----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:38:18]------------------------- 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: [1 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fm-3m (225) Number of symmetry operations in supercell: 192 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 3.168408880000000 3.168408880000000 b 3.168408880000000 0.000000000000000 3.168408880000000 c 3.168408880000000 3.168408880000000 0.000000000000000 Atomic positions (fractional): *1 H 0.24451211890097 0.24451211890097 0.75548788109903 1.008 2 H 0.24451211890097 0.75548788109903 0.24451211890097 1.008 3 H 0.75548788109903 0.24451211890097 0.75548788109903 1.008 4 H 0.75548788109903 0.75548788109903 0.24451211890097 1.008 5 H 0.24451211890097 0.75548788109903 0.75548788109903 1.008 6 H 0.75548788109903 0.24451211890097 0.24451211890097 1.008 *7 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 8 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 *9 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.336817760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.336817760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.336817760000000 Atomic positions (fractional): *1 H 0.50000000000000 0.00000000000000 0.74451211890097 1.008 > 1 2 H 0.50000000000000 0.74451211890097 0.00000000000000 1.008 > 2 3 H 0.50000000000000 0.25548788109903 0.00000000000000 1.008 > 3 4 H 0.00000000000000 0.00000000000000 0.75548788109903 1.008 > 4 5 H 0.75548788109903 0.00000000000000 0.00000000000000 1.008 > 5 6 H 0.24451211890097 0.00000000000000 0.00000000000000 1.008 > 6 7 H 0.50000000000000 0.50000000000000 0.24451211890097 1.008 > 1 8 H 0.50000000000000 0.24451211890097 0.50000000000000 1.008 > 2 9 H 0.50000000000000 0.75548788109903 0.50000000000000 1.008 > 3 10 H 0.00000000000000 0.50000000000000 0.25548788109903 1.008 > 4 11 H 0.75548788109903 0.50000000000000 0.50000000000000 1.008 > 5 12 H 0.24451211890097 0.50000000000000 0.50000000000000 1.008 > 6 13 H 0.00000000000000 0.00000000000000 0.24451211890097 1.008 > 1 14 H 0.00000000000000 0.74451211890097 0.50000000000000 1.008 > 2 15 H 0.00000000000000 0.25548788109903 0.50000000000000 1.008 > 3 16 H 0.50000000000000 0.00000000000000 0.25548788109903 1.008 > 4 17 H 0.25548788109903 0.00000000000000 0.50000000000000 1.008 > 5 18 H 0.74451211890097 0.00000000000000 0.50000000000000 1.008 > 6 19 H 0.00000000000000 0.50000000000000 0.74451211890097 1.008 > 1 20 H 0.00000000000000 0.24451211890097 0.00000000000000 1.008 > 2 21 H 0.00000000000000 0.75548788109903 0.00000000000000 1.008 > 3 22 H 0.50000000000000 0.50000000000000 0.75548788109903 1.008 > 4 23 H 0.25548788109903 0.50000000000000 0.00000000000000 1.008 > 5 24 H 0.74451211890097 0.50000000000000 0.00000000000000 1.008 > 6 *25 Mg 0.25000000000000 0.25000000000000 0.75000000000000 24.305 > 7 26 Mg 0.25000000000000 0.75000000000000 0.75000000000000 24.305 > 8 27 Mg 0.25000000000000 0.75000000000000 0.25000000000000 24.305 > 7 28 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 > 8 29 Mg 0.75000000000000 0.25000000000000 0.25000000000000 24.305 > 7 30 Mg 0.75000000000000 0.75000000000000 0.25000000000000 24.305 > 8 31 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 > 7 32 Mg 0.75000000000000 0.25000000000000 0.75000000000000 24.305 > 8 *33 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 9 34 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 9 35 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 9 36 Fe 0.50000000000000 0.50000000000000 0.00000000000000 55.845 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.336817760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.336817760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.336817760000000 Atomic positions (fractional): *1 H 0.50000000000000 0.00000000000000 0.74451211890097 1.008 > 1 2 H 0.50000000000000 0.74451211890097 0.00000000000000 1.008 > 2 3 H 0.50000000000000 0.25548788109903 0.00000000000000 1.008 > 3 4 H 0.00000000000000 0.00000000000000 0.75548788109903 1.008 > 4 5 H 0.75548788109903 0.00000000000000 0.00000000000000 1.008 > 5 6 H 0.24451211890097 0.00000000000000 0.00000000000000 1.008 > 6 7 H 0.50000000000000 0.50000000000000 0.24451211890097 1.008 > 1 8 H 0.50000000000000 0.24451211890097 0.50000000000000 1.008 > 2 9 H 0.50000000000000 0.75548788109903 0.50000000000000 1.008 > 3 10 H 0.00000000000000 0.50000000000000 0.25548788109903 1.008 > 4 11 H 0.75548788109903 0.50000000000000 0.50000000000000 1.008 > 5 12 H 0.24451211890097 0.50000000000000 0.50000000000000 1.008 > 6 13 H 0.00000000000000 0.00000000000000 0.24451211890097 1.008 > 1 14 H 0.00000000000000 0.74451211890097 0.50000000000000 1.008 > 2 15 H 0.00000000000000 0.25548788109903 0.50000000000000 1.008 > 3 16 H 0.50000000000000 0.00000000000000 0.25548788109903 1.008 > 4 17 H 0.25548788109903 0.00000000000000 0.50000000000000 1.008 > 5 18 H 0.74451211890097 0.00000000000000 0.50000000000000 1.008 > 6 19 H 0.00000000000000 0.50000000000000 0.74451211890097 1.008 > 1 20 H 0.00000000000000 0.24451211890097 0.00000000000000 1.008 > 2 21 H 0.00000000000000 0.75548788109903 0.00000000000000 1.008 > 3 22 H 0.50000000000000 0.50000000000000 0.75548788109903 1.008 > 4 23 H 0.25548788109903 0.50000000000000 0.00000000000000 1.008 > 5 24 H 0.74451211890097 0.50000000000000 0.00000000000000 1.008 > 6 *25 Mg 0.25000000000000 0.25000000000000 0.75000000000000 24.305 > 7 26 Mg 0.25000000000000 0.75000000000000 0.75000000000000 24.305 > 8 27 Mg 0.25000000000000 0.75000000000000 0.25000000000000 24.305 > 7 28 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 > 8 29 Mg 0.75000000000000 0.25000000000000 0.25000000000000 24.305 > 7 30 Mg 0.75000000000000 0.75000000000000 0.25000000000000 24.305 > 8 31 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 > 7 32 Mg 0.75000000000000 0.25000000000000 0.75000000000000 24.305 > 8 *33 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 9 34 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 9 35 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 9 36 Fe 0.50000000000000 0.50000000000000 0.00000000000000 55.845 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6241411 0.0000000 0.0000000 0.0000000 5.6241411 0.0000000 0.0000000 0.0000000 5.6241411 -------------------------- Born effective charges -------------------------- 1 H 0.1239923 0.0000000 0.0000000 0.0000000 0.1239923 0.0000000 0.0000000 0.0000000 -0.7217334 2 H 0.1239923 0.0000000 0.0000000 0.0000000 -0.7217334 0.0000000 0.0000000 0.0000000 0.1239923 3 H 0.1239923 0.0000000 0.0000000 0.0000000 -0.7217334 0.0000000 0.0000000 0.0000000 0.1239923 4 H 0.1239923 0.0000000 0.0000000 0.0000000 0.1239923 0.0000000 0.0000000 0.0000000 -0.7217334 5 H -0.7217334 0.0000000 0.0000000 0.0000000 0.1239923 0.0000000 0.0000000 0.0000000 0.1239923 6 H -0.7217334 0.0000000 0.0000000 0.0000000 0.1239923 0.0000000 0.0000000 0.0000000 0.1239923 7 Mg 2.0674462 0.0000000 0.0000000 0.0000000 2.0674462 0.0000000 0.0000000 0.0000000 2.0674462 8 Mg 2.0674462 0.0000000 0.0000000 0.0000000 2.0674462 0.0000000 0.0000000 0.0000000 2.0674462 9 Fe -3.1873950 0.0000000 0.0000000 0.0000000 -3.1873950 0.0000000 0.0000000 0.0000000 -3.1873950 ---------------------------------------------------------------------------- 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: 108/108 Permutation basis: 1998/1998 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 55 Number of blocks in projector: 55 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 42 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 13 Use standard eigh solver. Tree of FC basis block matrices: - (55, 51), data: False |-- (13, 13), data: True |-- (42, 38), data: True ----- Solver_atoms: 1 -- 36 / 36 Time (Solver_compr_matrix_reshape): 0.000 Solver_block: 80 / 80 - Time: 0.004 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.005 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 108/108 Permutation basis: 1998/1998 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 55 Number of blocks in projector: 55 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 42 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 13 Use standard eigh solver. Tree of FC basis block matrices: - (55, 51), data: False |-- (13, 13), data: True |-- (42, 38), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:38:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:38:20]------------------------- 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): [1 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fm-3m (225) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 3.168408880000000 3.168408880000000 b 3.168408880000000 0.000000000000000 3.168408880000000 c 3.168408880000000 3.168408880000000 0.000000000000000 Atomic positions (fractional): 1 H 0.24451211890097 0.24451211890097 0.75548788109903 1.008 2 H 0.24451211890097 0.75548788109903 0.24451211890097 1.008 3 H 0.75548788109903 0.24451211890097 0.75548788109903 1.008 4 H 0.75548788109903 0.75548788109903 0.24451211890097 1.008 5 H 0.24451211890097 0.75548788109903 0.75548788109903 1.008 6 H 0.75548788109903 0.24451211890097 0.24451211890097 1.008 7 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 8 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 9 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.336817760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.336817760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.336817760000000 Atomic positions (fractional): 1 H 0.50000000000000 0.00000000000000 0.74451211890097 1.008 > 1 2 H 0.50000000000000 0.74451211890097 0.00000000000000 1.008 > 2 3 H 0.50000000000000 0.25548788109903 0.00000000000000 1.008 > 3 4 H 0.00000000000000 0.00000000000000 0.75548788109903 1.008 > 4 5 H 0.75548788109903 0.00000000000000 0.00000000000000 1.008 > 5 6 H 0.24451211890097 0.00000000000000 0.00000000000000 1.008 > 6 7 H 0.50000000000000 0.50000000000000 0.24451211890097 1.008 > 1 8 H 0.50000000000000 0.24451211890097 0.50000000000000 1.008 > 2 9 H 0.50000000000000 0.75548788109903 0.50000000000000 1.008 > 3 10 H 0.00000000000000 0.50000000000000 0.25548788109903 1.008 > 4 11 H 0.75548788109903 0.50000000000000 0.50000000000000 1.008 > 5 12 H 0.24451211890097 0.50000000000000 0.50000000000000 1.008 > 6 13 H 0.00000000000000 0.00000000000000 0.24451211890097 1.008 > 1 14 H 0.00000000000000 0.74451211890097 0.50000000000000 1.008 > 2 15 H 0.00000000000000 0.25548788109903 0.50000000000000 1.008 > 3 16 H 0.50000000000000 0.00000000000000 0.25548788109903 1.008 > 4 17 H 0.25548788109903 0.00000000000000 0.50000000000000 1.008 > 5 18 H 0.74451211890097 0.00000000000000 0.50000000000000 1.008 > 6 19 H 0.00000000000000 0.50000000000000 0.74451211890097 1.008 > 1 20 H 0.00000000000000 0.24451211890097 0.00000000000000 1.008 > 2 21 H 0.00000000000000 0.75548788109903 0.00000000000000 1.008 > 3 22 H 0.50000000000000 0.50000000000000 0.75548788109903 1.008 > 4 23 H 0.25548788109903 0.50000000000000 0.00000000000000 1.008 > 5 24 H 0.74451211890097 0.50000000000000 0.00000000000000 1.008 > 6 25 Mg 0.25000000000000 0.25000000000000 0.75000000000000 24.305 > 25 26 Mg 0.25000000000000 0.75000000000000 0.75000000000000 24.305 > 26 27 Mg 0.25000000000000 0.75000000000000 0.25000000000000 24.305 > 25 28 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 > 26 29 Mg 0.75000000000000 0.25000000000000 0.25000000000000 24.305 > 25 30 Mg 0.75000000000000 0.75000000000000 0.25000000000000 24.305 > 26 31 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 > 25 32 Mg 0.75000000000000 0.25000000000000 0.75000000000000 24.305 > 26 33 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 33 34 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 33 35 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 33 36 Fe 0.50000000000000 0.50000000000000 0.00000000000000 55.845 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6241411 0.0000000 0.0000000 0.0000000 5.6241411 0.0000000 0.0000000 0.0000000 5.6241411 -------------------------- Born effective charges -------------------------- 1 H 0.1239923 0.0000000 0.0000000 0.0000000 0.1239923 0.0000000 0.0000000 0.0000000 -0.7217334 2 H 0.1239923 0.0000000 0.0000000 0.0000000 -0.7217334 0.0000000 0.0000000 0.0000000 0.1239923 3 H 0.1239923 0.0000000 0.0000000 0.0000000 -0.7217334 0.0000000 0.0000000 0.0000000 0.1239923 4 H 0.1239923 0.0000000 0.0000000 0.0000000 0.1239923 0.0000000 0.0000000 0.0000000 -0.7217334 5 H -0.7217334 0.0000000 0.0000000 0.0000000 0.1239923 0.0000000 0.0000000 0.0000000 0.1239923 6 H -0.7217334 0.0000000 0.0000000 0.0000000 0.1239923 0.0000000 0.0000000 0.0000000 0.1239923 7 Mg 2.0674462 0.0000000 0.0000000 0.0000000 2.0674462 0.0000000 0.0000000 0.0000000 2.0674462 8 Mg 2.0674462 0.0000000 0.0000000 0.0000000 2.0674462 0.0000000 0.0000000 0.0000000 2.0674462 9 Fe -3.1873950 0.0000000 0.0000000 0.0000000 -3.1873950 0.0000000 0.0000000 0.0000000 -3.1873950 ---------------------------------------------------------------------------- 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] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000025 (xxx) -0.00000025 (xxx) -0.00000025 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:38:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:38:21]------------------------- 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): [1 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fm-3m (225) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 3.168408880000000 3.168408880000000 b 3.168408880000000 0.000000000000000 3.168408880000000 c 3.168408880000000 3.168408880000000 0.000000000000000 Atomic positions (fractional): 1 H 0.24451211890097 0.24451211890097 0.75548788109903 1.008 2 H 0.24451211890097 0.75548788109903 0.24451211890097 1.008 3 H 0.75548788109903 0.24451211890097 0.75548788109903 1.008 4 H 0.75548788109903 0.75548788109903 0.24451211890097 1.008 5 H 0.24451211890097 0.75548788109903 0.75548788109903 1.008 6 H 0.75548788109903 0.24451211890097 0.24451211890097 1.008 7 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 8 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 9 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.336817760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.336817760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.336817760000000 Atomic positions (fractional): 1 H 0.50000000000000 0.00000000000000 0.74451211890097 1.008 > 1 2 H 0.50000000000000 0.74451211890097 0.00000000000000 1.008 > 2 3 H 0.50000000000000 0.25548788109903 0.00000000000000 1.008 > 3 4 H 0.00000000000000 0.00000000000000 0.75548788109903 1.008 > 4 5 H 0.75548788109903 0.00000000000000 0.00000000000000 1.008 > 5 6 H 0.24451211890097 0.00000000000000 0.00000000000000 1.008 > 6 7 H 0.50000000000000 0.50000000000000 0.24451211890097 1.008 > 1 8 H 0.50000000000000 0.24451211890097 0.50000000000000 1.008 > 2 9 H 0.50000000000000 0.75548788109903 0.50000000000000 1.008 > 3 10 H 0.00000000000000 0.50000000000000 0.25548788109903 1.008 > 4 11 H 0.75548788109903 0.50000000000000 0.50000000000000 1.008 > 5 12 H 0.24451211890097 0.50000000000000 0.50000000000000 1.008 > 6 13 H 0.00000000000000 0.00000000000000 0.24451211890097 1.008 > 1 14 H 0.00000000000000 0.74451211890097 0.50000000000000 1.008 > 2 15 H 0.00000000000000 0.25548788109903 0.50000000000000 1.008 > 3 16 H 0.50000000000000 0.00000000000000 0.25548788109903 1.008 > 4 17 H 0.25548788109903 0.00000000000000 0.50000000000000 1.008 > 5 18 H 0.74451211890097 0.00000000000000 0.50000000000000 1.008 > 6 19 H 0.00000000000000 0.50000000000000 0.74451211890097 1.008 > 1 20 H 0.00000000000000 0.24451211890097 0.00000000000000 1.008 > 2 21 H 0.00000000000000 0.75548788109903 0.00000000000000 1.008 > 3 22 H 0.50000000000000 0.50000000000000 0.75548788109903 1.008 > 4 23 H 0.25548788109903 0.50000000000000 0.00000000000000 1.008 > 5 24 H 0.74451211890097 0.50000000000000 0.00000000000000 1.008 > 6 25 Mg 0.25000000000000 0.25000000000000 0.75000000000000 24.305 > 25 26 Mg 0.25000000000000 0.75000000000000 0.75000000000000 24.305 > 26 27 Mg 0.25000000000000 0.75000000000000 0.25000000000000 24.305 > 25 28 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 > 26 29 Mg 0.75000000000000 0.25000000000000 0.25000000000000 24.305 > 25 30 Mg 0.75000000000000 0.75000000000000 0.25000000000000 24.305 > 26 31 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 > 25 32 Mg 0.75000000000000 0.25000000000000 0.75000000000000 24.305 > 26 33 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 33 34 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 33 35 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 33 36 Fe 0.50000000000000 0.50000000000000 0.00000000000000 55.845 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6241411 0.0000000 0.0000000 0.0000000 5.6241411 0.0000000 0.0000000 0.0000000 5.6241411 -------------------------- Born effective charges -------------------------- 1 H 0.1239923 0.0000000 0.0000000 0.0000000 0.1239923 0.0000000 0.0000000 0.0000000 -0.7217334 2 H 0.1239923 0.0000000 0.0000000 0.0000000 -0.7217334 0.0000000 0.0000000 0.0000000 0.1239923 3 H 0.1239923 0.0000000 0.0000000 0.0000000 -0.7217334 0.0000000 0.0000000 0.0000000 0.1239923 4 H 0.1239923 0.0000000 0.0000000 0.0000000 0.1239923 0.0000000 0.0000000 0.0000000 -0.7217334 5 H -0.7217334 0.0000000 0.0000000 0.0000000 0.1239923 0.0000000 0.0000000 0.0000000 0.1239923 6 H -0.7217334 0.0000000 0.0000000 0.0000000 0.1239923 0.0000000 0.0000000 0.0000000 0.1239923 7 Mg 2.0674462 0.0000000 0.0000000 0.0000000 2.0674462 0.0000000 0.0000000 0.0000000 2.0674462 8 Mg 2.0674462 0.0000000 0.0000000 0.0000000 2.0674462 0.0000000 0.0000000 0.0000000 2.0674462 9 Fe -3.1873950 0.0000000 0.0000000 0.0000000 -3.1873950 0.0000000 0.0000000 0.0000000 -3.1873950 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000025 (xxx) -0.00000025 (xxx) -0.00000025 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 14 14 14 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.04, Number of G-points: 307, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 104 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 6.669 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 11.476 ( 0.000 0.000 0.000) 0.000 11.476 ( 0.000 0.000 0.000) 0.000 11.476 ( 0.000 0.000 0.000) 0.000 24.215 ( 0.000 0.000 0.000) 0.000 24.215 ( 0.000 0.000 0.000) 0.000 24.215 ( 0.000 0.000 0.000) 0.000 26.448 ( 0.000 0.000 0.000) 0.000 26.448 ( 0.000 0.000 0.000) 0.000 26.448 ( 0.000 0.000 0.000) 0.000 29.350 ( 0.000 0.000 0.000) 0.000 29.350 ( 0.000 0.000 0.000) 0.000 29.350 ( 0.000 0.000 0.000) 0.000 54.372 ( 0.000 0.000 0.000) 0.000 54.372 ( 0.000 0.000 0.000) 0.000 54.372 ( 0.000 0.000 0.000) 0.000 56.602 ( 0.000 0.000 0.000) 0.000 56.602 ( 0.000 0.000 0.000) 0.000 57.535 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -30.974 30.974 30.974) 53.649 1.061 ( -30.974 30.974 30.974) 53.649 1.390 ( -40.614 40.614 40.614) 70.345 6.702 ( -1.924 1.924 1.924) 3.333 6.702 ( -1.924 1.924 1.924) 3.333 7.069 ( 0.363 -0.363 -0.363) 0.628 7.069 ( 0.363 -0.363 -0.363) 0.628 7.104 ( -1.704 1.704 1.704) 2.951 11.116 ( 1.925 -1.925 -1.925) 3.334 11.637 ( -9.379 9.379 9.379) 16.245 11.650 ( -10.150 10.150 10.150) 17.580 11.650 ( -10.150 10.150 10.150) 17.580 24.146 ( 4.068 -4.068 -4.068) 7.046 24.221 ( -0.312 0.312 0.312) 0.540 24.221 ( -0.312 0.312 0.312) 0.540 26.402 ( 2.661 -2.661 -2.661) 4.610 26.402 ( 2.661 -2.661 -2.661) 4.610 26.688 ( -0.878 0.878 0.878) 1.521 29.322 ( 1.627 -1.627 -1.627) 2.817 29.322 ( 1.627 -1.627 -1.627) 2.817 29.325 ( 1.496 -1.496 -1.496) 2.591 54.352 ( 1.112 -1.112 -1.112) 1.926 54.352 ( 1.112 -1.112 -1.112) 1.926 55.384 ( -0.868 0.868 0.868) 1.504 56.625 ( -1.299 1.299 1.299) 2.250 56.625 ( -1.299 1.299 1.299) 2.250 57.506 ( 1.716 -1.716 -1.716) 2.973 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -29.205 29.205 29.205) 50.585 2.082 ( -29.205 29.205 29.205) 50.585 2.730 ( -38.415 38.415 38.415) 66.537 6.791 ( -3.118 3.118 3.118) 5.401 6.791 ( -3.118 3.118 3.118) 5.401 7.052 ( 0.617 -0.617 -0.617) 1.069 7.052 ( 0.617 -0.617 -0.617) 1.069 7.191 ( -3.408 3.408 3.408) 5.903 11.016 ( 3.986 -3.986 -3.986) 6.904 12.090 ( -17.017 17.017 17.017) 29.474 12.140 ( -18.325 18.325 18.325) 31.739 12.140 ( -18.325 18.325 18.325) 31.739 23.944 ( 7.771 -7.771 -7.771) 13.460 24.228 ( 0.111 -0.111 -0.111) 0.192 24.228 ( 0.111 -0.111 -0.111) 0.192 26.278 ( 4.423 -4.423 -4.423) 7.661 26.278 ( 4.423 -4.423 -4.423) 7.661 26.732 ( -1.685 1.685 1.685) 2.919 29.243 ( 3.050 -3.050 -3.050) 5.283 29.243 ( 3.050 -3.050 -3.050) 5.283 29.251 ( 2.815 -2.815 -2.815) 4.875 54.300 ( 1.918 -1.918 -1.918) 3.322 54.300 ( 1.918 -1.918 -1.918) 3.322 55.428 ( -1.755 1.755 1.755) 3.040 56.686 ( -2.255 2.255 2.255) 3.906 56.686 ( -2.255 2.255 2.255) 3.906 57.420 ( 3.285 -3.285 -3.285) 5.690 ======================= Grid point 3 (4/104) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -26.298 26.298 26.298) 45.550 3.023 ( -26.298 26.298 26.298) 45.550 3.971 ( -34.671 34.671 34.671) 60.053 6.880 ( -1.292 1.292 1.292) 2.237 6.880 ( -1.292 1.292 1.292) 2.237 7.049 ( -1.177 1.177 1.177) 2.038 7.049 ( -1.177 1.177 1.177) 2.038 7.334 ( -5.083 5.083 5.083) 8.804 10.844 ( 6.219 -6.219 -6.219) 10.771 12.754 ( -21.656 21.656 21.656) 37.509 12.851 ( -23.114 23.114 23.114) 40.035 12.851 ( -23.114 23.114 23.114) 40.035 23.629 ( 10.651 -10.651 -10.651) 18.448 24.198 ( 1.902 -1.902 -1.902) 3.294 24.198 ( 1.902 -1.902 -1.902) 3.294 26.123 ( 4.402 -4.402 -4.402) 7.625 26.123 ( 4.402 -4.402 -4.402) 7.625 26.800 ( -2.327 2.327 2.327) 4.030 29.121 ( 4.054 -4.054 -4.054) 7.021 29.121 ( 4.054 -4.054 -4.054) 7.021 29.138 ( 3.765 -3.765 -3.765) 6.522 54.228 ( 2.260 -2.260 -2.260) 3.915 54.228 ( 2.260 -2.260 -2.260) 3.915 55.503 ( -2.633 2.633 2.633) 4.560 56.771 ( -2.682 2.682 2.682) 4.645 56.771 ( -2.682 2.682 2.682) 4.645 57.287 ( 4.544 -4.544 -4.544) 7.871 ======================= Grid point 4 (5/104) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( -22.298 22.298 22.298) 38.621 3.848 ( -22.298 22.298 22.298) 38.621 5.054 ( -29.055 29.055 29.055) 50.326 6.855 ( 2.210 -2.210 -2.210) 3.828 6.855 ( 2.210 -2.210 -2.210) 3.828 7.143 ( -3.654 3.654 3.654) 6.329 7.143 ( -3.654 3.654 3.654) 6.329 7.534 ( -6.770 6.770 6.770) 11.725 10.596 ( 8.428 -8.428 -8.428) 14.598 13.512 ( -22.546 22.546 22.546) 39.050 13.656 ( -23.766 23.766 23.766) 41.163 13.656 ( -23.766 23.766 23.766) 41.163 23.240 ( 12.054 -12.054 -12.054) 20.877 24.086 ( 4.723 -4.723 -4.723) 8.181 24.086 ( 4.723 -4.723 -4.723) 8.181 26.002 ( 2.519 -2.519 -2.519) 4.363 26.002 ( 2.519 -2.519 -2.519) 4.363 26.886 ( -2.657 2.657 2.657) 4.602 28.976 ( 4.395 -4.395 -4.395) 7.613 28.976 ( 4.395 -4.395 -4.395) 7.613 29.003 ( 4.130 -4.130 -4.130) 7.153 54.152 ( 2.140 -2.140 -2.140) 3.707 54.152 ( 2.140 -2.140 -2.140) 3.707 55.605 ( -3.377 3.377 3.377) 5.850 56.861 ( -2.562 2.562 2.562) 4.438 56.861 ( -2.562 2.562 2.562) 4.438 57.119 ( 5.292 -5.292 -5.292) 9.167 ======================= Grid point 5 (6/104) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.518 ( -17.088 17.088 17.088) 29.598 4.518 ( -17.088 17.088 17.088) 29.598 5.907 ( -20.889 20.889 20.889) 36.181 6.758 ( 3.307 -3.307 -3.307) 5.727 6.758 ( 3.307 -3.307 -3.307) 5.727 7.262 ( -3.143 3.143 3.143) 5.444 7.262 ( -3.143 3.143 3.143) 5.444 7.793 ( -8.508 8.508 8.508) 14.737 10.282 ( 9.908 -9.908 -9.908) 17.161 14.230 ( -19.162 19.162 19.162) 33.189 14.407 ( -19.896 19.896 19.896) 34.460 14.407 ( -19.896 19.896 19.896) 34.460 22.841 ( 11.077 -11.077 -11.077) 19.186 23.892 ( 6.354 -6.354 -6.354) 11.005 23.892 ( 6.354 -6.354 -6.354) 11.005 25.955 ( 0.380 -0.380 -0.380) 0.658 25.955 ( 0.380 -0.380 -0.380) 0.658 26.974 ( -2.463 2.463 2.463) 4.266 28.834 ( 3.839 -3.839 -3.839) 6.650 28.834 ( 3.839 -3.839 -3.839) 6.650 28.868 ( 3.670 -3.670 -3.670) 6.356 54.087 ( 1.643 -1.643 -1.643) 2.846 54.087 ( 1.643 -1.643 -1.643) 2.846 55.726 ( -3.668 3.668 3.668) 6.353 56.938 ( 5.206 -5.206 -5.206) 9.017 56.939 ( -1.982 1.982 1.982) 3.433 56.939 ( -1.982 1.982 1.982) 3.433 ======================= Grid point 6 (7/104) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.982 ( -9.960 9.960 9.960) 17.251 4.982 ( -9.960 9.960 9.960) 17.251 6.440 ( -10.456 10.456 10.456) 18.111 6.648 ( 2.881 -2.881 -2.881) 4.990 6.648 ( 2.881 -2.881 -2.881) 4.990 7.346 ( -1.726 1.726 1.726) 2.990 7.346 ( -1.726 1.726 1.726) 2.990 8.089 ( -8.160 8.160 8.160) 14.134 9.957 ( 8.468 -8.468 -8.468) 14.666 14.757 ( -11.267 11.267 11.267) 19.515 14.951 ( -11.531 11.531 11.531) 19.972 14.951 ( -11.531 11.531 11.531) 19.972 22.527 ( 6.896 -6.896 -6.896) 11.944 23.696 ( 4.637 -4.637 -4.637) 8.031 23.696 ( 4.637 -4.637 -4.637) 8.031 25.960 ( -0.420 0.420 0.420) 0.728 25.960 ( -0.420 0.420 0.420) 0.728 27.044 ( -1.543 1.543 1.543) 2.673 28.728 ( 2.282 -2.282 -2.282) 3.952 28.728 ( 2.282 -2.282 -2.282) 3.952 28.766 ( 2.223 -2.223 -2.223) 3.850 54.044 ( 0.887 -0.887 -0.887) 1.537 54.044 ( 0.887 -0.887 -0.887) 1.537 55.840 ( -2.784 2.784 2.784) 4.822 56.783 ( 3.639 -3.639 -3.639) 6.303 56.992 ( -1.076 1.076 1.076) 1.863 56.992 ( -1.076 1.076 1.076) 1.863 ======================= Grid point 7 (8/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.158 ( -0.000 0.000 0.000) 0.000 5.158 ( -0.000 0.000 0.000) 0.000 6.593 ( -0.000 0.000 0.000) 0.000 6.593 ( -0.000 0.000 0.000) 0.000 6.615 ( -0.000 0.000 0.000) 0.000 7.375 ( -0.000 0.000 0.000) 0.000 7.375 ( -0.000 0.000 0.000) 0.000 8.251 ( -0.000 0.000 0.000) 0.000 9.793 ( -0.000 0.000 0.000) 0.000 14.953 ( -0.000 0.000 0.000) 0.000 15.151 ( -0.000 0.000 0.000) 0.000 15.151 ( -0.000 0.000 0.000) 0.000 22.406 ( -0.000 0.000 0.000) 0.000 23.612 ( -0.000 0.000 0.000) 0.000 23.612 ( -0.000 0.000 0.000) 0.000 25.970 ( -0.000 0.000 0.000) 0.000 25.970 ( -0.000 0.000 0.000) 0.000 27.071 ( -0.000 0.000 0.000) 0.000 28.688 ( -0.000 0.000 0.000) 0.000 28.688 ( -0.000 0.000 0.000) 0.000 28.727 ( -0.000 0.000 0.000) 0.000 54.029 ( -0.000 0.000 0.000) 0.000 54.029 ( -0.000 0.000 0.000) 0.000 55.892 ( 0.000 -0.000 -0.000) 0.000 56.717 ( -0.000 0.000 0.000) 0.000 57.010 ( -0.000 0.000 0.000) 0.000 57.010 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 16 (9/104) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.000 0.000 46.275) 46.275 1.058 ( -0.000 0.000 46.275) 46.275 1.824 ( -0.000 0.000 79.671) 79.671 6.663 ( 0.000 -0.000 -0.444) 0.444 6.663 ( 0.000 -0.000 -0.444) 0.444 7.003 ( 0.000 -0.000 -6.395) 6.395 7.122 ( -0.000 0.000 4.042) 4.042 7.122 ( -0.000 0.000 4.042) 4.042 11.159 ( -0.000 0.000 0.941) 0.941 11.489 ( -0.000 0.000 1.166) 1.166 11.807 ( -0.000 0.000 28.626) 28.626 11.807 ( -0.000 0.000 28.626) 28.626 24.152 ( 0.000 -0.000 -5.492) 5.492 24.210 ( 0.000 -0.000 -0.490) 0.490 24.210 ( 0.000 -0.000 -0.490) 0.490 26.429 ( 0.000 -0.000 -1.620) 1.620 26.429 ( 0.000 -0.000 -1.620) 1.620 26.604 ( 0.000 -0.000 -6.030) 6.030 29.302 ( 0.000 -0.000 -4.231) 4.231 29.302 ( 0.000 -0.000 -4.231) 4.231 29.338 ( 0.000 -0.000 -1.082) 1.082 54.368 ( 0.000 -0.000 -0.283) 0.283 54.368 ( 0.000 -0.000 -0.283) 0.283 55.250 ( 0.000 -0.000 -9.357) 9.357 56.613 ( -0.000 0.000 0.945) 0.945 56.744 ( -0.000 0.000 11.129) 11.129 57.498 ( 0.000 -0.000 -3.031) 3.031 ======================= Grid point 17 (10/104) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -19.301 19.301 38.343) 47.066 1.882 ( -23.973 23.973 37.854) 50.816 2.840 ( -11.848 11.848 72.013) 73.936 6.689 ( -2.757 2.757 -0.814) 3.983 6.744 ( -6.048 6.048 0.161) 8.554 6.927 ( -1.188 1.188 -9.431) 9.579 7.159 ( 1.606 -1.606 5.662) 6.100 7.194 ( -1.507 1.507 5.837) 6.214 11.106 ( 5.059 -5.059 0.604) 7.180 11.671 ( -14.459 14.459 1.661) 20.516 12.267 ( -6.109 6.109 39.637) 40.567 12.274 ( -6.741 6.741 39.580) 40.712 24.001 ( 5.640 -5.640 -8.611) 11.738 24.205 ( -0.163 0.163 -1.188) 1.210 24.229 ( -1.345 1.345 -0.257) 1.919 26.294 ( 5.711 -5.711 -5.618) 9.839 26.368 ( 3.326 -3.326 -2.173) 5.181 26.632 ( -5.594 5.594 -4.944) 9.329 29.229 ( 1.248 -1.248 -6.121) 6.371 29.230 ( 1.127 -1.127 -6.121) 6.325 29.299 ( 2.059 -2.059 -1.535) 3.292 54.321 ( 2.860 -2.860 -0.953) 4.156 54.346 ( 1.577 -1.577 -0.388) 2.263 55.241 ( -7.682 7.682 -10.816) 15.330 56.645 ( -1.659 1.659 1.318) 2.691 56.831 ( 3.484 -3.484 13.135) 14.028 57.439 ( 1.889 -1.889 -3.524) 4.422 ======================= Grid point 18 (11/104) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -23.328 23.328 30.505) 44.933 2.852 ( -25.568 25.568 32.739) 48.778 3.919 ( -16.966 16.966 60.128) 64.739 6.757 ( -4.258 4.258 -1.868) 6.305 6.827 ( -1.640 1.640 -10.407) 10.663 6.920 ( -6.971 6.971 0.641) 9.879 7.180 ( 2.734 -2.734 7.020) 8.014 7.323 ( -3.199 3.199 7.705) 8.935 10.955 ( 7.765 -7.765 -1.501) 11.084 12.156 ( -26.016 26.016 2.020) 36.848 12.941 ( -10.059 10.059 45.810) 47.968 12.966 ( -11.092 11.092 45.611) 48.233 23.720 ( 8.866 -8.866 -11.687) 17.141 24.176 ( 0.898 -0.898 -3.121) 3.369 24.244 ( 0.321 -0.321 0.116) 0.469 26.098 ( 4.248 -4.248 -8.099) 10.084 26.243 ( 5.227 -5.227 -2.219) 7.719 26.710 ( -5.348 5.348 -3.230) 8.224 29.112 ( 2.171 -2.171 -7.488) 8.093 29.117 ( 1.975 -1.975 -7.483) 7.988 29.213 ( 3.820 -3.820 -1.851) 5.711 54.238 ( 2.819 -2.819 -2.013) 4.466 54.292 ( 2.704 -2.704 -0.430) 3.849 55.316 ( -8.943 8.943 -9.673) 15.922 56.713 ( -2.819 2.819 1.511) 4.263 56.897 ( 3.110 -3.110 11.511) 12.323 57.339 ( 3.907 -3.907 -2.333) 5.998 ======================= Grid point 19 (12/104) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( -22.578 22.578 24.159) 40.040 3.742 ( -21.593 21.593 30.000) 42.808 4.926 ( -18.235 18.235 46.484) 53.158 6.726 ( -2.117 2.117 -13.860) 14.180 6.816 ( -3.041 3.041 -3.467) 5.524 7.096 ( -5.618 5.618 3.794) 8.804 7.206 ( 2.134 -2.134 7.920) 8.476 7.515 ( -4.971 4.971 10.092) 12.299 10.722 ( 9.884 -9.884 -4.508) 14.687 12.852 ( -32.708 32.708 2.168) 46.306 13.710 ( -11.165 11.165 46.141) 48.768 13.757 ( -12.313 12.313 45.856) 49.052 23.354 ( 10.785 -10.785 -13.034) 20.063 24.079 ( 3.199 -3.199 -6.185) 7.663 24.200 ( 3.872 -3.872 -0.306) 5.484 25.944 ( 1.448 -1.448 -7.116) 7.405 26.103 ( 4.702 -4.702 -1.856) 6.903 26.799 ( -5.262 5.262 -2.326) 7.796 28.969 ( 2.567 -2.567 -8.011) 8.795 28.979 ( 2.356 -2.356 -7.998) 8.664 29.091 ( 5.006 -5.006 -1.978) 7.350 54.156 ( 2.260 -2.260 -2.214) 3.888 54.220 ( 3.169 -3.169 -0.411) 4.501 55.420 ( -9.236 9.236 -8.411) 15.536 56.800 ( -3.261 3.261 1.497) 4.848 56.938 ( 1.890 -1.890 4.807) 5.500 57.225 ( 6.069 -6.069 3.311) 9.199 ======================= Grid point 20 (13/104) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.235 ( -19.389 19.389 18.491) 33.073 4.485 ( -15.493 15.493 27.053) 34.812 5.747 ( -15.624 15.624 28.844) 36.334 6.627 ( -3.097 3.097 -12.569) 13.310 6.800 ( 0.539 -0.539 -4.404) 4.469 7.242 ( -3.188 3.188 3.776) 5.881 7.268 ( 0.096 -0.096 7.268) 7.270 7.779 ( -6.521 6.521 13.940) 16.715 10.412 ( 11.343 -11.343 -7.750) 17.815 13.634 ( -33.507 33.507 2.090) 47.433 14.435 ( -8.987 8.987 39.956) 41.929 14.505 ( -9.959 9.959 39.899) 42.312 22.964 ( 10.929 -10.929 -11.276) 19.132 23.901 ( 4.984 -4.984 -7.922) 10.604 24.057 ( 7.821 -7.821 -1.211) 11.127 25.880 ( -1.427 1.427 -4.316) 4.764 26.003 ( 2.232 -2.232 -1.731) 3.600 26.891 ( -5.039 5.039 -2.220) 7.463 28.826 ( 2.235 -2.235 -7.369) 8.018 28.840 ( 2.079 -2.079 -7.326) 7.894 28.950 ( 5.298 -5.298 -1.872) 7.723 54.090 ( 1.627 -1.627 -1.526) 2.761 54.145 ( 2.975 -2.975 -0.343) 4.221 55.539 ( -9.370 9.370 -8.030) 15.495 56.888 ( -2.991 2.991 1.288) 4.422 56.896 ( 1.616 -1.616 -5.171) 5.654 57.167 ( 6.934 -6.934 12.575) 15.947 ======================= Grid point 21 (14/104) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.795 ( -14.045 14.045 13.261) 23.882 5.027 ( -7.292 7.292 21.942) 24.244 6.182 ( -9.229 9.229 -4.207) 13.713 6.667 ( -5.321 5.321 5.961) 9.600 6.703 ( 2.891 -2.891 -5.243) 6.649 7.316 ( -0.868 0.868 1.104) 1.650 7.350 ( -0.487 0.487 5.875) 5.915 8.114 ( -6.238 6.238 18.463) 20.463 10.054 ( 10.627 -10.627 -10.158) 18.140 14.360 ( -27.700 27.700 1.884) 39.219 14.965 ( -3.503 3.503 27.023) 27.473 15.055 ( -3.931 3.931 27.809) 28.359 22.639 ( 8.757 -8.757 -5.585) 13.585 23.713 ( 4.153 -4.153 -5.255) 7.881 23.845 ( 8.810 -8.810 -1.488) 12.548 25.896 ( -2.720 2.720 -2.056) 4.361 25.957 ( -0.039 0.039 -2.742) 2.742 26.969 ( -4.330 4.330 -2.962) 6.802 28.714 ( 1.063 -1.063 -5.406) 5.611 28.732 ( 1.041 -1.041 -5.256) 5.458 28.820 ( 4.359 -4.359 -1.521) 6.350 54.050 ( 0.990 -0.990 -0.218) 1.418 54.082 ( 2.245 -2.245 -0.241) 3.185 55.652 ( -8.975 8.975 -9.092) 15.614 56.784 ( 1.911 -1.911 -5.942) 6.528 56.959 ( -2.149 2.149 0.926) 3.178 57.171 ( 6.473 -6.473 13.741) 16.511 ======================= Grid point 22 (15/104) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.142 ( -5.319 5.319 8.082) 11.041 5.259 ( 3.497 -3.497 9.478) 10.691 6.238 ( -9.134 9.134 -14.321) 19.286 6.576 ( 1.784 -1.784 -6.212) 6.705 6.868 ( -0.175 0.175 12.092) 12.095 7.305 ( -0.033 0.033 -4.486) 4.486 7.411 ( 0.614 -0.614 4.694) 4.774 8.400 ( 1.477 -1.477 17.353) 17.478 9.772 ( 2.976 -2.976 -7.748) 8.817 14.869 ( -14.061 14.061 1.885) 19.974 15.171 ( 3.251 -3.251 9.050) 10.151 15.271 ( 4.837 -4.837 11.413) 13.306 22.471 ( 4.214 -4.214 2.407) 6.427 23.631 ( 0.823 -0.823 1.550) 1.939 23.670 ( 4.982 -4.982 -0.065) 7.046 25.929 ( -1.017 1.017 -4.855) 5.064 25.939 ( -2.241 2.241 -0.861) 3.284 27.012 ( -3.003 3.003 -4.333) 6.067 28.665 ( -0.775 0.775 -2.453) 2.687 28.683 ( -0.384 0.384 -2.051) 2.121 28.732 ( 1.841 -1.841 -1.011) 2.793 54.041 ( 1.152 -1.152 -0.123) 1.634 54.042 ( 0.392 -0.392 1.427) 1.530 55.722 ( -7.250 7.250 -11.678) 15.541 56.706 ( 0.222 -0.222 -2.587) 2.606 57.002 ( -0.928 0.928 0.480) 1.397 57.172 ( 6.475 -6.475 12.127) 15.196 ======================= Grid point 23 (16/104) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.091 ( 11.418 -11.418 -6.846) 17.539 5.181 ( 7.375 -7.375 1.970) 10.615 6.292 ( -5.559 5.559 -9.875) 12.622 6.521 ( -3.340 3.340 -5.750) 7.441 6.895 ( 8.202 -8.202 9.544) 15.022 7.241 ( -2.184 2.184 -10.091) 10.553 7.422 ( 2.581 -2.581 3.641) 5.156 8.352 ( 14.015 -14.015 7.014) 21.025 9.826 ( -9.227 9.227 2.860) 13.358 14.901 ( 11.530 -11.530 -4.864) 17.016 15.092 ( 13.933 -13.933 -4.821) 20.285 15.123 ( 2.865 -2.865 -1.724) 4.403 22.508 ( -2.012 2.012 8.293) 8.768 23.646 ( -1.389 1.389 3.101) 3.671 23.713 ( -2.732 2.732 8.466) 9.306 25.889 ( -1.434 1.434 -6.861) 7.155 25.971 ( -1.018 1.018 0.174) 1.450 27.004 ( -1.358 1.358 -5.677) 5.993 28.693 ( -1.172 1.172 0.347) 1.693 28.695 ( -2.723 2.723 0.561) 3.891 28.732 ( -2.279 2.279 0.417) 3.250 54.029 ( -0.119 0.119 -0.006) 0.169 54.064 ( -0.119 0.119 3.134) 3.138 55.708 ( -4.454 4.454 -14.001) 15.353 56.725 ( -2.889 2.889 0.422) 4.108 57.011 ( 0.463 -0.463 0.032) 0.655 57.151 ( 6.701 -6.701 10.531) 14.167 ======================= Grid point 24 (17/104) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.638 ( 16.316 -16.316 -16.752) 28.514 4.871 ( 18.300 -18.300 -3.810) 26.160 6.114 ( 12.775 -12.775 -12.216) 21.809 6.587 ( -6.857 6.857 -4.398) 10.648 6.817 ( 3.327 -3.327 4.273) 6.356 7.179 ( -2.108 2.108 -9.951) 10.388 7.375 ( 4.745 -4.745 2.540) 7.176 8.043 ( 15.873 -15.873 2.301) 22.566 10.146 ( -11.820 11.820 8.013) 18.537 14.397 ( 19.770 -19.770 -17.368) 32.915 14.569 ( 20.841 -20.841 -16.328) 33.694 14.885 ( 17.479 -17.479 -1.199) 24.748 22.733 ( -8.324 8.324 9.937) 15.406 23.784 ( -5.633 5.633 5.698) 9.795 23.912 ( -4.154 4.154 11.246) 12.688 25.850 ( -2.518 2.518 -7.268) 8.094 25.998 ( -0.427 0.427 2.248) 2.327 26.950 ( -0.010 0.010 -6.443) 6.443 28.753 ( -3.642 3.642 0.815) 5.215 28.793 ( -4.157 4.157 2.665) 6.455 28.824 ( -4.007 4.007 2.603) 6.236 54.046 ( -1.382 1.382 0.089) 1.956 54.116 ( -0.482 0.482 4.628) 4.678 55.622 ( -2.471 2.471 -14.385) 14.803 56.825 ( -4.562 4.562 0.815) 6.503 56.983 ( 1.810 -1.810 -0.332) 2.581 57.115 ( 6.233 -6.233 9.664) 13.081 ======================= Grid point 25 (18/104) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.997 ( 20.739 -20.739 -22.322) 36.858 4.306 ( 25.609 -25.609 -7.472) 36.979 5.473 ( 28.520 -28.520 -15.289) 43.133 6.704 ( -7.064 7.064 -3.378) 10.545 6.819 ( -0.866 0.866 -1.901) 2.262 7.115 ( -0.984 0.984 -6.715) 6.858 7.269 ( 6.515 -6.515 1.402) 9.319 7.735 ( 13.181 -13.181 1.655) 18.714 10.490 ( -10.093 10.093 8.161) 16.442 13.682 ( 22.751 -22.751 -22.104) 39.036 13.835 ( 24.431 -24.431 -21.209) 40.541 14.332 ( 29.356 -29.356 -1.159) 41.532 23.080 ( -12.336 12.336 9.015) 19.637 23.983 ( -5.733 5.733 5.087) 9.571 24.115 ( -2.953 2.953 9.079) 9.993 25.858 ( -4.825 4.825 -5.356) 8.675 26.056 ( -1.109 1.109 5.549) 5.766 26.867 ( 0.638 -0.638 -6.603) 6.665 28.868 ( -5.450 5.450 0.994) 7.771 28.931 ( -4.780 4.780 3.465) 7.597 28.957 ( -4.531 4.531 3.410) 7.259 54.092 ( -2.450 2.450 0.146) 3.468 54.187 ( -0.647 0.647 5.595) 5.669 55.510 ( -1.794 1.794 -13.399) 13.637 56.898 ( -0.041 0.041 0.771) 0.773 56.924 ( 2.911 -2.911 -0.543) 4.152 57.125 ( 0.865 -0.865 8.104) 8.196 ======================= Grid point 26 (19/104) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 25.024 -25.024 -24.531) 43.060 3.569 ( 31.184 -31.184 -8.887) 44.988 4.543 ( 37.857 -37.857 -15.192) 55.651 6.780 ( -0.467 0.467 -7.347) 7.377 6.820 ( -5.913 5.913 -2.255) 8.661 7.087 ( -0.741 0.741 -1.964) 2.226 7.120 ( 7.322 -7.322 0.330) 10.360 7.489 ( 10.190 -10.190 1.397) 14.479 10.773 ( -7.495 7.495 6.542) 12.456 12.923 ( 22.542 -22.542 -20.046) 37.658 13.040 ( 24.587 -24.587 -19.552) 39.891 13.586 ( 34.651 -34.651 -0.991) 49.014 23.463 ( -13.028 13.028 7.030) 19.720 24.129 ( -3.410 3.410 2.028) 5.232 24.234 ( -0.661 0.661 4.764) 4.855 25.953 ( -7.311 7.311 -2.232) 10.577 26.173 ( -2.177 2.177 8.113) 8.678 26.779 ( 0.620 -0.620 -6.277) 6.338 29.010 ( -5.966 5.966 0.871) 8.482 29.076 ( -4.630 4.630 3.081) 7.236 29.096 ( -4.319 4.319 3.028) 6.817 54.157 ( -3.143 3.143 0.152) 4.448 54.266 ( -0.599 0.599 5.603) 5.667 55.409 ( -1.810 1.810 -11.414) 11.698 56.843 ( 3.578 -3.578 -0.556) 5.091 56.857 ( 4.394 -4.394 2.393) 6.659 57.239 ( -3.689 3.689 4.474) 6.873 ======================= Grid point 27 (20/104) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 29.225 -29.225 -20.716) 46.232 2.718 ( 35.765 -35.765 -7.352) 51.111 3.457 ( 44.690 -44.690 -10.911) 64.136 6.701 ( -0.083 0.083 -6.585) 6.586 6.912 ( -1.901 1.901 0.508) 2.735 6.962 ( 4.436 -4.436 -1.801) 6.527 7.089 ( -0.332 0.332 -0.326) 0.571 7.305 ( 7.358 -7.358 0.945) 10.449 10.973 ( -5.003 5.003 3.940) 8.099 12.257 ( 19.511 -19.511 -12.225) 30.179 12.332 ( 21.497 -21.497 -12.074) 32.711 12.798 ( 33.413 -33.413 -0.587) 47.257 23.803 ( -11.093 11.093 4.214) 16.244 24.189 ( -1.384 1.384 -0.310) 1.981 24.262 ( 0.864 -0.864 1.487) 1.924 26.119 ( -8.063 8.063 -0.218) 11.405 26.317 ( -2.349 2.349 7.169) 7.902 26.704 ( 0.230 -0.230 -4.968) 4.978 29.148 ( -5.370 5.370 0.509) 7.611 29.202 ( -3.884 3.884 1.821) 5.787 29.213 ( -3.583 3.583 1.789) 5.373 54.232 ( -3.292 3.292 0.103) 4.657 54.333 ( -0.418 0.418 3.961) 4.005 55.342 ( -1.864 1.864 -7.573) 8.019 56.755 ( 3.649 -3.649 -0.365) 5.174 56.777 ( 4.823 -4.823 2.291) 7.195 57.366 ( -4.069 4.069 1.999) 6.092 ======================= Grid point 28 (21/104) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 32.564 -32.564 -0.000) 46.053 1.821 ( 39.063 -39.063 -0.000) 55.244 2.320 ( 49.452 -49.452 -0.000) 69.936 6.661 ( -0.178 0.178 0.000) 0.252 6.804 ( 5.668 -5.668 -0.000) 8.015 7.004 ( -3.177 3.177 0.000) 4.493 7.088 ( 0.252 -0.252 -0.000) 0.356 7.176 ( 4.625 -4.625 -0.000) 6.541 11.086 ( -2.956 2.956 0.000) 4.180 11.802 ( 14.106 -14.106 -0.000) 19.948 11.837 ( 15.620 -15.620 -0.000) 22.091 12.111 ( 26.333 -26.333 -0.000) 37.241 24.042 ( -7.682 7.682 0.000) 10.864 24.204 ( -0.537 0.537 0.000) 0.759 24.245 ( 1.144 -1.144 -0.000) 1.618 26.288 ( -6.599 6.599 0.000) 9.332 26.410 ( -1.670 1.670 0.000) 2.361 26.670 ( -0.069 0.069 0.000) 0.097 29.257 ( -3.979 3.979 0.000) 5.627 29.287 ( -2.741 2.741 0.000) 3.877 29.293 ( -2.509 2.509 0.000) 3.548 54.303 ( -2.775 2.775 0.000) 3.924 54.365 ( -0.274 0.274 0.000) 0.388 55.333 ( -1.484 1.484 0.000) 2.098 56.677 ( 3.018 -3.018 -0.000) 4.268 56.693 ( 3.799 -3.799 -0.000) 5.372 57.460 ( -3.168 3.168 0.000) 4.480 ======================= Grid point 31 (22/104) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -0.000 0.000 43.419) 43.419 2.072 ( -0.000 0.000 43.419) 43.419 3.565 ( -0.000 0.000 74.263) 74.263 6.650 ( 0.000 -0.000 -0.785) 0.785 6.650 ( 0.000 -0.000 -0.785) 0.785 6.793 ( 0.000 -0.000 -11.993) 11.993 7.249 ( -0.000 0.000 6.956) 6.956 7.249 ( -0.000 0.000 6.956) 6.956 11.185 ( -0.000 0.000 1.219) 1.219 11.526 ( -0.000 0.000 2.093) 2.093 12.709 ( -0.000 0.000 49.780) 49.780 12.709 ( -0.000 0.000 49.780) 49.780 23.975 ( 0.000 -0.000 -9.970) 9.970 24.190 ( 0.000 -0.000 -1.352) 1.352 24.190 ( 0.000 -0.000 -1.352) 1.352 26.377 ( 0.000 -0.000 -2.959) 2.959 26.377 ( 0.000 -0.000 -2.959) 2.959 26.409 ( 0.000 -0.000 -10.969) 10.969 29.162 ( 0.000 -0.000 -8.062) 8.062 29.162 ( 0.000 -0.000 -8.062) 8.062 29.303 ( 0.000 -0.000 -1.953) 1.953 54.359 ( 0.000 -0.000 -0.501) 0.501 54.359 ( 0.000 -0.000 -0.501) 0.501 55.004 ( 0.000 -0.000 -11.553) 11.553 56.643 ( -0.000 0.000 1.702) 1.702 57.010 ( -0.000 0.000 9.371) 9.371 57.437 ( 0.000 -0.000 -0.071) 0.071 ======================= Grid point 32 (23/104) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -11.513 11.513 38.380) 41.691 2.748 ( -16.465 16.465 38.008) 44.574 4.431 ( -4.591 4.591 67.801) 68.111 6.653 ( -0.822 0.822 -14.233) 14.280 6.665 ( -2.229 2.229 -1.339) 3.425 6.735 ( -7.620 7.620 -1.067) 10.829 7.314 ( 1.614 -1.614 7.825) 8.151 7.354 ( -1.893 1.893 8.072) 8.504 11.124 ( 6.207 -6.207 0.772) 8.811 11.717 ( -14.422 14.422 2.388) 20.536 13.357 ( -4.130 4.130 55.250) 55.558 13.363 ( -4.654 4.654 55.203) 55.594 23.767 ( 6.712 -6.712 -11.797) 15.141 24.164 ( 0.703 -0.703 -2.539) 2.726 24.209 ( -2.357 2.357 -1.674) 3.730 26.131 ( 6.748 -6.748 -8.972) 13.098 26.305 ( 3.020 -3.020 -3.359) 5.433 26.498 ( -7.911 7.911 -6.415) 12.897 29.051 ( 0.962 -0.962 -9.477) 9.574 29.053 ( 0.842 -0.842 -9.480) 9.555 29.256 ( 2.006 -2.006 -2.221) 3.603 54.301 ( 3.719 -3.719 -0.919) 5.340 54.335 ( 1.540 -1.540 -0.548) 2.246 54.982 ( -8.242 8.242 -11.349) 16.269 56.682 ( -1.562 1.562 1.905) 2.917 57.044 ( 1.858 -1.858 1.342) 2.951 57.446 ( 3.091 -3.091 7.851) 8.986 ======================= Grid point 33 (24/104) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -15.818 15.818 31.364) 38.524 3.582 ( -21.381 21.381 31.650) 43.773 5.259 ( -5.798 5.798 56.651) 57.242 6.507 ( -1.639 1.639 -16.257) 16.421 6.706 ( -3.067 3.067 -2.702) 5.110 6.937 ( -10.038 10.038 0.216) 14.198 7.356 ( 2.589 -2.589 8.337) 9.105 7.519 ( -4.165 4.165 9.374) 11.071 10.933 ( 10.575 -10.575 -0.852) 14.980 12.207 ( -25.893 25.893 2.482) 36.702 14.099 ( -5.512 5.512 55.154) 55.702 14.121 ( -6.411 6.411 55.078) 55.819 23.439 ( 9.580 -9.580 -12.685) 18.559 24.086 ( 2.749 -2.749 -4.853) 6.218 24.228 ( -0.560 0.560 -1.695) 1.871 25.913 ( 3.459 -3.459 -8.263) 9.602 26.176 ( 4.573 -4.573 -3.679) 7.440 26.603 ( -7.564 7.564 -5.963) 12.247 28.912 ( 1.440 -1.440 -10.036) 10.241 28.917 ( 1.241 -1.241 -10.048) 10.200 29.166 ( 3.696 -3.696 -2.296) 5.710 54.203 ( 3.516 -3.516 -1.128) 5.099 54.281 ( 2.634 -2.634 -0.526) 3.763 55.074 ( -10.434 10.434 -10.918) 18.356 56.752 ( -2.614 2.614 1.892) 4.153 56.978 ( 1.815 -1.815 -4.978) 5.601 57.471 ( 5.715 -5.715 13.968) 16.138 ======================= Grid point 34 (25/104) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.076 ( -16.058 16.058 24.675) 33.534 4.384 ( -19.892 19.892 26.823) 38.870 5.907 ( -2.938 2.938 34.422) 34.672 6.394 ( -4.438 4.438 -10.954) 12.625 6.724 ( -1.839 1.839 -4.669) 5.345 7.163 ( -7.833 7.833 2.828) 11.433 7.393 ( 2.345 -2.345 8.434) 9.063 7.764 ( -7.384 7.384 11.625) 15.626 10.634 ( 13.612 -13.612 -3.556) 19.576 12.903 ( -32.479 32.479 2.310) 45.990 14.800 ( -3.577 3.577 48.837) 49.098 14.845 ( -4.716 4.716 49.012) 49.463 23.078 ( 10.063 -10.063 -10.551) 17.716 23.933 ( 4.795 -4.795 -6.396) 9.321 24.176 ( 3.597 -3.597 -2.008) 5.469 25.802 ( -0.515 0.515 -5.580) 5.628 26.033 ( 3.767 -3.767 -4.374) 6.893 26.703 ( -7.211 7.211 -5.953) 11.809 28.770 ( 1.237 -1.237 -9.423) 9.584 28.780 ( 1.007 -1.007 -9.429) 9.536 29.043 ( 4.791 -4.791 -2.153) 7.109 54.126 ( 2.479 -2.479 -0.469) 3.537 54.210 ( 3.077 -3.077 -0.451) 4.375 55.191 ( -10.758 10.758 -10.972) 18.758 56.837 ( -2.958 2.958 1.678) 4.508 56.865 ( 1.723 -1.723 -7.329) 7.723 57.497 ( 7.089 -7.089 16.072) 18.942 ======================= Grid point 35 (26/104) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.660 ( -13.738 13.738 18.830) 27.057 5.058 ( -14.149 14.149 23.378) 30.772 6.007 ( 0.577 -0.577 -10.882) 10.913 6.604 ( -7.120 7.120 14.942) 18.018 6.672 ( 0.843 -0.843 -6.727) 6.832 7.326 ( -2.432 2.432 4.708) 5.830 7.443 ( 1.420 -1.420 7.812) 8.066 8.124 ( -10.594 10.594 15.811) 21.782 10.248 ( 15.151 -15.151 -6.786) 22.476 13.679 ( -33.239 33.239 1.903) 47.046 15.310 ( 1.885 -1.885 36.082) 36.180 15.388 ( 0.651 -0.651 37.055) 37.067 22.780 ( 8.367 -8.367 -4.147) 12.538 23.760 ( 4.424 -4.424 -4.004) 7.427 24.021 ( 7.658 -7.658 -2.311) 11.074 25.798 ( -3.174 3.174 -3.200) 5.512 25.917 ( 1.388 -1.388 -5.946) 6.261 26.789 ( -6.570 6.570 -6.575) 11.383 28.655 ( 0.230 -0.230 -7.486) 7.493 28.670 ( 0.010 -0.010 -7.434) 7.434 28.909 ( 4.975 -4.975 -1.787) 7.259 54.083 ( 1.513 -1.513 0.874) 2.311 54.137 ( 2.870 -2.870 -0.342) 4.074 55.303 ( -10.398 10.398 -11.942) 18.943 56.749 ( 1.308 -1.308 -6.737) 6.986 56.918 ( -2.616 2.616 1.312) 3.925 57.509 ( 7.791 -7.791 15.739) 19.213 ======================= Grid point 36 (27/104) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.106 ( -8.867 8.867 14.070) 18.847 5.464 ( 1.334 -1.334 13.212) 13.346 5.893 ( -7.754 7.754 -12.278) 16.462 6.541 ( 2.673 -2.673 -8.724) 9.507 6.871 ( -4.985 4.985 6.939) 9.891 7.365 ( 3.494 -3.494 3.975) 6.341 7.497 ( 1.195 -1.195 6.599) 6.812 8.557 ( -8.427 8.427 19.467) 22.826 9.828 ( 12.392 -12.392 -9.725) 20.043 14.396 ( -27.553 27.553 1.391) 38.991 15.492 ( 9.873 -9.873 18.837) 23.448 15.613 ( 8.899 -8.899 20.952) 24.441 22.627 ( 5.479 -5.479 4.830) 9.131 23.680 ( 1.356 -1.356 2.462) 3.121 23.813 ( 7.727 -7.727 -1.564) 11.039 25.830 ( -0.616 0.616 -8.318) 8.364 25.853 ( -3.864 3.864 -2.004) 5.821 26.846 ( -5.466 5.466 -7.579) 10.825 28.600 ( -1.455 1.455 -4.550) 4.993 28.621 ( -1.621 1.621 -4.372) 4.936 28.789 ( 3.945 -3.945 -1.232) 5.713 54.077 ( 2.136 -2.136 -0.220) 3.028 54.077 ( 0.721 -0.721 2.585) 2.779 55.381 ( -9.176 9.176 -13.812) 18.951 56.669 ( -0.029 0.029 -4.274) 4.274 56.980 ( -1.734 1.734 0.862) 2.599 57.498 ( 8.205 -8.205 14.217) 18.351 ======================= Grid point 37 (28/104) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.279 ( 11.412 -11.412 -9.321) 18.637 5.342 ( 0.851 -0.851 9.533) 9.608 6.098 ( -8.291 8.291 4.625) 12.604 6.392 ( 0.063 -0.063 -9.612) 9.613 6.990 ( -3.371 3.371 -1.867) 5.120 7.253 ( 8.968 -8.968 1.001) 12.723 7.528 ( 2.150 -2.150 5.147) 5.978 8.778 ( 10.426 -10.426 14.477) 20.664 9.623 ( -6.081 6.081 -5.018) 9.956 14.900 ( -14.518 14.518 1.061) 20.559 15.296 ( 17.098 -17.098 2.197) 24.279 15.456 ( 17.725 -17.725 5.104) 25.582 22.626 ( 2.796 -2.796 10.345) 11.075 23.690 ( 2.378 -2.378 1.858) 3.843 23.758 ( -2.203 2.203 9.055) 9.576 25.751 ( -1.767 1.767 -10.365) 10.662 25.916 ( -3.315 3.315 -1.221) 4.844 26.863 ( -3.940 3.940 -8.278) 9.978 28.620 ( -3.336 3.336 -1.511) 4.953 28.645 ( -3.238 3.238 -1.195) 4.732 28.714 ( 1.497 -1.497 -0.635) 2.210 54.039 ( 1.045 -1.045 -0.102) 1.482 54.107 ( 0.121 -0.121 4.328) 4.332 55.399 ( -7.089 7.089 -15.537) 18.491 56.662 ( -2.273 2.273 -1.452) 3.528 57.013 ( -0.513 0.513 0.409) 0.833 57.460 ( 8.395 -8.395 12.155) 16.991 ======================= Grid point 38 (29/104) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.837 ( 15.651 -15.651 -14.110) 26.248 5.239 ( 14.377 -14.377 2.915) 20.539 6.234 ( 3.085 -3.085 4.374) 6.178 6.371 ( -6.371 6.371 -6.686) 11.220 6.992 ( -1.067 1.067 -11.185) 11.287 7.018 ( 8.712 -8.712 1.676) 12.434 7.510 ( 3.906 -3.906 3.603) 6.596 8.495 ( 19.510 -19.510 4.985) 28.038 9.912 ( -15.190 15.190 4.317) 21.912 14.752 ( 23.524 -23.524 -7.232) 34.045 14.962 ( 24.638 -24.638 -5.887) 35.338 15.096 ( 1.769 -1.769 -0.659) 2.587 22.721 ( -1.703 1.703 9.116) 9.429 23.758 ( -3.379 3.379 6.711) 8.238 23.952 ( -3.853 3.853 11.390) 12.626 25.684 ( -3.008 3.008 -10.483) 11.313 25.978 ( -2.766 2.766 0.443) 3.936 26.839 ( -2.223 2.223 -8.211) 8.792 28.700 ( -1.532 1.532 0.272) 2.183 28.710 ( -4.815 4.815 0.666) 6.842 28.744 ( -4.558 4.558 0.613) 6.475 54.029 ( -0.215 0.215 -0.008) 0.304 54.166 ( -0.270 0.270 5.680) 5.693 55.357 ( -5.012 5.012 -15.605) 17.139 56.732 ( -4.268 4.268 0.194) 6.039 57.011 ( 0.833 -0.833 0.040) 1.179 57.396 ( 8.174 -8.174 9.839) 15.181 ======================= Grid point 39 (30/104) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( 20.643 -20.643 -14.415) 32.559 4.809 ( 23.191 -23.191 -1.738) 32.843 5.952 ( 22.576 -22.576 -2.641) 32.037 6.489 ( -8.302 8.302 -3.563) 12.270 6.832 ( 3.618 -3.618 -1.884) 5.452 6.978 ( -3.236 3.236 -6.805) 8.201 7.432 ( 5.849 -5.849 2.092) 8.533 8.116 ( 17.455 -17.455 3.046) 24.873 10.300 ( -13.655 13.655 5.198) 19.998 14.060 ( 27.081 -27.081 -11.260) 39.919 14.261 ( 28.488 -28.488 -10.135) 41.543 14.868 ( 17.846 -17.846 -0.426) 25.242 22.919 ( -8.415 8.415 5.824) 13.249 23.941 ( -4.645 4.645 7.196) 9.743 24.150 ( -3.025 3.025 8.603) 9.608 25.669 ( -5.120 5.120 -7.626) 10.516 26.062 ( -3.020 3.020 3.245) 5.364 26.783 ( -0.741 0.741 -7.361) 7.435 28.767 ( -4.040 4.040 0.422) 5.729 28.842 ( -5.557 5.557 1.549) 8.010 28.873 ( -5.373 5.373 1.561) 7.757 54.048 ( -1.458 1.458 0.048) 2.063 54.242 ( -0.450 0.450 5.986) 6.020 55.287 ( -3.650 3.650 -13.365) 14.327 56.841 ( -4.558 4.558 0.616) 6.476 56.977 ( 2.101 -2.101 -0.175) 2.976 57.319 ( 6.896 -6.896 7.197) 12.121 ======================= Grid point 40 (31/104) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 25.660 -25.660 -10.676) 37.826 4.190 ( 28.983 -28.983 -2.646) 41.074 5.254 ( 33.989 -33.989 -4.453) 48.273 6.642 ( -7.603 7.603 -1.610) 10.872 6.740 ( 2.329 -2.329 -3.004) 4.458 7.007 ( -3.534 3.534 -2.550) 5.611 7.298 ( 7.361 -7.361 0.811) 10.441 7.786 ( 14.133 -14.133 1.706) 20.060 10.626 ( -10.735 10.735 3.330) 15.543 13.328 ( 27.120 -27.120 -8.351) 39.252 13.498 ( 29.129 -29.129 -7.865) 41.939 14.316 ( 29.657 -29.657 -0.334) 41.942 23.217 ( -13.017 13.017 3.006) 18.652 24.090 ( -3.072 3.072 3.232) 5.415 24.265 ( -1.048 1.048 3.663) 3.951 25.753 ( -7.526 7.526 -2.989) 11.055 26.185 ( -3.573 3.573 4.555) 6.803 26.715 ( 0.140 -0.140 -5.258) 5.262 28.883 ( -5.677 5.677 0.342) 8.036 28.985 ( -5.545 5.545 1.228) 7.938 29.011 ( -5.260 5.260 1.221) 7.538 54.094 ( -2.502 2.502 0.052) 3.539 54.313 ( -0.473 0.473 4.236) 4.288 55.235 ( -2.888 2.888 -8.269) 9.222 56.916 ( 3.101 -3.101 -0.191) 4.390 56.923 ( -1.196 1.196 0.802) 1.872 57.266 ( 2.628 -2.628 3.629) 5.195 ======================= Grid point 41 (32/104) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 428 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 29.414 -29.414 -0.000) 41.598 3.466 ( 33.365 -33.365 -0.000) 47.185 4.375 ( 40.831 -40.831 -0.000) 57.744 6.677 ( 1.247 -1.247 -0.000) 1.763 6.790 ( -6.267 6.267 0.000) 8.863 7.058 ( -2.012 2.012 0.000) 2.846 7.127 ( 7.939 -7.939 -0.000) 11.227 7.516 ( 10.723 -10.723 -0.000) 15.165 10.853 ( -7.713 7.713 0.000) 10.908 12.690 ( 24.466 -24.466 -0.000) 34.600 12.814 ( 26.687 -26.687 -0.000) 37.741 13.575 ( 34.787 -34.787 -0.000) 49.197 23.543 ( -13.634 13.634 0.000) 19.281 24.157 ( -1.680 1.680 0.000) 2.376 24.289 ( 0.424 -0.424 -0.000) 0.599 25.924 ( -8.655 8.655 0.000) 12.241 26.297 ( -3.337 3.337 0.000) 4.719 26.675 ( 0.328 -0.328 -0.000) 0.463 29.020 ( -6.050 6.050 0.000) 8.556 29.111 ( -4.926 4.926 0.000) 6.967 29.130 ( -4.601 4.601 0.000) 6.506 54.159 ( -3.169 3.169 0.000) 4.481 54.349 ( -0.439 0.439 0.000) 0.620 55.245 ( -2.380 2.380 0.000) 3.366 56.837 ( 3.665 -3.665 -0.000) 5.183 56.895 ( 3.815 -3.815 -0.000) 5.396 57.294 ( -2.840 2.840 0.000) 4.016 ======================= Grid point 46 (33/104) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( -0.000 0.000 38.800) 38.800 3.002 ( -0.000 0.000 38.800) 38.800 5.148 ( -0.000 0.000 65.598) 65.598 6.474 ( 0.000 -0.000 -15.911) 15.911 6.626 ( 0.000 -0.000 -1.402) 1.402 6.626 ( 0.000 -0.000 -1.402) 1.402 7.424 ( -0.000 0.000 8.324) 8.324 7.424 ( -0.000 0.000 8.324) 8.324 11.206 ( -0.000 0.000 0.463) 0.463 11.580 ( -0.000 0.000 2.598) 2.598 13.970 ( -0.000 0.000 60.306) 60.306 13.970 ( -0.000 0.000 60.306) 60.306 23.717 ( 0.000 -0.000 -12.568) 12.568 24.143 ( 0.000 -0.000 -2.900) 2.900 24.143 ( 0.000 -0.000 -2.900) 2.900 26.125 ( 0.000 -0.000 -13.870) 13.870 26.300 ( 0.000 -0.000 -3.765) 3.765 26.300 ( 0.000 -0.000 -3.765) 3.765 28.946 ( 0.000 -0.000 -10.915) 10.915 28.946 ( 0.000 -0.000 -10.915) 10.915 29.253 ( 0.000 -0.000 -2.441) 2.441 54.347 ( 0.000 -0.000 -0.606) 0.606 54.347 ( 0.000 -0.000 -0.606) 0.606 54.754 ( 0.000 -0.000 -10.317) 10.317 56.687 ( -0.000 0.000 2.121) 2.121 57.026 ( 0.000 -0.000 -6.427) 6.427 57.614 ( -0.000 0.000 13.962) 13.962 ======================= Grid point 47 (34/104) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( -7.387 7.387 34.286) 35.842 3.565 ( -12.074 12.074 34.026) 38.070 5.854 ( 0.065 -0.065 57.326) 57.326 6.295 ( -0.608 0.608 -16.978) 17.000 6.626 ( -1.578 1.578 -2.238) 3.160 6.709 ( -8.390 8.390 -0.887) 11.899 7.500 ( 1.635 -1.635 8.374) 8.687 7.546 ( -2.385 2.385 8.647) 9.282 11.131 ( 6.657 -6.657 -0.370) 9.422 11.775 ( -14.377 14.377 2.643) 20.504 14.677 ( -1.546 1.546 60.140) 60.180 14.683 ( -2.035 2.035 60.160) 60.229 23.487 ( 6.780 -6.780 -12.564) 15.805 24.086 ( 1.706 -1.706 -4.417) 5.033 24.148 ( -3.026 3.026 -3.821) 5.738 25.898 ( 4.245 -4.245 -11.292) 12.789 26.221 ( 3.028 -3.028 -4.028) 5.879 26.356 ( -7.136 7.136 -6.033) 11.757 28.812 ( 0.524 -0.524 -11.469) 11.493 28.813 ( 0.411 -0.411 -11.472) 11.487 29.203 ( 1.935 -1.935 -2.470) 3.686 54.280 ( 4.008 -4.008 -0.865) 5.734 54.322 ( 1.499 -1.499 -0.591) 2.201 54.747 ( -7.767 7.767 -9.314) 14.402 56.728 ( -1.446 1.446 2.115) 2.943 56.928 ( 0.830 -0.830 -8.589) 8.669 57.744 ( 3.187 -3.187 15.406) 16.052 ======================= Grid point 48 (35/104) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( -10.772 10.772 28.110) 31.973 4.256 ( -17.346 17.346 27.693) 36.996 6.089 ( 1.017 -1.017 -14.683) 14.753 6.416 ( -0.541 0.541 35.925) 35.933 6.633 ( -1.789 1.789 -3.815) 4.578 6.975 ( -11.543 11.543 6.973) 17.751 7.544 ( 2.523 -2.523 8.037) 8.793 7.732 ( -5.489 5.489 9.234) 12.063 10.905 ( 12.089 -12.089 -1.720) 17.183 12.264 ( -25.731 25.731 2.483) 36.473 15.349 ( 0.156 -0.156 54.033) 54.033 15.372 ( -0.829 0.829 54.325) 54.338 23.176 ( 8.607 -8.607 -9.982) 15.741 23.964 ( 3.810 -3.810 -5.716) 7.855 24.159 ( -1.593 1.593 -4.629) 5.148 25.730 ( 0.721 -0.721 -7.923) 7.988 26.080 ( 4.827 -4.827 -4.711) 8.294 26.453 ( -7.798 7.798 -7.088) 13.110 28.673 ( 0.421 -0.421 -10.829) 10.846 28.678 ( 0.224 -0.224 -10.825) 10.830 29.113 ( 3.542 -3.542 -2.296) 5.510 54.188 ( 3.272 -3.272 -0.154) 4.630 54.269 ( 2.563 -2.563 -0.514) 3.661 54.842 ( -9.479 9.479 -9.474) 16.415 56.796 ( -2.394 2.394 1.900) 3.883 56.806 ( 1.083 -1.083 -8.729) 8.863 57.820 ( 5.405 -5.405 15.359) 17.156 ======================= Grid point 49 (36/104) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.607 ( -11.332 11.332 22.007) 27.224 4.935 ( -17.639 17.639 21.663) 33.039 5.881 ( 1.526 -1.526 -16.805) 16.943 6.605 ( -0.261 0.261 -5.871) 5.882 6.736 ( -1.296 1.296 18.368) 18.459 7.312 ( -5.849 5.849 13.707) 16.009 7.574 ( 2.359 -2.359 7.361) 8.082 8.022 ( -10.612 10.612 10.803) 18.492 10.555 ( 16.166 -16.166 -3.424) 23.117 12.953 ( -32.181 32.181 2.087) 45.559 15.838 ( 5.416 -5.416 41.658) 42.356 15.896 ( 3.928 -3.928 42.770) 43.129 22.915 ( 7.109 -7.109 -3.176) 10.543 23.813 ( 3.960 -3.960 -3.715) 6.720 24.097 ( 2.364 -2.364 -5.389) 6.342 25.684 ( -2.820 2.820 -5.055) 6.439 25.910 ( 4.476 -4.476 -6.269) 8.909 26.542 ( -7.557 7.557 -7.938) 13.313 28.559 ( -0.429 0.429 -8.872) 8.893 28.570 ( -0.682 0.682 -8.815) 8.868 28.996 ( 4.542 -4.542 -1.929) 6.706 54.136 ( 1.974 -1.974 1.391) 3.119 54.200 ( 2.991 -2.991 -0.401) 4.249 54.946 ( -9.549 9.549 -10.575) 17.153 56.691 ( 0.776 -0.776 -7.501) 7.581 56.873 ( -2.664 2.664 1.527) 4.065 57.848 ( 6.867 -6.867 14.314) 17.298 ======================= Grid point 50 (37/104) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.068 ( -9.845 9.845 16.967) 21.949 5.518 ( -13.379 13.379 16.770) 25.283 5.644 ( 1.646 -1.646 -16.867) 17.027 6.503 ( 2.394 -2.394 -8.126) 8.804 6.909 ( -0.608 0.608 9.000) 9.041 7.495 ( 1.681 -1.681 10.213) 10.486 7.605 ( 1.778 -1.778 6.266) 6.752 8.450 ( -15.184 15.184 12.072) 24.634 10.112 ( 18.592 -18.592 -4.990) 26.762 13.718 ( -32.875 32.875 1.529) 46.517 16.007 ( 13.288 -13.288 24.925) 31.215 16.122 ( 11.568 -11.568 27.122) 31.674 22.806 ( 4.293 -4.293 6.663) 9.014 23.739 ( 1.318 -1.318 2.172) 2.862 23.937 ( 5.741 -5.741 -5.525) 9.821 25.724 ( -4.640 4.640 -3.657) 7.512 25.746 ( 2.484 -2.484 -8.640) 9.327 26.611 ( -6.807 6.807 -8.580) 12.896 28.501 ( -1.928 1.928 -5.932) 6.528 28.519 ( -2.206 2.206 -5.777) 6.565 28.872 ( 4.630 -4.630 -1.410) 6.698 54.130 ( 0.931 -0.931 3.260) 3.515 54.130 ( 2.780 -2.780 -0.274) 3.941 55.027 ( -8.846 8.846 -12.135) 17.428 56.611 ( -0.240 0.240 -5.210) 5.221 56.945 ( -2.283 2.283 1.069) 3.401 57.834 ( 7.827 -7.827 12.481) 16.682 ======================= Grid point 51 (38/104) ======================= q-point: (-0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.348 ( 6.930 -6.930 -14.255) 17.299 5.421 ( -5.608 5.608 13.740) 15.865 5.986 ( -11.689 11.689 11.796) 20.308 6.321 ( 3.831 -3.831 -10.549) 11.858 6.967 ( 1.602 -1.602 3.020) 3.776 7.471 ( 7.541 -7.541 4.161) 11.448 7.629 ( 1.781 -1.781 4.783) 5.406 8.933 ( -13.534 13.534 12.668) 22.953 9.635 ( 16.277 -16.277 -6.718) 23.979 14.422 ( -27.253 27.253 0.961) 38.554 15.804 ( 21.155 -21.155 9.144) 31.284 15.982 ( 19.907 -19.907 11.724) 30.497 22.841 ( 3.877 -3.877 13.047) 14.153 23.763 ( 3.801 -3.801 -3.183) 6.248 23.809 ( -2.104 2.104 8.048) 8.580 25.606 ( 0.260 -0.260 -10.609) 10.615 25.797 ( -5.026 5.026 -2.988) 7.710 26.656 ( -5.656 5.656 -8.372) 11.579 28.515 ( -3.669 3.669 -2.879) 5.934 28.541 ( -3.898 3.898 -2.664) 6.123 28.765 ( 3.540 -3.540 -0.823) 5.074 54.073 ( 2.050 -2.050 -0.154) 2.904 54.164 ( 0.204 -0.204 4.963) 4.971 55.068 ( -7.493 7.493 -13.245) 16.963 56.591 ( -1.927 1.927 -2.610) 3.774 56.997 ( -1.404 1.404 0.611) 2.077 57.778 ( 8.390 -8.390 10.045) 15.546 ======================= Grid point 53 (39/104) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.996 ( 11.342 -11.342 -11.716) 19.863 5.563 ( 7.334 -7.334 9.622) 14.148 6.165 ( -2.998 2.998 -9.970) 10.834 6.319 ( -6.127 6.127 11.032) 14.028 6.900 ( 4.009 -4.009 -3.959) 6.916 7.266 ( 11.352 -11.352 -0.966) 16.083 7.624 ( 2.763 -2.763 3.087) 4.981 9.001 ( 19.441 -19.441 5.104) 27.964 9.569 ( -16.754 16.754 0.126) 23.694 14.919 ( -14.842 14.842 0.658) 21.000 15.300 ( 26.403 -26.403 -0.953) 37.352 15.521 ( 26.520 -26.520 1.207) 37.524 22.867 ( 5.113 -5.113 9.220) 11.718 23.754 ( -2.875 2.875 3.458) 5.337 23.984 ( -3.902 3.902 9.378) 10.881 25.504 ( -1.863 1.863 -10.189) 10.524 25.883 ( -4.968 4.968 -1.651) 7.218 26.679 ( -4.042 4.042 -6.946) 8.996 28.596 ( -5.113 5.113 -0.655) 7.261 28.628 ( -5.161 5.161 -0.450) 7.313 28.703 ( 1.223 -1.223 -0.330) 1.761 54.037 ( 0.972 -0.972 -0.058) 1.376 54.226 ( -0.218 0.218 5.716) 5.724 55.072 ( -5.906 5.906 -12.392) 14.944 56.638 ( -3.748 3.748 -0.715) 5.349 57.020 ( -0.227 0.227 0.236) 0.399 57.683 ( 8.548 -8.548 7.135) 14.038 ======================= Grid point 54 (40/104) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.571 ( 16.834 -16.834 -7.150) 24.858 5.294 ( 19.616 -19.616 1.550) 27.785 6.254 ( -9.193 9.193 -3.027) 13.349 6.414 ( 13.957 -13.957 9.141) 21.752 6.753 ( -3.290 3.290 -9.309) 10.407 7.010 ( 8.760 -8.760 -1.094) 12.437 7.569 ( 4.419 -4.419 1.404) 6.405 8.568 ( 20.102 -20.102 1.575) 28.472 9.991 ( -17.265 17.265 2.106) 24.507 14.624 ( 29.540 -29.540 -3.274) 41.904 14.860 ( 30.296 -30.296 -2.580) 42.923 15.088 ( 1.439 -1.439 -0.138) 2.039 22.868 ( -0.271 0.271 3.389) 3.411 23.908 ( -4.948 4.948 4.877) 8.529 24.159 ( -3.517 3.517 5.522) 7.432 25.478 ( -4.323 4.323 -5.984) 8.555 25.989 ( -5.113 5.113 0.392) 7.242 26.683 ( -2.056 2.056 -4.327) 5.213 28.704 ( -1.636 1.636 0.089) 2.316 28.721 ( -5.920 5.920 0.286) 8.376 28.755 ( -5.843 5.843 0.284) 8.268 54.029 ( -0.268 0.268 -0.003) 0.379 54.293 ( -0.394 0.394 4.244) 4.280 55.070 ( -4.570 4.570 -8.049) 10.323 56.735 ( -4.943 4.943 0.062) 6.990 57.012 ( 1.039 -1.039 0.018) 1.470 57.555 ( 8.185 -8.185 3.792) 12.180 ======================= Grid point 55 (41/104) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.086 ( 22.264 -22.264 -0.000) 31.486 4.790 ( 25.068 -25.068 -0.000) 35.452 5.936 ( 27.845 -27.845 -0.000) 39.379 6.446 ( -8.836 8.836 0.000) 12.496 6.796 ( 1.880 -1.880 -0.000) 2.658 6.899 ( -2.508 2.508 0.000) 3.547 7.457 ( 6.153 -6.153 -0.000) 8.702 8.153 ( 17.428 -17.428 -0.000) 24.647 10.362 ( -14.256 14.256 0.000) 20.161 13.928 ( 29.593 -29.593 -0.000) 41.851 14.143 ( 31.123 -31.123 -0.000) 44.014 14.863 ( 17.966 -17.966 -0.000) 25.407 22.985 ( -8.291 8.291 0.000) 11.725 24.038 ( -3.781 3.781 0.000) 5.347 24.254 ( -2.132 2.132 0.000) 3.015 25.570 ( -6.594 6.594 0.000) 9.325 26.110 ( -4.921 4.921 0.000) 6.959 26.683 ( -0.419 0.419 0.000) 0.592 28.772 ( -4.177 4.177 0.000) 5.907 28.860 ( -6.028 6.028 0.000) 8.525 28.891 ( -5.833 5.833 0.000) 8.248 54.049 ( -1.486 1.486 0.000) 2.101 54.328 ( -0.447 0.447 0.000) 0.632 55.114 ( -3.599 3.599 0.000) 5.090 56.849 ( -4.778 4.778 0.000) 6.758 56.975 ( 2.205 -2.205 -0.000) 3.118 57.405 ( 6.888 -6.888 -0.000) 9.740 ======================= Grid point 62 (42/104) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( -0.000 0.000 32.616) 32.616 3.810 ( -0.000 0.000 32.616) 32.616 6.096 ( 0.000 -0.000 -17.168) 17.168 6.501 ( -0.000 0.000 54.037) 54.037 6.582 ( 0.000 -0.000 -2.516) 2.516 6.582 ( 0.000 -0.000 -2.516) 2.516 7.612 ( -0.000 0.000 8.083) 8.083 7.612 ( -0.000 0.000 8.083) 8.083 11.199 ( 0.000 -0.000 -1.191) 1.191 11.640 ( -0.000 0.000 2.585) 2.585 15.349 ( -0.000 0.000 60.296) 60.296 15.349 ( -0.000 0.000 60.296) 60.296 23.427 ( 0.000 -0.000 -12.724) 12.724 24.054 ( 0.000 -0.000 -5.142) 5.142 24.054 ( 0.000 -0.000 -5.142) 5.142 25.804 ( 0.000 -0.000 -14.090) 14.090 26.213 ( 0.000 -0.000 -3.843) 3.843 26.213 ( 0.000 -0.000 -3.843) 3.843 28.684 ( 0.000 -0.000 -11.972) 11.972 28.684 ( 0.000 -0.000 -11.972) 11.972 29.197 ( 0.000 -0.000 -2.447) 2.447 54.333 ( 0.000 -0.000 -0.587) 0.587 54.333 ( 0.000 -0.000 -0.587) 0.587 54.548 ( 0.000 -0.000 -7.860) 7.860 56.736 ( -0.000 0.000 2.119) 2.119 56.833 ( 0.000 -0.000 -9.513) 9.513 57.950 ( -0.000 0.000 14.620) 14.620 ======================= Grid point 63 (43/104) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.214 ( -4.981 4.981 28.016) 28.888 4.265 ( -9.248 9.248 27.697) 30.630 5.905 ( 0.005 -0.005 -16.680) 16.680 6.561 ( -0.927 0.927 -3.483) 3.722 6.604 ( -4.158 4.158 -0.093) 5.881 7.087 ( -1.643 1.643 42.960) 43.023 7.680 ( 1.681 -1.681 7.356) 7.731 7.732 ( -2.892 2.892 7.623) 8.651 11.103 ( 6.798 -6.798 -2.107) 9.842 11.833 ( -14.342 14.342 2.375) 20.421 15.992 ( 1.599 -1.599 54.795) 54.841 15.999 ( 0.955 -0.955 54.944) 54.960 23.223 ( 5.236 -5.236 -10.378) 12.748 23.965 ( 2.061 -2.061 -6.139) 6.796 24.031 ( -3.129 3.129 -6.619) 7.962 25.640 ( 0.554 -0.554 -11.147) 11.175 26.130 ( 3.469 -3.469 -3.880) 6.255 26.231 ( -4.974 4.974 -4.971) 8.613 28.551 ( -0.044 0.044 -11.252) 11.252 28.552 ( -0.159 0.159 -11.246) 11.248 29.149 ( 1.861 -1.861 -2.230) 3.449 54.264 ( 3.663 -3.663 -0.464) 5.201 54.310 ( 1.461 -1.461 -0.517) 2.130 54.565 ( -6.763 6.763 -6.854) 11.767 56.721 ( 0.415 -0.415 -9.056) 9.075 56.774 ( -1.336 1.336 1.907) 2.684 58.075 ( 2.772 -2.772 13.390) 13.952 ======================= Grid point 64 (44/104) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.644 ( -7.640 7.640 22.272) 24.754 4.810 ( -13.989 13.989 21.055) 28.891 5.718 ( 0.590 -0.590 -15.468) 15.490 6.534 ( -0.572 0.572 -4.875) 4.942 6.742 ( -7.372 7.372 0.310) 10.430 7.522 ( 1.026 -1.026 31.708) 31.742 7.707 ( 2.510 -2.510 6.290) 7.223 7.924 ( -6.952 6.952 7.559) 12.401 10.854 ( 12.628 -12.628 -2.772) 18.073 12.316 ( -25.593 25.593 1.996) 36.250 16.461 ( 6.751 -6.751 43.107) 44.152 16.498 ( 5.264 -5.264 43.937) 44.563 23.017 ( 4.917 -4.917 -3.611) 7.835 23.843 ( 2.645 -2.645 -4.625) 5.948 24.012 ( -2.160 2.160 -8.513) 9.044 25.555 ( -2.364 2.364 -7.549) 8.256 25.973 ( 6.033 -6.033 -4.514) 9.653 26.298 ( -6.330 6.330 -6.235) 10.909 28.442 ( -0.763 0.763 -9.226) 9.289 28.448 ( -0.985 0.985 -9.182) 9.287 29.066 ( 3.395 -3.395 -1.841) 5.143 54.199 ( 2.294 -2.294 1.229) 3.469 54.259 ( 2.504 -2.504 -0.403) 3.564 54.648 ( -7.538 7.538 -7.786) 13.201 56.618 ( 0.315 -0.315 -7.539) 7.552 56.835 ( -2.203 2.203 1.529) 3.471 58.130 ( 4.903 -4.903 11.731) 13.627 ======================= Grid point 65 (45/104) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.049 ( -8.617 8.617 16.687) 20.663 5.337 ( -14.601 14.601 12.751) 24.269 5.532 ( 1.400 -1.400 -12.097) 12.258 6.465 ( 1.408 -1.408 -6.336) 6.642 6.914 ( -6.159 6.159 1.922) 8.920 7.715 ( 2.333 -2.333 4.990) 5.982 7.737 ( 5.262 -5.262 19.156) 20.550 8.229 ( -12.618 12.618 6.989) 19.164 10.483 ( 17.133 -17.133 -2.797) 24.391 12.994 ( -31.943 31.943 1.455) 45.198 16.622 ( 14.520 -14.520 26.972) 33.900 16.715 ( 12.339 -12.339 28.769) 33.648 22.955 ( 1.834 -1.834 6.710) 7.194 23.777 ( 0.558 -0.558 0.395) 0.883 23.921 ( 0.909 -0.909 -10.368) 10.447 25.566 ( -4.708 4.708 -5.457) 8.608 25.769 ( 6.619 -6.619 -5.746) 10.984 26.370 ( -6.451 6.451 -6.725) 11.334 28.385 ( -2.071 2.071 -6.260) 6.911 28.398 ( -2.379 2.379 -6.144) 7.005 28.959 ( 4.331 -4.331 -1.331) 6.268 54.189 ( 0.976 -0.976 3.303) 3.579 54.193 ( 2.926 -2.926 -0.274) 4.147 54.721 ( -7.403 7.403 -9.200) 13.937 56.545 ( -0.361 0.361 -5.251) 5.276 56.903 ( -2.434 2.434 1.064) 3.603 58.121 ( 6.476 -6.476 9.538) 13.223 ======================= Grid point 66 (46/104) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.319 ( 3.813 -3.813 -10.672) 11.957 5.405 ( -8.509 8.509 12.286) 17.198 5.805 ( -13.949 13.949 8.367) 21.429 6.319 ( 4.673 -4.673 -7.645) 10.106 7.035 ( -1.494 1.494 3.214) 3.847 7.716 ( 1.865 -1.865 3.452) 4.344 7.727 ( 9.420 -9.420 8.775) 15.952 8.636 ( -17.545 17.545 4.422) 25.203 10.033 ( 20.072 -20.072 -1.945) 28.452 13.746 ( -32.618 32.618 0.857) 46.136 16.419 ( 22.181 -22.181 11.780) 33.508 16.585 ( 20.086 -20.086 13.756) 31.562 23.063 ( 0.993 -0.993 15.172) 15.237 23.753 ( 2.167 -2.167 -11.181) 11.593 23.833 ( -2.508 2.508 5.106) 6.217 25.563 ( 5.041 -5.041 -6.719) 9.796 25.632 ( -5.795 5.795 -4.159) 9.190 26.439 ( -6.064 6.064 -5.889) 10.404 28.397 ( -3.620 3.620 -3.204) 6.039 28.418 ( -3.946 3.946 -3.056) 6.363 28.847 ( 4.380 -4.380 -0.775) 6.242 54.125 ( 2.720 -2.720 -0.152) 3.850 54.224 ( 0.140 -0.140 4.773) 4.777 54.775 ( -6.873 6.873 -9.673) 13.713 56.520 ( -1.554 1.554 -2.778) 3.542 56.964 ( -2.057 2.057 0.600) 2.970 58.054 ( 7.579 -7.579 6.807) 12.697 ======================= Grid point 67 (47/104) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.100 ( 7.209 -7.209 -6.153) 11.908 5.709 ( -6.688 6.688 10.711) 14.289 6.082 ( 7.395 -7.395 -9.643) 14.226 6.174 ( -12.566 12.566 4.123) 18.243 7.035 ( 4.770 -4.770 2.403) 7.161 7.526 ( 12.501 -12.501 0.905) 17.703 7.704 ( 1.968 -1.968 1.723) 3.273 9.101 ( -19.374 19.374 2.743) 27.536 9.550 ( 20.775 -20.775 -1.076) 29.400 14.438 ( -27.084 27.084 0.348) 38.305 15.928 ( 27.438 -27.438 2.424) 38.879 16.151 ( 26.172 -26.172 3.566) 37.184 23.131 ( 8.040 -8.040 9.831) 15.031 23.670 ( -4.707 4.707 -4.154) 7.847 23.975 ( -4.250 4.250 4.943) 7.782 25.410 ( 2.012 -2.012 -5.338) 6.049 25.731 ( -6.170 6.170 -2.187) 8.996 26.513 ( -5.219 5.219 -3.553) 8.192 28.472 ( -4.947 4.947 -0.964) 7.062 28.501 ( -5.194 5.194 -0.869) 7.396 28.752 ( 3.307 -3.307 -0.289) 4.685 54.070 ( 2.004 -2.004 -0.055) 2.834 54.278 ( -0.225 0.225 4.031) 4.044 54.823 ( -6.170 6.170 -7.043) 11.213 56.552 ( -2.983 2.983 -0.879) 4.309 57.006 ( -1.222 1.222 0.221) 1.742 57.934 ( 8.245 -8.245 3.595) 12.201 ======================= Grid point 68 (48/104) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 428 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.853 ( 11.688 -11.688 -0.000) 16.530 5.712 ( 15.746 -15.746 -0.000) 22.268 6.012 ( -10.155 10.155 0.000) 14.362 6.466 ( -10.999 10.999 0.000) 15.555 6.852 ( 12.632 -12.632 -0.000) 17.865 7.240 ( 11.993 -11.993 -0.000) 16.961 7.660 ( 2.929 -2.929 -0.000) 4.142 9.047 ( 21.314 -21.314 -0.000) 30.143 9.582 ( -19.600 19.600 0.000) 27.718 14.927 ( -15.170 15.170 0.000) 21.454 15.285 ( 29.817 -29.817 -0.000) 42.168 15.531 ( 29.586 -29.586 -0.000) 41.841 22.978 ( 7.565 -7.565 -0.000) 10.699 23.805 ( -6.561 6.561 0.000) 9.278 24.104 ( -4.229 4.229 0.000) 5.981 25.372 ( -1.597 1.597 0.000) 2.258 25.859 ( -6.123 6.123 0.000) 8.660 26.594 ( -3.746 3.746 0.000) 5.298 28.589 ( -5.740 5.740 0.000) 8.118 28.623 ( -5.843 5.843 0.000) 8.263 28.699 ( 1.135 -1.135 -0.000) 1.605 54.036 ( 0.946 -0.946 -0.000) 1.338 54.310 ( -0.335 0.335 0.000) 0.474 54.911 ( -5.396 5.396 0.000) 7.630 56.630 ( -4.233 4.233 0.000) 5.987 57.023 ( -0.126 0.126 0.000) 0.178 57.766 ( 8.468 -8.468 -0.000) 11.976 ======================= Grid point 77 (49/104) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.461 ( -0.000 0.000 24.816) 24.816 4.461 ( -0.000 0.000 24.816) 24.816 5.727 ( 0.000 -0.000 -14.866) 14.866 6.511 ( 0.000 -0.000 -3.743) 3.743 6.511 ( 0.000 -0.000 -3.743) 3.743 7.563 ( -0.000 0.000 39.655) 39.655 7.777 ( -0.000 0.000 6.362) 6.362 7.777 ( -0.000 0.000 6.362) 6.362 11.152 ( 0.000 -0.000 -2.915) 2.915 11.693 ( -0.000 0.000 2.064) 2.064 16.613 ( -0.000 0.000 50.176) 50.176 16.613 ( -0.000 0.000 50.176) 50.176 23.162 ( 0.000 -0.000 -10.321) 10.321 23.914 ( 0.000 -0.000 -7.060) 7.060 23.914 ( 0.000 -0.000 -7.060) 7.060 25.511 ( 0.000 -0.000 -11.463) 11.463 26.133 ( 0.000 -0.000 -3.117) 3.117 26.133 ( 0.000 -0.000 -3.117) 3.117 28.426 ( 0.000 -0.000 -10.422) 10.422 28.426 ( 0.000 -0.000 -10.422) 10.422 29.146 ( 0.000 -0.000 -1.967) 1.967 54.321 ( 0.000 -0.000 -0.456) 0.456 54.321 ( 0.000 -0.000 -0.456) 0.456 54.402 ( 0.000 -0.000 -5.076) 5.076 56.627 ( 0.000 -0.000 -8.314) 8.314 56.780 ( -0.000 0.000 1.698) 1.698 58.245 ( -0.000 0.000 11.203) 11.203 ======================= Grid point 78 (50/104) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.756 ( -3.637 3.637 19.590) 20.254 4.797 ( -7.190 7.190 19.133) 21.667 5.570 ( 0.322 -0.322 -12.388) 12.396 6.472 ( -0.368 0.368 -4.229) 4.261 6.544 ( -6.476 6.476 -3.516) 9.811 7.821 ( 1.736 -1.736 5.012) 5.581 7.877 ( -2.909 2.909 5.839) 7.143 7.937 ( 2.071 -2.071 29.494) 29.639 11.041 ( 6.668 -6.668 -3.156) 9.944 11.879 ( -14.321 14.321 1.640) 20.319 17.072 ( 5.159 -5.159 39.394) 40.064 17.085 ( 4.077 -4.077 39.688) 40.105 23.039 ( 1.505 -1.505 -5.708) 6.091 23.822 ( 0.887 -0.887 -6.116) 6.243 23.858 ( -2.010 2.010 -8.213) 8.691 25.414 ( -1.753 1.753 -8.510) 8.864 26.053 ( 4.124 -4.124 -2.791) 6.466 26.137 ( -3.112 3.112 -3.269) 5.482 28.325 ( -0.638 0.638 -8.303) 8.352 28.327 ( -0.775 0.775 -8.288) 8.360 29.105 ( 1.800 -1.800 -1.546) 2.978 54.263 ( 2.437 -2.437 0.386) 3.468 54.300 ( 1.434 -1.434 -0.349) 2.057 54.436 ( -5.007 5.007 -4.690) 8.493 56.540 ( 0.031 -0.031 -6.625) 6.625 56.811 ( -1.250 1.250 1.320) 2.206 58.330 ( 2.485 -2.485 8.889) 9.558 ======================= Grid point 79 (51/104) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.054 ( -6.094 6.094 13.416) 15.946 5.183 ( -10.892 10.892 11.328) 19.121 5.436 ( 0.702 -0.702 -8.655) 8.712 6.425 ( 0.458 -0.458 -4.379) 4.426 6.709 ( -10.317 10.317 -1.918) 14.717 7.819 ( 2.521 -2.521 3.443) 4.956 8.035 ( -4.303 4.303 6.750) 9.088 8.128 ( 3.166 -3.166 15.818) 16.439 10.791 ( 12.408 -12.408 -2.460) 17.720 12.351 ( -25.505 25.505 1.110) 36.087 17.230 ( 12.990 -12.990 23.889) 30.136 17.288 ( 10.720 -10.720 24.860) 29.118 23.019 ( -1.603 1.603 3.264) 3.974 23.767 ( -0.586 0.586 -2.106) 2.263 23.790 ( -0.728 0.728 -10.191) 10.243 25.401 ( -3.989 3.989 -5.633) 7.972 25.889 ( 7.435 -7.435 -2.740) 10.866 26.187 ( -4.530 4.530 -3.457) 7.279 28.275 ( -1.779 1.779 -5.297) 5.864 28.281 ( -2.052 2.052 -5.242) 5.991 29.033 ( 3.291 -3.291 -1.022) 4.765 54.244 ( 0.842 -0.842 2.634) 2.891 54.252 ( 2.466 -2.466 -0.220) 3.494 54.492 ( -5.285 5.285 -5.941) 9.548 56.481 ( -0.359 0.359 -4.292) 4.322 56.862 ( -2.075 2.075 0.850) 3.055 58.335 ( 4.561 -4.561 6.301) 9.017 ======================= Grid point 80 (52/104) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.296 ( 2.069 -2.069 -4.883) 5.692 5.327 ( -7.872 7.872 7.011) 13.156 5.574 ( -12.707 12.707 4.709) 18.577 6.344 ( 2.908 -2.908 -3.456) 5.372 6.928 ( -9.012 9.012 0.031) 12.745 7.792 ( 2.314 -2.314 1.763) 3.717 8.062 ( 10.170 -10.170 8.439) 16.676 8.319 ( -12.630 12.630 1.189) 17.902 10.438 ( 16.877 -16.877 -1.086) 23.893 13.017 ( -31.814 31.814 0.522) 44.995 17.030 ( 20.570 -20.570 9.089) 30.477 17.158 ( 17.880 -17.880 10.053) 27.211 23.182 ( -4.993 4.993 11.207) 13.246 23.649 ( 2.313 -2.313 -11.918) 12.358 23.806 ( -3.007 3.007 1.328) 4.455 25.460 ( -5.462 5.462 -3.059) 8.308 25.674 ( 8.575 -8.575 -2.306) 12.344 26.263 ( -5.249 5.249 -2.477) 7.826 28.288 ( -3.116 3.116 -2.240) 4.943 28.302 ( -3.471 3.471 -2.177) 5.370 28.938 ( 4.211 -4.211 -0.474) 5.974 54.188 ( 2.892 -2.892 -0.097) 4.090 54.273 ( -0.006 0.006 3.367) 3.367 54.547 ( -5.629 5.629 -5.407) 9.623 56.463 ( -1.109 1.109 -1.868) 2.439 56.920 ( -2.309 2.309 0.381) 3.287 58.268 ( 6.218 -6.218 3.339) 9.407 ======================= Grid point 81 (53/104) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.194 ( 4.353 -4.353 -0.000) 6.156 5.563 ( -9.326 9.326 0.000) 13.189 5.898 ( -13.495 13.495 0.000) 19.085 6.214 ( 6.746 -6.746 -0.000) 9.540 7.072 ( -2.888 2.888 0.000) 4.084 7.756 ( 1.879 -1.879 -0.000) 2.657 7.835 ( 13.139 -13.139 -0.000) 18.582 8.677 ( -18.062 18.062 0.000) 25.543 10.015 ( 19.966 -19.966 -0.000) 28.236 13.756 ( -32.527 32.527 0.000) 46.000 16.550 ( 25.501 -25.501 -0.000) 36.064 16.740 ( 23.321 -23.321 -0.000) 32.981 23.412 ( 8.547 -8.547 -0.000) 12.087 23.457 ( -8.582 8.582 0.000) 12.137 23.904 ( -4.289 4.289 0.000) 6.066 25.481 ( 6.568 -6.568 -0.000) 9.288 25.575 ( -6.210 6.210 0.000) 8.783 26.370 ( -5.566 5.566 0.000) 7.871 28.360 ( -4.259 4.259 0.000) 6.023 28.383 ( -4.601 4.601 0.000) 6.507 28.838 ( 4.288 -4.288 -0.000) 6.064 54.124 ( 2.700 -2.700 -0.000) 3.818 54.298 ( -0.187 0.187 0.000) 0.265 54.644 ( -6.060 6.060 0.000) 8.570 56.489 ( -2.052 2.052 0.000) 2.902 56.971 ( -1.977 1.977 0.000) 2.795 58.132 ( 7.454 -7.454 -0.000) 10.541 ======================= Grid point 92 (54/104) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.910 ( -0.000 0.000 14.415) 14.415 4.910 ( -0.000 0.000 14.415) 14.415 5.454 ( 0.000 -0.000 -8.751) 8.751 6.424 ( 0.000 -0.000 -3.574) 3.574 6.424 ( 0.000 -0.000 -3.574) 3.574 7.890 ( -0.000 0.000 3.495) 3.495 7.890 ( -0.000 0.000 3.495) 3.495 8.263 ( -0.000 0.000 21.764) 21.764 11.080 ( 0.000 -0.000 -2.966) 2.966 11.730 ( -0.000 0.000 1.142) 1.142 17.532 ( -0.000 0.000 29.521) 29.521 17.532 ( -0.000 0.000 29.521) 29.521 22.977 ( 0.000 -0.000 -5.774) 5.774 23.758 ( 0.000 -0.000 -5.922) 5.922 23.758 ( 0.000 -0.000 -5.922) 5.922 25.306 ( 0.000 -0.000 -6.427) 6.427 26.077 ( 0.000 -0.000 -1.728) 1.728 26.077 ( 0.000 -0.000 -1.728) 1.728 28.235 ( 0.000 -0.000 -6.105) 6.105 28.235 ( 0.000 -0.000 -6.105) 6.105 29.111 ( 0.000 -0.000 -1.094) 1.094 54.313 ( 0.000 -0.000 -0.248) 0.248 54.313 ( 0.000 -0.000 -0.248) 0.248 54.318 ( 0.000 -0.000 -2.423) 2.423 56.475 ( 0.000 -0.000 -4.815) 4.815 56.810 ( -0.000 0.000 0.942) 0.942 58.442 ( -0.000 0.000 6.032) 6.032 ======================= Grid point 93 (55/104) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.070 ( -3.087 3.087 7.535) 8.708 5.101 ( -5.728 5.728 7.166) 10.816 5.374 ( 0.420 -0.420 -4.549) 4.588 6.391 ( 0.009 -0.009 -2.309) 2.309 6.475 ( -7.253 7.253 -1.951) 10.441 7.899 ( 1.772 -1.772 1.776) 3.072 7.959 ( -3.503 3.503 1.852) 5.289 8.405 ( 3.956 -3.956 10.851) 12.208 10.980 ( 6.414 -6.414 -1.701) 9.229 11.904 ( -14.313 14.313 0.585) 20.250 17.696 ( 8.002 -8.002 14.593) 18.467 17.715 ( 6.401 -6.401 14.786) 17.337 22.965 ( -3.145 3.145 -1.232) 4.615 23.702 ( 0.267 -0.267 -4.392) 4.408 23.716 ( -0.995 0.995 -2.740) 3.080 25.277 ( -2.261 2.261 -3.283) 4.583 26.009 ( 4.587 -4.587 -1.007) 6.565 26.087 ( -2.158 2.158 -1.129) 3.254 28.194 ( -1.039 1.039 -3.062) 3.396 28.196 ( -1.204 1.204 -3.052) 3.495 29.081 ( 1.765 -1.765 -0.552) 2.556 54.282 ( 0.544 -0.544 1.195) 1.422 54.294 ( 1.419 -1.419 -0.123) 2.011 54.352 ( -2.793 2.793 -2.601) 4.730 56.436 ( -0.224 0.224 -2.425) 2.446 56.832 ( -1.204 1.204 0.471) 1.767 58.467 ( 2.342 -2.342 3.108) 4.542 ======================= Grid point 94 (56/104) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 428 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.213 ( -5.739 5.739 0.000) 8.116 5.284 ( -3.318 3.318 0.000) 4.693 5.366 ( -5.457 5.457 0.000) 7.717 6.368 ( 0.958 -0.958 -0.000) 1.355 6.684 ( -11.273 11.273 0.000) 15.943 7.858 ( 2.527 -2.527 -0.000) 3.574 8.094 ( -7.650 7.650 0.000) 10.818 8.329 ( 7.995 -7.995 -0.000) 11.307 10.760 ( 12.124 -12.124 -0.000) 17.147 12.364 ( -25.475 25.475 0.000) 36.028 17.503 ( 15.749 -15.749 -0.000) 22.272 17.574 ( 13.076 -13.076 -0.000) 18.492 23.085 ( -7.009 7.009 0.000) 9.912 23.644 ( 2.260 -2.260 -0.000) 3.197 23.744 ( -2.578 2.578 0.000) 3.646 25.331 ( -4.173 4.173 0.000) 5.901 25.857 ( 8.036 -8.036 -0.000) 11.365 26.147 ( -3.817 3.817 0.000) 5.398 28.214 ( -2.188 2.188 0.000) 3.095 28.221 ( -2.488 2.488 0.000) 3.519 29.021 ( 3.253 -3.253 -0.000) 4.600 54.249 ( 2.453 -2.453 -0.000) 3.469 54.293 ( -0.072 0.072 0.000) 0.102 54.406 ( -4.054 4.054 0.000) 5.733 56.432 ( -0.633 0.633 0.000) 0.895 56.872 ( -2.030 2.030 0.000) 2.871 58.407 ( 4.440 -4.440 -0.000) 6.280 ======================= Grid point 110 (57/104) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.079 ( -0.000 0.000 0.000) 0.000 5.079 ( -0.000 0.000 0.000) 0.000 5.353 ( -0.000 0.000 0.000) 0.000 6.377 ( -0.000 0.000 0.000) 0.000 6.377 ( -0.000 0.000 0.000) 0.000 7.930 ( -0.000 0.000 0.000) 0.000 7.930 ( -0.000 0.000 0.000) 0.000 8.514 ( -0.000 0.000 0.000) 0.000 11.042 ( -0.000 0.000 0.000) 0.000 11.743 ( -0.000 0.000 0.000) 0.000 17.875 ( -0.000 0.000 0.000) 0.000 17.875 ( -0.000 0.000 0.000) 0.000 22.911 ( -0.000 0.000 0.000) 0.000 23.685 ( -0.000 0.000 0.000) 0.000 23.685 ( -0.000 0.000 0.000) 0.000 25.232 ( -0.000 0.000 0.000) 0.000 26.057 ( -0.000 0.000 0.000) 0.000 26.057 ( -0.000 0.000 0.000) 0.000 28.164 ( -0.000 0.000 0.000) 0.000 28.164 ( -0.000 0.000 0.000) 0.000 29.098 ( -0.000 0.000 0.000) 0.000 54.291 ( -0.000 0.000 0.000) 0.000 54.310 ( -0.000 0.000 0.000) 0.000 54.310 ( -0.000 0.000 0.000) 0.000 56.419 ( -0.000 0.000 0.000) 0.000 56.821 ( -0.000 0.000 0.000) 0.000 58.511 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 236 (58/104) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -0.000 20.422 38.376) 43.471 2.596 ( -0.000 38.902 33.761) 51.509 3.737 ( -0.000 16.273 67.171) 69.114 6.656 ( -0.000 0.590 -0.294) 0.659 6.812 ( 0.000 1.345 -12.050) 12.125 6.857 ( -0.000 14.308 -0.066) 14.308 7.180 ( -0.000 -5.720 6.119) 8.376 7.321 ( -0.000 6.214 7.965) 10.102 11.058 ( 0.000 -9.340 -0.099) 9.340 11.855 ( -0.000 28.338 2.068) 28.413 12.722 ( -0.000 1.144 49.646) 49.659 12.942 ( -0.000 20.134 45.848) 50.074 23.826 ( 0.000 -10.812 -11.196) 15.565 24.183 ( 0.000 -0.669 -1.438) 1.586 24.248 ( -0.000 3.026 -0.848) 3.142 26.137 ( 0.000 -10.444 -7.398) 12.798 26.356 ( 0.000 -1.815 -3.055) 3.553 26.603 ( -0.000 6.320 -4.960) 8.034 29.126 ( 0.000 -3.227 -7.564) 8.224 29.151 ( 0.000 -0.982 -7.990) 8.050 29.257 ( 0.000 -4.080 -1.901) 4.501 54.260 ( 0.000 -5.759 -1.360) 5.917 54.356 ( 0.000 -0.249 -0.484) 0.545 55.167 ( 0.000 8.877 -10.640) 13.857 56.689 ( -0.000 4.562 1.200) 4.717 56.945 ( -0.000 -4.354 11.122) 11.944 57.387 ( 0.000 -3.914 -1.328) 4.133 ======================= Grid point 237 (59/104) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -13.762 21.365 32.687) 41.404 3.427 ( -6.740 36.652 29.457) 47.503 4.667 ( -5.257 17.423 57.087) 59.917 6.678 ( -1.982 1.185 -11.344) 11.577 6.703 ( -3.858 1.576 -3.272) 5.298 7.032 ( -0.593 14.419 0.626) 14.445 7.180 ( -2.264 -8.202 6.231) 10.546 7.507 ( 1.473 10.184 10.185) 14.478 10.896 ( 4.491 -12.401 -2.204) 13.373 12.334 ( -12.079 38.934 2.304) 40.830 13.382 ( -8.193 1.505 54.875) 55.504 13.715 ( -0.461 22.340 46.347) 51.452 23.526 ( 3.967 -13.316 -12.985) 19.017 24.140 ( 1.871 -1.497 -3.016) 3.852 24.260 ( 1.240 1.503 -1.165) 2.270 25.938 ( -0.720 -8.809 -8.063) 11.963 26.252 ( 6.252 -2.426 -3.445) 7.540 26.656 ( -5.858 5.077 -4.080) 8.760 28.993 ( 0.434 -3.852 -8.216) 9.084 29.032 ( 1.296 -1.299 -9.292) 9.471 29.168 ( 1.746 -5.799 -2.101) 6.410 54.178 ( 0.293 -5.050 -1.672) 5.327 54.322 ( 4.067 -0.384 -0.539) 4.120 55.191 ( -7.841 7.028 -9.621) 14.263 56.766 ( -0.452 6.141 0.986) 6.236 56.980 ( 1.304 -3.143 3.666) 5.002 57.336 ( 2.973 -5.621 5.606) 8.477 ======================= Grid point 238 (60/104) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( -17.241 19.916 26.096) 37.080 4.207 ( -8.581 29.692 26.239) 40.542 5.496 ( -6.411 15.792 43.025) 46.278 6.548 ( -2.977 1.239 -15.487) 15.819 6.765 ( -3.302 2.544 -1.127) 4.318 7.139 ( -2.929 -4.422 3.374) 6.286 7.250 ( -2.908 5.814 4.770) 8.063 7.751 ( 2.109 14.262 12.626) 19.164 10.631 ( 7.440 -15.000 -5.157) 17.520 13.020 ( -19.632 44.572 2.300) 48.758 14.134 ( -10.849 1.623 54.481) 55.575 14.451 ( -0.717 17.947 40.544) 44.344 23.171 ( 6.539 -12.805 -12.023) 18.743 24.025 ( 5.591 -2.931 -5.636) 8.463 24.210 ( 4.885 -2.043 -1.602) 5.531 25.797 ( -4.279 -6.000 -6.329) 9.715 26.113 ( 6.247 -1.826 -3.423) 7.354 26.741 ( -7.413 4.241 -3.810) 9.351 28.853 ( 0.678 -3.409 -7.768) 8.510 28.891 ( 1.739 -1.412 -9.679) 9.935 29.044 ( 2.899 -6.931 -2.092) 7.799 54.107 ( 0.296 -3.792 -1.295) 4.018 54.253 ( 5.697 -0.610 -0.523) 5.754 55.271 ( -12.136 5.385 -9.054) 16.070 56.852 ( -0.551 5.896 0.779) 5.973 56.927 ( 1.062 -2.357 -4.385) 5.090 57.329 ( 6.120 -5.541 13.023) 15.419 ======================= Grid point 239 (61/104) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.457 ( -15.673 17.440 19.763) 30.665 4.857 ( -6.769 19.753 23.232) 31.237 6.042 ( -1.923 8.650 13.212) 15.908 6.482 ( -7.364 1.300 -4.083) 8.519 6.798 ( 2.017 6.055 -1.411) 6.536 7.155 ( -7.845 -9.313 3.191) 12.588 7.400 ( 0.021 5.922 5.784) 8.278 8.071 ( 1.539 17.448 16.030) 23.744 10.281 ( 8.824 -16.822 -8.413) 20.775 13.789 ( -21.402 44.494 2.059) 49.416 14.840 ( -6.621 1.540 47.251) 47.738 15.001 ( -1.070 6.605 29.089) 29.849 22.848 ( 8.472 -8.971 -7.254) 14.314 23.841 ( 7.137 -3.681 -6.022) 10.037 24.063 ( 9.248 -5.702 -2.131) 11.072 25.758 ( -7.851 -3.378 -4.020) 9.445 26.006 ( 3.536 -0.088 -3.614) 5.057 26.825 ( -7.803 3.255 -4.307) 9.488 28.735 ( 0.728 -1.679 -6.380) 6.637 28.754 ( 0.936 -1.274 -8.469) 8.616 28.906 ( 3.145 -7.159 -1.849) 8.035 54.060 ( 0.161 -2.494 -0.313) 2.518 54.176 ( 5.572 -0.659 -0.378) 5.623 55.371 ( -14.141 4.060 -9.417) 17.467 56.814 ( 0.957 -2.899 -6.315) 7.014 56.935 ( -0.449 5.223 0.306) 5.252 57.354 ( 8.315 -4.046 14.962) 17.589 ======================= Grid point 240 (62/104) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.977 ( -10.364 14.213 13.975) 22.466 5.288 ( -0.812 5.428 17.607) 18.442 6.068 ( -2.674 5.139 -14.647) 15.750 6.547 ( -3.047 -7.273 2.580) 8.297 6.907 ( 2.734 15.096 3.777) 15.800 7.168 ( -9.099 -9.811 0.608) 13.395 7.502 ( 3.621 2.677 7.075) 8.387 8.451 ( 2.739 16.385 19.355) 25.507 9.890 ( 6.706 -15.446 -10.772) 19.990 14.503 ( -16.494 38.078 1.683) 41.531 15.198 ( 0.400 -8.644 12.651) 15.327 15.378 ( 2.859 0.220 34.319) 34.439 22.635 ( 9.207 -3.711 0.202) 9.929 23.691 ( 4.489 -1.802 -1.522) 5.071 23.852 ( 10.279 -6.311 -1.884) 12.207 25.788 ( -8.989 -1.759 -3.315) 9.741 25.945 ( 0.896 1.012 -4.087) 4.304 26.887 ( -7.591 1.792 -5.455) 9.518 28.645 ( -0.707 -0.621 -6.568) 6.635 28.680 ( 0.007 0.843 -3.248) 3.356 28.781 ( 2.161 -6.134 -1.384) 6.649 54.041 ( -0.006 -1.288 0.922) 1.584 54.110 ( 4.481 -0.369 0.006) 4.496 55.457 ( -14.495 2.375 -10.955) 18.324 56.712 ( 0.213 -1.979 -4.916) 5.303 56.989 ( -0.286 2.932 0.180) 2.952 57.379 ( 10.237 -2.122 14.034) 17.500 ======================= Grid point 241 (63/104) ======================= q-point: (-0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.259 ( 3.804 -0.000 3.804) 5.380 5.369 ( 6.111 0.000 6.111) 8.642 6.027 ( -10.392 0.000 -10.392) 14.697 6.513 ( -0.230 0.000 -0.230) 0.325 7.027 ( 4.157 -0.000 4.157) 5.879 7.155 ( -5.987 0.000 -5.987) 8.467 7.536 ( 6.526 0.000 6.526) 9.229 8.684 ( 13.951 0.000 13.951) 19.730 9.659 ( -4.995 -0.000 -4.995) 7.064 14.959 ( -1.258 0.000 -1.258) 1.780 15.081 ( -2.848 -0.000 -2.848) 4.028 15.566 ( 18.988 0.000 18.988) 26.853 22.563 ( 6.672 0.000 6.672) 9.435 23.691 ( 3.159 0.000 3.159) 4.468 23.693 ( 2.970 -0.000 2.970) 4.200 25.818 ( -6.272 0.000 -6.272) 8.870 25.919 ( -2.129 0.000 -2.129) 3.010 26.910 ( -6.745 0.000 -6.745) 9.538 28.607 ( -3.704 0.000 -3.704) 5.238 28.684 ( -0.181 -0.000 -0.181) 0.256 28.707 ( -0.526 0.000 -0.526) 0.744 54.045 ( 0.737 0.000 0.737) 1.042 54.077 ( 2.015 0.000 2.015) 2.850 55.492 ( -13.158 0.000 -13.158) 18.608 56.669 ( -2.018 0.000 -2.018) 2.854 57.008 ( -0.057 0.000 -0.057) 0.081 57.389 ( 12.216 0.000 12.216) 17.276 ======================= Grid point 252 (64/104) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -0.000 13.935 36.078) 38.675 3.357 ( -0.000 28.511 33.175) 43.743 5.201 ( -0.000 5.411 61.315) 61.553 6.488 ( 0.000 1.076 -16.191) 16.227 6.648 ( -0.000 1.971 -0.642) 2.073 6.829 ( -0.000 15.739 -2.067) 15.874 7.337 ( -0.000 -7.463 7.556) 10.621 7.521 ( -0.000 8.391 9.489) 12.667 11.060 ( 0.000 -12.126 -0.036) 12.126 11.908 ( -0.000 28.253 2.554) 28.368 13.980 ( -0.000 0.818 60.140) 60.145 14.101 ( -0.000 11.230 55.280) 56.409 23.553 ( 0.000 -12.274 -12.583) 17.577 24.134 ( 0.000 -0.868 -3.015) 3.137 24.205 ( -0.000 3.672 -3.083) 4.795 25.947 ( 0.000 -9.777 -9.290) 13.486 26.277 ( 0.000 -2.044 -3.897) 4.400 26.470 ( -0.000 8.904 -6.582) 11.072 28.923 ( 0.000 -1.965 -10.154) 10.342 28.937 ( 0.000 -0.804 -10.811) 10.840 29.208 ( 0.000 -3.959 -2.370) 4.614 54.234 ( 0.000 -6.668 -0.963) 6.738 54.344 ( 0.000 -0.212 -0.586) 0.624 54.921 ( -0.000 10.555 -10.529) 14.909 56.725 ( -0.000 3.502 1.884) 3.977 57.000 ( 0.000 -2.116 -5.613) 5.999 57.542 ( -0.000 -5.752 14.026) 15.160 ======================= Grid point 253 (65/104) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( -8.932 15.397 30.156) 35.018 4.074 ( -6.704 29.453 27.786) 41.042 5.890 ( 0.442 4.159 48.689) 48.869 6.319 ( -1.872 1.443 -16.576) 16.744 6.687 ( -1.321 4.009 -0.890) 4.313 7.016 ( -3.692 16.102 -1.007) 16.550 7.334 ( -3.687 -10.842 7.073) 13.460 7.748 ( 1.851 13.540 10.882) 17.469 10.855 ( 5.321 -16.780 -1.693) 17.685 12.389 ( -11.990 38.753 2.503) 40.642 14.694 ( -3.095 0.939 59.761) 59.849 14.812 ( -0.367 7.690 49.298) 49.895 23.246 ( 3.995 -12.816 -11.196) 17.480 24.050 ( 4.583 -1.736 -4.971) 6.981 24.207 ( -0.661 1.622 -3.630) 4.031 25.760 ( -1.756 -7.035 -7.580) 10.490 26.163 ( 5.804 -2.577 -4.342) 7.692 26.532 ( -6.505 7.432 -6.758) 11.967 28.787 ( 0.357 -1.565 -9.738) 9.869 28.798 ( 0.476 -0.981 -11.186) 11.239 29.117 ( 1.669 -5.599 -2.319) 6.286 54.153 ( 0.385 -5.331 -0.560) 5.375 54.310 ( 4.062 -0.333 -0.572) 4.116 54.962 ( -7.283 9.075 -10.097) 15.406 56.797 ( -0.761 4.694 1.629) 5.027 56.893 ( 0.639 -2.180 -7.855) 8.177 57.622 ( 3.212 -6.720 15.802) 17.469 ======================= Grid point 254 (66/104) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.361 ( -11.923 14.554 23.358) 29.993 4.766 ( -9.388 24.934 23.245) 35.358 6.067 ( 3.473 -0.471 -11.900) 12.406 6.470 ( -3.539 3.800 26.167) 26.677 6.724 ( 2.307 6.584 -2.701) 7.481 7.202 ( -4.685 1.429 3.740) 6.163 7.378 ( -8.073 -3.234 6.736) 11.001 8.040 ( 1.550 18.795 12.559) 22.658 10.531 ( 9.201 -20.290 -3.962) 22.628 13.071 ( -19.421 44.303 2.205) 48.423 15.330 ( 0.457 -2.391 39.863) 39.938 15.385 ( -0.817 0.429 50.855) 50.863 22.959 ( 6.342 -9.001 -6.022) 12.550 23.892 ( 6.938 -2.755 -5.609) 9.338 24.151 ( 3.079 -2.210 -3.902) 5.439 25.670 ( -6.046 -4.275 -5.018) 8.945 26.016 ( 5.924 -1.491 -5.137) 7.981 26.613 ( -8.226 5.983 -7.352) 12.550 28.658 ( 0.082 -0.878 -10.262) 10.299 28.675 ( 0.223 -0.005 -8.073) 8.076 28.997 ( 2.721 -6.643 -2.060) 7.468 54.098 ( 0.242 -3.624 0.486) 3.664 54.242 ( 5.557 -0.544 -0.444) 5.601 55.045 ( -10.988 7.289 -10.473) 16.839 56.771 ( 0.677 -2.009 -7.762) 8.046 56.878 ( -0.995 4.781 1.256) 5.042 57.673 ( 5.814 -6.601 15.583) 17.894 ======================= Grid point 255 (67/104) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.877 ( -11.566 12.334 17.232) 24.142 5.341 ( -8.026 14.972 19.270) 25.689 5.854 ( 2.413 0.324 -17.430) 17.599 6.647 ( 6.818 0.976 1.073) 6.971 6.817 ( -0.507 8.226 8.358) 11.738 7.242 ( -7.940 -12.791 5.198) 15.927 7.554 ( -2.669 4.093 7.713) 9.131 8.428 ( -1.622 22.235 14.946) 26.840 10.113 ( 11.347 -22.191 -6.388) 25.729 13.832 ( -21.104 44.215 1.717) 49.023 15.545 ( 0.375 -18.333 20.524) 27.522 15.882 ( 9.509 0.316 41.567) 42.642 22.786 ( 7.682 -3.421 2.165) 8.684 23.748 ( 4.670 -1.996 -1.635) 5.335 23.999 ( 7.468 -5.572 -3.917) 10.107 25.668 ( -8.699 -2.882 -4.139) 10.056 25.895 ( 3.537 1.226 -5.977) 7.053 26.680 ( -8.695 4.325 -8.271) 12.756 28.552 ( -1.798 -0.548 -8.282) 8.493 28.613 ( -0.002 2.623 -5.060) 5.699 28.867 ( 2.849 -6.778 -1.610) 7.527 54.077 ( -0.002 -2.273 1.773) 2.882 54.171 ( 5.280 -0.461 -0.018) 5.300 55.126 ( -12.251 5.593 -11.686) 17.830 56.668 ( -0.038 -1.285 -6.092) 6.226 56.950 ( -0.871 3.733 0.851) 3.927 57.694 ( 8.039 -5.757 14.229) 17.327 ======================= Grid point 256 (68/104) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.273 ( -7.191 7.934 11.863) 15.981 5.499 ( 6.446 -5.944 -6.523) 10.928 5.826 ( -9.130 6.612 2.757) 11.605 6.551 ( 10.836 5.094 -2.776) 12.291 6.958 ( -0.111 5.411 1.599) 5.644 7.225 ( -7.272 -15.795 4.566) 17.979 7.655 ( 4.270 2.200 5.052) 6.971 8.871 ( -0.259 17.759 16.841) 24.476 9.669 ( 8.283 -17.685 -8.518) 21.305 14.534 ( -16.229 37.942 1.185) 41.284 15.375 ( 0.748 -34.409 4.165) 34.668 16.073 ( 24.855 -0.195 25.600) 35.681 22.747 ( 7.522 -1.094 9.352) 12.052 23.736 ( -0.032 1.216 5.190) 5.331 23.807 ( 7.396 -4.843 -2.307) 9.137 25.670 ( -6.282 -1.519 -7.512) 9.910 25.847 ( -1.381 2.878 -3.872) 5.018 26.718 ( -8.482 2.462 -8.926) 12.557 28.508 ( -4.637 0.008 -5.276) 7.024 28.622 ( -0.512 5.483 -1.935) 5.837 28.753 ( 1.764 -5.706 -1.034) 6.061 54.074 ( 1.235 -1.256 1.153) 2.105 54.130 ( 2.656 -0.002 2.492) 3.642 55.175 ( -11.822 3.633 -13.248) 18.124 56.615 ( -1.760 0.099 -3.507) 3.926 56.997 ( -0.572 1.732 0.455) 1.881 57.683 ( 10.107 -4.282 12.152) 16.376 ======================= Grid point 257 (69/104) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.143 ( 11.381 -10.827 -12.393) 20.008 5.498 ( 6.701 0.308 7.305) 9.918 5.957 ( -14.110 -7.830 0.559) 16.147 6.528 ( 10.876 12.731 2.494) 16.929 6.983 ( 0.983 4.661 -5.844) 7.539 7.136 ( -0.988 -16.475 3.402) 16.852 7.628 ( 6.347 -1.358 0.710) 6.529 8.922 ( 17.664 -18.301 6.544) 26.263 9.622 ( -10.060 18.116 1.580) 20.782 14.867 ( 1.331 -42.705 -5.805) 43.118 15.047 ( -4.664 21.917 -0.296) 22.409 15.894 ( 40.790 -0.775 10.137) 42.037 22.772 ( 5.778 -1.790 10.492) 12.110 23.722 ( 0.868 0.071 2.265) 2.426 23.880 ( -2.882 4.385 9.689) 11.019 25.616 ( -3.355 1.407 -10.351) 10.972 25.889 ( -4.632 2.306 -0.976) 5.266 26.726 ( -7.604 0.454 -8.729) 11.585 28.539 ( -7.621 0.632 -2.289) 7.982 28.680 ( -0.532 -2.018 -0.172) 2.094 28.703 ( -1.151 6.235 0.098) 6.341 54.050 ( 1.984 0.095 0.005) 1.986 54.164 ( 0.200 0.151 5.247) 5.253 55.174 ( -10.388 1.477 -13.958) 17.462 56.634 ( -4.153 1.754 -1.162) 4.655 57.010 ( -0.269 -0.920 0.140) 0.968 57.644 ( 12.058 -2.212 9.606) 15.575 ======================= Grid point 258 (70/104) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.699 ( 17.380 -14.659 -11.809) 25.620 5.272 ( 18.461 -18.349 -0.080) 26.029 6.091 ( -16.095 -2.999 2.191) 16.518 6.522 ( 17.607 2.138 1.849) 17.832 6.915 ( 2.702 -2.286 -4.407) 5.652 7.002 ( 3.467 0.075 -2.841) 4.483 7.518 ( 3.124 -7.081 -1.445) 7.873 8.514 ( 17.351 -22.315 2.496) 28.376 10.035 ( -9.723 22.640 5.270) 25.197 14.186 ( 1.953 -52.806 -10.526) 53.881 15.204 ( 12.349 9.071 0.234) 15.324 15.402 ( 52.167 -1.179 -0.145) 52.180 22.826 ( 0.469 2.089 6.594) 6.933 23.827 ( -4.809 3.189 6.913) 9.005 24.075 ( -3.769 4.048 8.052) 9.769 25.571 ( -3.620 3.978 -8.975) 10.463 25.973 ( -4.775 2.839 1.463) 5.745 26.704 ( -6.212 -1.704 -7.554) 9.927 28.635 ( -9.758 1.136 -0.236) 9.827 28.681 ( -3.593 -0.578 0.027) 3.640 28.821 ( -1.701 8.704 1.319) 8.966 54.041 ( 0.848 1.368 -0.005) 1.609 54.233 ( -0.335 0.341 5.855) 5.874 55.137 ( -8.993 -0.528 -12.512) 15.418 56.715 ( -6.151 2.979 0.100) 6.835 56.986 ( -0.064 -3.733 -0.046) 3.734 57.580 ( 13.704 0.301 6.725) 15.269 ======================= Grid point 259 (71/104) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.163 ( 23.899 -18.686 -7.998) 31.374 4.754 ( 22.326 -28.385 -2.269) 36.185 6.069 ( 32.441 -11.994 2.579) 34.683 6.348 ( -13.477 -0.532 -4.028) 14.076 6.805 ( 3.164 -5.969 -0.562) 6.779 7.024 ( 3.190 13.361 -3.139) 14.091 7.373 ( 0.238 -12.504 -1.195) 12.563 8.121 ( 15.102 -18.899 1.723) 24.253 10.425 ( -7.132 20.245 3.478) 21.745 13.448 ( 2.283 -53.348 -8.019) 53.995 14.722 ( 58.931 -1.670 -3.002) 59.031 14.988 ( 28.568 -6.958 -0.243) 29.404 22.981 ( -7.090 9.304 3.014) 12.080 23.998 ( -5.088 3.033 5.108) 7.822 24.212 ( -3.625 1.118 3.357) 5.066 25.603 ( -5.573 6.531 -4.416) 9.655 26.092 ( -4.588 3.868 3.053) 6.733 26.662 ( -4.855 -3.688 -5.125) 7.965 28.746 ( -6.297 1.976 0.237) 6.604 28.770 ( -10.717 1.446 0.398) 10.821 28.956 ( -2.042 8.543 1.126) 8.856 54.062 ( -0.364 2.734 0.040) 2.758 54.302 ( -0.495 0.384 4.249) 4.295 55.098 ( -8.350 -2.430 -7.918) 11.761 56.829 ( -6.572 3.381 0.360) 7.399 56.929 ( -0.071 -5.985 -0.093) 5.986 57.496 ( 14.513 2.916 3.526) 15.217 ======================= Grid point 260 (72/104) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( 29.738 -21.536 -0.000) 36.717 4.110 ( 25.708 -34.464 -0.000) 42.996 5.432 ( 48.705 -15.952 -0.000) 51.250 6.512 ( -16.189 -0.546 0.000) 16.198 6.714 ( 1.782 -3.756 -0.000) 4.158 7.110 ( 4.740 11.850 0.000) 12.763 7.207 ( -0.184 -15.416 -0.000) 15.417 7.786 ( 12.764 -14.578 -0.000) 19.376 10.719 ( -4.434 16.647 0.000) 17.227 12.793 ( 2.409 -48.511 -0.000) 48.571 14.007 ( 59.537 -1.717 -0.000) 59.562 14.443 ( 40.655 -18.085 -0.000) 44.496 23.245 ( -12.048 13.778 0.000) 18.302 24.102 ( -3.332 2.037 0.000) 3.906 24.263 ( -2.729 -1.225 0.000) 2.991 25.741 ( -7.536 8.438 0.000) 11.313 26.210 ( -4.288 3.784 0.000) 5.719 26.630 ( -4.151 -4.940 -0.000) 6.452 28.860 ( -7.872 3.517 0.000) 8.622 28.911 ( -10.493 1.479 0.000) 10.596 29.078 ( -2.174 7.468 0.000) 7.778 54.110 ( -1.253 4.087 0.000) 4.275 54.337 ( -0.529 0.373 0.000) 0.647 55.107 ( -8.607 -4.599 0.000) 9.759 56.847 ( 0.456 -6.762 -0.000) 6.777 56.940 ( -4.614 2.913 0.000) 5.457 57.403 ( 13.001 5.095 -0.000) 13.963 ======================= Grid point 267 (73/104) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( -0.000 9.590 30.609) 32.076 4.067 ( -0.000 21.277 29.418) 36.306 6.101 ( 0.000 0.448 -17.547) 17.553 6.423 ( -0.000 -1.981 40.419) 40.467 6.626 ( -0.000 3.858 -1.410) 4.108 6.812 ( -0.000 14.668 6.738) 16.141 7.508 ( 0.000 -8.922 7.378) 11.578 7.735 ( -0.000 10.661 9.185) 14.072 11.046 ( 0.000 -13.193 -1.328) 13.259 11.966 ( -0.000 28.134 2.548) 28.249 15.354 ( -0.000 0.484 60.137) 60.139 15.356 ( -0.000 0.299 54.333) 54.333 23.282 ( 0.000 -10.799 -10.915) 15.354 24.041 ( 0.000 -1.110 -5.273) 5.389 24.107 ( 0.000 3.432 -5.597) 6.566 25.729 ( 0.000 -5.467 -9.757) 11.184 26.186 ( 0.000 -2.326 -3.990) 4.618 26.316 ( -0.000 7.574 -6.878) 10.231 28.677 ( 0.000 -0.568 -11.840) 11.854 28.681 ( 0.000 -0.193 -10.966) 10.968 29.153 ( 0.000 -3.811 -2.374) 4.490 54.218 ( 0.000 -6.336 -0.427) 6.350 54.331 ( 0.000 -0.172 -0.567) 0.592 54.705 ( -0.000 9.591 -8.577) 12.867 56.769 ( -0.000 2.961 1.929) 3.534 56.819 ( 0.000 -1.220 -9.082) 9.164 57.885 ( -0.000 -5.329 15.015) 15.933 ======================= Grid point 268 (74/104) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.389 ( -6.424 10.260 24.517) 27.343 4.663 ( -5.787 23.651 23.994) 34.184 5.904 ( 0.485 -0.094 -17.248) 17.255 6.649 ( 3.206 6.784 -2.453) 7.895 6.709 ( -1.538 4.201 11.769) 12.591 7.176 ( -4.270 6.263 24.578) 25.721 7.488 ( -4.983 -12.576 6.421) 14.974 7.982 ( 1.992 16.798 9.610) 19.455 10.810 ( 5.908 -18.627 -2.417) 19.690 12.444 ( -11.912 38.495 2.253) 40.359 15.861 ( 0.035 -9.510 42.502) 43.553 16.003 ( 2.617 0.456 54.561) 54.626 23.050 ( 3.645 -8.190 -5.580) 10.559 23.923 ( 4.951 -1.942 -6.021) 8.034 24.091 ( -2.362 1.761 -6.654) 7.277 25.601 ( -2.768 -3.189 -6.497) 7.749 26.060 ( 6.876 -2.913 -4.643) 8.793 26.362 ( -7.231 6.429 -7.911) 12.498 28.542 ( -0.460 -0.598 -10.974) 11.000 28.571 ( 0.128 1.337 -9.140) 9.238 29.066 ( 1.587 -5.375 -2.088) 5.981 54.155 ( 0.237 -4.533 0.770) 4.604 54.297 ( 4.013 -0.278 -0.492) 4.053 54.747 ( -6.395 8.001 -8.871) 13.550 56.703 ( 0.244 -1.222 -8.314) 8.406 56.834 ( -0.821 3.910 1.603) 4.305 57.965 ( 2.880 -6.414 13.887) 15.566 ======================= Grid point 269 (75/104) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.833 ( -10.018 9.003 18.047) 22.519 5.242 ( -7.927 21.638 18.626) 29.630 5.697 ( 1.668 -1.208 -16.198) 16.328 6.626 ( 7.482 7.669 -5.622) 12.100 6.888 ( -1.962 5.010 6.982) 8.815 7.407 ( -4.797 -13.783 11.424) 18.533 7.576 ( -6.326 -1.037 13.058) 14.547 8.298 ( 0.480 22.747 9.947) 24.831 10.449 ( 10.619 -22.674 -3.253) 25.247 13.117 ( -19.247 43.930 1.768) 47.994 16.061 ( 0.241 -24.584 26.294) 35.997 16.487 ( 12.035 0.243 43.223) 44.867 22.923 ( 5.138 -2.309 3.007) 6.386 23.793 ( 3.354 -1.971 -2.899) 4.851 24.023 ( 1.295 -1.167 -7.588) 7.786 25.568 ( -6.123 -1.823 -4.020) 7.548 25.887 ( 7.622 -1.550 -6.132) 9.904 26.427 ( -9.013 4.926 -8.626) 13.413 28.437 ( -2.145 -0.404 -8.821) 9.087 28.511 ( 0.002 3.821 -6.256) 7.330 28.954 ( 2.549 -6.347 -1.644) 7.035 54.130 ( 0.003 -2.881 2.290) 3.680 54.235 ( 5.207 -0.396 -0.161) 5.225 54.813 ( -9.151 6.348 -9.926) 14.918 56.606 ( -0.202 -0.728 -6.490) 6.534 56.906 ( -1.096 3.904 1.157) 4.217 57.991 ( 5.375 -6.651 12.109) 14.824 ======================= Grid point 270 (76/104) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.216 ( -11.680 6.374 12.030) 17.938 5.474 ( 3.813 -2.615 -13.654) 14.415 5.724 ( -7.224 14.933 13.807) 21.583 6.525 ( 10.966 7.601 -8.404) 15.769 7.009 ( 1.540 2.255 6.060) 6.647 7.401 ( -8.167 -18.015 8.125) 21.384 7.715 ( 0.367 -0.896 5.729) 5.810 8.709 ( -4.023 26.609 9.245) 28.455 10.001 ( 13.877 -24.946 -3.366) 28.743 13.865 ( -20.877 43.830 1.188) 48.563 15.894 ( 0.654 -40.139 10.634) 41.529 16.675 ( 26.699 -0.140 27.672) 38.453 22.943 ( 5.208 0.591 11.277) 12.435 23.766 ( -1.628 -0.418 1.779) 2.447 23.876 ( 4.927 -2.478 -6.359) 8.417 25.569 ( -4.559 -3.245 -4.332) 7.077 25.752 ( 2.882 3.477 -6.435) 7.862 26.480 ( -9.535 3.286 -8.543) 13.217 28.390 ( -4.797 -0.006 -5.795) 7.523 28.519 ( -0.378 6.563 -3.169) 7.298 28.836 ( 2.592 -6.431 -1.100) 7.020 54.125 ( 1.654 -1.992 1.610) 3.049 54.190 ( 2.868 -0.010 2.448) 3.770 54.865 ( -9.767 4.833 -11.036) 15.510 56.552 ( -1.452 0.239 -4.058) 4.317 56.968 ( -0.963 2.925 0.701) 3.158 57.968 ( 7.608 -6.138 9.733) 13.795 ======================= Grid point 271 (77/104) ======================= q-point: (-0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.202 ( 6.790 -6.349 -10.949) 14.363 5.546 ( -10.091 4.558 9.346) 14.490 5.978 ( -2.112 -4.534 5.419) 7.374 6.437 ( 8.612 17.916 -6.152) 20.809 7.028 ( 6.211 -1.712 4.084) 7.628 7.357 ( -3.656 -18.257 6.970) 19.881 7.688 ( 2.492 -2.871 -2.370) 4.480 9.167 ( -4.737 24.066 8.605) 25.993 9.526 ( 13.067 -21.548 -3.733) 25.476 14.556 ( -16.055 37.726 0.664) 41.005 15.417 ( 1.150 -51.523 0.338) 51.537 16.506 ( 41.919 -0.639 12.653) 43.791 23.014 ( 7.008 -3.505 12.796) 15.005 23.720 ( -0.211 0.087 -4.775) 4.781 23.900 ( -3.353 3.083 7.138) 8.467 25.487 ( 0.299 -1.107 -7.267) 7.357 25.770 ( -4.231 5.405 -3.028) 7.502 26.525 ( -9.326 1.545 -7.100) 11.822 28.416 ( -7.659 0.497 -2.807) 8.172 28.591 ( -0.894 8.675 -0.853) 8.763 28.735 ( 1.468 -5.372 -0.560) 5.597 54.084 ( 3.081 -0.913 0.076) 3.215 54.225 ( 0.137 0.122 5.141) 5.144 54.894 ( -9.313 3.270 -10.843) 14.663 56.555 ( -3.321 1.484 -1.789) 4.053 57.006 ( -0.633 1.100 0.317) 1.308 57.902 ( 9.682 -4.868 6.851) 12.821 ======================= Grid point 272 (78/104) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.902 ( 12.271 -10.242 -6.458) 17.238 5.666 ( 12.475 -12.175 6.253) 18.519 5.918 ( -15.394 -3.125 -3.551) 16.104 6.600 ( 3.414 20.496 2.163) 20.891 6.911 ( 12.377 -4.965 -0.479) 13.344 7.199 ( 6.220 -15.119 1.792) 16.446 7.588 ( -1.437 -7.424 -2.573) 7.988 9.000 ( 17.652 -24.540 1.277) 30.256 9.680 ( -9.909 27.262 2.129) 29.085 14.759 ( 1.682 -57.181 -2.812) 57.275 15.047 ( -4.586 25.438 0.065) 25.848 16.037 ( 53.088 -1.136 2.926) 53.181 22.964 ( 8.033 -5.512 5.032) 10.966 23.781 ( -6.036 4.635 2.203) 7.923 24.059 ( -5.193 2.954 4.721) 7.614 25.419 ( -0.679 2.576 -5.431) 6.050 25.870 ( -5.248 5.830 -0.588) 7.866 26.566 ( -8.240 -0.492 -4.268) 9.293 28.505 ( -9.849 0.968 -0.750) 9.925 28.677 ( -0.802 -3.111 -0.094) 3.214 28.707 ( -1.415 9.583 0.135) 9.688 54.049 ( 2.110 0.146 -0.016) 2.115 54.284 ( -0.322 0.289 4.156) 4.178 54.915 ( -8.611 1.636 -7.421) 11.485 56.616 ( -5.239 2.619 -0.386) 5.869 57.012 ( -0.306 -1.322 0.073) 1.359 57.797 ( 11.633 -2.826 3.562) 12.490 ======================= Grid point 273 (79/104) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.550 ( 18.426 -14.823 -0.000) 23.648 5.275 ( 19.160 -23.709 -0.000) 30.483 6.113 ( -18.310 0.979 0.000) 18.336 6.581 ( 26.591 -9.896 -0.000) 28.373 6.820 ( 2.045 16.360 0.000) 16.488 6.985 ( 6.186 -8.811 -0.000) 10.766 7.491 ( -2.151 -11.403 -0.000) 11.604 8.545 ( 16.821 -22.416 -0.000) 28.025 10.098 ( -9.004 24.682 0.000) 26.273 14.063 ( 2.064 -57.823 -0.000) 57.859 15.207 ( 11.874 9.164 -0.000) 14.999 15.397 ( 58.696 -1.506 -0.000) 58.715 22.902 ( 1.288 1.313 0.000) 1.839 23.927 ( -6.100 4.273 0.000) 7.447 24.169 ( -5.180 1.406 0.000) 5.367 25.455 ( -3.347 5.345 0.000) 6.306 25.995 ( -5.157 5.734 0.000) 7.712 26.606 ( -6.453 -2.552 0.000) 6.939 28.633 ( -10.889 1.300 0.000) 10.966 28.681 ( -3.696 -0.459 0.000) 3.724 28.837 ( -1.810 9.560 0.000) 9.730 54.041 ( 0.822 1.397 0.000) 1.620 54.318 ( -0.427 0.355 0.000) 0.556 54.973 ( -8.198 -0.192 0.000) 8.200 56.716 ( -6.560 3.319 0.000) 7.352 56.985 ( -0.102 -3.933 -0.000) 3.935 57.658 ( 13.382 -0.115 -0.000) 13.382 ======================= Grid point 282 (80/104) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.531 ( -0.000 5.916 22.988) 23.737 4.666 ( -0.000 17.156 23.257) 28.900 5.724 ( 0.000 -0.267 -15.211) 15.214 6.583 ( -0.000 6.350 -2.347) 6.770 6.599 ( -0.000 7.231 -4.183) 8.354 7.535 ( -0.000 -2.272 36.401) 36.472 7.660 ( 0.000 -10.130 5.818) 11.682 7.923 ( -0.000 12.647 7.247) 14.576 10.999 ( 0.000 -13.342 -2.764) 13.625 12.019 ( -0.000 28.032 2.040) 28.106 16.478 ( -0.000 -12.138 43.627) 45.284 16.616 ( -0.000 0.210 50.064) 50.064 23.084 ( 0.000 -5.468 -6.291) 8.335 23.898 ( 0.000 -1.367 -7.189) 7.318 23.958 ( 0.000 3.084 -7.349) 7.970 25.519 ( 0.000 0.107 -8.712) 8.713 26.103 ( 0.000 -2.607 -3.245) 4.162 26.170 ( 0.000 3.420 -5.798) 6.732 28.422 ( 0.000 -0.304 -10.292) 10.296 28.448 ( 0.000 1.912 -9.339) 9.533 29.104 ( 0.000 -3.674 -1.906) 4.139 54.218 ( 0.000 -4.897 0.566) 4.930 54.319 ( 0.000 -0.135 -0.440) 0.460 54.535 ( -0.000 7.313 -6.576) 9.835 56.621 ( 0.000 -0.506 -7.936) 7.952 56.810 ( -0.000 2.675 1.591) 3.113 58.188 ( -0.000 -4.775 11.476) 12.429 ======================= Grid point 283 (81/104) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.855 ( -6.082 5.468 16.411) 18.336 5.138 ( -3.589 20.794 17.704) 27.544 5.556 ( 0.558 -0.915 -12.859) 12.904 6.561 ( 6.614 7.246 -4.996) 11.010 6.744 ( -8.405 10.728 -1.651) 13.728 7.605 ( -5.152 -14.540 4.558) 16.085 7.830 ( 1.496 -6.352 25.130) 25.964 8.168 ( 1.913 19.254 6.619) 20.450 10.749 ( 6.085 -18.776 -2.770) 19.931 12.487 ( -11.859 38.283 1.561) 40.108 16.667 ( 0.122 -26.764 27.991) 38.728 17.082 ( 9.184 0.140 39.397) 40.453 23.007 ( 1.887 -0.241 1.657) 2.523 23.791 ( 0.590 -1.946 -5.534) 5.896 23.915 ( -0.841 2.444 -8.395) 8.784 25.466 ( -2.781 1.894 -5.429) 6.387 25.960 ( 8.940 -3.887 -4.085) 10.569 26.198 ( -8.225 2.543 -6.085) 10.542 28.322 ( -1.557 -0.234 -8.074) 8.226 28.392 ( -0.001 4.276 -6.430) 7.722 29.026 ( 1.518 -5.188 -1.445) 5.596 54.190 ( 0.006 -2.971 2.358) 3.793 54.288 ( 3.849 -0.221 -0.305) 3.868 54.564 ( -5.401 5.625 -7.378) 10.736 56.538 ( -0.180 -0.235 -5.983) 5.990 56.866 ( -0.816 3.477 1.144) 3.750 58.229 ( 2.623 -5.990 9.222) 11.305 ======================= Grid point 284 (82/104) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.151 ( -10.863 3.608 9.478) 14.862 5.395 ( 2.184 -0.939 -8.946) 9.257 5.600 ( -4.474 20.920 12.070) 24.563 6.480 ( 8.859 5.046 -6.641) 12.168 6.952 ( -5.922 10.753 0.938) 12.311 7.561 ( -10.314 -16.531 3.755) 19.843 7.916 ( 4.816 -10.073 12.820) 17.000 8.469 ( 0.446 25.137 4.940) 25.622 10.389 ( 11.008 -22.712 -1.913) 25.311 13.148 ( -19.138 43.659 0.985) 47.680 16.502 ( 0.441 -41.718 12.838) 43.651 17.263 ( 23.479 -0.061 24.292) 33.784 23.082 ( 0.972 3.792 10.210) 10.935 23.731 ( -3.125 -2.512 -6.071) 7.275 23.843 ( 2.046 2.365 -4.944) 5.850 25.492 ( -4.493 2.813 -2.574) 5.893 25.751 ( 9.818 -3.692 -5.349) 11.775 26.259 ( -9.624 1.942 -5.529) 11.267 28.277 ( -4.019 -0.008 -5.036) 6.443 28.401 ( -0.222 6.855 -3.360) 7.637 28.925 ( 2.425 -6.135 -0.909) 6.659 54.189 ( 1.862 -2.008 2.088) 3.444 54.246 ( 2.627 -0.025 1.789) 3.178 54.606 ( -7.418 4.484 -8.038) 11.821 56.490 ( -1.005 0.360 -3.598) 3.753 56.927 ( -1.094 3.456 0.671) 3.687 58.204 ( 5.044 -6.452 6.545) 10.484 ======================= Grid point 285 (83/104) ======================= q-point: (-0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.221 ( 3.045 -4.003 -5.234) 7.259 5.437 ( -13.417 2.947 4.481) 14.449 5.991 ( -2.420 18.943 9.356) 21.266 6.320 ( 10.774 1.937 -8.511) 13.866 7.097 ( 0.696 5.268 1.938) 5.656 7.558 ( -11.552 -14.312 4.604) 18.960 7.791 ( 7.465 -13.019 1.110) 15.048 8.838 ( -3.653 29.332 2.517) 29.666 9.959 ( 14.540 -24.993 -0.646) 28.922 13.884 ( -20.759 43.604 0.426) 48.295 16.043 ( 0.871 -52.377 3.033) 52.472 17.098 ( 38.064 -0.399 9.543) 39.244 23.258 ( 2.164 0.248 15.579) 15.730 23.601 ( -1.104 -0.489 -13.360) 13.414 23.885 ( -3.210 3.354 2.799) 5.421 25.505 ( 4.877 -4.051 -0.859) 6.398 25.619 ( -1.882 6.260 -4.527) 7.951 26.337 ( -10.127 1.301 -3.487) 10.789 28.300 ( -6.696 0.323 -2.058) 7.013 28.471 ( -0.600 8.850 -1.055) 8.933 28.819 ( 2.445 -6.231 -0.390) 6.705 54.139 ( 4.045 -1.445 0.130) 4.298 54.275 ( -0.049 0.144 3.671) 3.674 54.657 ( -8.168 3.750 -6.306) 10.979 56.490 ( -2.344 1.157 -1.406) 2.969 56.979 ( -0.963 2.565 0.264) 2.753 58.119 ( 7.309 -6.139 3.442) 10.146 ======================= Grid point 287 (84/104) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.070 ( 7.471 -6.585 -0.000) 9.959 5.669 ( -17.221 2.082 0.000) 17.346 6.036 ( 13.984 -10.550 -0.000) 17.517 6.349 ( -1.512 23.502 0.000) 23.551 7.083 ( 6.947 -2.019 -0.000) 7.235 7.496 ( 10.251 -16.394 -0.000) 19.335 7.599 ( -8.415 -8.403 -0.000) 11.892 9.255 ( -7.221 29.552 0.000) 30.421 9.494 ( 16.102 -25.065 -0.000) 29.791 14.563 ( -16.002 37.664 0.000) 40.922 15.417 ( 1.309 -57.446 -0.000) 57.461 16.647 ( 48.356 -0.797 -0.000) 48.362 23.203 ( 11.128 -9.314 -0.000) 14.512 23.634 ( -8.348 6.927 0.000) 10.847 23.993 ( -5.171 3.175 0.000) 6.068 25.398 ( 4.105 -0.871 -0.000) 4.196 25.729 ( -5.186 7.170 0.000) 8.849 26.439 ( -9.740 0.522 0.000) 9.754 28.384 ( -8.792 0.675 0.000) 8.818 28.582 ( -1.028 9.803 0.000) 9.857 28.729 ( 1.360 -5.252 -0.000) 5.425 54.084 ( 3.311 -0.826 -0.000) 3.413 54.303 ( -0.254 0.252 0.000) 0.358 54.749 ( -8.472 2.954 0.000) 8.972 56.535 ( -3.877 1.969 0.000) 4.349 57.010 ( -0.633 0.906 0.000) 1.105 57.981 ( 9.484 -4.963 -0.000) 10.704 ======================= Grid point 298 (85/104) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.941 ( -0.000 2.604 12.867) 13.128 5.094 ( -0.000 15.593 14.048) 20.988 5.445 ( 0.000 -0.785 -8.907) 8.942 6.490 ( -0.000 5.536 -4.582) 7.186 6.528 ( -0.000 9.065 -2.261) 9.342 7.763 ( 0.000 -10.937 3.198) 11.395 8.050 ( -0.000 13.754 4.078) 14.346 8.187 ( -0.000 -6.531 20.189) 21.219 10.933 ( 0.000 -12.910 -2.683) 13.186 12.055 ( -0.000 27.968 1.132) 27.991 17.258 ( -0.000 -23.704 24.415) 34.029 17.532 ( -0.000 0.049 29.471) 29.471 23.003 ( -0.000 2.503 -1.181) 2.768 23.740 ( 0.000 -1.586 -6.011) 6.217 23.796 ( 0.000 2.966 -6.247) 6.915 25.351 ( 0.000 3.614 -5.701) 6.750 26.045 ( 0.000 -2.814 -1.802) 3.341 26.066 ( 0.000 -0.737 -3.230) 3.313 28.234 ( 0.000 -0.086 -6.022) 6.022 28.278 ( 0.000 3.768 -5.354) 6.547 29.070 ( 0.000 -3.575 -1.059) 3.729 54.246 ( 0.000 -2.488 1.894) 3.127 54.312 ( 0.000 -0.110 -0.239) 0.263 54.406 ( 0.000 4.199 -4.863) 6.425 56.477 ( 0.000 0.124 -4.562) 4.564 56.839 ( -0.000 2.493 0.888) 2.647 58.389 ( -0.000 -4.417 6.169) 7.587 ======================= Grid point 299 (86/104) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.108 ( -6.563 1.722 5.630) 8.817 5.348 ( 1.440 -0.082 -4.000) 4.252 5.438 ( -2.209 19.652 6.830) 20.922 6.455 ( 6.473 4.984 -3.256) 8.794 6.712 ( -9.148 13.426 -0.852) 16.268 7.674 ( -5.948 -15.105 1.549) 16.308 8.226 ( 3.931 -8.139 9.185) 12.886 8.271 ( 1.994 17.481 2.341) 17.749 10.699 ( 5.954 -18.161 -1.346) 19.159 12.512 ( -11.833 38.167 0.558) 39.963 17.094 ( 0.209 -38.242 9.591) 39.427 17.707 ( 14.232 -0.008 14.657) 20.430 23.087 ( -2.570 7.107 3.707) 8.417 23.666 ( -0.430 -2.588 -4.894) 5.553 23.774 ( -0.074 3.467 -2.922) 4.535 25.369 ( -2.165 5.582 -2.577) 6.518 25.890 ( 9.977 -5.690 -1.762) 11.620 26.105 ( -8.482 -0.450 -2.045) 8.736 28.195 ( -2.306 -0.003 -2.971) 3.761 28.292 ( -0.086 6.181 -2.294) 6.594 29.003 ( 1.478 -5.082 -0.516) 5.318 54.254 ( 1.564 -1.161 2.623) 3.267 54.286 ( 2.208 -0.061 0.390) 2.243 54.421 ( -4.952 3.073 -4.815) 7.560 56.444 ( -0.470 0.421 -2.163) 2.253 56.884 ( -0.801 3.272 0.413) 3.394 58.371 ( 2.487 -5.731 3.224) 7.030 ======================= Grid point 300 (87/104) ======================= q-point: (-0.36 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.230 ( -5.368 -1.405 0.000) 5.549 5.320 ( -4.097 0.923 0.000) 4.199 5.754 ( -2.260 23.838 0.000) 23.945 6.386 ( 8.867 1.514 -0.000) 8.995 6.961 ( -6.823 12.944 0.000) 14.632 7.603 ( -11.539 -16.068 -0.000) 19.782 8.069 ( 7.236 -14.759 -0.000) 16.437 8.522 ( 1.102 26.216 0.000) 26.239 10.367 ( 10.876 -22.229 -0.000) 24.747 13.160 ( -19.101 43.562 0.000) 47.565 16.645 ( 0.529 -48.170 -0.000) 48.173 17.542 ( 28.486 -0.161 -0.000) 28.487 23.272 ( -6.942 8.706 0.000) 11.135 23.562 ( 4.373 -4.950 -0.000) 6.605 23.821 ( -2.634 3.783 0.000) 4.610 25.461 ( -3.608 7.066 0.000) 7.934 25.683 ( 10.852 -6.980 -0.000) 12.903 26.195 ( -9.709 0.439 0.000) 9.719 28.220 ( -4.778 0.145 0.000) 4.780 28.363 ( -0.307 8.011 0.000) 8.017 28.915 ( 2.379 -6.058 -0.000) 6.508 54.206 ( 4.565 -1.397 -0.000) 4.774 54.295 ( -0.098 0.141 0.000) 0.172 54.493 ( -7.005 3.400 0.000) 7.787 56.449 ( -1.325 0.788 0.000) 1.542 56.935 ( -1.085 3.315 0.000) 3.488 58.279 ( 4.922 -6.353 -0.000) 8.036 ======================= Grid point 315 (88/104) ======================= q-point: (-0.43 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 399 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.089 ( -0.000 0.898 0.000) 0.898 5.261 ( -0.000 15.517 0.000) 15.517 5.343 ( 0.000 -0.861 0.000) 0.861 6.431 ( -0.000 4.328 0.000) 4.328 6.498 ( -0.000 10.466 0.000) 10.466 7.799 ( 0.000 -11.221 0.000) 11.221 8.096 ( -0.000 14.409 0.000) 14.409 8.420 ( 0.000 -8.238 0.000) 8.238 10.899 ( 0.000 -12.573 0.000) 12.573 12.068 ( -0.000 27.947 0.000) 27.947 17.539 ( 0.000 -28.791 0.000) 28.791 17.875 ( -0.000 0.001 0.000) 0.001 22.999 ( -0.000 7.039 0.000) 7.039 23.666 ( 0.000 -1.678 0.000) 1.678 23.717 ( -0.000 2.708 0.000) 2.708 25.283 ( -0.000 4.402 0.000) 4.402 26.024 ( 0.000 -2.890 0.000) 2.890 26.029 ( 0.000 -2.338 0.000) 2.338 28.164 ( 0.000 -0.001 0.000) 0.001 28.217 ( -0.000 4.528 0.000) 4.528 29.058 ( 0.000 -3.540 0.000) 3.540 54.292 ( -0.000 0.063 0.000) 0.063 54.309 ( 0.000 -0.101 0.000) 0.101 54.327 ( -0.000 1.367 0.000) 1.367 56.424 ( -0.000 0.380 0.000) 0.380 56.849 ( -0.000 2.433 0.000) 2.433 58.460 ( 0.000 -4.294 0.000) 4.294 ======================= Grid point 476 (89/104) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.208 ( -0.000 14.796 25.341) 29.344 4.663 ( -0.000 28.996 23.450) 37.291 6.113 ( 0.000 0.515 -18.409) 18.416 6.435 ( -0.000 3.226 36.955) 37.096 6.756 ( -0.000 7.576 1.862) 7.802 7.173 ( -0.000 16.108 -0.263) 16.110 7.229 ( 0.000 -15.346 5.412) 16.272 8.073 ( -0.000 18.701 12.328) 22.398 10.638 ( 0.000 -22.071 -3.122) 22.290 12.846 ( -0.000 48.266 2.300) 48.321 15.337 ( -0.000 -2.682 37.142) 37.239 15.370 ( -0.000 0.922 59.664) 59.671 23.033 ( 0.000 -9.620 -6.037) 11.358 24.002 ( 0.000 -2.458 -5.627) 6.141 24.167 ( 0.000 1.546 -5.694) 5.900 25.592 ( 0.000 -6.402 -5.548) 8.472 26.110 ( 0.000 -4.345 -4.430) 6.205 26.492 ( 0.000 7.095 -8.015) 10.704 28.659 ( 0.000 -1.021 -11.467) 11.512 28.677 ( 0.000 -0.084 -8.056) 8.056 29.028 ( 0.000 -7.194 -2.151) 7.508 54.101 ( 0.000 -3.913 0.393) 3.933 54.326 ( 0.000 -0.300 -0.510) 0.591 54.896 ( 0.000 6.488 -9.609) 11.594 56.779 ( 0.000 -2.253 -8.149) 8.455 56.868 ( -0.000 5.466 1.132) 5.582 57.743 ( -0.000 -6.285 15.296) 16.537 ======================= Grid point 477 (90/104) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.647 ( -6.459 11.966 18.636) 23.069 5.227 ( -2.164 24.298 19.839) 31.443 5.901 ( 1.110 -0.140 -18.201) 18.235 6.784 ( 2.038 2.748 20.478) 20.761 6.859 ( 5.092 10.871 0.547) 12.017 7.106 ( -3.078 -16.008 4.099) 16.809 7.397 ( -7.779 8.598 5.257) 12.730 8.447 ( 1.404 23.512 13.304) 27.052 10.296 ( 4.356 -26.068 -4.465) 26.804 13.495 ( -7.918 53.078 1.896) 53.699 15.549 ( 0.075 -18.309 20.627) 27.580 16.017 ( 2.765 0.723 54.049) 54.125 22.922 ( 3.455 -2.198 1.993) 4.554 23.868 ( 4.574 -3.062 -6.130) 8.239 24.102 ( 1.469 -0.783 -6.080) 6.304 25.507 ( -4.375 -4.620 -2.936) 7.008 25.983 ( 3.314 -4.170 -4.871) 7.218 26.499 ( -5.728 5.063 -9.400) 12.116 28.525 ( -0.588 -0.857 -10.489) 10.541 28.613 ( 0.015 2.378 -5.338) 5.844 28.912 ( 1.027 -8.198 -1.803) 8.457 54.077 ( -0.001 -2.334 1.719) 2.899 54.291 ( 4.194 -0.292 -0.418) 4.225 54.888 ( -7.070 4.006 -9.835) 12.758 56.667 ( -0.017 -1.915 -7.067) 7.322 56.938 ( -0.223 4.717 0.685) 4.771 57.826 ( 3.188 -4.819 13.806) 14.966 ======================= Grid point 478 (91/104) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.034 ( -10.745 8.451 12.097) 18.254 5.608 ( 4.165 1.870 0.226) 4.572 5.739 ( -1.291 12.229 -1.461) 12.383 6.809 ( 9.533 -1.725 1.069) 9.746 6.970 ( 1.374 3.931 7.676) 8.732 7.070 ( -3.821 -5.334 2.457) 7.007 7.617 ( -6.986 3.106 5.054) 9.165 8.872 ( 0.906 26.849 13.782) 30.193 9.866 ( 7.273 -28.054 -5.222) 29.449 14.223 ( -10.351 52.585 1.381) 53.612 15.386 ( 0.321 -34.432 4.489) 34.725 16.495 ( 12.360 0.394 42.734) 44.488 22.932 ( 7.667 2.796 8.239) 11.597 23.749 ( 1.005 -1.923 -1.999) 2.950 23.971 ( 5.782 -3.070 -5.478) 8.536 25.507 ( -6.585 -2.501 -1.888) 7.293 25.857 ( 1.660 -2.180 -5.289) 5.956 26.513 ( -8.650 2.454 -10.263) 13.644 28.427 ( -2.458 -0.494 -8.281) 8.652 28.614 ( -0.256 5.131 -2.319) 5.636 28.787 ( 1.109 -8.306 -1.317) 8.483 54.085 ( 0.122 -1.038 2.954) 3.133 54.229 ( 5.299 -0.214 0.020) 5.304 54.910 ( -10.619 1.924 -10.618) 15.140 56.585 ( -0.912 -1.125 -5.058) 5.261 56.989 ( -0.172 2.715 0.316) 2.739 57.874 ( 6.231 -2.615 11.674) 13.489 ======================= Grid point 479 (92/104) ======================= q-point: (-0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.310 ( -3.025 -0.000 -3.025) 4.278 5.423 ( -2.781 0.000 -2.781) 3.933 5.902 ( 6.255 -0.000 6.255) 8.846 6.728 ( 2.985 0.000 2.985) 4.221 7.032 ( 5.258 -0.000 5.258) 7.436 7.077 ( -1.131 0.000 -1.131) 1.599 7.705 ( -0.978 -0.000 -0.978) 1.383 9.250 ( 9.979 0.000 9.979) 14.112 9.482 ( -1.513 -0.000 -1.513) 2.139 14.874 ( -2.087 0.000 -2.087) 2.952 14.928 ( -3.486 -0.000 -3.486) 4.930 16.674 ( 27.267 0.000 27.267) 38.562 22.956 ( 9.958 0.000 9.958) 14.083 23.760 ( -1.842 0.000 -1.842) 2.604 23.842 ( 2.749 0.000 2.749) 3.888 25.526 ( -4.242 0.000 -4.242) 5.999 25.800 ( -2.756 -0.000 -2.756) 3.897 26.517 ( -10.071 0.000 -10.071) 14.243 28.390 ( -5.299 0.000 -5.299) 7.495 28.673 ( -0.241 -0.000 -0.241) 0.341 28.683 ( -0.510 0.000 -0.510) 0.722 54.102 ( 1.932 0.000 1.932) 2.732 54.190 ( 2.654 0.000 2.654) 3.754 54.922 ( -11.297 0.000 -11.297) 15.976 56.554 ( -2.741 0.000 -2.741) 3.877 57.007 ( 0.026 0.000 0.026) 0.037 57.890 ( 9.095 0.000 9.095) 12.862 ======================= Grid point 492 (93/104) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.703 ( -0.000 8.723 18.209) 20.191 5.159 ( -0.000 24.635 20.263) 31.898 5.715 ( 0.000 -0.526 -16.127) 16.135 6.794 ( -0.000 12.120 1.432) 12.204 6.797 ( -0.000 9.334 -2.890) 9.771 7.342 ( 0.000 -17.560 4.400) 18.103 7.478 ( -0.000 -2.180 25.248) 25.342 8.325 ( -0.000 22.287 9.688) 24.302 10.571 ( 0.000 -23.959 -2.817) 24.124 12.894 ( -0.000 47.908 1.834) 47.943 16.063 ( -0.000 -24.557 26.392) 36.049 16.622 ( -0.000 0.389 49.740) 49.741 22.989 ( -0.000 -1.728 2.093) 2.714 23.851 ( 0.000 -2.888 -7.531) 8.066 24.019 ( 0.000 1.933 -7.076) 7.335 25.493 ( 0.000 -2.438 -3.274) 4.082 26.017 ( 0.000 -4.912 -3.632) 6.108 26.280 ( 0.000 5.765 -10.329) 11.829 28.413 ( 0.000 -0.541 -9.927) 9.942 28.511 ( 0.000 3.703 -6.393) 7.388 28.984 ( 0.000 -6.916 -1.721) 7.126 54.130 ( 0.000 -2.922 2.254) 3.690 54.315 ( 0.000 -0.233 -0.394) 0.458 54.685 ( 0.000 5.539 -9.002) 10.570 56.604 ( 0.000 -1.035 -6.962) 7.038 56.894 ( -0.000 4.485 1.131) 4.625 58.054 ( -0.000 -6.325 11.875) 13.455 ======================= Grid point 493 (94/104) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.989 ( -6.151 6.057 11.387) 14.289 5.529 ( 1.198 -1.415 -13.727) 13.852 5.646 ( -1.039 22.212 17.029) 28.008 6.773 ( 9.966 10.408 -7.864) 16.416 7.009 ( -2.408 12.460 4.085) 13.332 7.206 ( -6.812 -19.855 3.653) 21.307 7.668 ( -2.210 -7.242 14.662) 16.501 8.701 ( 1.095 27.054 8.917) 28.507 10.219 ( 5.044 -27.580 -2.442) 28.143 13.532 ( -7.850 52.684 1.299) 53.282 15.902 ( 0.163 -40.097 10.814) 41.530 17.086 ( 9.299 0.218 39.100) 40.192 23.053 ( 3.431 4.310 8.685) 10.285 23.732 ( -1.123 -3.303 -5.994) 6.935 23.952 ( 1.599 0.678 -6.565) 6.791 25.474 ( -2.586 -0.991 0.051) 2.770 25.876 ( 6.025 -3.991 -4.735) 8.640 26.262 ( -8.126 3.142 -10.686) 13.787 28.316 ( -1.697 -0.330 -7.680) 7.872 28.513 ( -0.122 6.310 -3.391) 7.165 28.877 ( 0.942 -7.887 -1.240) 8.039 54.140 ( 0.158 -1.479 3.798) 4.079 54.283 ( 3.947 -0.207 -0.228) 3.959 54.669 ( -6.244 3.352 -9.410) 11.780 56.529 ( -0.525 -0.558 -4.944) 5.003 56.954 ( -0.281 3.817 0.663) 3.884 58.092 ( 2.940 -5.254 9.400) 11.163 ======================= Grid point 494 (95/104) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.219 ( -8.252 2.012 2.394) 8.825 5.362 ( 0.620 -1.250 -6.818) 6.959 6.028 ( 3.546 12.759 14.707) 19.790 6.643 ( 9.665 9.048 -11.465) 17.513 7.113 ( -3.769 -8.132 1.550) 9.096 7.216 ( -2.519 -1.032 10.126) 10.485 7.690 ( -1.831 -8.032 0.813) 8.278 9.111 ( -0.034 30.448 7.055) 31.255 9.796 ( 8.917 -29.149 -1.281) 30.509 14.248 ( -10.252 52.262 0.755) 53.263 15.435 ( 0.493 -51.496 0.541) 51.501 17.262 ( 23.814 -0.009 24.072) 33.860 23.163 ( 6.147 2.547 11.693) 13.454 23.676 ( -4.653 -1.750 -7.145) 8.705 23.880 ( 1.771 0.846 -0.624) 2.059 25.500 ( 0.211 -0.942 1.593) 1.863 25.737 ( 2.142 0.957 -5.445) 5.929 26.282 ( -11.372 0.341 -8.910) 14.451 28.277 ( -4.344 -0.005 -4.704) 6.403 28.576 ( -0.470 8.335 -1.064) 8.416 28.763 ( 0.955 -8.000 -0.722) 8.089 54.159 ( 2.689 -0.653 2.745) 3.898 54.245 ( 2.337 -0.009 2.063) 3.117 54.679 ( -8.973 1.746 -9.241) 12.998 56.496 ( -1.850 0.131 -2.732) 3.301 56.996 ( -0.236 2.014 0.285) 2.048 58.083 ( 5.865 -3.312 6.513) 9.369 ======================= Grid point 495 (96/104) ======================= q-point: (-0.29 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.117 ( 6.624 -5.211 -5.864) 10.267 5.491 ( -14.165 1.977 2.410) 14.504 6.046 ( 14.673 -11.326 4.710) 19.125 6.655 ( 1.733 22.155 -4.569) 22.688 7.071 ( -3.107 -8.461 0.320) 9.019 7.281 ( 5.540 -10.497 13.090) 17.670 7.576 ( 0.306 -2.207 -9.630) 9.884 9.341 ( 12.061 -28.264 0.591) 30.735 9.542 ( -2.795 31.133 3.348) 31.437 14.788 ( 0.952 -56.643 -2.704) 56.716 14.914 ( -6.251 45.616 0.137) 46.043 17.091 ( 38.692 -0.271 9.418) 39.823 23.179 ( 9.766 -5.919 7.916) 13.895 23.648 ( -5.684 3.752 -5.286) 8.622 23.942 ( -4.519 1.561 3.221) 5.765 25.455 ( 3.959 -0.192 -1.598) 4.274 25.764 ( -3.830 5.931 -0.637) 7.089 26.326 ( -12.491 -2.039 -5.386) 13.755 28.308 ( -7.193 0.357 -1.874) 7.442 28.666 ( -0.185 -6.757 -0.220) 6.763 28.680 ( -0.940 9.029 0.023) 9.078 54.123 ( 4.367 0.013 0.263) 4.375 54.279 ( -0.136 0.195 3.839) 3.846 54.704 ( -9.666 0.308 -6.642) 11.733 56.513 ( -3.710 0.881 -0.937) 3.926 57.009 ( -0.031 -0.501 0.050) 0.504 58.033 ( 8.728 -0.699 3.321) 9.365 ======================= Grid point 496 (97/104) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.900 ( 12.384 -8.363 -0.000) 14.943 5.687 ( 17.730 -20.468 -0.000) 27.079 5.700 ( -17.211 0.905 0.000) 17.235 6.875 ( 2.471 21.773 0.000) 21.913 6.983 ( 4.679 -6.654 -0.000) 8.135 7.126 ( 5.950 -15.314 -0.000) 16.429 7.471 ( 4.591 -2.330 -0.000) 5.148 8.889 ( 13.139 -26.758 -0.000) 29.810 9.952 ( -4.132 30.076 0.000) 30.358 14.102 ( 1.448 -57.603 -0.000) 57.622 15.390 ( 4.591 34.355 0.000) 34.661 16.633 ( 49.226 -0.531 -0.000) 49.228 23.030 ( 9.141 -5.232 -0.000) 10.532 23.766 ( -7.967 4.736 0.000) 9.268 24.036 ( -6.208 0.537 0.000) 6.231 25.426 ( 0.912 2.813 0.000) 2.958 25.886 ( -4.286 6.578 0.000) 7.851 26.397 ( -11.713 -3.997 0.000) 12.376 28.399 ( -9.401 0.665 0.000) 9.424 28.611 ( -2.457 -4.991 -0.000) 5.563 28.800 ( -1.412 9.180 0.000) 9.288 54.086 ( 3.172 0.999 -0.000) 3.326 54.309 ( -0.328 0.273 0.000) 0.427 54.767 ( -9.720 -1.497 0.000) 9.834 56.575 ( -5.606 1.517 0.000) 5.808 56.987 ( 0.266 -3.030 -0.000) 3.042 57.947 ( 11.430 2.194 -0.000) 11.638 ======================= Grid point 507 (98/104) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.016 ( -0.000 3.768 9.251) 9.989 5.420 ( 0.000 -1.379 -9.299) 9.401 5.555 ( 0.000 23.689 14.075) 27.554 6.649 ( 0.000 8.001 -7.497) 10.965 6.818 ( 0.000 16.219 0.734) 16.235 7.420 ( 0.000 -18.937 2.444) 19.094 7.969 ( -0.000 -12.109 15.840) 19.939 8.496 ( 0.000 24.608 5.212) 25.153 10.515 ( -0.000 -23.602 -1.964) 23.684 12.926 ( 0.000 47.646 1.018) 47.656 16.507 ( -0.000 -41.721 12.912) 43.673 17.534 ( -0.000 0.088 29.327) 29.327 23.098 ( 0.000 5.822 6.166) 8.480 23.686 ( 0.000 -3.249 -6.246) 7.041 23.868 ( 0.000 2.896 -5.783) 6.467 25.439 ( -0.000 3.497 -1.630) 3.858 25.952 ( 0.000 -5.335 -2.027) 5.707 26.061 ( 0.000 0.737 -8.018) 8.052 28.231 ( -0.000 -0.152 -5.790) 5.792 28.399 ( 0.000 6.737 -3.443) 7.566 28.953 ( -0.000 -6.716 -0.954) 6.784 54.203 ( -0.000 -1.342 4.204) 4.413 54.308 ( 0.000 -0.188 -0.213) 0.284 54.495 ( -0.000 3.430 -7.748) 8.474 56.478 ( 0.000 -0.026 -3.916) 3.916 56.915 ( -0.000 3.983 0.673) 4.040 58.263 ( 0.000 -6.127 6.415) 8.870 ======================= Grid point 508 (99/104) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.149 ( -5.459 1.691 2.652) 6.300 5.321 ( 0.570 -1.354 -4.032) 4.291 5.969 ( -0.214 24.925 9.950) 26.839 6.575 ( 10.158 4.855 -7.432) 13.490 7.067 ( -3.797 17.563 1.298) 18.016 7.260 ( -9.532 -20.630 1.225) 22.759 7.911 ( 2.819 -16.591 5.787) 17.796 8.837 ( 1.182 28.920 3.017) 29.101 10.184 ( 5.143 -26.835 -0.711) 27.332 13.552 ( -7.817 52.450 0.463) 53.031 16.054 ( 0.224 -52.379 3.103) 52.471 17.707 ( 14.352 -0.001 14.572) 20.453 23.256 ( -0.871 7.238 7.528) 10.480 23.590 ( -0.439 -4.030 -5.974) 7.219 23.849 ( -0.233 2.737 -2.072) 3.441 25.504 ( -1.435 5.667 1.987) 6.174 25.770 ( 11.075 -4.599 -4.019) 12.647 26.076 ( -12.167 -1.750 -4.572) 13.115 28.195 ( -2.450 -0.003 -2.818) 3.734 28.462 ( -0.203 8.612 -1.135) 8.689 28.857 ( 0.894 -7.709 -0.441) 7.774 54.235 ( 3.067 -0.520 3.608) 4.764 54.285 ( 1.743 -0.030 0.787) 1.913 54.481 ( -6.495 2.020 -6.467) 9.385 56.452 ( -0.869 0.264 -1.753) 1.974 56.965 ( -0.295 3.406 0.261) 3.429 58.237 ( 2.801 -5.290 3.315) 6.843 ======================= Grid point 509 (100/104) ======================= q-point: (-0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.178 ( 1.209 -2.969 -0.000) 3.205 5.348 ( -8.916 1.548 0.000) 9.049 6.338 ( -0.040 26.792 0.000) 26.792 6.365 ( 15.232 -5.388 -0.000) 16.156 7.131 ( -4.809 -10.185 -0.000) 11.264 7.351 ( -9.289 7.624 0.000) 12.017 7.682 ( 5.849 -19.063 -0.000) 19.940 9.189 ( 0.068 31.606 0.000) 31.606 9.786 ( 9.118 -28.519 -0.000) 29.941 14.256 ( -10.221 52.140 0.000) 53.133 15.437 ( 0.556 -57.400 -0.000) 57.403 17.539 ( 28.847 -0.123 -0.000) 28.848 23.425 ( 7.499 -7.083 -0.000) 10.315 23.454 ( -6.798 7.188 0.000) 9.893 23.894 ( -3.218 2.228 0.000) 3.914 25.558 ( 9.934 -3.922 -0.000) 10.681 25.635 ( -2.961 8.003 0.000) 8.533 26.172 ( -13.475 -2.337 0.000) 13.676 28.223 ( -5.102 0.180 0.000) 5.105 28.564 ( -0.545 9.472 0.000) 9.488 28.755 ( 0.899 -7.888 -0.000) 7.939 54.185 ( 5.576 -0.478 -0.000) 5.596 54.299 ( -0.135 0.194 0.000) 0.237 54.549 ( -8.909 1.383 0.000) 9.016 56.465 ( -2.216 0.583 0.000) 2.291 57.000 ( -0.250 1.788 0.000) 1.805 58.158 ( 5.726 -3.453 -0.000) 6.687 ======================= Grid point 522 (101/104) ======================= q-point: (-0.36 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 399 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.116 ( -0.000 1.411 0.000) 1.411 5.317 ( 0.000 -1.366 0.000) 1.366 5.732 ( -0.000 25.084 0.000) 25.084 6.545 ( -0.000 5.076 0.000) 5.076 6.827 ( -0.000 17.948 0.000) 17.948 7.448 ( 0.000 -19.410 0.000) 19.410 8.151 ( 0.000 -15.277 0.000) 15.277 8.554 ( -0.000 25.439 0.000) 25.439 10.491 ( 0.000 -23.023 0.000) 23.023 12.938 ( -0.000 47.551 0.000) 47.551 16.651 ( 0.000 -48.195 0.000) 48.195 17.875 ( -0.000 0.001 0.000) 0.001 23.186 ( -0.000 8.759 0.000) 8.759 23.609 ( 0.000 -3.401 0.000) 3.401 23.793 ( -0.000 3.594 0.000) 3.594 25.420 ( -0.000 7.404 0.000) 7.404 25.929 ( 0.000 -5.491 0.000) 5.491 25.964 ( 0.000 -3.134 -0.000) 3.134 28.164 ( 0.000 -0.001 0.000) 0.001 28.360 ( -0.000 7.896 0.000) 7.896 28.942 ( 0.000 -6.644 0.000) 6.644 54.294 ( -0.000 0.124 0.000) 0.124 54.306 ( 0.000 -0.171 0.000) 0.171 54.364 ( -0.000 1.689 0.000) 1.689 56.434 ( -0.000 0.373 0.000) 0.373 56.923 ( -0.000 3.826 0.000) 3.826 58.336 ( 0.000 -6.030 0.000) 6.030 ======================= Grid point 713 (102/104) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.102 ( -0.000 3.711 5.280) 6.453 5.385 ( 0.000 -1.667 -9.615) 9.759 6.074 ( 0.000 20.057 16.304) 25.848 6.848 ( 0.000 10.351 -11.665) 15.595 6.921 ( 0.000 -24.118 1.465) 24.163 7.237 ( 0.000 19.457 3.622) 19.791 7.658 ( 0.000 -14.842 7.770) 16.753 9.119 ( 0.000 29.627 6.998) 30.442 9.899 ( 0.000 -30.285 -0.986) 30.301 14.127 ( 0.000 57.263 0.786) 57.269 15.440 ( 0.000 -51.402 0.602) 51.406 17.536 ( 0.000 0.113 29.111) 29.111 23.254 ( -0.000 7.669 9.119) 11.915 23.593 ( 0.000 -5.110 -6.544) 8.302 23.911 ( -0.000 0.700 -4.389) 4.445 25.497 ( -0.000 2.023 5.230) 5.608 25.809 ( 0.000 -7.224 -2.414) 7.617 26.106 ( 0.000 2.954 -13.110) 13.439 28.227 ( 0.000 -0.185 -5.461) 5.464 28.571 ( 0.000 8.204 -1.140) 8.282 28.775 ( -0.000 -8.888 -0.777) 8.922 54.184 ( 0.000 -0.383 5.447) 5.461 54.304 ( -0.000 -0.215 -0.177) 0.278 54.550 ( 0.000 1.283 -9.220) 9.308 56.475 ( 0.000 -0.301 -3.097) 3.112 56.994 ( 0.000 2.336 0.268) 2.352 58.151 ( -0.000 -2.903 6.370) 7.001 ======================= Grid point 714 (103/104) ======================= q-point: (-0.29 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.171 ( -1.842 -0.000 -1.842) 2.605 5.302 ( -1.617 0.000 -1.617) 2.286 6.368 ( 12.376 -0.000 12.376) 17.502 6.665 ( -1.674 0.000 -1.674) 2.368 6.879 ( -8.565 0.000 -8.565) 12.113 7.441 ( 6.581 0.000 6.581) 9.307 7.551 ( -2.988 -0.000 -2.988) 4.225 9.502 ( 1.077 0.000 1.077) 1.523 9.545 ( 3.121 -0.000 3.121) 4.413 14.800 ( -0.940 0.000 -0.940) 1.329 14.807 ( -1.536 -0.000 -1.536) 2.172 17.707 ( 14.465 0.000 14.465) 20.457 23.365 ( 6.596 -0.000 6.596) 9.329 23.518 ( -5.813 0.000 -5.813) 8.221 23.882 ( -0.836 0.000 -0.836) 1.182 25.583 ( 5.929 -0.000 5.929) 8.385 25.706 ( -1.127 -0.000 -1.127) 1.594 26.051 ( -9.796 0.000 -9.796) 13.853 28.195 ( -2.631 0.000 -2.631) 3.721 28.665 ( -0.111 -0.000 -0.111) 0.157 28.666 ( -0.218 0.000 -0.218) 0.308 54.230 ( 3.751 0.000 3.751) 5.305 54.285 ( 1.252 0.000 1.252) 1.770 54.504 ( -7.051 0.000 -7.051) 9.972 56.455 ( -1.309 0.000 -1.309) 1.851 57.009 ( 0.034 0.000 0.034) 0.048 58.171 ( 3.175 0.000 3.175) 4.490 ======================= Grid point 729 (104/104) ======================= q-point: (-0.29 -0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 8.24e-05 Number of triplets: 399 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.145 ( -0.000 0.871 0.000) 0.871 5.289 ( 0.000 -0.850 0.000) 0.850 6.338 ( -0.000 27.611 -0.000) 27.611 6.631 ( -0.000 2.163 0.000) 2.163 6.938 ( 0.000 -24.837 0.000) 24.837 7.280 ( -0.000 20.887 0.000) 20.887 7.749 ( 0.000 -19.938 0.000) 19.938 9.198 ( -0.000 30.524 0.000) 30.524 9.891 ( 0.000 -29.419 0.000) 29.419 14.136 ( -0.000 57.132 0.000) 57.132 15.443 ( 0.000 -57.299 0.000) 57.299 17.875 ( -0.000 0.001 0.000) 0.001 23.370 ( -0.000 7.298 0.000) 7.298 23.511 ( 0.000 -5.267 0.000) 5.267 23.857 ( -0.000 1.692 -0.000) 1.692 25.601 ( -0.000 8.321 0.000) 8.321 25.782 ( 0.000 -7.465 0.000) 7.465 25.907 ( 0.000 -1.488 -0.000) 1.488 28.164 ( 0.000 -0.000 0.000) 0.000 28.558 ( -0.000 9.345 0.000) 9.345 28.766 ( 0.000 -8.781 0.000) 8.781 54.297 ( -0.000 0.174 0.000) 0.174 54.302 ( 0.000 -0.195 0.000) 0.195 54.393 ( -0.000 0.746 0.000) 0.746 56.439 ( -0.000 0.136 0.000) 0.136 56.997 ( -0.000 2.107 0.000) 2.107 58.224 ( 0.000 -3.052 0.000) 3.052 =================== 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 3/74088 10.0 966.455 966.455 966.455 0.000 -0.000 -0.000 3/74088 20.0 2774.720 2774.720 2774.720 0.000 -0.000 -0.000 3/74088 30.0 1488.965 1488.965 1488.965 0.000 -0.000 -0.000 3/74088 40.0 643.590 643.590 643.590 0.000 -0.000 -0.000 3/74088 50.0 367.706 367.706 367.706 0.000 -0.000 -0.000 3/74088 60.0 250.735 250.735 250.735 0.000 -0.000 -0.000 3/74088 70.0 188.531 188.531 188.531 0.000 -0.000 -0.000 3/74088 80.0 150.349 150.349 150.349 0.000 -0.000 -0.000 3/74088 90.0 124.540 124.540 124.540 0.000 -0.000 -0.000 3/74088 100.0 105.906 105.906 105.906 0.000 -0.000 -0.000 3/74088 110.0 91.818 91.818 91.818 0.000 -0.000 -0.000 3/74088 120.0 80.806 80.806 80.806 0.000 -0.000 -0.000 3/74088 130.0 71.977 71.977 71.977 0.000 -0.000 -0.000 3/74088 140.0 64.752 64.752 64.752 0.000 -0.000 -0.000 3/74088 150.0 58.741 58.741 58.741 0.000 -0.000 -0.000 3/74088 160.0 53.670 53.670 53.670 0.000 -0.000 -0.000 3/74088 170.0 49.341 49.341 49.341 0.000 -0.000 -0.000 3/74088 180.0 45.606 45.606 45.606 0.000 -0.000 -0.000 3/74088 190.0 42.357 42.357 42.357 0.000 -0.000 -0.000 3/74088 200.0 39.508 39.508 39.508 0.000 -0.000 -0.000 3/74088 210.0 36.993 36.993 36.993 0.000 -0.000 -0.000 3/74088 220.0 34.758 34.758 34.758 0.000 -0.000 -0.000 3/74088 230.0 32.763 32.763 32.763 0.000 -0.000 -0.000 3/74088 240.0 30.971 30.971 30.971 0.000 -0.000 -0.000 3/74088 250.0 29.356 29.356 29.356 0.000 -0.000 -0.000 3/74088 260.0 27.893 27.893 27.893 0.000 -0.000 -0.000 3/74088 270.0 26.563 26.563 26.563 0.000 -0.000 -0.000 3/74088 280.0 25.350 25.350 25.350 0.000 -0.000 -0.000 3/74088 290.0 24.239 24.239 24.239 0.000 -0.000 -0.000 3/74088 300.0 23.219 23.219 23.219 0.000 -0.000 -0.000 3/74088 310.0 22.279 22.279 22.279 0.000 -0.000 -0.000 3/74088 320.0 21.410 21.410 21.410 0.000 -0.000 -0.000 3/74088 330.0 20.606 20.606 20.606 0.000 -0.000 -0.000 3/74088 340.0 19.859 19.859 19.859 0.000 -0.000 -0.000 3/74088 350.0 19.164 19.164 19.164 0.000 -0.000 -0.000 3/74088 360.0 18.515 18.515 18.515 0.000 -0.000 -0.000 3/74088 370.0 17.909 17.909 17.909 0.000 -0.000 -0.000 3/74088 380.0 17.340 17.340 17.340 0.000 -0.000 -0.000 3/74088 390.0 16.807 16.807 16.807 0.000 -0.000 -0.000 3/74088 400.0 16.306 16.306 16.306 0.000 -0.000 -0.000 3/74088 410.0 15.833 15.833 15.833 0.000 -0.000 -0.000 3/74088 420.0 15.388 15.388 15.388 0.000 -0.000 -0.000 3/74088 430.0 14.967 14.967 14.967 0.000 -0.000 -0.000 3/74088 440.0 14.568 14.568 14.568 0.000 -0.000 -0.000 3/74088 450.0 14.190 14.190 14.190 0.000 -0.000 -0.000 3/74088 460.0 13.832 13.832 13.832 0.000 -0.000 -0.000 3/74088 470.0 13.491 13.491 13.491 0.000 -0.000 -0.000 3/74088 480.0 13.167 13.167 13.167 0.000 -0.000 -0.000 3/74088 490.0 12.858 12.858 12.858 0.000 -0.000 -0.000 3/74088 500.0 12.564 12.564 12.564 0.000 -0.000 -0.000 3/74088 510.0 12.283 12.283 12.283 0.000 -0.000 -0.000 3/74088 520.0 12.014 12.014 12.014 0.000 -0.000 -0.000 3/74088 530.0 11.757 11.757 11.757 0.000 -0.000 -0.000 3/74088 540.0 11.511 11.511 11.511 0.000 -0.000 -0.000 3/74088 550.0 11.275 11.275 11.275 0.000 -0.000 -0.000 3/74088 560.0 11.049 11.049 11.049 0.000 -0.000 -0.000 3/74088 570.0 10.832 10.832 10.832 0.000 -0.000 -0.000 3/74088 580.0 10.623 10.623 10.623 0.000 -0.000 -0.000 3/74088 590.0 10.422 10.422 10.422 0.000 -0.000 -0.000 3/74088 600.0 10.229 10.229 10.229 0.000 -0.000 -0.000 3/74088 610.0 10.043 10.043 10.043 0.000 -0.000 -0.000 3/74088 620.0 9.864 9.864 9.864 0.000 -0.000 -0.000 3/74088 630.0 9.691 9.691 9.691 0.000 -0.000 -0.000 3/74088 640.0 9.525 9.525 9.525 0.000 -0.000 -0.000 3/74088 650.0 9.364 9.364 9.364 0.000 -0.000 -0.000 3/74088 660.0 9.208 9.208 9.208 0.000 -0.000 -0.000 3/74088 670.0 9.058 9.058 9.058 0.000 -0.000 -0.000 3/74088 680.0 8.912 8.912 8.912 0.000 -0.000 -0.000 3/74088 690.0 8.771 8.771 8.771 0.000 -0.000 -0.000 3/74088 700.0 8.635 8.635 8.635 0.000 -0.000 -0.000 3/74088 710.0 8.503 8.503 8.503 0.000 -0.000 -0.000 3/74088 720.0 8.375 8.375 8.375 0.000 -0.000 -0.000 3/74088 730.0 8.251 8.251 8.251 0.000 -0.000 -0.000 3/74088 740.0 8.131 8.131 8.131 0.000 -0.000 -0.000 3/74088 750.0 8.014 8.014 8.014 0.000 -0.000 -0.000 3/74088 760.0 7.900 7.900 7.900 0.000 -0.000 -0.000 3/74088 770.0 7.790 7.790 7.790 0.000 -0.000 -0.000 3/74088 780.0 7.683 7.683 7.683 0.000 -0.000 -0.000 3/74088 790.0 7.578 7.578 7.578 0.000 -0.000 -0.000 3/74088 800.0 7.477 7.477 7.477 0.000 -0.000 -0.000 3/74088 810.0 7.378 7.378 7.378 0.000 -0.000 -0.000 3/74088 820.0 7.282 7.282 7.282 0.000 -0.000 -0.000 3/74088 830.0 7.189 7.189 7.189 0.000 -0.000 -0.000 3/74088 840.0 7.098 7.098 7.098 0.000 -0.000 -0.000 3/74088 850.0 7.009 7.009 7.009 0.000 -0.000 -0.000 3/74088 860.0 6.922 6.922 6.922 0.000 -0.000 -0.000 3/74088 870.0 6.838 6.838 6.838 0.000 -0.000 -0.000 3/74088 880.0 6.756 6.756 6.756 0.000 -0.000 -0.000 3/74088 890.0 6.675 6.675 6.675 0.000 -0.000 -0.000 3/74088 900.0 6.597 6.597 6.597 0.000 -0.000 -0.000 3/74088 910.0 6.521 6.521 6.521 0.000 -0.000 -0.000 3/74088 920.0 6.446 6.446 6.446 0.000 -0.000 -0.000 3/74088 930.0 6.373 6.373 6.373 0.000 -0.000 -0.000 3/74088 940.0 6.301 6.301 6.301 0.000 -0.000 -0.000 3/74088 950.0 6.232 6.232 6.232 0.000 -0.000 -0.000 3/74088 960.0 6.164 6.164 6.164 0.000 -0.000 -0.000 3/74088 970.0 6.097 6.097 6.097 0.000 -0.000 -0.000 3/74088 980.0 6.032 6.032 6.032 0.000 -0.000 -0.000 3/74088 990.0 5.968 5.968 5.968 0.000 -0.000 -0.000 3/74088 1000.0 5.905 5.905 5.905 0.000 -0.000 -0.000 3/74088 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:38:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|