 ( 8.686 0.000 10.533) 13.652 10.377 ( 9.043 0.000 44.867) 45.769 11.982 ( -6.698 0.000 -21.408) 22.432 16.979 ( -18.670 0.000 1.182) 18.707 17.093 ( -9.775 0.000 0.882) 9.815 17.750 ( -13.490 0.000 11.526) 17.743 17.881 ( -3.285 0.000 9.071) 9.647 19.498 ( 12.025 0.000 6.704) 13.768 20.973 ( 20.804 0.000 7.416) 22.086 21.853 ( -5.979 0.000 -9.812) 11.490 23.748 ( -1.128 0.000 -14.105) 14.150 ======================= Grid point 607 (108/189) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( 3.666 0.000 26.925) 27.173 4.501 ( 11.911 0.000 23.888) 26.693 7.184 ( -2.274 0.000 28.218) 28.310 7.819 ( -23.946 0.000 -24.365) 34.162 8.145 ( -6.714 0.000 -16.932) 18.214 9.066 ( -1.152 0.000 9.236) 9.307 9.175 ( 21.194 0.000 44.522) 49.309 9.410 ( 14.736 0.000 11.680) 18.804 10.587 ( 10.229 0.000 43.209) 44.403 11.789 ( -11.721 0.000 -20.739) 23.822 16.473 ( -28.604 0.000 -5.631) 29.153 16.711 ( -26.245 0.000 -6.490) 27.035 17.560 ( -3.914 0.000 21.391) 21.746 17.834 ( -1.369 0.000 14.733) 14.797 19.772 ( 13.519 0.000 6.256) 14.896 21.419 ( 13.902 0.000 14.316) 19.956 21.741 ( 2.101 0.000 -18.711) 18.828 23.710 ( -2.636 0.000 -13.877) 14.125 ======================= Grid point 608 (109/189) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.445 ( 11.916 0.000 20.015) 23.293 4.812 ( 18.258 0.000 16.362) 24.517 7.081 ( -8.683 0.000 11.110) 14.101 7.277 ( -28.342 0.000 -20.726) 35.111 8.043 ( -2.190 0.000 -6.942) 7.279 9.007 ( -5.091 0.000 6.740) 8.447 9.654 ( 24.261 0.000 18.929) 30.772 9.744 ( 17.648 0.000 28.093) 33.176 10.759 ( 5.764 0.000 43.040) 43.424 11.522 ( -13.759 0.000 -18.780) 23.281 15.879 ( -27.595 0.000 -9.257) 29.106 16.124 ( -28.749 0.000 -6.325) 29.436 17.546 ( 1.560 0.000 21.959) 22.015 17.814 ( -0.806 0.000 17.191) 17.210 20.032 ( 11.689 0.000 5.858) 13.075 21.320 ( -13.041 0.000 6.392) 14.523 22.128 ( 24.704 0.000 -11.707) 27.338 23.635 ( -4.884 0.000 -13.420) 14.281 ======================= Grid point 609 (110/189) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.789 ( 21.362 0.000 10.603) 23.849 5.237 ( 22.472 0.000 8.722) 24.105 6.673 ( -29.918 0.000 -17.025) 34.423 6.806 ( -17.862 0.000 -3.155) 18.139 8.088 ( 6.643 0.000 2.155) 6.984 8.845 ( -10.626 0.000 4.249) 11.444 10.067 ( 16.804 0.000 -5.647) 17.728 10.189 ( 23.884 0.000 44.536) 50.536 10.798 ( -2.462 0.000 38.524) 38.603 11.244 ( -12.938 0.000 -11.200) 17.112 15.395 ( -18.444 0.000 -10.405) 21.177 15.587 ( -22.545 0.000 -6.448) 23.449 17.601 ( 3.463 0.000 21.197) 21.478 17.792 ( -1.549 0.000 18.525) 18.589 20.259 ( 10.777 0.000 5.321) 12.019 21.030 ( -14.448 0.000 4.737) 15.205 22.608 ( 21.498 0.000 -10.624) 23.980 23.503 ( -8.063 0.000 -12.745) 15.081 ======================= Grid point 610 (111/189) ======================= q-point: ( 0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.294 ( 26.439 0.000 2.164) 26.527 5.639 ( 7.708 0.000 3.957) 8.664 6.139 ( -13.329 0.000 -13.336) 18.855 6.381 ( -22.048 0.000 -7.329) 23.235 8.296 ( 12.925 0.000 3.579) 13.411 8.584 ( -14.179 0.000 3.135) 14.521 10.391 ( 14.653 0.000 7.366) 16.400 10.640 ( 19.405 0.000 26.192) 32.598 10.657 ( -10.662 0.000 22.401) 24.809 10.978 ( -13.859 0.000 7.875) 15.940 15.159 ( -4.003 0.000 -9.546) 10.352 15.234 ( -11.039 0.000 -7.767) 13.497 17.677 ( 3.738 0.000 20.403) 20.742 17.747 ( -2.844 0.000 19.543) 19.749 20.487 ( 11.612 0.000 4.852) 12.585 20.743 ( -13.315 0.000 4.635) 14.098 23.002 ( 16.757 0.000 -11.152) 20.129 23.298 ( -12.112 0.000 -11.943) 17.010 ======================= Grid point 617 (112/189) ======================= q-point: ( 0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.313 ( 2.148 2.148 29.542) 29.698 4.335 ( 4.468 4.468 27.024) 27.753 7.211 ( 0.447 0.447 35.732) 35.738 7.910 ( -19.259 -19.259 -24.936) 36.927 8.465 ( 2.954 2.954 -29.205) 29.503 8.859 ( 8.336 8.336 56.035) 57.262 9.101 ( 1.388 1.388 10.016) 10.207 9.237 ( 7.646 7.646 11.835) 16.031 10.455 ( 6.982 6.982 44.536) 45.617 11.913 ( -6.598 -6.598 -21.255) 23.213 16.647 ( -23.889 -23.889 -6.026) 34.317 17.156 ( -0.885 -0.885 5.462) 5.603 17.606 ( -8.315 -8.315 17.783) 21.320 17.981 ( 2.284 2.284 4.480) 5.523 19.446 ( -1.093 -1.093 8.025) 8.173 21.208 ( 19.051 19.051 8.855) 28.360 21.785 ( -5.775 -5.775 -11.940) 14.466 23.748 ( -0.153 -0.153 -14.080) 14.081 ======================= Grid point 618 (113/189) ======================= q-point: ( 0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.346 ( 3.103 4.427 26.355) 26.904 4.532 ( 13.557 4.232 21.501) 25.768 7.199 ( -3.053 1.118 25.669) 25.874 7.482 ( -20.990 -22.676 -20.158) 36.894 8.406 ( -6.588 14.925 -20.831) 26.460 9.075 ( 2.058 2.244 16.737) 17.012 9.202 ( 16.973 1.589 33.125) 37.254 9.455 ( 12.921 4.264 14.000) 19.523 10.626 ( 8.776 3.737 44.147) 45.166 11.723 ( -11.563 -6.349 -20.656) 24.509 16.108 ( -26.995 -23.075 -8.768) 36.579 16.957 ( -19.861 12.316 -0.106) 23.370 17.485 ( -1.977 -6.400 20.548) 21.613 17.951 ( -3.193 9.058 10.160) 13.981 19.541 ( 9.467 -18.381 7.387) 21.956 21.444 ( -5.830 -4.598 11.630) 13.798 21.823 ( 17.904 12.410 -15.378) 26.665 23.734 ( -1.438 1.937 -13.842) 14.051 ======================= Grid point 619 (114/189) ======================= q-point: ( 0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.470 ( 9.461 1.835 20.736) 22.866 4.886 ( 20.640 7.813 13.490) 25.866 6.899 ( -24.406 -18.245 -14.212) 33.623 7.224 ( -6.630 -0.305 9.957) 11.966 8.258 ( -6.294 16.388 -11.846) 21.178 9.030 ( -4.987 2.448 6.487) 8.541 9.641 ( 22.514 -1.460 14.851) 27.010 9.752 ( 16.151 0.749 30.170) 34.229 10.779 ( 5.333 2.026 43.496) 43.869 11.459 ( -13.484 -5.986 -18.701) 23.819 15.592 ( -22.111 -16.952 -9.781) 29.528 16.418 ( -29.732 17.891 -4.425) 34.981 17.506 ( 3.042 -3.639 20.567) 21.107 17.894 ( -2.313 7.080 15.720) 17.395 19.772 ( 12.042 -22.709 5.682) 26.324 21.190 ( -15.215 -12.410 4.545) 20.154 22.280 ( 22.883 13.207 -8.862) 27.868 23.680 ( -4.008 3.842 -13.209) 14.328 ======================= Grid point 620 (115/189) ======================= q-point: ( 0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.745 ( 17.223 -3.476 12.668) 21.661 5.356 ( 23.712 10.319 6.176) 26.587 6.374 ( -24.868 -17.983 -14.447) 33.920 7.009 ( -15.563 9.676 -1.303) 18.372 8.210 ( 2.520 11.075 -1.438) 11.449 8.871 ( -10.428 2.563 3.658) 11.344 10.027 ( 15.607 -4.049 -8.893) 18.413 10.155 ( 21.203 -3.150 47.788) 52.376 10.818 ( -1.954 1.756 36.320) 36.415 11.193 ( -11.924 -4.896 -9.691) 16.127 15.239 ( -11.379 -8.094 -10.042) 17.200 15.822 ( -26.873 16.065 -6.632) 32.003 17.589 ( 4.721 -1.077 20.315) 20.884 17.846 ( -2.612 4.913 18.190) 19.022 20.019 ( 12.006 -21.772 4.493) 25.266 20.866 ( -15.810 -15.285 3.725) 22.304 22.722 ( 19.785 9.855 -8.916) 23.834 23.563 ( -7.510 5.109 -12.229) 15.234 ======================= Grid point 621 (116/189) ======================= q-point: ( 0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.163 ( 22.720 -9.714 4.368) 25.092 5.597 ( -12.663 -8.387 1.216) 15.238 6.135 ( 13.679 7.202 -9.872) 18.342 6.594 ( -23.747 14.271 -7.416) 28.680 8.357 ( 10.989 5.846 2.290) 12.656 8.619 ( -13.434 3.391 2.460) 14.072 10.323 ( 12.995 -6.411 3.729) 14.963 10.477 ( 4.213 -9.305 27.179) 29.035 10.763 ( 2.740 3.754 20.911) 21.422 10.963 ( -11.324 -1.665 11.824) 16.457 15.151 ( 3.039 1.611 -9.473) 10.079 15.361 ( -17.051 10.155 -8.238) 21.487 17.690 ( 4.845 1.139 20.007) 20.617 17.780 ( -3.847 3.076 19.396) 20.012 20.272 ( 12.840 -19.760 3.824) 23.873 20.553 ( -14.513 -17.614 3.613) 23.106 23.087 ( 15.754 7.476 -9.903) 20.053 23.368 ( -11.544 6.092 -11.074) 17.118 ======================= Grid point 629 (117/189) ======================= q-point: ( 0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.419 ( 2.828 2.828 25.129) 25.446 4.737 ( 15.762 15.762 14.688) 26.695 6.971 ( -24.815 -24.815 -20.639) 40.712 7.241 ( 0.946 0.946 24.594) 24.630 8.613 ( 3.954 3.954 -23.279) 23.941 9.172 ( 1.793 1.793 5.805) 6.335 9.259 ( 9.884 9.884 34.984) 37.673 9.578 ( 7.660 7.660 18.700) 21.611 10.730 ( 5.860 5.860 45.147) 45.901 11.538 ( -11.216 -11.216 -20.322) 25.779 15.645 ( -20.862 -20.862 -10.076) 31.177 17.119 ( -0.736 -0.736 3.243) 3.405 17.319 ( -6.173 -6.173 18.159) 20.149 18.100 ( 3.265 3.265 5.643) 7.291 19.218 ( -8.848 -8.848 10.064) 16.058 21.209 ( -15.943 -15.943 4.135) 22.923 22.189 ( 20.092 20.092 -7.153) 29.302 23.770 ( 1.061 1.061 -13.455) 13.539 ======================= Grid point 630 (118/189) ======================= q-point: ( 0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.500 ( 5.715 1.123 21.203) 21.989 5.144 ( 22.798 16.800 7.501) 29.296 6.460 ( -24.079 -22.219 -16.403) 36.641 7.249 ( -0.880 1.815 15.423) 15.554 8.590 ( -4.676 14.020 -16.081) 21.841 9.116 ( -5.526 6.045 5.301) 9.756 9.584 ( 17.582 -3.988 9.612) 20.431 9.774 ( 11.862 1.546 34.141) 36.176 10.840 ( 3.974 3.580 43.589) 43.916 11.283 ( -12.904 -10.850 -18.653) 25.143 15.289 ( -13.038 -11.740 -10.734) 20.568 16.775 ( -26.135 16.697 0.292) 31.015 17.388 ( 7.370 -8.685 16.231) 19.829 18.074 ( -4.175 9.620 11.173) 15.324 19.228 ( 7.813 -27.251 7.679) 29.370 20.841 ( -19.136 -20.567 2.532) 28.206 22.594 ( 18.881 16.033 -5.812) 25.443 23.761 ( -2.142 3.366 -12.442) 13.066 ======================= Grid point 631 (119/189) ======================= q-point: ( 0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.672 ( 11.296 -3.217 15.095) 19.126 5.561 ( 9.183 4.300 2.111) 10.357 6.077 ( -5.155 -5.545 -11.948) 14.145 7.166 ( -8.310 5.896 2.981) 10.616 8.495 ( -2.661 15.458 -6.847) 17.115 8.954 ( -10.097 5.590 2.285) 11.765 9.896 ( 12.949 -8.633 -8.856) 17.906 10.073 ( 15.460 -4.345 48.342) 50.940 10.852 ( -3.507 0.728 27.180) 27.415 11.051 ( -8.548 -8.521 -1.967) 12.229 15.138 ( -1.077 -1.152 -10.846) 10.960 16.185 ( -29.350 19.111 -4.960) 35.373 17.551 ( 8.233 -3.145 17.805) 19.867 17.977 ( -5.067 7.489 16.696) 18.987 19.453 ( 12.920 -31.299 3.989) 34.095 20.445 ( -19.026 -24.586 1.852) 31.143 22.957 ( 16.391 12.033 -6.400) 21.317 23.676 ( -6.186 5.111 -10.953) 13.578 ======================= Grid point 632 (120/189) ======================= q-point: ( 0.45 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.963 ( 16.822 -9.057 7.731) 20.610 5.343 ( -19.107 -13.886 1.081) 23.644 6.402 ( 24.785 16.187 -8.047) 30.677 6.877 ( -19.679 12.687 -6.078) 24.190 8.531 ( 6.302 10.828 -0.705) 12.548 8.724 ( -11.383 6.905 0.840) 13.340 10.142 ( 10.751 -10.772 0.434) 15.225 10.275 ( 0.937 -10.175 26.403) 28.311 10.788 ( 1.558 -1.836 14.367) 14.568 10.906 ( -7.058 -3.752 22.172) 23.569 15.255 ( 12.367 8.802 -10.073) 18.218 15.630 ( -23.544 15.990 -8.186) 29.614 17.717 ( 7.727 1.154 18.909) 20.459 17.862 ( -6.289 4.531 18.808) 20.343 19.740 ( 15.015 -30.440 2.061) 34.004 20.071 ( -17.223 -27.977 1.542) 32.890 23.265 ( 13.501 8.913 -7.701) 17.917 23.508 ( -10.103 6.744 -9.292) 15.294 ======================= Grid point 641 (121/189) ======================= q-point: ( 0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.534 ( 2.656 2.656 19.593) 19.949 5.498 ( 12.387 12.387 2.097) 17.643 6.076 ( -10.239 -10.239 -12.345) 19.028 7.279 ( 0.792 0.792 10.496) 10.555 8.780 ( 4.206 4.206 -16.397) 17.443 9.224 ( 0.487 0.487 0.910) 1.141 9.535 ( 2.463 2.463 3.644) 5.041 9.837 ( 5.387 5.387 43.485) 44.147 10.905 ( 1.915 1.915 42.359) 42.445 11.031 ( -12.971 -12.971 -19.113) 26.491 15.139 ( -2.298 -2.298 -11.476) 11.927 17.105 ( -4.034 -4.034 12.665) 13.890 17.109 ( 0.356 0.356 0.922) 1.050 18.229 ( 2.829 2.829 6.938) 8.009 18.791 ( -11.323 -11.323 12.621) 20.389 20.380 ( -23.583 -23.583 1.073) 33.369 22.912 ( 14.645 14.645 -4.713) 21.240 23.797 ( -0.167 -0.167 -11.044) 11.047 ======================= Grid point 642 (122/189) ======================= q-point: ( 0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.624 ( 6.438 -1.218 16.038) 17.325 5.400 ( -15.480 -14.505 -0.519) 21.220 6.271 ( 22.155 18.651 -8.410) 30.156 7.260 ( -3.410 3.326 1.744) 5.073 8.791 ( -1.666 12.123 -10.495) 16.121 9.100 ( -9.684 8.217 0.435) 12.708 9.691 ( 10.067 -10.371 -4.379) 15.103 10.000 ( 8.960 -2.005 48.411) 49.274 10.766 ( -10.518 -10.539 -12.323) 19.328 10.912 ( -2.607 -3.736 34.591) 34.890 15.210 ( 9.350 8.350 -11.517) 17.023 16.603 ( -28.177 21.415 -1.726) 35.433 17.424 ( 14.927 -10.427 11.755) 21.674 18.143 ( -8.434 8.488 14.067) 18.468 18.815 ( 9.877 -28.919 6.892) 31.327 19.897 ( -22.986 -27.933 -0.223) 36.175 23.192 ( 12.665 10.631 -4.922) 17.253 23.750 ( -4.358 1.826 -9.263) 10.399 ======================= Grid point 643 (123/189) ======================= q-point: ( 0.45 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.804 ( 11.034 -6.316 10.837) 16.706 5.074 ( -15.030 -11.846 4.720) 19.711 6.742 ( 21.562 16.173 -9.278) 28.506 7.102 ( -12.671 9.086 -6.456) 16.875 8.783 ( 2.228 12.932 -3.734) 13.644 8.900 ( -8.654 9.972 -0.789) 13.227 9.908 ( 10.610 -11.145 1.711) 15.482 10.079 ( -3.622 -8.158 24.514) 26.088 10.674 ( 3.016 -9.032 8.546) 12.795 10.807 ( -7.167 -6.298 29.360) 30.872 15.517 ( 20.246 16.766 -10.252) 28.215 16.016 ( -27.512 21.497 -7.277) 35.665 17.712 ( 12.945 -2.546 16.268) 20.945 17.950 ( -10.289 3.565 17.777) 20.847 19.085 ( 15.737 -31.644 1.399) 35.368 19.453 ( -19.936 -31.068 -0.604) 36.919 23.431 ( 10.570 7.070 -5.939) 14.035 23.623 ( -7.916 4.146 -7.465) 11.644 ======================= Grid point 653 (124/189) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.630 ( 1.939 1.939 15.352) 15.595 5.104 ( -13.355 -13.355 3.775) 19.260 6.683 ( 19.829 19.829 -10.390) 29.906 7.300 ( 0.213 0.213 -3.597) 3.610 8.962 ( 4.607 4.607 -10.051) 11.978 9.211 ( -0.921 -0.921 -1.806) 2.226 9.563 ( 1.547 1.547 -1.083) 2.441 10.017 ( 3.137 3.137 53.599) 53.782 10.515 ( -11.618 -11.618 -18.920) 25.058 10.815 ( -6.715 -6.715 34.996) 36.261 15.483 ( 18.075 18.075 -11.184) 27.901 16.997 ( -1.265 -1.265 5.615) 5.893 17.142 ( 1.079 1.079 -1.161) 1.917 18.319 ( -11.832 -11.832 15.691) 22.939 18.324 ( 1.758 1.758 8.355) 8.717 19.331 ( -26.320 -26.320 -2.018) 37.277 23.391 ( 8.750 8.750 -4.479) 13.159 23.748 ( -1.945 -1.945 -7.477) 7.966 ======================= Grid point 654 (125/189) ======================= q-point: ( 0.45 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.708 ( 5.728 -2.909 12.934) 14.441 4.867 ( -9.677 -8.211 8.865) 15.481 7.041 ( 14.225 12.417 -11.815) 22.274 7.248 ( -5.896 5.033 -9.488) 12.252 9.019 ( 2.328 8.918 -5.399) 10.682 9.103 ( -6.056 8.109 -2.167) 10.350 9.737 ( 12.308 -3.607 4.674) 13.651 9.985 ( -9.318 0.310 27.469) 29.008 10.435 ( 6.065 -13.873 6.495) 16.475 10.633 ( -10.475 -10.665 28.252) 31.964 15.937 ( 25.646 23.821 -9.249) 36.204 16.505 ( -28.598 25.761 -5.004) 38.814 17.552 ( 21.920 -14.782 8.404) 27.742 17.961 ( -17.724 -4.987 15.100) 23.812 18.534 ( 12.051 -18.862 4.857) 22.904 18.852 ( -19.534 -25.498 -0.861) 32.132 23.553 ( 6.994 4.800 -4.865) 9.779 23.676 ( -4.909 1.140 -5.923) 7.777 ======================= Grid point 665 (126/189) ======================= q-point: ( 0.45 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.685 ( 0.694 0.694 13.429) 13.465 4.737 ( -4.383 -4.383 12.019) 13.524 7.237 ( 6.420 6.420 -13.915) 16.616 7.302 ( -0.026 -0.026 -13.040) 13.040 9.134 ( 2.967 2.967 -3.822) 5.676 9.173 ( -0.633 -0.633 -2.359) 2.523 9.824 ( 11.410 11.410 8.258) 18.127 10.096 ( 0.871 0.871 55.642) 55.655 10.138 ( -5.643 -5.643 -21.536) 22.967 10.379 ( -13.535 -13.535 25.052) 31.527 16.478 ( 28.162 28.162 -6.580) 40.367 16.980 ( 0.072 0.072 -0.479) 0.490 17.180 ( 0.573 0.573 -2.504) 2.632 17.650 ( -23.773 -23.773 5.717) 34.102 18.373 ( 0.588 0.588 9.405) 9.442 18.481 ( -10.456 -10.456 5.657) 15.832 23.632 ( 2.946 2.946 -4.510) 6.140 23.674 ( -1.177 -1.177 -4.885) 5.161 ======================= Grid point 726 (127/189) ======================= q-point: ( 0.00 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.841 ( 0.000 0.000 25.542) 25.542 4.841 ( -0.000 -0.000 25.542) 25.542 7.762 ( -0.000 0.000 -30.492) 30.492 7.762 ( 0.000 0.000 -30.492) 30.492 8.030 ( 0.000 0.000 40.596) 40.596 9.318 ( 0.000 0.000 12.224) 12.224 9.318 ( -0.000 -0.000 12.224) 12.224 9.869 ( 0.000 0.000 55.298) 55.298 11.109 ( 0.000 0.000 34.374) 34.374 11.569 ( -0.000 -0.000 -25.860) 25.860 17.137 ( 0.000 -0.000 -7.021) 7.021 17.137 ( 0.000 0.000 -7.021) 7.021 18.131 ( 0.000 0.000 12.481) 12.481 18.131 ( -0.000 -0.000 12.481) 12.481 19.502 ( -0.000 -0.000 7.592) 7.592 20.801 ( 0.000 0.000 -3.403) 3.403 21.826 ( 0.000 0.000 1.835) 1.835 23.447 ( 0.000 0.000 -16.475) 16.475 ======================= Grid point 727 (128/189) ======================= q-point: ( 0.09 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.823 ( -1.483 0.000 24.989) 25.033 4.866 ( 2.545 0.000 24.284) 24.417 7.632 ( -12.179 0.000 -29.258) 31.692 7.637 ( -10.739 0.000 -21.632) 24.151 8.074 ( 3.194 0.000 31.386) 31.549 9.308 ( -1.042 0.000 11.615) 11.662 9.327 ( 1.425 0.000 10.578) 10.673 10.013 ( 13.054 0.000 53.326) 54.901 11.193 ( 7.553 0.000 33.827) 34.660 11.505 ( -6.018 0.000 -25.342) 26.047 16.891 ( -22.095 0.000 -7.172) 23.230 16.984 ( -14.947 0.000 -8.380) 17.136 18.050 ( -5.958 0.000 14.959) 16.102 18.131 ( 0.031 0.000 12.933) 12.934 19.633 ( 11.153 0.000 6.925) 13.128 20.992 ( 16.574 0.000 -7.287) 18.105 21.780 ( -4.018 0.000 4.465) 6.007 23.438 ( -0.879 0.000 -16.296) 16.320 ======================= Grid point 728 (129/189) ======================= q-point: ( 0.18 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.797 ( -0.447 0.000 22.818) 22.822 4.952 ( 6.061 0.000 20.463) 21.342 7.291 ( -20.238 0.000 -26.316) 33.198 7.361 ( -15.605 0.000 -17.131) 23.173 8.138 ( 2.894 0.000 25.153) 25.319 9.266 ( -3.375 0.000 9.823) 10.387 9.395 ( 5.500 0.000 4.277) 6.967 10.360 ( 19.704 0.000 50.745) 54.437 11.286 ( -7.836 0.000 -10.209) 12.870 11.429 ( 7.429 0.000 19.544) 20.908 16.326 ( -30.721 0.000 -7.320) 31.581 16.548 ( -26.024 0.000 -8.655) 27.426 17.956 ( -2.560 0.000 16.945) 17.138 18.133 ( 0.195 0.000 13.372) 13.373 19.890 ( 12.650 0.000 5.721) 13.883 21.329 ( 9.472 0.000 -19.647) 21.811 21.734 ( 4.816 0.000 14.731) 15.499 23.409 ( -2.024 0.000 -15.665) 15.796 ======================= Grid point 729 (130/189) ======================= q-point: ( 0.27 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.832 ( 4.481 0.000 17.934) 18.486 5.123 ( 10.721 0.000 14.269) 17.848 6.828 ( -24.238 0.000 -22.360) 32.977 7.010 ( -18.335 0.000 -15.926) 24.286 8.198 ( 3.210 0.000 21.006) 21.250 9.156 ( -7.605 0.000 7.457) 10.651 9.555 ( 9.950 0.000 -4.528) 10.932 10.789 ( 21.389 0.000 48.567) 53.068 11.039 ( -13.942 0.000 -21.282) 25.442 11.624 ( 8.811 0.000 33.107) 34.260 15.704 ( -28.310 0.000 -7.095) 29.186 15.982 ( -27.714 0.000 -7.317) 28.664 17.943 ( 0.937 0.000 16.747) 16.774 18.137 ( 0.050 0.000 13.695) 13.695 20.129 ( 10.514 0.000 4.132) 11.297 21.263 ( -10.396 0.000 -11.275) 15.337 22.059 ( 20.898 0.000 4.607) 21.399 23.350 ( -3.818 0.000 -14.418) 14.915 ======================= Grid point 730 (131/189) ======================= q-point: ( 0.36 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.000 ( 12.120 0.000 10.140) 15.802 5.393 ( 15.384 0.000 6.757) 16.803 6.315 ( -25.198 0.000 -17.319) 30.576 6.614 ( -20.091 0.000 -14.157) 24.578 8.286 ( 5.862 0.000 16.329) 17.349 8.953 ( -11.845 0.000 6.071) 13.310 9.797 ( 13.371 0.000 -12.483) 18.293 10.736 ( -15.277 0.000 -21.102) 26.052 11.212 ( 19.145 0.000 46.214) 50.022 11.754 ( 3.328 0.000 36.586) 36.737 15.217 ( -17.953 0.000 -6.451) 19.077 15.457 ( -22.445 0.000 -6.136) 23.268 17.984 ( 2.791 0.000 16.139) 16.378 18.131 ( -0.767 0.000 14.219) 14.240 20.329 ( 9.378 0.000 2.043) 9.598 21.016 ( -12.818 0.000 -5.689) 14.024 22.475 ( 18.836 0.000 -2.471) 18.997 23.245 ( -6.570 0.000 -12.490) 14.113 ======================= Grid point 731 (132/189) ======================= q-point: ( 0.45 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.326 ( 19.147 0.000 1.221) 19.185 5.688 ( 0.473 0.000 1.053) 1.154 5.869 ( -5.206 0.000 -12.431) 13.478 6.194 ( -20.407 0.000 -10.378) 22.894 8.450 ( 10.096 0.000 11.180) 15.064 8.691 ( -12.912 0.000 7.271) 14.818 10.094 ( 15.317 0.000 -17.745) 23.442 10.416 ( -15.809 0.000 -20.240) 25.682 11.551 ( 13.339 0.000 43.447) 45.449 11.741 ( -4.914 0.000 40.167) 40.466 14.999 ( -2.893 0.000 -5.824) 6.503 15.096 ( -11.854 0.000 -5.631) 13.124 18.047 ( 3.087 0.000 15.547) 15.850 18.102 ( -2.112 0.000 14.902) 15.051 20.528 ( 10.273 0.000 -0.293) 10.277 20.757 ( -12.022 0.000 -2.707) 12.323 22.819 ( 14.579 0.000 -6.708) 16.049 23.074 ( -10.267 0.000 -9.925) 14.280 ======================= Grid point 738 (133/189) ======================= q-point: ( 0.09 0.09 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.843 ( 0.859 0.859 22.914) 22.947 4.859 ( 0.703 0.703 24.179) 24.199 7.352 ( -17.306 -17.306 -28.065) 37.238 7.700 ( -2.360 -2.360 -11.381) 11.860 8.132 ( 4.191 4.191 20.334) 21.180 9.317 ( 0.415 0.415 9.129) 9.147 9.318 ( -0.019 -0.019 10.792) 10.792 10.114 ( 9.578 9.578 52.071) 53.805 11.269 ( 6.830 6.830 34.083) 35.425 11.439 ( -6.123 -6.123 -25.222) 26.667 16.487 ( -25.746 -25.746 -8.350) 37.356 17.109 ( -1.236 -1.236 -7.030) 7.244 17.952 ( -6.736 -6.736 15.058) 17.819 18.180 ( 2.244 2.244 12.116) 12.524 19.601 ( -0.319 -0.319 7.533) 7.546 21.189 ( 15.397 15.397 -12.049) 24.886 21.737 ( -3.078 -3.078 8.698) 9.726 23.439 ( 0.061 0.061 -16.129) 16.129 ======================= Grid point 739 (134/189) ======================= q-point: ( 0.18 0.09 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.832 ( -0.203 3.279 21.358) 21.610 4.945 ( 6.795 -0.227 19.073) 20.248 6.956 ( -20.746 -19.562 -24.771) 37.771 7.558 ( -11.097 6.345 -8.303) 15.243 8.206 ( 2.866 5.930 15.478) 16.821 9.275 ( -3.426 1.161 8.584) 9.315 9.386 ( 5.419 -1.074 3.569) 6.577 10.389 ( 16.637 3.261 49.802) 52.608 11.252 ( -10.883 -4.546 -21.466) 24.493 11.455 ( 9.520 3.452 31.717) 33.295 15.928 ( -27.338 -23.977 -8.114) 37.257 16.862 ( -22.138 15.784 -7.305) 28.153 17.851 ( -1.915 -9.026 15.047) 17.651 18.205 ( 0.467 5.165 12.825) 13.834 19.682 ( 7.616 -15.990 6.637) 18.914 21.355 ( -4.359 -3.220 -16.850) 17.700 21.825 ( 15.525 11.686 12.443) 23.074 23.434 ( -0.763 2.181 -15.488) 15.660 ======================= Grid point 740 (135/189) ======================= q-point: ( 0.27 0.09 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.861 ( 3.471 2.204 17.517) 17.993 5.143 ( 12.630 2.722 11.852) 17.533 6.514 ( -21.965 -19.040 -20.090) 35.335 7.261 ( -17.368 12.690 -10.936) 24.131 8.259 ( 2.648 5.725 15.281) 16.532 9.164 ( -7.591 0.989 6.477) 10.028 9.540 ( 9.475 -1.639 -4.774) 10.736 10.757 ( 16.596 -2.448 43.030) 46.184 11.008 ( -10.623 -3.437 -17.210) 20.514 11.642 ( 7.926 1.777 34.544) 35.486 15.411 ( -21.986 -17.518 -7.433) 29.077 16.295 ( -30.511 19.748 -6.807) 36.976 17.867 ( 2.832 -6.699 14.719) 16.418 18.206 ( -0.392 5.521 13.882) 14.945 19.871 ( 9.999 -21.902 4.285) 24.455 21.143 ( -13.518 -11.866 -8.418) 19.860 22.220 ( 20.029 13.857 2.615) 24.496 23.400 ( -2.760 4.310 -14.159) 15.056 ======================= Grid point 741 (136/189) ======================= q-point: ( 0.36 0.09 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.990 ( 9.293 -1.171 11.302) 14.678 5.460 ( 17.659 6.458 4.251) 19.278 6.068 ( -20.769 -15.523 -14.676) 29.794 6.860 ( -21.345 15.468 -12.541) 29.191 8.334 ( 5.111 4.524 13.473) 15.103 8.964 ( -11.618 1.141 5.266) 12.807 9.769 ( 12.628 -2.852 -12.022) 17.668 10.669 ( -14.479 -6.086 -18.237) 24.068 11.200 ( 18.082 -1.494 42.774) 46.463 11.755 ( 2.582 0.088 37.013) 37.103 15.064 ( -10.931 -8.633 -6.708) 15.460 15.686 ( -27.450 16.267 -6.337) 32.531 17.949 ( 4.728 -3.050 14.774) 15.809 18.186 ( -1.642 4.643 14.584) 15.393 20.079 ( 10.267 -22.288 1.734) 24.600 20.847 ( -14.661 -15.720 -4.993) 22.068 22.606 ( 17.248 11.218 -2.489) 20.725 23.313 ( -5.786 5.928 -12.109) 14.671 ======================= Grid point 742 (137/189) ======================= q-point: ( 0.45 0.09 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.243 ( 15.135 -6.370 3.637) 16.819 5.586 ( -15.995 -10.464 -2.115) 19.230 5.942 ( 18.907 10.513 -8.407) 23.209 6.399 ( -23.160 15.006 -11.072) 29.735 8.481 ( 9.367 3.072 9.823) 13.916 8.710 ( -12.395 1.842 6.443) 14.091 10.050 ( 14.607 -4.236 -16.741) 22.618 10.360 ( -15.292 -5.318 -18.874) 24.867 11.532 ( 13.428 -1.992 42.207) 44.336 11.729 ( -5.446 -1.262 39.826) 40.216 14.987 ( 3.711 0.893 -6.270) 7.341 15.212 ( -17.725 9.533 -6.145) 21.043 18.049 ( 4.761 0.276 14.979) 15.720 18.134 ( -3.399 2.887 14.967) 15.617 20.300 ( 11.493 -20.807 -0.668) 23.780 20.556 ( -13.457 -18.593 -2.799) 23.122 22.922 ( 13.448 8.881 -6.279) 17.295 23.157 ( -9.487 7.261 -9.453) 15.234 ======================= Grid point 750 (138/189) ======================= q-point: ( 0.18 0.18 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.881 ( 0.245 0.245 20.189) 20.192 5.015 ( 8.744 8.744 12.589) 17.646 6.540 ( -20.497 -20.497 -21.088) 35.846 7.589 ( -3.074 -3.074 1.229) 4.517 8.333 ( 5.338 5.338 4.537) 8.807 9.309 ( -0.533 -0.533 7.056) 7.096 9.361 ( 1.333 1.333 -0.899) 2.088 10.513 ( 9.065 9.065 48.159) 49.836 11.093 ( -10.341 -10.341 -23.392) 27.587 11.566 ( 6.542 6.542 35.488) 36.674 15.455 ( -21.152 -21.152 -8.053) 30.979 17.051 ( -1.338 -1.338 -7.293) 7.535 17.635 ( -8.308 -8.308 12.638) 17.256 18.300 ( 3.375 3.375 11.568) 12.514 19.409 ( -7.831 -7.831 8.762) 14.122 21.151 ( -14.809 -14.809 -8.881) 22.748 22.168 ( 18.857 18.857 4.526) 27.049 23.481 ( 1.916 1.916 -14.785) 15.031 ======================= Grid point 751 (139/189) ======================= q-point: ( 0.27 0.18 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.888 ( 1.267 0.103 16.843) 16.891 5.277 ( 16.182 10.741 5.672) 20.233 6.129 ( -19.127 -17.898 -15.617) 30.497 7.441 ( -11.164 4.392 -0.652) 12.014 8.411 ( 2.617 8.233 3.856) 9.460 9.206 ( -7.830 3.232 3.740) 9.259 9.478 ( 8.077 -4.581 -5.535) 10.810 10.722 ( 4.232 -0.428 29.575) 29.880 10.887 ( -2.700 -8.006 -5.124) 9.881 11.693 ( 5.211 2.953 36.325) 36.816 15.095 ( -13.107 -12.395 -7.786) 19.648 16.701 ( -28.376 19.369 -6.136) 34.899 17.655 ( 7.694 -14.786 10.193) 19.538 18.332 ( -0.097 6.315 12.709) 14.192 19.380 ( 3.911 -22.663 7.238) 24.110 20.800 ( -18.577 -20.590 -5.953) 28.364 22.543 ( 17.190 16.151 0.612) 23.596 23.497 ( -0.582 4.481 -13.317) 14.062 ======================= Grid point 752 (140/189) ======================= q-point: ( 0.36 0.18 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.952 ( 5.233 -2.359 12.198) 13.481 5.585 ( 2.864 -1.175 0.378) 3.119 5.842 ( 1.849 0.524 -10.647) 10.820 7.139 ( -17.999 10.726 -6.272) 21.871 8.467 ( 3.507 8.170 5.974) 10.711 9.006 ( -11.178 3.188 2.927) 11.987 9.674 ( 10.928 -6.434 -10.826) 16.675 10.513 ( -14.498 -8.499 -15.521) 22.876 11.140 ( 16.683 -4.248 39.643) 43.220 11.755 ( 0.212 -0.349 37.621) 37.624 14.945 ( -0.872 -2.207 -7.645) 8.005 16.061 ( -31.503 20.162 -6.483) 37.960 17.848 ( 10.098 -7.634 11.317) 16.980 18.301 ( -2.996 6.228 14.325) 15.905 19.524 ( 9.356 -29.154 3.178) 30.783 20.412 ( -18.615 -25.508 -4.542) 31.903 22.867 ( 14.300 12.961 -2.508) 19.462 23.450 ( -4.150 6.466 -11.127) 13.522 ======================= Grid point 753 (141/189) ======================= q-point: ( 0.45 0.18 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.109 ( 10.069 -6.255 6.438) 13.489 5.359 ( -13.868 -10.667 0.510) 17.503 6.225 ( 23.992 15.783 -8.740) 30.018 6.715 ( -22.846 14.761 -9.358) 28.765 8.577 ( 7.476 6.248 5.816) 11.347 8.771 ( -11.040 4.240 3.982) 12.478 9.923 ( 13.214 -7.965 -14.403) 21.107 10.211 ( -14.590 -8.730 -16.146) 23.448 11.463 ( 13.895 -4.797 40.175) 42.780 11.684 ( -7.233 -3.238 39.135) 39.929 15.072 ( 13.141 7.765 -7.529) 17.020 15.470 ( -24.977 15.615 -7.124) 30.305 18.048 ( 9.027 -0.889 13.371) 16.157 18.207 ( -6.194 3.817 14.613) 16.324 19.752 ( 12.837 -30.624 -0.547) 33.210 20.051 ( -16.254 -29.138 -3.058) 33.505 23.129 ( 11.238 10.260 -5.538) 16.194 23.326 ( -7.856 8.207 -8.460) 14.164 ======================= Grid point 762 (142/189) ======================= q-point: ( 0.27 0.27 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.882 ( -0.033 -0.033 14.564) 14.564 5.527 ( 7.777 7.777 0.969) 11.041 5.836 ( -5.212 -5.212 -10.964) 13.211 7.442 ( -4.111 -4.111 2.951) 6.520 8.559 ( 5.673 5.673 -2.077) 8.288 9.267 ( -1.528 -1.528 2.711) 3.467 9.381 ( -0.550 -0.550 -9.109) 9.143 10.625 ( -12.044 -12.044 -20.789) 26.876 10.832 ( 6.350 6.350 45.516) 46.394 11.744 ( 1.367 1.367 37.181) 37.231 14.932 ( -2.861 -2.861 -8.341) 9.270 17.014 ( -0.411 -0.411 -8.052) 8.073 17.308 ( -7.216 -7.216 7.331) 12.566 18.439 ( 3.237 3.237 11.607) 12.477 19.035 ( -9.753 -9.753 11.241) 17.794 20.333 ( -24.048 -24.048 -5.205) 34.405 22.854 ( 13.931 13.931 -0.972) 19.726 23.563 ( 1.568 1.568 -11.778) 11.985 ======================= Grid point 763 (143/189) ======================= q-point: ( 0.36 0.27 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.905 ( 2.555 -1.861 11.297) 11.731 5.394 ( -12.101 -11.502 -0.280) 16.698 6.097 ( 21.362 17.839 -8.093) 28.983 7.280 ( -11.510 2.902 -0.646) 11.888 8.648 ( 3.538 8.755 -1.554) 9.570 9.100 ( -10.624 5.917 -0.199) 12.162 9.509 ( 9.487 -9.163 -9.734) 16.393 10.336 ( -15.160 -8.788 -16.926) 24.363 11.046 ( 13.309 -3.835 41.991) 44.216 11.726 ( -3.591 -2.941 38.015) 38.298 14.997 ( 9.458 7.613 -8.892) 15.049 16.513 ( -32.406 23.808 -6.105) 40.673 17.581 ( 19.306 -19.656 4.253) 27.877 18.433 ( -4.160 6.456 13.415) 15.458 18.977 ( 3.137 -22.296 8.602) 24.103 19.842 ( -23.073 -29.104 -4.832) 37.453 23.113 ( 11.294 10.798 -2.815) 15.877 23.555 ( -2.306 3.518 -9.677) 10.552 ======================= Grid point 764 (144/189) ======================= q-point: ( 0.45 0.27 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.995 ( 6.282 -4.683 7.573) 10.897 5.163 ( -9.918 -8.320 3.629) 13.445 6.556 ( 22.156 15.663 -8.345) 28.387 6.974 ( -18.040 9.959 -5.775) 21.400 8.735 ( 5.575 8.872 0.251) 10.481 8.889 ( -9.304 7.235 0.331) 11.791 9.738 ( 12.684 -9.494 -12.342) 20.084 10.023 ( -14.864 -8.947 -14.562) 22.650 11.336 ( 13.954 -7.287 40.017) 43.002 11.587 ( -9.836 -6.417 38.923) 40.657 15.319 ( 21.517 16.405 -8.792) 28.450 15.857 ( -30.100 22.039 -7.779) 38.109 17.968 ( 17.570 -8.695 8.690) 21.443 18.272 ( -11.470 1.676 13.222) 17.584 19.123 ( 10.646 -28.255 2.461) 30.294 19.415 ( -17.805 -31.222 -2.743) 36.046 23.319 ( 8.761 7.969 -4.971) 12.844 23.470 ( -5.868 5.561 -7.319) 10.906 ======================= Grid point 774 (145/189) ======================= q-point: ( 0.36 0.36 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.886 ( 0.240 0.240 9.375) 9.382 5.178 ( -9.221 -9.221 2.942) 13.369 6.484 ( 18.902 18.902 -8.271) 27.982 7.264 ( -4.200 -4.200 -0.043) 5.940 8.804 ( 6.281 6.281 -4.393) 9.909 9.192 ( -1.910 -1.910 -0.409) 2.733 9.376 ( 1.745 1.745 -12.024) 12.275 10.132 ( -11.579 -11.579 -18.630) 24.804 11.034 ( 3.532 3.532 44.712) 44.990 11.620 ( -7.512 -7.512 38.676) 40.108 15.266 ( 18.483 18.483 -9.616) 27.851 17.016 ( 0.383 0.383 -9.072) 9.088 17.065 ( -4.456 -4.456 1.366) 6.448 18.555 ( 2.275 2.275 12.225) 12.641 18.610 ( -12.660 -12.660 12.355) 21.753 19.266 ( -25.288 -25.288 -4.016) 35.988 23.308 ( 8.253 8.253 -3.550) 12.200 23.589 ( -0.207 -0.207 -7.945) 7.950 ======================= Grid point 775 (146/189) ======================= q-point: ( 0.45 0.36 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.921 ( 3.201 -2.454 7.285) 8.327 5.019 ( -6.299 -5.676 5.320) 10.010 6.845 ( 15.719 12.053 -6.548) 20.863 7.114 ( -10.328 3.681 -3.134) 11.404 8.919 ( 5.551 8.356 -3.575) 10.650 9.053 ( -7.617 7.640 -2.379) 11.048 9.569 ( 13.096 -5.680 -13.018) 19.320 9.859 ( -14.451 -6.964 -16.158) 22.768 11.188 ( 10.581 -6.167 42.585) 44.311 11.423 ( -11.231 -9.256 40.042) 42.605 15.744 ( 27.564 24.759 -9.172) 38.170 16.371 ( -32.678 27.794 -7.446) 43.541 17.616 ( 28.636 -25.756 -0.858) 38.524 18.182 ( -25.007 -14.933 5.869) 29.711 18.695 ( 6.721 -11.389 9.555) 16.315 18.876 ( -12.412 -17.885 3.560) 22.059 23.454 ( 5.938 5.190 -4.702) 9.182 23.551 ( -3.413 2.301 -6.210) 7.451 ======================= Grid point 786 (147/189) ======================= q-point: ( 0.45 0.45 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.897 ( 0.196 0.196 6.506) 6.511 4.930 ( -2.967 -2.967 5.949) 7.280 7.041 ( 6.971 6.971 -4.433) 10.809 7.131 ( -1.863 -1.863 -2.951) 3.956 9.059 ( 5.247 5.247 -3.322) 8.130 9.130 ( -0.868 -0.868 -1.808) 2.186 9.568 ( 5.706 5.706 -18.046) 19.768 9.719 ( -7.321 -7.321 -19.321) 21.921 11.128 ( 1.107 1.107 44.812) 44.839 11.233 ( -8.266 -8.266 42.793) 44.361 16.320 ( 30.851 30.851 -8.248) 44.402 16.944 ( -1.442 -1.442 -2.777) 3.446 17.032 ( 0.286 0.286 -9.790) 9.798 17.655 ( -31.631 -31.631 -3.531) 44.872 18.619 ( 0.825 0.825 12.796) 12.849 18.673 ( -4.668 -4.668 11.246) 13.040 23.535 ( 2.778 2.778 -4.805) 6.206 23.569 ( -0.457 -0.457 -5.323) 5.363 ======================= Grid point 847 (148/189) ======================= q-point: ( 0.00 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.310 ( 0.000 0.000 20.508) 20.508 5.310 ( 0.000 0.000 20.508) 20.508 7.180 ( 0.000 0.000 -25.910) 25.910 7.180 ( 0.000 0.000 -25.910) 25.910 8.847 ( 0.000 0.000 39.371) 39.371 9.546 ( 0.000 0.000 9.559) 9.559 9.546 ( -0.000 -0.000 9.559) 9.559 10.854 ( -0.000 -0.000 40.844) 40.844 11.000 ( 0.000 0.000 -29.984) 29.984 11.640 ( 0.000 0.000 17.077) 17.077 16.983 ( -0.000 -0.000 -6.919) 6.919 16.983 ( 0.000 0.000 -6.919) 6.919 18.358 ( 0.000 0.000 8.934) 8.934 18.358 ( 0.000 0.000 8.934) 8.934 19.681 ( 0.000 0.000 10.277) 10.277 20.597 ( 0.000 0.000 -14.930) 14.930 21.998 ( 0.000 0.000 13.686) 13.686 23.092 ( 0.000 0.000 -18.209) 18.209 ======================= Grid point 848 (149/189) ======================= q-point: ( 0.09 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.285 ( -2.343 0.000 20.323) 20.457 5.315 ( 0.563 0.000 19.792) 19.800 7.070 ( -10.342 0.000 -25.154) 27.197 7.103 ( -7.277 0.000 -25.403) 26.425 8.833 ( -1.394 0.000 38.126) 38.151 9.523 ( -2.299 0.000 8.915) 9.206 9.525 ( -1.777 0.000 8.451) 8.636 10.942 ( -5.567 0.000 -29.495) 30.016 10.971 ( 10.859 0.000 39.839) 41.293 11.724 ( 7.806 0.000 17.142) 18.836 16.751 ( -21.042 0.000 -5.779) 21.821 16.815 ( -15.837 0.000 -7.488) 17.518 18.308 ( -3.823 0.000 9.929) 10.640 18.354 ( -0.275 0.000 8.386) 8.391 19.797 ( 10.018 0.000 9.642) 13.905 20.722 ( 10.406 0.000 -16.960) 19.898 21.997 ( 0.394 0.000 14.900) 14.905 23.088 ( -0.373 0.000 -17.904) 17.908 ======================= Grid point 849 (150/189) ======================= q-point: ( 0.18 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.225 ( -3.121 0.000 19.204) 19.456 5.338 ( 1.815 0.000 17.373) 17.468 6.780 ( -17.104 0.000 -23.021) 28.679 6.896 ( -12.389 0.000 -23.761) 26.797 8.792 ( -2.478 0.000 34.686) 34.775 9.445 ( -5.439 0.000 7.322) 9.121 9.489 ( -1.278 0.000 4.494) 4.672 10.779 ( -10.042 0.000 -28.144) 29.882 11.269 ( 17.358 0.000 37.700) 41.505 11.934 ( 11.812 0.000 17.708) 21.286 16.208 ( -29.592 0.000 -3.773) 29.832 16.378 ( -25.291 0.000 -7.765) 26.456 18.241 ( -2.134 0.000 10.972) 11.177 18.351 ( 0.019 0.000 7.645) 7.645 20.026 ( 10.996 0.000 8.136) 13.679 20.924 ( 6.943 0.000 -19.641) 20.832 22.047 ( 5.427 0.000 15.891) 16.792 23.076 ( -0.796 0.000 -16.829) 16.848 ======================= Grid point 850 (151/189) ======================= q-point: ( 0.27 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.176 ( -1.054 0.000 15.918) 15.953 5.398 ( 4.248 0.000 12.731) 13.421 6.396 ( -19.745 0.000 -19.435) 27.705 6.611 ( -14.980 0.000 -20.692) 25.545 8.737 ( -2.599 0.000 29.625) 29.739 9.296 ( -9.076 0.000 6.004) 10.882 9.490 ( 1.712 0.000 -2.222) 2.805 10.542 ( -12.734 0.000 -26.439) 29.346 11.651 ( 19.041 0.000 35.282) 40.092 12.178 ( 11.228 0.000 19.434) 22.445 15.610 ( -27.229 0.000 -2.007) 27.303 15.835 ( -26.299 0.000 -6.939) 27.199 18.226 ( 0.512 0.000 11.021) 11.033 18.354 ( 0.297 0.000 7.453) 7.459 20.223 ( 8.109 0.000 5.749) 9.940 20.961 ( -3.082 0.000 -16.480) 16.765 22.232 ( 11.850 0.000 10.923) 16.116 23.052 ( -1.705 0.000 -14.712) 14.810 ======================= Grid point 851 (152/189) ======================= q-point: ( 0.36 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.202 ( 3.991 0.000 9.720) 10.508 5.520 ( 7.716 0.000 5.694) 9.589 5.991 ( -19.131 0.000 -13.837) 23.611 6.295 ( -15.488 0.000 -15.937) 22.223 8.701 ( -0.468 0.000 23.324) 23.329 9.085 ( -10.920 0.000 6.748) 12.837 9.569 ( 6.128 0.000 -9.954) 11.689 10.266 ( -13.848 0.000 -24.549) 28.186 12.023 ( 16.608 0.000 32.718) 36.692 12.368 ( 6.726 0.000 22.453) 23.438 15.140 ( -17.475 0.000 -1.170) 17.514 15.340 ( -21.062 0.000 -5.391) 21.741 18.256 ( 2.210 0.000 10.569) 10.798 18.358 ( -0.080 0.000 7.940) 7.940 20.368 ( 6.326 0.000 2.349) 6.748 20.836 ( -8.099 0.000 -10.863) 13.550 22.492 ( 12.606 0.000 3.637) 13.120 22.999 ( -3.613 0.000 -11.514) 12.068 ======================= Grid point 852 (153/189) ======================= q-point: ( 0.45 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.350 ( 10.401 0.000 1.269) 10.478 5.620 ( -14.601 0.000 -8.781) 17.039 5.725 ( 10.126 0.000 -0.086) 10.127 5.987 ( -14.222 0.000 -9.333) 17.011 8.736 ( 4.171 0.000 16.478) 16.998 8.874 ( -8.992 0.000 10.459) 13.793 9.740 ( 10.371 0.000 -16.790) 19.735 9.985 ( -13.157 0.000 -21.657) 25.340 12.307 ( 10.355 0.000 29.835) 31.580 12.429 ( -1.333 0.000 26.277) 26.311 14.922 ( -3.333 0.000 -1.884) 3.828 15.004 ( -10.843 0.000 -3.569) 11.416 18.306 ( 2.394 0.000 9.850) 10.137 18.345 ( -1.290 0.000 8.889) 8.982 20.501 ( 6.969 0.000 -1.720) 7.178 20.660 ( -8.464 0.000 -6.058) 10.408 22.727 ( 9.957 0.000 -2.443) 10.252 22.896 ( -6.550 0.000 -7.406) 9.887 ======================= Grid point 859 (154/189) ======================= q-point: ( 0.09 0.09 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.275 ( -1.454 -1.454 19.685) 19.792 5.300 ( -0.657 -0.657 19.028) 19.051 6.801 ( -15.715 -15.715 -25.388) 33.742 7.233 ( 2.386 2.386 -23.630) 23.870 8.819 ( -1.251 -1.251 36.818) 36.860 9.486 ( -2.615 -2.615 7.212) 8.105 9.520 ( -1.255 -1.255 8.494) 8.677 10.886 ( -5.344 -5.344 -29.036) 30.004 11.049 ( 7.630 7.630 38.724) 40.200 11.804 ( 7.307 7.307 17.645) 20.448 16.337 ( -25.318 -25.318 -5.976) 36.301 16.955 ( -1.260 -1.260 -6.950) 7.175 18.200 ( -6.997 -6.997 9.099) 13.442 18.400 ( 1.988 1.988 8.726) 9.168 19.765 ( -0.684 -0.684 8.710) 8.763 20.864 ( 10.202 10.202 -17.299) 22.526 22.007 ( 1.696 1.696 15.846) 16.026 23.095 ( 0.600 0.600 -17.536) 17.557 ======================= Grid point 860 (155/189) ======================= q-point: ( 0.18 0.09 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.225 ( -2.768 0.237 17.497) 17.716 5.309 ( 1.536 -2.583 16.411) 16.684 6.463 ( -16.790 -17.259 -23.052) 33.334 7.175 ( -7.934 12.983 -20.967) 25.906 8.783 ( -2.180 -0.820 33.201) 33.283 9.417 ( -4.576 -2.388 4.907) 7.121 9.482 ( -1.802 -1.004 5.552) 5.923 10.728 ( -9.827 -4.813 -27.579) 29.670 11.280 ( 14.484 1.553 36.303) 39.117 11.996 ( 10.673 5.604 18.714) 22.260 15.794 ( -26.314 -23.843 -4.898) 35.845 16.712 ( -21.404 15.923 -6.570) 27.474 18.094 ( -2.297 -11.571 8.757) 14.692 18.428 ( 0.871 4.595 8.600) 9.789 19.820 ( 5.594 -14.906 7.018) 17.399 20.999 ( 1.089 2.493 -16.750) 16.969 22.109 ( 8.791 6.787 14.756) 18.468 23.108 ( 0.513 2.785 -16.363) 16.607 ======================= Grid point 861 (156/189) ======================= q-point: ( 0.27 0.09 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.183 ( -0.881 0.651 14.110) 14.152 5.375 ( 5.215 -1.735 10.916) 12.221 6.121 ( -16.298 -15.263 -18.016) 28.691 6.927 ( -15.507 18.614 -17.909) 30.128 8.736 ( -2.191 -0.115 28.003) 28.089 9.281 ( -8.564 -1.264 4.698) 9.850 9.475 ( 1.477 -1.559 -1.767) 2.781 10.495 ( -12.552 -4.406 -25.709) 28.947 11.619 ( 17.830 -2.536 33.873) 38.363 12.214 ( 9.880 3.152 20.377) 22.864 15.300 ( -20.839 -17.753 -3.469) 27.594 16.165 ( -29.543 19.989 -5.529) 36.096 18.104 ( 2.764 -9.935 8.547) 13.394 18.438 ( 0.058 5.640 8.692) 10.362 19.959 ( 7.273 -21.230 4.564) 22.900 20.911 ( -8.461 -7.275 -12.572) 16.810 22.346 ( 13.114 10.449 8.808) 18.941 23.109 ( -0.604 4.979 -14.227) 15.086 ======================= Grid point 862 (157/189) ======================= q-point: ( 0.36 0.09 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.202 ( 3.015 -0.416 9.410) 9.890 5.536 ( 10.675 2.345 3.305) 11.418 5.799 ( -14.873 -11.614 -11.235) 21.962 6.567 ( -18.950 18.754 -14.631) 30.412 8.707 ( -0.214 0.576 21.901) 21.909 9.080 ( -10.517 -0.449 5.980) 12.107 9.549 ( 5.834 -2.020 -9.492) 11.323 10.224 ( -13.577 -4.014 -23.678) 27.588 11.981 ( 16.617 -3.848 31.646) 35.950 12.378 ( 5.490 0.733 23.019) 23.676 14.972 ( -10.413 -9.360 -2.532) 14.228 15.574 ( -26.681 16.017 -4.501) 31.444 18.188 ( 5.018 -5.429 8.744) 11.451 18.427 ( -1.247 5.081 8.955) 10.371 20.108 ( 7.263 -22.245 1.500) 23.449 20.697 ( -11.496 -13.868 -8.675) 19.994 22.611 ( 12.127 10.312 2.661) 16.140 23.075 ( -2.828 6.619 -11.105) 13.234 ======================= Grid point 863 (158/189) ======================= q-point: ( 0.45 0.09 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.313 ( 7.815 -3.358 3.226) 9.097 5.520 ( -12.090 -7.370 -3.967) 14.704 5.811 ( 15.862 8.670 -4.217) 18.562 6.173 ( -18.874 14.876 -10.328) 26.157 8.744 ( 4.063 0.741 15.478) 16.020 8.876 ( -8.638 0.282 9.742) 13.023 9.713 ( 9.970 -2.677 -16.070) 19.100 9.950 ( -12.762 -3.418 -20.764) 24.611 12.272 ( 11.079 -3.259 29.293) 31.488 12.414 ( -2.447 -1.507 26.339) 26.496 14.897 ( 3.488 -0.131 -2.750) 4.444 15.114 ( -17.191 8.729 -3.572) 19.608 18.295 ( 4.997 -0.789 9.093) 10.406 18.382 ( -3.274 2.901 9.186) 10.175 20.267 ( 8.544 -20.916 -1.958) 22.679 20.465 ( -10.696 -18.186 -5.365) 21.769 22.832 ( 9.221 9.051 -2.607) 13.181 22.987 ( -5.884 7.840 -7.181) 12.151 ======================= Grid point 871 (159/189) ======================= q-point: ( 0.18 0.18 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.242 ( -2.251 -2.251 15.024) 15.357 5.257 ( 2.078 2.078 11.441) 11.813 6.130 ( -15.099 -15.099 -18.830) 28.470 7.339 ( 2.166 2.166 -17.186) 17.457 8.760 ( -1.357 -1.357 29.110) 29.173 9.359 ( -3.347 -3.347 0.509) 4.761 9.443 ( -2.477 -2.477 5.738) 6.723 10.586 ( -8.901 -8.901 -26.307) 29.163 11.363 ( 7.137 7.137 34.220) 35.677 12.138 ( 7.660 7.660 20.169) 22.894 15.329 ( -20.563 -20.563 -4.253) 29.390 16.894 ( -1.506 -1.506 -7.097) 7.410 17.834 ( -10.205 -10.205 6.973) 16.028 18.510 ( 3.213 3.213 8.378) 9.531 19.576 ( -7.265 -7.265 7.429) 12.679 20.919 ( -9.991 -9.991 -12.111) 18.610 22.327 ( 13.324 13.324 10.210) 21.432 23.174 ( 3.241 3.241 -15.115) 15.794 ======================= Grid point 872 (160/189) ======================= q-point: ( 0.27 0.18 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.183 ( -2.211 -1.548 11.969) 12.270 5.382 ( 9.595 4.256 4.743) 11.518 5.840 ( -13.215 -12.240 -12.410) 21.873 7.254 ( -10.162 11.777 -13.221) 20.414 8.733 ( -1.116 -0.133 23.464) 23.491 9.253 ( -7.359 -1.252 0.592) 7.488 9.418 ( 0.792 -4.133 -0.276) 4.218 10.369 ( -11.924 -7.640 -24.187) 28.028 11.578 ( 13.404 -0.655 32.117) 34.808 12.290 ( 6.674 3.984 21.610) 22.966 14.980 ( -12.685 -12.618 -3.483) 18.228 16.570 ( -27.145 18.932 -5.899) 33.617 17.810 ( 6.825 -19.188 5.176) 21.013 18.554 ( 0.945 5.436 8.607) 10.224 19.520 ( 1.016 -18.721 6.350) 19.795 20.636 ( -16.333 -18.565 -8.937) 26.293 22.607 ( 13.181 13.633 5.444) 19.729 23.226 ( 1.584 5.795 -13.049) 14.366 ======================= Grid point 873 (161/189) ======================= q-point: ( 0.36 0.18 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.165 ( 0.722 -3.275 8.605) 9.235 5.568 ( -8.341 -8.492 -2.860) 12.242 5.672 ( 13.676 8.955 -4.786) 17.033 6.950 ( -18.589 17.174 -10.491) 27.396 8.724 ( 0.504 1.070 17.727) 17.767 9.072 ( -9.548 -0.039 3.477) 10.162 9.480 ( 5.166 -4.916 -8.061) 10.763 10.109 ( -13.053 -6.888 -21.702) 26.245 11.884 ( 15.518 -5.044 30.216) 34.340 12.390 ( 2.383 0.246 23.809) 23.929 14.833 ( -1.046 -3.393 -3.414) 4.926 15.941 ( -31.422 19.755 -4.970) 37.447 18.017 ( 11.842 -12.515 5.509) 18.089 18.542 ( -2.373 5.900 9.142) 11.136 19.588 ( 5.230 -25.477 3.170) 26.201 20.287 ( -16.926 -24.986 -6.974) 30.974 22.853 ( 10.650 12.119 1.200) 16.178 23.231 ( -1.305 7.646 -10.146) 12.771 ======================= Grid point 874 (162/189) ======================= q-point: ( 0.45 0.18 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.222 ( 4.884 -5.309 4.528) 8.518 5.364 ( -8.842 -7.555 0.064) 11.630 6.065 ( 21.581 15.515 -6.557) 27.376 6.523 ( -22.253 18.121 -8.745) 30.001 8.766 ( 3.905 1.516 12.359) 13.049 8.888 ( -7.819 0.987 7.410) 10.818 9.628 ( 9.143 -5.656 -14.141) 17.764 9.848 ( -12.036 -6.344 -18.586) 23.034 12.179 ( 12.378 -5.641 28.482) 31.563 12.364 ( -5.219 -3.408 26.406) 27.131 14.954 ( 12.890 6.243 -4.028) 14.878 15.350 ( -24.965 14.484 -4.548) 29.218 18.259 ( 11.026 -3.652 7.343) 13.741 18.447 ( -6.990 3.116 8.910) 11.746 19.733 ( 9.076 -28.814 -0.943) 30.224 19.967 ( -13.722 -28.770 -4.597) 32.205 23.043 ( 7.747 10.445 -2.837) 13.310 23.170 ( -4.600 9.034 -6.659) 12.129 ======================= Grid point 883 (163/189) ======================= q-point: ( 0.27 0.27 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.127 ( -3.067 -3.067 9.398) 10.351 5.540 ( 3.076 3.076 0.194) 4.354 5.642 ( 0.471 0.471 -7.604) 7.633 7.370 ( -0.886 -0.886 -7.808) 7.908 8.735 ( 0.418 0.418 17.115) 17.125 9.225 ( -2.957 -2.957 -5.919) 7.247 9.322 ( -3.289 -3.289 2.519) 5.290 10.184 ( -10.349 -10.349 -22.382) 26.743 11.622 ( 5.409 5.409 31.134) 32.060 12.363 ( 2.630 2.630 22.866) 23.167 14.808 ( -3.545 -3.545 -3.806) 6.295 16.846 ( -0.743 -0.743 -7.447) 7.520 17.412 ( -9.756 -9.756 3.239) 14.172 18.649 ( 3.363 3.363 8.337) 9.598 19.242 ( -8.460 -8.460 8.859) 14.888 20.194 ( -23.431 -23.431 -7.616) 34.001 22.871 ( 11.645 11.645 2.600) 16.672 23.326 ( 3.579 3.579 -11.191) 12.282 ======================= Grid point 884 (164/189) ======================= q-point: ( 0.36 0.27 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.083 ( -0.799 -4.210 6.245) 7.574 5.381 ( -9.296 -8.877 -1.022) 12.894 5.961 ( 20.829 17.759 -4.877) 27.803 7.224 ( -12.783 8.539 -4.285) 15.958 8.755 ( 1.663 2.053 11.355) 11.658 9.089 ( -8.424 1.963 -0.982) 8.705 9.347 ( 4.552 -7.747 -5.604) 10.589 9.949 ( -12.247 -8.588 -19.866) 24.868 11.799 ( 11.242 -2.599 29.879) 32.029 12.376 ( -1.944 -2.021 24.795) 24.953 14.857 ( 8.745 6.255 -4.749) 11.754 16.387 ( -32.690 23.652 -5.600) 40.736 17.624 ( 20.486 -26.046 0.570) 33.141 18.663 ( -3.075 5.775 8.863) 11.017 19.148 ( -1.210 -16.819 7.806) 18.582 19.718 ( -21.735 -29.173 -6.800) 37.010 23.081 ( 8.844 9.782 -0.194) 13.189 23.365 ( 0.159 5.129 -8.713) 10.111 ======================= Grid point 885 (165/189) ======================= q-point: ( 0.45 0.27 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.106 ( 3.131 -5.718 3.348) 7.329 5.211 ( -6.973 -7.324 1.092) 10.171 6.422 ( 23.108 18.414 -4.571) 29.899 6.876 ( -20.295 15.274 -3.743) 25.675 8.811 ( 4.017 2.975 7.106) 8.688 8.925 ( -7.043 2.825 3.277) 8.266 9.486 ( 8.743 -7.905 -11.800) 16.679 9.699 ( -11.689 -7.917 -16.406) 21.644 12.050 ( 12.331 -6.541 28.381) 31.628 12.270 ( -8.336 -5.875 26.776) 28.652 15.171 ( 21.537 15.196 -5.504) 26.927 15.717 ( -30.765 21.398 -5.599) 37.891 18.077 ( 22.209 -16.233 2.530) 27.625 18.478 ( -15.270 -1.796 7.033) 16.908 19.184 ( 4.693 -22.282 3.262) 23.003 19.355 ( -12.738 -28.100 -2.855) 30.985 23.235 ( 6.172 8.035 -3.055) 10.583 23.333 ( -3.249 6.514 -5.926) 9.386 ======================= Grid point 895 (166/189) ======================= q-point: ( 0.36 0.36 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.012 ( -2.328 -2.328 3.303) 4.664 5.208 ( -7.831 -7.831 -0.053) 11.075 6.368 ( 20.945 20.945 -3.052) 29.778 7.281 ( -2.962 -2.962 1.121) 4.336 8.810 ( 3.305 3.305 5.105) 6.922 9.151 ( -0.101 -0.101 -9.344) 9.345 9.189 ( -2.942 -2.942 0.081) 4.161 9.756 ( -10.292 -10.292 -18.249) 23.342 11.802 ( 3.317 3.317 29.897) 30.263 12.293 ( -6.202 -6.202 26.206) 27.635 15.104 ( 17.865 17.865 -6.018) 25.972 16.833 ( 0.055 0.055 -7.896) 7.896 17.068 ( -6.689 -6.689 -0.677) 9.484 18.773 ( 2.525 2.525 8.623) 9.333 18.806 ( -19.163 -19.163 6.666) 27.909 19.187 ( -18.197 -18.197 -3.124) 25.924 23.253 ( 6.974 6.974 -1.700) 10.009 23.435 ( 1.590 1.590 -6.941) 7.296 ======================= Grid point 896 (167/189) ======================= q-point: ( 0.45 0.36 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.000 ( 1.393 -4.198 0.982) 4.531 5.070 ( -5.299 -6.130 0.039) 8.103 6.786 ( 18.933 16.177 0.303) 24.905 7.116 ( -12.588 7.536 2.529) 14.888 8.892 ( 4.768 4.826 1.152) 6.881 9.011 ( -6.885 5.505 -1.673) 8.973 9.319 ( 9.138 -7.814 -10.505) 15.966 9.532 ( -11.118 -8.175 -15.368) 20.655 11.931 ( 8.692 -4.423 29.087) 30.679 12.127 ( -9.515 -7.722 27.698) 30.288 15.581 ( 28.040 24.542 -6.457) 37.819 16.227 ( -33.966 28.087 -6.121) 44.498 17.566 ( 30.965 -31.762 -3.161) 44.471 18.219 ( -31.816 -25.890 -0.931) 41.029 18.876 ( 4.613 -6.241 7.498) 10.791 18.977 ( -5.816 -8.601 5.309) 11.662 23.369 ( 4.406 5.054 -3.335) 7.489 23.433 ( -1.679 3.211 -5.096) 6.252 ======================= Grid point 907 (168/189) ======================= q-point: ( 0.45 0.45 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.946 ( -0.810 -0.810 -0.921) 1.470 4.971 ( -3.209 -3.209 -1.169) 4.686 7.058 ( 9.815 9.815 5.035) 14.765 7.177 ( -1.564 -1.564 6.200) 6.582 9.002 ( 5.665 5.665 -2.302) 8.336 9.100 ( -1.188 -1.188 -1.150) 2.036 9.221 ( 2.464 2.464 -15.052) 15.450 9.363 ( -8.233 -8.233 -15.111) 19.076 11.893 ( 1.108 1.108 29.587) 29.628 11.975 ( -6.371 -6.371 28.924) 30.295 16.165 ( 31.765 31.765 -6.528) 45.395 16.840 ( 0.155 0.155 -8.195) 8.198 16.880 ( -2.345 -2.345 -3.183) 4.596 17.562 ( -34.634 -34.634 -4.648) 49.200 18.846 ( 0.942 0.942 8.894) 8.993 18.881 ( -2.480 -2.480 8.363) 9.069 23.445 ( 2.368 2.368 -3.744) 5.023 23.467 ( 0.242 0.242 -4.334) 4.348 ======================= Grid point 968 (169/189) ======================= q-point: ( 0.00 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.650 ( 0.000 -0.000 10.941) 10.941 5.650 ( 0.000 0.000 10.941) 10.941 6.757 ( 0.000 0.000 -13.222) 13.222 6.757 ( 0.000 0.000 -13.222) 13.222 9.627 ( 0.000 0.000 36.996) 36.996 9.685 ( 0.000 -0.000 3.634) 3.634 9.685 ( -0.000 0.000 3.634) 3.634 10.349 ( 0.000 0.000 -33.775) 33.775 11.513 ( 0.000 0.000 23.251) 23.251 11.784 ( -0.000 -0.000 -3.158) 3.158 16.882 ( 0.000 0.000 -2.673) 2.673 16.882 ( 0.000 0.000 -2.673) 2.673 18.481 ( 0.000 0.000 3.072) 3.072 18.481 ( 0.000 0.000 3.072) 3.072 19.931 ( 0.000 0.000 14.394) 14.394 20.258 ( 0.000 0.000 -17.149) 17.149 22.330 ( 0.000 0.000 18.054) 18.054 22.711 ( 0.000 0.000 -18.959) 18.959 ======================= Grid point 969 (170/189) ======================= q-point: ( 0.09 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.629 ( -2.064 0.000 11.636) 11.817 5.644 ( -0.551 0.000 10.435) 10.450 6.660 ( -9.117 0.000 -12.594) 15.547 6.677 ( -7.422 0.000 -13.979) 15.827 9.588 ( -3.550 0.000 33.562) 33.750 9.651 ( -3.311 0.000 3.226) 4.623 9.655 ( -2.990 0.000 6.038) 6.738 10.303 ( -4.497 0.000 -33.146) 33.450 11.612 ( 9.330 0.000 22.571) 24.423 11.873 ( 8.298 0.000 -2.777) 8.750 16.675 ( -18.889 0.000 -1.368) 18.938 16.699 ( -16.950 0.000 -3.618) 17.332 18.449 ( -2.539 0.000 3.828) 4.594 18.464 ( -1.335 0.000 2.341) 2.694 20.038 ( 9.030 0.000 14.005) 16.664 20.362 ( 8.739 0.000 -17.433) 19.501 22.339 ( 0.990 0.000 17.973) 18.001 22.714 ( 0.354 0.000 -18.602) 18.605 ======================= Grid point 970 (171/189) ======================= q-point: ( 0.18 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.567 ( -3.845 0.000 13.049) 13.604 5.628 ( -0.987 0.000 8.616) 8.672 6.408 ( -14.600 0.000 -10.651) 18.072 6.475 ( -11.643 0.000 -15.524) 19.405 9.492 ( -5.636 0.000 31.164) 31.670 9.550 ( -6.439 0.000 2.705) 6.984 9.564 ( -5.571 0.000 4.761) 7.328 10.169 ( -8.272 0.000 -31.504) 32.572 11.871 ( 15.123 0.000 20.819) 25.732 12.101 ( 13.198 0.000 -1.553) 13.289 16.180 ( -27.380 0.000 0.992) 27.398 16.244 ( -25.663 0.000 -5.079) 26.161 18.403 ( -1.505 0.000 4.910) 5.136 18.441 ( -0.679 0.000 1.244) 1.417 20.237 ( 9.089 0.000 12.753) 15.660 20.544 ( 7.519 0.000 -17.201) 18.772 22.381 ( 3.349 0.000 16.782) 17.113 22.728 ( 1.059 0.000 -17.191) 17.224 ======================= Grid point 971 (172/189) ======================= q-point: ( 0.27 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.478 ( -4.485 0.000 13.150) 13.894 5.605 ( -1.251 0.000 4.400) 4.575 6.094 ( -15.138 0.000 -6.679) 16.546 6.226 ( -12.024 0.000 -15.773) 19.833 9.358 ( -7.363 0.000 30.715) 31.585 9.394 ( -8.355 0.000 3.656) 9.120 9.450 ( -4.755 0.000 -2.029) 5.170 9.972 ( -10.624 0.000 -29.252) 31.121 12.203 ( 16.469 0.000 18.389) 24.686 12.385 ( 13.774 0.000 0.646) 13.789 15.619 ( -25.907 0.000 2.676) 26.045 15.706 ( -25.500 0.000 -5.544) 26.095 18.392 ( 0.377 0.000 5.278) 5.292 18.438 ( 0.379 0.000 0.825) 0.908 20.382 ( 4.920 0.000 10.125) 11.257 20.637 ( 1.351 0.000 -14.634) 14.696 22.478 ( 5.874 0.000 12.988) 14.255 22.756 ( 1.505 0.000 -14.204) 14.283 ======================= Grid point 972 (173/189) ======================= q-point: ( 0.36 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.400 ( -2.685 0.000 9.674) 10.040 5.569 ( -2.943 0.000 -4.255) 5.174 5.827 ( -9.410 0.000 1.407) 9.514 5.998 ( -9.826 0.000 -12.551) 15.940 9.205 ( -6.847 0.000 25.070) 25.988 9.226 ( -7.444 0.000 7.113) 10.296 9.389 ( -0.924 0.000 -7.256) 7.315 9.748 ( -10.845 0.000 -26.052) 28.219 12.520 ( 13.733 0.000 15.471) 20.687 12.640 ( 10.345 0.000 3.809) 11.024 15.160 ( -17.916 0.000 2.745) 18.125 15.237 ( -19.278 0.000 -4.568) 19.812 18.414 ( 1.570 0.000 4.900) 5.145 18.452 ( 0.768 0.000 1.282) 1.494 20.448 ( 2.000 0.000 5.976) 6.301 20.614 ( -2.930 0.000 -10.044) 10.462 22.606 ( 6.160 0.000 7.269) 9.528 22.781 ( 0.682 0.000 -9.772) 9.796 ======================= Grid point 973 (174/189) ======================= q-point: ( 0.45 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.386 ( 1.659 0.000 2.581) 3.069 5.467 ( -5.739 0.000 -5.665) 8.064 5.750 ( 1.120 0.000 2.392) 2.642 5.831 ( -6.302 0.000 -5.793) 8.560 9.104 ( -2.544 0.000 18.790) 18.962 9.111 ( -3.256 0.000 12.564) 12.979 9.418 ( 3.869 0.000 -14.148) 14.668 9.546 ( -8.345 0.000 -20.990) 22.588 12.738 ( 6.864 0.000 11.977) 13.804 12.781 ( 2.760 0.000 7.812) 8.285 14.913 ( -5.498 0.000 0.778) 5.552 14.945 ( -8.432 0.000 -2.232) 8.722 18.446 ( 1.330 0.000 3.876) 4.098 18.461 ( -0.057 0.000 2.472) 2.473 20.486 ( 2.082 0.000 0.805) 2.233 20.543 ( -3.447 0.000 -4.708) 5.835 22.715 ( 4.226 0.000 1.235) 4.403 22.774 ( -1.509 0.000 -4.499) 4.745 ======================= Grid point 980 (175/189) ======================= q-point: ( 0.09 0.09 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.607 ( -2.169 -2.169 9.382) 9.871 5.631 ( -1.248 -1.248 13.393) 13.509 6.357 ( -16.280 -16.280 -15.793) 27.919 6.852 ( 4.291 4.291 -11.500) 13.003 9.550 ( -3.504 -3.504 31.905) 32.288 9.592 ( -4.243 -4.243 2.810) 6.626 9.652 ( -1.718 -1.718 6.604) 7.036 10.259 ( -4.220 -4.220 -32.414) 32.959 11.657 ( 5.008 5.008 19.450) 20.699 11.977 ( 9.149 9.149 0.114) 12.939 16.253 ( -24.639 -24.639 -2.101) 34.907 16.853 ( -1.295 -1.295 -2.697) 3.260 18.323 ( -7.348 -7.348 2.977) 10.810 18.521 ( 1.877 1.877 3.014) 4.017 19.941 ( -3.547 -3.547 7.055) 8.657 20.555 ( 12.023 12.023 -10.674) 20.076 22.349 ( 1.402 1.402 17.044) 17.159 22.733 ( 1.712 1.712 -17.492) 17.659 ======================= Grid point 981 (176/189) ======================= q-point: ( 0.18 0.09 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.538 ( -4.496 -2.606 10.594) 11.800 5.598 ( -1.739 -3.308 12.372) 12.924 6.039 ( -14.007 -16.820 -17.344) 27.927 6.835 ( -5.872 16.054 -10.201) 19.907 9.453 ( -5.808 -3.541 28.988) 29.775 9.483 ( -6.117 -4.565 1.901) 7.866 9.582 ( -4.975 -0.262 6.098) 7.874 10.133 ( -7.892 -3.530 -30.524) 31.725 11.832 ( 11.942 -1.506 16.223) 20.200 12.207 ( 12.381 8.174 2.876) 15.112 15.730 ( -25.156 -23.540 -1.500) 34.485 16.616 ( -20.784 15.696 -2.549) 26.169 18.211 ( -2.540 -13.122 2.821) 13.660 18.547 ( 0.781 4.728 2.924) 5.614 19.951 ( 3.624 -16.792 4.636) 17.793 20.724 ( 3.370 6.970 -8.465) 11.471 22.415 ( 5.269 4.065 14.711) 16.147 22.778 ( 2.484 4.238 -15.355) 16.121 ======================= Grid point 982 (177/189) ======================= q-point: ( 0.27 0.09 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.436 ( -4.828 -3.624 9.945) 11.634 5.571 ( -0.687 -3.917 7.496) 8.485 5.795 ( -9.729 -11.964 -13.310) 20.370 6.632 ( -13.149 22.304 -8.962) 27.399 9.314 ( -7.483 -3.666 20.116) 21.774 9.357 ( -6.241 -3.460 8.956) 11.452 9.463 ( -5.771 0.459 1.545) 5.991 9.943 ( -10.267 -2.797 -27.992) 29.946 12.124 ( 15.698 -5.267 14.216) 21.823 12.461 ( 11.926 5.328 4.630) 13.858 15.261 ( -19.699 -17.931 -0.728) 26.648 16.084 ( -28.745 20.091 -2.146) 35.136 18.219 ( 2.790 -12.135 2.760) 12.754 18.556 ( 0.144 6.113 2.888) 6.762 20.047 ( 5.004 -22.610 3.218) 23.379 20.696 ( -5.328 -2.539 -6.777) 8.986 22.554 ( 7.587 7.424 10.967) 15.263 22.829 ( 2.395 6.253 -12.701) 14.358 ======================= Grid point 983 (178/189) ======================= q-point: ( 0.36 0.09 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.364 ( -1.752 -2.712 5.935) 6.756 5.557 ( -3.008 -1.231 -3.209) 4.567 5.658 ( -1.035 -7.103 -0.829) 7.226 6.326 ( -15.811 21.587 -7.281) 27.731 9.169 ( -6.076 -2.722 15.762) 17.110 9.219 ( -6.822 -1.564 13.878) 15.543 9.384 ( -1.461 -0.538 -6.363) 6.551 9.726 ( -10.505 -2.147 -24.610) 26.844 12.444 ( 14.570 -5.821 12.617) 20.133 12.676 ( 8.321 2.135 6.481) 10.761 14.947 ( -10.212 -10.062 -0.289) 14.339 15.509 ( -25.903 16.063 -1.702) 30.527 18.306 ( 5.309 -7.259 2.878) 9.442 18.549 ( -1.027 5.635 2.968) 6.451 20.143 ( 4.388 -23.162 1.556) 23.625 20.544 ( -8.627 -10.999 -4.987) 14.841 22.704 ( 6.605 8.739 6.171) 12.573 22.868 ( 1.165 7.488 -8.973) 11.744 ======================= Grid point 984 (179/189) ======================= q-point: ( 0.45 0.09 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.369 ( 2.195 -1.994 1.955) 3.552 5.449 ( -5.318 -2.341 -2.385) 6.281 5.764 ( 9.340 4.473 -0.838) 10.390 6.011 ( -14.262 14.830 -4.656) 21.095 9.084 ( -1.725 -1.546 14.696) 14.877 9.105 ( -3.638 -0.963 14.458) 14.940 9.407 ( 3.693 -1.175 -13.273) 13.827 9.530 ( -8.097 -1.591 -19.668) 21.329 12.690 ( 8.633 -4.143 10.900) 14.509 12.774 ( 0.627 -1.125 8.747) 8.841 14.866 ( 2.735 -0.959 -0.589) 2.957 15.065 ( -16.358 8.346 -1.199) 18.403 18.419 ( 5.217 -1.658 3.056) 6.269 18.507 ( -3.178 2.993 3.086) 5.346 20.239 ( 5.297 -21.066 -0.621) 21.730 20.371 ( -7.644 -17.119 -2.963) 18.981 22.815 ( 4.084 8.646 0.917) 9.606 22.869 ( -1.221 8.190 -4.261) 9.313 ======================= Grid point 992 (180/189) ======================= q-point: ( 0.18 0.18 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.470 ( -4.404 -4.404 6.440) 8.959 5.493 ( -5.019 -5.019 11.950) 13.899 5.783 ( -8.499 -8.499 -14.883) 19.131 7.059 ( 5.096 5.096 -8.142) 10.873 9.359 ( -5.479 -5.479 25.641) 26.786 9.371 ( -6.015 -6.015 0.425) 8.517 9.543 ( -3.461 -3.461 6.451) 8.097 10.026 ( -6.780 -6.780 -28.136) 29.725 11.864 ( 5.087 5.087 13.561) 15.351 12.389 ( 9.109 9.109 5.173) 13.882 15.277 ( -19.807 -19.807 -1.114) 28.034 16.789 ( -1.591 -1.591 -2.765) 3.564 17.925 ( -11.293 -11.293 2.167) 16.117 18.627 ( 3.139 3.139 2.916) 5.311 19.696 ( -7.460 -7.460 3.610) 11.151 20.720 ( -6.957 -6.957 -5.910) 11.477 22.558 ( 9.183 9.183 11.563) 17.388 22.878 ( 5.088 5.088 -13.169) 15.006 ======================= Grid point 993 (181/189) ======================= q-point: ( 0.27 0.18 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.361 ( -4.618 -3.577 5.033) 7.711 5.473 ( 3.024 -2.639 3.857) 5.567 5.637 ( -6.705 -5.618 -6.928) 11.158 7.033 ( -7.404 15.511 -6.460) 18.361 9.227 ( -6.689 -4.492 13.502) 15.723 9.260 ( -4.999 -5.649 8.458) 11.333 9.448 ( -5.282 -2.103 4.332) 7.148 9.859 ( -9.296 -5.398 -25.166) 27.365 12.042 ( 11.774 -1.999 12.248) 17.106 12.570 ( 8.232 5.076 6.277) 11.530 14.942 ( -12.221 -12.548 -0.665) 17.529 16.483 ( -26.019 18.236 -2.332) 31.859 17.876 ( 6.011 -21.431 1.506) 22.309 18.673 ( 1.244 5.241 2.961) 6.146 19.623 ( -0.560 -16.764 3.088) 17.056 20.485 ( -14.623 -16.779 -4.610) 22.729 22.754 ( 9.094 10.836 8.542) 16.525 22.976 ( 4.267 7.389 -11.133) 14.027 ======================= Grid point 994 (182/189) ======================= q-point: ( 0.36 0.18 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.291 ( -2.013 -4.983 3.408) 6.364 5.494 ( -6.911 -5.278 -2.561) 9.065 5.637 ( 12.610 6.407 -0.277) 14.146 6.779 ( -16.517 21.191 -4.918) 27.314 9.105 ( -4.757 -3.284 11.627) 12.985 9.159 ( -4.936 -4.004 10.137) 11.964 9.360 ( -2.463 -2.063 -2.376) 3.996 9.659 ( -9.769 -4.375 -21.563) 24.073 12.317 ( 14.100 -5.963 11.281) 19.016 12.709 ( 4.648 1.071 7.578) 8.954 14.796 ( -1.478 -4.198 -0.669) 4.501 15.870 ( -30.911 19.244 -1.860) 36.460 18.085 ( 12.748 -15.673 1.512) 20.260 18.668 ( -2.162 5.862 3.112) 6.981 19.645 ( 2.355 -22.737 1.879) 22.935 20.167 ( -15.367 -24.368 -3.746) 29.052 22.914 ( 6.433 10.576 4.743) 13.257 23.045 ( 2.239 8.901 -7.901) 12.111 ======================= Grid point 995 (183/189) ======================= q-point: ( 0.45 0.18 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.288 ( 1.771 -5.891 1.747) 6.395 5.363 ( -5.384 -5.885 -0.101) 7.977 5.972 ( 19.228 15.524 -2.370) 24.826 6.390 ( -20.545 20.961 -3.637) 29.575 9.045 ( -0.933 -2.254 11.448) 11.705 9.069 ( -3.186 -2.377 11.546) 12.211 9.366 ( 3.038 -2.973 -10.418) 11.252 9.477 ( -7.496 -3.675 -16.740) 18.707 12.582 ( 10.836 -6.089 10.342) 16.169 12.730 ( -3.089 -3.151 9.120) 10.132 14.903 ( 12.198 5.122 -1.149) 13.279 15.287 ( -24.527 13.630 -1.558) 28.103 18.354 ( 12.540 -5.877 2.226) 14.027 18.568 ( -7.758 2.549 2.968) 8.689 19.722 ( 5.551 -26.797 -0.147) 27.366 19.890 ( -11.007 -28.126 -2.377) 30.296 23.017 ( 3.607 10.025 0.422) 10.663 23.062 ( -0.660 9.606 -3.824) 10.360 ======================= Grid point 1004 (184/189) ======================= q-point: ( 0.27 0.27 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.260 ( -5.537 -5.537 3.436) 8.551 5.512 ( -6.808 -6.808 -2.294) 9.897 5.564 ( 11.167 11.167 -0.473) 15.800 7.228 ( 2.869 2.869 -4.339) 5.941 9.135 ( -4.994 -4.994 17.959) 19.298 9.144 ( -4.561 -4.561 -2.005) 6.755 9.379 ( -4.380 -4.380 4.749) 7.805 9.723 ( -7.810 -7.810 -22.093) 24.700 12.065 ( 4.518 4.518 11.448) 13.110 12.666 ( 4.045 4.045 7.125) 9.137 14.766 ( -4.079 -4.079 -0.741) 5.816 16.737 ( -0.880 -0.880 -2.878) 3.136 17.451 ( -11.153 -11.153 0.828) 15.794 18.765 ( 3.418 3.418 2.911) 5.643 19.381 ( -7.442 -7.442 4.044) 11.275 20.062 ( -23.139 -23.139 -4.159) 32.986 22.960 ( 8.742 8.742 6.091) 13.781 23.116 ( 5.997 5.997 -9.166) 12.487 ======================= Grid point 1005 (185/189) ======================= q-point: ( 0.36 0.27 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.165 ( -3.200 -6.637 1.954) 7.623 5.359 ( -7.666 -7.639 -0.797) 10.852 5.900 ( 20.592 18.260 -1.343) 27.555 7.147 ( -10.474 13.451 -2.361) 17.211 9.039 ( -3.582 -3.094 10.823) 11.813 9.072 ( -2.967 -3.876 2.349) 5.417 9.294 ( -3.040 -4.230 1.246) 5.356 9.547 ( -8.838 -6.382 -18.586) 21.547 12.222 ( 10.201 -2.753 10.853) 15.147 12.714 ( -0.062 -0.885 8.272) 8.319 14.798 ( 7.791 5.068 -1.270) 9.381 16.304 ( -32.133 23.031 -2.204) 39.596 17.624 ( 20.216 -28.859 -0.185) 35.236 18.786 ( -2.869 5.539 3.048) 6.943 19.280 ( -3.055 -12.711 4.442) 13.807 19.592 ( -20.711 -30.384 -4.469) 37.042 23.108 ( 5.803 8.039 2.812) 10.305 23.211 ( 3.042 6.920 -6.083) 9.702 ======================= Grid point 1006 (186/189) ======================= q-point: ( 0.45 0.27 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.143 ( 1.262 -7.649 0.706) 7.784 5.217 ( -5.674 -8.022 -0.117) 9.827 6.366 ( 23.641 21.713 -1.182) 32.121 6.825 ( -19.986 20.217 -1.242) 28.455 8.997 ( -0.445 -2.216 8.567) 8.860 9.017 ( -2.173 -2.349 5.904) 6.715 9.283 ( 2.249 -5.004 -6.699) 8.659 9.380 ( -6.903 -5.590 -13.688) 16.318 12.451 ( 11.179 -6.362 10.218) 16.427 12.644 ( -6.839 -5.325 9.415) 12.797 15.097 ( 21.056 14.138 -1.817) 25.427 15.638 ( -30.701 20.701 -2.031) 37.084 18.099 ( 24.446 -20.811 0.221) 32.106 18.566 ( -18.863 -5.388 1.934) 19.713 19.246 ( 0.010 -18.169 2.546) 18.346 19.304 ( -6.836 -24.572 -2.115) 25.593 23.201 ( 3.229 7.577 -0.266) 8.240 23.239 ( -0.339 7.275 -3.069) 7.904 ======================= Grid point 1016 (187/189) ======================= q-point: ( 0.36 0.36 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.044 ( -4.588 -4.588 0.478) 6.505 5.193 ( -8.031 -8.031 -0.756) 11.383 6.341 ( 23.523 23.523 -0.214) 33.267 7.297 ( 0.696 0.696 0.397) 1.062 8.982 ( -2.175 -2.175 9.453) 9.941 9.016 ( -1.641 -1.641 -3.486) 4.187 9.203 ( -3.859 -3.859 2.287) 5.917 9.402 ( -7.517 -7.517 -15.527) 18.818 12.222 ( 3.022 3.022 10.679) 11.502 12.657 ( -4.934 -4.934 9.102) 11.469 15.023 ( 17.023 17.023 -1.962) 24.154 16.718 ( -0.068 -0.068 -3.005) 3.007 17.052 ( -7.859 -7.859 -0.554) 11.129 18.883 ( -30.069 -30.069 1.357) 42.546 18.893 ( 2.634 2.634 3.004) 4.786 19.151 ( -6.857 -6.857 -0.551) 9.712 23.244 ( 5.245 5.245 0.755) 7.456 23.319 ( 3.458 3.458 -4.005) 6.321 ======================= Grid point 1017 (188/189) ======================= q-point: ( 0.45 0.36 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.995 ( 0.107 -6.206 -0.605) 6.237 5.052 ( -5.219 -7.517 -0.963) 9.202 6.815 ( 21.387 20.816 1.424) 29.878 7.173 ( -12.434 12.574 1.994) 17.796 8.962 ( 0.329 -0.921 4.713) 4.813 8.986 ( -1.589 -0.456 -0.588) 1.754 9.171 ( 1.394 -5.438 -3.138) 6.432 9.256 ( -6.218 -6.309 -10.777) 13.951 12.339 ( 7.871 -3.966 10.358) 13.601 12.515 ( -8.427 -6.911 9.825) 14.674 15.490 ( 27.908 24.049 -2.315) 36.913 16.138 ( -34.129 27.819 -2.347) 44.093 17.514 ( 31.316 -33.967 -1.499) 46.224 18.190 ( -33.951 -30.263 -1.083) 45.494 18.982 ( 3.952 -4.050 2.706) 6.273 19.058 ( -3.623 -5.003 2.191) 6.554 23.326 ( 2.727 4.604 -0.871) 5.422 23.354 ( 0.066 3.946 -2.337) 4.586 ======================= Grid point 1028 (189/189) ======================= q-point: ( 0.45 0.45 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.909 ( -1.759 -1.759 -1.539) 2.925 4.931 ( -3.778 -3.778 -1.642) 5.589 7.172 ( 12.780 12.780 4.092) 18.532 7.307 ( 0.010 0.010 4.527) 4.527 8.967 ( 1.366 1.366 -1.025) 2.187 8.992 ( 0.092 0.092 -6.375) 6.377 9.086 ( -1.587 -1.587 -0.058) 2.245 9.135 ( -5.021 -5.021 -6.501) 9.627 12.307 ( 1.050 1.050 10.451) 10.556 12.380 ( -5.657 -5.657 10.241) 12.996 16.070 ( 31.864 31.864 -2.477) 45.130 16.722 ( 0.109 0.109 -3.083) 3.087 16.830 ( -2.798 -2.798 -1.422) 4.204 17.491 ( -35.522 -35.522 -1.975) 50.275 18.970 ( 0.991 0.991 3.088) 3.391 18.998 ( -1.759 -1.759 2.947) 3.856 23.392 ( 1.867 1.867 -1.332) 2.958 23.403 ( 0.858 0.858 -1.783) 2.157 =================== 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 3/37026 10.0 658.460 658.460 1261.231 -0.000 -0.000 0.000 3/37026 20.0 1971.052 1971.052 2773.351 -0.000 0.000 0.000 3/37026 30.0 1518.091 1518.091 1844.303 -0.000 0.000 0.000 3/37026 40.0 934.365 934.365 1107.200 -0.000 0.000 0.000 3/37026 50.0 591.101 591.101 711.070 -0.000 0.000 0.000 3/37026 60.0 406.983 406.983 495.995 -0.000 0.000 0.000 3/37026 70.0 302.155 302.155 373.949 -0.000 0.000 0.000 3/37026 80.0 237.342 237.342 299.940 -0.000 0.000 0.000 3/37026 90.0 194.058 194.058 251.260 -0.000 0.000 0.000 3/37026 100.0 163.218 163.218 216.582 -0.000 -0.000 0.000 3/37026 110.0 140.109 140.109 190.220 -0.000 -0.000 0.000 3/37026 120.0 122.139 122.139 169.231 -0.000 -0.000 0.000 3/37026 130.0 107.785 107.785 152.002 -0.000 -0.000 0.000 3/37026 140.0 96.090 96.090 137.578 -0.000 -0.000 0.000 3/37026 150.0 86.416 86.416 125.343 -0.000 -0.000 0.000 3/37026 160.0 78.317 78.317 114.864 -0.000 -0.000 0.000 3/37026 170.0 71.467 71.467 105.821 -0.000 -0.000 0.000 3/37026 180.0 65.620 65.620 97.966 -0.000 -0.000 0.000 3/37026 190.0 60.588 60.588 91.101 -0.000 -0.000 0.000 3/37026 200.0 56.226 56.226 85.068 -0.000 -0.000 0.000 3/37026 210.0 52.419 52.419 79.738 -0.000 -0.000 0.000 3/37026 220.0 49.073 49.073 75.005 -0.000 -0.000 0.000 3/37026 230.0 46.116 46.116 70.781 -0.000 -0.000 0.000 3/37026 240.0 43.487 43.487 66.995 -0.000 -0.000 0.000 3/37026 250.0 41.138 41.138 63.585 -0.000 -0.000 0.000 3/37026 260.0 39.028 39.028 60.501 -0.000 -0.000 0.000 3/37026 270.0 37.123 37.123 57.701 -0.000 -0.000 0.000 3/37026 280.0 35.398 35.398 55.148 -0.000 -0.000 0.000 3/37026 290.0 33.827 33.827 52.814 -0.000 -0.000 0.000 3/37026 300.0 32.392 32.392 50.670 -0.000 -0.000 0.000 3/37026 310.0 31.076 31.076 48.697 -0.000 -0.000 0.000 3/37026 320.0 29.866 29.866 46.874 -0.000 -0.000 0.000 3/37026 330.0 28.749 28.749 45.186 -0.000 -0.000 0.000 3/37026 340.0 27.714 27.714 43.618 -0.000 -0.000 0.000 3/37026 350.0 26.754 26.754 42.158 -0.000 -0.000 0.000 3/37026 360.0 25.861 25.861 40.795 -0.000 -0.000 0.000 3/37026 370.0 25.027 25.027 39.520 -0.000 -0.000 0.000 3/37026 380.0 24.247 24.247 38.325 -0.000 -0.000 0.000 3/37026 390.0 23.517 23.517 37.202 -0.000 -0.000 0.000 3/37026 400.0 22.830 22.830 36.145 -0.000 -0.000 0.000 3/37026 410.0 22.184 22.184 35.149 -0.000 -0.000 0.000 3/37026 420.0 21.575 21.575 34.207 -0.000 -0.000 0.000 3/37026 430.0 21.000 21.000 33.317 -0.000 -0.000 0.000 3/37026 440.0 20.456 20.456 32.473 -0.000 -0.000 0.000 3/37026 450.0 19.941 19.941 31.673 -0.000 -0.000 0.000 3/37026 460.0 19.451 19.451 30.912 -0.000 -0.000 0.000 3/37026 470.0 18.987 18.987 30.189 -0.000 -0.000 0.000 3/37026 480.0 18.544 18.544 29.499 -0.000 -0.000 0.000 3/37026 490.0 18.123 18.123 28.841 -0.000 -0.000 0.000 3/37026 500.0 17.721 17.721 28.213 -0.000 -0.000 0.000 3/37026 510.0 17.337 17.337 27.613 -0.000 -0.000 0.000 3/37026 520.0 16.970 16.970 27.039 -0.000 -0.000 0.000 3/37026 530.0 16.619 16.619 26.488 -0.000 -0.000 0.000 3/37026 540.0 16.283 16.283 25.961 -0.000 -0.000 0.000 3/37026 550.0 15.960 15.960 25.454 -0.000 -0.000 0.000 3/37026 560.0 15.650 15.650 24.968 -0.000 -0.000 0.000 3/37026 570.0 15.353 15.353 24.500 -0.000 -0.000 0.000 3/37026 580.0 15.067 15.067 24.051 -0.000 -0.000 0.000 3/37026 590.0 14.792 14.792 23.617 -0.000 -0.000 0.000 3/37026 600.0 14.527 14.527 23.200 -0.000 -0.000 0.000 3/37026 610.0 14.272 14.272 22.798 -0.000 -0.000 0.000 3/37026 620.0 14.025 14.025 22.409 -0.000 -0.000 0.000 3/37026 630.0 13.788 13.788 22.034 -0.000 -0.000 0.000 3/37026 640.0 13.558 13.558 21.672 -0.000 -0.000 0.000 3/37026 650.0 13.337 13.337 21.322 -0.000 -0.000 0.000 3/37026 660.0 13.122 13.122 20.983 -0.000 -0.000 0.000 3/37026 670.0 12.915 12.915 20.655 -0.000 -0.000 0.000 3/37026 680.0 12.714 12.714 20.337 -0.000 -0.000 0.000 3/37026 690.0 12.520 12.520 20.030 -0.000 -0.000 0.000 3/37026 700.0 12.331 12.331 19.731 -0.000 -0.000 0.000 3/37026 710.0 12.149 12.149 19.442 -0.000 -0.000 0.000 3/37026 720.0 11.971 11.971 19.161 -0.000 -0.000 0.000 3/37026 730.0 11.799 11.799 18.889 -0.000 -0.000 0.000 3/37026 740.0 11.632 11.632 18.624 -0.000 -0.000 0.000 3/37026 750.0 11.470 11.470 18.367 -0.000 -0.000 0.000 3/37026 760.0 11.313 11.313 18.117 -0.000 -0.000 0.000 3/37026 770.0 11.159 11.159 17.873 -0.000 -0.000 0.000 3/37026 780.0 11.010 11.010 17.637 -0.000 -0.000 0.000 3/37026 790.0 10.865 10.865 17.406 -0.000 -0.000 0.000 3/37026 800.0 10.724 10.724 17.182 -0.000 -0.000 0.000 3/37026 810.0 10.586 10.586 16.964 -0.000 -0.000 0.000 3/37026 820.0 10.453 10.453 16.751 -0.000 -0.000 0.000 3/37026 830.0 10.322 10.322 16.543 -0.000 -0.000 0.000 3/37026 840.0 10.195 10.195 16.341 -0.000 -0.000 0.000 3/37026 850.0 10.071 10.071 16.144 -0.000 -0.000 0.000 3/37026 860.0 9.950 9.950 15.951 -0.000 -0.000 0.000 3/37026 870.0 9.832 9.832 15.763 -0.000 -0.000 0.000 3/37026 880.0 9.716 9.716 15.580 -0.000 -0.000 0.000 3/37026 890.0 9.604 9.604 15.400 -0.000 -0.000 0.000 3/37026 900.0 9.494 9.494 15.225 -0.000 -0.000 0.000 3/37026 910.0 9.386 9.386 15.054 -0.000 -0.000 0.000 3/37026 920.0 9.282 9.282 14.887 -0.000 -0.000 0.000 3/37026 930.0 9.179 9.179 14.724 -0.000 -0.000 0.000 3/37026 940.0 9.079 9.079 14.564 -0.000 -0.000 0.000 3/37026 950.0 8.981 8.981 14.408 -0.000 -0.000 0.000 3/37026 960.0 8.885 8.885 14.255 -0.000 -0.000 0.000 3/37026 970.0 8.791 8.791 14.105 -0.000 -0.000 0.000 3/37026 980.0 8.699 8.699 13.958 -0.000 -0.000 0.000 3/37026 990.0 8.609 8.609 13.815 -0.000 -0.000 0.000 3/37026 1000.0 8.521 8.521 13.674 -0.000 -0.000 0.000 3/37026 Thermal conductivity related properties were written into "kappa-m111117.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:34:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|