----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:58:33]------------------------- Compiled with OpenMP support (max 48 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.968082596051087 1.136273016617510 6.534597446666659 b -1.968082596051082 1.136273016617510 6.534597446666659 c 0.000000000000002 -2.272546033235023 6.534597446666659 Atomic positions (fractional): *1 O 0.12186858969295 0.12186858969295 0.12186858969295 15.999 2 O 0.87813141030705 0.87813141030705 0.87813141030705 15.999 *3 F 0.62992509978390 0.62992509978391 0.62992509978390 18.998 4 F 0.37007490021610 0.37007490021610 0.37007490021610 18.998 *5 Nd 0.24188104840848 0.24188104840848 0.24188104840848 144.242 6 Nd 0.75811895159152 0.75811895159152 0.75811895159152 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.936165192102169 0.000000000000000 0.000000000000000 b -1.968082596051084 3.408819049852533 0.000000000000000 c 0.000000000000000 0.000000000000000 19.603792339999998 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.12186858969295 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.21146474364038 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.45520192302628 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.54479807697372 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.78853525635962 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.87813141030705 15.999 > 2 *7 F 0.33333333333333 0.66666666666667 0.29659176645057 18.998 > 3 8 F 0.33333333333333 0.66666666666667 0.03674156688276 18.998 > 4 9 F 0.00000000000000 0.00000000000000 0.62992509978390 18.998 > 3 10 F 0.00000000000000 0.00000000000000 0.37007490021610 18.998 > 4 11 F 0.66666666666667 0.33333333333333 0.96325843311724 18.998 > 3 12 F 0.66666666666667 0.33333333333333 0.70340823354943 18.998 > 4 *13 Nd 0.00000000000000 0.00000000000000 0.24188104840848 144.242 > 5 14 Nd 0.66666666666667 0.33333333333333 0.09145228492486 144.242 > 6 15 Nd 0.66666666666667 0.33333333333333 0.57521438174181 144.242 > 5 16 Nd 0.33333333333333 0.66666666666667 0.42478561825819 144.242 > 6 17 Nd 0.33333333333333 0.66666666666667 0.90854771507514 144.242 > 5 18 Nd 0.00000000000000 0.00000000000000 0.75811895159152 144.242 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.872330384204338 0.000000000000000 0.000000000000000 b -3.936165192102168 6.817638099705066 0.000000000000000 c 0.000000000000000 0.000000000000000 19.603792339999998 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.12186858969295 15.999 > 1 2 O 0.50000000000000 0.00000000000000 0.12186858969295 15.999 > 1 3 O 0.00000000000000 0.50000000000000 0.12186858969295 15.999 > 1 4 O 0.50000000000000 0.50000000000000 0.12186858969295 15.999 > 1 5 O 0.33333333333333 0.16666666666667 0.21146474364038 15.999 > 2 6 O 0.83333333333333 0.16666666666667 0.21146474364038 15.999 > 2 7 O 0.33333333333333 0.66666666666667 0.21146474364038 15.999 > 2 8 O 0.83333333333333 0.66666666666667 0.21146474364038 15.999 > 2 9 O 0.33333333333333 0.16666666666667 0.45520192302628 15.999 > 1 10 O 0.83333333333333 0.16666666666667 0.45520192302628 15.999 > 1 11 O 0.33333333333333 0.66666666666667 0.45520192302628 15.999 > 1 12 O 0.83333333333333 0.66666666666667 0.45520192302628 15.999 > 1 13 O 0.16666666666667 0.33333333333333 0.54479807697372 15.999 > 2 14 O 0.66666666666667 0.33333333333333 0.54479807697372 15.999 > 2 15 O 0.16666666666667 0.83333333333333 0.54479807697372 15.999 > 2 16 O 0.66666666666667 0.83333333333333 0.54479807697372 15.999 > 2 17 O 0.16666666666667 0.33333333333333 0.78853525635962 15.999 > 1 18 O 0.66666666666667 0.33333333333333 0.78853525635962 15.999 > 1 19 O 0.16666666666667 0.83333333333333 0.78853525635962 15.999 > 1 20 O 0.66666666666667 0.83333333333333 0.78853525635962 15.999 > 1 21 O 0.00000000000000 0.00000000000000 0.87813141030705 15.999 > 2 22 O 0.50000000000000 0.00000000000000 0.87813141030705 15.999 > 2 23 O 0.00000000000000 0.50000000000000 0.87813141030705 15.999 > 2 24 O 0.50000000000000 0.50000000000000 0.87813141030705 15.999 > 2 *25 F 0.16666666666667 0.33333333333333 0.29659176645057 18.998 > 3 26 F 0.66666666666667 0.33333333333333 0.29659176645057 18.998 > 3 27 F 0.16666666666667 0.83333333333333 0.29659176645057 18.998 > 3 28 F 0.66666666666667 0.83333333333333 0.29659176645057 18.998 > 3 29 F 0.16666666666667 0.33333333333333 0.03674156688276 18.998 > 4 30 F 0.66666666666667 0.33333333333333 0.03674156688276 18.998 > 4 31 F 0.16666666666667 0.83333333333333 0.03674156688276 18.998 > 4 32 F 0.66666666666667 0.83333333333333 0.03674156688276 18.998 > 4 33 F 0.00000000000000 0.00000000000000 0.62992509978390 18.998 > 3 34 F 0.50000000000000 0.00000000000000 0.62992509978390 18.998 > 3 35 F 0.00000000000000 0.50000000000000 0.62992509978390 18.998 > 3 36 F 0.50000000000000 0.50000000000000 0.62992509978390 18.998 > 3 37 F 0.00000000000000 0.00000000000000 0.37007490021610 18.998 > 4 38 F 0.50000000000000 0.00000000000000 0.37007490021610 18.998 > 4 39 F 0.00000000000000 0.50000000000000 0.37007490021610 18.998 > 4 40 F 0.50000000000000 0.50000000000000 0.37007490021610 18.998 > 4 41 F 0.33333333333333 0.16666666666667 0.96325843311724 18.998 > 3 42 F 0.83333333333333 0.16666666666667 0.96325843311724 18.998 > 3 43 F 0.33333333333333 0.66666666666667 0.96325843311724 18.998 > 3 44 F 0.83333333333333 0.66666666666667 0.96325843311724 18.998 > 3 45 F 0.33333333333333 0.16666666666667 0.70340823354943 18.998 > 4 46 F 0.83333333333333 0.16666666666667 0.70340823354943 18.998 > 4 47 F 0.33333333333333 0.66666666666667 0.70340823354943 18.998 > 4 48 F 0.83333333333333 0.66666666666667 0.70340823354943 18.998 > 4 *49 Nd 0.00000000000000 0.00000000000000 0.24188104840848 144.242 > 5 50 Nd 0.50000000000000 0.00000000000000 0.24188104840848 144.242 > 5 51 Nd 0.00000000000000 0.50000000000000 0.24188104840848 144.242 > 5 52 Nd 0.50000000000000 0.50000000000000 0.24188104840848 144.242 > 5 53 Nd 0.33333333333333 0.16666666666667 0.09145228492486 144.242 > 6 54 Nd 0.83333333333333 0.16666666666667 0.09145228492486 144.242 > 6 55 Nd 0.33333333333333 0.66666666666667 0.09145228492486 144.242 > 6 56 Nd 0.83333333333333 0.66666666666667 0.09145228492486 144.242 > 6 57 Nd 0.33333333333333 0.16666666666667 0.57521438174181 144.242 > 5 58 Nd 0.83333333333333 0.16666666666667 0.57521438174181 144.242 > 5 59 Nd 0.33333333333333 0.66666666666667 0.57521438174181 144.242 > 5 60 Nd 0.83333333333333 0.66666666666667 0.57521438174181 144.242 > 5 61 Nd 0.16666666666667 0.33333333333333 0.42478561825819 144.242 > 6 62 Nd 0.66666666666667 0.33333333333333 0.42478561825819 144.242 > 6 63 Nd 0.16666666666667 0.83333333333333 0.42478561825819 144.242 > 6 64 Nd 0.66666666666667 0.83333333333333 0.42478561825819 144.242 > 6 65 Nd 0.16666666666667 0.33333333333333 0.90854771507514 144.242 > 5 66 Nd 0.66666666666667 0.33333333333333 0.90854771507514 144.242 > 5 67 Nd 0.16666666666667 0.83333333333333 0.90854771507514 144.242 > 5 68 Nd 0.66666666666667 0.83333333333333 0.90854771507514 144.242 > 5 69 Nd 0.00000000000000 0.00000000000000 0.75811895159152 144.242 > 6 70 Nd 0.50000000000000 0.00000000000000 0.75811895159152 144.242 > 6 71 Nd 0.00000000000000 0.50000000000000 0.75811895159152 144.242 > 6 72 Nd 0.50000000000000 0.50000000000000 0.75811895159152 144.242 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7170074 0.0000000 0.0000000 0.0000000 3.7170074 0.0000000 0.0000000 0.0000000 3.4179762 -------------------------- Born effective charges -------------------------- 1 O -2.5355946 0.0000000 0.0000000 0.0000000 -2.5355946 0.0000000 0.0000000 0.0000000 -1.9211383 2 O -2.5355946 0.0000000 0.0000000 0.0000000 -2.5355946 0.0000000 0.0000000 0.0000000 -1.9211383 3 F -1.4143439 0.0000000 0.0000000 0.0000000 -1.4143439 0.0000000 0.0000000 0.0000000 -1.7592096 4 F -1.4143439 0.0000000 0.0000000 0.0000000 -1.4143439 0.0000000 0.0000000 0.0000000 -1.7592096 5 Nd 3.9499385 0.0000000 0.0000000 0.0000000 3.9499385 0.0000000 0.0000000 0.0000000 3.6803478 6 Nd 3.9499385 0.0000000 0.0000000 0.0000000 3.9499385 0.0000000 0.0000000 0.0000000 3.6803478 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 294 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 80 / 80 - Time: 0.051 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.054 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 294 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), 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 20:58:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:58:36]------------------------- Compiled with OpenMP support (max 48 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.968082596051087 1.136273016617510 6.534597446666659 b -1.968082596051082 1.136273016617510 6.534597446666659 c 0.000000000000002 -2.272546033235023 6.534597446666659 Atomic positions (fractional): 1 O 0.12186858969295 0.12186858969295 0.12186858969295 15.999 2 O 0.87813141030705 0.87813141030705 0.87813141030705 15.999 3 F 0.62992509978390 0.62992509978391 0.62992509978390 18.998 4 F 0.37007490021610 0.37007490021610 0.37007490021610 18.998 5 Nd 0.24188104840848 0.24188104840848 0.24188104840848 144.242 6 Nd 0.75811895159152 0.75811895159152 0.75811895159152 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.872330384204338 0.000000000000000 0.000000000000000 b -3.936165192102168 6.817638099705066 0.000000000000000 c 0.000000000000000 0.000000000000000 19.603792339999998 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.12186858969295 15.999 > 1 2 O 0.50000000000000 0.00000000000000 0.12186858969295 15.999 > 1 3 O 0.00000000000000 0.50000000000000 0.12186858969295 15.999 > 1 4 O 0.50000000000000 0.50000000000000 0.12186858969295 15.999 > 1 5 O 0.33333333333333 0.16666666666667 0.21146474364038 15.999 > 5 6 O 0.83333333333333 0.16666666666667 0.21146474364038 15.999 > 5 7 O 0.33333333333333 0.66666666666667 0.21146474364038 15.999 > 5 8 O 0.83333333333333 0.66666666666667 0.21146474364038 15.999 > 5 9 O 0.33333333333333 0.16666666666667 0.45520192302628 15.999 > 1 10 O 0.83333333333333 0.16666666666667 0.45520192302628 15.999 > 1 11 O 0.33333333333333 0.66666666666667 0.45520192302628 15.999 > 1 12 O 0.83333333333333 0.66666666666667 0.45520192302628 15.999 > 1 13 O 0.16666666666667 0.33333333333333 0.54479807697372 15.999 > 5 14 O 0.66666666666667 0.33333333333333 0.54479807697372 15.999 > 5 15 O 0.16666666666667 0.83333333333333 0.54479807697372 15.999 > 5 16 O 0.66666666666667 0.83333333333333 0.54479807697372 15.999 > 5 17 O 0.16666666666667 0.33333333333333 0.78853525635962 15.999 > 1 18 O 0.66666666666667 0.33333333333333 0.78853525635962 15.999 > 1 19 O 0.16666666666667 0.83333333333333 0.78853525635962 15.999 > 1 20 O 0.66666666666667 0.83333333333333 0.78853525635962 15.999 > 1 21 O 0.00000000000000 0.00000000000000 0.87813141030705 15.999 > 5 22 O 0.50000000000000 0.00000000000000 0.87813141030705 15.999 > 5 23 O 0.00000000000000 0.50000000000000 0.87813141030705 15.999 > 5 24 O 0.50000000000000 0.50000000000000 0.87813141030705 15.999 > 5 25 F 0.16666666666667 0.33333333333333 0.29659176645057 18.998 > 25 26 F 0.66666666666667 0.33333333333333 0.29659176645057 18.998 > 25 27 F 0.16666666666667 0.83333333333333 0.29659176645057 18.998 > 25 28 F 0.66666666666667 0.83333333333333 0.29659176645057 18.998 > 25 29 F 0.16666666666667 0.33333333333333 0.03674156688276 18.998 > 29 30 F 0.66666666666667 0.33333333333333 0.03674156688276 18.998 > 29 31 F 0.16666666666667 0.83333333333333 0.03674156688276 18.998 > 29 32 F 0.66666666666667 0.83333333333333 0.03674156688276 18.998 > 29 33 F 0.00000000000000 0.00000000000000 0.62992509978390 18.998 > 25 34 F 0.50000000000000 0.00000000000000 0.62992509978390 18.998 > 25 35 F 0.00000000000000 0.50000000000000 0.62992509978390 18.998 > 25 36 F 0.50000000000000 0.50000000000000 0.62992509978390 18.998 > 25 37 F 0.00000000000000 0.00000000000000 0.37007490021610 18.998 > 29 38 F 0.50000000000000 0.00000000000000 0.37007490021610 18.998 > 29 39 F 0.00000000000000 0.50000000000000 0.37007490021610 18.998 > 29 40 F 0.50000000000000 0.50000000000000 0.37007490021610 18.998 > 29 41 F 0.33333333333333 0.16666666666667 0.96325843311724 18.998 > 25 42 F 0.83333333333333 0.16666666666667 0.96325843311724 18.998 > 25 43 F 0.33333333333333 0.66666666666667 0.96325843311724 18.998 > 25 44 F 0.83333333333333 0.66666666666667 0.96325843311724 18.998 > 25 45 F 0.33333333333333 0.16666666666667 0.70340823354943 18.998 > 29 46 F 0.83333333333333 0.16666666666667 0.70340823354943 18.998 > 29 47 F 0.33333333333333 0.66666666666667 0.70340823354943 18.998 > 29 48 F 0.83333333333333 0.66666666666667 0.70340823354943 18.998 > 29 49 Nd 0.00000000000000 0.00000000000000 0.24188104840848 144.242 > 49 50 Nd 0.50000000000000 0.00000000000000 0.24188104840848 144.242 > 49 51 Nd 0.00000000000000 0.50000000000000 0.24188104840848 144.242 > 49 52 Nd 0.50000000000000 0.50000000000000 0.24188104840848 144.242 > 49 53 Nd 0.33333333333333 0.16666666666667 0.09145228492486 144.242 > 53 54 Nd 0.83333333333333 0.16666666666667 0.09145228492486 144.242 > 53 55 Nd 0.33333333333333 0.66666666666667 0.09145228492486 144.242 > 53 56 Nd 0.83333333333333 0.66666666666667 0.09145228492486 144.242 > 53 57 Nd 0.33333333333333 0.16666666666667 0.57521438174181 144.242 > 49 58 Nd 0.83333333333333 0.16666666666667 0.57521438174181 144.242 > 49 59 Nd 0.33333333333333 0.66666666666667 0.57521438174181 144.242 > 49 60 Nd 0.83333333333333 0.66666666666667 0.57521438174181 144.242 > 49 61 Nd 0.16666666666667 0.33333333333333 0.42478561825819 144.242 > 53 62 Nd 0.66666666666667 0.33333333333333 0.42478561825819 144.242 > 53 63 Nd 0.16666666666667 0.83333333333333 0.42478561825819 144.242 > 53 64 Nd 0.66666666666667 0.83333333333333 0.42478561825819 144.242 > 53 65 Nd 0.16666666666667 0.33333333333333 0.90854771507514 144.242 > 49 66 Nd 0.66666666666667 0.33333333333333 0.90854771507514 144.242 > 49 67 Nd 0.16666666666667 0.83333333333333 0.90854771507514 144.242 > 49 68 Nd 0.66666666666667 0.83333333333333 0.90854771507514 144.242 > 49 69 Nd 0.00000000000000 0.00000000000000 0.75811895159152 144.242 > 53 70 Nd 0.50000000000000 0.00000000000000 0.75811895159152 144.242 > 53 71 Nd 0.00000000000000 0.50000000000000 0.75811895159152 144.242 > 53 72 Nd 0.50000000000000 0.50000000000000 0.75811895159152 144.242 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7170074 0.0000000 0.0000000 0.0000000 3.7170074 0.0000000 0.0000000 0.0000000 3.4179762 -------------------------- Born effective charges -------------------------- 1 O -2.5355946 0.0000000 0.0000000 0.0000000 -2.5355946 0.0000000 0.0000000 0.0000000 -1.9211383 2 O -2.5355946 0.0000000 0.0000000 0.0000000 -2.5355946 0.0000000 0.0000000 0.0000000 -1.9211383 3 F -1.4143439 0.0000000 0.0000000 0.0000000 -1.4143439 0.0000000 0.0000000 0.0000000 -1.7592096 4 F -1.4143439 0.0000000 0.0000000 0.0000000 -1.4143439 0.0000000 0.0000000 0.0000000 -1.7592096 5 Nd 3.9499385 0.0000000 0.0000000 0.0000000 3.9499385 0.0000000 0.0000000 0.0000000 3.6803478 6 Nd 3.9499385 0.0000000 0.0000000 0.0000000 3.9499385 0.0000000 0.0000000 0.0000000 3.6803478 ---------------------------------------------------------------------------- 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[ 25, 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[ 49, 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: 0.00000006 (xzx) 0.00000006 (xzx) 0.00000006 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:58:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:58:39]------------------------- Compiled with OpenMP support (max 48 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.968082596051087 1.136273016617510 6.534597446666659 b -1.968082596051082 1.136273016617510 6.534597446666659 c 0.000000000000002 -2.272546033235023 6.534597446666659 Atomic positions (fractional): 1 O 0.12186858969295 0.12186858969295 0.12186858969295 15.999 2 O 0.87813141030705 0.87813141030705 0.87813141030705 15.999 3 F 0.62992509978390 0.62992509978391 0.62992509978390 18.998 4 F 0.37007490021610 0.37007490021610 0.37007490021610 18.998 5 Nd 0.24188104840848 0.24188104840848 0.24188104840848 144.242 6 Nd 0.75811895159152 0.75811895159152 0.75811895159152 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.872330384204338 0.000000000000000 0.000000000000000 b -3.936165192102168 6.817638099705066 0.000000000000000 c 0.000000000000000 0.000000000000000 19.603792339999998 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.12186858969295 15.999 > 1 2 O 0.50000000000000 0.00000000000000 0.12186858969295 15.999 > 1 3 O 0.00000000000000 0.50000000000000 0.12186858969295 15.999 > 1 4 O 0.50000000000000 0.50000000000000 0.12186858969295 15.999 > 1 5 O 0.33333333333333 0.16666666666667 0.21146474364038 15.999 > 5 6 O 0.83333333333333 0.16666666666667 0.21146474364038 15.999 > 5 7 O 0.33333333333333 0.66666666666667 0.21146474364038 15.999 > 5 8 O 0.83333333333333 0.66666666666667 0.21146474364038 15.999 > 5 9 O 0.33333333333333 0.16666666666667 0.45520192302628 15.999 > 1 10 O 0.83333333333333 0.16666666666667 0.45520192302628 15.999 > 1 11 O 0.33333333333333 0.66666666666667 0.45520192302628 15.999 > 1 12 O 0.83333333333333 0.66666666666667 0.45520192302628 15.999 > 1 13 O 0.16666666666667 0.33333333333333 0.54479807697372 15.999 > 5 14 O 0.66666666666667 0.33333333333333 0.54479807697372 15.999 > 5 15 O 0.16666666666667 0.83333333333333 0.54479807697372 15.999 > 5 16 O 0.66666666666667 0.83333333333333 0.54479807697372 15.999 > 5 17 O 0.16666666666667 0.33333333333333 0.78853525635962 15.999 > 1 18 O 0.66666666666667 0.33333333333333 0.78853525635962 15.999 > 1 19 O 0.16666666666667 0.83333333333333 0.78853525635962 15.999 > 1 20 O 0.66666666666667 0.83333333333333 0.78853525635962 15.999 > 1 21 O 0.00000000000000 0.00000000000000 0.87813141030705 15.999 > 5 22 O 0.50000000000000 0.00000000000000 0.87813141030705 15.999 > 5 23 O 0.00000000000000 0.50000000000000 0.87813141030705 15.999 > 5 24 O 0.50000000000000 0.50000000000000 0.87813141030705 15.999 > 5 25 F 0.16666666666667 0.33333333333333 0.29659176645057 18.998 > 25 26 F 0.66666666666667 0.33333333333333 0.29659176645057 18.998 > 25 27 F 0.16666666666667 0.83333333333333 0.29659176645057 18.998 > 25 28 F 0.66666666666667 0.83333333333333 0.29659176645057 18.998 > 25 29 F 0.16666666666667 0.33333333333333 0.03674156688276 18.998 > 29 30 F 0.66666666666667 0.33333333333333 0.03674156688276 18.998 > 29 31 F 0.16666666666667 0.83333333333333 0.03674156688276 18.998 > 29 32 F 0.66666666666667 0.83333333333333 0.03674156688276 18.998 > 29 33 F 0.00000000000000 0.00000000000000 0.62992509978390 18.998 > 25 34 F 0.50000000000000 0.00000000000000 0.62992509978390 18.998 > 25 35 F 0.00000000000000 0.50000000000000 0.62992509978390 18.998 > 25 36 F 0.50000000000000 0.50000000000000 0.62992509978390 18.998 > 25 37 F 0.00000000000000 0.00000000000000 0.37007490021610 18.998 > 29 38 F 0.50000000000000 0.00000000000000 0.37007490021610 18.998 > 29 39 F 0.00000000000000 0.50000000000000 0.37007490021610 18.998 > 29 40 F 0.50000000000000 0.50000000000000 0.37007490021610 18.998 > 29 41 F 0.33333333333333 0.16666666666667 0.96325843311724 18.998 > 25 42 F 0.83333333333333 0.16666666666667 0.96325843311724 18.998 > 25 43 F 0.33333333333333 0.66666666666667 0.96325843311724 18.998 > 25 44 F 0.83333333333333 0.66666666666667 0.96325843311724 18.998 > 25 45 F 0.33333333333333 0.16666666666667 0.70340823354943 18.998 > 29 46 F 0.83333333333333 0.16666666666667 0.70340823354943 18.998 > 29 47 F 0.33333333333333 0.66666666666667 0.70340823354943 18.998 > 29 48 F 0.83333333333333 0.66666666666667 0.70340823354943 18.998 > 29 49 Nd 0.00000000000000 0.00000000000000 0.24188104840848 144.242 > 49 50 Nd 0.50000000000000 0.00000000000000 0.24188104840848 144.242 > 49 51 Nd 0.00000000000000 0.50000000000000 0.24188104840848 144.242 > 49 52 Nd 0.50000000000000 0.50000000000000 0.24188104840848 144.242 > 49 53 Nd 0.33333333333333 0.16666666666667 0.09145228492486 144.242 > 53 54 Nd 0.83333333333333 0.16666666666667 0.09145228492486 144.242 > 53 55 Nd 0.33333333333333 0.66666666666667 0.09145228492486 144.242 > 53 56 Nd 0.83333333333333 0.66666666666667 0.09145228492486 144.242 > 53 57 Nd 0.33333333333333 0.16666666666667 0.57521438174181 144.242 > 49 58 Nd 0.83333333333333 0.16666666666667 0.57521438174181 144.242 > 49 59 Nd 0.33333333333333 0.66666666666667 0.57521438174181 144.242 > 49 60 Nd 0.83333333333333 0.66666666666667 0.57521438174181 144.242 > 49 61 Nd 0.16666666666667 0.33333333333333 0.42478561825819 144.242 > 53 62 Nd 0.66666666666667 0.33333333333333 0.42478561825819 144.242 > 53 63 Nd 0.16666666666667 0.83333333333333 0.42478561825819 144.242 > 53 64 Nd 0.66666666666667 0.83333333333333 0.42478561825819 144.242 > 53 65 Nd 0.16666666666667 0.33333333333333 0.90854771507514 144.242 > 49 66 Nd 0.66666666666667 0.33333333333333 0.90854771507514 144.242 > 49 67 Nd 0.16666666666667 0.83333333333333 0.90854771507514 144.242 > 49 68 Nd 0.66666666666667 0.83333333333333 0.90854771507514 144.242 > 49 69 Nd 0.00000000000000 0.00000000000000 0.75811895159152 144.242 > 53 70 Nd 0.50000000000000 0.00000000000000 0.75811895159152 144.242 > 53 71 Nd 0.00000000000000 0.50000000000000 0.75811895159152 144.242 > 53 72 Nd 0.50000000000000 0.50000000000000 0.75811895159152 144.242 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7170074 0.0000000 0.0000000 0.0000000 3.7170074 0.0000000 0.0000000 0.0000000 3.4179762 -------------------------- Born effective charges -------------------------- 1 O -2.5355946 0.0000000 0.0000000 0.0000000 -2.5355946 0.0000000 0.0000000 0.0000000 -1.9211383 2 O -2.5355946 0.0000000 0.0000000 0.0000000 -2.5355946 0.0000000 0.0000000 0.0000000 -1.9211383 3 F -1.4143439 0.0000000 0.0000000 0.0000000 -1.4143439 0.0000000 0.0000000 0.0000000 -1.7592096 4 F -1.4143439 0.0000000 0.0000000 0.0000000 -1.4143439 0.0000000 0.0000000 0.0000000 -1.7592096 5 Nd 3.9499385 0.0000000 0.0000000 0.0000000 3.9499385 0.0000000 0.0000000 0.0000000 3.6803478 6 Nd 3.9499385 0.0000000 0.0000000 0.0000000 3.9499385 0.0000000 0.0000000 0.0000000 3.6803478 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xzx) 0.00000006 (xzx) 0.00000006 (xxz) 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 ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.93, Number of G-points: 325, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 6.477 ( 0.000 0.000 0.000) 0.000 6.477 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 9.465 ( 0.000 0.000 0.000) 0.000 11.698 ( 0.000 0.000 0.000) 0.000 11.698 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.081 ( 0.000 0.000 0.000) 0.000 13.904 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 25.643 14.805 2.159) 29.688 0.669 ( 29.185 16.850 -1.749) 33.746 1.171 ( 48.892 28.228 14.115) 58.193 3.136 ( 4.154 2.399 -0.056) 4.797 3.281 ( 16.508 9.531 -1.571) 19.126 5.719 ( -1.215 -0.702 -1.575) 2.109 6.479 ( 0.224 0.129 -0.413) 0.487 6.846 ( 1.131 0.653 -10.506) 10.587 7.968 ( -18.083 -10.440 -19.645) 28.669 8.259 ( 2.163 1.249 1.171) 2.759 8.703 ( -8.334 -4.811 38.745) 39.923 9.602 ( 9.095 5.251 1.225) 10.573 11.638 ( -5.049 -2.915 -1.003) 5.915 12.816 ( -13.123 -7.577 -2.328) 15.331 12.974 ( -1.261 -0.728 0.711) 1.621 12.998 ( -6.149 -3.550 -4.710) 8.520 14.009 ( 11.467 6.620 -10.376) 16.822 16.424 ( 0.365 0.211 -4.065) 4.087 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 26.522 15.312 2.233) 30.706 1.292 ( 26.068 15.050 -0.941) 30.115 2.285 ( 45.111 26.045 13.759) 53.876 3.263 ( 6.853 3.957 -0.433) 7.925 3.763 ( 25.384 14.655 -2.725) 29.437 5.668 ( -2.615 -1.510 -2.846) 4.149 6.484 ( 0.363 0.210 -0.694) 0.811 6.831 ( -0.284 -0.164 -4.601) 4.612 7.400 ( -23.647 -13.653 -22.334) 35.276 8.334 ( 3.838 2.216 2.127) 4.916 8.632 ( -7.389 -4.266 23.359) 24.869 9.781 ( 5.368 3.099 -0.152) 6.201 11.471 ( -9.136 -5.274 -1.752) 10.693 12.452 ( -17.278 -9.975 -3.025) 20.179 12.790 ( -10.352 -5.977 -4.931) 12.931 12.938 ( -2.146 -1.239 1.188) 2.748 14.253 ( 11.148 6.436 -1.568) 12.968 16.406 ( -1.782 -1.029 1.468) 2.527 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 26.110 15.074 2.634) 30.263 1.831 ( 21.642 12.495 0.305) 24.992 3.283 ( 38.742 22.368 13.194) 46.640 3.426 ( 7.452 4.303 -1.219) 8.691 4.351 ( 26.553 15.330 -3.910) 30.909 5.582 ( -4.022 -2.322 -3.060) 5.561 6.489 ( 0.176 0.102 -0.702) 0.731 6.690 ( -18.759 -10.831 3.935) 22.016 6.933 ( -2.753 -1.590 -24.028) 24.238 8.441 ( 4.828 2.788 2.567) 6.138 8.526 ( -7.802 -4.504 15.080) 17.566 9.812 ( -2.324 -1.341 -4.629) 5.351 11.227 ( -11.587 -6.690 -2.031) 13.532 12.046 ( -17.413 -10.054 -2.303) 20.239 12.522 ( -11.526 -6.654 -3.902) 13.869 12.890 ( -2.360 -1.362 1.303) 3.020 14.482 ( 9.139 5.276 0.040) 10.553 16.348 ( -4.180 -2.413 3.983) 6.258 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 16.812 9.707 1.678) 19.486 2.363 ( 24.721 14.272 3.347) 28.740 3.577 ( 6.197 3.578 -2.188) 7.483 4.100 ( 29.052 16.773 12.007) 35.630 4.883 ( 20.862 12.045 -5.839) 24.787 5.477 ( -4.171 -2.408 -1.185) 4.960 6.266 ( -14.738 -8.509 2.791) 17.245 6.485 ( -0.430 -0.248 -0.405) 0.641 6.918 ( 3.303 1.907 -12.383) 12.957 8.388 ( -7.835 -4.524 9.134) 12.856 8.564 ( 5.148 2.972 2.293) 6.371 9.637 ( -10.674 -6.163 -11.246) 16.685 10.949 ( -12.136 -7.007 -1.760) 14.124 11.670 ( -15.034 -8.680 -1.100) 17.394 12.264 ( -10.045 -5.799 -1.901) 11.753 12.846 ( -1.865 -1.077 1.097) 2.417 14.662 ( 6.746 3.895 -0.145) 7.791 16.248 ( -5.880 -3.395 5.039) 8.456 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 12.153 7.017 2.654) 14.282 2.914 ( 22.937 13.243 4.222) 26.820 3.683 ( 3.934 2.271 -2.879) 5.378 4.614 ( 11.322 6.537 7.166) 14.909 5.214 ( 10.151 5.861 -3.541) 12.245 5.424 ( 1.120 0.647 0.889) 1.569 6.130 ( 0.765 0.441 9.430) 9.471 6.467 ( -1.028 -0.593 -0.020) 1.187 6.961 ( 3.319 1.916 -8.109) 8.970 8.247 ( -6.413 -3.702 4.817) 8.833 8.683 ( 4.714 2.722 1.508) 5.649 9.274 ( -16.408 -9.473 -17.327) 25.675 10.682 ( -10.768 -6.217 -1.124) 12.484 11.367 ( -11.481 -6.629 -0.124) 13.258 12.066 ( -7.052 -4.072 -0.007) 8.143 12.816 ( -1.010 -0.583 0.743) 1.382 14.787 ( 4.463 2.577 -0.675) 5.198 16.128 ( -6.023 -3.477 4.885) 8.499 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 7.583 4.378 2.618) 9.139 3.427 ( 21.094 12.178 5.017) 24.868 3.737 ( 1.738 1.004 -2.690) 3.356 4.624 ( -8.894 -5.135 -1.406) 10.366 5.382 ( 6.214 3.587 3.650) 8.050 5.570 ( 8.640 4.988 3.958) 10.733 6.263 ( 5.457 3.151 8.805) 10.828 6.442 ( -1.047 -0.605 0.167) 1.220 7.005 ( 2.465 1.423 -4.672) 5.470 8.152 ( -2.676 -1.545 3.306) 4.525 8.780 ( 3.366 1.943 0.710) 3.951 8.824 ( -16.771 -9.683 -19.161) 27.243 10.469 ( -7.522 -4.343 -0.499) 8.700 11.153 ( -7.395 -4.270 0.202) 8.542 11.945 ( -3.902 -2.253 0.768) 4.571 12.804 ( -0.315 -0.182 0.402) 0.542 14.862 ( 2.482 1.433 -0.827) 2.983 16.021 ( -4.452 -2.570 3.581) 6.265 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 2.640 1.524 1.143) 3.256 3.752 ( 0.390 0.225 -1.156) 1.240 3.899 ( 19.044 10.995 5.357) 22.633 4.317 ( -15.997 -9.236 -4.648) 19.048 5.520 ( 3.786 2.186 2.511) 5.042 5.729 ( 3.408 1.968 2.732) 4.791 6.367 ( 1.657 0.956 3.277) 3.794 6.425 ( -0.430 -0.248 0.092) 0.505 7.036 ( 1.036 0.598 -1.483) 1.906 8.170 ( 2.839 1.639 5.579) 6.471 8.442 ( -10.603 -6.122 -13.177) 17.987 8.834 ( 1.224 0.707 0.186) 1.426 10.350 ( -2.718 -1.569 -0.120) 3.141 11.040 ( -2.590 -1.495 0.109) 2.993 11.890 ( -1.217 -0.703 0.401) 1.462 12.801 ( -0.035 -0.020 0.124) 0.131 14.896 ( 0.788 0.455 -0.373) 0.984 15.959 ( -1.633 -0.943 1.324) 2.304 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.000 27.718 18.463) 33.304 0.753 ( 0.000 32.354 13.901) 35.214 1.128 ( 0.000 54.294 7.273) 54.779 3.127 ( -0.000 4.593 -1.847) 4.950 3.285 ( 0.000 19.370 -0.721) 19.383 5.712 ( -0.000 -1.189 -2.849) 3.088 6.485 ( 0.000 0.471 0.763) 0.897 6.790 ( -0.000 3.726 -16.643) 17.055 8.224 ( 0.000 -3.050 6.024) 6.752 8.243 ( -0.000 1.877 -1.903) 2.673 8.617 ( 0.000 -34.187 38.742) 51.669 9.596 ( 0.000 9.587 -0.076) 9.587 11.652 ( 0.000 -5.307 1.603) 5.544 12.794 ( -0.000 -14.559 -7.454) 16.357 12.965 ( -0.000 -1.811 -1.067) 2.102 12.989 ( -0.000 -5.961 -5.181) 7.898 14.012 ( -0.000 21.158 -9.416) 23.158 16.344 ( -0.000 0.787 -16.865) 16.883 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 9.927 25.541 13.371) 30.490 1.255 ( 11.851 30.960 4.233) 33.419 1.977 ( 31.390 40.716 12.317) 52.866 3.240 ( 5.445 7.646 -2.159) 9.631 3.589 ( 11.925 22.937 -1.835) 25.916 5.676 ( -1.410 -1.533 -3.670) 4.220 6.480 ( -0.875 -0.077 0.285) 0.923 6.782 ( 1.776 0.342 -11.436) 11.578 7.739 ( -34.116 -8.924 -2.471) 35.351 8.252 ( 4.293 -3.238 5.267) 7.526 8.662 ( 7.549 -13.930 17.605) 23.685 9.737 ( 4.952 6.634 -0.856) 8.323 11.542 ( -5.786 -6.772 0.448) 8.919 12.534 ( -9.221 -16.257 -5.644) 19.524 12.831 ( -6.275 -9.107 -5.487) 12.346 12.947 ( -0.192 -2.225 -0.387) 2.267 14.233 ( 4.234 15.932 2.781) 16.718 16.337 ( 4.372 -4.291 -9.182) 11.038 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 19.569 21.929 7.465) 30.324 1.756 ( 12.704 25.961 2.239) 28.990 2.926 ( 33.654 27.377 11.903) 44.986 3.428 ( 6.049 13.372 -1.182) 14.724 4.084 ( 21.039 20.211 -3.806) 29.421 5.610 ( -2.959 -1.658 -3.490) 4.867 6.457 ( -0.440 -2.707 -0.553) 2.798 6.780 ( 2.507 -1.171 -8.206) 8.660 7.079 ( -29.695 -9.900 -5.123) 31.718 8.327 ( 6.019 -3.835 5.163) 8.809 8.661 ( -1.862 -4.140 10.421) 11.366 9.822 ( -0.034 1.750 -3.539) 3.949 11.341 ( -9.608 -7.022 -0.795) 11.927 12.164 ( -13.123 -16.031 -2.935) 20.925 12.584 ( -8.235 -10.953 -5.857) 14.903 12.920 ( -1.079 -0.831 0.352) 1.407 14.457 ( 4.196 12.018 4.532) 13.512 16.316 ( 2.226 -7.677 -2.654) 8.422 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 21.506 20.222 4.590) 29.875 2.198 ( 11.621 20.450 2.495) 23.654 3.496 ( 10.124 6.930 -0.465) 12.278 3.886 ( 24.068 25.733 9.390) 36.464 4.617 ( 22.022 15.119 -6.110) 27.402 5.526 ( -4.071 -1.175 -1.459) 4.482 6.377 ( -5.029 -8.427 -1.162) 9.882 6.577 ( -16.596 -3.579 2.451) 17.154 6.797 ( 4.778 -2.853 -8.523) 10.179 8.386 ( 2.859 -5.347 5.146) 7.953 8.628 ( -2.994 2.841 5.439) 6.828 9.724 ( -8.526 -3.041 -9.155) 12.875 11.087 ( -11.769 -6.380 -1.368) 13.457 11.784 ( -12.913 -14.223 -1.151) 19.245 12.322 ( -7.504 -10.620 -4.346) 13.711 12.900 ( -2.063 1.880 0.552) 2.845 14.633 ( 3.266 8.102 3.395) 9.372 16.243 ( -0.170 -10.118 1.173) 10.187 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 8.574 16.702 3.242) 19.053 2.701 ( 21.191 18.202 3.088) 28.105 3.658 ( 3.736 6.428 -2.782) 7.938 4.499 ( 17.261 15.478 6.194) 23.997 5.042 ( 16.056 9.233 -6.047) 19.484 5.454 ( -3.171 0.364 1.380) 3.478 6.186 ( -5.160 -3.159 8.186) 10.179 6.440 ( -1.111 -5.258 1.590) 5.605 6.831 ( 6.156 -4.104 -6.112) 9.597 8.337 ( -4.533 -2.996 3.561) 6.497 8.674 ( 1.720 4.342 3.249) 5.689 9.421 ( -16.045 -6.449 -15.411) 23.163 10.825 ( -11.692 -4.551 -1.545) 12.641 11.451 ( -10.903 -12.051 0.013) 16.251 12.108 ( -5.192 -8.574 -2.028) 10.227 12.894 ( -3.074 5.479 0.477) 6.301 14.750 ( 2.599 3.925 1.641) 4.985 16.129 ( -1.284 -11.467 2.990) 11.920 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 4.870 13.505 3.346) 14.741 3.223 ( 19.569 15.556 2.040) 25.081 3.748 ( 1.131 6.379 -2.719) 7.025 4.714 ( -3.313 3.144 -4.506) 6.416 5.314 ( 8.631 5.200 2.037) 10.280 5.499 ( 5.994 4.513 5.148) 9.100 6.231 ( 4.410 1.583 11.675) 12.580 6.387 ( 1.639 -7.809 1.206) 8.070 6.878 ( 6.918 -5.526 -4.343) 9.862 8.240 ( -5.737 0.610 2.147) 6.156 8.761 ( 2.190 3.044 3.016) 4.813 8.993 ( -18.488 -6.184 -18.548) 26.909 10.607 ( -10.168 -0.549 -1.458) 10.287 11.181 ( -7.332 -11.413 0.402) 13.571 11.967 ( -2.814 -5.741 -0.506) 6.413 12.904 ( -4.330 9.035 0.325) 10.025 14.814 ( 2.575 -0.121 0.249) 2.590 16.008 ( -0.715 -11.441 3.152) 11.889 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 0.141 10.799 2.026) 10.988 3.631 ( 12.494 4.237 -0.568) 13.205 3.859 ( 5.143 14.178 0.458) 15.089 4.517 ( -15.669 -1.033 -8.053) 17.648 5.482 ( 5.480 3.560 3.477) 7.402 5.683 ( 5.813 1.873 7.021) 9.305 6.325 ( 2.976 -5.124 2.569) 6.458 6.371 ( 3.222 -3.254 3.141) 5.553 6.925 ( 6.805 -6.750 -1.816) 9.755 8.198 ( -1.618 2.768 3.087) 4.451 8.586 ( -15.228 -1.969 -11.228) 19.022 8.839 ( 1.179 2.569 0.507) 2.872 10.468 ( -8.103 4.865 -1.013) 9.505 10.993 ( -1.481 -11.363 0.054) 11.459 11.891 ( -0.915 -3.314 -0.374) 3.459 12.921 ( -5.822 11.469 0.187) 12.864 14.843 ( 2.939 -3.246 -0.269) 4.387 15.913 ( 1.279 -10.241 1.898) 10.493 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -5.157 7.717 -0.565) 9.298 3.723 ( 1.817 -2.235 -0.216) 2.889 4.148 ( -11.405 -0.434 -4.995) 12.458 4.223 ( 3.652 16.206 -1.365) 16.669 5.553 ( -1.432 0.224 -0.109) 1.454 5.734 ( -0.479 -3.100 2.060) 3.753 6.315 ( 3.811 -7.287 -0.157) 8.225 6.377 ( 0.480 -3.136 -3.170) 4.485 6.956 ( 5.192 -7.912 1.131) 9.531 8.211 ( -2.654 0.963 -1.148) 3.048 8.453 ( 0.387 8.568 6.417) 10.712 8.867 ( -0.893 1.628 1.910) 2.663 10.424 ( -4.977 9.161 -0.196) 10.428 10.920 ( 5.410 -9.573 -0.789) 11.024 11.864 ( 0.963 -1.746 -1.122) 2.288 12.928 ( -7.017 12.064 0.059) 13.957 14.852 ( 2.870 -4.649 0.090) 5.464 15.870 ( 4.175 -8.444 -0.348) 9.426 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( -9.880 4.541 -2.526) 11.163 3.617 ( -12.937 -7.765 -3.739) 15.545 3.853 ( -11.029 3.873 -0.582) 11.704 4.549 ( 9.388 12.846 -1.538) 15.985 5.449 ( -6.743 -2.418 -3.586) 8.011 5.639 ( -5.912 -4.888 -1.988) 7.924 6.273 ( -2.937 -4.860 -6.592) 8.700 6.346 ( 5.263 -7.712 -1.231) 9.418 6.953 ( 3.412 -8.831 3.311) 10.030 8.181 ( -2.290 5.135 0.008) 5.622 8.701 ( 9.942 6.587 8.832) 14.841 8.875 ( -0.592 5.186 9.214) 10.590 10.476 ( -0.159 10.272 0.609) 10.292 10.985 ( 10.934 -5.052 -1.434) 12.130 11.883 ( 3.495 -0.836 -1.896) 4.063 12.919 ( -7.162 10.835 -0.084) 12.988 14.848 ( 1.474 -4.230 0.862) 4.562 15.889 ( 7.343 -6.573 -2.861) 10.262 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -13.979 2.130 -2.714) 14.399 3.188 ( -23.624 -7.598 -4.927) 25.301 3.776 ( -5.644 2.149 2.569) 6.564 4.698 ( -3.178 4.030 -6.417) 8.217 5.309 ( -6.280 -2.529 -0.359) 6.779 5.471 ( -5.966 -2.753 -0.719) 6.610 6.121 ( -3.838 -4.550 -8.513) 10.388 6.376 ( 6.335 -6.286 -0.875) 8.967 6.929 ( 2.664 -9.321 5.336) 11.066 8.231 ( 0.357 7.049 0.435) 7.071 8.738 ( -3.413 -1.325 -1.412) 3.924 9.186 ( 13.595 12.148 18.681) 26.103 10.620 ( 5.470 9.115 1.058) 10.683 11.172 ( 14.238 0.076 -1.210) 14.289 11.960 ( 7.111 -0.088 -1.858) 7.350 12.901 ( -5.882 8.449 -0.258) 10.298 14.820 ( -1.445 -2.799 1.430) 3.460 15.967 ( 9.858 -4.876 -4.800) 12.000 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -18.378 0.806 -1.559) 18.462 2.668 ( -26.572 -8.485 -3.505) 28.114 3.682 ( -7.655 -0.420 1.953) 7.912 4.413 ( -24.365 -6.099 -9.318) 26.789 5.103 ( -14.978 -8.516 3.694) 17.621 5.447 ( 2.315 2.295 0.890) 3.379 6.118 ( 8.726 4.625 -4.833) 10.995 6.426 ( 5.610 -3.474 -1.273) 6.720 6.904 ( 2.733 -9.252 7.936) 12.492 8.310 ( 1.641 4.722 -1.901) 5.349 8.647 ( -5.116 0.067 -2.032) 5.505 9.566 ( 11.352 8.912 12.834) 19.313 10.840 ( 9.888 7.841 1.290) 12.685 11.450 ( 16.754 3.059 -0.143) 17.032 12.116 ( 11.293 0.978 -0.615) 11.352 12.889 ( -3.506 5.729 -0.465) 6.732 14.749 ( -5.263 -1.389 1.511) 5.649 16.085 ( 10.697 -3.491 -5.583) 12.562 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -28.811 -8.798 -1.956) 30.188 2.186 ( -23.152 -0.112 0.103) 23.152 3.492 ( -13.984 -7.784 -1.115) 16.043 3.801 ( -33.400 -3.648 -6.819) 34.284 4.665 ( -24.518 -11.870 2.549) 27.359 5.542 ( 4.409 2.338 2.133) 5.427 6.391 ( 10.797 0.718 1.288) 10.897 6.543 ( 11.870 10.784 -3.908) 16.507 6.912 ( 5.406 -8.264 13.374) 16.624 8.335 ( 0.797 -2.599 -4.786) 5.504 8.580 ( -3.471 4.403 -3.833) 6.792 9.801 ( 4.632 4.182 5.868) 8.567 11.101 ( 11.621 6.430 1.385) 13.353 11.794 ( 19.712 3.723 0.986) 20.085 12.351 ( 14.249 2.018 1.079) 14.432 12.894 ( -0.887 3.225 -0.633) 3.404 14.622 ( -9.145 -0.564 1.338) 9.260 16.211 ( 9.443 -2.483 -5.013) 10.975 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -30.029 -7.866 -0.707) 31.050 1.752 ( -28.651 0.548 1.412) 28.691 2.829 ( -43.636 -12.572 -6.444) 45.866 3.433 ( -13.718 2.123 -0.159) 13.882 4.112 ( -28.148 -8.867 1.423) 29.546 5.635 ( 3.671 1.059 1.505) 4.107 6.463 ( 2.378 -1.501 0.573) 2.869 6.806 ( 4.007 3.280 -2.633) 5.810 7.199 ( 25.243 6.429 17.013) 31.113 8.268 ( -0.254 -6.228 -5.840) 8.541 8.575 ( -1.051 4.146 -6.240) 7.565 9.846 ( -2.890 0.348 1.140) 3.127 11.350 ( 10.995 3.713 1.069) 11.655 12.185 ( 21.501 3.022 1.118) 21.741 12.624 ( 14.484 1.835 1.704) 14.699 12.916 ( 1.101 1.245 -0.554) 1.752 14.439 ( -12.273 -0.332 1.203) 12.336 16.315 ( 6.646 -1.542 -3.017) 7.460 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -30.007 0.000 0.000) 30.007 1.234 ( -33.360 0.000 0.000) 33.360 1.912 ( -53.110 0.000 0.000) 53.110 3.251 ( -9.273 0.000 0.000) 9.273 3.599 ( -25.903 0.000 0.000) 25.903 5.694 ( 2.429 -0.000 -0.000) 2.429 6.479 ( 0.446 -0.000 -0.000) 0.446 6.850 ( 1.293 -0.000 -0.000) 1.293 7.756 ( 26.725 -0.000 -0.000) 26.725 8.210 ( 0.355 -0.000 -0.000) 0.355 8.571 ( 0.353 -0.000 -0.000) 0.353 9.742 ( -8.764 0.000 0.000) 8.764 11.540 ( 8.682 -0.000 -0.000) 8.682 12.562 ( 20.063 -0.000 -0.000) 20.063 12.863 ( 11.439 -0.000 -0.000) 11.439 12.949 ( 2.201 -0.000 -0.000) 2.201 14.218 ( -13.432 0.000 0.000) 13.432 16.387 ( 3.564 -0.000 -0.000) 3.564 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 0.000 26.249 14.097) 29.795 1.431 ( 0.000 27.501 11.663) 29.872 2.204 ( 0.000 50.230 6.723) 50.678 3.237 ( -0.000 8.159 -3.009) 8.696 3.766 ( 0.000 28.771 -2.110) 28.848 5.662 ( -0.000 -1.118 -3.537) 3.709 6.500 ( 0.000 0.302 0.787) 0.843 6.722 ( -0.000 -1.965 -9.844) 10.038 8.130 ( 0.000 -34.467 38.841) 51.928 8.219 ( -0.000 -0.650 -14.742) 14.757 8.287 ( -0.000 4.237 -2.246) 4.795 9.756 ( -0.000 6.963 -2.335) 7.344 11.511 ( -0.000 -10.349 1.963) 10.533 12.424 ( -0.000 -17.303 -6.084) 18.341 12.777 ( -0.000 -12.304 -4.691) 13.168 12.911 ( -0.000 -2.617 -1.321) 2.932 14.390 ( 0.000 16.158 9.994) 18.999 16.204 ( -0.000 -3.476 -15.719) 16.099 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 4.912 25.698 10.682) 28.260 1.842 ( 10.048 24.474 7.221) 27.424 2.845 ( 16.463 39.391 7.223) 43.299 3.398 ( 9.181 10.788 -3.220) 14.527 4.088 ( 6.076 27.795 -3.036) 28.613 5.631 ( -1.796 -0.133 -2.403) 3.003 6.473 ( -2.999 -1.143 0.379) 3.232 6.674 ( 2.149 -5.841 -7.677) 9.883 7.518 ( -31.871 -15.537 9.015) 36.585 8.225 ( 3.906 -1.827 3.021) 5.265 8.536 ( 12.308 -4.595 2.952) 13.465 9.821 ( 1.319 3.143 -3.270) 4.724 11.373 ( -3.928 -11.062 1.041) 11.785 12.168 ( -7.757 -17.358 -2.904) 19.233 12.562 ( -6.280 -14.055 -6.368) 16.659 12.901 ( 1.550 -1.743 -0.797) 2.465 14.582 ( 0.491 13.586 11.568) 17.850 16.150 ( 3.955 -7.005 -12.008) 14.454 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 13.941 23.141 5.727) 27.617 2.262 ( 9.793 22.682 5.414) 25.292 3.400 ( 11.629 15.596 1.687) 19.527 3.792 ( 19.659 22.955 0.333) 30.224 4.479 ( 12.057 21.937 -3.657) 25.298 5.586 ( -3.542 1.526 -0.151) 3.860 6.384 ( -4.455 -3.970 0.266) 5.974 6.611 ( 2.280 -12.596 -5.717) 14.020 6.947 ( -24.363 -4.683 8.326) 26.169 8.301 ( 4.747 -0.396 1.334) 4.947 8.639 ( 3.776 -1.920 2.166) 4.758 9.790 ( -4.904 -1.505 -6.901) 8.598 11.179 ( -7.380 -9.586 0.265) 12.100 11.837 ( -10.576 -15.284 -0.034) 18.586 12.289 ( -5.948 -14.442 -6.925) 17.085 12.921 ( 1.453 1.141 -0.453) 1.902 14.735 ( -0.943 10.549 9.369) 14.141 16.090 ( 3.132 -11.758 -5.995) 13.565 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 15.012 16.640 2.810) 22.587 2.672 ( 10.355 24.952 4.509) 27.389 3.640 ( 5.730 7.978 -2.339) 10.097 4.361 ( 19.996 17.947 -2.208) 26.959 4.877 ( 13.883 15.261 -1.295) 20.671 5.542 ( -4.800 3.234 1.949) 6.107 6.262 ( -4.982 -3.824 4.442) 7.693 6.433 ( -3.609 -15.104 4.067) 16.053 6.728 ( -3.769 -0.918 2.269) 4.494 8.361 ( 0.889 1.458 -1.044) 2.001 8.680 ( 2.252 0.079 2.010) 3.019 9.567 ( -13.216 -5.193 -12.866) 19.161 10.942 ( -9.550 -8.431 -0.301) 12.743 11.537 ( -10.894 -9.470 1.230) 14.487 12.055 ( -2.799 -13.364 -4.758) 14.459 12.972 ( 0.950 5.362 -0.383) 5.459 14.815 ( -2.603 6.558 6.128) 9.346 15.985 ( 1.945 -15.599 -1.443) 15.786 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 8.833 12.984 4.418) 16.313 3.131 ( 12.864 23.887 -0.154) 27.131 3.770 ( 3.278 6.413 -2.994) 7.799 4.720 ( 8.205 8.881 -10.662) 16.121 5.226 ( 10.645 10.039 5.950) 15.796 5.514 ( -1.915 3.890 3.371) 5.492 6.235 ( 0.773 -0.495 10.309) 10.350 6.285 ( 0.305 -12.689 7.608) 14.798 6.703 ( 3.099 -5.603 -0.563) 6.427 8.346 ( -4.261 3.327 -2.421) 5.924 8.743 ( 3.843 0.417 2.188) 4.441 9.187 ( -17.860 -5.744 -16.622) 25.065 10.721 ( -6.981 -6.169 -0.978) 9.368 11.271 ( -13.008 -5.148 1.273) 14.047 11.910 ( 0.349 -9.931 -2.048) 10.146 13.054 ( -0.396 10.506 -0.317) 10.518 14.820 ( -2.959 1.451 3.055) 4.493 15.853 ( 2.242 -17.695 1.059) 17.868 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 2.893 12.698 4.360) 13.734 3.502 ( 9.107 11.786 -4.875) 15.672 3.909 ( 5.447 12.340 -0.763) 13.510 4.741 ( -9.189 7.407 -12.325) 17.065 5.431 ( 5.198 3.396 5.798) 8.495 5.628 ( 6.232 2.802 8.111) 10.606 6.185 ( 2.735 -12.751 3.619) 13.534 6.336 ( 2.055 0.534 9.175) 9.417 6.711 ( 6.789 -9.360 0.191) 11.565 8.291 ( -4.874 4.089 -1.705) 6.586 8.789 ( -9.079 -2.106 -16.442) 18.900 8.831 ( -2.918 0.916 5.069) 5.920 10.598 ( -2.349 -1.298 -1.651) 3.151 11.008 ( -12.681 -4.296 1.284) 13.451 11.844 ( 1.167 -5.970 -1.089) 6.179 13.151 ( -3.538 15.537 -0.119) 15.935 14.777 ( -0.978 -4.004 0.936) 4.226 15.734 ( 3.939 -17.821 1.554) 18.317 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( -4.478 11.055 0.701) 11.948 3.643 ( 5.111 -0.302 -2.838) 5.854 4.184 ( 6.582 16.647 -1.847) 17.996 4.543 ( -17.496 11.325 -8.941) 22.678 5.547 ( 3.529 0.617 2.388) 4.305 5.717 ( 0.467 -3.480 7.002) 7.833 6.140 ( 4.717 -11.853 3.341) 13.188 6.338 ( -1.240 -2.628 -5.034) 5.813 6.751 ( 8.105 -10.962 4.379) 14.319 8.268 ( -2.117 3.558 0.889) 4.235 8.597 ( -6.123 7.027 -6.239) 11.216 8.881 ( 1.750 -0.241 5.738) 6.004 10.608 ( 1.554 5.669 -1.822) 6.154 10.785 ( -8.231 -5.197 1.322) 9.824 11.814 ( 1.305 -3.705 -1.707) 4.283 13.221 ( -8.173 18.198 0.117) 19.949 14.734 ( 2.797 -7.342 0.123) 7.858 15.656 ( 6.406 -16.561 0.420) 17.762 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -9.471 6.202 -3.129) 11.746 3.687 ( -0.532 0.157 0.808) 0.980 4.144 ( -17.938 4.318 -5.752) 19.327 4.588 ( 3.156 21.058 -4.224) 21.708 5.530 ( -5.370 -2.064 -0.831) 5.813 5.657 ( -2.521 -5.074 1.151) 5.781 6.132 ( 6.469 -11.380 2.405) 13.310 6.238 ( -1.939 -6.314 -9.931) 11.927 6.780 ( 6.123 -11.445 5.228) 13.993 8.286 ( -1.996 6.365 2.136) 7.004 8.669 ( 4.250 7.727 0.047) 8.819 8.936 ( 2.140 2.081 11.094) 11.489 10.646 ( -4.992 0.381 1.491) 5.224 10.748 ( 8.081 5.921 -1.698) 10.161 11.803 ( 2.453 -3.337 -2.848) 5.026 13.222 ( -11.717 16.352 0.219) 20.118 14.738 ( 5.254 -6.197 0.470) 8.138 15.634 ( 9.332 -14.579 -1.614) 17.385 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -12.081 2.265 -3.567) 12.799 3.538 ( -20.489 2.834 -2.053) 20.786 3.918 ( -8.542 1.732 0.113) 8.716 4.787 ( -0.485 14.227 -6.843) 15.795 5.394 ( -6.317 -1.815 -0.055) 6.573 5.543 ( -5.736 -3.216 -1.021) 6.654 6.087 ( -2.114 -8.352 -9.362) 12.723 6.158 ( 7.727 -9.660 1.091) 12.418 6.775 ( 4.580 -11.112 4.863) 12.966 8.338 ( -1.878 8.942 2.329) 9.430 8.746 ( 0.276 -0.761 -1.952) 2.113 9.154 ( 10.711 9.257 16.396) 21.662 10.630 ( 3.116 -0.894 1.107) 3.426 10.979 ( 9.135 11.133 -0.852) 14.426 11.821 ( 5.608 -3.994 -3.457) 7.704 13.154 ( -11.854 11.295 0.173) 16.375 14.780 ( 3.641 -2.305 1.330) 4.509 15.679 ( 12.381 -11.793 -3.564) 17.466 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( -14.823 -0.241 -2.285) 15.000 3.110 ( -29.714 2.263 -2.291) 29.888 3.818 ( -6.845 0.111 1.438) 6.995 4.720 ( -16.221 3.866 -7.038) 18.100 5.258 ( -9.627 -4.068 2.845) 10.831 5.455 ( -1.398 0.935 -0.178) 1.691 6.012 ( 4.835 -0.044 -6.898) 8.424 6.222 ( 9.827 -7.971 -0.643) 12.670 6.759 ( 3.962 -9.923 4.606) 11.636 8.394 ( -2.716 7.724 1.641) 8.351 8.698 ( -2.531 -2.007 -1.361) 3.505 9.498 ( 12.130 8.021 11.727) 18.681 10.742 ( 9.335 1.051 0.894) 9.436 11.248 ( 10.651 9.223 -0.273) 14.092 11.908 ( 10.770 -3.559 -2.572) 11.631 13.059 ( -9.184 6.209 0.072) 11.086 14.803 ( -0.913 0.390 1.666) 1.939 15.797 ( 14.258 -7.841 -4.199) 16.805 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -22.237 -2.866 -1.085) 22.447 2.616 ( -28.219 2.414 -0.602) 28.329 3.665 ( -11.209 -1.696 0.277) 11.340 4.310 ( -29.802 -0.063 -3.789) 30.042 4.961 ( -19.664 -5.841 1.377) 20.560 5.497 ( 3.429 1.468 0.893) 3.836 6.221 ( 12.900 5.726 0.070) 14.113 6.350 ( 15.122 -1.783 -3.713) 15.673 6.752 ( 3.994 -8.150 4.356) 10.067 8.382 ( -5.305 2.360 0.239) 5.811 8.643 ( -2.058 0.406 -1.226) 2.429 9.758 ( 7.823 3.673 4.849) 9.910 10.953 ( 12.245 2.459 0.633) 12.505 11.520 ( 14.861 3.397 0.082) 15.244 12.103 ( 15.125 -1.030 -0.675) 15.175 12.976 ( -5.421 2.482 -0.041) 5.962 14.758 ( -5.762 0.760 1.076) 5.910 15.969 ( 13.527 -3.490 -2.882) 14.264 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -31.017 0.000 0.000) 31.017 2.207 ( -24.377 0.000 0.000) 24.377 3.369 ( -24.882 0.000 0.000) 24.882 3.783 ( -27.718 0.000 0.000) 27.718 4.536 ( -26.074 0.000 0.000) 26.074 5.575 ( 4.269 -0.000 -0.000) 4.269 6.384 ( 6.084 -0.000 -0.000) 6.084 6.766 ( 28.175 -0.000 -0.000) 28.175 6.767 ( 3.117 -0.000 -0.000) 3.117 8.289 ( -5.369 0.000 0.000) 5.369 8.616 ( -1.832 0.000 0.000) 1.832 9.864 ( 2.006 -0.000 -0.000) 2.006 11.176 ( 11.958 -0.000 -0.000) 11.958 11.836 ( 20.401 -0.000 -0.000) 20.401 12.370 ( 16.207 -0.000 -0.000) 16.207 12.927 ( -1.775 0.000 0.000) 1.775 14.631 ( -9.744 0.000 0.000) 9.744 16.154 ( 10.529 -0.000 -0.000) 10.529 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.000 22.698 8.926) 24.390 1.974 ( 0.000 20.878 8.484) 22.536 3.154 ( 0.000 42.089 3.757) 42.257 3.395 ( -0.000 9.866 -3.227) 10.381 4.307 ( 0.000 27.274 -4.470) 27.638 5.654 ( 0.000 2.546 0.390) 2.576 6.499 ( -0.000 -0.866 -0.160) 0.880 6.546 ( -0.000 -12.141 -4.167) 12.836 7.683 ( 0.000 -25.011 13.314) 28.334 8.187 ( -0.000 0.116 -0.151) 0.190 8.388 ( 0.000 7.194 -0.445) 7.207 9.825 ( -0.000 1.944 -3.106) 3.664 11.276 ( -0.000 -14.444 0.751) 14.464 12.060 ( -0.000 -16.848 -1.652) 16.929 12.453 ( -0.000 -16.389 -6.890) 17.778 12.855 ( -0.000 -2.216 -0.667) 2.314 14.749 ( 0.000 10.924 15.734) 19.155 16.011 ( -0.000 -4.750 -15.808) 16.506 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 4.935 21.518 5.292) 22.702 2.301 ( 10.640 17.527 7.058) 21.685 3.464 ( 1.476 16.722 -1.163) 16.827 3.701 ( 14.971 24.682 -2.495) 28.975 4.574 ( 3.755 23.629 -3.646) 24.202 5.681 ( -2.522 5.647 3.884) 7.303 6.398 ( 0.546 -15.927 -0.489) 15.944 6.451 ( -3.256 -4.336 -1.012) 5.516 7.307 ( -20.004 -11.164 8.501) 24.435 8.232 ( 3.870 1.736 -0.673) 4.294 8.540 ( 6.444 3.438 0.818) 7.349 9.811 ( -1.724 -1.403 -4.601) 5.110 11.129 ( -0.593 -13.984 0.225) 13.999 11.835 ( -6.717 -16.063 1.582) 17.483 12.209 ( -5.230 -16.249 -8.858) 19.231 12.875 ( 3.838 -0.465 -0.452) 3.893 14.890 ( -0.775 7.978 14.718) 16.759 15.922 ( 1.025 -6.926 -12.554) 14.374 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 10.549 17.753 2.014) 20.748 2.708 ( 14.137 18.639 6.051) 24.163 3.633 ( 3.629 9.837 -2.858) 10.868 4.170 ( 17.972 15.362 -8.796) 25.226 4.878 ( 7.387 20.230 1.274) 21.574 5.700 ( -5.256 7.697 5.954) 11.060 6.239 ( 2.216 -21.794 2.139) 22.010 6.334 ( -5.414 -2.420 2.864) 6.586 6.961 ( -16.645 -0.714 7.609) 18.316 8.329 ( 4.758 3.315 -2.841) 6.458 8.635 ( 2.415 1.161 0.134) 2.683 9.668 ( -9.041 -5.144 -9.553) 14.123 10.972 ( -4.529 -11.397 0.592) 12.278 11.590 ( -5.377 -11.338 3.944) 13.153 11.940 ( -4.110 -15.302 -8.666) 18.060 12.962 ( 4.873 3.465 -0.689) 6.019 14.967 ( -3.215 5.209 11.397) 12.937 15.805 ( -0.236 -11.797 -7.399) 13.927 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 11.308 12.150 2.364) 16.766 3.175 ( 13.951 23.070 2.334) 27.061 3.746 ( 3.170 4.581 -4.504) 7.164 4.535 ( 16.595 7.464 -13.558) 22.692 5.210 ( 8.537 15.459 6.677) 18.880 5.679 ( -8.377 7.654 4.762) 12.306 6.087 ( 4.178 -21.736 5.543) 22.817 6.283 ( -1.358 0.315 9.999) 10.096 6.761 ( -10.588 0.702 5.419) 11.915 8.413 ( 0.992 5.218 -4.509) 6.967 8.670 ( 2.570 -1.407 -0.217) 2.938 9.355 ( -15.031 -6.657 -14.401) 21.855 10.758 ( -7.454 -9.758 1.272) 12.345 11.450 ( -8.039 -1.345 2.147) 8.428 11.744 ( 2.734 -14.829 -4.482) 15.731 13.102 ( 5.110 8.422 -0.956) 9.897 14.955 ( -6.591 2.509 7.457) 10.264 15.640 ( 0.114 -17.199 -3.069) 17.471 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 10.144 8.928 3.984) 14.089 3.546 ( 2.228 16.870 -6.058) 18.063 3.875 ( 10.776 8.316 -1.541) 13.699 4.786 ( 9.038 8.334 -14.223) 18.800 5.463 ( 2.470 7.453 8.896) 11.865 5.629 ( -3.881 4.238 4.973) 7.600 5.997 ( 5.402 -17.395 6.107) 19.210 6.349 ( 2.497 0.662 13.372) 13.619 6.624 ( -6.095 -3.187 2.302) 7.253 8.420 ( -4.880 6.265 -4.278) 9.020 8.699 ( 4.361 -4.575 -4.036) 7.500 9.003 ( -12.909 -2.827 -10.749) 17.034 10.584 ( -3.527 -6.664 1.909) 7.777 11.253 ( -13.933 1.005 -1.663) 14.068 11.715 ( 5.965 -8.072 -0.128) 10.038 13.291 ( 4.297 13.999 -0.905) 14.672 14.846 ( -8.955 -1.124 3.707) 9.757 15.471 ( 3.270 -21.152 -0.255) 21.404 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( 4.839 8.146 4.471) 10.476 3.575 ( -0.927 1.597 -8.438) 8.638 4.225 ( 10.358 19.196 -2.161) 21.919 4.875 ( -7.066 14.537 -12.281) 20.299 5.505 ( 0.075 -0.553 6.686) 6.709 5.677 ( 2.674 -3.467 6.537) 7.868 5.967 ( 4.961 -12.153 7.356) 15.047 6.370 ( -6.261 -0.256 -2.043) 6.591 6.547 ( 4.609 -9.146 7.524) 12.708 8.368 ( -4.992 4.983 -1.606) 7.234 8.668 ( -0.117 -0.480 -11.625) 11.636 8.875 ( -0.688 -0.046 3.852) 3.913 10.521 ( 1.235 -4.809 2.237) 5.445 11.037 ( -12.661 4.668 -1.911) 13.629 11.737 ( 2.877 -3.656 -0.554) 4.685 13.494 ( -0.460 19.392 -0.410) 19.401 14.681 ( -6.035 -6.082 1.175) 8.648 15.347 ( 7.135 -22.052 0.479) 23.182 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -7.754 2.834 -3.932) 9.145 3.645 ( 6.966 2.391 1.600) 7.537 4.442 ( -7.669 13.090 -6.088) 16.347 4.833 ( -8.363 21.352 -6.829) 23.927 5.534 ( 2.134 -3.591 2.695) 4.971 5.650 ( -1.570 -6.617 4.616) 8.220 5.956 ( 3.477 -10.765 8.469) 14.132 6.190 ( -5.780 -5.185 -13.529) 15.598 6.587 ( 6.086 -9.589 7.600) 13.665 8.379 ( -0.751 6.591 2.294) 7.019 8.672 ( 2.023 3.443 -6.102) 7.293 8.922 ( 3.920 -0.109 7.193) 8.193 10.507 ( 2.611 -7.675 1.197) 8.195 10.959 ( -5.624 13.686 0.073) 14.796 11.728 ( 0.722 -3.505 -2.392) 4.304 13.600 ( -10.812 19.387 0.239) 22.199 14.588 ( 3.561 -6.435 0.226) 7.358 15.287 ( 10.486 -20.564 -0.475) 23.088 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -9.782 0.019 -3.812) 10.498 3.769 ( 0.876 5.131 3.282) 6.153 4.196 ( -23.336 3.869 -4.993) 24.176 4.964 ( -2.786 20.611 -7.255) 22.027 5.467 ( -4.590 -5.129 2.907) 7.472 5.582 ( -2.238 -2.694 0.754) 3.582 5.936 ( 3.020 -9.957 4.144) 11.199 6.025 ( -0.396 -7.165 -10.136) 12.419 6.610 ( 4.979 -8.573 4.772) 11.003 8.456 ( -0.589 8.566 2.043) 8.826 8.711 ( 1.711 -1.446 -2.063) 3.045 9.087 ( 10.368 4.089 9.164) 14.429 10.483 ( 4.605 -7.628 -0.340) 8.917 11.096 ( 0.672 18.881 2.644) 19.077 11.684 ( 1.851 -6.730 -4.163) 8.127 13.506 ( -16.421 10.866 0.325) 19.693 14.673 ( 7.789 0.568 0.822) 7.853 15.305 ( 13.985 -16.597 -1.966) 21.793 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( -11.905 -0.511 -1.806) 12.052 3.655 ( -28.138 6.753 0.093) 28.937 3.899 ( -4.237 -2.797 -0.503) 5.102 4.989 ( -10.533 9.229 -5.440) 15.023 5.365 ( -5.015 -2.626 3.645) 6.733 5.507 ( -4.059 -0.119 -0.777) 4.134 5.886 ( 3.883 -4.863 -5.193) 8.105 6.015 ( 6.091 -4.813 0.914) 7.817 6.629 ( 4.002 -5.260 2.496) 7.065 8.521 ( -2.282 7.380 1.195) 7.816 8.686 ( -0.153 -3.990 -0.838) 4.080 9.372 ( 13.608 4.032 6.350) 15.549 10.545 ( 9.920 -3.734 -0.370) 10.606 11.299 ( 0.137 15.237 2.669) 15.470 11.671 ( 8.976 -8.345 -3.768) 12.822 13.309 ( -14.342 3.898 0.147) 14.863 14.798 ( 3.492 2.231 1.114) 4.291 15.438 ( 17.022 -8.284 -2.133) 19.050 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -15.306 0.000 0.000) 15.306 3.150 ( -32.096 0.000 0.000) 32.096 3.814 ( -6.745 0.000 0.000) 6.745 4.746 ( -21.355 0.000 0.000) 21.355 5.213 ( -12.561 0.000 0.000) 12.561 5.472 ( 0.149 -0.000 -0.000) 0.149 6.017 ( 14.311 -0.000 -0.000) 14.311 6.111 ( 8.026 -0.000 -0.000) 8.026 6.666 ( 3.131 -0.000 -0.000) 3.131 8.497 ( -5.299 0.000 0.000) 5.299 8.658 ( -0.413 0.000 0.000) 0.413 9.622 ( 11.541 -0.000 -0.000) 11.541 10.735 ( 13.658 -0.000 -0.000) 13.658 11.390 ( 3.748 -0.000 -0.000) 3.748 11.837 ( 14.579 -0.000 -0.000) 14.579 13.120 ( -10.025 0.000 0.000) 10.025 14.827 ( -1.435 0.000 0.000) 1.435 15.686 ( 16.545 -0.000 -0.000) 16.545 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.000 17.911 4.394) 18.442 2.364 ( 0.000 14.449 5.371) 15.415 3.565 ( -0.000 9.353 -2.816) 9.767 3.823 ( 0.000 24.686 -6.397) 25.501 4.759 ( 0.000 22.600 -1.444) 22.646 5.785 ( 0.000 4.909 8.859) 10.128 6.206 ( -0.000 -17.392 -0.306) 17.395 6.464 ( -0.000 -2.077 -1.166) 2.382 7.368 ( -0.000 -13.172 2.768) 13.459 8.228 ( 0.000 3.673 1.652) 4.027 8.557 ( 0.000 9.138 2.044) 9.364 9.794 ( -0.000 -2.689 -3.367) 4.309 10.970 ( -0.000 -16.204 -0.976) 16.233 11.749 ( -0.000 -15.743 3.502) 16.128 12.065 ( -0.000 -16.298 -10.480) 19.377 12.819 ( -0.000 -1.300 0.132) 1.307 15.003 ( 0.000 3.678 14.668) 15.122 15.834 ( -0.000 -2.510 -12.587) 12.835 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 4.871 16.137 1.284) 16.905 2.629 ( 12.695 11.892 5.324) 18.192 3.670 ( 2.453 8.789 -2.804) 9.546 4.040 ( 8.116 11.449 -12.720) 18.941 5.009 ( 2.935 22.252 3.274) 22.682 5.797 ( 1.202 -12.189 11.982) 17.134 6.090 ( -3.434 -0.489 -0.657) 3.530 6.403 ( -3.684 -1.699 0.357) 4.073 7.184 ( -9.083 -6.046 2.727) 11.247 8.291 ( 2.014 4.615 0.238) 5.041 8.657 ( 0.055 6.847 1.474) 7.004 9.708 ( -4.868 -5.306 -5.841) 9.272 10.851 ( 3.676 -13.617 -0.732) 14.124 11.555 ( -5.129 -15.851 5.965) 17.696 11.842 ( -3.856 -12.936 -11.241) 17.566 12.876 ( 6.795 0.735 -0.021) 6.835 15.060 ( -0.490 -0.466 11.282) 11.302 15.748 ( -3.847 -2.447 -8.344) 9.508 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 8.127 11.850 1.063) 14.408 3.059 ( 20.810 13.728 3.214) 25.137 3.756 ( -0.010 5.441 -5.349) 7.630 4.265 ( 15.497 4.220 -13.154) 20.760 5.290 ( 4.066 18.242 5.777) 19.563 5.719 ( 6.280 -21.611 10.328) 24.761 6.020 ( -10.337 8.097 0.896) 13.161 6.356 ( -2.426 1.482 5.962) 6.605 6.992 ( -11.253 -0.718 4.541) 12.155 8.383 ( 3.932 3.846 -1.696) 5.755 8.686 ( -2.680 3.725 -0.535) 4.620 9.468 ( -11.945 -7.682 -11.204) 18.089 10.769 ( -2.307 -9.026 0.654) 9.339 11.411 ( 5.094 -12.863 6.506) 15.288 11.620 ( -5.882 -8.862 -9.127) 14.015 13.045 ( 9.360 5.298 -0.576) 10.770 15.050 ( -1.615 -4.667 8.050) 9.444 15.584 ( -8.735 -4.980 -4.488) 11.011 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 9.868 8.087 1.892) 12.898 3.581 ( 19.244 17.326 -0.123) 25.895 3.745 ( 0.855 -0.404 -6.921) 6.985 4.557 ( 18.139 4.292 -10.363) 21.327 5.504 ( 3.105 6.915 5.444) 9.333 5.693 ( 9.013 -15.536 8.546) 19.890 5.905 ( -13.006 7.847 2.629) 15.416 6.381 ( -0.377 1.833 10.334) 10.502 6.810 ( -12.351 0.562 4.824) 13.272 8.478 ( 3.950 3.202 -2.990) 5.899 8.640 ( -4.533 0.363 -3.198) 5.560 9.130 ( -12.651 -6.574 -12.309) 18.835 10.623 ( -5.769 -4.817 3.369) 8.236 11.389 ( -4.285 -11.195 -8.693) 14.808 11.509 ( 7.926 -1.808 6.005) 10.107 13.287 ( 9.997 10.974 -0.986) 14.878 14.972 ( -3.322 -7.417 5.676) 9.913 15.332 ( -10.682 -9.702 -2.307) 14.614 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 10.456 5.403 2.659) 12.066 3.631 ( -5.280 0.554 -7.736) 9.382 4.133 ( 20.660 15.311 -1.448) 25.756 4.866 ( 14.657 7.348 -8.980) 18.694 5.568 ( 2.093 -3.558 3.654) 5.513 5.724 ( -7.708 0.122 6.834) 10.302 5.781 ( 1.109 -4.192 5.308) 6.855 6.431 ( 0.956 -0.490 9.319) 9.380 6.600 ( -14.051 -1.232 2.529) 14.330 8.513 ( -7.567 2.887 -5.253) 9.654 8.561 ( 4.840 -1.290 -4.562) 6.775 8.907 ( -4.183 -2.805 -5.057) 7.137 10.535 ( -3.626 -0.434 5.656) 6.733 11.179 ( -5.801 -6.147 -7.629) 11.386 11.649 ( 6.009 0.129 3.396) 6.904 13.587 ( 9.498 16.813 -0.988) 19.335 14.823 ( -9.952 -4.656 3.413) 11.505 15.054 ( -2.856 -19.291 -1.019) 19.528 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( -2.435 1.516 -0.713) 2.956 3.532 ( 6.102 1.176 -2.223) 6.600 4.554 ( 10.326 14.736 -3.731) 18.377 5.097 ( 2.460 13.981 -9.281) 16.961 5.507 ( -6.868 -2.242 5.128) 8.860 5.616 ( -0.844 -4.747 4.625) 6.681 5.804 ( 5.312 -10.660 6.780) 13.705 6.311 ( -15.891 -1.435 -5.716) 16.948 6.470 ( 2.099 -4.667 7.482) 9.065 8.452 ( -0.615 3.918 -1.878) 4.388 8.620 ( 3.019 0.792 -1.912) 3.660 8.865 ( 2.493 -1.991 -1.152) 3.392 10.492 ( -4.162 -0.664 4.806) 6.393 11.073 ( 0.341 0.711 -4.563) 4.631 11.712 ( -0.248 0.691 0.737) 1.041 13.895 ( 2.298 21.528 -0.363) 21.653 14.578 ( -10.934 -4.558 0.726) 11.869 14.897 ( 8.763 -23.460 0.097) 25.043 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( -7.950 -0.491 -2.481) 8.343 3.715 ( 8.501 1.876 1.603) 8.852 4.610 ( -16.520 6.306 -3.285) 17.985 5.195 ( -3.046 19.111 -7.823) 20.874 5.438 ( 0.399 -9.885 5.733) 11.434 5.573 ( -0.436 -2.342 2.301) 3.312 5.824 ( 5.848 -7.707 6.458) 11.632 6.020 ( -11.966 -2.332 -8.502) 14.863 6.489 ( 3.261 -3.806 3.149) 5.919 8.529 ( 2.141 6.698 0.357) 7.041 8.650 ( 1.701 -2.984 0.052) 3.435 8.952 ( 9.292 0.118 1.015) 9.348 10.415 ( -2.879 -2.548 1.146) 4.012 11.177 ( 7.236 6.754 0.234) 9.901 11.657 ( -5.296 -1.922 -1.343) 5.792 13.911 ( -18.871 9.573 0.267) 21.162 14.561 ( 8.226 5.474 0.198) 9.883 14.881 ( 14.536 -18.777 -0.568) 23.753 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( -9.643 0.000 0.000) 9.643 3.845 ( 4.840 -0.000 -0.000) 4.840 4.216 ( -29.128 0.000 0.000) 29.128 5.207 ( -9.232 0.000 0.000) 9.232 5.382 ( 1.154 -0.000 -0.000) 1.154 5.563 ( -1.811 0.000 0.000) 1.811 5.842 ( -4.177 0.000 0.000) 4.177 5.900 ( 5.483 -0.000 -0.000) 5.483 6.538 ( 4.165 -0.000 -0.000) 4.165 8.608 ( -1.521 0.000 0.000) 1.521 8.631 ( 2.317 -0.000 -0.000) 2.317 9.164 ( 13.829 -0.000 -0.000) 13.829 10.403 ( 3.707 -0.000 -0.000) 3.707 11.397 ( 11.536 -0.000 -0.000) 11.536 11.508 ( -7.997 0.000 0.000) 7.997 13.614 ( -18.917 0.000 0.000) 18.917 14.735 ( 6.128 -0.000 -0.000) 6.128 15.075 ( 18.974 -0.000 -0.000) 18.974 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 0.000 9.271 3.086) 9.771 2.645 ( 0.000 13.081 1.451) 13.161 3.712 ( -0.000 7.179 -2.185) 7.505 4.009 ( -0.000 4.415 -15.426) 16.045 5.222 ( 0.000 22.229 5.310) 22.854 5.597 ( 0.000 -25.983 10.041) 27.855 6.236 ( 0.000 14.521 2.439) 14.724 6.412 ( -0.000 -2.153 -1.286) 2.508 7.181 ( -0.000 -6.764 -1.559) 6.942 8.344 ( 0.000 6.182 2.517) 6.675 8.750 ( 0.000 8.176 3.147) 8.761 9.686 ( -0.000 -5.540 -3.686) 6.655 10.654 ( -0.000 -14.470 -1.866) 14.589 11.470 ( 0.000 -16.775 5.674) 17.709 11.726 ( -0.000 -9.459 -10.987) 14.498 12.804 ( 0.000 -0.505 0.464) 0.686 15.072 ( 0.000 -3.568 6.397) 7.325 15.771 ( -0.000 1.799 -3.912) 4.305 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 3.893 10.406 0.716) 11.134 2.847 ( 15.271 7.978 2.139) 17.362 3.786 ( 0.914 4.980 -3.535) 6.175 4.035 ( 8.268 0.257 -13.491) 15.825 5.400 ( 3.276 -16.890 6.045) 18.236 5.468 ( 2.230 10.916 8.106) 13.778 6.284 ( -8.222 7.711 0.935) 11.310 6.421 ( -0.032 5.105 2.980) 5.911 7.096 ( -3.157 -3.646 -0.703) 4.873 8.407 ( -0.494 5.833 2.388) 6.323 8.796 ( -3.882 5.723 1.734) 7.129 9.538 ( -8.493 -7.162 -6.801) 13.026 10.610 ( 8.687 -9.885 -1.089) 13.204 11.272 ( -3.951 -16.143 3.966) 17.086 11.599 ( -2.505 -5.425 -7.012) 9.213 12.899 ( 10.200 1.362 0.172) 10.292 15.030 ( -1.514 -6.154 3.027) 7.024 15.722 ( -7.439 1.823 -0.553) 7.680 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 6.896 7.116 1.100) 9.970 3.282 ( 25.200 7.703 0.447) 26.355 3.773 ( -2.873 1.158 -6.934) 7.595 4.240 ( 17.845 1.534 -7.335) 19.354 5.325 ( 8.209 -18.724 5.615) 21.202 5.651 ( 0.934 11.761 5.723) 13.113 6.198 ( -9.913 6.158 1.933) 11.829 6.465 ( -2.706 4.821 5.797) 8.010 6.993 ( -6.748 -0.935 1.370) 6.949 8.458 ( 0.069 3.660 1.847) 4.100 8.754 ( -6.034 3.387 -1.065) 7.001 9.238 ( -13.245 -7.571 -10.381) 18.453 10.650 ( 1.417 -3.221 0.740) 3.596 11.142 ( 6.171 -14.960 0.435) 16.188 11.503 ( -1.742 -1.424 -1.788) 2.873 13.152 ( 15.067 5.532 -0.252) 16.053 14.918 ( -3.257 -9.672 1.458) 10.310 15.547 ( -14.672 0.646 0.828) 14.710 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 9.085 4.269 1.210) 10.111 3.668 ( -0.294 -2.038 -5.598) 5.964 3.840 ( 24.057 9.282 -0.865) 25.800 4.574 ( 20.649 2.446 -4.582) 21.292 5.353 ( 10.781 -11.947 3.334) 16.434 5.752 ( -1.057 5.128 4.410) 6.846 6.064 ( -14.184 5.349 2.237) 15.323 6.471 ( -2.201 1.232 6.305) 6.791 6.845 ( -11.820 0.311 2.583) 12.103 8.473 ( -0.647 -1.620 -0.981) 2.001 8.674 ( -5.940 5.117 -3.403) 8.547 8.943 ( -8.559 -5.690 -6.848) 12.350 10.632 ( -2.897 2.824 5.187) 6.578 11.080 ( 2.064 -12.934 -7.209) 14.950 11.554 ( 6.939 1.243 2.931) 7.635 13.500 ( 16.659 10.375 -0.503) 19.632 14.754 ( -2.871 -13.162 0.823) 13.497 15.251 ( -20.145 -0.811 0.909) 20.182 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 10.328 1.910 0.932) 10.544 3.578 ( -4.882 -0.864 -3.096) 5.845 4.346 ( 23.909 6.280 -1.136) 24.746 4.928 ( 18.941 2.782 -2.940) 19.368 5.469 ( 11.063 -4.206 1.354) 11.913 5.741 ( -4.331 -0.474 2.534) 5.040 5.824 ( -18.517 1.279 2.189) 18.690 6.461 ( -1.300 -0.596 3.383) 3.673 6.600 ( -17.806 -0.178 0.901) 17.830 8.426 ( 0.948 -1.976 -3.353) 4.006 8.661 ( -2.962 6.138 0.929) 6.878 8.803 ( -0.418 -4.798 -3.193) 5.779 10.629 ( -6.228 4.310 6.053) 9.695 10.974 ( 3.315 -7.200 -6.762) 10.419 11.695 ( 5.238 1.271 1.571) 5.614 13.904 ( 16.820 13.677 -0.473) 21.683 14.594 ( 0.577 -14.658 0.459) 14.677 14.872 ( -22.677 -1.771 0.459) 22.751 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( -6.374 0.000 0.000) 6.374 3.562 ( 10.377 -0.000 -0.000) 10.377 4.694 ( 10.763 -0.000 -0.000) 10.763 5.219 ( 12.822 -0.000 -0.000) 12.822 5.505 ( -17.123 0.000 0.000) 17.123 5.638 ( -6.377 0.000 0.000) 6.377 5.644 ( 10.230 -0.000 -0.000) 10.230 6.275 ( -18.961 0.000 0.000) 18.961 6.450 ( 0.245 -0.000 -0.000) 0.245 8.478 ( 5.724 -0.000 -0.000) 5.724 8.647 ( -2.053 0.000 0.000) 2.053 8.820 ( 5.431 -0.000 -0.000) 5.431 10.516 ( -8.642 0.000 0.000) 8.642 11.049 ( 8.811 -0.000 -0.000) 8.811 11.731 ( -2.185 0.000 0.000) 2.185 14.227 ( 0.203 -0.000 -0.000) 0.203 14.524 ( 3.743 -0.000 -0.000) 3.743 14.552 ( -4.480 0.000 0.000) 4.480 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 0.000 5.162 1.591) 5.402 2.861 ( 0.000 8.513 0.270) 8.517 3.813 ( -0.000 4.347 -1.417) 4.572 3.905 ( -0.000 -2.863 -12.893) 13.207 5.171 ( 0.000 -20.931 6.505) 21.918 5.637 ( 0.000 15.002 5.151) 15.861 6.369 ( -0.000 -1.366 -0.774) 1.571 6.531 ( 0.000 11.970 2.805) 12.295 7.074 ( -0.000 -3.006 -2.061) 3.645 8.483 ( 0.000 5.643 2.903) 6.346 8.900 ( 0.000 4.922 2.426) 5.487 9.545 ( -0.000 -5.779 -3.713) 6.869 10.403 ( -0.000 -9.580 -1.519) 9.700 11.184 ( -0.000 -13.448 1.251) 13.507 11.556 ( -0.000 -3.457 -4.502) 5.676 12.802 ( 0.000 -0.034 0.384) 0.386 15.002 ( -0.000 -4.613 0.532) 4.643 15.813 ( 0.000 2.293 1.303) 2.637 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 5.957 3.972 4.234) 8.318 2.974 ( 13.753 5.495 -3.223) 15.157 3.796 ( -2.042 -0.521 -5.840) 6.209 3.970 ( 11.841 0.583 -4.370) 12.635 5.057 ( 5.145 -14.802 4.486) 16.301 5.773 ( -0.209 9.745 3.647) 10.407 6.334 ( -2.729 0.344 0.428) 2.784 6.605 ( -3.796 7.484 2.534) 8.766 7.038 ( -1.182 -1.546 -1.244) 2.310 8.531 ( -1.316 4.395 2.901) 5.428 8.892 ( -5.836 2.843 1.369) 6.634 9.362 ( -11.879 -5.625 -5.690) 14.322 10.460 ( 13.337 -4.722 -0.804) 14.171 11.023 ( -4.415 -9.948 0.942) 10.924 11.505 ( -1.332 -1.743 -2.112) 3.045 12.926 ( 13.244 1.098 0.158) 13.291 14.924 ( -4.245 -4.509 -0.148) 6.195 15.765 ( -8.443 1.455 1.492) 8.697 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 6.202 2.564 0.669) 6.744 3.371 ( 25.341 1.983 -0.594) 25.426 3.743 ( -1.134 0.023 -3.065) 3.269 4.233 ( 18.898 0.705 -1.932) 19.009 5.086 ( 9.583 -7.301 2.102) 12.229 5.838 ( -1.466 4.223 2.003) 4.899 6.281 ( -6.021 1.615 1.029) 6.318 6.574 ( -5.844 2.533 2.160) 6.726 6.984 ( -4.376 -0.359 0.050) 4.391 8.533 ( -3.885 1.843 2.234) 4.846 8.796 ( -6.579 1.489 -0.776) 6.790 9.066 ( -13.592 -3.692 -4.879) 14.906 10.652 ( 8.588 2.065 0.720) 8.862 10.896 ( 0.388 -8.588 -0.796) 8.634 11.486 ( 1.777 -0.173 -0.022) 1.786 13.237 ( 20.146 2.576 -0.022) 20.310 14.773 ( -7.931 -4.359 -0.100) 9.050 15.569 ( -16.024 0.486 0.842) 16.054 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 8.761 -0.000 -0.000) 8.761 3.624 ( -0.362 0.000 0.000) 0.362 3.928 ( 25.873 -0.000 -0.000) 25.873 4.583 ( 21.533 -0.000 -0.000) 21.533 5.242 ( 12.095 -0.000 -0.000) 12.095 5.819 ( -3.473 0.000 0.000) 3.473 6.126 ( -14.035 0.000 0.000) 14.035 6.505 ( -3.511 0.000 0.000) 3.511 6.857 ( -11.267 0.000 0.000) 11.267 8.447 ( -5.404 0.000 0.000) 5.404 8.744 ( -0.781 0.000 0.000) 0.781 8.836 ( -9.857 0.000 0.000) 9.857 10.762 ( -1.085 0.000 0.000) 1.085 10.843 ( 2.297 -0.000 -0.000) 2.297 11.578 ( 8.062 -0.000 -0.000) 8.062 13.618 ( 22.011 -0.000 -0.000) 22.011 14.604 ( -7.795 0.000 0.000) 7.795 15.251 ( -21.480 0.000 0.000) 21.480 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 0.000 1.654 0.495) 1.727 2.979 ( 0.000 3.207 0.089) 3.208 3.785 ( -0.000 -2.047 -4.932) 5.340 3.862 ( -0.000 1.439 -0.496) 1.522 4.911 ( 0.000 -7.914 2.402) 8.270 5.858 ( 0.000 5.070 1.791) 5.377 6.348 ( -0.000 -0.443 -0.231) 0.499 6.708 ( 0.000 4.384 1.161) 4.535 7.029 ( -0.000 -0.741 -0.899) 1.165 8.583 ( 0.000 2.418 1.552) 2.873 8.973 ( 0.000 1.500 0.842) 1.721 9.436 ( -0.000 -2.660 -1.853) 3.241 10.269 ( -0.000 -3.258 -0.531) 3.301 11.003 ( -0.000 -4.899 -0.079) 4.900 11.499 ( -0.000 -0.884 -0.991) 1.328 12.805 ( 0.000 0.055 0.140) 0.150 14.935 ( -0.000 -1.824 -0.305) 1.849 15.854 ( 0.000 0.820 0.967) 1.268 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 16.728 -0.000 -0.000) 16.728 3.019 ( 2.896 -0.000 -0.000) 2.896 3.757 ( -1.029 0.000 0.000) 1.029 3.969 ( 11.441 -0.000 -0.000) 11.441 4.923 ( 5.438 -0.000 -0.000) 5.438 5.881 ( -0.628 0.000 0.000) 0.628 6.338 ( -1.111 0.000 0.000) 1.111 6.691 ( -4.660 0.000 0.000) 4.660 7.019 ( -0.847 0.000 0.000) 0.847 8.590 ( -1.071 0.000 0.000) 1.071 8.924 ( -6.358 0.000 0.000) 6.358 9.279 ( -13.550 0.000 0.000) 13.550 10.412 ( 15.515 -0.000 -0.000) 15.515 10.925 ( -5.214 0.000 0.000) 5.214 11.483 ( -0.881 0.000 0.000) 0.881 12.938 ( 14.526 -0.000 -0.000) 14.526 14.877 ( -5.533 0.000 0.000) 5.533 15.786 ( -8.649 0.000 0.000) 8.649 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( 0.000 -0.000 30.762) 30.762 0.316 ( 0.000 -0.000 30.762) 30.762 0.555 ( 0.000 -0.000 54.252) 54.252 3.077 ( -0.000 0.000 -1.961) 1.961 3.077 ( -0.000 0.000 -1.961) 1.961 5.712 ( -0.000 0.000 -4.507) 4.507 6.480 ( 0.000 -0.000 0.450) 0.450 6.480 ( 0.000 -0.000 0.450) 0.450 8.227 ( -0.000 0.000 -0.955) 0.955 8.227 ( -0.000 0.000 -0.955) 0.955 9.457 ( -0.000 0.000 -1.440) 1.440 11.200 ( 0.000 -0.000 2.655) 2.655 11.702 ( 0.000 -0.000 0.770) 0.770 11.702 ( 0.000 -0.000 0.770) 0.770 12.985 ( -0.000 0.000 -0.459) 0.459 12.985 ( -0.000 0.000 -0.459) 0.459 13.076 ( -0.000 0.000 -0.898) 0.898 16.100 ( -0.000 0.000 -0.269) 0.269 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 24.396 14.085 11.416) 30.396 0.724 ( 17.475 10.089 23.847) 31.239 1.388 ( 43.663 25.209 27.178) 57.277 3.126 ( 4.391 2.535 -1.925) 5.424 3.255 ( 16.140 9.319 -3.399) 18.944 5.680 ( -1.116 -0.644 -6.056) 6.191 6.477 ( -0.033 -0.019 -0.004) 0.039 6.674 ( 6.743 3.893 -16.219) 17.991 7.898 ( -25.122 -14.504 -0.175) 29.009 8.267 ( 2.847 1.644 0.249) 3.297 9.160 ( -27.866 -16.088 41.545) 52.549 9.639 ( 4.833 2.791 8.456) 10.132 11.632 ( -5.607 -3.237 -0.243) 6.479 12.729 ( -8.957 -5.171 -16.069) 19.110 12.924 ( -5.198 -3.001 -6.542) 8.878 12.979 ( -0.894 -0.516 0.251) 1.062 13.863 ( 28.742 16.594 -14.269) 36.126 16.309 ( 8.118 4.687 -14.090) 16.924 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 23.063 13.315 13.194) 29.720 1.315 ( 24.691 14.256 5.437) 29.025 2.459 ( 43.042 24.850 19.687) 53.457 3.250 ( 6.893 3.980 -2.077) 8.226 3.724 ( 25.107 14.496 -4.728) 29.375 5.621 ( -2.138 -1.234 -6.455) 6.911 6.478 ( 0.195 0.113 -0.471) 0.522 6.722 ( 3.298 1.904 -14.276) 14.775 7.279 ( -27.306 -15.765 -3.470) 31.721 8.353 ( 4.377 2.527 1.510) 5.275 8.871 ( -12.302 -7.102 22.803) 26.866 9.774 ( 3.575 2.064 -1.149) 4.285 11.456 ( -9.535 -5.505 -1.189) 11.074 12.400 ( -15.388 -8.884 -7.263) 19.195 12.723 ( -9.698 -5.599 -7.196) 13.311 12.949 ( -1.923 -1.110 0.820) 2.367 14.264 ( 12.546 7.244 3.193) 14.835 16.378 ( 1.844 1.064 -6.357) 6.704 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 24.562 14.181 7.823) 29.421 1.853 ( 21.269 12.279 3.939) 24.873 3.406 ( 7.307 4.219 -2.537) 8.811 3.434 ( 37.356 21.567 15.613) 45.874 4.296 ( 26.052 15.041 -6.291) 30.733 5.544 ( -2.877 -1.661 -4.795) 5.833 6.481 ( 0.183 0.106 -0.785) 0.813 6.677 ( -17.037 -9.836 -12.187) 23.142 6.771 ( -1.821 -1.051 -1.271) 2.457 8.467 ( 5.024 2.901 2.503) 6.319 8.682 ( -10.616 -6.129 15.527) 19.783 9.751 ( -4.723 -2.727 -7.269) 9.087 11.207 ( -11.710 -6.761 -1.823) 13.644 12.016 ( -16.396 -9.466 -3.444) 19.244 12.468 ( -10.337 -5.968 -6.211) 13.455 12.903 ( -2.323 -1.341 1.077) 2.890 14.509 ( 8.296 4.790 4.958) 10.786 16.361 ( -2.089 -1.206 -1.463) 2.821 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 16.782 9.689 3.695) 19.728 2.404 ( 24.158 13.948 4.904) 28.323 3.550 ( 6.022 3.477 -3.076) 7.604 4.217 ( 27.054 15.620 9.521) 32.658 4.811 ( 20.792 12.004 -6.665) 24.917 5.468 ( -2.664 -1.538 -1.277) 3.330 6.303 ( -10.922 -6.306 4.350) 13.340 6.478 ( -0.253 -0.146 -0.815) 0.865 6.813 ( 4.013 2.317 -7.906) 9.163 8.493 ( -10.107 -5.835 11.265) 16.220 8.590 ( 4.917 2.839 2.856) 6.356 9.509 ( -13.189 -7.615 -13.566) 20.396 10.929 ( -11.959 -6.905 -1.956) 13.947 11.656 ( -14.432 -8.332 -1.676) 16.748 12.233 ( -8.673 -5.008 -3.965) 10.771 12.856 ( -1.970 -1.137 0.998) 2.484 14.679 ( 5.616 3.242 3.449) 7.345 16.281 ( -4.783 -2.761 1.283) 5.670 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 12.037 6.949 3.438) 14.318 2.950 ( 22.947 13.248 3.030) 26.669 3.652 ( 3.971 2.292 -3.170) 5.574 4.632 ( 7.193 4.153 -5.303) 9.855 5.193 ( 13.928 8.041 1.797) 16.183 5.451 ( 2.687 1.551 4.020) 5.078 6.240 ( 1.714 0.990 11.331) 11.503 6.463 ( -0.816 -0.471 -0.638) 1.138 6.884 ( 4.326 2.498 -6.594) 8.272 8.315 ( -8.117 -4.686 8.334) 12.542 8.704 ( 4.228 2.441 2.506) 5.488 9.097 ( -17.675 -10.205 -16.879) 26.485 10.667 ( -10.423 -6.018 -1.618) 12.144 11.361 ( -11.183 -6.457 -1.231) 12.972 12.056 ( -6.088 -3.515 -1.953) 7.296 12.824 ( -1.163 -0.671 0.717) 1.522 14.791 ( 3.631 2.096 1.507) 4.455 16.165 ( -5.733 -3.310 2.360) 7.028 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 7.065 4.079 2.287) 8.472 3.459 ( 21.401 12.356 1.438) 24.753 3.711 ( 2.225 1.285 -2.195) 3.380 4.549 ( -8.972 -5.180 -13.100) 16.701 5.425 ( 6.695 3.865 5.098) 9.260 5.642 ( 8.548 4.935 10.094) 14.118 6.346 ( 2.757 1.592 6.143) 6.919 6.441 ( -0.927 -0.535 -0.511) 1.186 6.958 ( 3.809 2.199 -4.131) 6.034 8.209 ( -2.967 -1.713 7.225) 7.996 8.656 ( -15.491 -8.944 -12.708) 21.943 8.793 ( 2.894 1.671 1.851) 3.820 10.461 ( -7.206 -4.161 -1.115) 8.396 11.147 ( -7.222 -4.170 -1.471) 8.468 11.943 ( -3.550 -2.050 -1.209) 4.274 12.808 ( -0.452 -0.261 0.408) 0.662 14.858 ( 2.171 1.254 0.193) 2.515 16.050 ( -4.864 -2.808 2.004) 5.963 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 1.754 1.013 0.074) 2.027 3.745 ( 1.271 0.734 -0.064) 1.469 3.922 ( 19.266 11.123 -0.707) 22.258 4.226 ( -14.689 -8.481 -12.868) 21.290 5.544 ( 1.727 0.997 2.476) 3.179 5.779 ( 0.232 0.134 6.349) 6.355 6.370 ( -0.532 -0.307 -2.752) 2.820 6.423 ( -0.400 -0.231 -0.574) 0.737 7.021 ( 2.301 1.328 -1.310) 2.962 8.213 ( -1.368 -0.790 0.369) 1.622 8.403 ( -1.873 -1.081 7.968) 8.257 8.842 ( 0.867 0.501 1.324) 1.660 10.345 ( -2.501 -1.444 -0.752) 2.985 11.031 ( -2.415 -1.394 -1.812) 3.325 11.884 ( -1.248 -0.720 -1.630) 2.175 12.803 ( -0.151 -0.087 0.150) 0.229 14.894 ( 0.961 0.555 -0.077) 1.113 15.968 ( -2.567 -1.482 0.417) 2.993 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -3.321 -1.918 -1.941) 4.298 3.768 ( 0.317 0.183 1.976) 2.009 3.812 ( -17.556 -10.136 -11.721) 23.416 4.323 ( 15.900 9.180 -2.982) 18.601 5.488 ( -5.721 -3.303 -4.093) 7.771 5.718 ( -5.611 -3.239 -0.316) 6.486 6.324 ( -2.957 -1.707 -3.571) 4.941 6.421 ( 0.454 0.262 -0.741) 0.908 7.048 ( 0.284 0.164 0.811) 0.874 8.140 ( -1.994 -1.151 0.275) 2.319 8.622 ( 12.668 7.314 20.778) 25.411 8.838 ( -1.567 -0.905 0.977) 2.057 10.348 ( 2.930 1.692 -0.526) 3.424 11.029 ( 2.833 1.636 -1.918) 3.792 11.876 ( 1.187 0.686 -2.513) 2.862 12.800 ( -0.083 -0.048 -0.077) 0.123 14.901 ( -0.427 -0.247 0.629) 0.799 15.942 ( 0.538 0.311 -2.025) 2.118 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -7.702 -4.447 -2.471) 9.231 3.355 ( -19.679 -11.361 -9.142) 24.493 3.764 ( -1.550 -0.895 2.698) 3.237 4.589 ( 7.689 4.439 -7.356) 11.530 5.342 ( -4.547 -2.625 -4.451) 6.883 5.546 ( -8.207 -4.738 -1.905) 9.666 6.197 ( -7.001 -4.042 -2.794) 8.553 6.437 ( 1.164 0.672 -0.820) 1.574 7.048 ( -0.770 -0.445 3.589) 3.697 8.147 ( 1.817 1.049 2.231) 3.062 8.779 ( -3.844 -2.220 0.534) 4.471 9.030 ( 16.081 9.284 20.585) 27.722 10.471 ( 7.854 4.534 -0.182) 9.071 11.144 ( 7.770 4.486 -1.484) 9.094 11.926 ( 4.257 2.458 -3.047) 5.784 12.800 ( 0.169 0.098 -0.326) 0.380 14.875 ( -2.311 -1.334 1.855) 3.249 15.979 ( 3.628 2.094 -4.668) 6.272 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -11.835 -6.833 -1.505) 13.748 2.862 ( -21.706 -12.532 -6.104) 25.797 3.710 ( -4.125 -2.382 2.194) 5.245 4.520 ( -12.649 -7.303 -10.145) 17.784 5.226 ( -7.397 -4.271 -1.591) 8.688 5.434 ( -0.177 -0.102 1.999) 2.010 6.065 ( -0.692 -0.400 -2.670) 2.787 6.464 ( 1.286 0.742 -0.611) 1.605 7.043 ( -1.266 -0.731 7.751) 7.888 8.219 ( 3.964 2.288 -0.751) 4.638 8.674 ( -5.330 -3.077 -0.274) 6.160 9.442 ( 14.065 8.120 15.262) 22.287 10.690 ( 11.206 6.470 0.467) 12.947 11.366 ( 12.025 6.943 -0.303) 13.888 12.054 ( 7.999 4.618 -2.624) 9.602 12.809 ( 0.830 0.479 -0.640) 1.152 14.806 ( -4.656 -2.688 3.136) 6.223 16.067 ( 5.737 3.312 -6.857) 9.534 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -16.294 -9.407 0.529) 18.822 2.333 ( -23.773 -13.725 -2.592) 27.572 3.594 ( -6.530 -3.770 1.040) 7.612 3.990 ( -29.591 -17.085 -8.998) 35.334 4.909 ( -20.040 -11.570 -1.235) 23.173 5.507 ( 4.059 2.344 5.190) 6.994 6.244 ( 16.252 9.383 -1.753) 18.848 6.486 ( 0.735 0.425 -0.088) 0.854 7.056 ( -0.257 -0.148 14.276) 14.279 8.307 ( 4.746 2.740 -6.706) 8.660 8.545 ( -5.671 -3.274 -1.348) 6.686 9.735 ( 7.934 4.581 7.837) 12.056 10.964 ( 12.504 7.219 1.286) 14.496 11.680 ( 15.565 8.986 1.089) 18.005 12.267 ( 11.344 6.549 -1.386) 13.172 12.835 ( 1.696 0.979 -1.009) 2.203 14.685 ( -7.195 -4.154 4.463) 9.431 16.179 ( 6.212 3.587 -8.350) 11.008 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -25.481 -14.711 1.697) 29.472 1.847 ( -21.145 -12.208 3.335) 24.643 3.176 ( -39.334 -22.710 -7.376) 46.014 3.431 ( -7.722 -4.458 -0.252) 8.920 4.370 ( -26.143 -15.093 -0.149) 30.187 5.611 ( 3.569 2.061 2.804) 4.985 6.495 ( 0.003 0.002 0.493) 0.493 6.644 ( 15.401 8.892 -4.861) 18.436 7.201 ( 9.898 5.715 27.580) 29.854 8.377 ( 4.374 2.525 -13.823) 14.717 8.417 ( -4.992 -2.882 -2.196) 6.169 9.844 ( 0.370 0.213 1.701) 1.754 11.247 ( 11.698 6.754 1.905) 13.642 12.063 ( 17.604 10.163 1.153) 20.360 12.541 ( 12.641 7.298 -0.385) 14.602 12.877 ( 2.298 1.327 -1.312) 2.961 14.513 ( -9.561 -5.520 6.137) 12.631 16.280 ( 5.163 2.981 -9.344) 11.083 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -26.005 -15.014 7.948) 31.062 1.333 ( -25.674 -14.823 7.077) 30.479 2.191 ( -45.588 -26.320 -4.243) 52.811 3.259 ( -6.914 -3.992 -1.291) 8.087 3.777 ( -25.282 -14.597 0.094) 29.193 5.681 ( 2.228 1.287 -0.246) 2.585 6.492 ( -0.390 -0.225 0.809) 0.926 6.812 ( 3.311 1.912 -6.757) 7.764 7.722 ( 22.926 13.237 38.229) 46.501 8.311 ( -3.586 -2.071 -2.390) 4.781 8.406 ( 3.502 2.022 -20.597) 20.990 9.775 ( -6.082 -3.511 -1.291) 7.140 11.490 ( 8.932 5.157 2.029) 10.511 12.461 ( 17.100 9.872 -1.310) 19.788 12.810 ( 10.807 6.239 -1.082) 12.526 12.925 ( 2.271 1.311 -1.369) 2.958 14.299 ( -11.338 -6.546 7.206) 14.944 16.343 ( 3.381 1.952 -10.611) 11.307 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 0.000 26.892 18.964) 32.906 0.932 ( 0.000 27.473 20.131) 34.059 1.331 ( 0.000 38.861 30.757) 49.560 3.098 ( -0.000 4.454 -3.713) 5.799 3.268 ( 0.000 19.649 -2.586) 19.819 5.660 ( -0.000 -0.683 -7.325) 7.357 6.494 ( 0.000 0.563 0.998) 1.146 6.628 ( -0.000 7.382 -12.665) 14.659 8.181 ( -0.000 -0.953 -5.814) 5.892 8.221 ( -0.000 1.531 -2.321) 2.781 9.145 ( 0.000 -56.108 46.216) 72.692 9.619 ( 0.000 0.789 7.368) 7.410 11.670 ( 0.000 -4.995 1.942) 5.359 12.649 ( -0.000 -6.449 -19.692) 20.722 12.940 ( -0.000 -5.571 -3.404) 6.528 12.953 ( -0.000 -2.036 -1.256) 2.392 13.883 ( -0.000 44.347 -12.546) 46.087 16.176 ( -0.000 1.787 -13.436) 13.554 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 5.816 21.397 21.118) 30.621 1.324 ( 8.241 30.523 9.267) 32.946 2.149 ( 32.060 33.996 20.482) 51.021 3.208 ( 6.206 7.370 -4.018) 10.439 3.563 ( 11.012 23.385 -3.033) 26.025 5.618 ( -1.315 -0.356 -7.782) 7.900 6.485 ( -1.457 0.075 0.495) 1.541 6.658 ( 1.813 2.871 -11.451) 11.944 7.717 ( -35.503 -6.143 -1.681) 36.069 8.285 ( 4.173 -0.462 1.384) 4.421 8.893 ( 3.057 -26.905 25.017) 36.865 9.729 ( 4.734 4.181 -0.502) 6.336 11.549 ( -7.066 -6.285 0.795) 9.490 12.447 ( -6.775 -12.529 -11.006) 18.000 12.772 ( -7.485 -8.983 -5.259) 12.821 12.942 ( 0.656 -2.570 -0.550) 2.709 14.268 ( 5.078 22.502 3.647) 23.354 16.222 ( 8.844 -3.965 -12.230) 15.605 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 16.186 19.762 13.194) 28.751 1.799 ( 11.445 25.649 6.202) 28.763 3.057 ( 31.966 21.570 12.892) 40.661 3.411 ( 8.512 14.655 -1.925) 17.057 4.041 ( 19.759 20.726 -4.052) 28.921 5.560 ( -2.375 0.156 -6.620) 7.035 6.452 ( -1.150 -2.645 -0.417) 2.914 6.671 ( 1.907 1.102 -10.996) 11.215 7.075 ( -30.327 -6.147 2.508) 31.045 8.370 ( 6.153 -2.454 3.197) 7.355 8.782 ( -2.234 -11.719 13.105) 17.722 9.775 ( -1.822 0.309 -5.508) 5.810 11.335 ( -10.530 -6.511 -0.394) 12.387 12.125 ( -11.942 -13.894 -4.721) 18.919 12.516 ( -7.967 -10.733 -6.915) 15.049 12.923 ( -0.507 -1.279 0.105) 1.380 14.524 ( 2.621 13.484 8.206) 16.001 16.265 ( 6.206 -7.454 -7.158) 12.054 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 19.801 18.656 7.406) 28.196 2.237 ( 11.072 20.509 5.116) 23.861 3.482 ( 7.732 6.657 -2.229) 10.444 3.972 ( 26.255 21.776 5.863) 34.611 4.562 ( 20.891 16.034 -3.254) 26.535 5.502 ( -2.860 0.841 -3.705) 4.756 6.371 ( -3.714 -6.541 0.191) 7.524 6.583 ( -11.416 -0.557 -1.541) 11.533 6.752 ( -1.098 -0.584 -0.092) 1.247 8.439 ( 4.228 -6.870 5.158) 9.575 8.691 ( -3.793 -1.138 6.923) 7.975 9.617 ( -11.070 -4.363 -11.578) 16.602 11.074 ( -12.373 -5.893 -1.096) 13.749 11.770 ( -12.610 -12.832 -1.688) 18.070 12.269 ( -6.165 -10.114 -5.867) 13.218 12.904 ( -1.713 1.410 0.381) 2.251 14.687 ( 1.228 8.207 6.912) 10.799 16.235 ( 2.433 -9.898 -2.677) 10.538 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 8.133 16.967 4.563) 19.361 2.733 ( 20.563 16.752 3.415) 26.742 3.627 ( 3.575 6.498 -3.284) 8.111 4.500 ( 14.700 10.618 -7.381) 19.578 5.027 ( 17.475 12.063 4.606) 21.728 5.464 ( -1.328 1.796 0.464) 2.281 6.277 ( -1.564 -1.179 9.170) 9.376 6.458 ( -2.828 -3.158 1.871) 4.634 6.783 ( 4.828 -1.725 -3.236) 6.063 8.383 ( -3.388 -7.429 5.516) 9.854 8.710 ( 1.234 3.921 3.594) 5.460 9.259 ( -17.654 -7.340 -15.757) 24.775 10.809 ( -11.924 -4.335 -1.514) 12.778 11.448 ( -11.072 -10.938 -0.716) 15.581 12.078 ( -3.919 -8.005 -3.690) 9.647 12.898 ( -2.885 5.076 0.399) 5.852 14.780 ( 0.866 3.666 4.166) 5.617 16.145 ( 0.082 -11.333 0.063) 11.333 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 4.039 13.750 3.444) 14.739 3.233 ( 19.613 13.718 0.087) 23.934 3.722 ( 1.639 6.927 -2.413) 7.516 4.601 ( -3.777 2.434 -16.817) 17.407 5.364 ( 8.162 5.602 7.194) 12.238 5.575 ( 8.788 5.322 9.630) 14.081 6.334 ( 2.265 0.253 7.455) 7.796 6.401 ( 0.352 -5.425 1.738) 5.708 6.846 ( 6.510 -3.408 -1.808) 7.567 8.273 ( -4.307 -3.001 4.099) 6.661 8.782 ( -0.919 0.943 -4.258) 4.456 8.835 ( -14.686 -3.696 -6.196) 16.362 10.591 ( -9.935 -0.712 -1.622) 10.092 11.179 ( -7.853 -10.318 -0.782) 12.990 11.951 ( -2.175 -5.434 -2.385) 6.321 12.908 ( -4.256 8.784 0.322) 9.766 14.824 ( 1.497 -0.357 1.707) 2.298 16.030 ( -0.367 -11.507 1.103) 11.565 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( -1.081 10.594 1.059) 10.702 3.613 ( 12.864 2.784 -2.696) 13.435 3.859 ( 6.104 14.756 -0.501) 15.977 4.389 ( -14.424 0.720 -16.367) 21.828 5.526 ( 4.203 2.593 4.953) 6.994 5.776 ( 3.768 0.570 10.718) 11.375 6.337 ( 1.272 -5.649 -0.284) 5.797 6.376 ( 0.538 -3.515 -2.313) 4.242 6.921 ( 6.678 -4.473 0.942) 8.093 8.233 ( -0.857 0.318 2.858) 3.001 8.512 ( -9.180 -0.679 -1.885) 9.396 8.865 ( 0.491 3.268 4.219) 5.359 10.456 ( -7.574 4.704 -1.261) 9.004 10.986 ( -2.175 -10.432 -1.365) 10.744 11.876 ( -0.794 -3.326 -2.427) 4.193 12.923 ( -5.844 11.377 0.245) 12.793 14.843 ( 2.607 -3.286 0.318) 4.207 15.926 ( 0.820 -10.570 0.657) 10.622 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -6.035 7.123 -1.535) 9.461 3.715 ( 2.387 -2.705 -1.782) 4.024 4.059 ( -16.899 0.903 -11.387) 20.397 4.193 ( 10.720 17.243 -4.424) 20.780 5.549 ( -4.438 -0.913 -1.027) 4.646 5.760 ( -3.802 -4.458 1.736) 6.110 6.307 ( 0.869 -4.085 -1.833) 4.561 6.341 ( 2.976 -7.069 -1.850) 7.890 6.974 ( 4.784 -5.862 2.072) 7.845 8.206 ( -3.732 2.103 0.975) 4.393 8.555 ( 7.618 4.540 12.083) 14.988 8.907 ( -1.343 4.049 6.180) 7.509 10.420 ( -4.674 9.655 -0.479) 10.737 10.905 ( 5.027 -9.251 -2.106) 10.737 11.842 ( 0.918 -1.916 -3.293) 3.919 12.929 ( -7.121 12.082 0.157) 14.025 14.854 ( 3.131 -4.496 0.261) 5.485 15.863 ( 3.179 -8.950 -0.989) 9.550 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -9.969 4.137 -2.512) 11.082 3.549 ( -16.002 -5.674 -9.588) 19.498 3.852 ( -6.538 4.311 0.527) 7.849 4.496 ( 8.690 12.180 -8.037) 16.984 5.401 ( -6.974 -1.058 -6.190) 9.385 5.624 ( -6.878 -5.085 -1.416) 8.670 6.230 ( -3.436 -6.920 -0.430) 7.738 6.340 ( 5.304 -7.363 -0.081) 9.075 6.987 ( 3.597 -7.316 3.192) 8.755 8.200 ( -2.121 5.298 3.488) 6.688 8.755 ( 4.794 -1.384 3.230) 5.944 9.021 ( 5.851 10.685 17.290) 21.150 10.481 ( -0.313 11.274 0.231) 11.280 10.966 ( 11.191 -5.133 -2.194) 12.506 11.852 ( 3.661 -0.932 -4.227) 5.669 12.919 ( -7.328 10.917 0.022) 13.148 14.860 ( 1.968 -4.050 1.382) 4.710 15.856 ( 6.192 -6.993 -3.394) 9.938 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -13.514 2.091 -1.704) 13.781 3.122 ( -22.946 -5.409 -7.859) 24.850 3.799 ( -5.479 1.883 1.993) 6.127 4.607 ( -3.872 4.098 -10.866) 12.242 5.300 ( -5.100 -0.442 -0.954) 5.207 5.459 ( -4.177 -1.505 -2.753) 5.224 6.079 ( -4.208 -6.910 0.695) 8.120 6.369 ( 6.039 -6.290 -0.542) 8.736 6.984 ( 3.809 -8.774 5.265) 10.918 8.247 ( -0.982 6.684 2.579) 7.231 8.732 ( -3.496 -2.237 0.202) 4.155 9.364 ( 12.227 10.143 15.875) 22.459 10.628 ( 5.305 9.865 0.544) 11.214 11.160 ( 14.876 0.140 -1.018) 14.911 11.928 ( 7.781 0.141 -4.509) 8.994 12.899 ( -6.106 8.590 -0.167) 10.540 14.843 ( -1.090 -2.879 3.152) 4.406 15.912 ( 8.936 -4.808 -5.844) 11.710 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -17.565 0.838 0.241) 17.586 2.628 ( -25.698 -6.881 -4.172) 26.928 3.697 ( -8.000 -0.912 0.927) 8.105 4.323 ( -24.196 -4.688 -8.098) 25.942 5.098 ( -14.372 -6.705 -4.221) 16.411 5.486 ( 3.016 1.515 6.745) 7.542 6.088 ( 9.777 4.595 -1.399) 10.893 6.414 ( 5.709 -4.359 -0.962) 7.247 6.989 ( 5.358 -10.103 8.480) 14.237 8.296 ( -1.078 5.351 -0.861) 5.526 8.633 ( -5.665 -0.647 -0.600) 5.734 9.677 ( 9.098 6.556 8.646) 14.160 10.851 ( 10.001 8.093 0.832) 12.892 11.451 ( 17.415 3.088 0.678) 17.700 12.093 ( 12.385 1.597 -3.882) 13.077 12.884 ( -3.788 5.949 -0.411) 7.064 14.782 ( -5.086 -2.054 4.990) 7.415 16.017 ( 10.091 -2.461 -7.603) 12.872 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -27.556 -8.542 0.196) 28.850 2.200 ( -22.392 -0.073 2.593) 22.542 3.479 ( -16.868 -9.171 -1.170) 19.235 3.749 ( -31.251 -0.656 -3.627) 31.468 4.664 ( -23.823 -10.889 -2.492) 26.312 5.576 ( 3.576 0.596 4.546) 5.815 6.401 ( 11.427 2.264 0.678) 11.669 6.503 ( 10.619 7.509 -3.801) 13.550 7.057 ( 12.015 -10.423 14.501) 21.525 8.289 ( -2.075 -0.079 -4.200) 4.685 8.550 ( -5.068 4.283 -2.090) 6.957 9.842 ( 2.899 2.456 2.088) 4.335 11.114 ( 11.900 6.129 1.162) 13.436 11.805 ( 19.940 3.387 1.170) 20.259 12.341 ( 15.268 2.636 -3.080) 15.797 12.887 ( -1.174 3.575 -0.662) 3.820 14.663 ( -8.893 -2.145 6.638) 11.302 16.142 ( 8.959 0.011 -8.388) 12.273 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -28.430 -8.886 5.618) 30.312 1.782 ( -27.638 -1.423 4.444) 28.029 2.801 ( -44.323 -9.000 0.966) 45.238 3.424 ( -13.580 2.435 -1.713) 13.903 4.112 ( -27.778 -8.957 -1.317) 29.216 5.642 ( 3.003 -0.034 -0.101) 3.005 6.468 ( 2.364 -1.862 0.511) 3.052 6.752 ( 5.293 5.797 -7.056) 10.555 7.382 ( 29.009 -8.522 16.955) 34.664 8.222 ( -1.831 -1.301 -2.539) 3.390 8.533 ( -3.439 8.495 -2.019) 9.385 9.845 ( -3.538 -0.060 -1.309) 3.773 11.362 ( 11.228 2.766 1.162) 11.622 12.187 ( 21.032 2.523 -0.787) 21.198 12.615 ( 14.940 1.819 -3.403) 15.431 12.909 ( 0.917 1.835 -0.737) 2.180 14.483 ( -11.949 -3.336 7.346) 14.418 16.256 ( 5.958 2.901 -8.406) 10.704 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 0.000 22.651 17.532) 28.643 1.564 ( 0.000 24.474 14.141) 28.265 2.319 ( 0.000 44.098 15.146) 46.626 3.198 ( -0.000 8.443 -4.582) 9.606 3.739 ( 0.000 28.380 -2.958) 28.533 5.607 ( -0.000 1.102 -7.506) 7.587 6.508 ( 0.000 -0.010 0.622) 0.622 6.626 ( -0.000 0.373 -8.525) 8.533 8.070 ( -0.000 -6.235 -12.516) 13.983 8.266 ( -0.000 4.709 -1.711) 5.010 8.522 ( 0.000 -35.810 35.010) 50.080 9.732 ( -0.000 5.863 -2.271) 6.287 11.529 ( -0.000 -10.655 1.552) 10.767 12.341 ( -0.000 -13.065 -9.767) 16.312 12.728 ( -0.000 -13.061 -4.436) 13.793 12.899 ( -0.000 -2.455 -1.034) 2.664 14.491 ( 0.000 22.440 9.164) 24.239 16.043 ( -0.000 -4.156 -15.060) 15.623 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 3.595 21.218 14.644) 26.031 1.928 ( 7.846 23.862 9.630) 26.902 2.935 ( 16.731 33.847 9.493) 38.931 3.359 ( 9.579 11.405 -4.527) 15.567 4.058 ( 6.332 27.289 -2.353) 28.112 5.589 ( -1.780 3.166 -5.880) 6.911 6.476 ( -3.047 -1.324 0.203) 3.328 6.602 ( 1.596 -3.271 -6.233) 7.218 7.568 ( -31.820 -9.826 1.486) 33.335 8.267 ( 2.980 -3.174 4.042) 5.941 8.600 ( 12.297 -12.668 9.521) 20.059 9.781 ( 0.380 2.448 -4.447) 5.090 11.382 ( -4.286 -11.242 0.724) 12.053 12.127 ( -6.457 -14.012 -5.049) 16.234 12.496 ( -7.062 -15.005 -6.255) 17.724 12.894 ( 1.734 -1.672 -0.690) 2.506 14.710 ( -1.368 16.152 13.153) 20.875 16.019 ( 7.534 -7.253 -13.302) 16.920 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 12.264 19.579 8.944) 24.774 2.329 ( 8.706 22.913 7.496) 25.632 3.407 ( 9.561 12.184 -0.521) 15.496 3.782 ( 21.616 20.806 -2.836) 30.136 4.461 ( 12.322 22.660 0.828) 25.807 5.570 ( -3.504 5.260 -3.304) 7.131 6.390 ( -4.172 -3.105 0.922) 5.282 6.565 ( 2.185 -8.335 -3.214) 9.196 7.026 ( -24.262 -2.977 7.238) 25.493 8.320 ( 5.005 -3.447 2.397) 6.533 8.666 ( 4.141 -5.009 3.088) 7.195 9.707 ( -7.326 -2.318 -9.232) 12.011 11.182 ( -7.764 -9.353 0.397) 12.162 11.834 ( -10.281 -13.010 -0.651) 16.594 12.214 ( -5.123 -14.820 -7.518) 17.390 12.916 ( 1.650 0.953 -0.528) 1.977 14.844 ( -3.646 11.241 11.899) 16.770 16.017 ( 6.878 -11.795 -8.297) 15.977 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 14.945 15.284 4.883) 21.927 2.723 ( 8.530 24.010 5.448) 26.056 3.610 ( 5.353 7.486 -3.494) 9.845 4.291 ( 19.122 12.817 -11.230) 25.613 4.910 ( 15.111 17.575 7.550) 24.377 5.547 ( -4.770 5.853 -1.072) 7.626 6.315 ( -2.038 -1.720 5.612) 6.213 6.475 ( -0.751 -12.166 4.253) 12.909 6.767 ( -8.521 0.493 5.107) 9.947 8.357 ( 1.401 -2.228 0.420) 2.665 8.697 ( 3.092 -1.312 1.219) 3.573 9.427 ( -15.370 -5.864 -14.312) 21.805 10.941 ( -10.243 -7.945 0.114) 12.964 11.548 ( -11.316 -8.227 0.695) 14.008 12.001 ( -1.109 -12.969 -5.590) 14.166 12.967 ( 1.200 5.004 -0.487) 5.169 14.890 ( -5.228 6.547 8.381) 11.850 15.958 ( 4.592 -15.551 -3.751) 16.643 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 9.507 12.556 5.361) 16.637 3.125 ( 10.405 21.908 -1.004) 24.275 3.738 ( 3.975 6.555 -3.310) 8.350 4.570 ( 7.396 7.850 -17.623) 20.661 5.320 ( 10.498 10.660 11.285) 18.740 5.548 ( 0.765 5.061 3.417) 6.154 6.301 ( 0.284 -7.430 4.538) 8.711 6.398 ( -0.467 -3.046 11.556) 11.960 6.711 ( 1.504 -4.432 2.429) 5.273 8.327 ( -3.115 0.447 -1.035) 3.312 8.749 ( 3.356 -1.453 -2.202) 4.269 9.035 ( -16.393 -4.720 -11.788) 20.736 10.713 ( -7.917 -5.468 -0.449) 9.632 11.281 ( -13.087 -4.945 0.477) 13.998 11.882 ( 1.173 -9.078 -3.303) 9.732 13.051 ( -0.078 10.150 -0.382) 10.157 14.860 ( -5.007 1.219 4.664) 6.951 15.854 ( 3.619 -17.622 -0.915) 18.013 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 1.010 13.218 4.009) 13.850 3.444 ( 9.943 8.817 -6.348) 14.727 3.899 ( 6.042 12.806 -1.366) 14.226 4.584 ( -7.738 9.389 -17.543) 21.349 5.502 ( 3.150 3.199 7.445) 8.695 5.726 ( 7.880 1.555 10.717) 13.393 6.229 ( 1.645 -11.017 4.508) 12.017 6.380 ( -4.447 -1.093 -0.525) 4.610 6.743 ( 7.312 -7.700 5.871) 12.133 8.282 ( -2.929 2.624 0.057) 3.932 8.635 ( -8.061 -2.011 -12.839) 15.292 8.892 ( 0.629 0.907 6.117) 6.215 10.584 ( -3.211 -0.476 -0.947) 3.381 11.017 ( -12.472 -4.296 0.383) 13.196 11.823 ( 1.091 -5.399 -2.804) 6.181 13.150 ( -3.240 15.333 -0.096) 15.671 14.791 ( -2.168 -4.191 1.813) 5.055 15.743 ( 4.197 -17.877 0.130) 18.364 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( -6.410 9.949 -1.127) 11.888 3.613 ( 7.448 0.836 -3.023) 8.082 4.147 ( 4.449 14.372 -5.564) 16.040 4.432 ( -14.457 15.109 -11.789) 24.006 5.582 ( 1.035 -0.153 4.128) 4.259 5.785 ( -2.772 -5.235 5.109) 7.822 6.189 ( 3.154 -9.756 6.153) 11.957 6.254 ( -2.043 -5.058 -9.492) 10.948 6.810 ( 6.929 -9.169 6.295) 13.104 8.285 ( -1.568 3.662 2.379) 4.640 8.551 ( 0.797 4.645 -2.265) 5.229 8.953 ( 2.168 0.840 7.579) 7.927 10.593 ( 1.416 5.998 -0.802) 6.215 10.793 ( -8.589 -4.400 0.354) 9.657 11.786 ( 0.924 -3.542 -3.640) 5.162 13.223 ( -8.053 18.183 0.243) 19.888 14.737 ( 2.527 -7.368 0.397) 7.799 15.656 ( 5.848 -16.814 -0.331) 17.805 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( -9.464 5.068 -3.351) 11.246 3.681 ( -2.285 2.888 -2.091) 4.235 4.072 ( -14.805 5.477 -8.023) 17.708 4.526 ( 2.439 20.599 -7.457) 22.042 5.510 ( -8.197 -0.651 -3.929) 9.113 5.662 ( -3.979 -5.150 -0.370) 6.519 6.148 ( 2.352 -10.672 -1.657) 11.053 6.189 ( 2.417 -8.639 3.842) 9.759 6.835 ( 5.260 -10.530 5.364) 12.935 8.310 ( -2.058 6.577 2.461) 7.317 8.676 ( 5.813 3.132 1.524) 6.776 9.056 ( 5.332 3.436 11.339) 12.993 10.656 ( -3.288 -2.743 0.350) 4.296 10.738 ( 5.909 10.421 -0.003) 11.980 11.763 ( 2.214 -3.377 -4.902) 6.351 13.225 ( -11.790 16.401 0.332) 20.201 14.744 ( 5.700 -6.040 0.702) 8.334 15.616 ( 8.294 -14.862 -1.868) 17.122 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -11.479 2.043 -2.678) 11.963 3.497 ( -22.619 6.201 -5.723) 24.142 3.917 ( -5.692 1.287 -0.375) 5.848 4.693 ( -1.233 14.654 -10.876) 18.291 5.387 ( -4.834 2.256 -1.337) 5.499 5.523 ( -6.542 -3.089 -2.936) 7.808 6.041 ( -1.067 -11.639 0.294) 11.692 6.183 ( 5.651 -9.056 3.799) 11.330 6.827 ( 4.512 -11.180 5.339) 13.186 8.360 ( -1.876 8.370 1.961) 8.799 8.737 ( 0.390 -1.617 0.054) 1.664 9.299 ( 11.652 6.349 11.516) 17.570 10.638 ( 3.814 -1.910 0.356) 4.280 10.980 ( 7.988 13.372 1.206) 15.623 11.774 ( 5.887 -3.816 -5.717) 9.050 13.156 ( -11.969 11.324 0.131) 16.478 14.800 ( 4.259 -2.273 2.442) 5.410 15.641 ( 11.319 -11.622 -3.891) 16.683 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -14.296 -0.080 -1.276) 14.353 3.082 ( -29.307 4.667 -3.078) 29.836 3.826 ( -6.713 -0.437 0.212) 6.731 4.637 ( -14.967 6.743 -9.212) 18.824 5.254 ( -11.522 -3.226 -2.661) 12.258 5.485 ( 1.422 2.158 5.325) 5.919 5.973 ( 5.431 -2.266 -1.160) 5.998 6.226 ( 7.904 -7.565 1.496) 11.042 6.813 ( 4.622 -11.289 5.817) 13.515 8.405 ( -3.169 7.416 0.430) 8.077 8.690 ( -2.655 -2.273 -0.285) 3.506 9.588 ( 11.388 4.305 5.620) 13.409 10.750 ( 9.677 0.620 0.667) 9.719 11.255 ( 10.007 9.955 1.908) 14.244 11.868 ( 11.540 -2.479 -5.293) 12.936 13.058 ( -9.280 6.254 -0.139) 11.191 14.834 ( -0.534 -0.525 4.325) 4.390 15.749 ( 13.555 -6.318 -5.160) 15.820 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -22.396 -1.910 -0.934) 22.497 2.623 ( -26.897 2.576 1.912) 27.088 3.664 ( -11.417 -1.859 -0.476) 11.577 4.275 ( -28.938 3.157 -3.164) 29.281 4.942 ( -19.119 -4.569 -4.309) 20.124 5.539 ( 2.176 -1.665 6.877) 7.403 6.225 ( 15.685 8.363 0.460) 17.781 6.320 ( 11.827 -2.953 -1.976) 12.349 6.808 ( 5.898 -11.669 6.548) 14.623 8.376 ( -5.925 2.679 -1.262) 6.624 8.635 ( -2.366 1.007 -0.391) 2.601 9.780 ( 7.256 0.513 -0.566) 7.296 10.959 ( 12.307 1.945 0.644) 12.476 11.529 ( 14.680 2.957 1.645) 15.065 12.079 ( 15.567 0.655 -4.136) 16.120 12.974 ( -5.494 2.601 -0.337) 6.088 14.791 ( -5.432 -1.492 5.232) 7.688 15.930 ( 13.025 -0.180 -4.685) 13.844 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -29.931 0.172 2.809) 30.063 2.221 ( -24.469 -1.499 2.713) 24.664 3.380 ( -23.277 1.546 1.915) 23.407 3.786 ( -28.470 2.529 0.514) 28.586 4.518 ( -25.609 -0.137 -3.281) 25.819 5.581 ( 3.160 -1.921 0.898) 3.806 6.383 ( 6.012 -1.077 0.004) 6.107 6.681 ( 13.245 10.877 -7.814) 18.836 6.858 ( 16.620 -16.657 8.944) 25.173 8.292 ( -4.410 2.183 0.521) 4.948 8.622 ( -1.467 2.195 1.180) 2.892 9.845 ( 2.461 -1.765 -3.727) 4.802 11.177 ( 11.971 -0.874 0.132) 12.003 11.837 ( 19.913 -0.713 0.105) 19.926 12.348 ( 15.951 1.063 -4.191) 16.527 12.925 ( -1.760 0.350 -0.274) 1.815 14.659 ( -9.418 -3.123 5.278) 11.238 16.137 ( 10.008 4.529 -3.162) 11.431 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 0.000 18.692 13.398) 22.997 2.066 ( 0.000 18.562 9.314) 20.768 3.196 ( 0.000 37.154 3.739) 37.341 3.355 ( -0.000 10.461 -4.395) 11.346 4.271 ( 0.000 26.819 -2.128) 26.904 5.640 ( -0.000 7.201 -3.373) 7.952 6.495 ( -0.000 -1.363 -0.484) 1.447 6.511 ( -0.000 -9.212 -2.544) 9.557 7.724 ( -0.000 -19.861 -3.909) 20.242 8.266 ( 0.000 -9.644 14.238) 17.197 8.389 ( 0.000 8.182 0.643) 8.207 9.787 ( -0.000 1.868 -4.210) 4.606 11.279 ( -0.000 -15.092 -0.103) 15.092 12.034 ( -0.000 -13.278 -3.520) 13.737 12.382 ( -0.000 -18.037 -6.565) 19.195 12.851 ( -0.000 -1.925 -0.111) 1.928 14.920 ( 0.000 11.919 17.340) 21.042 15.846 ( -0.000 -4.176 -16.303) 16.829 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 3.734 17.659 8.941) 20.143 2.381 ( 10.556 16.279 8.517) 21.189 3.443 ( 1.879 14.371 -2.866) 14.774 3.661 ( 13.712 21.844 -5.633) 26.399 4.560 ( 4.793 24.598 1.454) 25.103 5.700 ( -2.889 10.799 -0.468) 11.189 6.400 ( 1.211 -14.572 1.034) 14.658 6.446 ( -3.002 -3.167 -0.097) 4.365 7.366 ( -17.378 -11.178 2.871) 20.861 8.242 ( 1.698 -0.754 2.892) 3.437 8.553 ( 6.009 2.774 1.719) 6.838 9.753 ( -3.540 -1.544 -6.675) 7.712 11.129 ( -0.092 -14.361 -0.309) 14.364 11.848 ( -5.947 -12.816 0.721) 14.147 12.117 ( -5.379 -17.923 -8.599) 20.594 12.871 ( 3.536 -0.294 -0.160) 3.551 15.051 ( -2.446 7.326 16.544) 18.258 15.790 ( 3.490 -5.746 -13.374) 14.969 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 9.984 15.417 5.006) 19.037 2.776 ( 13.349 17.448 7.216) 23.123 3.595 ( 3.274 9.003 -4.646) 10.647 4.061 ( 16.910 12.266 -12.199) 24.191 4.920 ( 8.970 21.312 6.612) 24.050 5.735 ( -6.578 11.824 0.826) 13.556 6.275 ( 3.034 -20.069 4.632) 20.818 6.371 ( -2.396 -1.617 4.564) 5.402 7.033 ( -15.925 -1.716 6.317) 17.218 8.303 ( 3.818 1.840 -1.913) 4.650 8.635 ( 2.090 0.761 -0.150) 2.230 9.558 ( -11.723 -5.491 -11.904) 17.586 10.978 ( -4.091 -11.350 0.562) 12.078 11.630 ( -6.357 -8.870 3.626) 11.500 11.850 ( -2.192 -16.272 -8.582) 18.526 12.956 ( 4.633 3.450 -0.633) 5.811 15.092 ( -5.435 4.379 12.796) 14.576 15.724 ( 2.485 -11.091 -8.325) 14.089 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 11.893 11.361 3.502) 16.816 3.205 ( 11.196 21.413 3.484) 24.413 3.692 ( 3.967 3.604 -6.100) 8.120 4.392 ( 15.580 8.230 -14.054) 22.539 5.293 ( 10.040 14.561 9.127) 19.903 5.710 ( -8.928 9.960 1.453) 13.454 6.152 ( 4.157 -20.824 6.986) 22.354 6.390 ( 1.924 0.335 10.778) 10.954 6.819 ( -11.911 0.501 5.826) 13.269 8.368 ( 0.867 4.291 -4.194) 6.062 8.658 ( 2.039 -2.159 -2.349) 3.786 9.208 ( -15.384 -6.192 -13.850) 21.606 10.772 ( -7.486 -8.891 1.588) 11.731 11.461 ( -10.269 -2.380 -0.259) 10.544 11.705 ( 5.461 -13.163 -2.856) 14.534 13.092 ( 5.100 8.279 -0.964) 9.772 15.037 ( -9.047 2.033 8.481) 12.566 15.603 ( 2.434 -17.068 -4.143) 17.731 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 11.327 8.235 3.729) 14.492 3.483 ( -1.311 13.671 -6.077) 15.018 3.858 ( 12.265 10.050 -1.854) 15.965 4.640 ( 7.673 10.849 -13.979) 19.287 5.555 ( 2.555 5.657 8.811) 10.778 5.679 ( -1.638 4.667 4.876) 6.946 6.066 ( 4.958 -16.874 7.010) 18.933 6.464 ( -0.581 0.145 8.551) 8.572 6.661 ( -6.276 -3.497 5.197) 8.867 8.380 ( -3.717 6.042 -3.406) 7.869 8.620 ( -0.258 -5.220 -10.866) 12.058 8.934 ( -5.786 -1.854 -3.105) 6.823 10.607 ( -4.251 -4.855 2.615) 6.963 11.231 ( -12.725 -1.837 -2.724) 13.142 11.712 ( 4.971 -5.679 -0.447) 7.560 13.281 ( 4.580 13.822 -0.896) 14.589 14.888 ( -10.968 -1.505 4.433) 11.926 15.463 ( 4.592 -21.087 -1.354) 21.624 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( 1.181 7.597 3.040) 8.267 3.489 ( 3.275 2.277 -7.711) 8.682 4.196 ( 8.655 18.338 -3.683) 20.610 4.745 ( -5.902 16.634 -12.554) 21.659 5.577 ( -1.066 -1.016 7.149) 7.299 5.745 ( 2.665 -5.407 6.551) 8.903 6.045 ( 5.640 -11.184 6.475) 14.100 6.320 ( -13.085 -2.010 -5.285) 14.254 6.638 ( 4.826 -8.315 9.034) 13.192 8.362 ( -2.575 4.624 0.212) 5.297 8.560 ( 1.038 2.270 -8.964) 9.305 8.912 ( 2.837 -2.235 3.017) 4.706 10.550 ( -0.087 -2.722 3.651) 4.555 11.014 ( -10.841 2.602 -2.775) 11.489 11.726 ( 1.359 -2.334 -1.531) 3.105 13.490 ( 0.023 19.301 -0.320) 19.303 14.695 ( -7.133 -6.369 1.525) 9.684 15.348 ( 7.248 -22.013 -0.303) 23.177 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( -7.905 2.241 -4.434) 9.337 3.659 ( 7.790 4.043 0.915) 8.824 4.363 ( -9.348 14.261 -9.326) 19.435 4.758 ( -6.520 21.862 -7.367) 23.973 5.573 ( -0.232 -3.741 4.634) 5.960 5.678 ( -4.040 -5.892 -0.287) 7.150 6.050 ( 4.170 -10.555 1.263) 11.419 6.075 ( -6.746 -6.273 0.800) 9.246 6.659 ( 5.061 -10.243 6.656) 13.222 8.399 ( -0.149 6.109 1.305) 6.249 8.630 ( 4.090 4.268 -1.726) 6.158 8.979 ( 6.831 -2.158 3.813) 8.115 10.526 ( 0.725 -7.167 2.664) 7.680 10.958 ( -3.462 13.684 -0.346) 14.120 11.698 ( -0.693 -2.772 -3.361) 4.412 13.603 ( -10.628 19.415 0.357) 22.137 14.591 ( 3.552 -6.505 0.325) 7.419 15.281 ( 9.847 -20.631 -0.706) 22.872 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( -9.412 1.040 -2.692) 9.845 3.790 ( 0.713 5.878 0.841) 5.980 4.131 ( -22.246 6.005 -7.679) 24.288 4.879 ( -3.776 20.521 -9.039) 22.739 5.491 ( -5.338 -0.543 1.029) 5.464 5.576 ( -3.461 -2.226 -2.006) 4.578 5.921 ( -0.363 -10.813 -2.261) 11.053 6.045 ( 3.240 -9.333 9.559) 13.747 6.661 ( 4.685 -10.082 5.067) 12.218 8.468 ( -0.534 8.064 0.467) 8.095 8.701 ( 1.883 -1.360 0.010) 2.323 9.154 ( 12.600 0.999 3.645) 13.155 10.486 ( 3.852 -7.557 0.930) 8.533 11.125 ( 1.509 19.551 3.046) 19.845 11.636 ( 0.946 -6.337 -5.166) 8.230 13.509 ( -16.517 10.761 0.170) 19.714 14.685 ( 8.464 0.680 1.494) 8.622 15.285 ( 13.090 -16.419 -1.960) 21.090 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( -11.717 0.819 -0.573) 11.759 3.645 ( -29.613 8.158 -2.002) 30.782 3.887 ( -2.057 -2.384 -2.001) 3.730 4.908 ( -9.564 13.412 -10.020) 19.281 5.395 ( -8.184 -3.661 2.098) 9.207 5.521 ( -1.002 2.598 3.116) 4.179 5.845 ( 3.872 -5.006 -1.994) 6.636 6.063 ( 4.630 -6.262 7.450) 10.777 6.662 ( 4.164 -7.823 3.878) 9.673 8.525 ( -2.329 6.968 -0.226) 7.350 8.680 ( -0.135 -3.896 -0.389) 3.917 9.400 ( 13.923 -0.118 -0.887) 13.952 10.548 ( 9.884 -3.661 0.881) 10.577 11.334 ( -1.096 14.627 4.246) 15.271 11.623 ( 9.970 -6.473 -5.596) 13.138 13.309 ( -14.382 3.842 -0.259) 14.889 14.820 ( 3.854 0.959 3.063) 5.016 15.414 ( 16.597 -6.446 -2.546) 17.986 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -15.477 1.197 0.827) 15.546 3.151 ( -31.446 0.854 0.280) 31.459 3.806 ( -6.573 -0.117 -1.442) 6.730 4.728 ( -19.862 5.655 -4.024) 21.040 5.182 ( -13.246 -0.276 -3.904) 13.812 5.524 ( -0.572 -3.998 8.424) 9.342 6.022 ( 14.853 6.309 1.107) 16.175 6.132 ( 6.651 -2.704 4.076) 8.256 6.678 ( 3.336 -3.875 2.277) 5.597 8.486 ( -5.318 -0.682 -2.086) 5.753 8.661 ( -0.404 0.944 0.532) 1.156 9.587 ( 11.857 -4.077 -6.700) 14.216 10.738 ( 13.434 -0.410 0.557) 13.452 11.399 ( 3.850 -1.803 1.814) 4.622 11.824 ( 14.249 3.377 -2.412) 14.841 13.117 ( -10.006 0.057 -0.434) 10.016 14.843 ( -1.116 -2.429 3.035) 4.044 15.681 ( 16.351 3.186 -0.984) 16.688 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -22.220 3.786 1.546) 22.593 2.634 ( -28.077 -2.695 2.815) 28.346 3.657 ( -10.536 1.339 -1.193) 10.688 4.349 ( -28.986 4.039 3.449) 29.469 4.920 ( -19.091 5.863 -5.581) 20.736 5.513 ( 1.842 -3.926 3.120) 5.343 6.229 ( 9.718 -3.979 1.849) 10.663 6.391 ( 16.246 2.543 4.171) 16.964 6.723 ( 2.665 3.070 -1.225) 4.246 8.373 ( -3.936 -1.514 -1.215) 4.388 8.659 ( -1.659 0.578 1.918) 2.601 9.683 ( 9.254 -6.542 -9.567) 14.832 10.947 ( 12.154 -3.197 -0.539) 12.579 11.525 ( 14.435 -3.914 0.985) 14.988 12.093 ( 14.190 2.702 -2.545) 14.667 12.975 ( -5.292 -2.224 -0.212) 5.744 14.768 ( -5.357 -3.140 2.907) 6.856 15.988 ( 13.358 6.673 0.810) 14.954 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 0.000 14.304 9.689) 17.277 2.421 ( 0.000 12.856 5.667) 14.049 3.532 ( -0.000 10.001 -3.708) 10.666 3.738 ( -0.000 19.178 -10.330) 21.783 4.773 ( 0.000 24.890 3.984) 25.207 5.852 ( 0.000 12.505 3.500) 12.986 6.218 ( -0.000 -19.429 3.028) 19.663 6.452 ( -0.000 -2.284 -1.158) 2.560 7.367 ( -0.000 -13.446 -2.822) 13.739 8.257 ( 0.000 1.631 3.837) 4.169 8.582 ( 0.000 9.771 2.735) 10.146 9.748 ( -0.000 -2.348 -5.528) 6.006 10.957 ( -0.000 -16.634 -1.615) 16.712 11.783 ( -0.000 -12.111 2.830) 12.437 11.958 ( -0.000 -18.711 -9.930) 21.182 12.823 ( 0.000 -1.196 0.577) 1.328 15.155 ( 0.000 -0.302 14.479) 14.482 15.711 ( -0.000 1.576 -11.113) 11.224 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 4.179 13.384 4.999) 14.885 2.692 ( 12.882 10.401 7.136) 18.029 3.634 ( 1.658 9.042 -4.264) 10.134 3.903 ( 8.398 9.145 -13.698) 18.487 5.060 ( 3.337 23.259 6.401) 24.354 5.918 ( 0.019 -7.106 10.968) 13.068 6.079 ( -2.594 -2.971 -0.928) 4.052 6.409 ( -1.590 -1.154 0.870) 2.149 7.195 ( -6.137 -7.067 -0.647) 9.382 8.294 ( 0.223 4.819 0.422) 4.843 8.672 ( -1.330 7.031 1.578) 7.327 9.633 ( -7.382 -5.123 -8.602) 12.439 10.842 ( 4.527 -13.794 -1.032) 14.555 11.619 ( -5.006 -15.731 6.243) 17.649 11.726 ( -3.023 -11.838 -10.975) 16.423 12.877 ( 6.355 0.791 0.211) 6.407 15.167 ( 0.149 -5.053 8.950) 10.279 15.677 ( -4.077 1.778 -5.077) 6.750 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 8.206 10.797 3.280) 13.953 3.105 ( 20.096 11.630 5.628) 23.891 3.689 ( -1.177 4.891 -7.656) 9.161 4.141 ( 16.108 5.725 -10.791) 20.216 5.354 ( 4.479 17.338 6.604) 19.086 5.835 ( 5.884 -23.422 12.310) 27.107 6.019 ( -10.106 10.397 -1.041) 14.537 6.416 ( 0.426 2.020 5.835) 6.189 7.027 ( -9.035 -1.946 2.354) 9.537 8.362 ( 1.996 5.373 -2.332) 6.188 8.679 ( -3.918 3.453 -0.967) 5.311 9.344 ( -13.913 -7.173 -12.658) 20.131 10.775 ( -0.972 -8.973 0.508) 9.040 11.453 ( 4.385 -16.579 -1.071) 17.183 11.553 ( -5.040 -4.230 -1.229) 6.694 13.040 ( 8.939 5.394 -0.471) 10.451 15.123 ( -0.408 -8.647 5.711) 10.371 15.550 ( -9.659 -1.660 -1.806) 9.966 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 10.146 7.513 2.557) 12.881 3.589 ( 10.868 15.187 1.097) 18.707 3.674 ( 7.977 0.503 -6.445) 10.267 4.462 ( 17.485 6.749 -8.168) 20.445 5.563 ( 3.594 5.010 5.949) 8.568 5.789 ( 8.332 -17.248 10.155) 21.680 5.925 ( -12.261 9.017 1.103) 15.260 6.475 ( 1.125 0.900 8.008) 8.136 6.854 ( -11.866 -0.246 3.627) 12.410 8.442 ( 2.554 5.061 -4.010) 6.944 8.595 ( -6.745 -0.429 -5.781) 8.894 9.018 ( -10.372 -4.893 -9.061) 14.616 10.657 ( -4.544 -3.795 3.363) 6.809 11.301 ( -3.725 -11.595 -8.376) 14.781 11.568 ( 6.689 -1.777 5.347) 8.746 13.277 ( 9.765 11.100 -0.891) 14.811 15.024 ( -2.149 -10.553 4.269) 11.585 15.314 ( -11.913 -7.263 -1.043) 13.992 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( 10.886 4.821 1.666) 12.022 3.559 ( -5.321 1.746 -6.181) 8.340 4.125 ( 19.163 14.908 -0.200) 24.280 4.781 ( 12.791 10.044 -7.539) 17.925 5.615 ( 1.873 -5.538 5.511) 8.034 5.778 ( -9.685 1.240 3.743) 10.457 5.842 ( 5.146 -7.331 6.152) 10.866 6.492 ( -3.261 -1.247 2.561) 4.330 6.637 ( -12.301 -2.637 4.785) 13.460 8.446 ( -3.847 -1.493 -7.309) 8.394 8.523 ( 1.568 6.694 -2.906) 7.464 8.870 ( -1.478 -3.310 -2.366) 4.328 10.597 ( -3.420 0.949 6.518) 7.421 11.099 ( -4.361 -7.590 -8.096) 11.924 11.680 ( 4.294 0.606 2.611) 5.062 13.578 ( 9.594 16.911 -0.860) 19.461 14.858 ( -11.068 -5.470 3.226) 12.760 15.042 ( -2.174 -19.009 -1.194) 19.170 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.455 ( -6.005 1.241 -4.399) 7.547 3.537 ( 10.065 2.812 1.276) 10.529 4.517 ( 7.995 15.673 -3.497) 17.939 5.007 ( 1.249 15.881 -8.064) 17.854 5.560 ( -4.314 -3.876 5.431) 7.945 5.661 ( -1.905 -5.618 3.618) 6.948 5.858 ( 5.301 -11.757 3.096) 13.263 6.264 ( -17.049 -0.577 -2.521) 17.244 6.540 ( 0.917 -6.873 6.160) 9.275 8.430 ( 2.251 3.221 -2.495) 4.655 8.612 ( 2.194 4.921 0.471) 5.408 8.849 ( 4.105 -3.835 -2.058) 5.983 10.548 ( -5.933 -1.747 6.073) 8.668 11.021 ( 3.177 1.470 -5.546) 6.559 11.718 ( -1.717 1.118 0.452) 2.098 13.892 ( 2.827 21.609 -0.203) 21.794 14.585 ( -11.723 -5.071 0.670) 12.790 14.897 ( 8.756 -23.249 -0.124) 24.843 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( -7.762 1.533 -1.086) 7.986 3.718 ( 8.579 1.101 -0.832) 8.690 4.565 ( -16.912 10.172 -5.426) 20.467 5.118 ( -3.344 18.932 -7.029) 20.470 5.502 ( 0.330 -7.921 6.682) 10.368 5.589 ( -1.569 -3.087 0.227) 3.470 5.815 ( 2.183 -8.856 -6.522) 11.213 6.034 ( -7.791 -2.063 10.017) 12.857 6.523 ( 3.083 -6.660 3.324) 8.057 8.524 ( 2.930 6.293 -1.161) 7.038 8.655 ( 0.789 -2.638 0.806) 2.869 8.948 ( 10.702 -0.484 -1.682) 10.845 10.435 ( -3.761 -4.025 2.680) 6.126 11.171 ( 9.038 6.907 -1.586) 11.485 11.647 ( -6.582 -0.645 -0.419) 6.627 13.913 ( -18.947 9.356 0.110) 21.131 14.565 ( 8.830 5.573 0.543) 10.456 14.875 ( 13.907 -18.627 -0.527) 23.252 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( -9.675 1.848 1.402) 9.949 3.828 ( 4.648 -1.638 -3.171) 5.860 4.206 ( -28.642 4.241 -1.845) 29.013 5.157 ( -8.858 11.275 -8.167) 16.501 5.430 ( -0.473 -9.199 7.433) 11.836 5.564 ( -0.979 -0.109 0.343) 1.043 5.770 ( 1.791 2.397 -6.639) 7.282 6.013 ( 0.158 -1.396 14.457) 14.525 6.543 ( 4.360 -3.295 1.070) 5.568 8.601 ( -1.652 -2.553 -1.231) 3.280 8.630 ( 2.522 2.527 -0.148) 3.573 9.136 ( 13.001 -2.591 -5.278) 14.269 10.413 ( 3.680 -0.522 1.922) 4.184 11.372 ( 9.572 -6.291 -4.315) 12.240 11.530 ( -5.919 7.281 3.533) 10.027 13.612 ( -18.949 -0.087 -0.403) 18.954 14.742 ( 6.335 -1.788 1.308) 6.711 15.073 ( 18.935 2.142 -0.260) 19.058 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( -12.208 1.786 2.919) 12.678 3.641 ( -24.954 -5.817 -2.661) 25.760 3.899 ( -6.970 3.441 -0.567) 7.794 5.003 ( -10.885 -1.455 -3.552) 11.542 5.342 ( -6.226 -0.387 0.441) 6.254 5.533 ( -2.408 -2.318 3.833) 5.086 5.922 ( 8.476 10.778 1.963) 13.852 6.068 ( 1.504 0.583 10.820) 10.939 6.612 ( 4.189 2.211 -0.937) 4.829 8.500 ( -2.410 -7.607 -2.909) 8.493 8.698 ( -0.142 4.675 1.483) 4.907 9.276 ( 12.986 -7.686 -12.047) 19.309 10.554 ( 9.441 3.141 1.113) 10.012 11.279 ( 1.934 -15.198 -1.438) 15.388 11.700 ( 7.540 9.691 2.006) 12.441 13.306 ( -14.314 -3.812 -0.509) 14.821 14.797 ( 3.689 -3.791 0.827) 5.354 15.457 ( 17.193 10.176 1.528) 20.037 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -15.340 0.591 3.401) 15.723 3.127 ( -29.004 -0.900 0.964) 29.034 3.798 ( -6.947 -0.421 -2.380) 7.356 4.768 ( -14.949 -0.414 1.129) 14.997 5.215 ( -11.105 5.358 -3.423) 12.796 5.479 ( -1.583 -3.179 3.426) 4.934 6.111 ( 1.902 0.147 11.904) 12.056 6.239 ( 11.248 7.798 2.780) 13.966 6.720 ( 3.501 7.862 -2.827) 9.059 8.372 ( -2.011 -7.017 -2.557) 7.734 8.718 ( -2.456 2.234 2.439) 4.119 9.356 ( 13.189 -10.886 -15.730) 23.236 10.731 ( 9.024 -1.900 -1.083) 9.285 11.257 ( 10.954 -8.753 1.350) 14.086 11.921 ( 9.664 4.542 -0.023) 10.679 13.057 ( -9.053 -5.977 -0.221) 10.851 14.800 ( -0.617 -1.714 0.898) 2.031 15.834 ( 14.478 9.388 2.806) 17.482 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 0.000 8.229 3.476) 8.933 2.691 ( 0.000 10.144 7.624) 12.689 3.685 ( -0.000 7.832 -2.994) 8.385 3.853 ( -0.000 4.079 -14.768) 15.321 5.281 ( 0.000 21.831 5.998) 22.640 5.718 ( 0.000 -27.617 13.555) 30.764 6.243 ( 0.000 16.967 -1.099) 17.003 6.400 ( -0.000 -2.051 -0.853) 2.221 7.154 ( -0.000 -6.491 -3.708) 7.475 8.358 ( 0.000 6.607 0.333) 6.615 8.782 ( 0.000 8.063 2.914) 8.574 9.632 ( -0.000 -4.839 -6.785) 8.334 10.635 ( -0.000 -14.412 -1.885) 14.535 11.505 ( -0.000 -18.873 -1.558) 18.937 11.642 ( -0.000 -6.472 -2.570) 6.963 12.810 ( 0.000 -0.592 0.666) 0.891 15.119 ( 0.000 -6.798 2.493) 7.241 15.755 ( 0.000 4.468 0.976) 4.573 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 5.184 9.196 2.373) 10.820 2.896 ( 13.533 5.823 6.979) 16.302 3.737 ( -1.314 4.543 -6.164) 7.770 3.917 ( 10.497 2.851 -9.308) 14.317 5.467 ( 2.045 -3.170 6.441) 7.465 5.567 ( 3.276 -6.224 11.646) 13.605 6.284 ( -7.860 8.170 -0.997) 11.380 6.444 ( 1.737 5.924 1.470) 6.346 7.079 ( -1.684 -3.613 -2.457) 4.682 8.417 ( -0.844 7.071 -0.411) 7.133 8.812 ( -5.177 5.639 1.386) 7.780 9.454 ( -10.976 -6.241 -9.346) 15.709 10.599 ( 9.196 -9.830 -1.122) 13.507 11.280 ( -3.229 -16.170 -2.840) 16.733 11.566 ( -2.161 -4.573 1.118) 5.180 12.901 ( 9.887 1.336 0.269) 9.981 15.047 ( -1.015 -7.875 0.275) 7.945 15.734 ( -7.773 2.776 2.853) 8.733 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 6.907 6.436 2.774) 9.840 3.305 ( 24.301 5.550 3.715) 25.202 3.704 ( -2.900 2.486 -6.160) 7.248 4.178 ( 18.016 3.735 -4.851) 19.028 5.406 ( 7.383 -20.662 10.119) 24.162 5.705 ( 1.329 9.377 4.820) 10.627 6.208 ( -9.532 6.904 -0.036) 11.770 6.511 ( -0.754 3.820 3.132) 4.997 6.998 ( -4.948 -1.329 -0.411) 5.140 8.465 ( -0.907 5.529 -0.805) 5.660 8.736 ( -8.437 3.303 -2.577) 9.420 9.136 ( -13.479 -5.599 -9.087) 17.193 10.657 ( 3.540 -3.053 0.475) 4.699 11.119 ( 2.904 -14.155 -4.493) 15.133 11.515 ( 0.367 -2.033 3.694) 4.232 13.150 ( 14.757 5.665 -0.210) 15.808 14.925 ( -2.699 -10.599 -0.165) 10.938 15.565 ( -15.110 0.686 2.689) 15.362 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( 8.945 3.584 1.880) 9.817 3.613 ( -0.734 0.284 -5.137) 5.197 3.855 ( 23.840 8.095 3.729) 25.452 4.535 ( 20.206 4.349 -3.007) 20.886 5.412 ( 9.899 -14.646 8.104) 19.446 5.786 ( -0.740 3.235 2.334) 4.057 6.076 ( -13.653 5.167 -0.029) 14.598 6.515 ( -1.668 -0.574 2.119) 2.757 6.861 ( -11.015 -0.437 0.682) 11.045 8.449 ( -3.945 -0.592 -3.692) 5.436 8.635 ( -4.689 7.287 -4.006) 9.546 8.894 ( -7.165 -3.799 -2.607) 8.519 10.684 ( -0.594 3.670 4.910) 6.159 11.001 ( -0.028 -12.273 -7.913) 14.603 11.588 ( 7.159 -0.393 3.532) 7.992 13.495 ( 16.423 10.624 -0.487) 19.566 14.758 ( -2.453 -13.683 -0.020) 13.902 15.265 ( -20.546 -1.153 1.708) 20.649 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 9.999 1.291 0.182) 10.084 3.556 ( -4.551 1.600 -1.329) 5.004 4.353 ( 22.824 6.445 2.235) 23.822 4.903 ( 17.911 5.381 -1.998) 18.809 5.501 ( 9.904 -6.533 4.796) 12.797 5.750 ( -4.994 -2.157 -0.820) 5.501 5.843 ( -15.963 -0.552 1.348) 16.029 6.457 ( -4.162 -1.576 -3.524) 5.676 6.619 ( -15.155 -1.794 2.329) 15.437 8.396 ( 1.041 1.097 -2.388) 2.827 8.675 ( -1.360 7.661 1.623) 7.948 8.773 ( -1.143 -4.579 -2.456) 5.320 10.689 ( -7.646 -0.080 5.292) 9.299 10.907 ( 5.292 -2.133 -5.984) 8.268 11.709 ( 4.824 -0.040 1.131) 4.955 13.899 ( 16.775 14.000 -0.471) 21.855 14.597 ( 0.736 -14.987 0.179) 15.006 14.877 ( -22.928 -2.178 0.627) 23.040 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( -5.674 2.383 0.873) 6.216 3.557 ( 9.348 -0.678 -0.989) 9.425 4.702 ( 9.636 2.376 1.361) 10.018 5.207 ( 10.841 6.954 -1.879) 13.016 5.520 ( -14.113 -4.718 2.721) 15.128 5.621 ( -2.941 2.168 -2.410) 4.377 5.646 ( 4.835 -7.908 -0.238) 9.272 6.268 ( -14.380 2.465 -1.137) 14.634 6.461 ( -1.394 -3.976 1.845) 4.600 8.478 ( 5.279 2.515 -0.035) 5.848 8.648 ( -2.340 -2.986 0.037) 3.794 8.820 ( 5.176 3.201 -0.148) 6.088 10.516 ( -7.968 -3.855 0.025) 8.852 11.049 ( 8.076 3.701 -0.021) 8.884 11.731 ( -1.953 -0.689 0.015) 2.070 14.227 ( 0.195 0.130 -0.000) 0.235 14.525 ( 3.701 2.221 0.089) 4.317 14.551 ( -4.380 -2.549 -0.088) 5.069 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( -8.021 2.196 3.549) 9.042 3.686 ( 7.881 -2.317 -3.822) 9.061 4.630 ( -17.155 -2.608 0.598) 17.363 5.267 ( -4.242 -18.224 5.120) 19.399 5.390 ( 0.585 9.937 -3.009) 10.399 5.552 ( 1.201 0.677 -1.495) 2.033 5.747 ( 3.586 6.416 -6.497) 9.810 6.140 ( -6.600 4.504 12.923) 15.194 6.458 ( 3.625 0.104 -3.079) 4.757 8.516 ( 1.099 -7.540 -1.940) 7.863 8.654 ( 2.435 5.135 0.638) 5.718 8.930 ( 6.317 -1.268 -2.909) 7.069 10.411 ( -1.626 1.069 0.431) 1.993 11.168 ( 5.068 -5.927 -1.606) 7.962 11.673 ( -3.697 2.422 1.686) 4.731 13.908 ( -18.949 -9.604 -0.388) 21.247 14.561 ( 8.015 -5.694 0.171) 9.833 14.887 ( 15.119 18.993 0.527) 24.282 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( -10.038 0.594 4.555) 11.039 3.723 ( 0.733 -4.226 -5.599) 7.053 4.231 ( -23.649 -1.942 2.016) 23.814 5.013 ( -3.518 -19.322 1.356) 19.687 5.440 ( -3.834 6.367 -1.673) 7.618 5.583 ( -0.695 2.177 1.597) 2.788 5.900 ( 6.934 10.903 -1.570) 13.017 6.168 ( -2.987 4.921 15.486) 16.522 6.563 ( 5.842 6.673 -4.423) 9.910 8.428 ( -0.510 -8.716 -3.306) 9.336 8.742 ( 1.174 3.256 3.614) 5.004 8.975 ( 7.254 -7.133 -12.188) 15.876 10.490 ( 4.797 6.956 0.999) 8.509 11.072 ( 0.799 -17.519 -1.966) 17.647 11.719 ( 2.118 6.522 2.560) 7.320 13.502 ( -16.401 -10.776 -0.417) 19.629 14.669 ( 7.558 -0.850 -0.068) 7.605 15.324 ( 14.744 16.833 1.687) 22.440 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -12.441 -2.806 4.169) 13.417 3.538 ( -17.551 -0.165 -1.920) 17.656 3.915 ( -11.435 -1.698 -0.391) 11.567 4.816 ( -0.372 -13.271 -1.929) 13.416 5.395 ( -6.568 3.947 1.118) 7.744 5.565 ( -5.487 3.030 4.094) 7.487 6.159 ( 9.610 10.194 1.484) 14.088 6.213 ( -3.203 4.748 13.532) 14.694 6.731 ( 4.845 10.689 -3.519) 12.252 8.313 ( -1.572 -8.147 -2.498) 8.665 8.778 ( -0.328 0.306 4.179) 4.203 8.974 ( 9.618 -10.756 -18.328) 23.326 10.616 ( 2.597 -0.288 -1.662) 3.097 10.993 ( 9.857 -9.552 1.625) 13.822 11.844 ( 5.121 4.080 1.070) 6.634 13.153 ( -11.756 -11.123 -0.157) 16.185 14.773 ( 3.564 1.895 -0.146) 4.039 15.712 ( 13.117 12.049 2.746) 18.022 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 0.000 4.349 2.231) 4.888 2.900 ( 0.000 6.042 7.438) 9.583 3.788 ( -0.000 -0.428 -9.816) 9.825 3.794 ( -0.000 5.072 -2.230) 5.541 5.265 ( 0.000 -23.802 11.761) 26.549 5.685 ( 0.000 13.255 4.234) 13.915 6.365 ( -0.000 -1.249 -0.146) 1.258 6.538 ( 0.000 12.774 -1.415) 12.852 7.049 ( -0.000 -2.191 -2.731) 3.501 8.492 ( 0.000 6.593 -1.266) 6.714 8.920 ( 0.000 4.416 1.429) 4.642 9.488 ( -0.000 -4.242 -7.237) 8.389 10.390 ( -0.000 -9.235 -0.965) 9.286 11.167 ( -0.000 -12.372 -4.488) 13.161 11.551 ( 0.000 -3.949 3.370) 5.192 12.807 ( 0.000 -0.179 0.414) 0.451 14.999 ( -0.000 -4.967 -1.021) 5.071 15.838 ( 0.000 1.829 3.515) 3.962 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 8.975 4.235 -0.399) 9.932 3.027 ( 10.094 2.206 8.926) 13.654 3.741 ( -1.530 1.155 -4.451) 4.846 3.936 ( 11.631 2.796 -2.679) 12.259 5.134 ( 4.888 -18.669 10.587) 22.012 5.803 ( -0.137 8.269 2.024) 8.515 6.338 ( -2.241 0.384 0.283) 2.292 6.610 ( -3.087 7.592 -1.648) 8.360 7.023 ( -0.793 -0.822 -1.618) 1.981 8.536 ( -0.883 5.051 -1.949) 5.485 8.898 ( -6.663 2.591 -0.276) 7.154 9.299 ( -13.011 -3.050 -6.448) 14.837 10.453 ( 13.338 -4.426 -0.719) 14.071 11.008 ( -3.900 -8.826 -3.494) 10.262 11.516 ( -1.289 -2.625 4.018) 4.969 12.927 ( 13.118 1.029 0.142) 13.159 14.919 ( -4.100 -4.365 -0.915) 6.059 15.787 ( -8.566 0.440 2.741) 9.004 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 6.315 1.481 1.746) 6.717 3.388 ( 23.468 1.122 3.509) 23.756 3.729 ( 0.064 2.102 0.565) 2.177 4.219 ( 18.887 2.313 -0.943) 19.052 5.140 ( 9.225 -11.424 8.362) 16.897 5.848 ( -1.454 2.807 -0.138) 3.164 6.282 ( -6.227 1.295 -0.724) 6.402 6.575 ( -5.081 1.602 -2.068) 5.715 6.980 ( -4.007 -0.106 -0.736) 4.075 8.529 ( -3.994 1.495 -3.202) 5.333 8.774 ( -7.695 3.000 -3.541) 8.987 9.041 ( -12.738 -0.285 0.097) 12.742 10.661 ( 10.841 2.006 0.864) 11.059 10.867 ( -1.796 -7.167 -4.439) 8.620 11.507 ( 1.844 -1.510 3.805) 4.490 13.236 ( 20.041 2.630 -0.122) 20.213 14.770 ( -7.800 -4.124 -0.432) 8.833 15.581 ( -16.164 -0.622 1.487) 16.244 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( 8.462 -0.973 0.580) 8.537 3.629 ( -0.119 2.971 0.976) 3.129 3.956 ( 25.301 -1.216 5.320) 25.883 4.589 ( 21.527 1.878 1.086) 21.637 5.270 ( 11.708 -3.800 5.594) 13.520 5.806 ( -3.634 -1.403 -2.605) 4.686 6.114 ( -13.924 -0.488 -2.249) 14.113 6.482 ( -3.759 -1.794 -4.555) 6.172 6.847 ( -11.347 -0.663 -1.874) 11.520 8.436 ( -4.083 1.584 -2.000) 4.814 8.735 ( -0.777 1.836 -1.875) 2.737 8.862 ( -10.202 2.345 4.648) 11.453 10.730 ( -2.009 -8.720 -5.000) 10.251 10.868 ( 3.886 10.085 3.577) 11.385 11.584 ( 7.301 -1.818 1.088) 7.602 13.618 ( 22.010 0.275 -0.179) 22.012 14.603 ( -7.767 -0.036 -0.133) 7.768 15.253 ( -21.558 -0.885 0.343) 21.579 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( 9.681 -2.634 -1.523) 10.148 3.617 ( -4.796 3.302 4.294) 7.235 4.376 ( 24.021 -6.855 4.460) 25.375 4.962 ( 19.423 0.133 3.649) 19.763 5.474 ( 10.536 1.582 2.239) 10.887 5.701 ( -4.482 -0.912 -5.103) 6.853 5.799 ( -19.025 -3.100 -2.723) 19.467 6.394 ( -2.232 -0.454 -8.961) 9.246 6.595 ( -14.838 -1.140 -0.613) 14.894 8.460 ( 1.808 4.875 3.082) 6.045 8.658 ( -4.159 -5.610 0.274) 6.989 8.838 ( -1.321 6.262 3.681) 7.383 10.569 ( -5.013 -6.075 -5.678) 9.710 11.041 ( 1.884 9.850 6.271) 11.828 11.678 ( 5.448 -2.798 -1.759) 6.372 13.909 ( 16.949 -13.189 0.390) 21.480 14.588 ( 0.439 13.839 -0.697) 13.864 14.868 ( -22.557 1.652 -0.181) 22.618 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( 6.149 -4.203 -3.497) 8.228 3.581 ( -3.419 2.748 5.789) 7.263 4.592 ( 10.816 -14.835 3.601) 18.709 5.191 ( 3.112 -11.627 8.778) 14.897 5.453 ( -8.375 1.096 -5.448) 10.051 5.575 ( -0.664 3.358 -3.289) 4.747 5.737 ( 4.281 8.895 -5.383) 11.244 6.354 ( -5.355 7.121 -1.447) 9.026 6.399 ( -1.951 -2.312 -2.806) 4.126 8.471 ( -3.988 -4.405 1.953) 6.254 8.643 ( 4.403 3.716 2.171) 6.157 8.877 ( -0.326 0.591 1.514) 1.658 10.451 ( -2.246 0.047 -3.374) 4.054 11.114 ( -2.561 -0.211 3.559) 4.390 11.703 ( 1.402 -0.570 -1.113) 1.879 13.899 ( 1.794 -21.426 0.450) 21.506 14.570 ( -10.127 4.190 -0.667) 10.979 14.895 ( 8.797 23.405 -0.284) 25.005 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( -5.634 -4.965 1.715) 7.703 3.631 ( 3.888 0.626 -0.902) 4.041 4.484 ( -7.048 -12.437 2.120) 14.451 4.885 ( -10.516 -20.480 2.917) 23.206 5.521 ( 3.264 3.658 -0.187) 4.906 5.605 ( 0.119 5.231 -3.128) 6.096 5.895 ( 5.445 11.181 -3.098) 12.816 6.313 ( -3.511 2.210 8.856) 9.780 6.510 ( 7.554 10.244 -6.258) 14.183 8.360 ( -2.297 -6.171 -1.077) 6.672 8.748 ( 0.627 -1.032 8.370) 8.456 8.839 ( 0.405 -1.841 -8.723) 8.924 10.500 ( 3.995 7.890 -0.302) 8.849 10.958 ( -7.090 -13.463 -0.081) 15.216 11.745 ( 1.712 3.684 0.865) 4.154 13.598 ( -11.020 -19.317 -0.084) 22.239 14.587 ( 3.620 6.369 -0.081) 7.327 15.291 ( 11.231 20.298 0.167) 23.198 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -8.785 -7.748 2.235) 11.925 3.670 ( -0.779 2.251 -2.296) 3.309 4.184 ( -18.743 -3.059 1.943) 19.090 4.601 ( 2.036 -21.183 -2.109) 21.385 5.535 ( -4.117 3.070 0.367) 5.149 5.662 ( 0.335 3.659 3.018) 4.754 6.121 ( 7.706 11.329 0.398) 13.707 6.331 ( -1.066 3.004 6.286) 7.048 6.738 ( 6.589 12.490 -2.075) 14.273 8.269 ( -1.776 -4.994 -1.074) 5.408 8.656 ( 0.614 -12.558 -3.778) 13.128 8.858 ( 0.292 2.157 -2.681) 3.453 10.628 ( -5.563 -1.405 -2.005) 6.078 10.767 ( 8.783 -4.340 1.948) 9.988 11.820 ( 2.530 3.212 0.542) 4.124 13.220 ( -11.675 -16.276 -0.052) 20.031 14.735 ( 5.002 6.212 -0.179) 7.978 15.648 ( 10.331 14.216 1.103) 17.608 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 0.000 0.871 1.314) 1.577 3.020 ( 0.000 0.482 7.994) 8.008 3.754 ( -0.000 1.683 -1.169) 2.049 3.853 ( -0.000 2.238 -1.346) 2.612 4.971 ( 0.000 -12.532 9.183) 15.537 5.868 ( 0.000 3.758 0.049) 3.759 6.349 ( 0.000 -0.419 0.416) 0.590 6.697 ( -0.000 4.784 -3.431) 5.888 7.021 ( -0.000 0.194 -0.739) 0.764 8.571 ( -0.000 2.701 -3.808) 4.668 8.975 ( -0.000 1.039 -0.412) 1.117 9.399 ( -0.000 0.280 -5.341) 5.349 10.268 ( -0.000 -2.953 0.234) 2.962 10.982 ( -0.000 -3.444 -3.501) 4.911 11.522 ( 0.000 -2.062 5.052) 5.456 12.806 ( 0.000 -0.083 0.104) 0.133 14.930 ( -0.000 -1.361 -0.656) 1.511 15.869 ( 0.000 -0.516 1.843) 1.913 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 10.119 -0.343 -1.668) 10.261 3.088 ( 9.029 -2.927 9.625) 13.517 3.772 ( -1.160 2.921 2.865) 4.252 3.970 ( 11.745 1.538 0.277) 11.849 4.959 ( 5.363 -4.826 6.906) 9.987 5.872 ( -0.695 -1.254 -1.832) 2.327 6.338 ( -1.528 -0.271 -0.109) 1.555 6.668 ( -4.607 0.163 -4.432) 6.395 7.019 ( -0.946 0.758 0.064) 1.214 8.561 ( -1.147 -0.067 -5.423) 5.544 8.913 ( -6.826 0.030 -2.265) 7.192 9.280 ( -11.831 3.493 -0.180) 12.337 10.413 ( 15.458 0.445 0.092) 15.465 10.905 ( -5.459 0.931 -3.394) 6.495 11.512 ( -1.174 -1.041 5.239) 5.469 12.938 ( 14.510 -0.077 -0.057) 14.510 14.876 ( -5.525 0.395 -0.238) 5.544 15.789 ( -8.685 -1.263 0.742) 8.808 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 6.484 -3.382 0.282) 7.318 3.401 ( 24.492 -3.402 5.148) 25.257 3.788 ( -1.123 1.539 5.427) 5.751 4.259 ( 19.040 1.329 3.268) 19.364 5.098 ( 9.567 2.790 4.288) 10.849 5.808 ( -1.682 -5.438 -3.859) 6.877 6.262 ( -6.689 -1.966 -2.565) 7.428 6.532 ( -6.488 -3.108 -5.940) 9.329 6.978 ( -5.466 0.329 -1.106) 5.587 8.491 ( -2.919 -1.245 -5.517) 6.364 8.792 ( -5.309 0.104 -1.377) 5.486 9.128 ( -12.720 6.201 6.549) 15.593 10.647 ( 5.861 -2.711 -0.250) 6.462 10.882 ( 3.840 10.281 -3.341) 11.472 11.508 ( 0.269 -0.867 4.126) 4.225 13.236 ( 20.215 -2.467 -0.094) 20.365 14.772 ( -8.041 4.285 -0.272) 9.116 15.565 ( -16.021 -1.330 -0.032) 16.076 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 8.542 -4.922 -0.661) 9.880 3.722 ( 2.355 3.501 4.755) 6.357 3.874 ( 21.536 -10.905 5.714) 24.807 4.628 ( 20.904 -0.133 6.201) 21.805 5.344 ( 10.920 8.397 1.698) 13.879 5.699 ( -1.495 -6.360 -5.784) 8.726 6.031 ( -14.435 -5.458 -4.136) 15.977 6.389 ( -3.417 -2.536 -9.587) 10.489 6.810 ( -12.315 -0.965 -4.012) 12.988 8.475 ( 2.482 2.620 -0.392) 3.630 8.701 ( -5.197 -3.186 1.770) 6.348 9.026 ( -10.131 7.711 8.756) 15.452 10.581 ( -4.697 -2.231 -4.757) 7.047 11.141 ( 5.757 14.105 4.420) 15.863 11.534 ( 4.419 -3.166 -0.771) 5.491 13.505 ( 16.929 -10.008 0.415) 19.670 14.741 ( -3.279 11.974 -1.557) 12.512 15.247 ( -19.931 0.987 0.072) 19.955 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( 9.355 -6.002 -2.953) 11.501 3.711 ( -5.036 0.700 7.654) 9.189 4.154 ( 21.100 -17.061 2.506) 27.250 4.962 ( 15.935 -4.554 9.761) 19.234 5.540 ( 0.598 -0.845 -2.257) 2.483 5.645 ( -4.479 1.438 -8.179) 9.436 5.739 ( -2.632 2.780 -2.766) 4.723 6.313 ( 1.140 -0.333 -13.368) 13.421 6.578 ( -11.320 0.726 -1.983) 11.515 8.555 ( -6.650 -5.676 3.275) 9.336 8.604 ( 5.063 6.153 3.234) 8.599 8.975 ( -7.497 4.105 8.156) 11.814 10.482 ( -3.335 1.578 -4.628) 5.918 11.253 ( -7.705 4.884 6.844) 11.404 11.612 ( 7.778 0.299 -3.948) 8.728 13.597 ( 9.422 -16.691 0.944) 19.190 14.790 ( -8.316 4.271 -3.130) 9.858 15.063 ( -4.162 19.016 0.776) 19.482 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 5.627 -8.327 -4.788) 11.132 3.656 ( -2.767 -1.391 7.436) 8.055 4.239 ( 10.872 -20.364 0.430) 23.088 4.980 ( -10.440 -13.192 7.534) 18.433 5.449 ( 3.518 0.131 -3.599) 5.034 5.617 ( 2.106 1.757 -4.886) 5.603 5.910 ( 5.194 12.523 -3.484) 13.998 6.315 ( 3.084 -0.791 -11.980) 12.396 6.524 ( 1.297 9.164 2.485) 9.584 8.394 ( -6.697 -4.880 3.133) 8.859 8.762 ( 4.816 4.687 2.859) 7.303 8.866 ( -9.687 -2.356 5.823) 11.545 10.503 ( 2.564 6.555 -1.434) 7.183 11.055 ( -14.257 -6.551 1.619) 15.773 11.736 ( 3.953 4.610 -0.866) 6.135 13.498 ( -0.869 -19.499 0.444) 19.523 14.672 ( -5.111 5.993 -0.629) 7.902 15.339 ( 7.125 21.760 -1.170) 22.927 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( -0.000 -2.490 0.387) 2.519 3.018 ( 0.000 -6.101 7.578) 9.729 3.853 ( 0.000 5.604 8.326) 10.036 3.863 ( -0.000 -0.625 -0.417) 0.752 4.922 ( 0.000 2.924 4.586) 5.439 5.832 ( -0.000 -6.270 -3.305) 7.088 6.354 ( 0.000 0.470 0.841) 0.963 6.674 ( -0.000 -3.879 -5.401) 6.650 7.038 ( 0.000 1.453 0.811) 1.664 8.541 ( -0.000 -1.798 -6.404) 6.651 8.959 ( -0.000 -1.923 -1.928) 2.723 9.434 ( -0.000 5.583 -2.439) 6.092 10.278 ( 0.000 3.530 1.179) 3.721 10.986 ( -0.000 5.811 -2.794) 6.448 11.540 ( 0.000 0.117 6.513) 6.514 12.803 ( -0.000 -0.179 -0.152) 0.234 14.936 ( 0.000 2.015 -0.122) 2.019 15.849 ( -0.000 -1.860 0.100) 1.862 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 8.598 -4.229 -2.055) 9.799 3.036 ( 10.842 -8.686 8.416) 16.242 3.847 ( -0.833 0.147 3.744) 3.838 4.035 ( 10.638 3.400 8.527) 14.051 5.044 ( 5.220 10.145 1.977) 11.579 5.730 ( -0.357 -10.856 -4.763) 11.860 6.330 ( -4.017 -0.396 -0.474) 4.064 6.560 ( -4.188 -7.044 -6.192) 10.271 7.047 ( -1.898 1.818 0.472) 2.671 8.481 ( -1.328 -3.164 -6.509) 7.358 8.873 ( -5.221 -2.616 -2.286) 6.271 9.406 ( -8.803 7.715 2.435) 11.956 10.469 ( 13.195 4.989 0.819) 14.130 10.994 ( -5.271 10.227 -4.069) 12.204 11.555 ( -1.920 1.567 7.073) 7.494 12.924 ( 13.348 -1.127 -0.160) 13.396 14.921 ( -4.382 4.059 -0.706) 6.014 15.758 ( -8.418 -1.856 0.078) 8.621 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 6.777 -7.437 -0.052) 10.061 3.298 ( 24.820 -10.468 3.656) 27.184 3.838 ( -1.848 -1.132 5.546) 5.954 4.329 ( 17.025 1.203 10.161) 19.863 5.293 ( 8.554 15.094 -0.535) 17.358 5.590 ( 0.559 -12.937 -5.931) 14.243 6.170 ( -10.836 -5.801 -3.514) 12.783 6.395 ( -4.469 -4.815 -7.703) 10.124 6.970 ( -8.681 0.179 -3.096) 9.219 8.433 ( 1.920 -1.467 -2.855) 3.741 8.759 ( -4.376 -2.877 -0.018) 5.237 9.335 ( -11.221 9.075 8.011) 16.506 10.644 ( -0.838 3.190 -0.560) 3.345 11.112 ( 9.251 14.627 -4.936) 17.998 11.549 ( -4.107 2.055 6.642) 8.075 13.155 ( 15.366 -5.326 0.218) 16.265 14.896 ( -3.773 7.856 -2.805) 9.155 15.549 ( -14.484 0.223 1.155) 14.531 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 8.924 -8.537 -1.309) 12.419 3.593 ( 22.113 -19.102 2.046) 29.292 3.810 ( -1.063 -0.266 5.585) 5.691 4.671 ( 18.207 -2.076 11.816) 21.805 5.454 ( 2.509 -10.050 -4.254) 11.198 5.616 ( 8.439 13.520 -6.408) 17.177 5.874 ( -12.482 -5.677 -3.179) 14.076 6.269 ( -2.681 -1.884 -11.288) 11.754 6.759 ( -11.911 -0.970 -5.196) 13.031 8.503 ( 5.477 -0.985 1.924) 5.888 8.664 ( -3.729 -1.359 1.610) 4.283 9.256 ( -12.464 8.265 11.693) 18.984 10.590 ( -6.717 5.753 -2.963) 9.328 11.444 ( 13.012 7.847 -5.411) 16.130 11.479 ( -9.218 4.776 7.508) 12.812 13.296 ( 10.216 -10.819 0.894) 14.907 14.913 ( -3.156 5.353 -5.673) 8.414 15.358 ( -11.002 10.955 2.745) 15.767 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 8.898 -9.350 -3.683) 13.423 3.602 ( 5.326 -20.665 4.829) 21.880 3.889 ( 8.687 -6.414 1.207) 10.865 4.921 ( 8.630 -7.499 11.508) 16.222 5.381 ( 1.759 -8.149 -6.592) 10.628 5.579 ( -3.486 -3.473 -4.852) 6.910 5.947 ( 5.323 16.289 -3.538) 17.498 6.204 ( 1.773 -0.587 -14.555) 14.674 6.610 ( -3.285 3.668 -0.594) 4.959 8.464 ( -5.343 -6.139 4.081) 9.104 8.711 ( 5.080 3.089 -0.725) 5.990 9.138 ( -14.706 5.116 14.360) 21.182 10.567 ( -2.669 8.382 -1.475) 8.920 11.267 ( -14.423 -3.684 1.075) 14.924 11.713 ( 5.824 10.063 -0.646) 11.644 13.299 ( 4.036 -14.172 0.772) 14.756 14.814 ( -6.948 1.044 -2.488) 7.453 15.469 ( 1.787 20.764 -0.725) 20.853 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -0.000 -6.124 -0.741) 6.168 2.893 ( 0.000 -11.380 6.367) 13.040 3.822 ( -0.000 -3.577 0.425) 3.602 4.048 ( 0.000 4.796 14.835) 15.591 5.134 ( 0.000 16.647 -0.629) 16.659 5.582 ( -0.000 -15.868 -5.320) 16.736 6.380 ( 0.000 1.458 1.279) 1.939 6.482 ( -0.000 -11.106 -6.504) 12.871 7.091 ( 0.000 3.347 1.128) 3.532 8.435 ( -0.000 -4.147 -6.379) 7.609 8.872 ( -0.000 -5.250 -2.976) 6.035 9.559 ( 0.000 7.792 -1.239) 7.890 10.420 ( 0.000 9.778 1.772) 9.937 11.154 ( -0.000 12.977 -3.713) 13.498 11.629 ( 0.000 4.115 9.050) 9.941 12.799 ( -0.000 -0.063 -0.288) 0.295 14.988 ( -0.000 3.327 -2.053) 3.910 15.813 ( 0.000 -1.757 1.208) 2.132 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 6.691 -8.678 -1.745) 11.096 2.864 ( 12.190 -13.576 5.091) 18.942 3.812 ( 2.522 -4.864 1.579) 5.701 4.184 ( 6.795 0.929 15.255) 16.726 5.352 ( 4.390 20.591 -3.330) 21.315 5.400 ( 1.036 -18.551 -5.068) 19.258 6.261 ( -8.184 -9.263 -3.984) 12.986 6.389 ( -2.112 -1.971 -2.756) 3.992 7.093 ( -4.990 3.029 -1.202) 5.960 8.372 ( 0.661 -3.823 -4.175) 5.699 8.777 ( -2.555 -5.545 -1.931) 6.404 9.586 ( -5.394 8.457 2.228) 10.276 10.621 ( 8.074 9.865 0.913) 12.781 11.220 ( -4.718 15.358 -5.275) 16.911 11.688 ( -3.227 6.676 9.679) 12.193 12.898 ( 10.468 -1.326 -0.071) 10.552 14.988 ( -1.910 3.453 -4.904) 6.295 15.744 ( -7.369 0.139 3.542) 8.177 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 7.488 -12.198 0.199) 14.314 3.041 ( 21.123 -16.834 -0.225) 27.011 3.799 ( 1.203 -5.917 3.143) 6.807 4.402 ( 14.825 -4.288 13.388) 20.431 5.243 ( 3.672 -17.692 -3.093) 18.332 5.625 ( 5.516 16.899 -8.231) 19.589 6.003 ( -9.520 -4.738 -2.230) 10.865 6.298 ( -5.425 -0.156 -5.211) 7.524 6.938 ( -12.561 -0.424 -5.872) 13.872 8.397 ( 5.770 -1.839 1.046) 6.145 8.690 ( -1.806 -3.845 0.156) 4.251 9.565 ( -8.954 8.463 7.286) 14.314 10.762 ( -3.468 9.017 -0.645) 9.682 11.344 ( 4.944 12.686 -6.319) 15.011 11.715 ( -6.387 9.773 9.158) 14.839 13.051 ( 9.718 -5.166 0.538) 11.019 14.966 ( -1.648 1.810 -8.075) 8.437 15.636 ( -9.256 7.098 5.518) 12.904 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 10.091 -12.528 -1.546) 16.160 3.157 ( 15.793 -25.057 -1.097) 29.639 3.784 ( 3.024 -5.324 2.948) 6.796 4.657 ( 16.725 -9.530 9.814) 21.606 5.166 ( 6.963 -14.363 -1.449) 16.027 5.613 ( -5.936 -4.919 -8.098) 11.180 6.043 ( 1.953 19.592 -3.088) 19.929 6.192 ( -4.474 1.461 -7.591) 8.931 6.711 ( -8.173 -0.218 -4.172) 9.179 8.456 ( 1.459 -5.274 3.692) 6.602 8.667 ( 1.928 0.720 -0.578) 2.137 9.491 ( -12.766 7.188 11.819) 18.823 10.746 ( -7.271 10.670 -0.958) 12.948 11.424 ( -5.499 1.707 -2.747) 6.380 11.790 ( -0.815 14.834 4.144) 15.424 13.111 ( 5.087 -8.550 0.773) 9.978 14.887 ( -4.031 -2.578 -5.615) 7.378 15.666 ( -2.560 16.739 2.003) 17.052 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -0.000 -10.512 -2.264) 10.753 2.658 ( -0.000 -16.313 3.845) 16.760 3.729 ( -0.000 -6.466 1.104) 6.559 4.162 ( 0.000 -6.318 14.390) 15.716 5.179 ( -0.000 -20.586 -2.765) 20.771 5.514 ( -0.000 21.963 -6.099) 22.794 6.195 ( -0.000 -11.534 -5.265) 12.679 6.426 ( 0.000 2.141 1.501) 2.614 7.185 ( 0.000 6.046 -0.883) 6.111 8.309 ( -0.000 -4.545 -4.115) 6.132 8.719 ( -0.000 -7.989 -2.852) 8.483 9.702 ( 0.000 7.131 -0.690) 7.164 10.672 ( 0.000 14.304 1.532) 14.386 11.415 ( -0.000 16.080 -4.660) 16.742 11.839 ( 0.000 10.457 10.740) 14.991 12.801 ( -0.000 0.506 -0.180) 0.537 14.997 ( -0.000 -0.031 -7.945) 7.945 15.829 ( 0.000 1.293 6.949) 7.068 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 4.747 -17.795 1.455) 18.475 2.585 ( 12.763 -14.765 -2.995) 19.745 3.692 ( 2.795 -8.395 1.485) 8.972 4.156 ( 8.332 -15.729 9.892) 20.363 5.000 ( 2.472 -19.448 1.724) 19.680 5.679 ( 0.849 9.986 -11.022) 14.897 6.090 ( -2.813 3.949 -0.479) 4.872 6.402 ( -5.401 2.157 0.161) 5.818 7.141 ( -11.294 4.191 -5.632) 13.298 8.290 ( 3.929 -2.920 -0.061) 4.896 8.643 ( 1.158 -6.523 -1.209) 6.735 9.748 ( -2.458 6.311 1.700) 6.983 10.856 ( 2.937 13.341 0.281) 13.663 11.501 ( -5.506 16.645 -4.397) 18.075 11.950 ( -4.423 12.836 9.728) 16.702 12.878 ( 7.099 -0.617 0.211) 7.128 14.947 ( -0.335 -2.651 -10.598) 10.930 15.839 ( -4.628 5.146 9.233) 11.539 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 10.348 -19.487 0.116) 22.064 2.655 ( 14.905 -20.224 -4.282) 25.485 3.654 ( 3.923 -10.496 1.459) 11.299 4.238 ( 18.278 -19.834 4.696) 27.377 4.894 ( 6.200 -18.626 3.990) 20.032 5.622 ( -3.791 -3.113 -8.650) 9.944 6.228 ( 0.779 21.036 -0.291) 21.052 6.314 ( -7.495 4.539 -0.835) 8.802 6.882 ( -15.637 -0.163 -7.646) 17.407 8.357 ( 5.262 -3.823 2.476) 6.960 8.634 ( 2.382 -1.438 -0.094) 2.784 9.747 ( -6.074 5.391 5.654) 9.895 10.966 ( -4.657 11.491 -0.621) 12.414 11.553 ( -4.962 13.120 -3.115) 14.369 12.021 ( -5.757 14.626 7.002) 17.208 12.969 ( 4.999 -3.467 0.582) 6.112 14.863 ( -0.870 -5.598 -8.834) 10.494 15.874 ( -3.385 11.812 6.187) 13.757 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -0.000 -21.592 -0.311) 21.594 2.315 ( -0.000 -16.137 -4.299) 16.700 3.588 ( -0.000 -8.684 1.601) 8.830 3.874 ( -0.000 -30.020 4.030) 30.289 4.799 ( 0.000 -20.704 5.946) 21.541 5.684 ( -0.000 -0.099 -10.401) 10.401 6.215 ( 0.000 17.226 1.222) 17.269 6.475 ( 0.000 1.724 0.959) 1.973 7.309 ( -0.000 10.000 -8.585) 13.179 8.225 ( 0.000 -2.323 1.143) 2.589 8.541 ( -0.000 -8.296 -1.015) 8.357 9.813 ( 0.000 3.980 0.179) 3.984 10.976 ( 0.000 15.631 0.191) 15.632 11.717 ( 0.000 17.538 -2.695) 17.744 12.164 ( 0.000 15.158 8.477) 17.367 12.820 ( 0.000 1.488 0.337) 1.526 14.863 ( -0.000 -6.220 -12.501) 13.963 15.962 ( 0.000 5.039 12.304) 13.296 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 5.784 -25.266 -2.292) 26.020 2.239 ( 10.831 -18.579 -5.045) 22.089 3.471 ( 1.055 -19.188 0.530) 19.224 3.722 ( 15.395 -25.796 2.017) 30.108 4.622 ( 3.065 -24.267 5.146) 24.995 5.630 ( -2.023 -0.535 -5.658) 6.033 6.403 ( -1.635 13.735 0.267) 13.834 6.469 ( -1.373 8.453 2.626) 8.957 7.198 ( -18.947 9.059 -12.667) 24.525 8.252 ( 3.498 -2.502 3.013) 5.251 8.537 ( 6.505 -3.180 0.453) 7.255 9.844 ( -0.321 2.117 1.600) 2.673 11.124 ( -0.774 13.627 -0.748) 13.669 11.819 ( -7.059 18.076 -1.494) 19.463 12.290 ( -5.289 15.345 6.760) 17.582 12.880 ( 3.895 0.635 0.621) 3.995 14.755 ( 0.938 -8.580 -11.375) 14.279 16.043 ( -1.727 7.688 10.937) 13.479 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -0.000 -26.594 -5.181) 27.094 1.897 ( -0.000 -22.948 -6.407) 23.826 3.135 ( -0.000 -44.751 0.732) 44.757 3.420 ( -0.000 -9.343 1.779) 9.511 4.350 ( -0.000 -28.739 3.475) 28.949 5.639 ( -0.000 1.531 -2.369) 2.820 6.499 ( -0.000 0.382 -0.188) 0.426 6.593 ( 0.000 14.959 4.936) 15.752 7.476 ( -0.000 19.458 -25.179) 31.822 8.251 ( 0.000 0.992 10.445) 10.493 8.398 ( -0.000 -6.337 1.449) 6.501 9.847 ( 0.000 -1.160 1.058) 1.570 11.265 ( 0.000 13.885 -1.458) 13.961 12.069 ( 0.000 19.306 0.116) 19.306 12.514 ( 0.000 15.426 4.648) 16.111 12.864 ( 0.000 2.475 1.092) 2.705 14.606 ( -0.000 -10.939 -11.901) 16.164 16.162 ( 0.000 5.707 13.504) 14.660 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 0.000 -0.000 29.642) 29.642 0.625 ( 0.000 -0.000 29.642) 29.642 1.105 ( 0.000 -0.000 53.376) 53.376 3.047 ( -0.000 0.000 -3.861) 3.861 3.047 ( -0.000 0.000 -3.861) 3.861 5.642 ( -0.000 0.000 -9.369) 9.369 6.486 ( 0.000 -0.000 0.836) 0.836 6.486 ( 0.000 -0.000 0.836) 0.836 8.213 ( -0.000 0.000 -1.756) 1.756 8.213 ( -0.000 0.000 -1.756) 1.756 9.439 ( -0.000 0.000 -2.025) 2.025 11.237 ( 0.000 -0.000 4.469) 4.469 11.713 ( 0.000 -0.000 1.416) 1.416 11.713 ( 0.000 -0.000 1.416) 1.416 12.979 ( -0.000 0.000 -0.852) 0.852 12.979 ( -0.000 0.000 -0.852) 0.852 13.063 ( -0.000 0.000 -1.618) 1.618 16.096 ( -0.000 0.000 -0.498) 0.498 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 17.573 10.146 19.098) 27.865 1.001 ( 12.717 7.342 28.598) 32.148 1.707 ( 34.944 20.175 34.594) 53.149 3.097 ( 4.698 2.712 -3.698) 6.565 3.213 ( 15.853 9.153 -4.631) 18.882 5.594 ( -0.907 -0.524 -10.717) 10.768 6.479 ( -0.327 -0.189 0.405) 0.554 6.559 ( 3.670 2.119 -6.797) 8.010 7.904 ( -24.890 -14.370 0.509) 28.745 8.264 ( 3.566 2.059 -0.715) 4.179 9.408 ( -11.797 -6.811 8.359) 15.982 9.842 ( -25.250 -14.578 29.049) 41.157 11.634 ( -6.180 -3.568 0.553) 7.158 12.525 ( 0.320 0.185 -20.882) 20.886 12.881 ( -7.244 -4.182 -2.754) 8.807 12.979 ( -0.520 -0.300 -0.246) 0.649 13.752 ( 38.372 22.154 -7.658) 44.966 16.185 ( 7.118 4.110 -9.733) 12.739 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 22.003 12.704 10.611) 27.534 1.430 ( 18.001 10.393 20.662) 29.308 2.672 ( 39.641 22.887 21.129) 50.415 3.221 ( 7.052 4.071 -3.569) 8.890 3.673 ( 24.754 14.292 -4.674) 28.963 5.534 ( -1.099 -0.634 -10.694) 10.769 6.475 ( -0.084 -0.049 -0.177) 0.202 6.591 ( 2.021 1.167 -10.275) 10.537 7.281 ( -27.426 -15.834 2.375) 31.758 8.364 ( 5.110 2.950 0.641) 5.935 9.088 ( -15.232 -8.794 19.299) 26.111 9.761 ( -0.124 -0.072 -1.212) 1.220 11.447 ( -10.062 -5.810 -0.435) 11.627 12.308 ( -11.770 -6.795 -10.175) 16.977 12.657 ( -10.498 -6.061 -5.395) 13.269 12.954 ( -1.639 -0.946 0.329) 1.921 14.310 ( 15.184 8.767 5.471) 18.367 16.290 ( 4.734 2.733 -10.215) 11.585 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 20.124 11.618 6.988) 24.265 1.936 ( 21.380 12.344 12.748) 27.784 3.375 ( 7.318 4.225 -3.615) 9.190 3.578 ( 34.685 20.025 11.181) 41.582 4.241 ( 25.761 14.873 -3.029) 29.900 5.478 ( -0.885 -0.511 -8.253) 8.316 6.473 ( 0.025 0.014 -0.738) 0.739 6.550 ( -5.396 -3.115 -9.779) 11.595 6.805 ( -11.682 -6.745 5.044) 14.402 8.491 ( 5.546 3.202 2.015) 6.713 8.841 ( -12.524 -7.231 15.526) 21.218 9.665 ( -7.392 -4.268 -9.421) 12.713 11.191 ( -12.049 -6.956 -1.315) 13.975 11.976 ( -14.807 -8.549 -4.508) 17.681 12.403 ( -9.757 -5.633 -6.138) 12.830 12.912 ( -2.199 -1.269 0.680) 2.628 14.577 ( 7.494 4.326 8.144) 11.883 16.321 ( 0.453 0.261 -6.104) 6.126 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 16.207 9.357 5.211) 19.426 2.465 ( 22.208 12.822 7.118) 26.613 3.515 ( 6.049 3.493 -3.599) 7.858 4.251 ( 22.168 12.799 -4.732) 26.031 4.793 ( 22.685 13.097 4.887) 26.647 5.443 ( -0.111 -0.064 -3.619) 3.621 6.354 ( -6.136 -3.542 5.550) 9.000 6.468 ( -0.232 -0.134 -1.074) 1.106 6.760 ( 2.565 1.481 -2.493) 3.871 8.615 ( -11.726 -6.770 12.410) 18.367 8.620 ( 5.025 2.901 2.935) 6.502 9.366 ( -14.943 -8.627 -14.216) 22.357 10.910 ( -12.009 -6.933 -1.837) 13.988 11.635 ( -13.908 -8.030 -2.441) 16.244 12.188 ( -7.591 -4.383 -4.710) 9.951 12.865 ( -1.996 -1.153 0.733) 2.419 14.729 ( 4.111 2.373 6.124) 7.748 16.274 ( -3.126 -1.805 -2.519) 4.401 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 11.462 6.618 3.671) 13.735 2.980 ( 21.711 12.535 2.839) 25.230 3.620 ( 4.276 2.469 -2.963) 5.759 4.501 ( 3.986 2.301 -18.999) 19.548 5.259 ( 13.989 8.076 9.550) 18.765 5.505 ( 7.390 4.267 6.887) 10.966 6.344 ( 1.278 0.738 8.352) 8.481 6.454 ( -0.690 -0.398 -1.131) 1.384 6.833 ( 4.406 2.544 -3.151) 5.985 8.406 ( -9.486 -5.477 8.398) 13.803 8.733 ( 3.958 2.285 3.092) 5.518 8.945 ( -16.907 -9.761 -11.748) 22.785 10.649 ( -10.231 -5.907 -1.866) 11.961 11.342 ( -11.119 -6.419 -2.346) 13.051 12.029 ( -5.332 -3.078 -3.253) 6.963 12.830 ( -1.264 -0.730 0.569) 1.566 14.816 ( 2.357 1.361 3.273) 4.257 16.175 ( -4.936 -2.850 -0.441) 5.717 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 6.197 3.578 1.467) 7.304 3.461 ( 20.496 11.833 -1.006) 23.688 3.693 ( 2.968 1.714 -1.229) 3.641 4.370 ( -7.803 -4.505 -21.187) 23.024 5.485 ( 5.978 3.451 6.326) 9.363 5.768 ( 7.895 4.558 14.059) 16.756 6.368 ( -1.171 -0.676 -2.341) 2.704 6.432 ( -0.828 -0.478 -1.090) 1.450 6.929 ( 4.529 2.615 -1.466) 5.431 8.270 ( -3.937 -2.273 3.040) 5.469 8.598 ( -10.694 -6.174 3.159) 12.746 8.817 ( 2.507 1.447 2.698) 3.957 10.447 ( -6.954 -4.015 -1.573) 8.182 11.124 ( -7.221 -4.169 -2.867) 8.817 11.921 ( -3.324 -1.919 -2.907) 4.815 12.812 ( -0.557 -0.322 0.344) 0.729 14.865 ( 1.483 0.856 1.110) 2.041 16.061 ( -4.836 -2.792 0.156) 5.587 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 0.873 0.504 -1.014) 1.430 3.751 ( 2.120 1.224 1.047) 2.662 3.884 ( 16.264 9.390 -7.427) 20.196 4.070 ( -10.599 -6.119 -16.292) 20.377 5.568 ( -1.313 -0.758 1.588) 2.196 5.835 ( -4.242 -2.449 3.273) 5.892 6.331 ( 0.325 0.188 -3.017) 3.040 6.414 ( -0.371 -0.214 -1.132) 1.211 7.011 ( 2.819 1.628 -0.677) 3.325 8.209 ( -2.824 -1.631 1.038) 3.422 8.563 ( 4.228 2.441 20.328) 20.906 8.860 ( 0.552 0.318 2.251) 2.339 10.335 ( -2.310 -1.333 -1.281) 2.959 11.005 ( -2.300 -1.328 -3.233) 4.184 11.857 ( -1.352 -0.780 -3.562) 3.888 12.804 ( -0.244 -0.141 0.149) 0.319 14.894 ( 0.940 0.542 0.229) 1.109 15.968 ( -3.201 -1.848 -0.556) 3.738 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -3.673 -2.121 -2.329) 4.838 3.665 ( -15.277 -8.820 -16.695) 24.288 3.791 ( 0.720 0.415 2.382) 2.523 4.266 ( 14.663 8.466 -7.741) 18.617 5.424 ( -7.562 -4.366 -9.239) 12.712 5.712 ( -6.565 -3.791 -0.569) 7.603 6.323 ( -2.652 -1.531 3.877) 4.941 6.411 ( 0.466 0.269 -1.257) 1.367 7.053 ( 1.192 0.688 0.130) 1.382 8.174 ( -1.082 -0.625 5.917) 6.047 8.847 ( 12.710 7.338 22.653) 26.992 8.854 ( -1.847 -1.066 1.978) 2.908 10.340 ( 3.111 1.796 -1.098) 3.756 11.003 ( 3.167 1.828 -2.983) 4.719 11.839 ( 1.078 0.622 -4.640) 4.804 12.800 ( -0.182 -0.105 -0.017) 0.211 14.909 ( 0.085 0.049 0.810) 0.816 15.919 ( -0.551 -0.318 -2.405) 2.487 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -7.452 -4.302 -1.939) 8.820 3.244 ( -17.514 -10.112 -12.351) 23.696 3.790 ( -1.642 -0.948 2.285) 2.969 4.489 ( 6.734 3.888 -11.792) 14.125 5.289 ( -1.035 -0.598 -6.052) 6.169 5.520 ( -9.220 -5.323 -2.761) 10.998 6.216 ( -7.863 -4.540 6.085) 10.930 6.426 ( 1.255 0.725 -1.324) 1.963 7.077 ( 0.872 0.504 2.160) 2.383 8.193 ( 0.565 0.326 6.432) 6.465 8.790 ( -4.255 -2.457 1.681) 5.193 9.233 ( 14.214 8.207 18.686) 24.871 10.465 ( 8.154 4.708 -0.836) 9.452 11.127 ( 8.394 4.847 -1.702) 9.841 11.882 ( 4.479 2.586 -5.497) 7.548 12.797 ( 0.041 0.023 -0.194) 0.200 14.899 ( -1.590 -0.918 2.724) 3.285 15.928 ( 2.456 1.418 -5.076) 5.815 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -11.147 -6.436 -0.184) 12.872 2.791 ( -19.566 -11.296 -7.493) 23.803 3.727 ( -4.498 -2.597 1.223) 5.336 4.414 ( -11.315 -6.533 -10.662) 16.864 5.195 ( -9.696 -5.598 -3.461) 11.719 5.451 ( 5.779 3.337 1.415) 6.821 6.076 ( -3.254 -1.879 4.158) 5.604 6.455 ( 1.539 0.889 -1.135) 2.109 7.114 ( 1.325 0.765 5.970) 6.163 8.229 ( 1.067 0.616 2.536) 2.819 8.678 ( -5.969 -3.446 0.993) 6.963 9.579 ( 11.218 6.477 11.309) 17.196 10.691 ( 11.667 6.736 -0.261) 13.475 11.365 ( 12.744 7.358 0.440) 14.723 12.012 ( 8.723 5.036 -5.660) 11.553 12.803 ( 0.654 0.378 -0.426) 0.867 14.850 ( -4.029 -2.326 5.548) 7.241 15.991 ( 4.838 2.793 -8.026) 9.779 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -15.300 -8.833 2.613) 17.859 2.310 ( -21.599 -12.470 -1.820) 25.007 3.598 ( -6.983 -4.032 -0.263) 8.068 3.918 ( -28.766 -16.608 -5.296) 33.636 4.866 ( -18.260 -10.542 -6.304) 22.007 5.582 ( 2.344 1.353 9.143) 9.535 6.228 ( 15.867 9.161 -1.364) 18.372 6.483 ( 1.114 0.643 -0.574) 1.409 7.198 ( 4.214 2.433 12.877) 13.766 8.252 ( 1.145 0.661 -4.049) 4.260 8.537 ( -6.392 -3.690 -0.181) 7.383 9.795 ( 5.395 3.115 3.797) 7.295 10.974 ( 12.998 7.505 0.603) 15.021 11.694 ( 15.731 9.082 1.708) 18.245 12.234 ( 12.342 7.125 -5.172) 15.161 12.826 ( 1.492 0.861 -0.741) 1.875 14.753 ( -6.743 -3.893 8.864) 11.798 16.081 ( 5.699 3.290 -10.847) 12.687 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.000 25.478 20.583) 32.753 1.149 ( 0.000 22.686 21.843) 31.493 1.701 ( 0.000 23.860 39.679) 46.300 3.051 ( -0.000 4.396 -5.416) 6.976 3.235 ( 0.000 20.144 -3.632) 20.469 5.562 ( -0.000 0.009 -12.109) 12.109 6.505 ( 0.000 0.512 1.070) 1.186 6.538 ( -0.000 4.180 -5.641) 7.021 8.131 ( -0.000 -5.032 -4.249) 6.586 8.197 ( -0.000 1.525 -2.346) 2.798 9.405 ( 0.000 -16.967 7.675) 18.622 9.821 ( 0.000 -43.599 29.391) 52.580 11.690 ( 0.000 -4.953 1.950) 5.323 12.440 ( -0.000 2.212 -19.347) 19.473 12.915 ( -0.000 -6.802 -1.960) 7.079 12.940 ( -0.000 -2.084 -1.236) 2.423 13.781 ( 0.000 52.644 -7.554) 53.183 16.077 ( -0.000 -2.813 -6.679) 7.247 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 2.762 23.072 18.386) 29.631 1.448 ( 7.171 22.067 18.931) 29.946 2.377 ( 29.235 26.715 23.175) 45.885 3.159 ( 6.865 7.165 -5.491) 11.341 3.533 ( 10.549 24.166 -2.427) 26.480 5.516 ( -1.032 1.191 -12.247) 12.348 6.490 ( -1.839 0.071 0.547) 1.920 6.563 ( 0.917 2.716 -6.985) 7.550 7.704 ( -31.869 -7.055 -0.871) 32.652 8.288 ( 5.324 0.854 -0.619) 5.428 9.131 ( -2.795 -29.238 20.533) 35.837 9.734 ( 2.732 -1.652 1.830) 3.680 11.558 ( -7.965 -6.146 0.974) 10.107 12.324 ( -4.293 -8.327 -12.475) 15.602 12.729 ( -8.797 -9.958 -3.332) 13.699 12.935 ( 1.264 -2.781 -0.737) 3.142 14.303 ( 8.122 29.077 3.225) 30.361 16.103 ( 9.503 -4.881 -10.797) 15.189 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 12.616 17.357 16.139) 26.850 1.883 ( 10.218 23.530 10.470) 27.707 3.166 ( 25.445 14.002 7.248) 29.933 3.390 ( 13.909 16.835 -2.239) 21.952 4.018 ( 19.117 22.045 0.567) 29.185 5.473 ( -1.434 2.441 -10.494) 10.870 6.449 ( -1.797 -2.481 -0.099) 3.065 6.578 ( 0.460 2.662 -7.074) 7.572 7.112 ( -28.000 -4.972 4.457) 28.785 8.393 ( 6.814 -0.919 1.515) 7.041 8.922 ( -3.306 -17.207 13.948) 22.396 9.711 ( -4.305 -1.563 -7.032) 8.392 11.333 ( -11.305 -6.204 0.067) 12.896 12.069 ( -10.095 -11.203 -6.084) 16.261 12.451 ( -8.490 -11.398 -5.504) 15.242 12.922 ( -0.001 -1.582 -0.197) 1.594 14.618 ( 2.062 15.143 9.962) 18.243 16.176 ( 8.965 -6.732 -9.984) 15.012 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 15.535 18.311 8.702) 25.541 2.304 ( 11.898 17.985 8.523) 23.188 3.453 ( 6.682 6.766 -3.435) 10.111 3.974 ( 24.561 16.257 -6.307) 30.122 4.581 ( 21.659 18.361 7.696) 29.419 5.447 ( -1.221 3.114 -6.907) 7.674 6.383 ( -1.960 -3.997 1.998) 4.880 6.558 ( -4.800 2.319 -2.644) 5.950 6.781 ( -8.337 -0.588 5.047) 9.763 8.489 ( 5.843 -5.981 4.448) 9.471 8.768 ( -4.518 -6.774 8.151) 11.521 9.491 ( -13.162 -5.540 -12.786) 19.168 11.065 ( -13.096 -5.431 -0.598) 14.190 11.749 ( -12.235 -11.276 -2.352) 16.804 12.208 ( -5.275 -10.070 -5.739) 12.734 12.907 ( -1.356 1.051 0.117) 1.720 14.770 ( -0.742 8.144 9.243) 12.342 16.190 ( 4.906 -9.007 -6.180) 11.974 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 7.044 17.318 5.193) 19.404 2.773 ( 19.104 14.229 4.405) 24.225 3.592 ( 3.802 6.601 -3.358) 8.325 4.359 ( 11.371 7.692 -18.733) 23.225 5.125 ( 18.020 13.257 12.908) 25.828 5.466 ( 2.701 3.855 0.221) 4.712 6.361 ( 0.501 -0.579 6.759) 6.802 6.478 ( -4.410 -0.343 2.140) 4.914 6.768 ( 3.033 -0.204 0.520) 3.084 8.447 ( -2.421 -11.130 6.659) 13.194 8.739 ( 0.749 2.274 1.396) 2.771 9.113 ( -16.930 -7.277 -11.813) 21.889 10.795 ( -12.436 -3.974 -1.150) 13.106 11.436 ( -11.446 -9.836 -1.467) 15.163 12.036 ( -2.965 -7.714 -4.463) 9.392 12.901 ( -2.666 4.750 0.222) 5.452 14.832 ( -1.124 3.182 6.022) 6.903 16.130 ( 1.644 -10.674 -2.933) 11.191 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 2.676 13.890 2.838) 14.428 3.228 ( 18.703 11.246 -0.721) 21.836 3.700 ( 2.458 7.434 -1.764) 8.026 4.394 ( -3.813 3.336 -22.685) 23.243 5.441 ( 6.382 5.275 7.178) 10.959 5.694 ( 12.322 5.724 13.470) 19.132 6.372 ( -0.973 -2.417 0.051) 2.606 6.417 ( -2.114 -2.714 0.968) 3.574 6.845 ( 5.837 -0.907 1.731) 6.156 8.312 ( -3.989 -5.411 2.800) 7.283 8.687 ( -7.548 -6.765 -6.858) 12.238 8.869 ( -2.861 3.294 6.215) 7.593 10.575 ( -10.031 -0.583 -1.422) 10.148 11.166 ( -8.582 -9.192 -1.720) 12.693 11.920 ( -1.738 -5.321 -3.803) 6.768 12.911 ( -4.153 8.595 0.234) 9.549 14.848 ( 0.090 -0.800 2.866) 2.977 16.030 ( 0.297 -11.178 -1.115) 11.237 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( -2.376 10.244 -0.171) 10.517 3.578 ( 13.542 2.175 -4.284) 14.369 3.851 ( 5.521 13.778 -1.044) 14.879 4.199 ( -12.971 3.334 -19.868) 23.961 5.578 ( 2.297 1.871 4.916) 5.740 5.881 ( -0.970 -2.072 8.129) 8.445 6.293 ( 0.016 -2.518 -6.956) 7.398 6.366 ( 0.876 -5.646 0.832) 5.773 6.938 ( 5.367 -1.993 2.059) 6.084 8.253 ( -1.927 0.384 1.786) 2.656 8.551 ( 0.785 -4.176 8.251) 9.281 8.921 ( -0.442 4.779 6.620) 8.177 10.443 ( -7.358 4.903 -1.164) 8.918 10.967 ( -3.024 -9.354 -2.283) 10.092 11.842 ( -0.775 -3.462 -4.202) 5.499 12.926 ( -5.851 11.351 0.237) 12.772 14.849 ( 2.007 -3.491 0.845) 4.115 15.926 ( 0.704 -10.594 -0.683) 10.639 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( -6.557 6.705 -2.100) 9.611 3.671 ( -0.080 -3.615 -8.023) 8.800 3.944 ( -12.504 4.867 -9.678) 16.544 4.137 ( 9.755 15.911 -6.431) 19.741 5.512 ( -9.694 -2.256 -7.597) 12.521 5.762 ( -4.536 -4.619 -0.422) 6.488 6.306 ( 2.850 -4.709 2.280) 5.958 6.344 ( 2.502 -5.539 2.460) 6.557 6.994 ( 3.834 -3.682 1.672) 5.572 8.236 ( -2.508 2.101 4.917) 5.906 8.674 ( 10.025 -2.041 10.528) 14.680 8.994 ( 0.006 7.139 10.535) 12.726 10.415 ( -4.653 10.448 -0.467) 11.447 10.880 ( 4.559 -8.553 -2.619) 10.040 11.798 ( 0.790 -2.172 -5.250) 5.736 12.931 ( -7.225 12.152 0.207) 14.139 14.858 ( 3.343 -4.375 0.403) 5.520 15.850 ( 2.398 -9.274 -1.476) 9.692 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( -9.738 4.081 -2.030) 10.752 3.428 ( -16.819 -2.638 -13.601) 21.790 3.861 ( -3.974 3.744 1.074) 5.564 4.395 ( 7.294 11.496 -11.389) 17.750 5.315 ( -5.403 1.366 -10.690) 12.056 5.615 ( -8.148 -5.725 0.327) 9.964 6.265 ( -1.988 -8.719 5.984) 10.761 6.345 ( 3.413 -5.742 1.581) 6.864 7.016 ( 3.488 -5.314 2.444) 6.810 8.250 ( -1.596 3.594 6.215) 7.354 8.785 ( 2.396 -3.637 2.886) 5.225 9.195 ( 8.663 9.279 15.877) 20.328 10.481 ( -0.687 12.354 -0.023) 12.373 10.944 ( 11.409 -4.497 -1.714) 12.382 11.798 ( 3.681 -1.103 -6.379) 7.447 12.920 ( -7.485 10.998 0.099) 13.304 14.876 ( 2.797 -3.629 1.718) 4.893 15.821 ( 4.930 -7.440 -3.381) 9.544 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -12.796 2.297 -0.471) 13.009 3.032 ( -21.579 -2.816 -9.461) 23.730 3.815 ( -5.502 1.418 1.071) 5.782 4.483 ( -3.176 4.822 -13.211) 14.417 5.299 ( -4.356 0.838 1.028) 4.553 5.416 ( -2.359 0.204 -4.819) 5.369 6.124 ( -5.035 -9.296 7.052) 12.708 6.366 ( 5.077 -5.470 -0.023) 7.463 7.034 ( 4.654 -7.213 4.413) 9.652 8.281 ( -1.867 4.521 4.022) 6.333 8.740 ( -3.679 -3.023 1.367) 4.954 9.502 ( 10.927 7.075 10.693) 16.846 10.631 ( 5.060 10.640 -0.002) 11.782 11.156 ( 15.373 0.928 0.581) 15.412 11.868 ( 8.167 0.279 -7.073) 10.808 12.898 ( -6.286 8.645 -0.086) 10.689 14.883 ( -0.028 -2.437 4.605) 5.210 15.850 ( 7.542 -4.974 -6.103) 10.902 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -16.244 -0.163 1.316) 16.298 2.587 ( -24.217 -3.530 -3.318) 24.697 3.701 ( -8.363 -1.368 -0.226) 8.477 4.244 ( -21.837 -2.853 -7.752) 23.347 5.041 ( -15.304 -6.491 -5.712) 17.578 5.573 ( 5.183 3.105 9.691) 11.420 6.084 ( 8.015 2.526 0.442) 8.415 6.406 ( 5.375 -4.348 -0.609) 6.940 7.072 ( 7.712 -9.579 7.659) 14.488 8.291 ( -3.133 4.236 -0.280) 5.276 8.633 ( -6.109 -1.380 0.558) 6.288 9.739 ( 7.409 3.822 3.464) 9.028 10.856 ( 10.084 8.565 0.273) 13.233 11.466 ( 17.606 3.352 2.383) 18.080 12.037 ( 13.080 2.098 -7.127) 15.043 12.880 ( -3.995 5.994 -0.334) 7.212 14.850 ( -4.042 -2.161 8.244) 9.432 15.933 ( 8.771 -1.694 -8.871) 12.589 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.000 20.703 20.038) 28.812 1.712 ( 0.000 21.239 14.498) 25.716 2.492 ( 0.000 34.907 17.677) 39.127 3.144 ( -0.000 8.853 -5.771) 10.567 3.714 ( 0.000 28.515 -1.269) 28.544 5.508 ( -0.000 3.730 -11.942) 12.511 6.513 ( 0.000 -0.435 0.336) 0.550 6.554 ( -0.000 1.374 -5.648) 5.813 7.955 ( -0.000 -8.739 -10.265) 13.481 8.253 ( 0.000 5.481 -0.866) 5.549 8.840 ( 0.000 -37.663 27.248) 46.486 9.714 ( -0.000 3.085 -0.983) 3.238 11.542 ( -0.000 -11.183 0.853) 11.216 12.235 ( -0.000 -9.202 -10.453) 13.926 12.688 ( -0.000 -14.254 -3.469) 14.670 12.891 ( -0.000 -2.157 -0.546) 2.225 14.571 ( 0.000 30.385 6.425) 31.056 15.908 ( -0.000 -7.207 -11.056) 13.198 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 2.524 17.036 16.977) 24.183 2.037 ( 6.217 22.671 11.656) 26.239 3.020 ( 15.195 26.832 6.285) 31.470 3.307 ( 9.918 12.175 -5.593) 16.670 4.053 ( 7.306 27.545 2.054) 28.572 5.508 ( -1.541 6.732 -10.033) 12.180 6.477 ( -2.882 -1.555 0.016) 3.275 6.550 ( 1.199 -1.063 -4.003) 4.312 7.562 ( -25.997 -7.576 -2.188) 27.167 8.298 ( 2.075 -0.170 2.244) 3.061 8.722 ( 8.116 -21.375 13.870) 26.742 9.732 ( -1.258 1.032 -5.044) 5.300 11.388 ( -4.221 -11.594 0.276) 12.342 12.068 ( -4.982 -10.589 -6.440) 13.357 12.440 ( -7.887 -16.451 -4.522) 18.796 12.888 ( 1.631 -1.481 -0.451) 2.249 14.843 ( -2.040 19.950 12.614) 23.691 15.885 ( 9.437 -8.316 -12.556) 17.772 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 10.396 16.003 11.720) 22.395 2.413 ( 7.557 22.458 8.885) 25.306 3.389 ( 8.227 10.171 -3.098) 13.444 3.724 ( 20.551 17.554 -8.583) 28.358 4.506 ( 14.181 23.483 8.095) 28.602 5.517 ( -3.141 8.815 -7.136) 11.769 6.403 ( -3.075 -2.186 1.512) 4.065 6.544 ( 2.109 -4.442 -1.171) 5.055 7.093 ( -22.363 -1.841 5.829) 23.184 8.349 ( 5.136 -4.762 3.212) 7.706 8.703 ( 3.549 -9.503 4.325) 11.027 9.605 ( -9.803 -3.403 -10.686) 14.896 11.187 ( -7.805 -9.236 0.518) 12.103 11.822 ( -9.591 -10.463 -1.804) 14.308 12.143 ( -4.937 -15.647 -6.114) 17.509 12.911 ( 1.718 0.849 -0.517) 1.985 14.973 ( -5.862 11.991 13.137) 18.728 15.923 ( 9.771 -11.376 -10.014) 18.032 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 14.117 13.359 6.993) 20.655 2.781 ( 6.453 23.035 5.853) 24.627 3.568 ( 5.559 6.822 -4.635) 9.946 4.148 ( 16.613 11.173 -15.941) 25.592 5.016 ( 16.941 17.405 12.424) 27.282 5.523 ( -3.593 8.391 -3.494) 9.774 6.367 ( -0.396 -1.460 4.339) 4.595 6.522 ( 1.170 -6.616 4.797) 8.255 6.828 ( -11.225 0.729 6.656) 13.071 8.373 ( 2.145 -6.202 2.825) 7.145 8.700 ( 2.962 -3.254 -0.913) 4.494 9.284 ( -15.885 -6.319 -13.290) 21.654 10.945 ( -10.774 -7.497 0.655) 13.142 11.550 ( -11.674 -7.183 -0.231) 13.708 11.945 ( -0.075 -12.502 -5.191) 13.538 12.962 ( 1.406 4.699 -0.534) 4.934 14.983 ( -7.733 6.260 9.759) 13.937 15.909 ( 6.896 -14.855 -5.981) 17.436 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 10.434 11.376 6.172) 16.625 3.111 ( 6.384 20.108 -1.694) 21.165 3.703 ( 5.227 6.523 -3.665) 9.127 4.379 ( 5.487 9.552 -19.075) 22.027 5.434 ( 7.869 9.639 10.088) 16.019 5.590 ( 6.953 6.103 5.324) 10.674 6.338 ( -0.340 -7.203 2.499) 7.632 6.495 ( -4.232 -0.636 7.204) 8.379 6.754 ( 1.250 -3.205 5.909) 6.837 8.327 ( -2.140 -2.869 0.983) 3.712 8.684 ( -1.553 -4.741 -9.809) 11.005 8.968 ( -7.897 -2.720 -1.801) 8.544 10.713 ( -8.809 -4.713 0.456) 10.001 11.281 ( -13.136 -4.792 -0.396) 13.988 11.845 ( 1.372 -8.139 -3.912) 9.134 13.046 ( 0.240 9.831 -0.422) 9.843 14.914 ( -7.127 0.737 5.716) 9.166 15.835 ( 4.963 -17.037 -2.948) 17.989 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( -2.480 13.779 2.382) 14.202 3.380 ( 11.756 6.291 -5.703) 14.502 3.879 ( 6.111 12.200 -2.735) 13.917 4.401 ( -7.418 12.531 -17.502) 22.768 5.573 ( 2.380 3.348 6.372) 7.581 5.840 ( 8.525 -0.622 11.157) 14.055 6.249 ( -1.094 -7.809 -3.401) 8.588 6.364 ( -8.358 -3.440 0.778) 9.072 6.813 ( 6.227 -5.554 6.987) 10.883 8.292 ( -1.116 1.877 1.771) 2.811 8.537 ( -2.675 -3.602 -5.998) 7.490 8.951 ( 2.256 0.116 5.187) 5.658 10.581 ( -4.115 0.595 0.393) 4.177 11.016 ( -12.368 -4.192 -0.474) 13.068 11.788 ( 0.653 -4.756 -4.047) 6.279 13.149 ( -2.912 15.173 -0.091) 15.450 14.813 ( -3.549 -4.570 2.434) 6.277 15.737 ( 4.646 -17.546 -1.356) 18.201 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( -7.249 8.448 -2.689) 11.452 3.581 ( 7.800 2.969 -3.421) 9.020 4.068 ( 0.278 11.498 -10.029) 15.260 4.322 ( -10.029 18.983 -8.958) 23.263 5.616 ( -3.557 -0.199 1.172) 3.750 5.797 ( -7.321 -6.550 -2.767) 10.206 6.184 ( 3.222 -6.233 -2.713) 7.522 6.266 ( 1.186 -7.089 8.638) 11.237 6.870 ( 5.400 -7.608 5.264) 10.712 8.313 ( -1.438 3.319 3.092) 4.759 8.555 ( 6.285 1.307 2.896) 7.043 9.024 ( 3.995 0.165 6.075) 7.273 10.594 ( 0.926 7.050 1.051) 7.188 10.792 ( -8.799 -3.791 -0.500) 9.594 11.741 ( 0.298 -3.252 -5.099) 6.055 13.226 ( -7.918 18.218 0.304) 19.867 14.742 ( 2.120 -7.513 0.611) 7.830 15.649 ( 5.564 -16.773 -1.035) 17.702 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( -8.950 4.379 -3.022) 10.412 3.640 ( -6.574 6.892 -6.084) 11.302 3.990 ( -8.947 5.031 -7.772) 12.875 4.444 ( 0.253 20.056 -8.147) 21.649 5.429 ( -10.377 1.916 -11.861) 15.876 5.670 ( -3.949 -5.539 2.559) 7.267 6.152 ( 2.854 -10.764 2.650) 11.447 6.261 ( 1.931 -8.416 8.933) 12.423 6.887 ( 4.587 -9.337 4.687) 11.411 8.338 ( -1.430 5.067 3.196) 6.159 8.701 ( 5.808 0.387 3.207) 6.646 9.153 ( 8.398 1.638 7.304) 11.250 10.655 ( -2.018 -4.571 -0.454) 5.017 10.750 ( 4.041 14.198 2.420) 14.959 11.705 ( 1.709 -3.266 -6.409) 7.393 13.228 ( -11.890 16.421 0.362) 20.277 14.752 ( 6.284 -5.762 0.822) 8.566 15.597 ( 7.385 -15.022 -1.810) 16.837 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( -10.775 2.008 -1.678) 11.088 3.428 ( -23.418 9.910 -7.517) 26.516 3.908 ( -3.425 0.333 -1.488) 3.749 4.573 ( -2.489 15.063 -12.493) 19.728 5.358 ( -0.001 8.452 -4.498) 9.575 5.506 ( -9.521 -5.471 0.579) 10.996 6.074 ( 0.138 -13.506 5.078) 14.430 6.236 ( 2.608 -7.919 6.536) 10.594 6.882 ( 4.569 -10.586 5.205) 12.651 8.380 ( -1.729 6.540 2.089) 7.080 8.744 ( 0.152 -2.599 1.020) 2.796 9.382 ( 12.477 2.452 4.582) 13.516 10.639 ( 4.233 -2.031 0.004) 4.695 11.005 ( 7.033 15.312 3.832) 17.280 11.706 ( 5.793 -3.575 -7.431) 10.078 13.157 ( -12.093 11.210 0.024) 16.490 14.829 ( 5.420 -1.734 3.234) 6.545 15.602 ( 10.024 -11.631 -3.634) 15.779 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( -14.074 0.018 -0.661) 14.089 3.053 ( -27.759 7.514 -2.286) 28.848 3.821 ( -6.382 -1.129 -1.300) 6.610 4.531 ( -12.636 9.149 -11.598) 19.439 5.232 ( -14.820 -4.717 -0.907) 15.579 5.549 ( 6.699 7.947 6.816) 12.429 5.980 ( 3.425 -6.638 1.999) 7.733 6.252 ( 5.415 -6.427 3.575) 9.133 6.875 ( 5.325 -11.724 6.282) 14.328 8.404 ( -3.710 6.151 -0.445) 7.197 8.690 ( -2.667 -2.820 0.078) 3.882 9.610 ( 11.283 0.236 -1.282) 11.358 10.756 ( 9.801 0.795 0.600) 9.852 11.288 ( 9.188 10.508 4.452) 14.651 11.802 ( 11.855 -1.446 -7.638) 14.177 13.056 ( -9.333 6.116 -0.370) 11.165 14.891 ( 0.576 -0.889 6.632) 6.716 15.694 ( 12.392 -5.070 -5.634) 14.526 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 0.000 15.222 17.779) 23.405 2.159 ( 0.000 16.349 8.742) 18.539 3.214 ( 0.000 30.649 -0.954) 30.664 3.307 ( -0.000 11.079 -4.985) 12.149 4.275 ( 0.000 27.465 3.412) 27.676 5.582 ( -0.000 11.629 -8.007) 14.118 6.489 ( -0.000 -1.778 -0.716) 1.917 6.494 ( -0.000 -6.139 -0.815) 6.193 7.645 ( -0.000 -14.662 -10.277) 17.905 8.401 ( 0.000 9.129 1.626) 9.273 8.436 ( 0.000 -19.195 17.711) 26.118 9.741 ( -0.000 1.007 -4.712) 4.819 11.274 ( -0.000 -15.714 -0.955) 15.743 11.988 ( -0.000 -10.007 -5.262) 11.307 12.325 ( -0.000 -19.566 -4.580) 20.095 12.853 ( 0.000 -1.661 0.470) 1.726 15.096 ( 0.000 14.927 16.853) 22.513 15.684 ( -0.000 -5.328 -15.084) 15.997 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 2.735 14.327 10.942) 18.234 2.477 ( 10.067 14.904 10.467) 20.809 3.404 ( 2.016 13.302 -4.816) 14.290 3.584 ( 12.275 18.144 -9.151) 23.741 4.605 ( 6.004 25.486 7.101) 27.130 5.669 ( -2.999 15.049 -5.652) 16.353 6.417 ( 0.177 -9.822 1.813) 9.989 6.450 ( -0.788 -4.176 1.261) 4.432 7.366 ( -12.166 -9.995 -2.710) 15.977 8.291 ( -1.886 -3.709 6.632) 7.829 8.574 ( 5.253 0.759 2.533) 5.881 9.677 ( -5.686 -2.309 -8.065) 10.134 11.123 ( 0.681 -14.682 -0.761) 14.717 11.842 ( -4.520 -9.179 -2.321) 10.491 12.045 ( -6.098 -19.972 -4.973) 21.466 12.872 ( 3.055 -0.149 0.188) 3.064 15.223 ( -3.976 6.647 17.158) 18.825 15.651 ( 5.465 -4.247 -13.629) 15.285 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 8.937 12.985 7.506) 17.459 2.855 ( 12.342 16.608 8.157) 22.242 3.536 ( 2.926 7.980 -7.025) 11.027 3.933 ( 15.860 11.644 -12.222) 23.162 5.004 ( 10.273 20.672 9.480) 24.955 5.719 ( -6.713 14.764 -3.896) 16.680 6.324 ( 1.768 -14.639 4.656) 15.463 6.428 ( 1.606 -2.632 6.553) 7.243 7.085 ( -13.415 -2.711 3.674) 14.170 8.296 ( 2.461 -0.881 0.672) 2.699 8.631 ( 1.145 0.241 -0.765) 1.398 9.431 ( -13.663 -6.018 -12.687) 19.592 10.983 ( -3.379 -11.375 0.475) 11.876 11.654 ( -7.644 -6.423 0.095) 9.985 11.777 ( -0.369 -17.204 -4.580) 17.807 12.950 ( 4.300 3.438 -0.449) 5.524 15.224 ( -7.197 2.839 13.021) 15.146 15.636 ( 4.385 -9.401 -8.835) 13.626 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 11.496 10.186 4.563) 16.023 3.245 ( 7.784 20.301 4.391) 22.181 3.621 ( 5.732 2.725 -7.716) 9.991 4.257 ( 13.992 10.498 -11.974) 21.198 5.390 ( 11.193 12.656 9.549) 19.407 5.712 ( -7.653 11.611 -1.039) 13.945 6.224 ( 2.681 -17.299 6.647) 18.725 6.497 ( 3.841 -0.691 9.751) 10.503 6.876 ( -11.744 -0.343 5.220) 12.856 8.333 ( 1.065 2.108 -2.415) 3.378 8.616 ( -0.743 -2.930 -5.962) 6.685 9.084 ( -12.702 -5.399 -10.006) 17.047 10.790 ( -7.187 -8.213 1.785) 11.058 11.444 ( -10.134 -5.301 -2.893) 11.797 11.689 ( 5.237 -9.533 -0.465) 10.887 13.083 ( 5.037 8.161 -0.813) 9.624 15.125 ( -11.166 1.112 8.694) 14.195 15.556 ( 4.199 -16.255 -5.105) 17.547 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 11.880 7.289 2.347) 14.134 3.428 ( -4.279 11.218 -4.265) 12.742 3.836 ( 12.701 11.931 -2.564) 17.614 4.508 ( 5.692 13.772 -11.642) 18.910 5.635 ( 0.448 4.885 6.409) 8.071 5.731 ( 3.652 3.694 5.503) 7.567 6.129 ( 2.741 -14.981 4.664) 15.928 6.523 ( -6.739 -0.932 3.509) 7.655 6.729 ( -3.046 -4.244 7.525) 9.161 8.354 ( -1.869 5.288 -1.639) 5.843 8.503 ( -1.783 -4.680 -10.808) 11.912 8.921 ( -0.736 -2.470 -0.257) 2.590 10.637 ( -4.504 -3.164 3.324) 6.430 11.199 ( -11.277 -4.551 -3.393) 12.625 11.706 ( 3.211 -3.281 -0.691) 4.642 13.273 ( 4.825 13.684 -0.747) 14.529 14.935 ( -12.831 -2.150 4.674) 13.824 15.443 ( 5.713 -20.562 -2.460) 21.483 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( -5.472 4.351 -6.751) 9.718 3.460 ( 9.813 5.686 2.255) 11.564 4.148 ( 5.754 18.232 -5.681) 19.945 4.629 ( -5.347 18.650 -9.835) 21.752 5.645 ( -1.176 -0.689 6.000) 6.152 5.802 ( 0.051 -7.533 3.834) 8.453 6.063 ( 2.742 -8.317 -3.401) 9.394 6.310 ( -11.473 -3.792 4.576) 12.921 6.722 ( 3.996 -8.535 7.275) 11.906 8.366 ( -0.602 2.868 0.108) 2.933 8.497 ( 4.087 4.094 -2.909) 6.475 8.932 ( 4.439 -4.023 0.747) 6.037 10.596 ( -1.002 -0.531 5.339) 5.458 10.980 ( -9.072 0.299 -3.774) 9.831 11.707 ( -0.423 -0.743 -2.118) 2.284 13.487 ( 0.495 19.255 -0.177) 19.262 14.711 ( -8.269 -6.823 1.663) 10.848 15.341 ( 7.486 -21.641 -1.075) 22.924 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( -7.286 2.832 -3.892) 8.732 3.663 ( 7.418 4.559 -0.221) 8.710 4.256 ( -11.310 15.949 -11.262) 22.564 4.689 ( -5.773 21.787 -5.912) 23.302 5.591 ( -9.283 0.036 -6.473) 11.317 5.660 ( -1.489 -6.382 2.203) 6.914 6.013 ( 2.276 -10.416 0.043) 10.662 6.189 ( -0.816 -7.977 12.503) 14.854 6.723 ( 4.611 -10.689 5.757) 12.987 8.404 ( 0.514 4.877 -0.126) 4.905 8.636 ( 5.223 3.991 2.433) 7.009 8.997 ( 8.811 -4.311 -0.428) 9.818 10.562 ( -1.426 -6.825 4.358) 8.222 10.950 ( -0.567 13.409 -1.196) 13.474 11.662 ( -2.437 -1.412 -3.580) 4.555 13.607 ( -10.509 19.411 0.417) 22.077 14.595 ( 3.597 -6.575 0.360) 7.503 15.273 ( 9.424 -20.486 -0.820) 22.565 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( -9.042 2.342 -1.409) 9.446 3.787 ( 0.479 6.408 -1.388) 6.574 4.043 ( -20.820 7.915 -9.169) 24.088 4.786 ( -5.806 20.042 -8.937) 22.700 5.457 ( -4.286 7.661 -7.080) 11.278 5.584 ( -4.355 -5.323 3.991) 7.952 5.934 ( 1.735 -14.007 3.917) 14.648 6.158 ( 1.040 -7.842 11.930) 14.314 6.713 ( 4.741 -11.027 5.169) 13.068 8.469 ( -0.092 7.200 -0.037) 7.201 8.706 ( 1.436 -2.377 0.679) 2.859 9.160 ( 13.659 -1.926 -2.415) 14.004 10.503 ( 2.789 -6.998 2.535) 7.949 11.154 ( 3.656 19.065 2.311) 19.550 11.583 ( -0.882 -5.042 -4.876) 7.069 13.510 ( -16.686 10.487 -0.032) 19.708 14.703 ( 9.524 1.213 1.920) 9.791 15.266 ( 12.163 -16.375 -1.633) 20.463 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( -11.707 2.174 0.517) 11.918 3.619 ( -29.347 9.362 -2.814) 30.932 3.858 ( -0.518 -1.946 -3.791) 4.293 4.794 ( -9.618 14.856 -11.931) 21.344 5.418 ( -10.917 -4.210 2.777) 12.026 5.561 ( 4.427 9.616 4.534) 11.516 5.846 ( 3.005 -9.855 1.904) 10.478 6.156 ( 1.859 -5.130 10.442) 11.782 6.707 ( 4.570 -9.712 4.837) 11.773 8.518 ( -2.733 6.034 -1.100) 6.715 8.675 ( 0.065 -3.975 -0.714) 4.039 9.356 ( 13.906 -3.940 -7.514) 16.290 10.563 ( 9.323 -3.293 2.137) 10.116 11.385 ( -1.603 13.707 5.535) 14.869 11.557 ( 10.447 -4.617 -7.157) 13.479 13.304 ( -14.431 3.675 -0.633) 14.905 14.859 ( 4.778 0.124 4.691) 6.697 15.387 ( 15.926 -4.916 -2.766) 16.895 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 0.000 11.621 5.066) 12.677 2.520 ( 0.000 11.146 14.531) 18.313 3.492 ( -0.000 10.519 -4.029) 11.264 3.618 ( -0.000 15.618 -12.703) 20.132 4.833 ( 0.000 25.568 7.523) 26.652 5.849 ( 0.000 18.601 -3.836) 18.993 6.271 ( 0.000 -18.971 7.053) 20.240 6.441 ( -0.000 -2.313 -0.944) 2.499 7.314 ( -0.000 -11.677 -7.164) 13.699 8.305 ( 0.000 -3.157 5.653) 6.475 8.611 ( 0.000 10.092 2.966) 10.519 9.683 ( -0.000 -2.743 -7.117) 7.627 10.938 ( -0.000 -16.851 -1.987) 16.967 11.778 ( -0.000 -8.773 -5.576) 10.395 11.895 ( -0.000 -20.611 -0.626) 20.620 12.830 ( 0.000 -1.192 0.916) 1.504 15.279 ( 0.000 -7.193 8.218) 10.921 15.624 ( -0.000 8.710 -4.220) 9.678 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 4.033 11.098 6.539) 13.497 2.778 ( 12.040 9.247 9.777) 18.057 3.581 ( -0.030 9.023 -6.317) 11.014 3.773 ( 9.681 8.944 -11.173) 17.279 5.132 ( 3.668 22.488 7.320) 23.932 5.974 ( -5.013 15.945 -1.727) 16.803 6.113 ( 2.018 -21.714 9.121) 23.638 6.421 ( 0.655 -0.774 1.398) 1.728 7.171 ( -3.211 -7.015 -4.017) 8.698 8.302 ( -0.935 2.775 1.141) 3.143 8.688 ( -2.782 7.137 1.489) 7.803 9.536 ( -9.637 -5.381 -10.315) 15.107 10.830 ( 5.347 -13.866 -1.203) 14.910 11.604 ( -2.756 -16.964 -9.719) 19.744 11.698 ( -4.469 -9.190 6.178) 11.942 12.881 ( 5.875 0.777 0.425) 5.941 15.227 ( 1.940 -9.832 2.106) 10.240 15.659 ( -5.727 6.321 2.028) 8.768 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 7.673 9.505 5.385) 13.350 3.170 ( 19.267 10.303 6.887) 22.909 3.604 ( -2.067 5.113 -8.678) 10.282 4.049 ( 16.243 7.611 -7.123) 19.300 5.420 ( 4.953 15.590 6.013) 17.428 5.963 ( 1.729 -14.813 10.515) 18.248 6.002 ( -6.345 4.375 -0.536) 7.726 6.473 ( 2.897 1.492 5.108) 6.059 7.038 ( -6.329 -2.893 -0.447) 6.973 8.337 ( 0.484 5.327 -2.289) 5.818 8.664 ( -5.995 3.125 -1.997) 7.049 9.218 ( -14.207 -6.391 -11.674) 19.467 10.778 ( 0.354 -8.970 0.043) 8.977 11.395 ( 0.878 -15.493 -7.330) 17.162 11.591 ( -1.835 -4.374 5.921) 7.587 13.036 ( 8.520 5.443 -0.264) 10.114 15.158 ( 1.885 -12.302 0.996) 12.486 15.554 ( -11.976 1.519 2.618) 12.353 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( 9.428 6.876 3.444) 12.167 3.566 ( -3.994 4.246 -6.232) 8.534 3.652 ( 21.501 11.834 2.967) 24.721 4.392 ( 16.468 8.821 -5.402) 19.447 5.621 ( 4.229 4.444 5.244) 8.071 5.895 ( 4.583 -15.847 9.501) 19.036 5.928 ( -8.999 6.791 0.518) 11.286 6.541 ( 1.573 -0.845 4.739) 5.064 6.882 ( -10.407 -1.290 1.593) 10.607 8.399 ( 1.607 5.415 -4.284) 7.089 8.525 ( -8.997 -0.136 -7.576) 11.762 8.950 ( -6.995 -3.318 -4.261) 8.837 10.689 ( -2.932 -2.908 2.612) 4.887 11.223 ( -3.233 -12.342 -6.801) 14.458 11.617 ( 4.946 -1.356 4.290) 6.686 13.269 ( 9.545 11.182 -0.634) 14.715 15.054 ( 0.479 -14.043 1.330) 14.114 15.315 ( -14.796 -4.249 1.245) 15.444 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 9.582 4.571 0.495) 10.628 3.508 ( -4.152 2.569 -3.624) 6.080 4.127 ( 16.595 15.863 0.543) 22.964 4.715 ( 10.823 12.230 -5.215) 17.143 5.677 ( 1.183 -5.525 6.153) 8.353 5.802 ( -7.912 0.073 0.929) 7.967 5.898 ( 4.140 -8.864 4.493) 10.766 6.494 ( -7.629 -2.830 -1.274) 8.236 6.687 ( -7.925 -4.067 4.531) 9.994 8.378 ( -1.118 -0.924 -5.679) 5.861 8.500 ( 1.419 9.119 -1.592) 9.366 8.853 ( -0.763 -3.972 -1.056) 4.180 10.665 ( -2.280 2.672 6.630) 7.503 11.017 ( -3.957 -9.425 -7.644) 12.764 11.702 ( 2.818 1.061 1.647) 3.432 13.570 ( 9.690 16.972 -0.584) 19.552 14.887 ( -10.970 -6.920 2.492) 13.207 15.030 ( -2.741 -17.880 -1.139) 18.125 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( -4.731 3.598 -3.183) 6.742 3.546 ( 8.528 1.677 0.508) 8.707 4.480 ( 4.179 17.615 -3.927) 18.525 4.937 ( 0.368 17.069 -5.441) 17.919 5.618 ( -2.545 -5.565 5.881) 8.487 5.677 ( -4.006 -4.893 -0.987) 6.400 5.864 ( 2.103 -10.885 -1.111) 11.142 6.272 ( -10.971 -3.007 3.922) 12.033 6.594 ( 0.478 -8.115 4.445) 9.265 8.404 ( 3.380 3.325 -2.464) 5.343 8.628 ( 2.738 6.826 2.567) 7.790 8.822 ( 4.114 -5.269 -3.175) 7.400 10.614 ( -7.522 -3.730 6.803) 10.806 10.961 ( 5.717 2.937 -6.151) 8.896 11.722 ( -2.728 1.709 0.186) 3.224 13.891 ( 3.303 21.658 0.002) 21.908 14.591 ( -12.420 -5.646 0.530) 13.653 14.895 ( 8.819 -22.806 -0.352) 24.455 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( -7.540 3.626 0.284) 8.371 3.699 ( 8.093 0.054 -2.932) 8.608 4.502 ( -17.778 13.605 -6.729) 23.376 5.054 ( -4.708 18.745 -5.596) 20.121 5.566 ( -2.998 0.307 -3.793) 4.844 5.572 ( -0.575 -5.205 6.144) 8.073 5.766 ( 2.160 -13.179 -1.750) 13.469 6.159 ( -2.898 -3.050 12.985) 13.650 6.556 ( 3.326 -8.902 3.041) 9.978 8.508 ( 3.570 6.393 -1.813) 7.543 8.662 ( -0.305 -4.208 0.414) 4.239 8.920 ( 10.307 -0.097 -3.710) 10.955 10.469 ( -4.089 -5.436 3.974) 7.878 11.144 ( 9.822 6.718 -3.541) 12.415 11.649 ( -6.979 0.956 0.705) 7.079 13.914 ( -19.172 8.986 -0.068) 21.174 14.572 ( 9.748 5.993 0.770) 11.469 14.871 ( 13.320 -18.584 -0.380) 22.868 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( -9.764 3.577 2.478) 10.689 3.781 ( 4.040 -3.005 -5.943) 7.790 4.182 ( -27.242 7.681 -2.763) 28.438 5.063 ( -10.045 12.804 -9.804) 18.999 5.504 ( -2.916 -7.905 5.866) 10.266 5.578 ( 2.472 0.711 3.579) 4.407 5.730 ( 3.754 0.419 -1.265) 3.983 6.166 ( -0.960 -0.219 15.069) 15.101 6.558 ( 5.011 -6.466 1.769) 8.369 8.583 ( -1.881 -5.752 -2.294) 6.472 8.625 ( 2.977 5.528 -1.065) 6.368 9.063 ( 10.646 -4.387 -8.473) 14.296 10.441 ( 3.505 -1.230 3.453) 5.071 11.319 ( 8.321 -6.203 -5.883) 11.930 11.570 ( -4.351 8.103 4.161) 10.095 13.606 ( -19.038 -0.154 -0.737) 19.053 14.761 ( 6.934 -3.509 2.403) 8.134 15.069 ( 18.804 4.159 -0.520) 19.266 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 0.000 7.567 3.333) 8.268 2.797 ( 0.000 7.953 12.725) 15.006 3.652 ( -0.000 8.307 -3.348) 8.957 3.714 ( -0.000 4.836 -12.009) 12.946 5.339 ( 0.000 20.277 5.274) 20.951 5.869 ( 0.000 -27.128 15.773) 31.381 6.212 ( 0.000 18.914 -4.897) 19.537 6.395 ( -0.000 -1.854 -0.286) 1.876 7.107 ( -0.000 -5.354 -5.401) 7.605 8.353 ( 0.000 5.428 -1.247) 5.570 8.808 ( 0.000 7.657 2.165) 7.958 9.549 ( -0.000 -4.739 -9.344) 10.477 10.617 ( -0.000 -14.127 -1.554) 14.212 11.436 ( -0.000 -16.575 -9.019) 18.869 11.678 ( 0.000 -7.568 6.724) 10.124 12.817 ( 0.000 -0.748 0.750) 1.060 15.121 ( -0.000 -7.954 -1.946) 8.188 15.791 ( 0.000 5.115 5.798) 7.732 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 6.729 7.329 3.630) 10.591 2.986 ( 10.732 5.425 10.519) 15.977 3.668 ( -2.183 4.650 -6.627) 8.385 3.845 ( 11.656 5.196 -5.001) 13.707 5.523 ( 1.551 7.267 4.340) 8.605 5.707 ( 3.372 -18.946 15.516) 24.720 6.262 ( -7.838 10.575 -3.349) 13.583 6.451 ( 3.678 4.383 0.028) 5.722 7.047 ( -0.705 -2.854 -3.765) 4.777 8.399 ( -0.747 6.946 -2.967) 7.590 8.822 ( -6.322 5.192 0.382) 8.190 9.352 ( -12.098 -5.243 -10.493) 16.851 10.588 ( 9.370 -9.714 -1.157) 13.546 11.227 ( -2.239 -14.736 -6.303) 16.183 11.610 ( -2.565 -5.069 6.421) 8.574 12.904 ( 9.600 1.252 0.328) 9.687 15.037 ( -0.588 -8.065 -2.168) 8.372 15.778 ( -8.215 2.298 5.423) 10.109 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 6.778 5.429 4.686) 9.868 3.347 ( 21.066 4.437 3.853) 21.870 3.659 ( -1.280 4.913 -1.853) 5.404 4.140 ( 18.061 5.062 -2.648) 18.943 5.523 ( 5.965 -18.653 12.072) 23.005 5.752 ( 1.873 4.108 4.761) 6.561 6.196 ( -9.578 7.985 -2.393) 12.697 6.528 ( 1.002 1.835 0.087) 2.093 6.986 ( -3.713 -1.132 -1.902) 4.322 8.441 ( -0.999 6.124 -3.738) 7.244 8.697 ( -11.326 2.585 -5.276) 12.759 9.064 ( -11.538 -2.667 -4.868) 12.804 10.658 ( 5.200 -2.778 -0.548) 5.921 11.066 ( 1.491 -13.414 -5.170) 14.453 11.566 ( 0.433 -2.717 5.881) 6.493 13.148 ( 14.491 5.700 -0.118) 15.572 14.916 ( -2.241 -10.499 -1.533) 10.845 15.599 ( -15.668 -0.097 3.880) 16.142 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 8.080 2.709 3.149) 9.085 3.565 ( -0.053 2.845 -4.271) 5.132 3.912 ( 21.895 8.023 7.094) 24.374 4.513 ( 19.804 5.703 -1.126) 20.640 5.513 ( 8.225 -15.711 11.497) 21.134 5.799 ( -0.722 0.564 0.112) 0.922 6.064 ( -12.765 4.927 -2.062) 13.837 6.513 ( -1.741 -2.681 -2.460) 4.034 6.858 ( -10.181 -1.077 -1.437) 10.338 8.405 ( -4.920 0.430 -4.364) 6.590 8.592 ( -2.456 8.848 -4.529) 10.239 8.888 ( -7.099 -1.946 1.044) 7.435 10.724 ( 2.345 4.791 2.251) 5.789 10.929 ( -1.653 -12.598 -5.399) 13.806 11.624 ( 6.034 -1.330 3.347) 7.027 13.490 ( 16.257 10.711 -0.376) 19.472 14.754 ( -2.101 -13.510 -0.758) 13.693 15.285 ( -21.054 -1.903 2.126) 21.246 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( 8.754 0.566 0.395) 8.781 3.549 ( -3.879 3.928 -0.197) 5.524 4.388 ( 20.667 7.630 4.375) 22.461 4.890 ( 16.666 7.353 -0.389) 18.220 5.564 ( 7.083 -8.034 7.152) 12.879 5.726 ( -5.506 -3.608 -3.752) 7.577 5.851 ( -12.884 -2.283 0.426) 13.092 6.403 ( -5.800 -3.347 -6.624) 9.420 6.636 ( -11.180 -2.997 0.623) 11.592 8.380 ( 1.396 3.366 -0.580) 3.689 8.682 ( 2.277 9.314 -0.939) 9.634 8.762 ( -4.709 -4.486 0.908) 6.567 10.721 ( -7.265 -9.375 -0.299) 11.864 10.868 ( 5.669 7.572 -0.365) 9.466 11.718 ( 4.304 -1.009 0.618) 4.464 13.895 ( 16.818 14.109 -0.378) 21.956 14.598 ( 0.919 -14.842 -0.091) 14.871 14.884 ( -23.291 -2.747 0.650) 23.461 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( -2.306 3.011 0.735) 3.863 3.546 ( 5.038 0.081 -0.806) 5.102 4.715 ( 6.230 5.220 0.889) 8.176 5.190 ( 7.777 10.477 -1.149) 13.098 5.552 ( -7.151 -5.515 3.161) 9.567 5.594 ( -4.929 -4.993 -2.682) 7.511 5.641 ( 1.398 -5.472 -0.492) 5.669 6.258 ( -5.377 0.796 -0.580) 5.466 6.478 ( -3.059 -5.589 1.016) 6.452 8.478 ( 3.973 4.550 -0.022) 6.040 8.648 ( -2.847 -4.817 0.023) 5.595 8.818 ( 4.321 5.570 -0.092) 7.050 10.516 ( -6.014 -6.938 0.015) 9.181 11.049 ( 5.978 6.728 -0.013) 9.000 11.731 ( -1.326 -1.320 0.010) 1.871 14.227 ( 0.167 0.222 -0.000) 0.278 14.526 ( 3.274 4.155 0.059) 5.290 14.551 ( -3.786 -4.745 -0.058) 6.071 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( -7.795 3.309 3.987) 9.360 3.639 ( 6.576 -2.362 -5.353) 8.802 4.622 ( -18.045 0.377 -2.082) 18.169 5.266 ( -8.697 -6.035 -5.151) 11.773 5.400 ( 3.289 -2.823 4.448) 6.210 5.550 ( 2.868 0.250 1.324) 3.169 5.710 ( 4.126 6.951 -0.480) 8.097 6.266 ( -1.331 5.419 11.411) 12.703 6.424 ( 3.811 -4.427 -3.559) 6.841 8.493 ( -0.262 -7.423 -2.340) 7.787 8.657 ( 2.560 6.819 -0.421) 7.296 8.899 ( 2.826 -1.765 -2.844) 4.380 10.423 ( -0.238 -0.428 1.927) 1.988 11.146 ( 2.999 -4.387 -2.624) 5.927 11.689 ( -2.273 2.034 1.511) 3.404 13.904 ( -19.156 -9.454 -0.456) 21.367 14.564 ( 8.192 -6.138 0.478) 10.248 14.892 ( 15.585 19.199 0.428) 24.732 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 0.000 3.812 2.555) 4.589 3.009 ( 0.000 4.526 13.471) 14.211 3.708 ( -0.000 1.995 -5.670) 6.011 3.768 ( -0.000 5.639 -2.726) 6.263 5.404 ( 0.000 -23.820 14.795) 28.041 5.724 ( 0.000 9.811 3.762) 10.508 6.366 ( 0.000 -1.123 0.500) 1.229 6.501 ( -0.000 13.432 -5.742) 14.608 7.020 ( -0.000 -0.953 -2.969) 3.119 8.459 ( -0.000 6.555 -4.811) 8.131 8.928 ( 0.000 3.818 0.149) 3.821 9.397 ( -0.000 -2.976 -10.649) 11.057 10.384 ( -0.000 -8.804 -0.204) 8.806 11.110 ( -0.000 -10.918 -5.795) 12.361 11.609 ( 0.000 -4.635 7.326) 8.670 12.811 ( 0.000 -0.346 0.373) 0.508 14.983 ( -0.000 -4.455 -2.141) 4.943 15.882 ( 0.000 0.572 4.871) 4.905 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 9.446 2.615 1.519) 9.918 3.140 ( 7.858 1.846 13.046) 15.341 3.711 ( -0.745 3.555 -1.108) 3.798 3.912 ( 11.750 3.913 -2.018) 12.548 5.268 ( 4.491 -21.094 15.283) 26.433 5.815 ( -0.160 6.402 0.466) 6.421 6.339 ( -2.777 0.709 -0.157) 2.870 6.572 ( -2.046 7.213 -5.619) 9.369 7.006 ( -0.662 0.241 -1.625) 1.771 8.494 ( -0.471 4.845 -6.021) 7.743 8.882 ( -8.385 1.941 -3.024) 9.123 9.233 ( -10.864 -0.039 -6.427) 12.623 10.445 ( 12.902 -4.088 -0.782) 13.557 10.965 ( -3.646 -8.036 -4.226) 9.784 11.576 ( -1.726 -3.226 7.100) 7.987 12.929 ( 12.996 0.929 0.099) 13.030 14.906 ( -3.980 -3.746 -1.422) 5.647 15.819 ( -8.759 -0.921 3.420) 9.448 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 6.880 0.039 2.901) 7.467 3.436 ( 18.159 1.945 5.533) 19.082 3.758 ( 3.068 3.387 5.163) 6.895 4.214 ( 19.176 3.642 0.162) 19.520 5.253 ( 8.532 -14.662 13.573) 21.725 5.836 ( -1.679 1.303 -2.140) 3.016 6.266 ( -7.206 1.180 -2.490) 7.715 6.533 ( -4.356 0.506 -5.959) 7.399 6.969 ( -4.449 0.227 -1.515) 4.706 8.476 ( -3.335 0.876 -6.514) 7.370 8.727 ( -7.728 4.715 -5.478) 10.581 9.058 ( -10.796 2.549 2.519) 11.375 10.665 ( 12.463 3.230 -0.300) 12.878 10.818 ( -2.852 -7.688 -4.610) 9.407 11.558 ( 0.680 -2.222 5.813) 6.261 13.234 ( 19.921 2.614 -0.204) 20.093 14.764 ( -7.673 -3.661 -0.662) 8.527 15.599 ( -16.413 -1.767 1.847) 16.611 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 7.699 -2.171 1.564) 8.151 3.642 ( 0.306 5.588 1.399) 5.768 4.032 ( 23.839 -1.987 9.328) 25.676 4.606 ( 21.515 3.682 2.394) 21.959 5.353 ( 10.580 -7.187 10.400) 16.485 5.767 ( -4.078 -2.522 -4.761) 6.757 6.082 ( -13.514 -1.005 -3.914) 14.106 6.415 ( -4.447 -3.257 -8.505) 10.135 6.819 ( -11.505 -1.188 -3.506) 12.086 8.415 ( -1.244 2.635 -1.752) 3.400 8.708 ( -0.486 3.925 -3.315) 5.161 8.919 ( -10.584 4.058 5.926) 12.791 10.673 ( -3.171 -8.366 -5.919) 10.728 10.904 ( 6.724 10.520 3.284) 12.910 11.600 ( 5.268 -3.012 2.169) 6.444 13.615 ( 22.010 0.490 -0.323) 22.017 14.601 ( -7.693 -0.081 -0.249) 7.697 15.258 ( -21.778 -1.601 0.624) 21.845 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 8.460 -3.573 -1.268) 9.271 3.661 ( -4.500 5.443 4.209) 8.221 4.433 ( 23.009 -7.730 6.515) 25.131 5.003 ( 19.228 3.002 4.450) 19.964 5.513 ( 8.121 -0.960 5.097) 9.636 5.641 ( -4.859 -1.920 -6.468) 8.314 5.772 ( -17.293 -4.451 -2.153) 17.986 6.287 ( -2.419 -1.971 -11.807) 12.213 6.582 ( -11.680 -1.737 -2.007) 11.978 8.487 ( 3.081 6.318 2.321) 7.402 8.662 ( -4.430 -4.388 0.380) 6.247 8.878 ( -3.311 7.857 4.209) 9.509 10.515 ( -3.835 -6.588 -4.959) 9.094 11.100 ( 1.038 11.345 5.172) 12.512 11.661 ( 5.225 -4.346 -1.502) 6.960 13.912 ( 17.144 -12.630 0.245) 21.296 14.580 ( 0.338 12.673 -0.820) 12.704 14.868 ( -22.578 1.840 0.127) 22.653 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 0.000 0.244 1.959) 1.974 3.139 ( 0.000 -1.820 14.922) 15.033 3.760 ( 0.000 5.352 2.173) 5.776 3.836 ( -0.000 2.913 -2.015) 3.542 5.095 ( 0.000 -16.214 14.858) 21.993 5.860 ( -0.000 2.403 -1.514) 2.840 6.357 ( 0.000 -0.401 0.993) 1.071 6.640 ( -0.000 5.165 -7.528) 9.129 7.014 ( -0.000 1.163 -0.558) 1.290 8.510 ( -0.000 2.520 -7.857) 8.251 8.965 ( -0.000 0.633 -1.590) 1.712 9.323 ( -0.000 3.098 -9.929) 10.401 10.274 ( 0.000 -2.681 0.951) 2.845 10.945 ( -0.000 -2.665 -3.165) 4.137 11.590 ( 0.000 -2.592 7.800) 8.220 12.807 ( -0.000 -0.211 0.049) 0.217 14.922 ( -0.000 -0.752 -0.852) 1.136 15.890 ( 0.000 -1.876 2.362) 3.016 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 9.387 -1.465 0.442) 9.511 3.210 ( 8.317 -4.707 14.159) 17.082 3.810 ( -1.126 4.622 4.076) 6.265 3.978 ( 12.333 3.946 1.609) 13.049 5.061 ( 5.128 -9.152 12.944) 16.661 5.845 ( -0.892 -2.392 -3.293) 4.166 6.336 ( -2.734 -0.463 -0.258) 2.785 6.603 ( -4.448 0.408 -8.025) 9.184 7.019 ( -1.280 1.304 -0.136) 1.832 8.487 ( -1.006 -0.061 -8.685) 8.743 8.880 ( -7.849 0.673 -4.009) 8.839 9.266 ( -7.440 6.050 -3.078) 10.072 10.413 ( 15.076 0.943 -0.069) 15.105 10.868 ( -6.293 0.926 -3.153) 7.099 11.580 ( -1.730 -1.358 7.650) 7.960 12.937 ( 14.460 -0.143 -0.115) 14.461 14.872 ( -5.505 0.699 -0.418) 5.565 15.800 ( -8.785 -2.286 1.338) 9.175 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 6.976 -4.204 1.309) 8.250 3.472 ( 21.384 -4.316 8.318) 23.347 3.849 ( 0.328 1.557 6.382) 6.578 4.302 ( 18.923 4.000 5.178) 20.023 5.171 ( 9.162 -1.690 9.939) 13.623 5.762 ( -2.051 -6.267 -5.005) 8.278 6.230 ( -8.090 -2.233 -3.711) 9.176 6.456 ( -6.991 -3.295 -8.721) 11.653 6.960 ( -7.030 0.023 -2.390) 7.426 8.431 ( -0.725 -0.190 -5.819) 5.867 8.770 ( -4.414 1.824 -2.862) 5.568 9.184 ( -10.304 7.746 3.898) 13.467 10.647 ( 2.522 -3.440 0.156) 4.268 10.836 ( 7.519 11.103 -5.145) 14.362 11.564 ( -1.563 -1.021 6.509) 6.772 13.235 ( 20.237 -2.331 -0.214) 20.372 14.767 ( -8.114 3.896 -0.594) 9.021 15.569 ( -16.153 -1.740 0.780) 16.266 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 7.600 -5.715 0.213) 9.511 3.763 ( 4.907 3.691 3.202) 6.925 3.950 ( 18.593 -12.270 8.741) 23.931 4.700 ( 20.772 2.448 7.812) 22.327 5.385 ( 10.365 4.398 6.021) 12.768 5.638 ( -1.988 -6.872 -5.995) 9.333 5.983 ( -14.232 -5.486 -5.107) 16.085 6.280 ( -5.172 -3.184 -11.607) 13.100 6.765 ( -12.353 -1.368 -4.862) 13.345 8.470 ( 4.739 3.287 -0.299) 5.775 8.710 ( -3.878 -1.445 0.122) 4.140 9.110 ( -10.198 9.539 7.052) 15.643 10.536 ( -6.179 -1.678 -3.887) 7.490 11.166 ( 10.861 14.174 0.433) 17.862 11.543 ( -0.101 -3.988 2.608) 4.766 13.508 ( 17.197 -9.592 0.244) 19.692 14.723 ( -3.583 10.402 -1.958) 11.175 15.253 ( -19.966 1.572 0.981) 20.051 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 0.000 -3.270 1.219) 3.489 3.129 ( 0.000 -8.994 13.821) 16.490 3.854 ( -0.000 0.101 -1.273) 1.277 3.951 ( 0.000 8.960 10.527) 13.824 5.002 ( 0.000 -1.955 10.904) 11.078 5.793 ( -0.000 -7.211 -4.191) 8.340 6.365 ( 0.000 0.497 1.313) 1.404 6.601 ( -0.000 -3.346 -8.717) 9.337 7.045 ( 0.000 1.897 0.545) 1.973 8.458 ( -0.000 -1.132 -9.458) 9.525 8.935 ( -0.000 -2.228 -2.650) 3.462 9.379 ( -0.000 8.510 -8.621) 12.114 10.293 ( 0.000 3.712 1.584) 4.036 10.959 ( -0.000 5.621 -1.855) 5.919 11.619 ( 0.000 0.173 8.514) 8.516 12.802 ( -0.000 -0.267 -0.138) 0.300 14.932 ( -0.000 1.870 -0.514) 1.939 15.856 ( 0.000 -2.387 1.140) 2.645 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 8.513 -5.089 -0.167) 9.919 3.143 ( 9.897 -11.318 12.402) 19.490 3.870 ( 1.772 -0.643 0.905) 2.091 4.142 ( 8.276 7.289 12.052) 16.336 5.095 ( 5.071 5.149 7.827) 10.653 5.680 ( -0.557 -11.414 -4.874) 12.424 6.324 ( -5.914 -0.606 -0.649) 5.980 6.483 ( -4.203 -6.320 -8.703) 11.547 7.047 ( -3.007 1.666 -0.504) 3.474 8.405 ( -0.373 -1.766 -8.068) 8.267 8.846 ( -4.767 -2.057 -2.873) 5.933 9.403 ( -4.689 9.643 -3.467) 11.269 10.476 ( 12.883 5.290 0.567) 13.938 10.954 ( -6.779 9.567 -3.127) 12.135 11.637 ( -2.501 1.940 8.608) 9.171 12.922 ( 13.396 -1.112 -0.154) 13.443 14.910 ( -4.486 3.078 -1.400) 5.618 15.767 ( -8.501 -1.554 1.608) 8.790 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 6.855 -7.780 0.755) 10.397 3.353 ( 23.117 -13.189 6.726) 27.451 3.884 ( -0.034 -1.816 3.345) 3.806 4.445 ( 15.631 3.697 12.237) 20.192 5.311 ( 8.396 10.429 3.737) 13.900 5.535 ( 0.167 -12.997 -4.609) 13.791 6.127 ( -11.854 -5.986 -4.827) 14.130 6.313 ( -6.089 -3.736 -8.156) 10.842 6.932 ( -10.340 -0.657 -4.441) 11.272 8.404 ( 4.250 0.418 -2.625) 5.013 8.754 ( -3.195 -2.043 -0.866) 3.890 9.392 ( -7.996 10.551 2.599) 13.491 10.640 ( -2.816 2.979 -0.203) 4.105 11.055 ( 10.429 14.059 -5.619) 18.384 11.626 ( -5.376 2.861 8.069) 10.109 13.156 ( 15.607 -5.089 0.112) 16.416 14.864 ( -4.109 5.711 -3.422) 7.824 15.569 ( -14.631 1.533 2.721) 14.961 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -0.000 -7.103 0.209) 7.106 2.984 ( 0.000 -14.363 11.145) 18.180 3.821 ( -0.000 -2.858 -0.607) 2.922 4.203 ( 0.000 6.145 15.315) 16.502 5.156 ( 0.000 11.420 4.573) 12.302 5.533 ( -0.000 -15.664 -4.023) 16.173 6.395 ( 0.000 1.508 1.569) 2.176 6.401 ( -0.000 -10.310 -9.190) 13.811 7.097 ( 0.000 3.173 0.119) 3.175 8.358 ( -0.000 -2.509 -8.359) 8.728 8.841 ( -0.000 -5.357 -3.012) 6.146 9.514 ( -0.000 10.459 -7.689) 12.981 10.438 ( 0.000 9.807 1.710) 9.955 11.123 ( 0.000 11.904 -2.052) 12.080 11.726 ( 0.000 4.803 9.363) 10.523 12.797 ( -0.000 -0.095 -0.142) 0.170 14.962 ( -0.000 1.473 -3.013) 3.354 15.836 ( 0.000 -0.440 3.335) 3.364 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 8.068 -9.071 -0.818) 12.167 2.937 ( 9.931 -17.169 8.684) 21.652 3.820 ( 3.424 -4.461 0.120) 5.625 4.339 ( 6.105 0.749 14.923) 16.141 5.321 ( 3.906 4.755 -3.058) 6.872 5.380 ( 1.128 -6.548 1.432) 6.797 6.202 ( -6.924 -10.106 -7.281) 14.251 6.370 ( -5.024 0.686 -1.039) 5.176 7.072 ( -6.924 1.889 -2.986) 7.774 8.326 ( 2.637 -1.548 -4.638) 5.555 8.758 ( -1.499 -5.180 -1.907) 5.720 9.577 ( -2.169 10.438 -4.092) 11.420 10.628 ( 7.421 9.804 0.523) 12.307 11.175 ( -5.857 14.637 -3.216) 16.090 11.785 ( -3.695 7.211 9.054) 12.150 12.897 ( 10.624 -1.240 0.013) 10.696 14.935 ( -2.100 0.776 -5.350) 5.800 15.791 ( -7.612 2.261 5.398) 9.601 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -0.000 -11.769 -1.128) 11.823 2.716 ( 0.000 -19.559 6.965) 20.762 3.734 ( -0.000 -5.781 -0.081) 5.782 4.298 ( 0.000 -9.659 12.279) 15.623 5.170 ( -0.000 -16.479 1.013) 16.510 5.470 ( 0.000 15.342 -2.758) 15.588 6.134 ( -0.000 -7.893 -6.446) 10.191 6.441 ( 0.000 2.009 1.450) 2.478 7.162 ( -0.000 4.245 -3.485) 5.493 8.265 ( -0.000 -1.980 -4.243) 4.682 8.694 ( -0.000 -7.538 -2.092) 7.823 9.668 ( -0.000 9.712 -6.079) 11.458 10.684 ( 0.000 13.952 0.963) 13.985 11.379 ( 0.000 15.521 -2.356) 15.699 11.939 ( 0.000 10.512 8.582) 13.570 12.800 ( 0.000 0.595 0.135) 0.610 14.917 ( -0.000 -2.867 -7.386) 7.923 15.907 ( 0.000 3.814 8.161) 9.008 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.000 -0.000 27.715) 27.715 0.918 ( 0.000 -0.000 27.715) 27.715 1.642 ( 0.000 -0.000 51.765) 51.765 2.999 ( -0.000 0.000 -5.595) 5.595 2.999 ( -0.000 0.000 -5.595) 5.595 5.520 ( -0.000 0.000 -14.610) 14.610 6.496 ( 0.000 -0.000 1.096) 1.096 6.496 ( 0.000 -0.000 1.096) 1.096 8.192 ( -0.000 0.000 -2.269) 2.269 8.192 ( -0.000 0.000 -2.269) 2.269 9.420 ( -0.000 0.000 -1.537) 1.537 11.287 ( 0.000 -0.000 5.070) 5.070 11.730 ( 0.000 -0.000 1.831) 1.831 11.730 ( 0.000 -0.000 1.831) 1.831 12.968 ( -0.000 0.000 -1.115) 1.115 12.968 ( -0.000 0.000 -1.115) 1.115 13.044 ( -0.000 0.000 -2.017) 2.017 16.090 ( -0.000 0.000 -0.649) 0.649 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 12.302 7.103 21.731) 25.962 1.287 ( 12.642 7.299 27.058) 30.745 2.076 ( 24.751 14.290 36.678) 46.498 3.051 ( 5.080 2.933 -5.282) 7.894 3.165 ( 16.325 9.425 -4.490) 19.377 5.460 ( -0.461 -0.266 -15.584) 15.593 6.485 ( -0.614 -0.355 0.754) 1.035 6.518 ( 0.718 0.414 -1.909) 2.082 7.906 ( -22.872 -13.205 0.112) 26.410 8.252 ( 4.202 2.426 -1.565) 5.099 9.438 ( -1.366 -0.789 0.338) 1.613 10.128 ( -39.091 -22.569 24.960) 51.580 11.643 ( -6.678 -3.856 1.258) 7.814 12.334 ( 4.030 2.327 -16.038) 16.699 12.858 ( -8.186 -4.726 -1.803) 9.622 12.974 ( -0.194 -0.112 -0.709) 0.744 13.696 ( 41.303 23.846 -3.827) 47.846 16.107 ( 3.072 1.774 -5.962) 6.938 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 18.850 10.883 13.779) 25.761 1.660 ( 13.851 7.997 23.947) 28.797 2.867 ( 34.200 19.745 15.681) 42.490 3.178 ( 7.349 4.243 -4.811) 9.755 3.645 ( 25.407 14.669 0.424) 29.341 5.403 ( 0.202 0.117 -14.854) 14.856 6.475 ( -0.432 -0.249 0.142) 0.518 6.516 ( 0.201 0.116 -4.626) 4.632 7.315 ( -26.382 -15.232 4.185) 30.750 8.365 ( 5.914 3.414 -0.337) 6.837 9.259 ( -13.935 -8.046 14.258) 21.499 9.752 ( -6.818 -3.936 -0.469) 7.886 11.447 ( -10.629 -6.137 0.391) 12.280 12.202 ( -8.570 -4.948 -10.247) 14.245 12.614 ( -11.764 -6.792 -3.203) 13.957 12.955 ( -1.338 -0.772 -0.212) 1.559 14.370 ( 18.733 10.815 6.138) 22.485 16.180 ( 5.287 3.053 -11.066) 12.638 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 18.447 10.651 8.989) 23.120 2.086 ( 17.555 10.136 16.398) 26.073 3.334 ( 7.518 4.341 -4.341) 9.706 3.627 ( 29.518 17.042 -2.670) 34.189 4.266 ( 27.390 15.814 8.656) 32.791 5.376 ( 1.430 0.825 -11.661) 11.777 6.466 ( -0.267 -0.154 -0.574) 0.651 6.484 ( -2.436 -1.406 -3.468) 4.465 6.865 ( -13.191 -7.616 6.621) 16.608 8.507 ( 6.301 3.638 1.179) 7.371 8.997 ( -13.628 -7.868 14.972) 21.721 9.561 ( -9.943 -5.741 -10.985) 15.890 11.181 ( -12.547 -7.244 -0.581) 14.499 11.926 ( -12.997 -7.504 -5.044) 15.832 12.348 ( -10.011 -5.780 -4.673) 12.468 12.916 ( -2.011 -1.161 0.177) 2.329 14.671 ( 7.038 4.064 10.048) 12.923 16.240 ( 2.713 1.567 -9.621) 10.118 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 15.153 8.749 5.941) 18.479 2.550 ( 19.288 11.136 9.373) 24.164 3.478 ( 6.323 3.651 -3.634) 8.156 4.127 ( 17.151 9.902 -17.738) 26.587 4.901 ( 24.130 13.931 14.468) 31.395 5.399 ( 3.799 2.193 -4.728) 6.449 6.411 ( -2.494 -1.440 5.378) 6.100 6.457 ( -0.362 -0.209 -1.148) 1.221 6.760 ( 0.279 0.161 2.463) 2.484 8.648 ( 5.455 3.149 2.504) 6.778 8.734 ( -13.652 -7.882 9.941) 18.636 9.232 ( -14.769 -8.527 -10.963) 20.274 10.893 ( -12.286 -7.093 -1.403) 14.255 11.608 ( -13.497 -7.793 -2.795) 15.834 12.140 ( -7.066 -4.080 -4.612) 9.373 12.871 ( -1.943 -1.122 0.349) 2.271 14.802 ( 2.451 1.415 8.013) 8.498 16.230 ( -1.163 -0.672 -6.053) 6.200 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 10.469 6.044 3.214) 12.508 3.011 ( 19.431 11.218 3.271) 22.674 3.594 ( 4.861 2.807 -2.189) 6.025 4.273 ( 2.709 1.564 -24.685) 24.882 5.351 ( 10.793 6.231 7.411) 14.500 5.601 ( 13.967 8.064 12.110) 20.169 6.399 ( -1.651 -0.953 2.106) 2.840 6.441 ( -0.669 -0.386 -1.419) 1.616 6.824 ( 4.074 2.352 1.385) 4.904 8.456 ( -11.584 -6.688 0.059) 13.376 8.765 ( 3.959 2.286 3.149) 5.551 8.890 ( -12.766 -7.370 2.326) 14.923 10.630 ( -10.234 -5.909 -1.809) 11.955 11.315 ( -11.262 -6.502 -2.789) 13.300 11.991 ( -4.935 -2.849 -4.172) 7.063 12.835 ( -1.297 -0.749 0.325) 1.532 14.856 ( 0.809 0.467 4.611) 4.705 16.156 ( -3.725 -2.151 -3.239) 5.385 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 5.142 2.969 0.299) 5.945 3.441 ( 18.381 10.612 -2.763) 21.404 3.687 ( 3.827 2.209 0.047) 4.419 4.135 ( -6.254 -3.611 -23.864) 24.933 5.547 ( 5.331 3.078 5.565) 8.298 5.914 ( 4.835 2.791 13.601) 14.702 6.304 ( -3.348 -1.933 -9.149) 9.932 6.419 ( -0.769 -0.444 -1.469) 1.717 6.927 ( 4.199 2.424 0.901) 4.932 8.276 ( -3.706 -2.140 -0.205) 4.284 8.711 ( -5.309 -3.065 16.659) 17.751 8.847 ( 2.273 1.312 3.096) 4.058 10.429 ( -6.809 -3.931 -1.788) 8.063 11.091 ( -7.386 -4.264 -3.373) 9.171 11.884 ( -3.293 -1.901 -4.427) 5.836 12.815 ( -0.613 -0.354 0.220) 0.741 14.881 ( 0.526 0.304 1.871) 1.967 16.053 ( -4.374 -2.525 -1.727) 5.337 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 0.206 0.119 -1.861) 1.876 3.750 ( 3.170 1.830 -18.678) 19.034 3.766 ( 2.731 1.577 1.913) 3.689 3.932 ( 2.754 1.590 -9.828) 10.330 5.556 ( -7.374 -4.257 -5.318) 10.039 5.833 ( -5.883 -3.397 -2.527) 7.248 6.344 ( 3.902 2.253 6.059) 7.550 6.400 ( -0.350 -0.202 -1.487) 1.541 7.006 ( 2.678 1.546 -0.200) 3.099 8.245 ( -1.027 -0.593 5.855) 5.974 8.786 ( 5.767 3.330 22.533) 23.496 8.887 ( 0.329 0.190 2.809) 2.835 10.320 ( -2.172 -1.254 -1.619) 2.986 10.969 ( -2.236 -1.291 -3.565) 4.402 11.812 ( -1.566 -0.904 -5.366) 5.663 12.806 ( -0.300 -0.173 0.123) 0.367 14.898 ( 0.736 0.425 0.515) 0.994 15.957 ( -3.441 -1.986 -1.448) 4.229 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -3.673 -2.121 -2.291) 4.820 3.481 ( -12.754 -7.364 -18.814) 23.893 3.815 ( 0.788 0.455 2.356) 2.525 4.173 ( 12.769 7.372 -10.225) 17.943 5.297 ( -7.566 -4.368 -15.005) 17.363 5.718 ( -6.743 -3.893 2.026) 8.045 6.396 ( -2.380 -1.374 9.577) 9.963 6.396 ( 0.465 0.268 -1.547) 1.637 7.052 ( 1.665 0.961 -0.175) 1.930 8.253 ( -0.625 -0.361 9.275) 9.303 8.878 ( -2.018 -1.165 2.658) 3.535 9.071 ( 11.611 6.704 20.549) 24.536 10.326 ( 3.233 1.866 -1.511) 4.027 10.973 ( 3.634 2.098 -2.701) 4.991 11.781 ( 0.842 0.486 -6.620) 6.691 12.800 ( -0.246 -0.142 0.046) 0.288 14.917 ( 0.675 0.390 0.872) 1.170 15.894 ( -1.455 -0.840 -2.386) 2.918 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -6.904 -3.986 -1.142) 8.053 3.111 ( -15.020 -8.672 -13.217) 21.806 3.810 ( -1.969 -1.137 1.551) 2.752 4.355 ( 6.096 3.519 -14.230) 15.875 5.219 ( 4.586 2.648 -7.199) 8.937 5.507 ( -11.973 -6.913 0.743) 13.846 6.302 ( -8.371 -4.833 9.795) 13.762 6.411 ( 1.304 0.753 -1.588) 2.189 7.093 ( 2.085 1.204 0.934) 2.583 8.271 ( -0.785 -0.453 8.463) 8.511 8.812 ( -4.535 -2.618 2.553) 5.826 9.402 ( 11.708 6.760 14.082) 19.521 10.454 ( 8.380 4.838 -1.374) 9.773 11.115 ( 9.279 5.357 -0.400) 10.722 11.814 ( 4.465 2.578 -7.794) 9.345 12.796 ( -0.048 -0.028 -0.029) 0.063 14.930 ( -0.337 -0.195 3.195) 3.219 15.878 ( 1.053 0.608 -4.657) 4.813 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 22.503 22.052) 31.506 1.368 ( 0.000 18.710 20.797) 27.975 2.110 ( 0.000 13.019 39.144) 41.253 2.989 ( -0.000 4.463 -6.713) 8.061 3.200 ( 0.000 21.635 -2.878) 21.826 5.413 ( -0.000 0.975 -16.999) 17.027 6.502 ( -0.000 1.051 -1.853) 2.130 6.516 ( 0.000 0.315 0.954) 1.005 8.091 ( -0.000 -7.755 -3.772) 8.623 8.175 ( -0.000 1.870 -1.962) 2.710 9.431 ( -0.000 -2.476 0.325) 2.497 10.107 ( 0.000 -55.800 24.748) 61.042 11.709 ( 0.000 -5.200 1.612) 5.445 12.269 ( -0.000 5.004 -14.064) 14.928 12.896 ( -0.000 -7.519 -1.802) 7.732 12.929 ( -0.000 -1.932 -0.993) 2.172 13.722 ( 0.000 53.885 -4.352) 54.060 16.028 ( -0.000 -6.186 -3.364) 7.042 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 2.590 24.787 15.258) 29.222 1.688 ( 5.997 14.283 23.919) 28.497 2.598 ( 23.602 18.729 18.699) 35.461 3.098 ( 7.355 7.064 -6.399) 12.039 3.528 ( 11.314 25.697 2.427) 28.182 5.369 ( -0.533 2.944 -16.517) 16.786 6.494 ( -1.663 0.174 0.143) 1.678 6.514 ( -0.016 1.052 -2.887) 3.072 7.698 ( -27.583 -8.446 -0.243) 28.848 8.277 ( 6.207 1.524 -1.439) 6.551 9.300 ( -3.816 -21.927 12.385) 25.470 9.770 ( -2.440 -12.699 5.297) 13.974 11.568 ( -8.326 -6.386 0.969) 10.538 12.204 ( -2.924 -5.761 -10.764) 12.554 12.701 ( -9.395 -10.791 -2.100) 14.461 12.927 ( 1.556 -2.748 -0.859) 3.272 14.333 ( 11.985 34.427 2.473) 36.538 16.006 ( 7.356 -6.710 -8.126) 12.852 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 9.132 20.728 11.624) 25.459 2.034 ( 9.528 15.011 18.926) 25.968 3.195 ( 16.943 8.818 -1.009) 19.127 3.353 ( 18.393 16.837 -5.859) 25.615 4.071 ( 20.570 23.431 10.149) 32.789 5.347 ( -0.234 4.864 -13.900) 14.728 6.450 ( -2.013 -2.114 0.335) 2.939 6.525 ( 0.153 2.805 -3.481) 4.473 7.163 ( -25.421 -4.765 5.525) 26.448 8.402 ( 7.668 0.274 0.181) 7.675 9.064 ( -4.128 -20.258 13.723) 24.815 9.633 ( -7.382 -3.650 -8.351) 11.729 11.336 ( -11.789 -6.140 0.518) 13.302 12.005 ( -8.270 -8.856 -6.303) 13.658 12.405 ( -9.392 -12.426 -3.446) 15.953 12.919 ( 0.366 -1.693 -0.495) 1.801 14.724 ( 2.629 17.046 10.534) 20.210 16.066 ( 9.945 -6.214 -11.348) 16.319 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 10.331 19.544 7.166) 23.239 2.418 ( 13.062 13.060 13.126) 22.660 3.414 ( 6.579 6.856 -4.085) 10.343 3.856 ( 20.774 13.131 -15.627) 29.124 4.704 ( 23.158 18.887 15.031) 33.451 5.365 ( 1.138 5.601 -8.831) 10.519 6.407 ( -0.503 -2.069 2.541) 3.315 6.536 ( -2.149 3.536 -1.504) 4.402 6.845 ( -11.186 -0.618 7.336) 13.391 8.527 ( 7.429 -3.591 2.977) 8.772 8.852 ( -5.933 -12.961 7.644) 16.175 9.364 ( -13.740 -6.161 -11.606) 19.011 11.062 ( -13.809 -5.030 0.042) 14.697 11.723 ( -11.743 -9.827 -2.590) 15.530 12.154 ( -5.090 -10.474 -4.725) 12.568 12.907 ( -1.045 0.847 -0.194) 1.359 14.873 ( -2.484 7.990 10.734) 13.610 16.111 ( 6.984 -7.744 -9.163) 13.882 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 5.738 17.545 4.413) 18.980 2.826 ( 16.754 11.072 6.083) 20.983 3.559 ( 4.506 6.596 -3.049) 8.551 4.144 ( 8.591 7.491 -22.528) 25.247 5.256 ( 14.847 12.024 10.918) 22.005 5.481 ( 10.201 6.588 3.715) 12.699 6.407 ( 0.082 -1.271 2.156) 2.504 6.501 ( -5.273 2.229 1.957) 6.050 6.795 ( 1.224 0.530 4.585) 4.775 8.509 ( -4.123 -12.784 4.575) 14.190 8.723 ( 0.007 -1.323 -4.442) 4.635 9.045 ( -11.203 -5.896 -0.806) 12.685 10.787 ( -13.164 -3.447 -0.487) 13.617 11.420 ( -11.885 -8.949 -1.598) 14.963 11.988 ( -2.532 -7.693 -4.754) 9.391 12.903 ( -2.446 4.538 -0.021) 5.156 14.901 ( -3.204 2.519 7.290) 8.352 16.086 ( 3.295 -9.601 -5.753) 11.668 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 1.127 13.788 1.395) 13.905 3.221 ( 16.824 8.625 -0.671) 18.918 3.686 ( 3.554 7.427 -1.201) 8.321 4.156 ( -4.090 5.368 -23.194) 24.155 5.504 ( 6.208 5.480 5.040) 9.694 5.841 ( 14.251 4.979 14.839) 21.168 6.332 ( -6.632 -4.067 -7.781) 11.003 6.425 ( -3.232 -1.245 0.855) 3.568 6.875 ( 4.536 0.650 3.689) 5.883 8.320 ( -4.857 -4.069 -0.802) 6.387 8.671 ( 0.505 -9.818 3.173) 10.331 8.942 ( -2.021 2.682 7.880) 8.566 10.564 ( -10.500 -0.064 -0.805) 10.531 11.147 ( -9.372 -8.260 -1.847) 12.628 11.875 ( -1.621 -5.340 -4.927) 7.445 12.912 ( -4.029 8.484 0.082) 9.392 14.881 ( -1.494 -1.404 3.703) 4.233 16.007 ( 1.236 -10.495 -3.257) 11.058 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -3.359 9.841 -1.332) 10.483 3.522 ( 12.167 1.971 -7.003) 14.177 3.836 ( 5.016 10.689 -2.283) 12.027 4.006 ( -11.123 7.501 -16.586) 21.333 5.615 ( -1.419 0.653 1.450) 2.131 5.902 ( -9.528 -5.636 -4.724) 12.035 6.258 ( 7.638 -1.160 1.927) 7.962 6.382 ( -0.221 -2.702 2.406) 3.624 6.958 ( 3.845 -0.493 1.785) 4.268 8.283 ( -0.652 1.278 4.438) 4.664 8.653 ( 6.584 -8.647 10.780) 15.308 8.997 ( -0.013 5.141 8.221) 9.696 10.434 ( -7.579 5.619 -0.616) 9.454 10.943 ( -3.859 -8.340 -2.193) 9.448 11.791 ( -0.938 -3.623 -5.703) 6.821 12.928 ( -5.835 11.382 0.171) 12.792 14.860 ( 1.226 -3.836 1.270) 4.222 15.913 ( 0.958 -10.305 -1.937) 10.529 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( -6.679 6.570 -2.147) 9.611 3.544 ( -5.878 -1.299 -15.864) 16.968 3.878 ( -3.644 4.685 -3.745) 7.018 4.068 ( 6.396 15.014 -6.660) 17.626 5.387 ( -13.392 -2.981 -15.858) 20.969 5.772 ( -3.019 -3.578 2.632) 5.370 6.325 ( 3.156 -5.915 1.039) 6.784 6.407 ( 2.263 -2.967 9.192) 9.921 7.008 ( 2.998 -1.982 1.051) 3.744 8.303 ( -1.034 1.029 7.950) 8.082 8.766 ( 8.525 -5.853 7.498) 12.774 9.110 ( 3.693 6.508 11.394) 13.631 10.412 ( -5.054 11.590 -0.137) 12.644 10.856 ( 4.186 -7.555 -1.792) 8.821 11.736 ( 0.507 -2.397 -6.844) 7.269 12.933 ( -7.306 12.251 0.207) 14.266 14.862 ( 3.471 -4.309 0.493) 5.555 15.834 ( 1.964 -9.356 -1.725) 9.714 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -9.271 4.337 -1.140) 10.299 3.282 ( -16.136 0.345 -14.434) 21.652 3.870 ( -2.673 2.720 0.592) 3.860 4.271 ( 5.251 10.978 -12.769) 17.640 5.197 ( -2.112 4.169 -11.527) 12.438 5.636 ( -9.276 -6.238 3.447) 11.698 6.312 ( 2.237 -8.014 2.246) 8.618 6.393 ( -1.819 -5.541 8.005) 9.904 7.036 ( 3.259 -3.347 1.507) 4.908 8.323 ( -1.216 1.101 7.836) 8.006 8.815 ( 1.238 -4.518 3.066) 5.599 9.332 ( 9.937 5.455 10.413) 15.393 10.480 ( -1.269 13.293 -0.240) 13.356 10.936 ( 11.605 -3.058 0.347) 12.006 11.723 ( 3.443 -1.235 -8.020) 8.814 12.921 ( -7.604 11.048 0.139) 13.412 14.894 ( 3.849 -3.021 1.750) 5.196 15.789 ( 3.756 -7.850 -2.772) 9.133 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.000 18.187 12.786) 22.232 1.889 ( 0.000 20.379 21.670) 29.748 2.654 ( 0.000 24.166 12.741) 27.319 3.083 ( -0.000 9.406 -6.160) 11.244 3.727 ( 0.000 29.366 4.504) 29.710 5.364 ( -0.000 6.486 -16.111) 17.368 6.510 ( -0.000 1.355 -3.024) 3.314 6.514 ( -0.000 -0.897 -0.019) 0.897 7.857 ( -0.000 -11.703 -9.187) 14.879 8.249 ( 0.000 6.418 0.141) 6.419 9.078 ( 0.000 -34.617 19.649) 39.804 9.714 ( 0.000 -2.353 0.859) 2.505 11.546 ( -0.000 -11.842 -0.011) 11.842 12.135 ( -0.000 -6.889 -8.976) 11.315 12.656 ( -0.000 -15.068 -2.878) 15.341 12.888 ( -0.000 -1.777 0.056) 1.778 14.620 ( 0.000 37.494 3.197) 37.630 15.820 ( -0.000 -10.803 -6.185) 12.448 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 2.988 15.492 12.906) 20.383 2.179 ( 3.912 19.504 17.311) 26.370 3.048 ( 12.849 20.406 -1.219) 24.146 3.246 ( 9.490 12.495 -6.107) 16.837 4.110 ( 9.061 27.842 9.234) 30.701 5.386 ( -1.060 10.136 -13.833) 17.182 6.476 ( -2.491 -1.735 -0.175) 3.040 6.519 ( 0.976 0.468 -2.124) 2.384 7.530 ( -19.043 -8.317 -3.906) 21.145 8.316 ( 1.625 2.986 1.492) 3.713 8.871 ( 3.704 -26.222 14.908) 30.391 9.678 ( -3.600 -0.944 -5.620) 6.741 11.388 ( -3.731 -12.042 -0.206) 12.609 12.001 ( -3.916 -8.337 -6.406) 11.220 12.403 ( -8.228 -17.417 -2.812) 19.467 12.885 ( 1.238 -1.183 -0.122) 1.716 14.961 ( -0.940 24.604 10.179) 26.643 15.769 ( 8.954 -10.393 -9.867) 16.899 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 8.972 13.612 11.470) 19.934 2.513 ( 6.009 20.786 11.295) 24.408 3.343 ( 8.106 9.018 -5.974) 13.517 3.616 ( 17.713 15.813 -11.667) 26.456 4.618 ( 16.116 22.780 13.100) 30.826 5.427 ( -2.159 11.949 -10.251) 15.891 6.419 ( -1.758 -1.546 1.468) 2.763 6.539 ( 2.006 -0.998 0.044) 2.241 7.145 ( -18.788 -2.038 4.252) 19.371 8.382 ( 5.148 -3.335 3.122) 6.883 8.755 ( 1.781 -15.273 5.966) 16.494 9.492 ( -11.805 -4.440 -11.175) 16.851 11.192 ( -7.480 -9.229 0.576) 11.894 11.798 ( -8.368 -8.495 -2.851) 12.260 12.093 ( -5.599 -16.350 -3.706) 17.675 12.906 ( 1.622 0.866 -0.431) 1.889 15.109 ( -7.369 12.868 13.444) 20.016 15.815 ( 11.498 -10.860 -11.132) 19.340 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 12.626 11.686 7.067) 18.599 2.846 ( 4.314 21.607 7.083) 23.144 3.514 ( 6.616 5.720 -6.268) 10.760 3.983 ( 13.662 12.369 -15.744) 24.239 5.150 ( 17.745 15.874 13.300) 27.271 5.479 ( -0.969 10.600 -4.790) 11.673 6.401 ( -0.142 -2.001 2.210) 2.985 6.569 ( 1.707 -0.982 4.101) 4.550 6.899 ( -11.447 0.159 7.150) 13.498 8.414 ( 2.924 -9.101 5.239) 10.901 8.672 ( 0.256 -5.822 -4.945) 7.643 9.167 ( -13.197 -6.510 -8.862) 17.178 10.954 ( -10.994 -7.121 1.144) 13.148 11.544 ( -11.632 -6.683 -0.798) 13.438 11.897 ( -0.060 -11.865 -4.205) 12.588 12.956 ( 1.520 4.511 -0.522) 4.788 15.086 ( -10.028 5.700 10.456) 15.569 15.837 ( 8.790 -13.636 -8.009) 18.093 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 13.527 8.827 2.573) 16.356 3.100 ( -0.661 19.557 1.796) 19.650 3.660 ( 6.878 6.076 -4.855) 10.382 4.194 ( 3.161 12.729 -16.456) 21.043 5.506 ( 3.446 9.205 3.897) 10.573 5.668 ( 15.023 5.869 9.731) 18.837 6.346 ( -2.655 -6.246 -1.254) 6.901 6.546 ( -7.707 0.408 3.089) 8.313 6.825 ( 1.037 -2.080 7.603) 7.950 8.342 ( -2.633 -4.952 1.450) 5.793 8.585 ( -0.810 -6.737 -7.816) 10.351 8.974 ( -1.693 -3.090 2.009) 4.056 10.723 ( -9.448 -3.927 1.453) 10.335 11.275 ( -13.079 -4.911 -0.640) 13.986 11.803 ( 0.903 -7.129 -4.227) 8.337 13.042 ( 0.499 9.611 -0.418) 9.633 14.975 ( -9.179 0.025 6.239) 11.099 15.795 ( 6.244 -16.005 -4.836) 17.847 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( -4.859 12.639 -2.767) 13.821 3.343 ( 11.650 6.170 -0.931) 13.216 3.837 ( 5.488 10.717 -5.872) 13.396 4.243 ( -7.066 16.129 -12.670) 21.693 5.628 ( 2.282 3.628 4.184) 5.990 5.940 ( 4.554 -3.823 7.376) 9.474 6.162 ( -4.740 -5.115 -10.555) 12.650 6.408 ( -5.645 -2.895 6.112) 8.809 6.877 ( 4.355 -4.022 5.461) 8.060 8.315 ( 0.307 2.186 2.669) 3.464 8.515 ( 3.225 -6.765 1.584) 7.660 8.994 ( 3.795 -1.575 3.328) 5.287 10.593 ( -4.888 1.928 1.936) 5.600 11.010 ( -12.263 -4.331 -0.659) 13.022 11.742 ( -0.131 -3.987 -4.942) 6.351 13.148 ( -2.609 15.092 -0.085) 15.317 14.840 ( -4.971 -5.112 2.771) 7.650 15.716 ( 5.283 -16.860 -2.713) 17.875 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -6.708 7.064 -3.568) 10.374 3.542 ( 4.930 6.283 -4.270) 9.056 3.950 ( -2.318 9.909 -12.159) 15.856 4.255 ( -6.655 20.157 -4.534) 21.706 5.563 ( -14.292 -1.527 -12.140) 18.814 5.778 ( -2.225 -4.346 1.189) 5.025 6.193 ( 5.926 -7.078 3.378) 9.830 6.361 ( 0.904 -4.787 9.724) 10.876 6.916 ( 4.164 -6.041 3.826) 8.275 8.351 ( -0.348 1.513 4.578) 4.834 8.602 ( 8.715 -1.227 5.840) 10.563 9.070 ( 6.121 -2.019 2.671) 6.977 10.615 ( 0.082 9.152 2.994) 9.630 10.785 ( -8.543 -4.173 -0.615) 9.528 11.684 ( -0.567 -2.715 -6.024) 6.631 13.229 ( -7.796 18.304 0.307) 19.897 14.749 ( 1.632 -7.767 0.740) 7.971 15.636 ( 5.609 -16.437 -1.580) 17.439 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( -8.113 4.049 -2.291) 9.352 3.562 ( -11.488 11.915 -8.792) 18.742 3.916 ( -2.576 3.003 -6.776) 7.846 4.365 ( -2.873 19.382 -7.142) 20.855 5.293 ( -9.024 4.439 -13.463) 16.804 5.710 ( -4.390 -5.426 4.891) 8.523 6.189 ( 2.769 -9.700 4.125) 10.898 6.360 ( 1.025 -8.019 9.972) 12.838 6.929 ( 4.044 -7.782 3.654) 9.501 8.377 ( -0.487 2.319 4.593) 5.168 8.737 ( 4.926 -1.394 3.604) 6.261 9.198 ( 10.690 -1.619 1.426) 10.906 10.650 ( -2.855 -2.815 -0.424) 4.032 10.786 ( 4.476 14.335 4.428) 15.657 11.635 ( 0.900 -2.840 -7.078) 7.680 13.232 ( -12.011 16.409 0.314) 20.338 14.760 ( 6.906 -5.417 0.789) 8.813 15.580 ( 6.766 -15.026 -1.432) 16.541 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.000 14.575 6.638) 16.016 2.352 ( 0.000 12.509 20.795) 24.267 3.171 ( -0.000 24.908 -7.177) 25.921 3.257 ( -0.000 11.608 -4.606) 12.489 4.342 ( 0.000 27.708 9.492) 29.289 5.478 ( -0.000 15.438 -12.221) 19.689 6.481 ( -0.000 -2.032 -0.812) 2.188 6.492 ( -0.000 -3.160 0.141) 3.163 7.529 ( -0.000 -13.226 -12.023) 17.874 8.421 ( 0.000 9.872 2.329) 10.143 8.616 ( 0.000 -24.312 17.272) 29.822 9.691 ( -0.000 -0.452 -5.333) 5.352 11.260 ( -0.000 -16.206 -1.643) 16.289 11.930 ( -0.000 -8.507 -5.856) 10.328 12.289 ( -0.000 -19.691 -2.465) 19.844 12.860 ( 0.000 -1.476 0.961) 1.761 15.248 ( 0.000 22.015 11.232) 24.715 15.552 ( -0.000 -10.615 -9.013) 13.925 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 3.835 12.614 8.247) 15.551 2.602 ( 7.600 12.762 14.197) 20.547 3.341 ( 1.609 13.510 -7.867) 15.716 3.489 ( 11.364 15.462 -8.369) 20.935 4.697 ( 6.960 24.757 10.573) 27.805 5.588 ( -2.718 18.294 -9.997) 21.024 6.428 ( -1.406 -4.338 0.605) 4.600 6.474 ( 1.922 -5.067 3.067) 6.227 7.316 ( -6.625 -9.117 -6.870) 13.199 8.372 ( -4.923 -4.192 8.881) 10.985 8.606 ( 4.249 -3.823 3.866) 6.900 9.589 ( -7.860 -3.402 -9.183) 12.557 11.114 ( 1.609 -14.905 -1.082) 15.031 11.800 ( -3.060 -8.726 -5.431) 10.724 12.020 ( -6.875 -19.022 -0.275) 20.229 12.875 ( 2.488 -0.050 0.506) 2.539 15.397 ( -4.927 4.243 16.642) 17.867 15.513 ( 6.479 -0.918 -13.235) 14.764 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 8.073 11.262 7.753) 15.878 2.943 ( 11.025 15.626 9.055) 21.159 3.450 ( 2.628 7.262 -9.544) 12.277 3.824 ( 14.679 12.703 -8.482) 21.184 5.106 ( 11.179 18.692 10.141) 24.025 5.660 ( -5.679 17.002 -7.281) 19.348 6.365 ( 0.429 -8.782 3.391) 9.424 6.499 ( 4.252 -3.062 6.918) 8.679 7.104 ( -9.405 -3.744 0.063) 10.124 8.322 ( 0.789 -4.405 4.619) 6.431 8.618 ( -0.815 -0.588 -1.904) 2.153 9.304 ( -14.148 -6.381 -11.838) 19.520 10.987 ( -2.484 -11.521 0.197) 11.788 11.623 ( -5.235 -9.120 -5.004) 11.646 11.768 ( -2.658 -13.152 1.814) 13.540 12.947 ( 3.918 3.446 -0.197) 5.221 15.350 ( -6.673 -1.552 10.772) 12.766 15.550 ( 3.635 -4.664 -7.432) 9.497 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 10.051 9.255 4.401) 14.355 3.295 ( 4.005 19.274 5.495) 20.438 3.536 ( 8.452 2.680 -8.937) 12.589 4.154 ( 11.996 13.009 -7.902) 19.380 5.483 ( 11.920 10.346 8.536) 17.944 5.691 ( -5.213 12.805 -2.980) 14.143 6.283 ( 0.453 -12.868 4.719) 13.714 6.583 ( 3.618 -1.465 6.937) 7.959 6.922 ( -9.660 -1.835 3.582) 10.465 8.323 ( 1.213 -1.275 0.718) 1.901 8.539 ( -4.466 -3.200 -8.685) 10.277 9.008 ( -7.931 -4.565 -4.982) 10.419 10.807 ( -6.446 -7.863 1.547) 10.285 11.410 ( -8.354 -8.085 -3.234) 12.067 11.691 ( 2.766 -6.038 0.523) 6.662 13.076 ( 4.920 8.099 -0.539) 9.492 15.211 ( -12.401 -0.580 7.902) 14.716 15.501 ( 4.913 -14.455 -5.558) 16.247 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 9.413 7.081 -1.181) 11.838 3.406 ( -3.905 8.591 0.374) 9.444 3.803 ( 11.650 14.403 -3.899) 18.931 4.409 ( 3.828 16.211 -7.534) 18.282 5.680 ( -1.464 5.850 2.423) 6.499 5.793 ( 9.009 1.029 6.376) 11.085 6.149 ( -3.094 -11.989 -1.144) 12.434 6.549 ( -8.532 -2.152 2.170) 9.062 6.803 ( -0.940 -5.274 6.585) 8.489 8.346 ( -0.209 4.085 -0.023) 4.091 8.416 ( 0.701 -4.526 -5.533) 7.182 8.921 ( 1.036 -3.268 -0.049) 3.429 10.672 ( -4.035 -1.847 3.329) 5.547 11.166 ( -10.216 -6.885 -2.734) 12.619 11.697 ( 1.231 -1.155 -1.182) 2.061 13.267 ( 4.992 13.617 -0.476) 14.510 14.982 ( -14.387 -3.025 4.422) 15.353 15.413 ( 6.582 -19.608 -3.391) 20.960 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( -2.826 5.106 -6.581) 8.796 3.490 ( 6.396 5.049 3.253) 8.774 4.079 ( 1.958 19.218 -7.834) 20.845 4.550 ( -4.652 19.827 -5.518) 21.100 5.687 ( -2.989 0.250 0.916) 3.136 5.806 ( -7.454 -8.306 -2.661) 11.473 6.025 ( 4.915 -6.250 -1.331) 8.062 6.386 ( -5.974 -4.841 8.626) 11.556 6.787 ( 3.516 -8.782 5.410) 10.898 8.362 ( 1.127 0.161 -0.312) 1.181 8.501 ( 6.772 4.910 3.049) 8.903 8.928 ( 4.648 -5.468 -1.416) 7.315 10.657 ( -0.988 1.829 6.313) 6.647 10.939 ( -7.962 -2.592 -4.036) 9.295 11.684 ( -2.150 1.013 -2.524) 3.467 13.486 ( 0.877 19.269 0.005) 19.289 14.728 ( -9.318 -7.393 1.585) 12.000 15.327 ( 7.863 -20.977 -1.719) 22.469 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -6.483 4.100 -2.803) 8.167 3.655 ( 6.316 4.192 -1.113) 7.662 4.139 ( -12.810 17.827 -11.337) 24.707 4.639 ( -6.286 21.251 -4.035) 22.526 5.475 ( -12.562 2.802 -12.927) 18.241 5.712 ( -0.359 -5.660 5.895) 8.180 6.039 ( 4.793 -11.724 4.054) 13.299 6.312 ( -0.930 -6.812 11.314) 13.239 6.777 ( 4.541 -10.776 4.779) 12.632 8.404 ( 1.753 2.937 0.406) 3.444 8.670 ( 4.863 2.921 3.841) 6.851 8.973 ( 9.475 -6.074 -4.129) 11.988 10.614 ( -3.621 -6.847 5.594) 9.555 10.932 ( 2.754 12.626 -2.287) 13.124 11.627 ( -4.148 0.601 -3.097) 5.212 13.611 ( -10.489 19.376 0.407) 22.037 14.598 ( 3.682 -6.642 0.331) 7.601 15.265 ( 9.297 -20.146 -0.793) 22.202 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 0.000 11.014 3.498) 11.556 2.681 ( 0.000 8.743 16.385) 18.572 3.452 ( -0.000 10.747 -3.537) 11.314 3.491 ( -0.000 14.460 -11.318) 18.362 4.918 ( 0.000 24.347 8.748) 25.871 5.781 ( -0.000 21.636 -9.156) 23.494 6.350 ( 0.000 -14.776 7.860) 16.736 6.433 ( -0.000 -2.170 -0.574) 2.244 7.225 ( -0.000 -9.250 -10.030) 13.644 8.373 ( 0.000 -9.225 7.753) 12.050 8.640 ( 0.000 10.047 2.685) 10.400 9.602 ( -0.000 -3.642 -8.832) 9.553 10.918 ( -0.000 -16.812 -2.004) 16.931 11.698 ( -0.000 -12.253 -8.320) 14.811 11.921 ( -0.000 -15.656 4.030) 16.166 12.841 ( 0.000 -1.287 1.089) 1.686 15.291 ( -0.000 -10.216 -5.394) 11.553 15.654 ( 0.000 12.041 9.428) 15.293 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 5.687 10.056 5.132) 12.642 2.888 ( 9.157 8.250 11.077) 16.571 3.509 ( -1.727 9.204 -6.950) 11.662 3.687 ( 11.018 9.677 -5.409) 15.630 5.204 ( 3.966 20.490 6.707) 21.922 5.917 ( -5.270 20.180 -8.178) 22.402 6.224 ( 1.687 -19.693 11.115) 22.676 6.439 ( 2.975 -0.993 2.083) 3.765 7.115 ( -0.905 -5.928 -6.847) 9.101 8.322 ( -1.324 -1.619 2.972) 3.635 8.701 ( -4.203 7.080 0.914) 8.284 9.425 ( -11.021 -5.752 -11.428) 16.887 10.818 ( 5.907 -13.870 -1.297) 15.131 11.511 ( -1.773 -15.643 -8.019) 17.668 11.765 ( -4.892 -9.061 6.489) 12.171 12.886 ( 5.447 0.699 0.559) 5.520 15.210 ( 3.487 -10.544 -4.707) 12.062 15.716 ( -7.408 6.928 8.491) 13.227 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( 7.126 8.785 6.304) 12.949 3.232 ( 17.934 8.890 4.156) 20.443 3.528 ( -2.716 7.090 -4.756) 8.959 3.998 ( 15.973 8.810 -2.890) 18.469 5.474 ( 5.493 13.378 4.515) 15.150 5.945 ( -8.628 15.457 -5.914) 18.664 6.107 ( 3.397 -21.151 12.703) 24.905 6.519 ( 4.703 -0.202 3.926) 6.129 7.018 ( -3.789 -3.140 -3.379) 5.969 8.320 ( -0.225 3.013 -0.899) 3.152 8.634 ( -9.057 2.504 -3.959) 10.197 9.113 ( -12.231 -4.872 -8.663) 15.760 10.775 ( 1.458 -9.149 -0.831) 9.302 11.328 ( 0.753 -14.643 -5.511) 15.664 11.652 ( -2.358 -4.262 5.842) 7.606 13.034 ( 8.173 5.445 -0.020) 9.821 15.145 ( 3.695 -13.167 -3.259) 14.059 15.600 ( -14.097 2.133 6.047) 15.487 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 7.676 6.751 4.209) 11.055 3.495 ( 0.255 2.318 -6.826) 7.213 3.700 ( 15.933 15.241 5.491) 22.722 4.354 ( 15.359 10.205 -1.884) 18.536 5.665 ( 5.106 3.900 3.372) 7.256 5.900 ( -8.892 9.013 -3.278) 13.079 6.012 ( 2.862 -17.249 10.368) 20.327 6.571 ( 1.240 -3.365 1.212) 3.786 6.884 ( -8.239 -2.293 -1.115) 8.625 8.360 ( 1.005 3.868 -2.889) 4.931 8.451 ( -8.470 1.182 -6.396) 10.679 8.925 ( -4.938 -1.998 -1.158) 5.451 10.706 ( -1.094 -2.562 0.672) 2.866 11.168 ( -3.024 -12.864 -3.691) 13.721 11.655 ( 3.021 -0.830 3.109) 4.414 13.264 ( 9.369 11.215 -0.274) 14.616 15.051 ( 2.912 -15.756 -1.711) 16.114 15.339 ( -17.633 -2.740 3.252) 18.139 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( 5.979 5.523 -0.015) 8.139 3.484 ( -1.073 2.143 -1.108) 2.641 4.133 ( 13.002 17.829 0.351) 22.069 4.678 ( 9.065 13.732 -1.900) 16.564 5.732 ( 0.603 -3.442 3.871) 5.215 5.799 ( -5.541 -3.031 -1.131) 6.416 5.930 ( -0.577 -7.916 1.642) 8.105 6.480 ( -6.271 -5.505 -0.972) 8.401 6.720 ( -4.900 -5.466 1.723) 7.541 8.337 ( 0.067 0.181 -2.072) 2.081 8.489 ( 3.533 8.977 -0.509) 9.661 8.847 ( -1.521 -3.936 -0.321) 4.232 10.723 ( 0.696 4.656 3.726) 6.004 10.953 ( -5.563 -11.745 -4.074) 13.619 11.713 ( 1.598 1.548 0.563) 2.295 13.566 ( 9.771 16.988 -0.206) 19.598 14.906 ( -8.462 -9.335 1.005) 12.639 15.021 ( -5.680 -15.532 -0.531) 16.547 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( -4.064 5.896 -1.607) 7.339 3.549 ( 6.946 0.242 0.002) 6.950 4.436 ( -0.168 19.873 -4.701) 20.422 4.898 ( -0.458 17.719 -2.222) 17.864 5.637 ( -8.049 -1.738 -6.433) 10.449 5.677 ( -1.372 -6.565 5.483) 8.663 5.854 ( 2.008 -10.956 -0.431) 11.147 6.331 ( -3.880 -5.958 6.949) 9.942 6.628 ( 1.137 -9.348 2.095) 9.647 8.384 ( 3.217 3.488 -1.271) 4.912 8.659 ( 4.218 7.366 3.077) 9.028 8.787 ( 2.359 -6.327 -3.377) 7.550 10.682 ( -8.520 -7.340 6.064) 12.777 10.900 ( 7.401 5.863 -5.396) 10.875 11.722 ( -3.154 2.410 -0.161) 3.973 13.892 ( 3.652 21.663 0.210) 21.970 14.595 ( -12.973 -6.194 0.332) 14.380 14.890 ( 8.991 -22.204 -0.544) 23.961 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 0.000 7.451 2.589) 7.888 2.937 ( 0.000 7.360 13.721) 15.570 3.619 ( -0.000 8.467 -3.090) 9.013 3.620 ( -0.000 5.727 -5.471) 7.920 5.386 ( 0.000 18.189 3.714) 18.564 6.033 ( 0.000 -24.602 16.031) 29.364 6.143 ( -0.000 20.313 -8.660) 22.082 6.395 ( -0.000 -1.597 0.318) 1.628 7.046 ( -0.000 -3.469 -6.427) 7.303 8.339 ( -0.000 2.348 -1.184) 2.629 8.824 ( 0.000 7.016 1.010) 7.088 9.440 ( -0.000 -5.096 -12.120) 13.148 10.604 ( -0.000 -13.654 -0.913) 13.684 11.351 ( -0.000 -15.294 -7.067) 16.848 11.752 ( 0.000 -7.490 7.380) 10.515 12.825 ( 0.000 -0.946 0.704) 1.180 15.085 ( -0.000 -7.024 -4.767) 8.489 15.866 ( 0.000 3.790 8.405) 9.220 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 8.529 6.327 3.491) 11.179 3.099 ( 6.650 6.385 10.721) 14.139 3.620 ( -1.711 5.613 -1.930) 6.177 3.811 ( 12.170 5.750 -1.736) 13.572 5.555 ( 1.552 10.169 1.880) 10.457 5.877 ( 2.786 -22.511 17.229) 28.485 6.212 ( -7.528 13.812 -6.628) 17.070 6.448 ( 4.905 1.546 -0.539) 5.171 7.005 ( -0.246 -1.381 -4.407) 4.625 8.362 ( -0.441 5.111 -3.889) 6.438 8.816 ( -7.850 4.146 -1.730) 9.044 9.243 ( -10.748 -3.917 -10.889) 15.793 10.576 ( 8.925 -9.596 -1.167) 13.156 11.169 ( -1.573 -13.754 -4.683) 14.615 11.682 ( -3.071 -5.063 7.311) 9.408 12.908 ( 9.390 1.128 0.321) 9.463 15.006 ( -0.327 -7.089 -3.642) 7.976 15.840 ( -8.666 0.845 6.511) 10.872 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 7.186 4.368 6.078) 10.376 3.368 ( 13.490 5.541 -0.062) 14.584 3.679 ( 3.180 6.883 5.667) 9.466 4.126 ( 18.382 5.371 0.195) 19.152 5.627 ( 3.722 -6.971 6.774) 10.408 5.819 ( 2.699 -9.167 9.520) 13.489 6.159 ( -9.502 9.256 -4.643) 14.054 6.513 ( 1.947 -0.881 -2.981) 3.667 6.961 ( -3.369 -0.351 -2.993) 4.520 8.395 ( -0.374 5.164 -4.888) 7.121 8.631 ( -12.796 1.865 -7.260) 14.830 9.033 ( -8.647 0.313 -1.644) 8.808 10.644 ( 5.921 -2.704 -2.072) 6.831 11.023 ( 1.383 -13.153 -2.910) 13.542 11.628 ( -0.673 -2.796 6.086) 6.732 13.147 ( 14.319 5.636 -0.019) 15.389 14.895 ( -1.955 -9.636 -2.401) 10.121 15.641 ( -16.254 -1.345 4.194) 16.840 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( 6.836 1.599 4.902) 8.562 3.525 ( 0.762 5.446 -3.600) 6.572 3.993 ( 18.996 9.117 8.566) 22.745 4.515 ( 19.608 6.289 1.592) 20.654 5.633 ( 5.554 -12.587 10.618) 17.378 5.793 ( -1.312 -4.242 -0.617) 4.483 6.038 ( -11.089 4.317 -2.703) 12.203 6.466 ( -1.929 -4.931 -6.541) 8.416 6.832 ( -9.596 -1.421 -3.502) 10.314 8.371 ( -3.246 1.103 -2.172) 4.059 8.543 ( -0.589 9.183 -4.796) 10.377 8.907 ( -7.402 -0.093 2.328) 7.760 10.715 ( 3.621 3.031 -4.148) 6.286 10.908 ( -1.285 -10.733 1.300) 10.888 11.656 ( 4.190 -1.611 2.930) 5.361 13.487 ( 16.192 10.628 -0.201) 19.369 14.743 ( -1.856 -12.803 -1.286) 13.001 15.307 ( -21.596 -2.820 2.108) 21.881 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 0.000 3.664 2.469) 4.419 3.164 ( 0.000 5.208 16.072) 16.895 3.679 ( 0.000 2.996 0.477) 3.033 3.740 ( -0.000 5.926 -2.776) 6.544 5.545 ( 0.000 -15.264 11.278) 18.978 5.776 ( 0.000 -0.519 7.556) 7.573 6.374 ( 0.000 -1.007 1.060) 1.462 6.423 ( -0.000 13.993 -9.514) 16.921 6.990 ( -0.000 0.551 -2.797) 2.851 8.400 ( -0.000 5.292 -6.514) 8.393 8.923 ( -0.000 3.243 -1.173) 3.449 9.269 ( -0.000 -2.140 -14.643) 14.798 10.386 ( -0.000 -8.374 0.605) 8.396 11.062 ( -0.000 -10.035 -3.257) 10.551 11.688 ( 0.000 -4.642 7.861) 9.129 12.814 ( 0.000 -0.506 0.266) 0.572 14.957 ( -0.000 -3.390 -2.687) 4.325 15.934 ( 0.000 -1.054 5.210) 5.316 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 9.798 1.716 2.238) 10.196 3.286 ( 4.181 2.998 14.852) 15.718 3.722 ( 0.481 4.891 3.517) 6.044 3.896 ( 12.659 4.269 -0.999) 13.397 5.435 ( 3.945 -20.617 16.678) 26.810 5.816 ( -0.260 3.284 0.186) 3.300 6.332 ( -4.565 2.015 -1.378) 5.177 6.501 ( -0.569 5.853 -8.027) 9.950 6.990 ( -0.767 1.358 -1.513) 2.173 8.421 ( 0.005 3.824 -7.808) 8.694 8.835 ( -11.090 1.528 -6.202) 12.798 9.164 ( -5.389 2.325 -7.285) 9.355 10.437 ( 11.732 -3.818 -0.745) 12.360 10.932 ( -3.782 -7.805 -1.930) 8.885 11.652 ( -2.218 -3.238 7.589) 8.543 12.929 ( 12.896 0.816 0.025) 12.922 14.891 ( -3.906 -2.845 -1.620) 5.096 15.855 ( -8.988 -2.320 3.458) 9.906 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 7.969 -1.404 3.621) 8.865 3.493 ( 10.164 4.658 5.327) 12.385 3.835 ( 7.294 3.100 9.812) 12.613 4.224 ( 19.810 4.589 1.797) 20.413 5.409 ( 7.531 -16.171 16.258) 24.136 5.807 ( -2.166 -0.420 -3.328) 3.993 6.233 ( -8.518 1.392 -3.831) 9.443 6.457 ( -4.009 -0.574 -8.724) 9.618 6.948 ( -5.619 0.443 -2.538) 6.181 8.408 ( -1.343 0.594 -6.376) 6.543 8.666 ( -6.997 6.216 -6.360) 11.316 9.078 ( -8.073 4.039 0.916) 9.074 10.648 ( 11.169 4.792 -2.928) 12.501 10.786 ( -1.566 -9.274 -1.276) 9.491 11.621 ( -0.802 -2.229 6.350) 6.777 13.232 ( 19.816 2.531 -0.268) 19.979 14.757 ( -7.580 -3.077 -0.763) 8.216 15.618 ( -16.723 -2.733 1.873) 17.048 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 0.000 -0.125 2.322) 2.325 3.318 ( 0.000 -3.347 19.906) 20.185 3.795 ( 0.000 8.362 4.684) 9.584 3.813 ( -0.000 3.354 -2.389) 4.118 5.265 ( 0.000 -18.125 18.021) 25.559 5.840 ( -0.000 0.856 -2.279) 2.434 6.369 ( 0.000 -0.390 1.404) 1.458 6.547 ( -0.000 5.586 -10.360) 11.770 7.009 ( 0.000 1.984 -0.404) 2.024 8.419 ( -0.000 1.858 -9.588) 9.767 8.944 ( -0.000 0.365 -2.468) 2.495 9.193 ( -0.000 5.363 -15.571) 16.468 10.286 ( 0.000 -2.503 1.467) 2.901 10.926 ( -0.000 -2.509 -0.344) 2.532 11.672 ( 0.000 -2.500 7.976) 8.358 12.807 ( -0.000 -0.307 -0.014) 0.308 14.913 ( -0.000 -0.121 -0.873) 0.882 15.915 ( 0.000 -3.009 2.449) 3.880 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 9.095 -2.196 1.628) 9.497 3.372 ( 6.039 -6.034 17.009) 19.031 3.847 ( 0.965 3.347 3.069) 4.642 4.009 ( 11.674 8.320 4.568) 15.046 5.215 ( 4.726 -12.294 16.767) 21.321 5.808 ( -1.209 -3.354 -3.874) 5.265 6.332 ( -4.588 -0.497 -0.480) 4.640 6.509 ( -4.140 0.641 -10.107) 10.941 7.016 ( -1.975 1.574 -0.534) 2.581 8.393 ( -0.149 -0.090 -9.369) 9.371 8.831 ( -8.939 2.068 -5.537) 10.717 9.211 ( -1.680 7.225 -7.874) 10.818 10.412 ( 14.021 1.338 -0.162) 14.086 10.849 ( -7.474 0.341 -0.530) 7.501 11.660 ( -2.158 -1.147 7.827) 8.200 12.935 ( 14.376 -0.187 -0.169) 14.378 14.867 ( -5.483 0.856 -0.504) 5.572 15.816 ( -8.927 -2.887 1.682) 9.532 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 0.000 -3.888 1.889) 4.322 3.292 ( 0.000 -11.848 17.756) 21.346 3.838 ( -0.000 0.643 -1.955) 2.058 4.062 ( 0.000 12.052 11.140) 16.412 5.138 ( 0.000 -6.123 15.150) 16.341 5.750 ( -0.000 -7.729 -3.956) 8.682 6.380 ( 0.000 0.521 1.565) 1.649 6.501 ( -0.000 -2.916 -10.536) 10.932 7.049 ( 0.000 2.067 0.325) 2.093 8.355 ( -0.000 -0.712 -10.410) 10.435 8.906 ( -0.000 -2.368 -2.900) 3.744 9.256 ( -0.000 11.241 -15.389) 19.057 10.309 ( 0.000 3.779 1.691) 4.140 10.954 ( 0.000 4.910 0.803) 4.975 11.706 ( 0.000 0.570 8.129) 8.149 12.801 ( -0.000 -0.304 -0.100) 0.320 14.926 ( -0.000 1.419 -0.778) 1.618 15.872 ( 0.000 -2.312 1.947) 3.022 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 -0.000 24.828) 24.828 1.187 ( 0.000 -0.000 24.828) 24.828 2.158 ( 0.000 -0.000 49.085) 49.085 2.935 ( -0.000 0.000 -6.948) 6.948 2.935 ( -0.000 0.000 -6.948) 6.948 5.344 ( -0.000 0.000 -19.707) 19.707 6.508 ( 0.000 -0.000 1.179) 1.179 6.508 ( 0.000 -0.000 1.179) 1.179 8.168 ( -0.000 0.000 -2.401) 2.401 8.168 ( -0.000 0.000 -2.401) 2.401 9.409 ( -0.000 0.000 -0.449) 0.449 11.337 ( 0.000 -0.000 4.591) 4.591 11.750 ( 0.000 -0.000 1.939) 1.939 11.750 ( 0.000 -0.000 1.939) 1.939 12.956 ( -0.000 0.000 -1.199) 1.199 12.956 ( -0.000 0.000 -1.199) 1.199 13.023 ( -0.000 0.000 -2.030) 2.030 16.083 ( -0.000 0.000 -0.694) 0.694 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 8.897 5.137 21.299) 23.648 1.546 ( 14.187 8.191 23.589) 28.720 2.428 ( 13.396 7.734 30.478) 34.178 2.990 ( 5.524 3.189 -6.491) 9.100 3.139 ( 18.972 10.954 0.869) 21.924 5.278 ( 0.328 0.189 -20.042) 20.046 6.494 ( -0.851 -0.491 0.990) 1.395 6.510 ( -0.722 -0.417 -0.106) 0.840 7.908 ( -20.625 -11.908 0.300) 23.818 8.233 ( 4.651 2.685 -2.158) 5.787 9.437 ( 0.976 0.564 -0.113) 1.133 10.342 ( -41.598 -24.017 17.085) 50.982 11.658 ( -7.020 -4.053 1.761) 8.295 12.198 ( 4.171 2.408 -10.923) 11.938 12.843 ( -8.505 -4.911 -1.212) 9.896 12.965 ( 0.033 0.019 -1.069) 1.069 13.667 ( 42.642 24.619 -2.036) 49.281 16.058 ( -0.411 -0.237 -3.868) 3.897 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 15.901 9.181 14.782) 23.572 1.908 ( 11.504 6.642 24.205) 27.611 2.960 ( 26.511 15.306 1.775) 30.664 3.124 ( 7.796 4.501 -5.630) 10.618 3.707 ( 27.583 15.925 12.202) 34.108 5.234 ( 1.816 1.049 -18.029) 18.151 6.478 ( -0.795 -0.459 0.441) 1.018 6.487 ( -0.765 -0.442 -1.416) 1.669 7.365 ( -24.773 -14.303 5.559) 29.141 8.357 ( 6.654 3.842 -1.265) 7.787 9.377 ( -8.386 -4.842 8.861) 13.126 9.752 ( -16.462 -9.504 0.448) 19.014 11.455 ( -11.141 -6.432 1.158) 12.916 12.106 ( -6.706 -3.872 -8.413) 11.434 12.590 ( -12.587 -7.267 -1.613) 14.624 12.950 ( -1.065 -0.615 -0.725) 1.427 14.433 ( 22.799 13.163 6.100) 27.023 16.070 ( 3.654 2.110 -10.431) 11.252 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 16.517 9.536 9.617) 21.359 2.265 ( 13.897 8.023 18.395) 24.410 3.288 ( 7.941 4.585 -4.540) 10.232 3.534 ( 24.517 14.155 -14.200) 31.671 4.403 ( 28.559 16.489 16.718) 36.973 5.247 ( 4.173 2.409 -13.176) 14.030 6.462 ( -0.642 -0.371 -0.320) 0.808 6.469 ( -0.679 -0.392 0.022) 0.784 6.942 ( -13.576 -7.838 8.474) 17.820 8.514 ( 7.159 4.133 0.133) 8.268 9.141 ( -15.148 -8.746 12.606) 21.561 9.446 ( -11.030 -6.368 -10.950) 16.796 11.179 ( -13.116 -7.573 0.264) 15.147 11.876 ( -11.366 -6.562 -4.498) 13.874 12.308 ( -10.823 -6.249 -3.017) 12.857 12.915 ( -1.789 -1.033 -0.355) 2.096 14.780 ( 7.016 4.051 11.234) 13.851 16.129 ( 4.200 2.425 -12.117) 13.051 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 13.740 7.933 5.643) 16.839 2.654 ( 15.875 9.166 10.952) 21.354 3.443 ( 6.871 3.967 -3.039) 8.496 3.917 ( 14.156 8.173 -22.528) 27.834 5.050 ( 22.060 12.737 12.865) 28.537 5.361 ( 9.937 5.737 -1.502) 11.573 6.446 ( -0.615 -0.355 -1.034) 1.254 6.458 ( -1.122 -0.648 3.545) 3.774 6.807 ( -1.671 -0.965 6.561) 6.839 8.670 ( 6.134 3.542 1.625) 7.267 8.782 ( -17.592 -10.157 -2.092) 20.421 9.177 ( -10.814 -6.243 1.763) 12.610 10.882 ( -12.745 -7.359 -0.706) 14.734 11.581 ( -13.192 -7.617 -2.154) 15.385 12.094 ( -7.180 -4.145 -4.298) 9.338 12.872 ( -1.820 -1.051 -0.093) 2.104 14.891 ( 0.722 0.417 9.333) 9.370 16.152 ( 0.895 0.517 -9.121) 9.180 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 9.195 5.309 2.057) 10.815 3.046 ( 16.358 9.445 3.425) 19.197 3.578 ( 5.659 3.267 -0.885) 6.594 4.015 ( 2.325 1.343 -25.179) 25.322 5.404 ( 10.058 5.807 3.123) 12.026 5.744 ( 17.613 10.169 15.274) 25.434 6.386 ( -6.619 -3.821 -4.480) 8.859 6.426 ( -0.752 -0.434 -1.464) 1.702 6.856 ( 3.155 1.822 4.669) 5.923 8.417 ( -11.186 -6.458 -5.961) 14.225 8.795 ( 4.241 2.448 2.644) 5.565 8.982 ( -8.614 -4.973 13.848) 17.050 10.614 ( -10.443 -6.029 -1.423) 12.142 11.289 ( -11.594 -6.694 -2.030) 13.541 11.944 ( -4.938 -2.851 -4.996) 7.581 12.837 ( -1.257 -0.726 0.025) 1.451 14.909 ( -0.898 -0.519 5.540) 5.636 16.110 ( -2.196 -1.268 -5.762) 6.295 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 4.151 2.396 -0.931) 4.882 3.401 ( 14.708 8.492 -5.608) 17.885 3.694 ( 4.583 2.646 1.330) 5.457 3.901 ( -3.963 -2.288 -20.932) 21.426 5.594 ( 4.379 2.528 3.378) 6.081 5.996 ( -8.602 -4.966 -1.652) 10.069 6.236 ( 6.317 3.647 0.474) 7.309 6.403 ( -0.759 -0.438 -1.592) 1.817 6.942 ( 3.117 1.800 1.862) 4.052 8.288 ( -0.676 -0.390 2.965) 3.066 8.878 ( 2.242 1.294 2.954) 3.928 8.902 ( -2.811 -1.623 19.808) 20.073 10.411 ( -6.807 -3.930 -1.697) 8.041 11.060 ( -7.709 -4.451 -2.503) 9.247 11.831 ( -3.456 -1.996 -5.837) 7.071 12.816 ( -0.610 -0.352 0.058) 0.707 14.903 ( -0.598 -0.345 2.435) 2.531 16.027 ( -3.511 -2.027 -3.409) 5.296 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -0.127 -0.073 -2.307) 2.312 3.535 ( -2.706 -1.563 -22.050) 22.270 3.788 ( 2.995 1.729 2.372) 4.193 3.853 ( 8.108 4.681 -6.517) 11.408 5.444 ( -14.248 -8.226 -15.754) 22.779 5.821 ( -1.633 -0.943 0.800) 2.049 6.384 ( -0.338 -0.195 -1.581) 1.628 6.437 ( 5.016 2.896 10.808) 12.261 7.006 ( 2.270 1.311 0.157) 2.626 8.322 ( 0.563 0.325 8.886) 8.910 8.916 ( 0.242 0.140 2.893) 2.906 9.008 ( 5.753 3.321 20.393) 21.447 10.303 ( -2.118 -1.223 -1.695) 2.976 10.937 ( -2.197 -1.268 -2.345) 3.455 11.749 ( -1.870 -1.080 -6.935) 7.264 12.807 ( -0.308 -0.178 0.075) 0.363 14.905 ( 0.376 0.217 0.745) 0.862 15.939 ( -3.238 -1.870 -2.119) 4.298 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.000 20.572 21.443) 29.715 1.566 ( 0.000 15.350 17.586) 23.343 2.470 ( 0.000 2.837 29.530) 29.666 2.917 ( -0.000 4.744 -7.127) 8.562 3.196 ( 0.000 25.093 3.759) 25.373 5.217 ( -0.000 2.222 -21.129) 21.245 6.493 ( -0.000 -0.807 -0.059) 0.809 6.524 ( 0.000 -0.002 0.657) 0.657 8.053 ( -0.000 -9.778 -3.693) 10.452 8.158 ( -0.000 2.514 -1.223) 2.796 9.432 ( 0.000 0.278 0.152) 0.317 10.320 ( 0.000 -55.131 17.220) 57.758 11.722 ( -0.000 -5.704 0.978) 5.787 12.151 ( -0.000 4.755 -9.250) 10.401 12.878 ( -0.000 -8.022 -1.774) 8.216 12.921 ( -0.000 -1.596 -0.556) 1.690 13.687 ( 0.000 53.675 -2.667) 53.741 16.002 ( -0.000 -7.800 -1.753) 7.995 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 1.593 21.057 14.400) 25.560 1.925 ( 7.752 13.827 22.281) 27.344 2.729 ( 15.710 11.373 6.152) 20.347 3.033 ( 7.531 7.149 -6.182) 12.085 3.602 ( 13.694 26.747 12.570) 32.572 5.183 ( 0.265 4.835 -19.644) 20.233 6.489 ( 0.003 0.342 -0.770) 0.843 6.503 ( -1.917 -0.726 0.012) 2.050 7.698 ( -22.976 -10.056 0.205) 25.081 8.261 ( 6.321 2.249 -1.627) 6.903 9.391 ( -1.556 -11.372 6.166) 13.029 9.834 ( -9.414 -24.642 6.646) 27.203 11.577 ( -8.081 -6.969 0.802) 10.701 12.108 ( -2.394 -4.589 -7.975) 9.508 12.684 ( -9.344 -11.410 -1.286) 14.803 12.918 ( 1.455 -2.448 -0.829) 2.966 14.354 ( 15.847 38.161 1.735) 41.357 15.936 ( 3.952 -8.337 -5.538) 10.761 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 7.930 19.537 10.006) 23.339 2.241 ( 7.587 11.398 21.080) 25.136 3.154 ( 15.484 8.317 -7.232) 19.006 3.270 ( 15.187 14.663 -9.434) 23.122 4.214 ( 22.177 23.000 16.661) 36.033 5.195 ( 1.474 7.177 -15.623) 17.256 6.455 ( -1.716 -1.730 0.562) 2.501 6.502 ( 0.223 2.319 -1.387) 2.712 7.224 ( -22.351 -5.340 6.382) 23.850 8.398 ( 8.307 1.216 -0.863) 8.439 9.199 ( -4.675 -21.541 12.803) 25.491 9.541 ( -10.530 -5.422 -9.597) 15.244 11.343 ( -11.897 -6.324 0.884) 13.503 11.945 ( -6.921 -7.352 -5.138) 11.329 12.379 ( -10.165 -13.308 -1.793) 16.842 12.913 ( 0.533 -1.598 -0.722) 1.833 14.831 ( 4.421 19.087 10.360) 22.163 15.948 ( 8.908 -6.205 -11.571) 15.867 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 8.914 17.968 5.964) 20.926 2.563 ( 10.320 10.677 14.930) 21.058 3.370 ( 7.489 6.531 -4.668) 10.978 3.677 ( 17.124 12.852 -18.449) 28.262 4.863 ( 22.730 17.970 14.862) 32.564 5.276 ( 4.988 7.927 -7.828) 12.206 6.429 ( -0.113 -1.179 1.442) 1.866 6.528 ( -0.856 3.903 -0.223) 4.002 6.929 ( -11.758 -1.010 8.968) 14.822 8.548 ( 8.803 -1.252 1.079) 8.957 8.903 ( -10.957 -17.329 0.865) 20.521 9.276 ( -9.798 -6.672 -4.047) 12.526 11.066 ( -14.369 -4.737 0.674) 15.145 11.699 ( -11.104 -8.725 -1.822) 14.239 12.112 ( -5.621 -11.148 -3.658) 13.009 12.903 ( -0.826 0.817 -0.486) 1.260 14.988 ( -3.964 7.720 11.714) 14.579 16.004 ( 8.527 -6.345 -11.605) 15.737 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 5.101 16.474 2.219) 17.388 2.896 ( 13.034 8.891 7.459) 17.452 3.530 ( 5.875 6.003 -2.857) 8.872 3.916 ( 6.130 9.099 -21.268) 23.932 5.319 ( 9.687 10.543 1.586) 14.405 5.561 ( 19.194 8.843 11.584) 24.100 6.410 ( -1.825 -2.012 -1.219) 2.977 6.511 ( -6.211 3.028 -0.266) 6.915 6.858 ( -0.490 0.559 7.621) 7.657 8.513 ( -11.382 -11.040 -4.668) 16.529 8.686 ( 6.175 -3.600 -0.963) 7.212 9.086 ( -4.972 -7.179 7.781) 11.697 10.786 ( -13.962 -2.784 0.310) 14.240 11.408 ( -12.283 -8.452 -0.602) 14.922 11.939 ( -2.669 -7.852 -4.989) 9.678 12.901 ( -2.255 4.461 -0.273) 5.006 14.979 ( -5.294 1.675 8.050) 9.779 16.014 ( 4.973 -8.223 -8.171) 12.614 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 0.158 13.139 -0.628) 13.155 3.213 ( 13.365 6.763 -1.172) 15.025 3.671 ( 4.938 5.838 -2.091) 7.927 3.941 ( -4.282 8.883 -17.766) 20.319 5.544 ( 7.060 6.025 2.827) 9.702 5.986 ( 13.847 3.015 13.076) 19.282 6.222 ( -11.329 -5.796 -13.045) 18.224 6.434 ( -3.620 1.184 0.824) 3.897 6.916 ( 2.650 0.775 4.175) 5.006 8.313 ( -2.494 -1.367 0.064) 2.845 8.726 ( 5.498 -10.379 6.369) 13.361 9.030 ( -0.679 -0.946 9.413) 9.485 10.560 ( -11.269 0.872 0.083) 11.303 11.133 ( -10.101 -7.737 -0.736) 12.745 11.819 ( -1.840 -5.385 -5.921) 8.212 12.912 ( -3.899 8.461 -0.091) 9.316 14.922 ( -3.125 -2.140 4.184) 5.644 15.964 ( 2.403 -9.521 -5.068) 11.050 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -3.734 9.501 -2.101) 10.423 3.427 ( 6.638 2.750 -11.904) 13.905 3.784 ( 3.473 4.525 -7.661) 9.551 3.902 ( -5.586 13.502 -3.393) 15.001 5.580 ( -12.156 -3.689 -9.593) 15.919 5.836 ( -4.398 -2.674 -4.834) 7.061 6.304 ( 8.365 -2.817 4.521) 9.917 6.424 ( 1.358 1.343 6.130) 6.420 6.975 ( 2.619 0.087 1.514) 3.026 8.343 ( 1.513 1.700 7.084) 7.441 8.756 ( 7.849 -10.278 9.113) 15.820 9.084 ( 2.223 2.283 8.411) 8.994 10.432 ( -8.252 6.868 0.196) 10.738 10.927 ( -4.502 -7.587 -0.722) 8.852 11.727 ( -1.281 -3.686 -6.902) 7.929 12.929 ( -5.794 11.460 0.073) 12.842 14.874 ( 0.354 -4.288 1.548) 4.573 15.888 ( 1.570 -9.733 -2.918) 10.282 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 0.000 15.564 8.870) 17.915 2.113 ( 0.000 21.592 21.988) 30.817 2.733 ( 0.000 14.371 2.229) 14.543 3.024 ( -0.000 10.067 -5.138) 11.303 3.816 ( 0.000 29.533 12.873) 32.217 5.183 ( -0.000 9.141 -18.940) 21.031 6.489 ( -0.000 0.871 -1.282) 1.550 6.512 ( -0.000 -1.303 -0.370) 1.355 7.765 ( -0.000 -14.659 -8.820) 17.107 8.255 ( 0.000 7.349 1.128) 7.435 9.246 ( 0.000 -27.049 13.428) 30.199 9.729 ( -0.000 -10.831 2.067) 11.026 11.541 ( -0.000 -12.509 -0.876) 12.540 12.055 ( -0.000 -5.870 -6.571) 8.811 12.629 ( -0.000 -15.459 -2.430) 15.648 12.892 ( 0.000 -1.394 0.649) 1.538 14.637 ( 0.000 41.690 0.207) 41.690 15.781 ( -0.000 -12.584 -1.648) 12.692 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 4.478 15.606 6.946) 17.659 2.383 ( 1.575 15.695 21.554) 26.709 2.992 ( 10.961 16.913 -9.502) 22.282 3.190 ( 8.257 12.270 -4.580) 15.483 4.235 ( 10.523 26.834 14.586) 32.304 5.231 ( -0.271 13.039 -16.171) 20.775 6.473 ( -1.953 -1.785 -0.352) 2.669 6.504 ( 0.856 1.295 -0.982) 1.837 7.484 ( -12.282 -10.624 -5.076) 17.014 8.331 ( 0.738 5.435 1.546) 5.699 9.022 ( 0.807 -27.732 14.566) 31.334 9.616 ( -6.366 -3.168 -6.644) 9.731 11.384 ( -2.893 -12.502 -0.633) 12.848 11.941 ( -3.301 -7.406 -5.030) 9.542 12.381 ( -8.067 -17.654 -1.616) 19.477 12.885 ( 0.613 -0.837 0.241) 1.065 15.043 ( 2.805 28.375 5.268) 28.996 15.692 ( 5.262 -12.052 -4.658) 13.951 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 8.446 13.952 6.760) 17.655 2.649 ( 4.061 16.691 15.034) 22.827 3.260 ( 9.436 8.589 -10.533) 16.545 3.508 ( 13.976 15.930 -8.577) 22.861 4.761 ( 16.923 21.079 14.241) 30.553 5.313 ( -0.326 14.326 -11.719) 18.511 6.431 ( -0.845 -1.200 0.949) 1.748 6.542 ( 2.009 1.651 0.421) 2.635 7.180 ( -13.827 -3.789 2.601) 14.571 8.410 ( 4.674 -0.119 2.084) 5.119 8.822 ( -1.603 -20.647 6.793) 21.795 9.382 ( -12.124 -5.264 -9.951) 16.544 11.198 ( -6.856 -9.346 0.484) 11.601 11.768 ( -6.863 -7.764 -2.664) 10.699 12.066 ( -6.823 -16.309 -1.683) 17.759 12.902 ( 1.363 0.999 -0.286) 1.714 15.244 ( -7.525 13.952 12.758) 20.348 15.699 ( 11.401 -10.621 -11.362) 19.285 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 9.957 11.974 3.240) 15.906 2.932 ( 3.116 18.520 9.811) 21.189 3.437 ( 8.612 4.412 -8.642) 12.974 3.843 ( 10.282 15.101 -10.867) 21.256 5.271 ( 15.195 15.022 8.922) 23.155 5.436 ( 5.041 11.241 -2.394) 12.550 6.414 ( -0.869 -2.067 0.432) 2.284 6.599 ( 0.778 2.529 1.539) 3.061 6.972 ( -9.440 -1.279 6.954) 11.795 8.475 ( 3.899 -9.058 6.287) 11.695 8.598 ( -5.282 -8.276 -9.189) 13.448 9.112 ( -7.418 -7.637 -1.953) 10.824 10.967 ( -10.804 -6.891 1.311) 12.882 11.538 ( -11.074 -6.823 -0.211) 13.009 11.858 ( -1.113 -11.036 -3.399) 11.601 12.952 ( 1.521 4.470 -0.441) 4.742 15.194 ( -12.111 4.792 10.605) 16.796 15.746 ( 10.300 -11.983 -9.701) 18.542 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 7.293 11.129 -4.265) 13.972 3.161 ( 1.267 14.991 7.628) 16.867 3.600 ( 8.343 5.293 -6.993) 12.105 4.057 ( 1.154 16.096 -9.954) 18.960 5.524 ( 4.089 9.865 -0.046) 10.679 5.773 ( 17.674 4.213 10.332) 20.901 6.309 ( -7.824 -6.226 -5.979) 11.650 6.562 ( -7.679 1.861 0.147) 7.902 6.903 ( -0.144 -1.980 7.287) 7.552 8.342 ( -3.927 -3.451 -1.642) 5.480 8.549 ( 5.006 -9.133 0.998) 10.463 9.001 ( 0.871 -5.339 3.234) 6.303 10.741 ( -9.628 -3.264 2.028) 10.367 11.272 ( -12.983 -5.367 0.332) 14.052 11.758 ( -0.085 -6.076 -4.598) 7.620 13.038 ( 0.659 9.529 -0.347) 9.558 15.039 ( -11.055 -0.913 6.208) 12.712 15.737 ( 7.446 -14.608 -6.320) 17.572 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( -1.853 9.578 -6.160) 11.538 3.353 ( 5.036 9.550 2.077) 10.994 3.759 ( 4.189 9.163 -8.795) 13.374 4.152 ( -5.659 18.356 -5.278) 19.920 5.654 ( 0.885 3.243 0.595) 3.414 5.933 ( -13.838 -7.071 -9.841) 18.394 6.112 ( 10.763 -2.475 2.729) 11.376 6.469 ( -4.032 -0.492 5.420) 6.773 6.925 ( 2.638 -3.151 4.018) 5.747 8.348 ( 2.429 2.344 3.981) 5.219 8.559 ( 6.823 -9.390 6.291) 13.202 9.019 ( 4.722 -4.064 1.587) 6.429 10.618 ( -5.300 3.208 2.757) 6.781 11.007 ( -12.147 -4.833 0.443) 13.081 11.688 ( -1.130 -3.051 -5.628) 6.501 13.147 ( -2.385 15.109 -0.052) 15.296 14.869 ( -6.296 -5.780 2.783) 8.989 15.682 ( 6.081 -15.888 -3.733) 17.417 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 0.000 13.603 2.997) 13.929 2.567 ( 0.000 9.792 20.345) 22.579 3.078 ( -0.000 22.675 -10.173) 24.852 3.217 ( 0.000 11.837 -2.952) 12.199 4.460 ( 0.000 26.403 12.983) 29.423 5.338 ( -0.000 18.442 -15.030) 23.791 6.473 ( -0.000 -2.086 -0.760) 2.220 6.494 ( -0.000 -0.757 0.176) 0.777 7.403 ( -0.000 -13.473 -12.556) 18.417 8.447 ( 0.000 10.287 2.624) 10.616 8.788 ( 0.000 -26.714 16.505) 31.402 9.630 ( -0.000 -2.255 -6.619) 6.993 11.241 ( -0.000 -16.483 -2.037) 16.608 11.875 ( -0.000 -8.609 -4.852) 9.882 12.272 ( -0.000 -18.531 -0.971) 18.557 12.872 ( 0.000 -1.401 1.268) 1.890 15.266 ( -0.000 20.344 -7.652) 21.735 15.558 ( 0.000 -7.453 10.101) 12.553 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 6.130 12.616 3.719) 14.511 2.750 ( 4.824 9.648 13.040) 16.923 3.251 ( 0.856 15.213 -8.101) 17.257 3.429 ( 10.422 14.184 -3.241) 17.897 4.812 ( 7.526 22.603 11.478) 26.444 5.470 ( -2.060 20.724 -12.870) 24.482 6.433 ( -1.110 -2.550 0.333) 2.801 6.504 ( 2.578 -2.417 2.525) 4.343 7.232 ( -2.035 -9.156 -9.298) 13.207 8.461 ( -6.133 0.892 7.869) 10.017 8.659 ( 2.461 -12.932 6.905) 14.864 9.491 ( -9.461 -4.567 -10.115) 14.583 11.102 ( 2.495 -15.030 -1.273) 15.289 11.744 ( -2.304 -10.361 -5.013) 11.739 12.029 ( -7.064 -16.189 1.752) 17.750 12.882 ( 1.934 -0.015 0.719) 2.064 15.374 ( 8.377 -4.330 -13.208) 16.229 15.569 ( -7.117 8.481 16.139) 19.572 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 7.750 11.164 5.161) 14.538 3.028 ( 10.663 13.355 6.130) 18.156 3.357 ( 1.256 8.380 -6.912) 10.935 3.766 ( 13.183 13.911 -2.809) 19.370 5.206 ( 11.731 16.050 9.186) 21.900 5.574 ( -3.887 18.732 -9.523) 21.370 6.394 ( -0.139 -5.142 2.234) 5.608 6.562 ( 4.799 -1.367 5.014) 7.074 7.087 ( -4.675 -5.116 -3.447) 7.740 8.390 ( -0.944 -7.177 8.527) 11.185 8.590 ( -4.034 -2.133 -3.697) 5.872 9.196 ( -12.327 -6.555 -9.098) 16.664 10.986 ( -1.574 -11.845 -0.352) 11.954 11.574 ( -2.823 -11.443 -4.085) 12.474 11.795 ( -5.322 -9.655 2.989) 11.423 12.946 ( 3.547 3.474 0.064) 4.965 15.388 ( 6.576 -12.763 -5.369) 15.328 15.539 ( -10.167 6.963 7.486) 14.418 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 7.507 9.597 1.922) 12.335 3.359 ( 1.102 17.725 7.150) 19.144 3.444 ( 11.061 3.745 -8.741) 14.587 4.100 ( 9.965 14.869 -2.727) 18.106 5.557 ( 10.748 8.827 5.270) 14.873 5.655 ( -0.599 12.698 -3.334) 13.142 6.316 ( -2.565 -9.052 1.704) 9.562 6.633 ( 1.364 -0.988 2.546) 3.052 6.947 ( -5.622 -4.098 1.258) 7.070 8.345 ( 0.033 -4.647 2.951) 5.505 8.456 ( -4.814 -2.642 -6.267) 8.332 8.977 ( -4.141 -4.508 -1.374) 6.274 10.819 ( -5.346 -7.994 0.637) 9.638 11.385 ( -6.699 -9.766 -1.358) 11.920 11.695 ( -0.085 -3.601 0.294) 3.614 13.072 ( 4.774 8.111 -0.188) 9.414 15.277 ( -9.932 -4.631 4.331) 11.783 15.450 ( 1.827 -10.135 -3.519) 10.883 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 4.657 8.324 -3.936) 10.318 3.435 ( -0.564 5.054 4.779) 6.979 3.756 ( 9.006 17.657 -5.269) 20.509 4.357 ( 2.443 17.692 -2.590) 18.047 5.687 ( -0.576 6.475 -0.788) 6.548 5.854 ( 11.373 -1.323 5.418) 12.667 6.105 ( -10.972 -8.884 -7.200) 15.848 6.569 ( -6.180 -2.109 1.365) 6.671 6.858 ( 0.423 -6.674 4.066) 7.826 8.345 ( 0.729 2.385 0.115) 2.496 8.403 ( 4.445 -4.693 2.535) 6.944 8.920 ( 1.167 -4.063 0.025) 4.227 10.700 ( -2.886 -1.377 1.864) 3.701 11.150 ( -9.814 -8.501 -0.138) 12.985 11.681 ( -0.615 0.646 -2.017) 2.206 13.263 ( 5.059 13.633 -0.119) 14.541 15.023 ( -15.373 -4.100 3.555) 16.303 15.376 ( 7.029 -18.279 -3.836) 19.956 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 0.000 11.251 1.068) 11.301 2.826 ( 0.000 7.750 9.890) 12.565 3.415 ( 0.000 14.846 -1.742) 14.948 3.423 ( 0.000 10.518 -2.154) 10.736 5.006 ( 0.000 21.822 8.320) 23.354 5.669 ( -0.000 23.638 -12.530) 26.754 6.422 ( 0.000 -9.709 5.992) 11.409 6.430 ( -0.000 -1.884 -0.116) 1.888 7.115 ( -0.000 -6.999 -11.399) 13.376 8.465 ( 0.000 -15.151 10.197) 18.263 8.664 ( 0.000 9.635 1.927) 9.826 9.502 ( -0.000 -4.911 -10.879) 11.936 10.899 ( -0.000 -16.515 -1.650) 16.597 11.624 ( -0.000 -13.876 -5.927) 15.089 11.964 ( 0.000 -12.584 4.392) 13.329 12.852 ( 0.000 -1.459 1.069) 1.809 15.205 ( -0.000 -6.682 -10.096) 12.107 15.779 ( 0.000 8.772 13.659) 16.233 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 7.890 10.287 2.809) 13.265 2.975 ( 5.690 8.553 4.318) 11.143 3.467 ( -2.309 9.736 -0.114) 10.006 3.664 ( 11.277 9.805 1.399) 15.009 5.266 ( 4.241 17.753 5.208) 18.981 5.817 ( -4.478 21.794 -11.243) 24.928 6.324 ( 0.207 -13.171 7.966) 15.394 6.464 ( 5.177 -2.427 2.934) 6.427 7.035 ( 0.492 -4.122 -8.610) 9.559 8.366 ( -1.188 -7.520 5.805) 9.574 8.705 ( -5.702 6.693 -0.293) 8.797 9.305 ( -10.739 -6.093 -11.930) 17.169 10.804 ( 5.971 -13.836 -1.272) 15.123 11.445 ( -1.216 -15.353 -4.843) 16.145 11.828 ( -5.164 -7.927 5.949) 11.175 12.892 ( 5.138 0.574 0.577) 5.202 15.145 ( 4.081 -8.492 -7.549) 12.074 15.816 ( -8.375 4.861 10.472) 14.263 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 6.871 9.395 5.826) 13.016 3.230 ( 14.101 7.804 -4.693) 16.786 3.531 ( -1.149 9.624 5.030) 10.920 3.994 ( 15.370 9.147 2.549) 18.066 5.510 ( 6.052 10.907 2.497) 12.721 5.871 ( -7.113 16.767 -8.521) 20.108 6.226 ( 1.132 -15.942 10.201) 18.960 6.551 ( 5.591 -2.917 2.206) 6.681 6.970 ( -2.092 -2.454 -5.809) 6.644 8.323 ( -0.266 -1.232 1.425) 1.903 8.586 ( -11.576 1.494 -5.045) 12.716 9.043 ( -8.651 -2.947 -5.263) 10.547 10.761 ( 2.061 -9.547 -1.753) 9.923 11.286 ( 1.252 -14.227 -2.634) 14.523 11.709 ( -3.707 -3.681 5.174) 7.352 13.035 ( 7.960 5.407 0.197) 9.625 15.099 ( 4.504 -11.939 -5.416) 13.862 15.668 ( -15.450 0.877 6.984) 16.978 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 0.000 7.986 1.267) 8.086 3.048 ( 0.000 9.877 6.826) 12.006 3.591 ( -0.000 8.193 -2.158) 8.473 3.627 ( 0.000 5.021 7.767) 9.249 5.414 ( 0.000 15.848 1.757) 15.945 6.037 ( -0.000 21.210 -12.081) 24.409 6.188 ( 0.000 -20.192 14.016) 24.580 6.401 ( 0.000 -1.318 0.864) 1.576 6.978 ( -0.000 -1.031 -6.660) 6.739 8.336 ( 0.000 -2.516 0.890) 2.669 8.828 ( 0.000 6.246 -0.349) 6.256 9.302 ( -0.000 -5.962 -14.887) 16.036 10.599 ( -0.000 -13.075 -0.085) 13.075 11.297 ( -0.000 -14.580 -3.495) 14.993 11.824 ( 0.000 -6.782 6.755) 9.572 12.831 ( 0.000 -1.151 0.537) 1.271 15.030 ( -0.000 -5.180 -5.908) 7.858 15.955 ( 0.000 1.687 8.797) 8.958 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 10.199 6.162 2.437) 12.162 3.184 ( 1.932 10.099 5.300) 11.568 3.636 ( -0.565 6.266 4.166) 7.546 3.822 ( 12.663 4.023 5.211) 14.272 5.561 ( 1.637 10.120 -0.539) 10.266 6.041 ( 0.980 -18.012 11.839) 21.577 6.135 ( -5.382 13.184 -5.666) 15.326 6.442 ( 4.557 -0.972 -0.654) 4.706 6.959 ( -0.238 0.604 -4.426) 4.473 8.327 ( -0.046 1.625 -2.663) 3.121 8.784 ( -10.216 2.290 -4.566) 11.421 9.132 ( -6.305 -2.381 -10.577) 12.542 10.565 ( 7.807 -9.482 -0.851) 12.312 11.136 ( -1.355 -13.119 -1.679) 13.295 11.754 ( -3.487 -4.683 6.805) 8.967 12.910 ( 9.282 0.986 0.237) 9.337 14.965 ( -0.235 -5.537 -4.225) 6.969 15.906 ( -9.086 -0.943 6.266) 11.078 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 0.000 3.990 1.916) 4.426 3.313 ( 0.000 10.241 12.048) 15.813 3.713 ( -0.000 5.824 -2.303) 6.263 3.733 ( 0.000 0.073 10.937) 10.937 5.608 ( 0.000 0.166 1.366) 1.376 5.892 ( 0.000 -15.320 13.981) 20.741 6.314 ( -0.000 14.276 -11.064) 18.061 6.387 ( 0.000 -0.919 1.445) 1.713 6.964 ( -0.000 2.109 -2.383) 3.183 8.335 ( -0.000 2.781 -5.832) 6.461 8.905 ( -0.000 2.806 -2.277) 3.613 9.099 ( -0.000 -2.117 -18.294) 18.417 10.396 ( -0.000 -8.038 1.284) 8.140 11.046 ( -0.000 -9.414 0.100) 9.415 11.765 ( 0.000 -4.326 7.082) 8.298 12.816 ( -0.000 -0.633 0.114) 0.643 14.929 ( -0.000 -2.068 -2.741) 3.434 15.985 ( 0.000 -2.675 4.649) 5.364 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 -0.000 20.617) 20.617 1.421 ( 0.000 -0.000 20.617) 20.617 2.637 ( 0.000 -0.000 44.482) 44.482 2.860 ( -0.000 0.000 -7.466) 7.466 2.860 ( -0.000 0.000 -7.466) 7.466 5.122 ( -0.000 0.000 -23.405) 23.405 6.520 ( 0.000 -0.000 1.056) 1.056 6.520 ( 0.000 -0.000 1.056) 1.056 8.145 ( -0.000 0.000 -2.116) 2.116 8.145 ( -0.000 0.000 -2.116) 2.116 9.410 ( 0.000 -0.000 0.500) 0.500 11.378 ( 0.000 -0.000 3.440) 3.440 11.769 ( 0.000 -0.000 1.712) 1.712 11.769 ( 0.000 -0.000 1.712) 1.712 12.945 ( -0.000 0.000 -1.073) 1.073 12.945 ( -0.000 0.000 -1.073) 1.073 13.004 ( -0.000 0.000 -1.686) 1.686 16.076 ( -0.000 0.000 -0.617) 0.617 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 6.942 4.008 18.634) 20.285 1.763 ( 16.167 9.334 18.420) 26.226 2.646 ( 2.122 1.225 10.598) 10.877 2.921 ( 5.966 3.444 -6.934) 9.774 3.227 ( 22.870 13.204 17.498) 31.679 5.058 ( 1.408 0.813 -22.572) 22.631 6.505 ( -0.996 -0.575 1.066) 1.568 6.511 ( -1.342 -0.775 0.257) 1.571 7.914 ( -18.321 -10.578 0.938) 21.176 8.210 ( 4.832 2.790 -2.390) 6.070 9.438 ( 1.502 0.867 0.305) 1.761 10.481 ( -41.941 -24.215 10.403) 49.534 11.678 ( -7.145 -4.125 1.974) 8.483 12.107 ( 3.274 1.890 -6.972) 7.931 12.834 ( -8.517 -4.917 -0.579) 9.852 12.953 ( 0.122 0.071 -1.261) 1.269 13.652 ( 43.614 25.181 -1.015) 50.372 16.025 ( -2.980 -1.720 -2.596) 4.310 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 13.514 7.802 13.627) 20.717 2.147 ( 11.156 6.441 22.357) 25.802 2.912 ( 19.993 11.543 -10.024) 25.168 3.066 ( 8.368 4.831 -5.694) 11.216 3.876 ( 28.016 16.175 19.235) 37.637 5.044 ( 3.865 2.231 -18.630) 19.157 6.480 ( -0.987 -0.570 -0.233) 1.163 6.484 ( -1.118 -0.646 0.675) 1.457 7.428 ( -22.703 -13.108 6.870) 27.101 8.340 ( 7.206 4.160 -1.986) 8.555 9.441 ( -2.339 -1.351 3.761) 4.631 9.759 ( -25.579 -14.768 0.841) 29.549 11.470 ( -11.512 -6.646 1.741) 13.406 12.033 ( -5.771 -3.332 -5.726) 8.786 12.580 ( -13.027 -7.521 -0.416) 15.047 12.941 ( -0.860 -0.496 -1.132) 1.505 14.493 ( 27.055 15.620 5.723) 31.760 15.970 ( 0.554 0.320 -9.119) 9.141 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 14.590 8.423 8.622) 18.925 2.456 ( 10.741 6.201 18.550) 22.314 3.244 ( 8.583 4.955 -3.949) 10.669 3.359 ( 21.595 12.468 -19.259) 31.507 4.575 ( 27.438 15.841 15.145) 35.116 5.120 ( 7.841 4.527 -10.408) 13.794 6.460 ( -1.044 -0.603 -0.013) 1.205 6.476 ( 0.475 0.274 1.098) 1.228 7.038 ( -13.499 -7.794 10.340) 18.705 8.510 ( 7.970 4.601 -0.944) 9.251 9.211 ( -21.973 -12.686 -3.126) 25.564 9.380 ( -5.710 -3.297 2.045) 6.904 11.186 ( -13.656 -7.884 1.080) 15.805 11.838 ( -10.084 -5.822 -2.752) 11.965 12.285 ( -11.914 -6.879 -1.735) 13.867 12.909 ( -1.567 -0.904 -0.835) 1.992 14.899 ( 7.457 4.305 12.058) 14.817 15.996 ( 4.655 2.688 -13.825) 14.833 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 12.154 7.017 4.190) 14.647 2.767 ( 12.307 7.105 10.595) 17.726 3.418 ( 7.652 4.418 -1.718) 9.002 3.684 ( 12.591 7.269 -22.372) 26.681 5.121 ( 16.437 9.490 0.281) 18.982 5.401 ( 18.836 10.875 9.927) 23.909 6.436 ( -0.946 -0.546 -0.754) 1.327 6.480 ( -1.982 -1.144 0.545) 2.352 6.890 ( -3.115 -1.798 9.596) 10.248 8.681 ( 6.939 4.006 0.446) 8.025 8.704 ( -19.138 -11.049 -11.369) 24.851 9.255 ( -7.370 -4.255 11.480) 14.290 10.879 ( -13.305 -7.682 0.143) 15.364 11.568 ( -12.951 -7.477 -0.259) 14.957 12.051 ( -7.881 -4.550 -4.157) 10.004 12.869 ( -1.648 -0.951 -0.521) 1.973 14.991 ( -1.106 -0.638 10.229) 10.308 16.046 ( 2.957 1.707 -11.604) 12.096 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 7.904 4.563 0.420) 9.136 3.072 ( 12.633 7.293 1.153) 14.633 3.577 ( 6.485 3.744 0.706) 7.521 3.777 ( 2.845 1.643 -20.390) 20.653 5.421 ( 11.647 6.724 0.405) 13.455 5.899 ( 18.504 10.683 14.636) 25.898 6.312 ( -12.282 -7.091 -9.955) 17.327 6.412 ( -0.919 -0.531 -1.267) 1.653 6.912 ( 1.347 0.778 6.136) 6.330 8.361 ( -7.161 -4.135 -4.207) 9.278 8.817 ( 4.756 2.746 1.651) 5.734 9.141 ( -6.458 -3.728 16.313) 17.937 10.602 ( -10.830 -6.253 -0.752) 12.528 11.279 ( -12.075 -6.971 0.155) 13.943 11.889 ( -5.288 -3.053 -5.870) 8.471 12.835 ( -1.151 -0.665 -0.279) 1.358 14.968 ( -2.691 -1.553 6.028) 6.781 16.040 ( -0.436 -0.252 -7.732) 7.748 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.000 12.342 11.975) 17.197 1.723 ( 0.000 20.211 18.488) 27.392 2.669 ( 0.000 -3.667 8.917) 9.642 2.849 ( -0.000 5.351 -5.851) 7.929 3.310 ( 0.000 26.325 18.614) 32.241 4.991 ( -0.000 3.559 -22.556) 22.835 6.497 ( 0.000 -1.718 0.654) 1.839 6.529 ( 0.000 -0.384 0.228) 0.447 8.015 ( -0.000 -11.653 -3.582) 12.191 8.151 ( 0.000 3.347 -0.257) 3.357 9.436 ( 0.000 1.011 0.535) 1.144 10.463 ( -0.000 -52.892 10.996) 54.023 11.728 ( -0.000 -6.375 0.158) 6.377 12.077 ( -0.000 3.701 -5.463) 6.599 12.860 ( -0.000 -8.471 -1.599) 8.621 12.918 ( -0.000 -1.135 -0.003) 1.135 13.666 ( 0.000 53.231 -1.660) 53.257 15.990 ( -0.000 -8.262 -0.754) 8.296 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 2.063 17.024 10.666) 20.195 2.136 ( 10.199 16.220 18.779) 26.828 2.728 ( 8.265 6.420 -5.083) 11.635 2.976 ( 7.246 7.743 -4.711) 11.604 3.770 ( 15.097 25.241 18.584) 34.791 4.979 ( 1.400 6.558 -19.455) 20.578 6.485 ( -0.009 -0.509 0.028) 0.510 6.503 ( -1.853 -1.079 -0.045) 2.145 7.702 ( -17.873 -12.135 0.352) 21.607 8.245 ( 5.524 3.234 -1.278) 6.528 9.436 ( 0.204 -4.217 2.943) 5.146 9.895 ( -15.063 -31.812 4.921) 35.540 11.584 ( -7.264 -7.794 0.522) 10.667 12.042 ( -2.268 -4.150 -4.888) 6.802 12.674 ( -8.810 -11.989 -0.678) 14.893 12.911 ( 0.922 -1.915 -0.607) 2.210 14.368 ( 19.305 40.224 1.038) 44.628 15.892 ( 0.278 -9.088 -3.216) 9.645 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 7.695 16.939 7.434) 20.035 2.456 ( 5.780 9.927 20.684) 23.659 3.035 ( 18.228 10.359 -15.799) 26.252 3.192 ( 9.341 12.270 -5.258) 16.293 4.384 ( 21.822 21.812 15.009) 34.310 5.043 ( 4.102 8.859 -12.953) 16.220 6.461 ( -1.269 -1.581 0.491) 2.086 6.494 ( 0.419 1.858 -0.285) 1.926 7.292 ( -18.551 -6.736 6.838) 20.887 8.385 ( 8.426 2.007 -1.566) 8.802 9.319 ( -7.797 -23.437 9.562) 26.486 9.441 ( -10.667 -4.654 -9.075) 14.758 11.353 ( -11.627 -6.741 1.095) 13.484 11.904 ( -6.003 -6.570 -2.910) 9.364 12.367 ( -10.702 -14.026 -0.670) 17.655 12.905 ( 0.457 -1.311 -0.823) 1.614 14.932 ( 7.745 21.044 9.364) 24.301 15.834 ( 5.600 -6.660 -10.654) 13.756 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 8.073 15.833 3.643) 18.142 2.713 ( 7.179 8.990 13.737) 17.918 3.311 ( 10.860 5.303 -7.517) 14.232 3.505 ( 12.373 15.024 -13.518) 23.697 4.967 ( 17.487 17.015 2.880) 24.569 5.239 ( 13.204 9.595 2.977) 16.592 6.437 ( -0.583 -1.017 0.214) 1.192 6.528 ( -0.390 3.550 -0.018) 3.571 7.026 ( -10.950 -1.986 10.053) 14.997 8.548 ( 9.724 -0.003 -1.112) 9.787 8.856 ( -17.776 -16.220 -9.026) 25.701 9.295 ( -3.018 -9.471 6.723) 12.000 11.075 ( -14.654 -4.641 1.128) 15.412 11.690 ( -10.309 -8.020 0.092) 13.062 12.079 ( -6.738 -11.975 -2.929) 14.049 12.897 ( -0.734 0.961 -0.700) 1.397 15.111 ( -5.219 7.257 12.404) 15.289 15.876 ( 9.522 -4.942 -13.559) 17.290 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 4.853 14.284 -0.323) 15.089 2.966 ( 8.621 8.216 5.175) 12.985 3.496 ( 8.169 4.030 -3.926) 9.919 3.734 ( 3.797 12.552 -12.978) 18.450 5.308 ( 10.621 11.263 -2.990) 15.767 5.692 ( 21.402 8.408 13.072) 26.450 6.384 ( -5.255 -3.789 -4.048) 7.639 6.495 ( -6.630 3.283 -2.654) 7.860 6.944 ( -2.263 -0.170 8.937) 9.221 8.439 ( -10.903 -7.697 -8.118) 15.622 8.695 ( 8.712 -3.290 1.524) 9.437 9.186 ( -1.562 -10.354 11.148) 15.294 10.793 ( -14.620 -2.133 0.963) 14.806 11.412 ( -12.571 -8.404 1.673) 15.214 11.886 ( -3.299 -8.113 -5.389) 10.283 12.897 ( -2.122 4.528 -0.474) 5.022 15.063 ( -7.370 0.615 8.257) 11.085 15.921 ( 6.675 -6.616 -9.918) 13.664 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 0.000 13.696 2.754) 13.970 2.330 ( 0.000 25.074 19.985) 32.064 2.706 ( -0.000 6.736 -6.565) 9.406 2.984 ( 0.000 10.637 -2.283) 10.879 3.972 ( 0.000 28.075 16.160) 32.394 4.989 ( -0.000 11.041 -18.080) 21.184 6.481 ( -0.000 0.231 -0.364) 0.431 6.507 ( -0.000 -1.573 -0.646) 1.701 7.676 ( -0.000 -17.587 -8.710) 19.626 8.271 ( 0.000 8.106 1.911) 8.328 9.358 ( 0.000 -16.882 8.744) 19.012 9.751 ( -0.000 -20.839 1.894) 20.925 11.529 ( -0.000 -13.062 -1.576) 13.157 12.002 ( -0.000 -5.624 -3.726) 6.746 12.607 ( -0.000 -15.561 -1.928) 15.680 12.901 ( 0.000 -1.085 1.112) 1.554 14.626 ( 0.000 42.289 -2.194) 42.346 15.784 ( -0.000 -11.544 2.124) 11.738 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 6.030 14.744 1.928) 16.045 2.602 ( 0.245 12.485 20.272) 23.809 2.866 ( 9.290 17.466 -13.909) 24.183 3.157 ( 7.330 12.355 -1.611) 14.455 4.387 ( 10.824 25.483 13.788) 30.930 5.068 ( 0.975 14.501 -14.598) 20.599 6.469 ( -1.432 -1.717 -0.419) 2.275 6.497 ( 0.869 1.515 -0.466) 1.808 7.427 ( -6.108 -13.555 -6.052) 16.052 8.349 ( -0.448 7.163 1.795) 7.398 9.167 ( -1.009 -27.233 13.646) 30.478 9.541 ( -8.943 -5.121 -8.117) 13.118 11.375 ( -1.864 -12.913 -0.947) 13.081 11.901 ( -2.944 -7.341 -2.707) 8.360 12.369 ( -7.654 -17.411 -0.798) 19.036 12.889 ( -0.123 -0.527 0.561) 0.779 15.062 ( 8.552 27.585 -1.560) 28.922 15.681 ( -0.900 -9.749 2.471) 10.097 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 8.339 14.458 2.115) 16.824 2.794 ( 3.496 12.099 10.764) 16.568 3.145 ( 9.871 10.863 -9.414) 17.438 3.451 ( 10.712 16.356 -2.615) 19.726 4.887 ( 15.570 20.679 8.740) 27.321 5.205 ( 3.329 14.325 -7.776) 16.636 6.438 ( -0.529 -0.975 0.317) 1.154 6.545 ( 2.028 3.086 0.205) 3.698 7.198 ( -7.954 -6.728 0.880) 10.455 8.424 ( 3.263 2.802 0.698) 4.358 8.880 ( -7.950 -22.508 3.651) 24.148 9.303 ( -8.419 -6.735 -4.664) 11.747 11.201 ( -6.071 -9.622 0.194) 11.379 11.748 ( -5.436 -7.986 -1.074) 9.720 12.056 ( -8.183 -15.721 -0.454) 17.729 12.900 ( 0.984 1.215 -0.100) 1.566 15.358 ( -2.248 14.699 8.157) 16.961 15.594 ( 5.444 -10.340 -7.693) 13.991 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 7.283 12.492 -1.233) 14.513 3.026 ( 3.056 16.227 6.693) 17.817 3.353 ( 9.747 4.183 -6.085) 12.228 3.769 ( 7.361 17.271 -3.616) 19.120 5.285 ( 6.889 16.976 -5.371) 19.091 5.474 ( 16.576 8.471 9.001) 20.677 6.411 ( -2.274 -2.104 -1.011) 3.259 6.597 ( -1.271 3.815 -1.869) 4.434 7.038 ( -5.975 -3.573 5.853) 9.095 8.488 ( -2.590 -4.636 -9.687) 11.047 8.544 ( -2.273 -10.198 4.738) 11.472 9.125 ( -2.304 -10.667 4.399) 11.766 10.979 ( -10.236 -6.922 0.987) 12.396 11.545 ( -10.092 -7.397 1.684) 12.625 11.826 ( -2.998 -10.173 -3.086) 11.045 12.948 ( 1.415 4.578 -0.285) 4.801 15.301 ( -14.069 3.285 10.049) 17.599 15.641 ( 11.566 -9.797 -10.712) 18.560 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 0.000 13.731 -1.605) 13.825 2.716 ( 0.000 5.497 3.831) 6.700 3.017 ( 0.000 25.659 3.281) 25.868 3.200 ( 0.000 11.550 -0.302) 11.554 4.592 ( 0.000 24.781 11.864) 27.474 5.182 ( -0.000 19.732 -14.591) 24.541 6.466 ( -0.000 -1.940 -0.577) 2.023 6.494 ( -0.000 0.695 -0.329) 0.769 7.275 ( -0.000 -14.280 -12.468) 18.957 8.473 ( 0.000 10.305 2.459) 10.594 8.952 ( 0.000 -27.344 15.705) 31.534 9.553 ( -0.000 -4.086 -8.487) 9.419 11.220 ( -0.000 -16.498 -2.062) 16.626 11.836 ( -0.000 -9.429 -2.614) 9.784 12.268 ( -0.000 -16.882 0.014) 16.882 12.885 ( 0.000 -1.444 1.343) 1.972 15.154 ( -0.000 12.685 -12.471) 17.788 15.695 ( 0.000 1.210 14.946) 14.995 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 7.997 13.461 -0.298) 15.660 2.812 ( 4.401 7.902 -3.081) 9.555 3.229 ( -1.558 16.226 5.271) 17.131 3.425 ( 9.863 14.731 2.752) 17.940 4.922 ( 7.613 20.553 9.238) 23.785 5.334 ( -0.975 21.554 -12.996) 25.188 6.436 ( -0.662 -1.672 0.246) 1.815 6.523 ( 2.864 0.156 1.107) 3.074 7.131 ( 1.405 -9.800 -10.260) 14.257 8.523 ( -5.336 7.236 4.097) 9.880 8.750 ( -0.941 -21.858 10.512) 24.273 9.386 ( -9.561 -5.692 -10.147) 15.059 11.088 ( 3.112 -15.071 -1.313) 15.445 11.704 ( -1.916 -11.809 -2.696) 12.264 12.051 ( -7.061 -13.722 2.446) 15.625 12.889 ( 1.483 -0.052 0.786) 1.679 15.240 ( 8.793 -2.259 -12.913) 15.785 15.729 ( -8.124 6.967 15.087) 18.497 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 0.000 12.352 -1.752) 12.476 2.852 ( -0.000 10.116 -4.487) 11.067 3.410 ( 0.000 9.806 -0.187) 9.808 3.485 ( 0.000 14.462 14.978) 20.820 5.083 ( 0.000 18.964 6.378) 20.008 5.532 ( -0.000 24.654 -14.004) 28.353 6.431 ( -0.000 -1.505 0.350) 1.545 6.468 ( 0.000 -5.285 2.870) 6.014 6.998 ( -0.000 -5.158 -11.252) 12.377 8.580 ( 0.000 -19.762 12.126) 23.185 8.679 ( 0.000 8.917 0.817) 8.955 9.381 ( -0.000 -6.487 -12.512) 14.093 10.885 ( -0.000 -16.003 -0.985) 16.033 11.580 ( -0.000 -14.597 -2.667) 14.839 12.009 ( 0.000 -10.519 4.249) 11.345 12.862 ( 0.000 -1.677 0.867) 1.887 15.098 ( -0.000 -3.668 -10.669) 11.282 15.918 ( 0.000 5.882 13.327) 14.567 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.000 -0.000 14.360) 14.360 1.601 ( 0.000 -0.000 14.360) 14.360 2.788 ( -0.000 0.000 -6.312) 6.312 2.788 ( -0.000 0.000 -6.312) 6.312 3.051 ( 0.000 -0.000 35.456) 35.456 4.880 ( -0.000 0.000 -22.835) 22.835 6.529 ( 0.000 -0.000 0.733) 0.733 6.529 ( 0.000 -0.000 0.733) 0.733 8.126 ( -0.000 0.000 -1.451) 1.451 8.126 ( -0.000 0.000 -1.451) 1.451 9.417 ( 0.000 -0.000 0.784) 0.784 11.406 ( 0.000 -0.000 2.046) 2.046 11.784 ( 0.000 -0.000 1.175) 1.175 11.784 ( 0.000 -0.000 1.175) 1.175 12.935 ( -0.000 0.000 -0.745) 0.745 12.935 ( -0.000 0.000 -0.745) 0.745 12.989 ( -0.000 0.000 -1.093) 1.093 16.071 ( -0.000 0.000 -0.426) 0.426 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 6.202 3.581 13.622) 15.390 1.912 ( 18.210 10.514 10.190) 23.366 2.680 ( -1.824 -1.053 -0.765) 2.240 2.854 ( 6.247 3.607 -5.894) 9.315 3.449 ( 20.851 12.038 22.051) 32.649 4.836 ( 2.593 1.497 -19.432) 19.661 6.513 ( -1.637 -0.945 -0.005) 1.891 6.515 ( -1.016 -0.586 0.957) 1.514 7.928 ( -16.023 -9.251 1.785) 18.588 8.186 ( 4.708 2.718 -2.210) 5.868 9.442 ( 1.487 0.859 0.374) 1.757 10.557 ( -42.178 -24.352 4.686) 48.928 11.698 ( -7.025 -4.056 1.852) 8.321 12.053 ( 2.462 1.421 -3.735) 4.694 12.831 ( -8.343 -4.817 0.088) 9.634 12.940 ( 0.048 0.028 -1.241) 1.242 13.646 ( 44.425 25.649 -0.285) 51.298 16.004 ( -4.824 -2.785 -1.657) 5.812 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 11.896 6.868 10.163) 17.088 2.357 ( 13.767 7.948 18.073) 24.070 2.779 ( 14.150 8.170 -14.965) 22.156 3.013 ( 8.958 5.172 -4.469) 11.268 4.056 ( 26.357 15.217 13.420) 33.262 4.879 ( 6.319 3.648 -11.809) 13.881 6.479 ( -0.781 -0.451 -0.013) 0.902 6.491 ( -1.348 -0.778 0.804) 1.751 7.504 ( -20.313 -11.728 7.896) 24.748 8.318 ( 7.475 4.316 -2.373) 8.952 9.456 ( -1.213 -0.701 -0.798) 1.613 9.766 ( -28.980 -16.732 0.386) 33.465 11.490 ( -11.679 -6.743 2.036) 13.638 11.990 ( -5.282 -3.049 -2.635) 6.644 12.581 ( -13.271 -7.662 0.536) 15.333 12.928 ( -0.758 -0.438 -1.361) 1.618 14.549 ( 31.169 17.996 5.034) 36.341 15.885 ( -3.290 -1.899 -7.356) 8.279 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 12.934 7.467 5.852) 16.040 2.633 ( 7.669 4.428 15.326) 17.700 3.157 ( 20.845 12.035 -19.424) 30.930 3.211 ( 9.352 5.399 -2.297) 11.041 4.665 ( 23.477 13.554 0.201) 27.109 5.076 ( 13.728 7.926 3.738) 16.286 6.462 ( -1.409 -0.814 0.303) 1.655 6.487 ( 0.951 0.549 0.923) 1.435 7.151 ( -13.061 -7.541 11.744) 19.114 8.495 ( 8.593 4.961 -1.863) 10.096 9.105 ( -23.404 -13.512 -13.956) 30.415 9.459 ( -4.646 -2.682 9.803) 11.175 11.201 ( -14.070 -8.123 1.720) 16.337 11.823 ( -9.061 -5.231 -0.170) 10.464 12.272 ( -13.192 -7.616 -0.814) 15.255 12.899 ( -1.377 -0.795 -1.186) 1.983 15.025 ( 8.532 4.926 12.612) 16.003 15.849 ( 3.844 2.219 -14.881) 15.529 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 0.000 9.647 3.666) 10.320 1.883 ( 0.000 21.185 12.262) 24.477 2.692 ( -0.000 -3.634 -1.667) 3.998 2.806 ( -0.000 6.263 -2.209) 6.642 3.517 ( 0.000 22.502 17.841) 28.717 4.782 ( -0.000 4.441 -16.354) 16.946 6.504 ( 0.000 -2.054 0.732) 2.181 6.529 ( -0.000 -0.754 -0.246) 0.794 7.980 ( -0.000 -13.680 -3.237) 14.058 8.153 ( 0.000 4.214 0.759) 4.282 9.441 ( 0.000 1.301 0.475) 1.385 10.547 ( -0.000 -50.884 5.611) 51.192 11.725 ( -0.000 -7.087 -0.689) 7.120 12.038 ( -0.000 2.812 -2.257) 3.606 12.846 ( -0.000 -8.902 -1.236) 8.988 12.921 ( 0.000 -0.642 0.552) 0.847 13.652 ( 0.000 52.707 -0.942) 52.716 15.987 ( -0.000 -7.957 0.059) 7.957 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 4.663 13.164 4.029) 14.535 2.290 ( 13.248 21.995 9.601) 27.413 2.661 ( 1.909 1.139 -5.617) 6.041 2.941 ( 6.253 8.909 -1.908) 11.050 3.933 ( 14.455 23.771 10.263) 29.653 4.817 ( 2.961 7.173 -9.949) 12.617 6.487 ( -0.257 -0.844 0.159) 0.896 6.502 ( -1.371 -1.462 -0.098) 2.006 7.704 ( -12.316 -14.849 0.167) 19.293 8.236 ( 3.910 4.437 -0.486) 5.934 9.455 ( 0.407 -0.755 0.916) 1.255 9.930 ( -18.670 -34.331 1.751) 39.118 11.587 ( -6.010 -8.714 0.180) 10.587 12.009 ( -2.281 -4.014 -1.650) 4.903 12.670 ( -7.945 -12.595 -0.208) 14.894 12.907 ( 0.013 -1.250 -0.224) 1.270 14.375 ( 22.127 40.646 0.347) 46.280 15.870 ( -3.126 -8.677 -1.056) 9.284 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 8.356 14.387 3.224) 16.946 2.651 ( 3.058 7.661 15.716) 17.749 2.857 ( 19.238 13.547 -16.987) 29.020 3.158 ( 7.758 12.021 -1.644) 14.401 4.472 ( 18.734 21.675 -0.166) 28.650 4.973 ( 8.774 8.995 1.585) 12.665 6.465 ( -0.961 -1.731 0.416) 2.023 6.494 ( 0.700 1.617 0.204) 1.774 7.362 ( -13.957 -8.984 6.710) 17.904 8.367 ( 7.824 2.684 -1.866) 8.479 9.297 ( -21.347 -16.554 -11.405) 29.322 9.452 ( 0.215 -10.814 8.839) 13.969 11.365 ( -11.042 -7.351 1.112) 13.312 11.888 ( -5.342 -6.243 -0.114) 8.217 12.364 ( -11.055 -14.694 0.116) 18.389 12.896 ( 0.133 -0.876 -0.768) 1.173 15.017 ( 13.060 22.300 6.814) 26.726 15.737 ( -0.324 -7.020 -7.974) 10.629 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -0.000 13.026 -4.334) 13.728 2.473 ( 0.000 28.909 1.292) 28.938 2.655 ( 0.000 2.049 3.459) 4.020 2.980 ( 0.000 10.763 1.551) 10.874 4.099 ( 0.000 27.986 5.877) 28.596 4.849 ( -0.000 10.417 -6.975) 12.537 6.480 ( -0.000 -0.401 -0.031) 0.402 6.500 ( -0.000 -1.660 -0.798) 1.841 7.588 ( -0.000 -20.530 -8.486) 22.215 8.293 ( 0.000 8.558 2.350) 8.875 9.427 ( 0.000 -7.169 4.832) 8.645 9.765 ( -0.000 -29.520 0.754) 29.530 11.510 ( -0.000 -13.406 -1.983) 13.552 11.980 ( -0.000 -5.762 -0.598) 5.793 12.590 ( -0.000 -15.494 -1.305) 15.549 12.914 ( 0.000 -0.904 1.360) 1.633 14.595 ( 0.000 39.993 -3.911) 40.184 15.821 ( 0.000 -8.222 5.081) 9.665 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 0.000 -0.000 5.321) 5.321 1.704 ( 0.000 -0.000 5.321) 5.321 2.740 ( -0.000 0.000 -2.612) 2.612 2.740 ( -0.000 0.000 -2.612) 2.612 3.323 ( 0.000 -0.000 15.424) 15.424 4.694 ( -0.000 0.000 -11.228) 11.228 6.534 ( 0.000 -0.000 0.263) 0.263 6.534 ( 0.000 -0.000 0.263) 0.263 8.116 ( -0.000 0.000 -0.516) 0.516 8.116 ( -0.000 0.000 -0.516) 0.516 9.423 ( 0.000 -0.000 0.360) 0.360 11.420 ( 0.000 -0.000 0.668) 0.668 11.792 ( 0.000 -0.000 0.418) 0.418 11.792 ( 0.000 -0.000 0.418) 0.418 12.930 ( -0.000 0.000 -0.267) 0.267 12.930 ( -0.000 0.000 -0.267) 0.267 12.982 ( -0.000 0.000 -0.376) 0.376 16.068 ( -0.000 0.000 -0.152) 0.152 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 6.693 3.864 5.847) 9.691 1.957 ( 19.171 11.068 -1.615) 22.196 2.674 ( -2.957 -1.707 0.748) 3.495 2.808 ( 6.098 3.520 -2.597) 7.505 3.599 ( 18.691 10.791 4.109) 21.970 4.707 ( 3.573 2.063 -3.351) 5.315 6.511 ( -1.787 -1.032 -0.436) 2.109 6.524 ( -0.896 -0.518 0.669) 1.232 7.950 ( -13.833 -7.987 2.611) 16.185 8.166 ( 4.291 2.477 -1.635) 5.218 9.444 ( 1.318 0.761 -0.018) 1.523 10.578 ( -42.844 -24.736 -0.523) 49.475 11.714 ( -6.671 -3.851 1.401) 7.829 12.030 ( 2.151 1.242 -0.741) 2.592 12.836 ( -8.056 -4.651 0.715) 9.330 12.929 ( -0.190 -0.110 -0.994) 1.018 13.646 ( 45.097 26.037 0.332) 52.075 15.991 ( -6.105 -3.525 -0.840) 7.100 =================== 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 3/60750 10.0 870.498 870.498 8905.936 -0.000 0.000 -0.000 3/60750 20.0 770.136 770.136 1792.084 -0.000 0.000 0.000 3/60750 30.0 407.243 407.243 513.894 -0.000 0.000 0.000 3/60750 40.0 215.965 215.965 212.320 -0.000 0.000 0.000 3/60750 50.0 128.388 128.388 110.807 -0.000 0.000 0.000 3/60750 60.0 85.872 85.872 68.156 -0.000 0.000 0.000 3/60750 70.0 62.668 62.668 46.949 -0.000 0.000 0.000 3/60750 80.0 48.613 48.613 34.970 -0.000 0.000 0.000 3/60750 90.0 39.392 39.392 27.527 -0.000 0.000 0.000 3/60750 100.0 32.968 32.968 22.558 -0.000 0.000 0.000 3/60750 110.0 28.282 28.282 19.051 0.000 0.000 0.000 3/60750 120.0 24.738 24.738 16.465 0.000 0.000 0.000 3/60750 130.0 21.977 21.977 14.492 0.000 0.000 0.000 3/60750 140.0 19.774 19.774 12.941 0.000 0.000 0.000 3/60750 150.0 17.978 17.978 11.694 0.000 0.000 0.000 3/60750 160.0 16.490 16.490 10.670 0.000 0.000 0.000 3/60750 170.0 15.236 15.236 9.815 0.000 0.000 0.000 3/60750 180.0 14.167 14.167 9.092 0.000 0.000 0.000 3/60750 190.0 13.244 13.244 8.471 0.000 0.000 0.000 3/60750 200.0 12.440 12.440 7.933 0.000 0.000 0.000 3/60750 210.0 11.731 11.731 7.461 0.000 0.000 0.000 3/60750 220.0 11.104 11.104 7.045 0.000 0.000 0.000 3/60750 230.0 10.543 10.543 6.675 0.000 0.000 0.000 3/60750 240.0 10.038 10.038 6.343 0.000 0.000 0.000 3/60750 250.0 9.582 9.582 6.045 0.000 0.000 0.000 3/60750 260.0 9.168 9.168 5.774 0.000 0.000 0.000 3/60750 270.0 8.789 8.789 5.527 0.000 0.000 0.000 3/60750 280.0 8.442 8.442 5.302 0.000 0.000 0.000 3/60750 290.0 8.122 8.122 5.095 0.000 0.000 0.000 3/60750 300.0 7.827 7.827 4.904 0.000 0.000 0.000 3/60750 310.0 7.553 7.553 4.727 0.000 0.000 0.000 3/60750 320.0 7.298 7.298 4.563 0.000 0.000 0.000 3/60750 330.0 7.061 7.061 4.411 0.000 0.000 0.000 3/60750 340.0 6.839 6.839 4.269 0.000 0.000 0.000 3/60750 350.0 6.631 6.631 4.136 0.000 0.000 0.000 3/60750 360.0 6.436 6.436 4.011 0.000 0.000 0.000 3/60750 370.0 6.252 6.252 3.894 0.000 0.000 0.000 3/60750 380.0 6.079 6.079 3.783 0.000 0.000 0.000 3/60750 390.0 5.915 5.915 3.679 0.000 0.000 0.000 3/60750 400.0 5.760 5.760 3.581 0.000 0.000 0.000 3/60750 410.0 5.614 5.614 3.488 0.000 0.000 0.000 3/60750 420.0 5.474 5.474 3.399 0.000 0.000 0.000 3/60750 430.0 5.342 5.342 3.316 0.000 0.000 0.000 3/60750 440.0 5.216 5.216 3.236 0.000 0.000 0.000 3/60750 450.0 5.096 5.096 3.160 0.000 0.000 0.000 3/60750 460.0 4.981 4.981 3.088 0.000 0.000 0.000 3/60750 470.0 4.872 4.872 3.019 0.000 0.000 0.000 3/60750 480.0 4.767 4.767 2.953 0.000 0.000 0.000 3/60750 490.0 4.667 4.667 2.890 0.000 0.000 0.000 3/60750 500.0 4.571 4.571 2.830 0.000 0.000 0.000 3/60750 510.0 4.479 4.479 2.772 0.000 0.000 0.000 3/60750 520.0 4.391 4.391 2.717 0.000 0.000 0.000 3/60750 530.0 4.306 4.306 2.663 0.000 0.000 0.000 3/60750 540.0 4.224 4.224 2.612 0.000 0.000 0.000 3/60750 550.0 4.146 4.146 2.563 0.000 0.000 0.000 3/60750 560.0 4.070 4.070 2.516 0.000 0.000 0.000 3/60750 570.0 3.997 3.997 2.470 0.000 0.000 0.000 3/60750 580.0 3.927 3.927 2.426 0.000 0.000 0.000 3/60750 590.0 3.859 3.859 2.384 0.000 0.000 0.000 3/60750 600.0 3.794 3.794 2.343 0.000 0.000 0.000 3/60750 610.0 3.730 3.730 2.303 0.000 0.000 0.000 3/60750 620.0 3.669 3.669 2.265 0.000 0.000 0.000 3/60750 630.0 3.610 3.610 2.228 0.000 0.000 0.000 3/60750 640.0 3.553 3.553 2.193 0.000 0.000 0.000 3/60750 650.0 3.497 3.497 2.158 0.000 0.000 0.000 3/60750 660.0 3.444 3.444 2.124 0.000 0.000 0.000 3/60750 670.0 3.391 3.391 2.092 0.000 0.000 0.000 3/60750 680.0 3.341 3.341 2.061 0.000 0.000 0.000 3/60750 690.0 3.292 3.292 2.030 0.000 0.000 0.000 3/60750 700.0 3.244 3.244 2.000 0.000 0.000 0.000 3/60750 710.0 3.198 3.198 1.972 0.000 0.000 0.000 3/60750 720.0 3.153 3.153 1.944 0.000 0.000 0.000 3/60750 730.0 3.109 3.109 1.917 0.000 0.000 0.000 3/60750 740.0 3.067 3.067 1.890 0.000 0.000 0.000 3/60750 750.0 3.026 3.026 1.865 0.000 0.000 0.000 3/60750 760.0 2.985 2.985 1.840 0.000 0.000 0.000 3/60750 770.0 2.946 2.946 1.815 0.000 0.000 0.000 3/60750 780.0 2.908 2.908 1.792 0.000 0.000 0.000 3/60750 790.0 2.871 2.871 1.769 0.000 0.000 0.000 3/60750 800.0 2.835 2.835 1.746 0.000 0.000 0.000 3/60750 810.0 2.800 2.800 1.724 0.000 0.000 0.000 3/60750 820.0 2.765 2.765 1.703 0.000 0.000 0.000 3/60750 830.0 2.732 2.732 1.682 0.000 0.000 0.000 3/60750 840.0 2.699 2.699 1.662 0.000 0.000 0.000 3/60750 850.0 2.667 2.667 1.642 0.000 0.000 0.000 3/60750 860.0 2.636 2.636 1.623 0.000 0.000 0.000 3/60750 870.0 2.605 2.605 1.604 0.000 0.000 0.000 3/60750 880.0 2.575 2.575 1.585 0.000 0.000 0.000 3/60750 890.0 2.546 2.546 1.567 0.000 0.000 0.000 3/60750 900.0 2.518 2.518 1.549 0.000 0.000 0.000 3/60750 910.0 2.490 2.490 1.532 0.000 0.000 0.000 3/60750 920.0 2.463 2.463 1.515 0.000 0.000 0.000 3/60750 930.0 2.436 2.436 1.499 0.000 0.000 0.000 3/60750 940.0 2.410 2.410 1.483 0.000 0.000 0.000 3/60750 950.0 2.384 2.384 1.467 0.000 0.000 0.000 3/60750 960.0 2.359 2.359 1.452 0.000 0.000 0.000 3/60750 970.0 2.335 2.335 1.436 0.000 0.000 0.000 3/60750 980.0 2.311 2.311 1.422 0.000 0.000 0.000 3/60750 990.0 2.287 2.287 1.407 0.000 0.000 0.000 3/60750 1000.0 2.265 2.265 1.393 0.000 0.000 0.000 3/60750 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:59:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|