----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:38:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: F-43m (216) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 2.977441215000001 2.977441215000001 b 2.977441215000001 0.000000000000000 2.977441215000001 c 2.977441215000001 2.977441215000001 0.000000000000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *2 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 *3 H 0.61902647940077 0.14292056179768 0.61902647940077 1.008 4 H 0.61902647940077 0.61902647940077 0.61902647940077 1.008 5 H 0.61902647940077 0.61902647940077 0.14292056179768 1.008 6 H 0.14292056179768 0.61902647940077 0.61902647940077 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.954882430000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.954882430000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.954882430000001 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 1 3 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 *5 B 0.50000000000000 0.00000000000000 0.00000000000000 10.811 > 2 6 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 > 2 7 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 > 2 8 B 0.00000000000000 0.50000000000000 0.00000000000000 10.811 > 2 *9 H 0.38097352059923 0.11902647940077 0.88097352059923 1.008 > 3 10 H 0.11902647940077 0.11902647940077 0.61902647940077 1.008 > 4 11 H 0.88097352059923 0.88097352059923 0.61902647940077 1.008 > 5 12 H 0.61902647940077 0.88097352059923 0.88097352059923 1.008 > 6 13 H 0.38097352059923 0.61902647940077 0.38097352059923 1.008 > 3 14 H 0.11902647940077 0.61902647940077 0.11902647940077 1.008 > 4 15 H 0.88097352059923 0.38097352059923 0.11902647940077 1.008 > 5 16 H 0.61902647940077 0.38097352059923 0.38097352059923 1.008 > 6 17 H 0.88097352059923 0.11902647940077 0.38097352059923 1.008 > 3 18 H 0.61902647940077 0.11902647940077 0.11902647940077 1.008 > 4 19 H 0.38097352059923 0.88097352059923 0.11902647940077 1.008 > 5 20 H 0.11902647940077 0.88097352059923 0.38097352059923 1.008 > 6 21 H 0.88097352059923 0.61902647940077 0.88097352059923 1.008 > 3 22 H 0.61902647940077 0.61902647940077 0.61902647940077 1.008 > 4 23 H 0.38097352059923 0.38097352059923 0.61902647940077 1.008 > 5 24 H 0.11902647940077 0.38097352059923 0.88097352059923 1.008 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.954882430000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.954882430000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.954882430000001 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 1 3 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 *5 B 0.50000000000000 0.00000000000000 0.00000000000000 10.811 > 2 6 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 > 2 7 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 > 2 8 B 0.00000000000000 0.50000000000000 0.00000000000000 10.811 > 2 *9 H 0.38097352059923 0.11902647940077 0.88097352059923 1.008 > 3 10 H 0.11902647940077 0.11902647940077 0.61902647940077 1.008 > 4 11 H 0.88097352059923 0.88097352059923 0.61902647940077 1.008 > 5 12 H 0.61902647940077 0.88097352059923 0.88097352059923 1.008 > 6 13 H 0.38097352059923 0.61902647940077 0.38097352059923 1.008 > 3 14 H 0.11902647940077 0.61902647940077 0.11902647940077 1.008 > 4 15 H 0.88097352059923 0.38097352059923 0.11902647940077 1.008 > 5 16 H 0.61902647940077 0.38097352059923 0.38097352059923 1.008 > 6 17 H 0.88097352059923 0.11902647940077 0.38097352059923 1.008 > 3 18 H 0.61902647940077 0.11902647940077 0.11902647940077 1.008 > 4 19 H 0.38097352059923 0.88097352059923 0.11902647940077 1.008 > 5 20 H 0.11902647940077 0.88097352059923 0.38097352059923 1.008 > 6 21 H 0.88097352059923 0.61902647940077 0.88097352059923 1.008 > 3 22 H 0.61902647940077 0.61902647940077 0.61902647940077 1.008 > 4 23 H 0.38097352059923 0.38097352059923 0.61902647940077 1.008 > 5 24 H 0.11902647940077 0.38097352059923 0.88097352059923 1.008 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7104728 0.0000000 0.0000000 0.0000000 2.7104728 0.0000000 0.0000000 0.0000000 2.7104728 -------------------------- Born effective charges -------------------------- 1 Na 1.1026261 0.0000000 0.0000000 0.0000000 1.1026261 0.0000000 0.0000000 0.0000000 1.1026261 2 B -0.0026878 0.0000000 0.0000000 0.0000000 -0.0026878 0.0000000 0.0000000 0.0000000 -0.0026878 3 H -0.2749846 0.1194459 -0.1194459 0.1194459 -0.2749846 0.1194459 -0.1194459 0.1194459 -0.2749846 4 H -0.2749846 -0.1194459 -0.1194459 -0.1194459 -0.2749846 -0.1194459 -0.1194459 -0.1194459 -0.2749846 5 H -0.2749846 -0.1194459 0.1194459 -0.1194459 -0.2749846 0.1194459 0.1194459 0.1194459 -0.2749846 6 H -0.2749846 0.1194459 0.1194459 0.1194459 -0.2749846 -0.1194459 0.1194459 -0.1194459 -0.2749846 ---------------------------------------------------------------------------- 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: 72/72 Permutation basis: 882/882 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 43 Number of blocks in projector: 43 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: 25 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 18 Use standard eigh solver. Tree of FC basis block matrices: - (43, 39), data: False |-- (18, 17), data: True |-- (25, 22), data: True ----- Solver_atoms: 1 -- 24 / 24 Time (Solver_compr_matrix_reshape): 0.000 Solver_block: 80 / 80 - Time: 0.003 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.003 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 72/72 Permutation basis: 882/882 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 43 Number of blocks in projector: 43 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: 25 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 18 Use standard eigh solver. Tree of FC basis block matrices: - (43, 39), data: False |-- (18, 17), data: True |-- (25, 22), 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 2026-01-09 04:38:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:38:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: F-43m (216) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 2.977441215000001 2.977441215000001 b 2.977441215000001 0.000000000000000 2.977441215000001 c 2.977441215000001 2.977441215000001 0.000000000000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 3 H 0.61902647940077 0.14292056179768 0.61902647940077 1.008 4 H 0.61902647940077 0.61902647940077 0.61902647940077 1.008 5 H 0.61902647940077 0.61902647940077 0.14292056179768 1.008 6 H 0.14292056179768 0.61902647940077 0.61902647940077 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.954882430000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.954882430000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.954882430000001 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 1 3 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 5 B 0.50000000000000 0.00000000000000 0.00000000000000 10.811 > 5 6 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 > 5 7 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 > 5 8 B 0.00000000000000 0.50000000000000 0.00000000000000 10.811 > 5 9 H 0.38097352059923 0.11902647940077 0.88097352059923 1.008 > 9 10 H 0.11902647940077 0.11902647940077 0.61902647940077 1.008 > 10 11 H 0.88097352059923 0.88097352059923 0.61902647940077 1.008 > 11 12 H 0.61902647940077 0.88097352059923 0.88097352059923 1.008 > 12 13 H 0.38097352059923 0.61902647940077 0.38097352059923 1.008 > 9 14 H 0.11902647940077 0.61902647940077 0.11902647940077 1.008 > 10 15 H 0.88097352059923 0.38097352059923 0.11902647940077 1.008 > 11 16 H 0.61902647940077 0.38097352059923 0.38097352059923 1.008 > 12 17 H 0.88097352059923 0.11902647940077 0.38097352059923 1.008 > 9 18 H 0.61902647940077 0.11902647940077 0.11902647940077 1.008 > 10 19 H 0.38097352059923 0.88097352059923 0.11902647940077 1.008 > 11 20 H 0.11902647940077 0.88097352059923 0.38097352059923 1.008 > 12 21 H 0.88097352059923 0.61902647940077 0.88097352059923 1.008 > 9 22 H 0.61902647940077 0.61902647940077 0.61902647940077 1.008 > 10 23 H 0.38097352059923 0.38097352059923 0.61902647940077 1.008 > 11 24 H 0.11902647940077 0.38097352059923 0.88097352059923 1.008 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7104728 0.0000000 0.0000000 0.0000000 2.7104728 0.0000000 0.0000000 0.0000000 2.7104728 -------------------------- Born effective charges -------------------------- 1 Na 1.1026261 0.0000000 0.0000000 0.0000000 1.1026261 0.0000000 0.0000000 0.0000000 1.1026261 2 B -0.0026878 0.0000000 0.0000000 0.0000000 -0.0026878 0.0000000 0.0000000 0.0000000 -0.0026878 3 H -0.2749846 0.1194459 -0.1194459 0.1194459 -0.2749846 0.1194459 -0.1194459 0.1194459 -0.2749846 4 H -0.2749846 -0.1194459 -0.1194459 -0.1194459 -0.2749846 -0.1194459 -0.1194459 -0.1194459 -0.2749846 5 H -0.2749846 -0.1194459 0.1194459 -0.1194459 -0.2749846 0.1194459 0.1194459 0.1194459 -0.2749846 6 H -0.2749846 0.1194459 0.1194459 0.1194459 -0.2749846 -0.1194459 0.1194459 -0.1194459 -0.2749846 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Computing fc3[ 9, 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: 0.00000227 (xzy) 0.00000227 (xzy) 0.00000227 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:38:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:38:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: F-43m (216) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 2.977441215000001 2.977441215000001 b 2.977441215000001 0.000000000000000 2.977441215000001 c 2.977441215000001 2.977441215000001 0.000000000000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 3 H 0.61902647940077 0.14292056179768 0.61902647940077 1.008 4 H 0.61902647940077 0.61902647940077 0.61902647940077 1.008 5 H 0.61902647940077 0.61902647940077 0.14292056179768 1.008 6 H 0.14292056179768 0.61902647940077 0.61902647940077 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.954882430000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.954882430000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.954882430000001 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 1 3 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 5 B 0.50000000000000 0.00000000000000 0.00000000000000 10.811 > 5 6 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 > 5 7 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 > 5 8 B 0.00000000000000 0.50000000000000 0.00000000000000 10.811 > 5 9 H 0.38097352059923 0.11902647940077 0.88097352059923 1.008 > 9 10 H 0.11902647940077 0.11902647940077 0.61902647940077 1.008 > 10 11 H 0.88097352059923 0.88097352059923 0.61902647940077 1.008 > 11 12 H 0.61902647940077 0.88097352059923 0.88097352059923 1.008 > 12 13 H 0.38097352059923 0.61902647940077 0.38097352059923 1.008 > 9 14 H 0.11902647940077 0.61902647940077 0.11902647940077 1.008 > 10 15 H 0.88097352059923 0.38097352059923 0.11902647940077 1.008 > 11 16 H 0.61902647940077 0.38097352059923 0.38097352059923 1.008 > 12 17 H 0.88097352059923 0.11902647940077 0.38097352059923 1.008 > 9 18 H 0.61902647940077 0.11902647940077 0.11902647940077 1.008 > 10 19 H 0.38097352059923 0.88097352059923 0.11902647940077 1.008 > 11 20 H 0.11902647940077 0.88097352059923 0.38097352059923 1.008 > 12 21 H 0.88097352059923 0.61902647940077 0.88097352059923 1.008 > 9 22 H 0.61902647940077 0.61902647940077 0.61902647940077 1.008 > 10 23 H 0.38097352059923 0.38097352059923 0.61902647940077 1.008 > 11 24 H 0.11902647940077 0.38097352059923 0.88097352059923 1.008 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7104728 0.0000000 0.0000000 0.0000000 2.7104728 0.0000000 0.0000000 0.0000000 2.7104728 -------------------------- Born effective charges -------------------------- 1 Na 1.1026261 0.0000000 0.0000000 0.0000000 1.1026261 0.0000000 0.0000000 0.0000000 1.1026261 2 B -0.0026878 0.0000000 0.0000000 0.0000000 -0.0026878 0.0000000 0.0000000 0.0000000 -0.0026878 3 H -0.2749846 0.1194459 -0.1194459 0.1194459 -0.2749846 0.1194459 -0.1194459 0.1194459 -0.2749846 4 H -0.2749846 -0.1194459 -0.1194459 -0.1194459 -0.2749846 -0.1194459 -0.1194459 -0.1194459 -0.2749846 5 H -0.2749846 -0.1194459 0.1194459 -0.1194459 -0.2749846 0.1194459 0.1194459 0.1194459 -0.2749846 6 H -0.2749846 0.1194459 0.1194459 0.1194459 -0.2749846 -0.1194459 0.1194459 -0.1194459 -0.2749846 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000227 (xzy) 0.00000227 (xzy) 0.00000227 (xyz) 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 ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.11, Number of G-points: 307, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 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 5.276 ( 0.000 0.000 -0.000) 0.000 5.276 ( 0.000 -0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.368 ( -0.000 0.000 -0.000) 0.000 5.368 ( -0.000 0.000 -0.000) 0.000 5.368 ( -0.000 0.000 0.000) 0.000 32.473 ( 0.000 0.000 0.000) 0.000 32.473 ( 0.000 0.000 0.000) 0.000 32.473 ( 0.000 0.000 0.000) 0.000 36.998 ( 0.000 0.000 -0.000) 0.000 36.998 ( -0.000 0.000 0.000) 0.000 70.202 ( 0.000 0.000 0.000) 0.000 72.063 ( -0.000 -0.000 0.000) 0.000 72.063 ( 0.000 -0.000 0.000) 0.000 72.063 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -16.624 16.624 16.624) 28.793 0.585 ( -16.624 16.624 16.624) 28.793 1.187 ( -34.564 34.564 34.564) 59.866 5.266 ( 1.244 -1.244 -1.244) 2.155 5.266 ( 1.244 -1.244 -1.244) 2.155 5.357 ( -4.690 4.690 4.690) 8.124 5.632 ( -15.781 15.781 15.781) 27.334 5.632 ( -15.781 15.781 15.781) 27.334 8.264 ( -0.626 0.626 0.626) 1.085 32.456 ( 1.010 -1.010 -1.010) 1.750 32.456 ( 1.010 -1.010 -1.010) 1.750 32.618 ( 0.709 -0.709 -0.709) 1.229 36.994 ( 0.223 -0.223 -0.223) 0.386 36.994 ( 0.223 -0.223 -0.223) 0.386 70.190 ( 0.690 -0.690 -0.690) 1.196 72.065 ( -0.121 0.121 0.121) 0.210 72.065 ( -0.121 0.121 0.121) 0.210 72.721 ( -0.324 0.324 0.324) 0.562 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -14.328 14.328 14.328) 24.817 1.105 ( -14.328 14.328 14.328) 24.817 2.296 ( -31.131 31.131 31.131) 53.921 5.199 ( 2.678 -2.678 -2.678) 4.638 5.199 ( 2.678 -2.678 -2.678) 4.638 5.578 ( -8.229 8.229 8.229) 14.253 6.360 ( -26.407 26.407 26.407) 45.737 6.360 ( -26.407 26.407 26.407) 45.737 8.301 ( -1.618 1.618 1.618) 2.802 32.406 ( 1.922 -1.922 -1.922) 3.330 32.406 ( 1.922 -1.922 -1.922) 3.330 32.584 ( 1.311 -1.311 -1.311) 2.270 36.984 ( 0.390 -0.390 -0.390) 0.676 36.984 ( 0.390 -0.390 -0.390) 0.676 70.157 ( 1.256 -1.256 -1.256) 2.175 72.071 ( -0.222 0.222 0.222) 0.385 72.071 ( -0.222 0.222 0.222) 0.385 72.737 ( -0.586 0.586 0.586) 1.015 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -12.323 12.323 12.323) 21.345 1.551 ( -12.323 12.323 12.323) 21.345 3.255 ( -25.649 25.649 25.649) 44.426 5.090 ( 3.734 -3.734 -3.734) 6.467 5.090 ( 3.734 -3.734 -3.734) 6.467 5.889 ( -9.975 9.975 9.975) 17.278 7.327 ( -30.111 30.111 30.111) 52.155 7.327 ( -30.111 30.111 30.111) 52.155 8.379 ( -3.122 3.122 3.122) 5.408 32.329 ( 2.610 -2.610 -2.610) 4.520 32.329 ( 2.610 -2.610 -2.610) 4.520 32.533 ( 1.705 -1.705 -1.705) 2.953 36.969 ( 0.469 -0.469 -0.469) 0.812 36.969 ( 0.469 -0.469 -0.469) 0.812 70.108 ( 1.598 -1.598 -1.598) 2.767 72.079 ( -0.286 0.286 0.286) 0.496 72.079 ( -0.286 0.286 0.286) 0.496 72.759 ( -0.738 0.738 0.738) 1.278 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -10.564 10.564 10.564) 18.298 1.935 ( -10.564 10.564 10.564) 18.298 4.004 ( -18.839 18.839 18.839) 32.630 4.953 ( 4.362 -4.362 -4.362) 7.556 4.953 ( 4.362 -4.362 -4.362) 7.556 6.227 ( -9.865 9.865 9.865) 17.086 8.322 ( -28.393 28.393 28.393) 49.178 8.322 ( -28.393 28.393 28.393) 49.178 8.512 ( -4.751 4.751 4.751) 8.228 32.235 ( 2.918 -2.918 -2.918) 5.054 32.235 ( 2.918 -2.918 -2.918) 5.054 32.473 ( 1.818 -1.818 -1.818) 3.148 36.953 ( 0.453 -0.453 -0.453) 0.785 36.953 ( 0.453 -0.453 -0.453) 0.785 70.053 ( 1.660 -1.660 -1.660) 2.876 72.089 ( -0.301 0.301 0.301) 0.521 72.089 ( -0.301 0.301 0.301) 0.521 72.785 ( -0.758 0.758 0.758) 1.314 ======================= Grid point 5 (6/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -8.567 8.567 8.567) 14.838 2.258 ( -8.567 8.567 8.567) 14.838 4.520 ( -12.009 12.009 12.009) 20.800 4.804 ( 4.353 -4.353 -4.353) 7.540 4.804 ( 4.353 -4.353 -4.353) 7.540 6.534 ( -8.187 8.187 8.187) 14.180 8.688 ( -5.486 5.486 5.486) 9.501 9.192 ( -22.865 22.865 22.865) 39.604 9.192 ( -22.865 22.865 22.865) 39.604 32.139 ( 2.708 -2.708 -2.708) 4.691 32.139 ( 2.708 -2.708 -2.708) 4.691 32.414 ( 1.613 -1.613 -1.613) 2.793 36.939 ( 0.364 -0.364 -0.364) 0.631 36.939 ( 0.364 -0.364 -0.364) 0.631 70.000 ( 1.438 -1.438 -1.438) 2.490 72.099 ( -0.263 0.263 0.263) 0.456 72.099 ( -0.263 0.263 0.263) 0.456 72.809 ( -0.650 0.650 0.650) 1.126 ======================= Grid point 6 (7/120) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -5.851 5.851 5.851) 10.135 2.503 ( -5.851 5.851 5.851) 10.135 4.671 ( 3.404 -3.404 -3.404) 5.895 4.671 ( 3.404 -3.404 -3.404) 5.895 4.824 ( -6.325 6.325 6.325) 10.955 6.764 ( -5.367 5.367 5.367) 9.297 8.860 ( -4.430 4.430 4.430) 7.672 9.829 ( -14.754 14.754 14.754) 25.554 9.829 ( -14.754 14.754 14.754) 25.554 32.059 ( 1.931 -1.931 -1.931) 3.345 32.059 ( 1.931 -1.931 -1.931) 3.345 32.368 ( 1.111 -1.111 -1.111) 1.925 36.929 ( 0.231 -0.231 -0.231) 0.400 36.929 ( 0.231 -0.231 -0.231) 0.400 69.959 ( 0.972 -0.972 -0.972) 1.684 72.106 ( -0.180 0.180 0.180) 0.311 72.106 ( -0.180 0.180 0.180) 0.311 72.827 ( -0.436 0.436 0.436) 0.756 ======================= Grid point 7 (8/120) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -2.132 2.132 2.132) 3.692 2.639 ( -2.132 2.132 2.132) 3.692 4.589 ( 1.329 -1.329 -1.329) 2.302 4.589 ( 1.329 -1.329 -1.329) 2.302 4.960 ( -1.932 1.932 1.932) 3.347 6.887 ( -1.865 1.865 1.865) 3.230 8.967 ( -1.696 1.696 1.696) 2.937 10.166 ( -5.092 5.092 5.092) 8.820 10.166 ( -5.092 5.092 5.092) 8.820 32.014 ( 0.702 -0.702 -0.702) 1.216 32.014 ( 0.702 -0.702 -0.702) 1.216 32.342 ( 0.396 -0.396 -0.396) 0.686 36.924 ( 0.079 -0.079 -0.079) 0.136 36.924 ( 0.079 -0.079 -0.079) 0.136 69.937 ( 0.343 -0.343 -0.343) 0.594 72.111 ( -0.064 0.064 0.064) 0.110 72.111 ( -0.064 0.064 0.064) 0.110 72.837 ( -0.153 0.153 0.153) 0.266 ======================= Grid point 16 (9/120) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -0.000 0.000 28.834) 28.834 0.684 ( -0.000 0.000 28.834) 28.834 1.353 ( -0.000 0.000 58.840) 58.840 5.232 ( 0.000 -0.000 -2.869) 2.869 5.232 ( 0.000 -0.000 -2.869) 2.869 5.658 ( -0.000 0.000 24.051) 24.051 5.658 ( -0.000 0.000 24.051) 24.051 5.666 ( -0.000 0.000 33.167) 33.167 8.204 ( 0.000 -0.000 -4.301) 4.301 32.445 ( 0.000 -0.000 -2.463) 2.463 32.445 ( 0.000 -0.000 -2.463) 2.463 32.621 ( 0.000 -0.000 -0.865) 0.865 36.984 ( 0.000 -0.000 -1.243) 1.243 37.005 ( -0.000 0.000 0.596) 0.596 70.186 ( 0.000 -0.000 -1.384) 1.384 72.064 ( -0.000 0.000 0.113) 0.113 72.064 ( -0.000 0.000 0.113) 0.113 72.726 ( -0.000 0.000 0.890) 0.890 ======================= Grid point 17 (10/120) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -6.471 6.471 23.221) 24.959 1.147 ( -9.912 9.912 26.973) 30.398 2.167 ( -15.773 15.773 47.478) 52.457 5.202 ( -0.343 0.343 -4.137) 4.165 5.283 ( -2.298 2.298 0.414) 3.277 5.801 ( 6.893 -6.893 31.282) 32.765 6.003 ( -9.075 9.075 26.213) 29.186 6.400 ( -17.486 17.486 44.133) 50.589 8.220 ( -4.940 4.940 -3.686) 7.899 32.401 ( 0.856 -0.856 -3.562) 3.762 32.407 ( 0.513 -0.513 -3.486) 3.561 32.597 ( 0.995 -0.995 -1.235) 1.873 36.967 ( -0.048 0.048 -1.764) 1.765 37.006 ( 0.597 -0.597 0.813) 1.172 70.160 ( 0.627 -0.627 -1.958) 2.150 72.067 ( -0.150 0.150 0.159) 0.265 72.068 ( -0.231 0.231 0.167) 0.366 72.739 ( -0.148 0.148 1.252) 1.269 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -8.021 8.021 18.123) 21.380 1.645 ( -6.745 6.745 27.385) 28.999 3.039 ( -20.384 20.384 33.754) 44.388 5.143 ( 1.502 -1.502 -4.246) 4.748 5.271 ( 7.284 -7.284 8.074) 13.089 6.044 ( 3.313 -3.313 31.747) 32.091 6.677 ( -28.579 28.579 14.903) 43.077 7.363 ( -20.497 20.497 48.945) 56.884 8.336 ( -5.976 5.976 2.850) 8.919 32.329 ( 1.549 -1.549 -4.398) 4.913 32.344 ( 1.319 -1.319 -4.038) 4.448 32.551 ( 1.589 -1.589 -1.559) 2.735 36.948 ( -0.169 0.169 -2.072) 2.085 36.998 ( 0.958 -0.958 0.894) 1.623 70.117 ( 1.076 -1.076 -2.313) 2.769 72.074 ( -0.269 0.269 0.189) 0.425 72.077 ( -0.309 0.309 0.220) 0.489 72.760 ( -0.320 0.320 1.456) 1.525 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -8.215 8.215 14.669) 18.713 2.058 ( -3.426 3.426 26.336) 26.778 3.796 ( -18.529 18.529 22.306) 34.412 5.042 ( 3.494 -3.494 -3.500) 6.055 5.164 ( 11.359 -11.359 11.088) 19.519 6.343 ( 1.161 -1.161 29.720) 29.766 7.515 ( -35.944 35.944 1.181) 50.846 8.355 ( -19.496 19.496 45.923) 53.564 8.567 ( -6.618 6.618 14.314) 17.103 32.237 ( 1.933 -1.933 -4.775) 5.502 32.260 ( 1.958 -1.958 -4.130) 4.972 32.494 ( 1.861 -1.861 -1.730) 3.149 36.930 ( -0.332 0.332 -2.128) 2.179 36.984 ( 1.137 -1.137 0.878) 1.833 70.063 ( 1.271 -1.271 -2.389) 2.990 72.083 ( -0.339 0.339 0.196) 0.518 72.087 ( -0.331 0.331 0.214) 0.515 72.785 ( -0.388 0.388 1.515) 1.611 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -7.531 7.531 11.999) 16.043 2.390 ( -1.233 1.233 23.656) 23.720 4.351 ( -13.639 13.639 12.298) 22.876 4.914 ( 4.841 -4.841 -2.456) 7.273 5.027 ( 12.344 -12.344 12.633) 21.549 6.638 ( 0.886 -0.886 26.300) 26.330 8.218 ( -29.501 29.501 -9.411) 42.770 8.982 ( -11.875 11.875 22.905) 28.402 9.222 ( -15.563 15.563 37.403) 43.398 32.141 ( 1.876 -1.876 -4.499) 5.223 32.168 ( 2.205 -2.205 -3.756) 4.882 32.433 ( 1.772 -1.772 -1.681) 3.017 36.916 ( -0.496 0.496 -1.951) 2.073 36.967 ( 1.142 -1.142 0.781) 1.794 70.009 ( 1.184 -1.184 -2.178) 2.748 72.093 ( -0.345 0.345 0.177) 0.519 72.096 ( -0.315 0.315 0.132) 0.464 72.810 ( -0.326 0.326 1.439) 1.511 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -5.860 5.860 9.496) 12.604 2.639 ( 0.915 -0.915 19.707) 19.749 4.677 ( -6.931 6.931 3.956) 10.570 4.779 ( 5.197 -5.197 -1.152) 7.439 4.919 ( 10.062 -10.062 15.002) 20.677 6.877 ( 2.206 -2.206 22.142) 22.361 8.636 ( -16.728 16.728 -6.091) 24.429 9.541 ( -16.558 16.558 15.474) 28.067 9.860 ( -9.597 9.597 25.185) 28.609 32.059 ( 1.323 -1.323 -3.490) 3.960 32.083 ( 1.902 -1.902 -2.968) 4.006 32.380 ( 1.325 -1.325 -1.378) 2.326 36.909 ( -0.623 0.623 -1.594) 1.821 36.951 ( 0.996 -0.996 0.617) 1.538 69.964 ( 0.835 -0.835 -1.720) 2.086 72.102 ( -0.287 0.287 0.136) 0.428 72.103 ( -0.265 0.265 -0.014) 0.375 72.830 ( -0.149 0.149 1.249) 1.266 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -2.902 2.902 6.815) 7.955 2.781 ( 3.769 -3.769 14.697) 15.634 4.667 ( 4.204 -4.204 0.495) 5.966 4.747 ( 4.337 -4.337 8.467) 10.456 4.944 ( 1.234 -1.234 8.111) 8.296 7.025 ( 4.680 -4.680 17.752) 18.946 8.858 ( -8.098 8.098 -3.506) 11.977 9.993 ( -12.101 12.101 5.992) 18.133 10.199 ( -2.382 2.382 10.797) 11.311 32.009 ( 0.356 -0.356 -1.890) 1.956 32.022 ( 0.997 -0.997 -1.920) 2.382 32.346 ( 0.604 -0.604 -0.835) 1.195 36.908 ( -0.691 0.691 -1.123) 1.488 36.937 ( 0.741 -0.741 0.412) 1.126 69.936 ( 0.283 -0.283 -1.095) 1.166 72.107 ( -0.189 0.189 -0.197) 0.332 72.108 ( -0.173 0.173 0.079) 0.258 72.843 ( 0.112 -0.112 0.976) 0.989 ======================= Grid point 23 (16/120) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 1.409 -1.409 3.974) 4.445 2.794 ( 7.240 -7.240 9.571) 14.015 4.613 ( 1.805 -1.805 2.343) 3.465 4.763 ( 4.702 -4.702 13.130) 14.718 4.972 ( 2.353 -2.353 3.417) 4.770 7.061 ( 7.846 -7.846 13.583) 17.539 8.920 ( -2.087 2.087 -5.794) 6.503 10.191 ( -2.442 2.442 -0.421) 3.479 10.203 ( 5.305 -5.305 -4.230) 8.613 31.999 ( -0.373 0.373 -0.836) 0.988 32.003 ( -0.807 0.807 -0.075) 1.144 32.336 ( -0.241 0.241 -0.133) 0.366 36.914 ( -0.699 0.699 -0.599) 1.156 36.928 ( 0.419 -0.419 0.203) 0.626 69.928 ( -0.376 0.376 -0.409) 0.671 72.107 ( -0.098 0.098 -0.383) 0.407 72.111 ( -0.025 0.025 0.018) 0.039 72.847 ( 0.412 -0.412 0.662) 0.881 ======================= Grid point 24 (17/120) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 6.222 -6.222 1.476) 8.922 2.678 ( 10.577 -10.577 5.900) 16.080 4.641 ( -1.091 1.091 3.812) 4.112 4.792 ( 2.828 -2.828 1.350) 4.222 4.945 ( 6.713 -6.713 14.932) 17.695 6.979 ( 11.239 -11.239 10.072) 18.816 8.827 ( 1.632 -1.632 -11.404) 11.635 9.872 ( 12.677 -12.677 -18.321) 25.633 10.089 ( 9.408 -9.408 -3.591) 13.780 32.020 ( -1.881 1.881 0.056) 2.660 32.042 ( -1.887 1.887 1.482) 3.052 32.353 ( -1.040 1.040 0.583) 1.582 36.923 ( 0.068 -0.068 0.028) 0.100 36.926 ( -0.658 0.658 -0.085) 0.935 69.943 ( -1.034 1.034 0.224) 1.479 72.103 ( -0.008 0.008 -0.533) 0.533 72.110 ( 0.132 -0.132 -0.037) 0.191 72.840 ( 0.702 -0.702 0.352) 1.054 ======================= Grid point 25 (18/120) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 10.359 -10.359 -0.248) 14.653 2.464 ( 13.405 -13.405 4.270) 19.433 4.602 ( 8.135 -8.135 -11.304) 16.129 4.738 ( -3.221 3.221 4.396) 6.330 5.045 ( 6.302 -6.302 25.465) 26.980 6.789 ( 14.390 -14.390 7.642) 21.738 8.603 ( 2.836 -2.836 -19.098) 19.515 9.242 ( 18.966 -18.966 -29.907) 40.172 9.704 ( 21.140 -21.140 -2.964) 30.043 32.081 ( -3.134 3.134 0.600) 4.473 32.116 ( -2.646 2.646 2.413) 4.453 32.394 ( -1.644 1.644 1.144) 2.591 36.925 ( -0.276 0.276 -0.081) 0.399 36.941 ( -0.583 0.583 0.349) 0.895 69.978 ( -1.579 1.579 0.698) 2.340 72.096 ( 0.068 -0.068 -0.618) 0.626 72.105 ( 0.271 -0.271 -0.076) 0.390 72.824 ( 0.936 -0.936 0.091) 1.327 ======================= Grid point 26 (19/120) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 15.887 -15.887 4.164) 22.850 2.185 ( 13.536 -13.536 -1.345) 19.190 4.186 ( 15.370 -15.370 -16.222) 27.122 4.871 ( -4.186 4.186 4.112) 7.207 5.196 ( 6.435 -6.435 26.271) 27.802 6.517 ( 16.825 -16.825 6.706) 24.721 8.267 ( 4.326 -4.326 -28.347) 29.000 8.382 ( 23.410 -23.410 -37.376) 49.930 9.126 ( 28.261 -28.261 2.415) 40.039 32.168 ( -3.839 3.839 0.759) 5.481 32.209 ( -2.970 2.970 2.587) 4.933 32.449 ( -1.962 1.962 1.410) 3.113 36.934 ( -0.569 0.569 -0.112) 0.813 36.959 ( -0.483 0.483 0.626) 0.927 70.027 ( -1.919 1.919 0.932) 2.870 72.087 ( 0.118 -0.118 -0.617) 0.639 72.096 ( 0.366 -0.366 -0.091) 0.525 72.801 ( 1.072 -1.072 -0.083) 1.519 ======================= Grid point 27 (20/120) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 16.127 -16.127 -2.189) 22.911 1.848 ( 18.263 -18.263 4.584) 26.232 3.551 ( 23.329 -23.329 -19.347) 38.246 5.008 ( -4.209 4.209 3.114) 6.718 5.332 ( 6.906 -6.906 24.303) 26.192 6.202 ( 18.060 -18.060 7.626) 26.655 7.400 ( 25.126 -25.126 -38.794) 52.607 7.706 ( 17.242 -17.242 -30.271) 38.870 8.612 ( 19.290 -19.290 4.766) 27.694 32.264 ( -3.889 3.889 0.602) 5.533 32.301 ( -2.867 2.867 2.100) 4.566 32.509 ( -1.973 1.973 1.309) 3.082 36.948 ( -0.759 0.759 -0.079) 1.076 36.976 ( -0.366 0.366 0.674) 0.849 70.082 ( -1.993 1.993 0.884) 2.954 72.077 ( 0.138 -0.138 -0.517) 0.553 72.087 ( 0.402 -0.402 -0.081) 0.574 72.775 ( 1.081 -1.081 -0.147) 1.536 ======================= Grid point 28 (21/120) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 18.575 -18.575 -2.707) 26.408 1.462 ( 20.608 -20.608 3.737) 29.383 2.732 ( 30.934 -30.934 -16.741) 46.841 5.122 ( -3.572 3.572 1.422) 5.248 5.418 ( 6.696 -6.696 17.517) 19.913 5.898 ( 17.629 -17.629 10.224) 26.946 6.450 ( 22.990 -22.990 -31.352) 45.167 6.884 ( 29.085 -29.085 -18.832) 45.239 8.358 ( 6.951 -6.951 0.022) 9.830 32.351 ( -3.356 3.356 0.277) 4.754 32.380 ( -2.418 2.418 1.166) 3.613 32.563 ( -1.712 1.712 0.832) 2.560 36.965 ( -0.799 0.799 -0.020) 1.130 36.989 ( -0.238 0.238 0.457) 0.568 70.133 ( -1.784 1.784 0.556) 2.583 72.070 ( 0.130 -0.130 -0.314) 0.364 72.077 ( 0.373 -0.373 -0.048) 0.530 72.751 ( 0.950 -0.950 -0.106) 1.348 ======================= Grid point 29 (22/120) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 20.611 -20.611 -0.000) 29.149 1.001 ( 22.247 -22.247 -0.000) 31.463 1.851 ( 37.386 -37.386 -0.000) 52.872 5.197 ( -2.585 2.585 0.000) 3.656 5.396 ( 4.850 -4.850 -0.000) 6.859 5.625 ( 14.703 -14.703 -0.000) 20.793 5.778 ( 16.659 -16.659 -0.000) 23.560 6.100 ( 28.814 -28.814 -0.000) 40.749 8.267 ( 1.566 -1.566 -0.000) 2.215 32.418 ( -2.408 2.408 0.000) 3.406 32.433 ( -1.729 1.729 0.000) 2.445 32.602 ( -1.243 1.243 0.000) 1.758 36.982 ( -0.669 0.669 0.000) 0.945 36.996 ( -0.118 0.118 0.000) 0.166 70.171 ( -1.323 1.323 0.000) 1.871 72.065 ( 0.102 -0.102 -0.000) 0.144 72.069 ( 0.286 -0.286 -0.000) 0.404 72.731 ( 0.692 -0.692 -0.000) 0.979 ======================= Grid point 32 (23/120) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -0.000 0.000 24.003) 24.003 1.275 ( -0.000 0.000 24.003) 24.003 2.597 ( -0.000 0.000 51.323) 51.323 5.144 ( 0.000 -0.000 -4.991) 4.991 5.144 ( 0.000 -0.000 -4.991) 4.991 6.392 ( -0.000 0.000 39.896) 39.896 6.392 ( -0.000 0.000 39.896) 39.896 6.650 ( -0.000 0.000 51.996) 51.996 8.078 ( 0.000 -0.000 -6.382) 6.382 32.365 ( 0.000 -0.000 -4.601) 4.601 32.365 ( 0.000 -0.000 -4.601) 4.601 32.593 ( 0.000 -0.000 -1.545) 1.545 36.944 ( 0.000 -0.000 -2.339) 2.339 37.024 ( -0.000 0.000 1.044) 1.044 70.142 ( 0.000 -0.000 -2.537) 2.537 72.068 ( -0.000 0.000 0.205) 0.205 72.068 ( -0.000 0.000 0.205) 0.205 72.754 ( -0.000 0.000 1.634) 1.634 ======================= Grid point 33 (24/120) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -3.131 3.131 21.194) 21.651 1.701 ( -12.154 12.154 22.434) 28.262 3.188 ( -5.278 5.278 41.820) 42.481 5.088 ( -0.371 0.371 -6.114) 6.137 5.240 ( -11.135 11.135 -3.830) 16.206 6.669 ( 11.623 -11.623 44.378) 47.325 6.736 ( 6.413 -6.413 36.041) 37.165 7.509 ( -16.909 16.909 52.916) 58.069 8.157 ( -10.570 10.570 -0.152) 14.949 32.300 ( 0.754 -0.754 -5.374) 5.479 32.306 ( 0.280 -0.280 -5.380) 5.395 32.563 ( 0.969 -0.969 -1.717) 2.197 36.917 ( -0.182 0.182 -2.705) 2.717 37.028 ( 0.660 -0.660 1.170) 1.497 70.105 ( 0.516 -0.516 -2.898) 2.988 72.072 ( -0.142 0.142 0.233) 0.307 72.073 ( -0.223 0.223 0.207) 0.377 72.775 ( -0.074 0.074 1.892) 1.895 ======================= Grid point 34 (25/120) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -4.571 4.571 18.498) 19.594 2.211 ( -9.490 9.490 22.504) 26.202 3.753 ( -9.692 9.692 28.328) 31.470 5.019 ( 0.163 -0.163 -6.653) 6.657 5.444 ( -3.761 3.761 6.154) 8.134 6.912 ( 10.891 -10.891 43.871) 46.496 7.014 ( -8.294 8.294 14.296) 18.492 8.476 ( -17.155 17.155 48.999) 54.676 8.508 ( -12.535 12.535 13.905) 22.530 32.214 ( 1.250 -1.250 -5.697) 5.965 32.233 ( 0.677 -0.677 -5.668) 5.748 32.514 ( 1.604 -1.604 -1.746) 2.862 36.893 ( -0.458 0.458 -2.812) 2.885 37.021 ( 1.112 -1.112 1.181) 1.967 70.056 ( 0.823 -0.823 -2.981) 3.200 72.079 ( -0.251 0.251 0.238) 0.427 72.081 ( -0.313 0.313 0.150) 0.467 72.799 ( -0.132 0.132 2.005) 2.014 ======================= Grid point 35 (26/120) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -4.863 4.863 16.152) 17.555 2.609 ( -4.019 4.019 21.735) 22.465 4.228 ( -10.415 10.415 15.052) 21.060 4.931 ( 1.182 -1.182 -6.265) 6.484 5.511 ( 9.618 -9.618 18.625) 23.063 7.153 ( 10.228 -10.228 40.914) 43.395 7.462 ( -25.553 25.553 -3.473) 36.304 8.977 ( -11.170 11.170 20.750) 26.079 9.330 ( -13.726 13.726 40.184) 44.627 32.122 ( 1.335 -1.335 -5.386) 5.707 32.152 ( 0.968 -0.968 -5.352) 5.524 32.456 ( 1.854 -1.854 -1.654) 3.100 36.876 ( -0.763 0.763 -2.668) 2.878 37.006 ( 1.345 -1.345 1.078) 2.186 70.005 ( 0.870 -0.870 -2.777) 3.038 72.088 ( -0.308 0.308 0.219) 0.488 72.089 ( -0.324 0.324 0.035) 0.460 72.824 ( -0.103 0.103 1.966) 1.971 ======================= Grid point 36 (27/120) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -4.128 4.128 13.783) 14.968 2.884 ( -0.140 0.140 19.369) 19.370 4.541 ( -8.129 8.129 3.894) 12.138 4.830 ( 2.077 -2.077 -4.988) 5.789 5.474 ( 15.280 -15.280 26.365) 34.089 7.358 ( 10.491 -10.491 36.612) 39.504 8.016 ( -28.132 28.132 -7.967) 40.574 9.440 ( -10.398 10.398 17.750) 23.050 9.960 ( -8.068 8.068 27.882) 30.126 32.040 ( 0.928 -0.928 -4.367) 4.560 32.074 ( 0.982 -0.982 -4.482) 4.692 32.398 ( 1.662 -1.662 -1.431) 2.752 36.868 ( -1.033 1.033 -2.323) 2.744 36.987 ( 1.376 -1.376 0.892) 2.141 69.958 ( 0.656 -0.656 -2.324) 2.503 72.096 ( -0.292 0.292 -0.130) 0.433 72.097 ( -0.304 0.304 0.177) 0.465 72.847 ( 0.034 -0.034 1.796) 1.797 ======================= Grid point 37 (28/120) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -2.311 2.311 11.030) 11.504 3.048 ( 3.299 -3.299 16.027) 16.693 4.695 ( -5.694 5.694 -2.962) 8.580 4.735 ( 2.298 -2.298 -2.905) 4.358 5.442 ( 16.000 -16.000 30.826) 38.239 7.494 ( 11.767 -11.767 31.829) 35.917 8.483 ( -20.103 20.103 -7.204) 29.329 9.822 ( -9.876 9.876 9.288) 16.774 10.297 ( -1.056 1.056 13.548) 13.631 31.988 ( 0.085 -0.085 -2.784) 2.786 32.012 ( 0.603 -0.603 -3.250) 3.361 32.353 ( 1.043 -1.043 -1.058) 1.815 36.870 ( -1.223 1.223 -1.839) 2.524 36.966 ( 1.238 -1.238 0.662) 1.872 69.925 ( 0.220 -0.220 -1.701) 1.730 72.099 ( -0.233 0.233 -0.317) 0.457 72.105 ( -0.238 0.238 0.120) 0.357 72.862 ( 0.263 -0.263 1.527) 1.571 ======================= Grid point 38 (29/120) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 0.688 -0.688 7.781) 7.842 3.092 ( 7.017 -7.017 12.516) 15.973 4.673 ( 1.464 -1.464 -0.206) 2.080 4.754 ( -4.164 4.164 -5.568) 8.104 5.448 ( 15.442 -15.442 33.173) 39.716 7.538 ( 13.862 -13.862 27.260) 33.577 8.724 ( -8.978 8.978 -8.531) 15.296 10.077 ( -7.134 7.134 1.441) 10.191 10.305 ( 6.505 -6.505 -1.287) 9.289 31.977 ( -0.998 0.998 -1.008) 1.734 31.978 ( -0.210 0.210 -1.954) 1.976 32.330 ( 0.139 -0.139 -0.540) 0.575 36.881 ( -1.310 1.310 -1.280) 2.252 36.947 ( 0.971 -0.971 0.429) 1.438 69.912 ( -0.363 0.363 -1.014) 1.137 72.099 ( -0.157 0.157 -0.487) 0.536 72.110 ( -0.122 0.122 0.059) 0.182 72.868 ( 0.546 -0.546 1.196) 1.424 ======================= Grid point 39 (30/120) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 4.577 -4.577 4.518) 7.893 3.020 ( 10.503 -10.503 9.930) 17.868 4.671 ( -0.251 0.251 2.422) 2.448 4.750 ( -1.487 1.487 -7.408) 7.701 5.498 ( 14.160 -14.160 35.362) 40.638 7.483 ( 16.445 -16.445 23.464) 33.037 8.696 ( -0.404 0.404 -14.566) 14.577 9.983 ( 13.819 -13.819 -15.011) 24.642 10.158 ( -0.116 0.116 -2.110) 2.117 31.979 ( -1.366 1.366 -0.879) 2.123 32.009 ( -2.053 2.053 0.495) 2.945 32.335 ( -0.816 0.816 0.041) 1.154 36.899 ( -1.296 1.296 -0.715) 1.967 36.933 ( 0.618 -0.618 0.232) 0.904 69.919 ( -0.995 0.995 -0.376) 1.457 72.095 ( -0.077 0.077 -0.599) 0.609 72.111 ( 0.023 -0.023 0.006) 0.034 72.864 ( 0.835 -0.835 0.846) 1.453 ======================= Grid point 40 (31/120) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 8.527 -8.527 2.084) 12.238 2.855 ( 13.310 -13.310 8.687) 20.731 4.631 ( 4.238 -4.238 -9.238) 11.012 4.735 ( -2.023 2.023 3.961) 4.886 5.608 ( 12.137 -12.137 36.490) 40.326 7.331 ( 19.113 -19.113 20.887) 34.160 8.439 ( 3.914 -3.914 -22.953) 23.611 9.368 ( 20.122 -20.122 -25.960) 38.519 10.026 ( 9.910 -9.910 -1.876) 14.139 32.018 ( -2.609 2.609 -0.190) 3.695 32.075 ( -2.846 2.846 1.366) 4.250 32.366 ( -1.603 1.603 0.527) 2.327 36.922 ( -1.190 1.190 -0.223) 1.697 36.925 ( 0.223 -0.223 0.098) 0.330 69.947 ( -1.571 1.571 0.107) 2.224 72.089 ( 0.000 -0.000 -0.619) 0.619 72.109 ( 0.173 -0.173 -0.031) 0.247 72.850 ( 1.081 -1.081 0.517) 1.614 ======================= Grid point 41 (32/120) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 11.961 -11.961 0.730) 16.932 2.624 ( 15.580 -15.580 7.971) 23.430 4.343 ( 11.754 -11.754 -10.385) 19.600 4.840 ( -3.204 3.204 3.931) 5.999 5.751 ( 11.276 -11.276 34.444) 37.957 7.103 ( 21.398 -21.398 19.784) 36.155 8.042 ( 4.888 -4.888 -28.789) 29.608 8.531 ( 24.684 -24.684 -32.273) 47.541 9.681 ( 19.640 -19.640 0.130) 27.776 32.088 ( -3.604 3.604 0.109) 5.098 32.161 ( -3.257 3.257 1.484) 4.840 32.415 ( -2.090 2.090 0.740) 3.047 36.925 ( -0.172 0.172 0.032) 0.245 36.946 ( -1.007 1.007 0.107) 1.428 69.990 ( -1.992 1.992 0.353) 2.839 72.082 ( 0.065 -0.065 -0.526) 0.534 72.103 ( 0.300 -0.300 -0.044) 0.427 72.828 ( 1.238 -1.238 0.249) 1.769 ======================= Grid point 42 (33/120) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 14.893 -14.893 0.063) 21.062 2.332 ( 17.613 -17.613 5.888) 25.594 3.877 ( 19.807 -19.807 -8.914) 29.395 4.955 ( -3.699 3.699 2.451) 5.777 5.836 ( 11.491 -11.491 24.149) 29.108 6.826 ( 22.716 -22.716 19.292) 37.472 7.587 ( 26.760 -26.760 -30.800) 48.793 7.615 ( 6.124 -6.124 -23.763) 25.292 9.181 ( 24.814 -24.814 1.555) 35.127 32.177 ( -4.090 4.090 0.125) 5.785 32.249 ( -3.278 3.278 0.956) 4.734 32.472 ( -2.244 2.244 0.568) 3.224 36.933 ( -0.512 0.512 0.011) 0.724 36.968 ( -0.766 0.766 0.195) 1.101 70.041 ( -2.185 2.185 0.318) 3.106 72.075 ( 0.110 -0.110 -0.313) 0.350 72.095 ( 0.384 -0.384 -0.033) 0.544 72.802 ( 1.274 -1.274 0.069) 1.802 ======================= Grid point 43 (34/120) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 17.403 -17.403 -0.000) 24.611 1.952 ( 19.677 -19.677 -0.000) 27.828 3.293 ( 26.771 -26.771 -0.000) 37.859 5.053 ( -3.657 3.657 0.000) 5.172 5.733 ( 10.215 -10.215 -0.000) 14.446 6.478 ( 22.039 -22.039 -0.000) 31.168 6.760 ( 25.882 -25.882 -0.000) 36.603 7.252 ( 14.873 -14.873 -0.000) 21.034 8.667 ( 20.030 -20.030 -0.000) 28.327 32.269 ( -3.981 3.981 0.000) 5.630 32.325 ( -2.972 2.972 0.000) 4.203 32.525 ( -2.096 2.096 0.000) 2.964 36.948 ( -0.738 0.738 0.000) 1.044 36.984 ( -0.497 0.497 0.000) 0.703 70.092 ( -2.112 2.112 0.000) 2.987 72.071 ( 0.132 -0.132 -0.000) 0.187 72.086 ( 0.410 -0.410 -0.000) 0.579 72.774 ( 1.174 -1.174 -0.000) 1.661 ======================= Grid point 48 (35/120) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -0.000 0.000 20.661) 20.661 1.772 ( -0.000 0.000 20.661) 20.661 3.604 ( -0.000 0.000 37.499) 37.499 5.008 ( 0.000 -0.000 -7.172) 7.172 5.008 ( 0.000 -0.000 -7.172) 7.172 7.369 ( -0.000 0.000 45.774) 45.774 7.369 ( -0.000 0.000 45.774) 45.774 7.888 ( -0.000 0.000 56.694) 56.694 7.955 ( 0.000 -0.000 -3.660) 3.660 32.244 ( 0.000 -0.000 -6.088) 6.088 32.244 ( 0.000 -0.000 -6.088) 6.088 32.554 ( 0.000 -0.000 -1.913) 1.913 36.882 ( 0.000 -0.000 -3.126) 3.126 37.050 ( -0.000 0.000 1.255) 1.255 70.076 ( 0.000 -0.000 -3.261) 3.261 72.073 ( -0.000 0.000 0.260) 0.260 72.073 ( -0.000 0.000 0.260) 0.260 72.797 ( -0.000 0.000 2.107) 2.107 ======================= Grid point 49 (36/120) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -2.002 2.002 19.271) 19.478 2.165 ( -12.738 12.738 19.287) 26.392 3.966 ( -0.448 0.448 26.292) 26.300 4.928 ( -0.509 0.509 -8.105) 8.137 5.126 ( -16.315 16.315 -6.162) 23.881 7.446 ( 18.904 -18.904 23.741) 35.754 7.709 ( 12.304 -12.304 46.985) 50.104 8.345 ( -17.839 17.839 20.112) 32.264 8.694 ( -12.872 12.872 51.576) 54.694 32.167 ( 0.560 -0.560 -6.367) 6.416 32.172 ( 0.103 -0.103 -6.403) 6.405 32.522 ( 0.868 -0.868 -1.910) 2.270 36.849 ( -0.339 0.339 -3.272) 3.307 37.056 ( 0.686 -0.686 1.260) 1.590 70.034 ( 0.376 -0.376 -3.346) 3.388 72.077 ( -0.131 0.131 0.265) 0.323 72.078 ( -0.156 0.156 0.227) 0.317 72.821 ( -0.034 0.034 2.199) 2.199 ======================= Grid point 50 (37/120) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -2.982 2.982 17.707) 18.202 2.658 ( -11.034 11.034 17.824) 23.689 4.234 ( -3.686 3.686 13.746) 14.701 4.848 ( -0.669 0.669 -8.557) 8.609 5.520 ( -19.724 19.724 0.291) 27.896 7.331 ( 8.826 -8.826 15.406) 19.828 7.930 ( 13.996 -13.996 45.592) 49.703 8.950 ( -12.937 12.937 23.939) 30.130 9.507 ( -11.567 11.567 42.189) 45.250 32.081 ( 0.761 -0.761 -6.038) 6.133 32.098 ( 0.163 -0.163 -6.183) 6.187 32.475 ( 1.469 -1.469 -1.749) 2.716 36.825 ( -0.760 0.760 -3.145) 3.323 37.048 ( 1.201 -1.201 1.177) 2.066 69.987 ( 0.539 -0.539 -3.141) 3.232 72.084 ( -0.210 0.210 0.112) 0.317 72.084 ( -0.228 0.228 0.245) 0.404 72.847 ( -0.022 0.022 2.159) 2.159 ======================= Grid point 51 (38/120) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -2.877 2.877 15.858) 16.371 3.028 ( -5.091 5.091 16.044) 17.585 4.427 ( -5.014 5.014 2.617) 7.558 4.768 ( -0.600 0.600 -8.189) 8.233 5.919 ( -6.258 6.258 15.426) 17.785 7.461 ( -10.720 10.720 5.332) 16.071 8.102 ( 14.776 -14.776 42.404) 47.273 9.436 ( -8.636 8.636 19.242) 22.791 10.120 ( -6.601 6.601 29.815) 31.242 32.004 ( 0.500 -0.500 -5.030) 5.079 32.029 ( 0.111 -0.111 -5.380) 5.382 32.420 ( 1.701 -1.701 -1.483) 2.825 36.814 ( -1.174 1.174 -2.790) 3.247 37.030 ( 1.490 -1.490 1.008) 2.336 69.942 ( 0.463 -0.463 -2.685) 2.764 72.089 ( -0.201 0.201 -0.057) 0.290 72.092 ( -0.274 0.274 0.203) 0.438 72.870 ( 0.075 -0.075 1.989) 1.992 ======================= Grid point 52 (39/120) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -1.678 1.678 13.384) 13.593 3.255 ( -0.265 0.265 14.194) 14.198 4.521 ( -5.085 5.085 -5.211) 8.880 4.697 ( -0.633 0.633 -6.748) 6.807 6.129 ( 9.300 -9.300 29.788) 32.563 7.881 ( -23.458 23.458 -3.758) 33.387 8.213 ( 15.853 -15.853 38.346) 44.419 9.765 ( -5.699 5.699 11.121) 13.734 10.451 ( 0.056 -0.056 15.627) 15.627 31.951 ( -0.194 0.194 -3.485) 3.496 31.976 ( -0.102 0.102 -4.125) 4.127 32.369 ( 1.466 -1.466 -1.139) 2.365 36.815 ( -1.509 1.509 -2.272) 3.117 37.006 ( 1.553 -1.553 0.781) 2.331 69.908 ( 0.165 -0.165 -2.058) 2.071 72.091 ( -0.162 0.162 -0.241) 0.332 72.101 ( -0.262 0.262 0.147) 0.399 72.887 ( 0.264 -0.264 1.712) 1.752 ======================= Grid point 53 (40/120) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 0.547 -0.547 10.027) 10.057 3.358 ( 4.203 -4.203 12.042) 13.429 4.559 ( -5.590 5.590 -8.467) 11.584 4.653 ( -1.078 1.078 -4.182) 4.451 6.214 ( 15.280 -15.280 36.137) 42.105 8.247 ( 17.377 -17.377 34.112) 42.042 8.310 ( -18.810 18.810 -8.664) 27.977 9.957 ( -4.907 4.907 2.995) 7.558 10.461 ( 7.398 -7.398 1.128) 10.523 31.937 ( -1.153 1.153 -1.767) 2.405 31.944 ( -0.502 0.502 -2.699) 2.791 32.333 ( 0.760 -0.760 -0.733) 1.301 36.830 ( -1.719 1.719 -1.661) 2.944 36.979 ( 1.417 -1.417 0.539) 2.075 69.891 ( -0.302 0.302 -1.366) 1.431 72.091 ( -0.111 0.111 -0.394) 0.424 72.107 ( -0.194 0.194 0.087) 0.288 72.895 ( 0.521 -0.521 1.360) 1.547 ======================= Grid point 54 (41/120) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 3.500 -3.500 6.155) 7.898 3.339 ( 8.136 -8.136 9.486) 14.913 4.586 ( -4.997 4.997 -8.421) 10.993 4.656 ( -1.935 1.935 -1.097) 2.949 6.273 ( 16.321 -16.321 38.142) 44.583 8.197 ( 19.221 -19.221 30.227) 40.652 8.463 ( -6.222 6.222 -15.097) 17.474 10.072 ( -4.621 4.621 -1.294) 6.662 10.151 ( 14.577 -14.577 -11.955) 23.830 31.939 ( -1.128 1.128 -1.436) 2.146 31.963 ( -2.129 2.129 -0.330) 3.029 32.321 ( -0.244 0.244 -0.298) 0.456 36.854 ( -1.783 1.783 -1.035) 2.726 36.956 ( 1.126 -1.126 0.321) 1.624 69.892 ( -0.858 0.858 -0.721) 1.411 72.088 ( -0.057 0.057 -0.470) 0.477 72.111 ( -0.081 0.081 0.035) 0.120 72.893 ( 0.805 -0.805 0.969) 1.495 ======================= Grid point 55 (42/120) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 6.627 -6.627 2.870) 9.802 3.216 ( 10.886 -10.886 7.059) 16.936 4.574 ( -1.166 1.166 -7.085) 7.274 4.712 ( -2.813 2.813 1.144) 4.139 6.343 ( 15.113 -15.113 37.025) 42.751 8.065 ( 21.097 -21.097 26.835) 40.128 8.269 ( 3.497 -3.497 -22.627) 23.161 9.560 ( 20.840 -20.840 -21.551) 36.511 10.115 ( 0.210 -0.210 -1.459) 1.489 31.962 ( -1.988 1.988 -0.563) 2.868 32.021 ( -2.901 2.901 0.480) 4.130 32.337 ( -1.232 1.232 0.070) 1.744 36.885 ( -1.702 1.702 -0.485) 2.455 36.937 ( 0.731 -0.731 0.157) 1.046 69.912 ( -1.409 1.409 -0.229) 2.006 72.083 ( -0.005 0.005 -0.435) 0.435 72.111 ( 0.056 -0.056 -0.000) 0.080 72.881 ( 1.064 -1.064 0.581) 1.613 ======================= Grid point 56 (43/120) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 9.569 -9.569 0.891) 13.562 3.014 ( 12.881 -12.881 4.374) 18.734 4.459 ( 5.760 -5.760 -4.753) 9.431 4.799 ( -3.380 3.380 1.521) 5.016 6.401 ( 13.584 -13.584 28.189) 34.113 7.853 ( 22.514 -22.514 22.212) 38.822 7.876 ( 6.825 -6.825 -22.470) 24.455 8.773 ( 25.570 -25.570 -23.756) 43.266 10.002 ( 9.272 -9.272 -0.416) 13.120 32.014 ( -2.946 2.946 -0.117) 4.167 32.098 ( -3.349 3.349 0.552) 4.768 32.375 ( -1.940 1.940 0.211) 2.752 36.918 ( -1.485 1.485 -0.111) 2.104 36.927 ( 0.287 -0.287 0.054) 0.409 69.948 ( -1.862 1.862 0.028) 2.634 72.079 ( 0.042 -0.042 -0.272) 0.279 72.108 ( 0.195 -0.195 -0.012) 0.276 72.859 ( 1.251 -1.251 0.240) 1.785 ======================= Grid point 57 (44/120) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 12.346 -12.346 -0.000) 17.460 2.730 ( 14.964 -14.964 -0.000) 21.163 4.211 ( 13.658 -13.658 -0.000) 19.315 4.887 ( -3.614 3.614 0.000) 5.111 6.277 ( 13.326 -13.326 -0.000) 18.846 7.502 ( 22.945 -22.945 -0.000) 32.450 7.586 ( 5.513 -5.513 -0.000) 7.796 7.990 ( 28.064 -28.064 -0.000) 39.689 9.685 ( 18.726 -18.726 -0.000) 26.482 32.089 ( -3.729 3.729 0.000) 5.273 32.178 ( -3.459 3.459 0.000) 4.892 32.424 ( -2.267 2.267 0.000) 3.207 36.926 ( -0.149 0.149 0.000) 0.210 36.947 ( -1.160 1.160 0.000) 1.640 69.994 ( -2.137 2.137 0.000) 3.023 72.076 ( 0.082 -0.082 -0.000) 0.116 72.103 ( 0.311 -0.311 -0.000) 0.440 72.832 ( 1.327 -1.327 -0.000) 1.877 ======================= Grid point 64 (45/120) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -0.000 0.000 18.830) 18.830 2.212 ( -0.000 0.000 18.830) 18.830 4.232 ( -0.000 0.000 18.112) 18.112 4.825 ( 0.000 -0.000 -9.082) 9.082 4.825 ( 0.000 -0.000 -9.082) 9.082 7.958 ( -0.000 0.000 4.528) 4.528 8.379 ( -0.000 0.000 43.264) 43.264 8.379 ( -0.000 0.000 43.264) 43.264 9.118 ( -0.000 0.000 51.946) 51.946 32.099 ( 0.000 -0.000 -6.623) 6.623 32.099 ( 0.000 -0.000 -6.623) 6.623 32.510 ( 0.000 -0.000 -1.930) 1.930 36.807 ( 0.000 -0.000 -3.438) 3.438 37.078 ( -0.000 0.000 1.220) 1.220 70.000 ( 0.000 -0.000 -3.429) 3.429 72.079 ( -0.000 0.000 0.269) 0.269 72.079 ( -0.000 0.000 0.269) 0.269 72.846 ( -0.000 0.000 2.222) 2.222 ======================= Grid point 65 (46/120) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -1.441 1.441 17.876) 17.992 2.574 ( -11.918 11.918 17.338) 24.180 4.340 ( 1.594 -1.594 7.657) 7.982 4.727 ( -0.715 0.715 -9.756) 9.808 4.965 ( -19.593 19.593 -8.312) 28.929 7.842 ( 14.191 -14.191 15.258) 25.211 8.714 ( 10.410 -10.410 41.669) 44.193 8.987 ( -10.254 10.254 32.381) 35.480 9.769 ( -7.292 7.292 43.547) 44.751 32.023 ( 0.267 -0.267 -6.297) 6.309 32.027 ( -0.101 0.101 -6.359) 6.360 32.480 ( 0.771 -0.771 -1.770) 2.079 36.774 ( -0.486 0.486 -3.305) 3.376 37.083 ( 0.701 -0.701 1.120) 1.496 69.960 ( 0.232 -0.232 -3.218) 3.235 72.083 ( -0.072 0.072 0.212) 0.235 72.083 ( -0.119 0.119 0.249) 0.300 72.870 ( -0.007 0.007 2.124) 2.124 ======================= Grid point 66 (47/120) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -1.980 1.980 16.447) 16.683 3.020 ( -10.341 10.341 14.630) 20.686 4.379 ( -0.920 0.920 0.216) 1.318 4.640 ( -1.390 1.390 -9.863) 10.057 5.457 ( -30.390 30.390 -5.299) 43.303 7.729 ( 12.830 -12.830 19.428) 26.584 8.895 ( 13.588 -13.588 39.441) 43.873 9.494 ( -6.939 6.939 23.008) 25.014 10.333 ( -4.689 4.689 31.149) 31.847 31.952 ( 0.127 -0.127 -5.321) 5.324 31.964 ( -0.316 0.316 -5.566) 5.584 32.438 ( 1.321 -1.321 -1.484) 2.386 36.756 ( -1.018 1.018 -2.920) 3.256 37.073 ( 1.253 -1.253 0.963) 2.017 69.920 ( 0.272 -0.272 -2.754) 2.781 72.086 ( -0.071 0.071 0.079) 0.127 72.089 ( -0.205 0.205 0.209) 0.357 72.893 ( 0.042 -0.042 1.914) 1.914 ======================= Grid point 67 (48/120) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -1.342 1.342 14.221) 14.347 3.344 ( -5.222 5.222 12.501) 14.520 4.375 ( -1.845 1.845 -6.230) 6.754 4.573 ( -2.128 2.128 -8.965) 9.457 6.136 ( -28.295 28.295 4.363) 40.253 7.718 ( 5.428 -5.428 15.906) 17.662 8.994 ( 15.318 -15.318 36.072) 42.077 9.807 ( -2.921 2.921 13.403) 14.025 10.648 ( 1.150 -1.150 17.218) 17.294 31.903 ( -0.417 0.417 -3.830) 3.875 31.919 ( -0.610 0.610 -4.328) 4.413 32.391 ( 1.529 -1.529 -1.127) 2.439 36.755 ( -1.499 1.499 -2.352) 3.166 37.050 ( 1.581 -1.581 0.754) 2.359 69.888 ( 0.115 -0.115 -2.117) 2.123 72.087 ( -0.038 0.038 -0.081) 0.097 72.097 ( -0.243 0.243 0.154) 0.377 72.910 ( 0.173 -0.173 1.604) 1.623 ======================= Grid point 68 (49/120) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 0.444 -0.444 10.759) 10.777 3.540 ( -0.107 0.107 11.631) 11.632 4.341 ( -3.931 3.931 -10.004) 11.445 4.542 ( -3.038 3.038 -6.650) 7.918 6.711 ( -8.819 8.819 20.465) 23.966 7.858 ( -8.892 8.892 1.704) 12.690 9.016 ( 16.836 -16.836 32.025) 39.906 9.939 ( -0.530 0.530 4.680) 4.740 10.660 ( 8.098 -8.098 3.368) 11.937 31.888 ( -1.226 1.226 -2.178) 2.783 31.896 ( -0.926 0.926 -2.874) 3.159 32.348 ( 1.278 -1.278 -0.745) 1.954 36.770 ( -1.855 1.855 -1.681) 3.116 37.020 ( 1.663 -1.663 0.521) 2.409 69.869 ( -0.211 0.211 -1.415) 1.446 72.086 ( -0.004 0.004 -0.211) 0.211 72.103 ( -0.229 0.229 0.096) 0.338 72.920 ( 0.386 -0.386 1.221) 1.337 ======================= Grid point 69 (50/120) ======================= q-point: (-0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 2.866 -2.866 6.326) 7.513 3.596 ( 5.597 -5.597 8.993) 11.981 4.353 ( -6.755 6.755 -8.946) 13.088 4.564 ( -3.874 3.874 -3.320) 6.406 6.983 ( 9.065 -9.065 31.042) 33.586 8.073 ( -12.973 12.973 -12.944) 22.454 8.955 ( 18.279 -18.279 27.291) 37.590 9.978 ( -1.917 1.917 -0.404) 2.741 10.369 ( 15.063 -15.063 -8.203) 22.827 31.896 ( -1.234 1.234 -1.518) 2.313 31.908 ( -2.077 2.077 -0.805) 3.046 32.320 ( 0.546 -0.546 -0.380) 0.861 36.799 ( -2.042 2.042 -0.996) 3.054 36.989 ( 1.520 -1.520 0.299) 2.170 69.866 ( -0.649 0.649 -0.761) 1.192 72.083 ( 0.018 -0.018 -0.260) 0.261 72.109 ( -0.164 0.164 0.045) 0.236 72.920 ( 0.648 -0.648 0.796) 1.214 ======================= Grid point 70 (51/120) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 5.228 -5.228 2.370) 7.764 3.502 ( 9.033 -9.033 4.337) 13.491 4.427 ( -5.891 5.891 -4.500) 9.469 4.634 ( -4.170 4.170 -0.636) 5.932 7.043 ( 14.204 -14.204 26.392) 33.167 8.069 ( -2.123 2.123 -17.308) 17.566 8.801 ( 19.470 -19.470 19.898) 33.972 9.830 ( 21.233 -21.233 -13.334) 32.855 10.043 ( -4.161 4.161 -0.884) 5.950 31.916 ( -1.612 1.612 -0.526) 2.339 31.959 ( -2.772 2.772 -0.046) 3.920 32.317 ( -0.465 0.465 -0.095) 0.665 36.837 ( -2.038 2.038 -0.399) 2.910 36.961 ( 1.199 -1.199 0.119) 1.700 69.881 ( -1.124 1.124 -0.261) 1.611 72.080 ( 0.028 -0.028 -0.191) 0.195 72.111 ( -0.059 0.059 0.011) 0.084 72.909 ( 0.915 -0.915 0.371) 1.345 ======================= Grid point 71 (52/120) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 7.364 -7.364 -0.000) 10.414 3.302 ( 10.836 -10.836 -0.000) 15.324 4.485 ( -1.022 1.022 0.000) 1.446 4.724 ( -3.887 3.887 0.000) 5.497 6.891 ( 14.229 -14.229 -0.000) 20.123 7.889 ( 6.062 -6.062 -0.000) 8.572 8.484 ( 20.562 -20.562 -0.000) 29.079 9.202 ( 25.423 -25.423 -0.000) 35.954 10.098 ( 0.021 -0.021 -0.000) 0.029 31.956 ( -2.194 2.194 0.000) 3.103 32.027 ( -3.200 3.200 0.000) 4.526 32.338 ( -1.386 1.386 0.000) 1.960 36.879 ( -1.846 1.846 0.000) 2.610 36.939 ( 0.765 -0.765 -0.000) 1.082 69.910 ( -1.554 1.554 0.000) 2.198 72.078 ( 0.033 -0.033 -0.000) 0.047 72.111 ( 0.068 -0.068 -0.000) 0.096 72.888 ( 1.131 -1.131 -0.000) 1.600 ======================= Grid point 80 (53/120) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -0.000 0.000 17.272) 17.272 2.617 ( -0.000 0.000 17.272) 17.272 4.434 ( -0.000 0.000 1.270) 1.270 4.605 ( 0.000 -0.000 -10.435) 10.435 4.605 ( 0.000 -0.000 -10.435) 10.435 8.149 ( -0.000 0.000 11.543) 11.543 9.262 ( -0.000 0.000 34.858) 34.858 9.262 ( -0.000 0.000 34.858) 34.858 10.169 ( -0.000 0.000 41.085) 41.085 31.956 ( 0.000 -0.000 -5.999) 5.999 31.956 ( 0.000 -0.000 -5.999) 5.999 32.470 ( 0.000 -0.000 -1.627) 1.627 36.732 ( 0.000 -0.000 -3.144) 3.144 37.103 ( -0.000 0.000 0.989) 0.989 69.927 ( 0.000 -0.000 -3.001) 3.001 72.084 ( -0.000 0.000 0.231) 0.231 72.084 ( -0.000 0.000 0.231) 0.231 72.893 ( -0.000 0.000 1.951) 1.951 ======================= Grid point 81 (54/120) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -1.041 1.041 15.986) 16.054 2.939 ( -10.246 10.246 15.062) 20.900 4.372 ( 1.364 -1.364 -3.004) 3.571 4.497 ( -0.964 0.964 -10.560) 10.648 4.756 ( -21.072 21.072 -10.025) 31.441 8.185 ( 8.353 -8.353 14.742) 18.892 9.534 ( 7.426 -7.426 30.855) 32.594 9.658 ( -2.955 2.955 26.029) 26.363 10.612 ( -1.646 1.646 31.180) 31.267 31.893 ( -0.072 0.072 -5.072) 5.073 31.896 ( -0.309 0.309 -5.142) 5.161 32.445 ( 0.698 -0.698 -1.347) 1.670 36.706 ( -0.598 0.598 -2.711) 2.840 37.105 ( 0.711 -0.711 0.819) 1.297 69.894 ( 0.108 -0.108 -2.527) 2.532 72.087 ( 0.007 -0.007 0.161) 0.162 72.088 ( -0.107 0.107 0.192) 0.245 72.914 ( 0.010 -0.010 1.675) 1.675 ======================= Grid point 82 (55/120) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( -1.113 1.113 13.705) 13.795 3.311 ( -8.945 8.945 11.174) 16.879 4.301 ( 1.048 -1.048 -5.815) 6.001 4.417 ( -2.145 2.145 -9.684) 10.148 5.324 ( -36.657 36.657 -5.716) 52.155 8.140 ( 10.694 -10.694 15.841) 21.901 9.651 ( 10.827 -10.827 27.183) 31.199 9.933 ( -0.472 0.472 15.537) 15.551 10.888 ( 2.428 -2.428 18.243) 18.564 31.850 ( -0.493 0.493 -3.643) 3.709 31.857 ( -0.717 0.717 -3.877) 4.007 32.410 ( 1.209 -1.209 -0.989) 1.976 36.699 ( -1.198 1.198 -2.084) 2.686 37.091 ( 1.283 -1.283 0.619) 1.918 69.867 ( 0.067 -0.067 -1.879) 1.882 72.087 ( 0.053 -0.053 0.046) 0.088 72.093 ( -0.186 0.186 0.139) 0.297 72.930 ( 0.075 -0.075 1.314) 1.318 ======================= Grid point 83 (56/120) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 0.130 -0.130 9.789) 9.791 3.593 ( -6.122 6.122 9.636) 12.954 4.195 ( 0.848 -0.848 -8.671) 8.754 4.386 ( -3.625 3.625 -7.101) 8.758 6.174 ( -39.579 39.579 0.166) 55.974 8.060 ( 10.710 -10.710 12.409) 19.581 9.663 ( 12.888 -12.888 22.365) 28.852 10.028 ( 2.533 -2.533 6.386) 7.323 10.899 ( 8.584 -8.584 5.769) 13.441 31.836 ( -1.149 1.149 -2.053) 2.619 31.842 ( -1.110 1.110 -2.411) 2.877 32.371 ( 1.408 -1.408 -0.608) 2.082 36.712 ( -1.700 1.700 -1.355) 2.760 37.063 ( 1.629 -1.629 0.399) 2.339 69.851 ( -0.117 0.117 -1.166) 1.178 72.086 ( 0.092 -0.092 -0.054) 0.141 72.099 ( -0.222 0.222 0.082) 0.324 72.939 ( 0.219 -0.219 0.893) 0.945 ======================= Grid point 84 (57/120) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 2.150 -2.150 4.507) 5.437 3.780 ( 0.752 -0.752 9.068) 9.130 4.111 ( -4.378 4.378 -9.219) 11.106 4.425 ( -4.895 4.895 -3.113) 7.590 7.006 ( -29.702 29.702 6.095) 42.445 7.925 ( 9.190 -9.190 2.734) 13.281 9.569 ( 14.505 -14.505 14.847) 25.323 9.995 ( 2.949 -2.949 0.864) 4.259 10.646 ( 14.946 -14.946 -2.568) 21.292 31.851 ( -1.377 1.377 -1.028) 2.203 31.855 ( -1.849 1.849 -0.731) 2.716 32.336 ( 1.167 -1.167 -0.260) 1.671 36.744 ( -2.034 2.034 -0.623) 2.944 37.028 ( 1.714 -1.714 0.182) 2.431 69.847 ( -0.413 0.413 -0.504) 0.772 72.083 ( 0.098 -0.098 -0.082) 0.162 72.105 ( -0.210 0.210 0.033) 0.299 72.939 ( 0.434 -0.434 0.442) 0.756 ======================= Grid point 85 (58/120) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 3.902 -3.902 -0.000) 5.519 3.716 ( 7.542 -7.542 -0.000) 10.666 4.230 ( -8.707 8.707 0.000) 12.314 4.523 ( -5.077 5.077 0.000) 7.180 7.463 ( 2.529 -2.529 -0.000) 3.576 7.805 ( -6.518 6.518 0.000) 9.218 9.317 ( 16.373 -16.373 -0.000) 23.155 9.969 ( -1.066 1.066 0.000) 1.508 10.223 ( 19.825 -19.825 -0.000) 28.037 31.878 ( -1.490 1.490 0.000) 2.107 31.900 ( -2.420 2.420 0.000) 3.422 32.316 ( 0.467 -0.467 -0.000) 0.661 36.788 ( -2.153 2.153 0.000) 3.045 36.992 ( 1.552 -1.552 -0.000) 2.195 69.858 ( -0.770 0.770 0.000) 1.089 72.080 ( 0.071 -0.071 -0.000) 0.101 72.109 ( -0.153 0.153 0.000) 0.216 72.929 ( 0.684 -0.684 -0.000) 0.968 ======================= Grid point 96 (59/120) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -0.000 0.000 14.484) 14.484 2.977 ( -0.000 0.000 14.484) 14.484 4.368 ( 0.000 -0.000 -10.358) 10.358 4.368 ( 0.000 -0.000 -10.358) 10.358 4.369 ( 0.000 -0.000 -5.195) 5.195 8.414 ( -0.000 0.000 10.841) 10.841 9.910 ( -0.000 0.000 22.491) 22.491 9.910 ( -0.000 0.000 22.491) 22.491 10.929 ( -0.000 0.000 26.220) 26.220 31.840 ( 0.000 -0.000 -4.204) 4.204 31.840 ( 0.000 -0.000 -4.204) 4.204 32.439 ( 0.000 -0.000 -1.078) 1.078 36.671 ( 0.000 -0.000 -2.219) 2.219 37.121 ( -0.000 0.000 0.634) 0.634 69.870 ( 0.000 -0.000 -2.045) 2.045 72.089 ( -0.000 0.000 0.155) 0.155 72.089 ( -0.000 0.000 0.155) 0.155 72.931 ( -0.000 0.000 1.333) 1.333 ======================= Grid point 97 (60/120) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( -0.677 0.677 11.521) 11.561 3.231 ( -8.014 8.014 10.338) 15.340 4.273 ( -1.265 1.265 -8.778) 8.958 4.273 ( 1.135 -1.135 -4.644) 4.914 4.547 ( -23.155 23.155 -7.720) 33.644 8.461 ( 5.264 -5.264 9.069) 11.733 10.068 ( 4.779 -4.779 16.383) 17.723 10.112 ( 0.934 -0.934 14.018) 14.080 11.146 ( 2.638 -2.638 16.197) 16.621 31.803 ( -0.352 0.352 -2.835) 2.878 31.805 ( -0.469 0.469 -2.883) 2.959 32.421 ( 0.653 -0.653 -0.725) 1.173 36.657 ( -0.666 0.666 -1.534) 1.800 37.119 ( 0.716 -0.716 0.428) 1.100 69.850 ( 0.025 -0.025 -1.388) 1.389 72.090 ( 0.063 -0.063 0.087) 0.124 72.091 ( -0.099 0.099 0.104) 0.175 72.943 ( 0.019 -0.019 0.922) 0.922 ======================= Grid point 98 (61/120) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -0.291 0.291 6.373) 6.386 3.501 ( -8.456 8.456 4.987) 12.957 4.178 ( 3.030 -3.030 -3.834) 5.750 4.240 ( -2.928 2.928 -5.015) 6.503 5.230 ( -40.282 40.282 -2.295) 57.013 8.391 ( 8.467 -8.467 5.953) 13.373 10.074 ( 7.823 -7.823 9.871) 14.826 10.170 ( 3.481 -3.481 5.409) 7.314 11.154 ( 7.649 -7.649 5.779) 12.264 31.794 ( -0.884 0.884 -1.294) 1.799 31.797 ( -0.950 0.950 -1.391) 1.934 32.395 ( 1.151 -1.151 -0.346) 1.664 36.667 ( -1.287 1.287 -0.758) 1.972 37.100 ( 1.297 -1.297 0.212) 1.847 69.838 ( -0.044 0.044 -0.667) 0.670 72.088 ( 0.124 -0.124 0.015) 0.177 72.095 ( -0.175 0.175 0.049) 0.252 72.950 ( 0.089 -0.089 0.468) 0.484 ======================= Grid point 99 (62/120) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( 1.003 -1.003 -0.000) 1.419 3.729 ( -8.829 8.829 0.000) 12.486 4.066 ( 4.136 -4.136 -0.000) 5.849 4.296 ( -4.510 4.510 0.000) 6.378 6.173 ( -42.534 42.534 0.000) 60.152 8.207 ( 11.100 -11.100 -0.000) 15.697 9.928 ( 10.663 -10.663 -0.000) 15.079 10.098 ( 4.852 -4.852 -0.000) 6.861 10.952 ( 12.491 -12.491 -0.000) 17.664 31.813 ( -1.431 1.431 0.000) 2.024 31.815 ( -1.292 1.292 0.000) 1.826 32.364 ( 1.365 -1.365 -0.000) 1.931 36.697 ( -1.768 1.768 0.000) 2.500 37.068 ( 1.645 -1.645 -0.000) 2.326 69.837 ( -0.198 0.198 0.000) 0.281 72.085 ( 0.141 -0.141 -0.000) 0.199 72.100 ( -0.214 0.214 0.000) 0.303 72.949 ( 0.232 -0.232 -0.000) 0.328 ======================= Grid point 113 (63/120) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -0.000 0.000 6.939) 6.939 3.231 ( -0.000 0.000 6.939) 6.939 4.175 ( 0.000 -0.000 -5.553) 5.553 4.175 ( 0.000 -0.000 -5.553) 5.553 4.268 ( 0.000 -0.000 -2.803) 2.803 8.590 ( -0.000 0.000 4.234) 4.234 10.252 ( -0.000 0.000 7.762) 7.762 10.252 ( -0.000 0.000 7.762) 7.762 11.326 ( -0.000 0.000 9.002) 9.002 31.774 ( 0.000 -0.000 -1.514) 1.514 31.774 ( 0.000 -0.000 -1.514) 1.514 32.423 ( 0.000 -0.000 -0.376) 0.376 36.637 ( 0.000 -0.000 -0.802) 0.802 37.131 ( -0.000 0.000 0.217) 0.217 69.838 ( 0.000 -0.000 -0.725) 0.725 72.091 ( -0.000 0.000 0.054) 0.054 72.091 ( -0.000 0.000 0.054) 0.054 72.951 ( -0.000 0.000 0.473) 0.473 ======================= Grid point 114 (64/120) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -0.443 0.443 0.000) 0.626 3.357 ( -6.587 6.587 0.000) 9.316 4.159 ( -1.481 1.481 0.000) 2.095 4.212 ( 1.249 -1.249 -0.000) 1.767 4.453 ( -24.757 24.757 0.000) 35.012 8.565 ( 4.294 -4.294 -0.000) 6.072 10.254 ( 3.717 -3.717 -0.000) 5.256 10.271 ( 2.178 -2.178 -0.000) 3.080 11.329 ( 4.255 -4.255 -0.000) 6.018 31.771 ( -0.462 0.462 0.000) 0.653 31.772 ( -0.529 0.529 0.000) 0.749 32.413 ( 0.637 -0.637 -0.000) 0.902 36.640 ( -0.688 0.688 0.000) 0.973 37.124 ( 0.718 -0.718 -0.000) 1.015 69.834 ( -0.005 0.005 0.000) 0.006 72.091 ( 0.082 -0.082 -0.000) 0.117 72.093 ( -0.097 0.097 0.000) 0.137 72.954 ( 0.021 -0.021 -0.000) 0.030 ======================= Grid point 262 (65/120) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -0.000 13.822 22.761) 26.629 1.515 ( -0.000 17.933 22.439) 28.725 2.778 ( -0.000 16.654 42.191) 45.359 5.172 ( 0.000 -2.325 -0.993) 2.528 5.376 ( -0.000 17.485 -4.075) 17.953 6.131 ( -0.000 0.390 29.285) 29.288 6.439 ( -0.000 5.450 38.651) 39.034 6.960 ( -0.000 13.551 44.273) 46.301 8.280 ( -0.000 14.856 1.818) 14.967 32.340 ( 0.000 -2.207 -4.456) 4.972 32.363 ( 0.000 -0.539 -4.386) 4.419 32.571 ( 0.000 -1.784 -1.536) 2.354 36.946 ( 0.000 0.254 -2.202) 2.216 37.009 ( 0.000 -1.168 0.969) 1.518 70.129 ( 0.000 -1.150 -2.426) 2.685 72.068 ( -0.000 0.072 0.186) 0.199 72.075 ( -0.000 0.520 0.215) 0.563 72.757 ( -0.000 0.367 1.554) 1.597 ======================= Grid point 263 (66/120) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 4.834 16.401 18.378) 25.102 1.989 ( -3.525 12.964 23.264) 26.864 3.443 ( -10.165 17.035 30.881) 36.703 5.108 ( 3.326 -5.143 0.628) 6.156 5.493 ( 11.138 14.374 1.446) 18.241 6.491 ( 3.687 6.216 29.499) 30.372 6.939 ( -5.067 19.408 24.105) 31.359 7.674 ( -29.554 -0.484 36.980) 47.342 8.611 ( 2.117 25.481 18.491) 31.554 32.257 ( 0.213 -2.876 -4.962) 5.739 32.296 ( 0.940 -1.022 -4.854) 5.049 32.525 ( 0.782 -2.258 -1.731) 2.950 36.925 ( -0.090 0.543 -2.405) 2.468 37.002 ( 0.437 -1.583 1.003) 1.924 70.083 ( 0.440 -1.468 -2.645) 3.058 72.073 ( -0.314 0.076 0.185) 0.372 72.084 ( -0.041 0.579 0.233) 0.626 72.781 ( -0.021 0.559 1.712) 1.801 ======================= Grid point 264 (67/120) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 4.369 16.217 14.898) 22.451 2.382 ( -0.196 7.119 23.223) 24.291 4.036 ( -12.839 14.422 19.067) 27.136 5.006 ( 5.184 -6.945 2.198) 8.941 5.475 ( 22.178 8.204 7.109) 24.693 6.814 ( 12.323 4.679 33.563) 36.058 7.531 ( -25.285 30.522 -1.268) 39.655 8.396 ( -32.915 -4.075 33.974) 47.478 9.165 ( 1.892 26.581 28.765) 39.212 32.164 ( 0.392 -2.993 -4.913) 5.766 32.213 ( 1.575 -1.422 -4.832) 5.277 32.467 ( 1.178 -2.397 -1.766) 3.202 36.908 ( -0.237 0.865 -2.384) 2.547 36.988 ( 0.636 -1.845 0.963) 2.176 70.030 ( 0.623 -1.528 -2.582) 3.065 72.081 ( -0.525 0.061 0.151) 0.550 72.093 ( -0.054 0.564 0.193) 0.599 72.807 ( 0.044 0.632 1.728) 1.841 ======================= Grid point 265 (68/120) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 3.695 14.150 12.021) 18.931 2.678 ( 2.185 3.487 21.173) 21.570 4.459 ( -10.949 9.703 8.333) 16.836 4.895 ( 6.344 -7.317 4.189) 10.551 5.369 ( 25.940 4.505 10.684) 28.414 7.075 ( 14.835 3.867 31.588) 35.112 8.104 ( -28.038 25.973 -7.924) 39.032 9.078 ( -25.470 4.909 27.678) 37.932 9.728 ( -2.336 16.844 25.253) 30.445 32.076 ( 0.336 -2.486 -4.222) 4.911 32.126 ( 1.723 -1.599 -4.278) 4.881 32.409 ( 1.153 -2.142 -1.608) 2.916 36.897 ( -0.417 1.119 -2.190) 2.494 36.969 ( 0.639 -1.903 0.885) 2.194 69.980 ( 0.524 -1.325 -2.251) 2.664 72.089 ( -0.625 0.026 0.077) 0.630 72.101 ( -0.046 0.488 0.106) 0.502 72.832 ( 0.207 0.570 1.613) 1.723 ======================= Grid point 266 (69/120) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 3.501 10.270 9.158) 14.199 2.884 ( 4.851 1.164 17.775) 18.462 4.684 ( -6.906 3.899 0.432) 7.942 4.807 ( 6.287 -4.322 5.080) 9.167 5.262 ( 24.724 2.210 15.159) 29.085 7.269 ( 16.711 2.692 27.560) 32.343 8.537 ( -20.439 15.733 -5.699) 26.415 9.664 ( -17.609 12.050 15.530) 26.391 10.119 ( -3.788 4.709 15.703) 16.826 32.012 ( -0.111 -1.486 -2.974) 3.326 32.049 ( 1.267 -1.409 -3.263) 3.773 32.361 ( 0.744 -1.487 -1.226) 2.066 36.893 ( -0.647 1.125 -1.884) 2.288 36.952 ( 0.559 -1.626 0.799) 1.896 69.941 ( 0.164 -0.896 -1.711) 1.938 72.096 ( -0.608 -0.011 -0.049) 0.610 72.107 ( -0.028 0.350 0.010) 0.351 72.850 ( 0.459 0.393 1.389) 1.515 ======================= Grid point 267 (70/120) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 4.255 3.958 6.300) 8.571 2.990 ( 8.787 0.070 13.469) 16.082 4.727 ( 4.344 -2.349 6.256) 7.970 4.784 ( -1.872 1.818 -3.563) 4.417 5.213 ( 21.070 0.654 18.753) 28.214 7.372 ( 19.555 0.968 23.312) 30.443 8.770 ( -11.454 5.156 -5.939) 13.894 10.053 ( -9.009 9.950 2.999) 13.754 10.263 ( -0.455 -3.639 5.641) 6.728 31.982 ( -0.984 -0.320 -1.531) 1.848 31.998 ( 0.207 -0.727 -1.908) 2.052 32.334 ( 0.083 -0.533 -0.631) 0.830 36.893 ( -1.014 0.548 -1.490) 1.884 36.940 ( 0.568 -0.720 0.700) 1.153 69.919 ( -0.393 -0.316 -1.055) 1.170 72.101 ( -0.469 -0.015 -0.245) 0.530 72.110 ( -0.025 0.134 -0.036) 0.141 72.860 ( 0.769 0.140 1.094) 1.344 ======================= Grid point 278 (71/120) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.000 12.666 19.895) 23.585 1.991 ( -0.000 16.187 20.064) 25.780 3.640 ( -0.000 5.014 32.922) 33.301 5.123 ( -0.000 6.470 -3.370) 7.296 5.254 ( -0.000 20.168 -6.631) 21.230 6.847 ( -0.000 -20.941 31.575) 37.888 7.399 ( -0.000 3.078 45.352) 45.456 7.870 ( -0.000 -3.917 31.734) 31.975 8.535 ( -0.000 32.615 27.064) 42.382 32.223 ( 0.000 -1.790 -5.818) 6.087 32.245 ( 0.000 -0.057 -5.978) 5.979 32.533 ( 0.000 -1.769 -1.816) 2.535 36.888 ( 0.000 0.541 -2.975) 3.024 37.034 ( 0.000 -1.317 1.232) 1.803 70.066 ( 0.000 -0.898 -3.121) 3.248 72.073 ( -0.000 0.030 0.237) 0.238 72.079 ( -0.000 0.531 0.211) 0.571 72.798 ( -0.000 0.196 2.061) 2.071 ======================= Grid point 279 (72/120) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 7.544 13.778 17.623) 23.607 2.465 ( -8.583 12.199 19.203) 24.316 4.036 ( -5.288 6.901 20.410) 22.184 5.089 ( 11.341 8.387 -2.911) 14.402 5.520 ( -8.538 16.205 0.858) 18.337 6.989 ( -9.434 -7.425 16.205) 20.168 7.676 ( 28.902 2.812 39.911) 49.357 8.437 ( -31.178 -1.664 31.668) 44.471 9.229 ( -0.182 25.538 34.311) 42.772 32.135 ( 0.126 -2.069 -5.731) 6.094 32.172 ( 0.583 -0.217 -6.066) 6.098 32.486 ( 0.722 -2.271 -1.759) 2.962 36.864 ( -0.268 0.960 -2.991) 3.153 37.028 ( 0.502 -1.795 1.200) 2.216 70.018 ( 0.301 -1.071 -3.061) 3.256 72.078 ( -0.285 0.012 0.206) 0.352 72.088 ( -0.012 0.591 0.157) 0.612 72.824 ( 0.037 0.290 2.090) 2.110 ======================= Grid point 280 (73/120) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 6.157 12.256 15.332) 20.572 2.843 ( -3.836 5.916 17.897) 19.236 4.351 ( -7.686 6.846 8.155) 13.131 5.014 ( 13.558 8.922 -2.580) 16.434 5.724 ( 4.513 -0.588 14.986) 15.662 7.315 ( -22.997 11.839 4.690) 26.287 7.836 ( 23.430 3.646 35.220) 42.458 9.082 ( -22.499 2.550 26.898) 35.160 9.831 ( -2.987 13.905 29.079) 32.371 32.051 ( 0.107 -1.775 -5.052) 5.356 32.095 ( 0.792 -0.370 -5.521) 5.590 32.430 ( 1.074 -2.383 -1.573) 3.050 36.849 ( -0.594 1.323 -2.779) 3.134 37.011 ( 0.788 -2.029 1.086) 2.433 69.969 ( 0.339 -1.003 -2.731) 2.929 72.084 ( -0.462 -0.014 0.121) 0.478 72.096 ( -0.013 0.561 0.073) 0.566 72.850 ( 0.171 0.286 1.983) 2.011 ======================= Grid point 281 (74/120) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 5.077 9.251 12.781) 16.574 3.093 ( 0.328 1.683 15.813) 15.906 4.538 ( -7.442 4.874 -1.138) 8.968 4.932 ( 14.649 9.373 -1.892) 17.493 5.774 ( 12.365 -11.508 25.132) 30.281 7.763 ( -8.250 6.959 16.671) 19.860 8.049 ( 2.932 14.415 14.747) 20.830 9.579 ( -13.260 6.103 17.168) 22.534 10.234 ( -3.636 2.476 19.233) 19.730 31.985 ( -0.288 -1.036 -3.875) 4.022 32.026 ( 0.634 -0.373 -4.368) 4.430 32.377 ( 0.993 -2.004 -1.267) 2.571 36.845 ( -0.947 1.505 -2.395) 2.983 36.990 ( 0.902 -1.956 0.919) 2.342 69.929 ( 0.116 -0.712 -2.192) 2.308 72.090 ( -0.493 -0.022 -0.037) 0.494 72.102 ( -0.036 0.446 0.007) 0.447 72.870 ( 0.398 0.168 1.759) 1.811 ======================= Grid point 282 (75/120) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 4.872 4.994 9.825) 12.050 3.230 ( 4.616 -1.351 13.195) 14.044 4.618 ( -7.314 2.975 -6.437) 10.187 4.864 ( 14.922 10.355 0.291) 18.165 5.783 ( 13.882 -15.393 30.171) 36.605 7.956 ( 19.813 -4.535 31.408) 37.411 8.398 ( -17.180 16.788 -5.962) 24.750 9.900 ( -8.085 7.068 5.929) 12.267 10.389 ( 0.557 -5.069 7.875) 9.382 31.950 ( -1.184 -0.218 -2.562) 2.831 31.979 ( 0.153 -0.021 -2.737) 2.741 32.338 ( 0.504 -1.124 -0.839) 1.490 36.850 ( -1.330 1.352 -1.901) 2.686 36.970 ( 0.940 -1.474 0.734) 1.896 69.904 ( -0.326 -0.250 -1.534) 1.588 72.093 ( -0.373 0.011 -0.255) 0.452 72.107 ( -0.098 0.243 -0.004) 0.262 72.883 ( 0.693 -0.040 1.450) 1.608 ======================= Grid point 283 (76/120) ======================= q-point: (-0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 5.942 -0.103 6.894) 9.102 3.253 ( 9.234 -3.850 10.061) 14.189 4.636 ( -6.620 1.387 -8.317) 10.720 4.848 ( 13.693 11.730 3.304) 18.330 5.801 ( 12.879 -16.955 32.405) 38.774 7.974 ( 25.648 -6.331 28.743) 39.039 8.568 ( -10.369 2.408 -12.154) 16.156 10.036 ( -4.634 -1.244 -3.544) 5.965 10.309 ( 8.940 -2.014 -1.838) 9.346 31.945 ( -1.924 0.214 -1.749) 2.609 31.968 ( -1.193 0.927 -0.715) 1.672 32.324 ( -0.216 0.089 -0.312) 0.390 36.861 ( -1.783 0.661 -1.353) 2.333 36.955 ( 1.022 -0.428 0.556) 1.240 69.897 ( -0.913 0.305 -0.869) 1.297 72.092 ( -0.199 0.047 -0.443) 0.488 72.110 ( -0.125 0.010 0.000) 0.126 72.886 ( 1.020 -0.294 1.093) 1.523 ======================= Grid point 284 (77/120) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 8.317 -4.992 4.873) 10.856 3.166 ( 12.995 -5.992 6.844) 15.863 4.611 ( -4.164 -1.129 -7.744) 8.865 4.883 ( 12.781 12.744 4.519) 18.606 5.846 ( 9.864 -17.905 33.323) 39.094 7.885 ( 27.568 -8.416 23.013) 36.884 8.416 ( -3.223 -11.071 -18.026) 21.398 9.786 ( 13.439 -13.319 -14.973) 24.129 10.213 ( 8.406 4.117 -3.005) 9.831 31.961 ( -2.538 1.028 -0.823) 2.859 32.006 ( -3.042 1.489 0.442) 3.416 32.338 ( -0.923 1.312 0.201) 1.617 36.872 ( -2.250 -0.538 -0.813) 2.452 36.951 ( 1.153 1.111 0.402) 1.650 69.911 ( -1.546 0.858 -0.304) 1.794 72.089 ( -0.052 0.045 -0.522) 0.526 72.110 ( -0.071 -0.194 -0.008) 0.207 72.878 ( 1.334 -0.538 0.729) 1.613 ======================= Grid point 285 (78/120) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 11.515 -8.564 3.953) 14.885 2.987 ( 15.390 -8.458 4.103) 18.034 4.505 ( 2.193 -5.808 -7.349) 9.620 4.943 ( 11.752 13.171 4.722) 18.273 5.920 ( 5.427 -19.343 31.690) 37.521 7.660 ( 19.588 -15.387 5.882) 25.594 8.066 ( 8.747 -14.131 -8.604) 18.714 9.193 ( 28.220 -9.793 -24.178) 38.430 10.057 ( 14.431 -6.003 -1.613) 15.712 32.007 ( -3.588 2.022 -0.210) 4.124 32.074 ( -4.312 1.646 0.860) 4.695 32.376 ( -1.446 2.229 0.510) 2.705 36.881 ( -2.512 -1.369 -0.396) 2.888 36.962 ( 1.152 2.228 0.311) 2.527 69.943 ( -2.120 1.315 0.065) 2.496 72.083 ( 0.056 0.016 -0.470) 0.473 72.107 ( 0.034 -0.360 -0.019) 0.362 72.861 ( 1.592 -0.718 0.400) 1.792 ======================= Grid point 286 (79/120) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 15.139 -10.426 3.177) 18.654 2.724 ( 16.666 -12.313 1.523) 20.777 4.255 ( 12.454 -11.029 -5.703) 17.586 5.017 ( 9.044 12.315 3.315) 15.634 5.960 ( 1.367 -23.349 22.091) 32.173 7.241 ( 4.536 -23.882 -12.622) 27.390 7.791 ( 27.461 -6.812 16.448) 32.727 8.432 ( 36.936 -4.273 -30.542) 48.118 9.711 ( 22.319 -17.150 -0.027) 28.147 32.079 ( -4.517 2.801 0.017) 5.315 32.154 ( -5.028 1.564 0.672) 5.309 32.428 ( -1.740 2.675 0.458) 3.224 36.891 ( -2.590 -1.385 -0.146) 2.941 36.979 ( 1.077 2.440 0.228) 2.677 69.987 ( -2.537 1.597 0.175) 3.003 72.078 ( 0.130 -0.023 -0.288) 0.317 72.101 ( 0.142 -0.486 -0.018) 0.507 72.836 ( 1.756 -0.792 0.144) 1.931 ======================= Grid point 287 (80/120) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 18.577 -11.641 -0.000) 21.923 2.372 ( 17.772 -16.879 -0.000) 24.510 3.872 ( 23.054 -14.733 -0.000) 27.360 5.080 ( 5.662 9.945 0.000) 11.444 5.807 ( -1.780 -26.286 -0.000) 26.346 6.843 ( 9.094 -20.223 -0.000) 22.173 7.543 ( 41.097 -11.093 -0.000) 42.568 7.746 ( 29.417 6.756 0.000) 30.183 9.191 ( 26.335 -25.586 -0.000) 36.718 32.167 ( -5.013 3.114 0.000) 5.901 32.232 ( -5.186 1.329 0.000) 5.354 32.481 ( -1.825 2.654 0.000) 3.221 36.905 ( -2.567 -1.002 -0.000) 2.755 36.995 ( 1.034 2.128 0.000) 2.366 70.037 ( -2.723 1.653 0.000) 3.186 72.074 ( 0.172 -0.056 -0.000) 0.181 72.093 ( 0.215 -0.565 -0.000) 0.605 72.808 ( 1.800 -0.735 -0.000) 1.944 ======================= Grid point 294 (81/120) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -0.000 11.366 17.883) 21.189 2.417 ( -0.000 15.044 18.047) 23.495 4.186 ( -0.000 -1.022 15.217) 15.251 5.025 ( -0.000 14.996 -5.494) 15.971 5.083 ( -0.000 21.100 -8.608) 22.788 7.438 ( 0.000 -29.751 21.410) 36.653 8.403 ( -0.000 2.321 43.105) 43.167 8.503 ( -0.000 1.267 30.127) 30.154 9.392 ( -0.000 19.637 42.145) 46.495 32.086 ( 0.000 -1.145 -6.254) 6.358 32.103 ( 0.000 0.237 -6.495) 6.500 32.492 ( 0.000 -1.601 -1.833) 2.434 36.817 ( 0.000 0.821 -3.296) 3.397 37.062 ( 0.000 -1.365 1.209) 1.823 69.993 ( 0.000 -0.613 -3.284) 3.340 72.079 ( -0.000 -0.015 0.248) 0.248 72.084 ( -0.000 0.436 0.197) 0.479 72.847 ( -0.000 0.096 2.192) 2.194 ======================= Grid point 295 (82/120) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 7.759 11.423 16.309) 21.370 2.856 ( -9.533 11.195 15.824) 21.601 4.321 ( -3.201 1.609 5.516) 6.578 4.973 ( 17.745 18.089 -7.218) 26.348 5.504 ( -25.078 25.507 -2.855) 35.884 7.370 ( -0.430 -21.205 19.391) 28.738 8.580 ( 25.177 -2.792 38.719) 46.269 9.119 ( -20.032 2.972 29.013) 35.382 10.004 ( -2.773 10.816 32.679) 34.534 32.007 ( -0.047 -1.052 -5.601) 5.699 32.034 ( 0.205 0.371 -5.968) 5.983 32.447 ( 0.650 -2.074 -1.610) 2.705 36.795 ( -0.434 1.313 -3.065) 3.362 37.054 ( 0.555 -1.863 1.093) 2.229 69.949 ( 0.159 -0.660 -2.949) 3.026 72.082 ( -0.206 -0.043 0.189) 0.283 72.091 ( -0.004 0.474 0.110) 0.487 72.872 ( 0.068 0.121 2.057) 2.062 ======================= Grid point 296 (83/120) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 6.362 8.903 14.204) 17.931 3.193 ( -5.234 5.074 13.593) 15.424 4.407 ( -4.422 2.522 -2.405) 5.630 4.898 ( 17.955 18.814 -7.078) 26.953 6.038 ( -17.825 14.386 10.398) 25.156 7.459 ( -11.271 -3.535 11.596) 16.553 8.681 ( 23.540 -5.703 36.248) 43.596 9.598 ( -10.292 3.506 19.258) 22.116 10.408 ( -2.848 0.844 21.621) 21.824 31.943 ( -0.441 -0.605 -4.525) 4.587 31.977 ( 0.140 0.593 -4.770) 4.809 32.398 ( 0.968 -2.154 -1.289) 2.691 36.787 ( -0.904 1.687 -2.630) 3.253 37.034 ( 0.917 -2.081 0.918) 2.452 69.911 ( 0.078 -0.508 -2.403) 2.457 72.086 ( -0.260 -0.047 0.051) 0.269 72.097 ( -0.061 0.413 0.044) 0.420 72.893 ( 0.237 0.059 1.810) 1.826 ======================= Grid point 297 (84/120) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 5.512 5.228 11.346) 13.655 3.401 ( -0.732 0.541 12.114) 12.148 4.427 ( -5.561 2.432 -8.291) 10.275 4.846 ( 17.910 20.147 -4.731) 27.369 6.384 ( -1.415 -8.644 26.654) 28.056 7.797 ( -23.247 14.955 -1.097) 27.663 8.727 ( 22.842 -8.182 31.851) 40.040 9.864 ( -3.559 2.736 9.020) 10.076 10.562 ( 1.373 -6.346 9.611) 11.598 31.905 ( -1.339 -0.111 -3.266) 3.532 31.941 ( -0.043 1.001 -3.089) 3.247 32.352 ( 0.866 -1.707 -0.905) 2.118 36.794 ( -1.365 1.821 -2.060) 3.069 37.009 ( 1.107 -1.945 0.710) 2.348 69.884 ( -0.225 -0.186 -1.738) 1.762 72.087 ( -0.174 -0.011 -0.141) 0.224 72.103 ( -0.165 0.270 0.027) 0.317 72.907 ( 0.491 -0.097 1.475) 1.558 ======================= Grid point 298 (85/120) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 5.854 1.353 7.885) 9.913 3.488 ( 4.550 -3.700 10.072) 11.655 4.423 ( -7.850 2.827 -10.032) 13.048 4.845 ( 17.588 21.297 -1.495) 27.661 6.520 ( 5.886 -20.764 33.740) 40.052 8.156 ( -19.275 11.944 -10.270) 24.893 8.699 ( 22.323 -10.229 27.340) 36.748 9.970 ( -1.928 1.354 1.591) 2.843 10.455 ( 10.049 -8.074 -2.006) 13.045 31.896 ( -2.336 0.223 -2.099) 3.149 31.933 ( -0.620 1.537 -1.346) 2.135 32.323 ( 0.356 -0.705 -0.494) 0.932 36.811 ( -1.811 1.579 -1.429) 2.795 36.984 ( 1.200 -1.374 0.499) 1.891 69.874 ( -0.696 0.250 -1.065) 1.296 72.086 ( -0.061 0.025 -0.288) 0.295 72.107 ( -0.213 0.101 0.019) 0.237 72.912 ( 0.802 -0.315 1.085) 1.385 ======================= Grid point 299 (86/120) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 7.569 -1.736 4.559) 9.005 3.441 ( 8.789 -7.452 6.546) 13.252 4.447 ( -8.201 2.362 -7.497) 11.359 4.888 ( 16.868 21.161 0.721) 27.071 6.573 ( 6.385 -24.864 34.169) 42.737 8.162 ( -8.070 -9.305 -19.182) 22.796 8.641 ( 23.053 -6.262 24.216) 34.016 9.920 ( 6.861 -11.274 -6.684) 14.793 10.204 ( 11.941 4.842 -6.017) 14.221 31.912 ( -2.699 0.668 -1.065) 2.978 31.959 ( -2.140 1.831 -0.180) 2.822 32.320 ( -0.375 0.618 -0.115) 0.732 36.836 ( -2.265 0.796 -0.817) 2.536 36.965 ( 1.295 -0.258 0.309) 1.356 69.882 ( -1.255 0.724 -0.492) 1.530 72.083 ( 0.023 0.038 -0.321) 0.324 72.110 ( -0.173 -0.063 0.006) 0.184 72.906 ( 1.127 -0.546 0.677) 1.424 ======================= Grid point 300 (87/120) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 10.294 -3.812 2.016) 11.161 3.283 ( 10.960 -10.188 3.061) 15.274 4.468 ( -4.195 -0.836 -3.933) 5.812 4.948 ( 15.764 19.628 1.345) 25.211 6.579 ( 4.019 -26.405 27.038) 38.006 7.789 ( -5.159 -24.927 -20.854) 32.907 8.552 ( 28.974 -2.582 19.993) 35.297 9.404 ( 27.472 -14.707 -16.478) 35.250 10.161 ( 6.307 4.051 -1.256) 7.600 31.948 ( -3.061 1.378 -0.321) 3.373 32.014 ( -3.733 1.822 0.214) 4.160 32.342 ( -1.054 1.811 0.098) 2.098 36.859 ( -2.660 -0.503 -0.313) 2.725 36.958 ( 1.388 1.320 0.147) 1.921 69.906 ( -1.808 1.154 -0.115) 2.148 72.080 ( 0.078 0.031 -0.221) 0.237 72.110 ( -0.073 -0.220 -0.003) 0.232 72.890 ( 1.422 -0.733 0.297) 1.627 ======================= Grid point 301 (88/120) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 13.334 -5.742 -0.000) 14.518 3.041 ( 12.772 -12.462 -0.000) 17.844 4.413 ( 3.567 -6.117 -0.000) 7.081 4.997 ( 13.475 16.818 0.000) 21.550 6.419 ( 1.218 -27.965 -0.000) 27.992 7.398 ( -5.689 -28.748 -0.000) 29.305 8.348 ( 34.277 3.173 0.000) 34.423 8.735 ( 35.932 -15.438 -0.000) 39.108 10.040 ( 13.401 -6.109 -0.000) 14.727 32.004 ( -3.781 2.170 0.000) 4.360 32.084 ( -4.702 1.713 0.000) 5.004 32.382 ( -1.517 2.519 0.000) 2.940 36.876 ( -2.748 -1.440 -0.000) 3.102 36.965 ( 1.284 2.439 0.000) 2.756 69.944 ( -2.262 1.464 0.000) 2.694 72.078 ( 0.111 0.009 -0.000) 0.111 72.107 ( 0.045 -0.364 -0.000) 0.367 72.866 ( 1.643 -0.825 -0.000) 1.839 ======================= Grid point 310 (89/120) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -0.000 9.520 16.191) 18.782 2.799 ( -0.000 13.201 16.049) 20.781 4.349 ( 0.000 -2.485 0.896) 2.642 4.867 ( -0.000 22.558 -9.950) 24.655 4.874 ( -0.000 19.199 -8.646) 21.056 7.879 ( 0.000 -21.797 18.731) 28.740 9.202 ( -0.000 -4.504 30.155) 30.489 9.285 ( -0.000 2.043 34.806) 34.866 10.267 ( -0.000 6.529 34.649) 35.259 31.951 ( 0.000 -0.448 -5.690) 5.707 31.963 ( 0.000 0.608 -5.763) 5.795 32.453 ( 0.000 -1.435 -1.552) 2.113 36.744 ( 0.000 1.062 -3.036) 3.216 37.087 ( 0.000 -1.385 0.983) 1.698 69.923 ( 0.000 -0.343 -2.877) 2.897 72.084 ( -0.000 -0.048 0.220) 0.225 72.088 ( -0.000 0.303 0.155) 0.340 72.894 ( -0.000 0.034 1.932) 1.932 ======================= Grid point 311 (90/120) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 6.987 8.750 14.253) 18.125 3.175 ( -8.874 9.081 12.667) 17.935 4.332 ( -1.383 -0.458 -3.422) 3.719 4.783 ( 19.612 22.129 -9.203) 30.968 5.400 ( -32.826 34.334 -5.699) 47.842 7.834 ( 3.052 -21.280 20.538) 29.731 9.342 ( 12.855 -8.768 28.229) 32.233 9.712 ( -5.375 2.442 23.422) 24.155 10.636 ( -1.119 -0.776 23.131) 23.171 31.890 ( -0.412 -0.258 -4.674) 4.699 31.915 ( -0.014 1.137 -4.536) 4.676 32.415 ( 0.590 -1.866 -1.227) 2.310 36.731 ( -0.560 1.594 -2.542) 3.053 37.075 ( 0.591 -1.887 0.806) 2.136 69.890 ( 0.039 -0.307 -2.320) 2.340 72.086 ( -0.055 -0.068 0.141) 0.166 72.093 ( -0.066 0.303 0.073) 0.319 72.914 ( 0.083 0.019 1.636) 1.638 ======================= Grid point 312 (91/120) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 5.915 5.536 11.324) 13.923 3.462 ( -6.330 4.268 10.641) 13.096 4.277 ( -1.757 -0.509 -8.347) 8.545 4.734 ( 19.500 24.745 -6.737) 32.217 6.165 ( -34.296 34.090 2.111) 48.402 7.805 ( 1.056 -16.862 16.695) 23.753 9.368 ( 12.401 -13.119 23.526) 29.654 9.959 ( 2.168 1.875 13.541) 13.841 10.777 ( 2.390 -7.514 11.165) 13.668 31.853 ( -1.262 -0.001 -3.359) 3.588 31.889 ( -0.123 1.759 -2.958) 3.443 32.373 ( 0.886 -1.920 -0.850) 2.279 36.736 ( -1.117 1.958 -1.902) 2.950 37.051 ( 1.001 -2.095 0.599) 2.398 69.865 ( -0.121 -0.126 -1.644) 1.653 72.086 ( 0.023 -0.051 -0.005) 0.056 72.098 ( -0.200 0.230 0.042) 0.308 72.928 ( 0.262 -0.074 1.261) 1.291 ======================= Grid point 313 (92/120) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 5.697 1.939 7.322) 9.478 3.651 ( -1.444 -0.719 10.429) 10.553 4.199 ( -5.167 1.251 -11.156) 12.358 4.750 ( 19.310 26.770 -3.400) 33.183 6.868 ( -20.552 14.739 14.977) 29.393 7.813 ( -6.458 -5.955 2.402) 9.107 9.298 ( 10.054 -17.309 17.163) 26.368 10.034 ( 7.460 2.021 7.333) 10.654 10.664 ( 9.957 -11.221 0.054) 15.002 31.844 ( -2.294 0.235 -1.975) 3.036 31.890 ( -0.390 2.240 -1.446) 2.695 32.337 ( 0.784 -1.447 -0.476) 1.713 36.756 ( -1.620 2.040 -1.201) 2.868 37.021 ( 1.228 -1.929 0.381) 2.318 69.854 ( -0.450 0.167 -0.960) 1.074 72.084 ( 0.095 -0.026 -0.115) 0.151 72.103 ( -0.276 0.136 0.026) 0.308 72.934 ( 0.524 -0.240 0.838) 1.017 ======================= Grid point 314 (93/120) ======================= q-point: (-0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 6.679 -0.629 3.174) 7.422 3.673 ( 5.848 -7.106 5.592) 10.769 4.221 ( -10.472 4.744 -6.391) 13.153 4.815 ( 18.729 26.613 -0.861) 32.554 7.213 ( 0.297 -14.999 25.781) 29.828 7.846 ( -14.271 2.159 -16.396) 21.844 9.161 ( 8.415 -16.220 11.397) 21.535 10.041 ( 8.280 2.974 5.491) 10.371 10.323 ( 18.855 -10.684 -8.095) 23.134 31.863 ( -2.969 0.479 -0.793) 3.110 31.915 ( -1.117 2.347 -0.389) 2.628 32.316 ( 0.284 -0.430 -0.163) 0.541 36.789 ( -2.054 1.718 -0.534) 2.731 36.991 ( 1.327 -1.322 0.176) 1.882 69.858 ( -0.892 0.521 -0.381) 1.101 72.081 ( 0.120 0.000 -0.120) 0.169 72.108 ( -0.262 0.033 0.009) 0.264 72.929 ( 0.836 -0.443 0.401) 1.027 ======================= Grid point 315 (94/120) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 8.406 -2.106 -0.000) 8.665 3.522 ( 8.627 -9.515 -0.000) 12.844 4.352 ( -9.123 3.366 0.000) 9.724 4.894 ( 17.628 24.122 0.000) 29.876 7.101 ( 5.756 -25.058 -0.000) 25.711 7.801 ( -9.664 -14.185 -0.000) 17.164 8.977 ( 15.735 -7.730 -0.000) 17.532 9.800 ( 26.138 -16.317 -0.000) 30.813 10.124 ( 4.977 9.392 0.000) 10.630 31.900 ( -3.002 0.842 0.000) 3.118 31.958 ( -2.469 2.108 0.000) 3.246 32.318 ( -0.424 0.828 0.000) 0.930 36.826 ( -2.428 0.853 0.000) 2.574 36.968 ( 1.384 -0.201 -0.000) 1.398 69.876 ( -1.373 0.871 0.000) 1.626 72.080 ( 0.107 0.023 0.000) 0.110 72.110 ( -0.183 -0.086 -0.000) 0.203 72.914 ( 1.152 -0.627 -0.000) 1.312 ======================= Grid point 326 (95/120) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( -0.000 7.416 13.238) 15.173 3.126 ( -0.000 10.279 12.734) 16.365 4.297 ( 0.000 -1.811 -4.313) 4.677 4.629 ( -0.000 21.809 -10.070) 24.022 4.679 ( -0.000 24.503 -8.626) 25.977 8.259 ( -0.000 -13.802 14.318) 19.887 9.783 ( -0.000 -10.263 20.737) 23.138 9.932 ( -0.000 1.960 22.479) 22.564 10.908 ( -0.000 -2.440 22.099) 22.233 31.839 ( 0.000 -0.035 -4.075) 4.075 31.853 ( 0.000 1.189 -3.895) 4.072 32.424 ( 0.000 -1.313 -1.031) 1.669 36.685 ( 0.000 1.231 -2.153) 2.481 37.105 ( 0.000 -1.395 0.630) 1.530 69.868 ( 0.000 -0.135 -1.961) 1.966 72.088 ( -0.000 -0.055 0.161) 0.170 72.091 ( -0.000 0.167 0.087) 0.188 72.931 ( -0.000 -0.003 1.323) 1.323 ======================= Grid point 327 (96/120) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 5.894 5.889 9.628) 12.733 3.415 ( -8.518 7.106 8.369) 13.896 4.213 ( 0.485 -3.047 -6.141) 6.873 4.598 ( 21.202 26.421 -6.478) 34.491 5.283 ( -37.159 40.007 -4.086) 54.754 8.220 ( 3.508 -16.269 12.707) 20.940 9.812 ( 1.882 -15.961 13.639) 21.079 10.143 ( 4.819 2.614 14.200) 15.222 11.025 ( 2.701 -8.123 11.508) 14.343 31.805 ( -0.800 0.086 -2.711) 2.828 31.836 ( -0.084 1.978 -2.392) 3.105 32.394 ( 0.553 -1.723 -0.661) 1.926 36.686 ( -0.635 1.771 -1.449) 2.375 37.089 ( 0.611 -1.896 0.423) 2.036 69.849 ( -0.042 -0.069 -1.275) 1.278 72.088 ( 0.132 -0.060 0.074) 0.163 72.094 ( -0.189 0.147 0.037) 0.242 72.942 ( 0.088 -0.036 0.905) 0.910 ======================= Grid point 328 (97/120) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 5.372 2.731 4.757) 7.677 3.666 ( -8.962 5.646 6.691) 12.529 4.084 ( 1.119 -4.421 -7.112) 8.448 4.623 ( 21.009 29.283 -2.774) 36.146 6.182 ( -40.536 41.985 0.071) 58.360 8.096 ( 5.187 -18.103 7.450) 20.252 9.698 ( 0.476 -21.685 6.493) 22.641 10.204 ( 10.915 3.561 6.974) 13.433 10.922 ( 8.895 -12.265 2.570) 15.368 31.800 ( -1.795 0.222 -1.245) 2.196 31.845 ( -0.247 2.562 -0.988) 2.757 32.360 ( 0.842 -1.781 -0.297) 1.992 36.706 ( -1.223 2.102 -0.697) 2.530 37.060 ( 1.041 -2.097 0.207) 2.350 69.840 ( -0.228 0.082 -0.584) 0.632 72.086 ( 0.202 -0.061 -0.009) 0.211 72.099 ( -0.294 0.124 0.018) 0.320 72.947 ( 0.269 -0.133 0.452) 0.542 ======================= Grid point 329 (98/120) ======================= q-point: (-0.33 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( 5.794 0.488 -0.000) 5.815 3.828 ( 0.171 -2.634 -0.000) 2.640 4.007 ( -7.350 2.245 0.000) 7.685 4.710 ( 20.056 29.412 0.000) 35.600 7.032 ( -32.575 31.194 0.000) 45.102 7.855 ( 5.333 -20.531 -0.000) 21.212 9.477 ( -0.204 -23.348 -0.000) 23.349 10.152 ( 13.735 5.675 0.000) 14.861 10.636 ( 15.733 -14.580 -0.000) 21.450 31.821 ( -2.637 0.351 0.000) 2.660 31.874 ( -0.535 2.693 0.000) 2.745 32.331 ( 0.756 -1.346 -0.000) 1.544 36.743 ( -1.704 2.119 0.000) 2.719 37.026 ( 1.267 -1.922 -0.000) 2.302 69.843 ( -0.529 0.292 0.000) 0.604 72.083 ( 0.190 -0.041 -0.000) 0.195 72.104 ( -0.310 0.093 0.000) 0.324 72.943 ( 0.530 -0.284 -0.000) 0.602 ======================= Grid point 342 (99/120) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( -0.000 5.225 5.820) 7.821 3.343 ( 0.000 7.363 5.747) 9.340 4.200 ( -0.000 -2.768 -3.248) 4.268 4.465 ( 0.000 25.825 -3.712) 26.091 4.519 ( 0.000 26.779 -4.622) 27.175 8.485 ( -0.000 -9.543 5.313) 10.923 10.101 ( -0.000 -13.103 7.306) 15.002 10.274 ( 0.000 1.938 7.761) 7.999 11.242 ( 0.000 -7.230 7.556) 10.458 31.776 ( -0.000 0.112 -1.481) 1.485 31.794 ( 0.000 1.654 -1.378) 2.152 32.408 ( -0.000 -1.249 -0.361) 1.300 36.652 ( -0.000 1.316 -0.781) 1.530 37.115 ( -0.000 -1.398 0.216) 1.415 69.838 ( 0.000 -0.022 -0.696) 0.696 72.091 ( -0.000 -0.024 0.080) 0.083 72.092 ( -0.000 0.055 0.007) 0.056 72.951 ( 0.000 -0.020 0.470) 0.471 ======================= Grid point 343 (100/120) ======================= q-point: (-0.40 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( 5.047 4.109 0.000) 6.508 3.519 ( -8.668 7.011 0.000) 11.148 4.126 ( 1.485 -5.088 -0.000) 5.300 4.521 ( 22.557 28.998 0.000) 36.739 5.235 ( -38.970 42.119 0.000) 57.382 8.367 ( 3.436 -13.672 -0.000) 14.097 9.962 ( -0.678 -19.162 -0.000) 19.174 10.308 ( 6.376 2.891 0.000) 7.001 11.153 ( 4.846 -10.763 -0.000) 11.804 31.774 ( -0.950 0.179 0.000) 0.966 31.809 ( -0.111 2.332 0.000) 2.335 32.386 ( 0.540 -1.672 -0.000) 1.757 36.669 ( -0.660 1.831 0.000) 1.946 37.094 ( 0.618 -1.898 -0.000) 1.996 69.834 ( -0.070 0.015 0.000) 0.072 72.089 ( 0.225 -0.049 -0.000) 0.230 72.095 ( -0.258 0.081 0.000) 0.270 72.953 ( 0.089 -0.052 -0.000) 0.104 ======================= Grid point 523 (101/120) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -0.000 9.689 16.317) 18.977 2.748 ( -0.000 13.691 15.794) 20.902 4.254 ( -0.000 6.587 10.380) 12.293 5.256 ( -0.000 -0.404 8.098) 8.108 5.709 ( -0.000 32.666 -6.230) 33.255 7.013 ( -0.000 -1.266 9.627) 9.710 8.447 ( -0.000 -4.122 32.799) 33.057 8.500 ( -0.000 6.207 40.594) 41.066 9.803 ( -0.000 15.127 27.220) 31.141 32.051 ( 0.000 -1.912 -5.230) 5.569 32.104 ( 0.000 -0.270 -5.926) 5.932 32.442 ( 0.000 -2.643 -1.630) 3.105 36.842 ( 0.000 1.425 -2.960) 3.286 37.020 ( 0.000 -2.279 1.162) 2.558 69.973 ( 0.000 -1.129 -2.873) 3.086 72.078 ( -0.000 -0.022 0.190) 0.191 72.096 ( -0.000 0.552 0.082) 0.558 72.852 ( -0.000 0.401 2.022) 2.061 ======================= Grid point 524 (102/120) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 5.508 7.610 13.615) 16.541 3.065 ( -2.173 8.866 13.695) 16.458 4.404 ( -3.596 4.388 1.172) 5.793 5.274 ( 11.399 -1.046 10.260) 15.372 5.991 ( 6.810 21.809 3.359) 23.093 7.254 ( -19.003 14.956 1.932) 24.260 8.545 ( 25.394 -0.716 33.600) 42.123 9.193 ( -20.348 5.044 30.294) 36.841 10.173 ( -1.452 3.540 18.845) 19.230 31.979 ( -0.171 -1.364 -4.412) 4.622 32.037 ( 0.269 -0.301 -5.065) 5.081 32.393 ( 0.402 -2.578 -1.360) 2.942 36.830 ( -0.353 1.662 -2.743) 3.226 37.004 ( 0.330 -2.388 1.093) 2.647 69.931 ( 0.034 -0.987 -2.453) 2.644 72.081 ( -0.221 -0.052 0.137) 0.265 72.102 ( -0.009 0.452 -0.022) 0.452 72.877 ( 0.186 0.406 1.832) 1.886 ======================= Grid point 525 (103/120) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 5.823 4.995 10.741) 13.199 3.293 ( 1.169 5.215 11.936) 13.078 4.460 ( -5.953 1.286 -5.843) 8.440 5.238 ( 14.897 0.318 11.173) 18.624 6.108 ( 16.541 7.486 13.864) 22.844 7.745 ( -26.535 22.585 -3.019) 34.976 8.611 ( 24.038 -1.152 28.665) 37.428 9.700 ( -10.315 6.720 16.894) 20.903 10.352 ( -2.791 -5.641 12.197) 13.725 31.928 ( -0.747 -0.700 -3.569) 3.713 31.983 ( 0.162 -0.259 -3.477) 3.491 32.349 ( 0.410 -1.937 -0.961) 2.201 36.825 ( -0.794 1.441 -2.375) 2.889 36.987 ( 0.534 -1.926 1.000) 2.235 69.898 ( -0.195 -0.670 -1.875) 2.000 72.084 ( -0.315 -0.059 0.037) 0.323 72.106 ( -0.034 0.304 -0.110) 0.325 72.897 ( 0.476 0.299 1.546) 1.645 ======================= Grid point 526 (104/120) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 6.479 1.727 8.192) 10.586 3.418 ( 5.483 1.883 9.517) 11.144 4.457 ( -8.379 -0.033 -9.168) 12.421 5.209 ( 15.124 0.354 13.339) 20.170 6.136 ( 18.982 1.661 18.212) 26.358 8.166 ( -19.156 11.940 -7.166) 23.683 8.613 ( 23.098 -2.136 22.751) 32.491 9.942 ( -2.727 3.731 3.344) 5.704 10.413 ( 0.257 -4.691 7.562) 8.902 31.901 ( -1.734 -0.191 -2.747) 3.254 31.953 ( -0.387 -0.106 -1.653) 1.701 32.323 ( 0.065 -0.729 -0.456) 0.863 36.825 ( -1.324 0.595 -1.885) 2.379 36.974 ( 0.704 -0.766 0.870) 1.356 69.880 ( -0.644 -0.237 -1.237) 1.414 72.087 ( -0.262 -0.028 -0.112) 0.287 72.107 ( -0.085 0.110 -0.131) 0.191 72.907 ( 0.828 0.109 1.199) 1.461 ======================= Grid point 539 (105/120) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -0.000 7.857 13.998) 16.053 3.072 ( -0.000 10.427 12.958) 16.632 4.353 ( -0.000 1.939 -0.733) 2.073 5.349 ( -0.000 19.181 -0.563) 19.189 5.561 ( -0.000 36.841 -6.214) 37.361 7.351 ( -0.000 -19.421 20.009) 27.884 9.088 ( -0.000 -5.420 24.180) 24.780 9.358 ( -0.000 4.702 34.309) 34.629 10.369 ( -0.000 1.399 22.654) 22.698 31.937 ( 0.000 -0.742 -4.894) 4.950 31.979 ( 0.000 0.647 -5.008) 5.050 32.409 ( 0.000 -2.393 -1.338) 2.741 36.777 ( 0.000 1.754 -2.766) 3.276 37.045 ( 0.000 -2.284 0.973) 2.483 69.912 ( 0.000 -0.632 -2.522) 2.600 72.082 ( -0.000 -0.078 0.189) 0.205 72.097 ( -0.000 0.421 -0.008) 0.421 72.896 ( -0.000 0.177 1.826) 1.835 ======================= Grid point 540 (106/120) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 6.357 5.118 11.555) 14.146 3.335 ( -4.215 6.397 10.460) 12.966 4.334 ( -2.278 -0.102 -6.777) 7.151 5.381 ( 26.362 25.207 0.330) 36.476 6.115 ( -20.630 24.491 5.685) 32.523 7.421 ( -8.340 -7.614 13.077) 17.279 9.159 ( 12.642 -7.591 19.483) 24.434 9.787 ( -2.963 4.695 23.219) 23.873 10.549 ( -1.301 -6.998 14.448) 16.106 31.883 ( -0.522 -0.380 -4.062) 4.113 31.940 ( -0.007 0.957 -3.410) 3.542 32.367 ( 0.363 -2.254 -0.972) 2.482 36.772 ( -0.507 1.904 -2.296) 3.026 37.026 ( 0.406 -2.292 0.826) 2.470 69.881 ( -0.084 -0.457 -1.935) 1.990 72.084 ( -0.094 -0.086 0.136) 0.186 72.100 ( -0.051 0.315 -0.108) 0.337 72.915 ( 0.200 0.143 1.500) 1.520 ======================= Grid point 541 (107/120) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 6.955 2.680 8.766) 11.506 3.529 ( -0.884 2.561 9.388) 9.771 4.266 ( -5.424 -0.772 -10.747) 12.063 5.383 ( 27.925 26.500 2.712) 38.593 6.539 ( -4.788 -3.489 21.833) 22.623 7.673 ( -20.740 10.156 -2.916) 23.277 9.097 ( 11.602 -10.391 12.608) 20.038 10.018 ( 5.757 3.338 13.667) 15.201 10.580 ( 1.436 -8.679 7.180) 11.355 31.852 ( -1.481 -0.083 -2.969) 3.319 31.924 ( -0.246 1.083 -1.805) 2.119 32.332 ( 0.358 -1.498 -0.560) 1.639 36.778 ( -1.059 1.579 -1.715) 2.560 37.005 ( 0.685 -1.728 0.657) 1.972 69.862 ( -0.390 -0.168 -1.287) 1.356 72.085 ( -0.045 -0.045 0.016) 0.066 72.103 ( -0.161 0.161 -0.125) 0.260 72.927 ( 0.498 0.020 1.114) 1.220 ======================= Grid point 542 (108/120) ======================= q-point: (-0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( 7.965 0.747 5.937) 9.962 3.597 ( 4.829 -3.303 6.419) 8.685 4.237 ( -9.804 1.752 -9.324) 13.642 5.406 ( 27.177 25.054 4.580) 37.247 6.675 ( 3.632 -20.524 28.022) 34.924 7.877 ( -17.045 0.799 -17.564) 24.488 9.005 ( 8.094 -5.380 9.991) 13.938 10.072 ( 10.606 -0.072 9.619) 14.318 10.484 ( 9.335 -2.340 -1.769) 9.785 31.849 ( -2.594 0.175 -1.727) 3.121 31.928 ( -0.873 0.857 -0.662) 1.391 32.316 ( 0.011 -0.174 -0.174) 0.246 36.791 ( -1.635 0.671 -1.088) 2.075 36.990 ( 0.890 -0.533 0.466) 1.137 69.858 ( -0.866 0.184 -0.687) 1.121 72.084 ( 0.062 0.021 -0.105) 0.124 72.105 ( -0.248 -0.014 -0.074) 0.259 72.929 ( 0.853 -0.153 0.705) 1.117 ======================= Grid point 543 (109/120) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 9.671 -0.600 3.208) 10.207 3.499 ( 8.172 -7.995 1.753) 11.566 4.306 ( -9.783 2.592 -4.042) 10.898 5.429 ( 25.167 21.843 4.426) 33.616 6.648 ( 3.221 -28.973 22.385) 36.755 7.653 ( -7.103 -18.818 -21.842) 29.693 9.022 ( 10.759 2.956 10.406) 15.257 9.935 ( 20.374 -8.440 1.553) 22.107 10.354 ( 11.129 8.973 -3.710) 14.769 31.873 ( -3.453 0.456 -0.651) 3.543 31.948 ( -2.100 0.498 -0.095) 2.160 32.325 ( -0.505 1.264 0.061) 1.363 36.804 ( -2.164 -0.570 -0.490) 2.291 36.985 ( 1.037 0.986 0.249) 1.453 69.870 ( -1.431 0.534 -0.233) 1.545 72.082 ( 0.130 0.065 -0.121) 0.189 72.106 ( -0.234 -0.174 -0.025) 0.293 72.920 ( 1.223 -0.317 0.317) 1.303 ======================= Grid point 544 (110/120) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 11.768 -2.194 -0.000) 11.971 3.299 ( 10.212 -10.150 -0.000) 14.398 4.387 ( -5.274 -0.322 0.000) 5.283 5.413 ( 21.188 15.970 0.000) 26.533 6.403 ( -1.559 -36.104 -0.000) 36.137 7.326 ( -0.214 -18.349 -0.000) 18.350 8.973 ( 19.968 4.178 0.000) 20.401 9.512 ( 31.995 -9.487 -0.000) 33.372 10.313 ( 11.680 6.200 0.000) 13.224 31.919 ( -3.918 0.846 0.000) 4.009 31.985 ( -3.768 0.318 0.000) 3.782 32.354 ( -0.995 2.247 0.000) 2.457 36.816 ( -2.544 -1.472 -0.000) 2.939 36.993 ( 1.095 2.097 0.000) 2.365 69.895 ( -1.992 0.820 0.000) 2.154 72.081 ( 0.148 0.073 0.000) 0.166 72.105 ( -0.141 -0.318 -0.000) 0.348 72.902 ( 1.564 -0.415 -0.000) 1.618 ======================= Grid point 555 (111/120) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 0.000 6.279 11.531) 13.130 3.320 ( 0.000 6.906 8.951) 11.305 4.258 ( 0.000 -1.888 -6.827) 7.083 5.285 ( -0.000 33.790 -3.214) 33.943 5.437 ( 0.000 40.387 -5.200) 40.721 7.823 ( 0.000 -23.425 19.852) 30.706 9.509 ( 0.000 -13.222 13.355) 18.793 9.998 ( -0.000 4.023 22.309) 22.669 10.795 ( -0.000 -7.820 14.954) 16.875 31.838 ( 0.000 -0.099 -3.741) 3.742 31.888 ( -0.000 1.738 -3.050) 3.511 32.384 ( -0.000 -2.140 -0.882) 2.315 36.723 ( 0.000 2.003 -1.983) 2.819 37.063 ( 0.000 -2.266 0.631) 2.352 69.864 ( -0.000 -0.246 -1.723) 1.740 72.087 ( 0.000 -0.089 0.176) 0.197 72.096 ( -0.000 0.245 -0.074) 0.256 72.931 ( -0.000 0.041 1.265) 1.266 ======================= Grid point 556 (112/120) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( 7.875 3.967 7.781) 11.760 3.539 ( -7.390 4.609 7.965) 11.802 4.136 ( -0.941 -3.604 -9.767) 10.453 5.361 ( 33.032 37.763 -1.150) 50.184 6.193 ( -35.324 37.293 1.505) 51.389 7.759 ( -0.363 -22.736 14.230) 26.824 9.413 ( 1.718 -18.517 4.666) 19.173 10.222 ( 6.182 4.543 14.643) 16.531 10.800 ( 2.584 -11.171 7.627) 13.771 31.807 ( -0.884 0.046 -2.480) 2.633 31.885 ( -0.132 2.067 -1.615) 2.627 32.350 ( 0.339 -1.965 -0.510) 2.059 36.731 ( -0.598 2.083 -1.317) 2.536 37.041 ( 0.451 -2.223 0.437) 2.310 69.847 ( -0.161 -0.100 -1.066) 1.082 72.087 ( 0.111 -0.059 0.114) 0.170 72.098 ( -0.190 0.142 -0.116) 0.264 72.942 ( 0.201 -0.007 0.841) 0.865 ======================= Grid point 557 (113/120) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 8.474 2.337 3.818) 9.583 3.727 ( -2.493 -0.880 8.222) 8.637 4.018 ( -5.886 -0.444 -10.109) 11.706 5.410 ( 32.531 36.860 0.313) 49.163 6.941 ( -25.196 18.717 11.074) 33.284 7.620 ( -3.820 -20.119 -1.579) 20.539 9.212 ( -0.912 -18.440 0.521) 18.470 10.305 ( 11.531 5.151 9.383) 15.734 10.652 ( 9.953 -10.520 -0.144) 14.483 31.804 ( -1.979 0.177 -1.125) 2.283 31.898 ( -0.438 1.853 -0.556) 1.984 32.324 ( 0.335 -1.198 -0.184) 1.257 36.752 ( -1.190 1.676 -0.628) 2.149 37.015 ( 0.759 -1.627 0.228) 1.809 69.842 ( -0.494 0.107 -0.458) 0.682 72.085 ( 0.214 -0.001 0.003) 0.214 72.101 ( -0.331 0.030 -0.051) 0.336 72.944 ( 0.498 -0.116 0.405) 0.652 ======================= Grid point 558 (114/120) ======================= q-point: (-0.27 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( 9.100 1.133 0.000) 9.170 3.681 ( 5.398 -8.293 -0.000) 9.895 4.111 ( -11.864 4.979 0.000) 12.866 5.451 ( 30.443 32.467 0.000) 44.507 7.186 ( 2.095 -28.464 -0.000) 28.541 7.496 ( -17.561 -3.155 -0.000) 17.842 9.099 ( -2.249 -5.568 -0.000) 6.005 10.286 ( 15.739 -0.963 -0.000) 15.769 10.375 ( 15.475 -0.993 -0.000) 15.507 31.829 ( -2.937 0.305 0.000) 2.953 31.921 ( -1.036 1.163 0.000) 1.557 32.314 ( -0.004 0.052 0.000) 0.052 36.778 ( -1.738 0.706 0.000) 1.876 36.995 ( 0.952 -0.451 -0.000) 1.054 69.850 ( -0.942 0.333 0.000) 0.999 72.083 ( 0.204 0.042 0.000) 0.208 72.104 ( -0.325 -0.067 -0.000) 0.332 72.937 ( 0.854 -0.240 -0.000) 0.887 ======================= Grid point 571 (115/120) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( -0.000 6.541 4.112) 7.727 3.478 ( 0.000 4.315 5.235) 6.784 4.102 ( 0.000 -5.502 -5.316) 7.651 5.252 ( 0.000 40.883 0.252) 40.884 5.333 ( -0.000 42.899 -3.575) 43.047 8.153 ( 0.000 -20.243 8.186) 21.835 9.696 ( 0.000 -21.973 3.841) 22.306 10.338 ( -0.000 3.800 7.720) 8.604 11.024 ( 0.000 -11.563 5.249) 12.699 31.779 ( -0.000 0.143 -1.390) 1.398 31.842 ( 0.000 2.503 -1.024) 2.704 32.370 ( 0.000 -1.991 -0.308) 2.015 36.692 ( -0.000 2.137 -0.723) 2.256 37.072 ( 0.000 -2.251 0.217) 2.262 69.837 ( 0.000 -0.036 -0.611) 0.613 72.090 ( -0.000 -0.039 0.147) 0.152 72.094 ( -0.000 0.082 -0.114) 0.141 72.950 ( -0.000 -0.022 0.452) 0.453 ======================= Grid point 572 (116/120) ======================= q-point: (-0.33 -0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 8.686 4.056 0.000) 9.586 3.660 ( -10.596 5.507 0.000) 11.941 3.987 ( 1.204 -6.855 -0.000) 6.960 5.347 ( 35.003 41.168 0.000) 54.037 6.206 ( -39.146 41.690 0.000) 57.188 7.938 ( 1.875 -24.973 -0.000) 25.044 9.449 ( -1.027 -24.716 -0.000) 24.738 10.395 ( 6.076 4.911 0.000) 7.813 10.885 ( 5.863 -12.281 -0.000) 13.608 31.779 ( -1.029 0.172 0.000) 1.043 31.867 ( -0.173 2.493 0.000) 2.499 32.345 ( 0.332 -1.853 -0.000) 1.883 36.716 ( -0.628 2.148 0.000) 2.238 37.045 ( 0.466 -2.198 -0.000) 2.247 69.835 ( -0.188 0.027 0.000) 0.190 72.088 ( 0.296 -0.010 -0.000) 0.296 72.096 ( -0.350 0.037 0.000) 0.352 72.952 ( 0.200 -0.056 -0.000) 0.207 ======================= Grid point 785 (117/120) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 0.000 0.250 10.770) 10.773 3.490 ( -0.000 8.432 6.687) 10.762 4.203 ( 0.000 -3.197 -10.385) 10.866 5.846 ( -0.000 6.076 15.838) 16.964 6.369 ( 0.000 40.886 -1.551) 40.915 7.408 ( 0.000 -6.124 7.450) 9.644 9.218 ( -0.000 -11.849 2.882) 12.195 10.119 ( 0.000 6.929 21.447) 22.539 10.575 ( -0.000 -10.997 11.110) 15.632 31.835 ( 0.000 -0.200 -3.325) 3.331 31.921 ( -0.000 0.974 -1.949) 2.179 32.337 ( -0.000 -1.798 -0.577) 1.889 36.766 ( 0.000 1.588 -1.814) 2.411 37.013 ( -0.000 -1.873 0.713) 2.004 69.857 ( 0.000 -0.316 -1.364) 1.400 72.085 ( 0.000 -0.087 0.194) 0.213 72.101 ( 0.000 0.201 -0.237) 0.311 72.933 ( 0.000 0.138 1.114) 1.123 ======================= Grid point 786 (118/120) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 5.571 -0.217 8.900) 10.502 3.647 ( -0.179 4.980 5.114) 7.140 4.058 ( -4.809 -3.167 -11.477) 12.841 5.954 ( 16.751 1.215 18.496) 24.984 6.773 ( 5.356 17.975 9.084) 20.840 7.457 ( -16.637 -0.156 -10.644) 19.751 9.073 ( 0.376 -7.920 -2.948) 8.459 10.338 ( 9.755 4.502 14.717) 18.222 10.579 ( -0.282 -6.421 7.015) 9.514 31.807 ( -0.996 -0.063 -2.218) 2.432 31.916 ( -0.256 0.427 -0.869) 1.002 32.317 ( 0.047 -0.704 -0.191) 0.731 36.765 ( -0.594 0.635 -1.225) 1.503 37.003 ( 0.313 -0.740 0.549) 0.973 69.844 ( -0.309 -0.113 -0.790) 0.856 72.086 ( 0.052 -0.041 0.174) 0.186 72.100 ( -0.132 0.074 -0.263) 0.304 72.942 ( 0.317 0.056 0.704) 0.774 ======================= Grid point 801 (119/120) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( 0.000 0.791 8.124) 8.163 3.592 ( 0.000 7.270 2.246) 7.609 3.970 ( 0.000 -5.933 -8.638) 10.480 6.093 ( 0.000 28.053 6.129) 28.715 6.328 ( -0.000 44.137 -1.884) 44.177 7.593 ( -0.000 -28.416 6.280) 29.101 9.195 ( 0.000 -19.806 -2.362) 19.946 10.447 ( 0.000 6.018 7.499) 9.615 10.762 ( 0.000 -10.946 4.669) 11.900 31.781 ( 0.000 0.067 -1.267) 1.269 31.893 ( 0.000 1.724 -0.603) 1.826 32.328 ( 0.000 -1.489 -0.189) 1.501 36.738 ( 0.000 1.675 -0.660) 1.800 37.024 ( 0.000 -1.758 0.246) 1.775 69.836 ( -0.000 -0.041 -0.485) 0.487 72.089 ( 0.000 -0.039 0.229) 0.233 72.095 ( -0.000 0.067 -0.253) 0.261 72.950 ( 0.000 -0.001 0.403) 0.403 ======================= Grid point 802 (120/120) ======================= q-point: (-0.27 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( 10.251 2.494 0.000) 10.550 3.728 ( -3.688 -2.280 -0.000) 4.335 3.875 ( -6.141 0.073 0.000) 6.142 6.162 ( 29.600 24.291 0.000) 38.291 6.983 ( -23.116 27.087 0.000) 35.610 7.245 ( -0.073 -36.658 -0.000) 36.658 9.021 ( -2.636 -8.061 -0.000) 8.481 10.527 ( 5.687 5.788 0.000) 8.114 10.644 ( 6.585 -7.538 -0.000) 10.009 31.781 ( -1.139 0.066 0.000) 1.141 31.906 ( -0.306 0.729 0.000) 0.790 32.315 ( 0.044 -0.474 -0.000) 0.477 36.751 ( -0.629 0.664 0.000) 0.915 37.009 ( 0.334 -0.652 -0.000) 0.732 69.835 ( -0.335 0.037 0.000) 0.337 72.089 ( 0.291 0.022 -0.000) 0.291 72.096 ( -0.345 -0.020 0.000) 0.346 72.950 ( 0.315 -0.033 -0.000) 0.316 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/60750 10.0 593.604 593.604 593.604 0.000 -0.000 -0.000 3/60750 20.0 193.108 193.108 193.108 0.000 -0.000 -0.000 3/60750 30.0 60.162 60.162 60.162 0.000 -0.000 -0.000 3/60750 40.0 26.450 26.450 26.450 0.000 -0.000 -0.000 3/60750 50.0 14.948 14.948 14.948 0.000 -0.000 -0.000 3/60750 60.0 9.868 9.868 9.868 0.000 -0.000 -0.000 3/60750 70.0 7.200 7.200 7.200 0.000 -0.000 -0.000 3/60750 80.0 5.625 5.625 5.625 0.000 -0.000 -0.000 3/60750 90.0 4.613 4.613 4.613 0.000 -0.000 -0.000 3/60750 100.0 3.916 3.916 3.916 0.000 -0.000 -0.000 3/60750 110.0 3.412 3.412 3.412 0.000 -0.000 -0.000 3/60750 120.0 3.031 3.031 3.031 0.000 -0.000 -0.000 3/60750 130.0 2.733 2.733 2.733 0.000 -0.000 -0.000 3/60750 140.0 2.493 2.493 2.493 0.000 -0.000 -0.000 3/60750 150.0 2.295 2.295 2.295 0.000 -0.000 -0.000 3/60750 160.0 2.129 2.129 2.129 0.000 -0.000 -0.000 3/60750 170.0 1.987 1.987 1.987 0.000 -0.000 -0.000 3/60750 180.0 1.865 1.865 1.865 0.000 -0.000 -0.000 3/60750 190.0 1.757 1.757 1.757 0.000 -0.000 -0.000 3/60750 200.0 1.662 1.662 1.662 0.000 -0.000 -0.000 3/60750 210.0 1.578 1.578 1.578 0.000 -0.000 -0.000 3/60750 220.0 1.502 1.502 1.502 0.000 -0.000 -0.000 3/60750 230.0 1.433 1.433 1.433 0.000 -0.000 -0.000 3/60750 240.0 1.371 1.371 1.371 0.000 -0.000 -0.000 3/60750 250.0 1.314 1.314 1.314 0.000 -0.000 -0.000 3/60750 260.0 1.262 1.262 1.262 0.000 -0.000 -0.000 3/60750 270.0 1.213 1.213 1.213 0.000 -0.000 -0.000 3/60750 280.0 1.169 1.169 1.169 0.000 -0.000 -0.000 3/60750 290.0 1.128 1.128 1.128 0.000 -0.000 -0.000 3/60750 300.0 1.090 1.090 1.090 0.000 -0.000 -0.000 3/60750 310.0 1.054 1.054 1.054 0.000 -0.000 -0.000 3/60750 320.0 1.020 1.020 1.020 0.000 -0.000 -0.000 3/60750 330.0 0.989 0.989 0.989 0.000 -0.000 -0.000 3/60750 340.0 0.960 0.960 0.960 0.000 -0.000 -0.000 3/60750 350.0 0.932 0.932 0.932 0.000 -0.000 -0.000 3/60750 360.0 0.906 0.906 0.906 0.000 -0.000 -0.000 3/60750 370.0 0.881 0.881 0.881 0.000 -0.000 -0.000 3/60750 380.0 0.858 0.858 0.858 0.000 -0.000 -0.000 3/60750 390.0 0.836 0.836 0.836 0.000 -0.000 -0.000 3/60750 400.0 0.815 0.815 0.815 0.000 -0.000 -0.000 3/60750 410.0 0.795 0.795 0.795 0.000 -0.000 -0.000 3/60750 420.0 0.776 0.776 0.776 0.000 -0.000 -0.000 3/60750 430.0 0.758 0.758 0.758 0.000 -0.000 -0.000 3/60750 440.0 0.741 0.741 0.741 0.000 -0.000 -0.000 3/60750 450.0 0.724 0.724 0.724 0.000 -0.000 -0.000 3/60750 460.0 0.709 0.709 0.709 0.000 -0.000 -0.000 3/60750 470.0 0.693 0.693 0.693 0.000 -0.000 -0.000 3/60750 480.0 0.679 0.679 0.679 0.000 -0.000 -0.000 3/60750 490.0 0.665 0.665 0.665 0.000 -0.000 -0.000 3/60750 500.0 0.652 0.652 0.652 0.000 -0.000 -0.000 3/60750 510.0 0.639 0.639 0.639 0.000 -0.000 -0.000 3/60750 520.0 0.627 0.627 0.627 0.000 -0.000 -0.000 3/60750 530.0 0.615 0.615 0.615 0.000 -0.000 -0.000 3/60750 540.0 0.604 0.604 0.604 0.000 -0.000 -0.000 3/60750 550.0 0.593 0.593 0.593 0.000 -0.000 -0.000 3/60750 560.0 0.582 0.582 0.582 0.000 -0.000 -0.000 3/60750 570.0 0.572 0.572 0.572 0.000 -0.000 -0.000 3/60750 580.0 0.562 0.562 0.562 0.000 -0.000 -0.000 3/60750 590.0 0.553 0.553 0.553 0.000 -0.000 -0.000 3/60750 600.0 0.544 0.544 0.544 0.000 -0.000 -0.000 3/60750 610.0 0.535 0.535 0.535 0.000 -0.000 -0.000 3/60750 620.0 0.526 0.526 0.526 0.000 -0.000 -0.000 3/60750 630.0 0.518 0.518 0.518 0.000 -0.000 -0.000 3/60750 640.0 0.510 0.510 0.510 0.000 -0.000 -0.000 3/60750 650.0 0.502 0.502 0.502 0.000 -0.000 -0.000 3/60750 660.0 0.494 0.494 0.494 0.000 -0.000 -0.000 3/60750 670.0 0.487 0.487 0.487 0.000 -0.000 -0.000 3/60750 680.0 0.480 0.480 0.480 0.000 -0.000 -0.000 3/60750 690.0 0.473 0.473 0.473 0.000 -0.000 -0.000 3/60750 700.0 0.466 0.466 0.466 0.000 -0.000 -0.000 3/60750 710.0 0.460 0.460 0.460 0.000 -0.000 -0.000 3/60750 720.0 0.453 0.453 0.453 0.000 -0.000 -0.000 3/60750 730.0 0.447 0.447 0.447 0.000 -0.000 -0.000 3/60750 740.0 0.441 0.441 0.441 0.000 -0.000 -0.000 3/60750 750.0 0.435 0.435 0.435 0.000 -0.000 -0.000 3/60750 760.0 0.429 0.429 0.429 0.000 -0.000 -0.000 3/60750 770.0 0.424 0.424 0.424 0.000 -0.000 -0.000 3/60750 780.0 0.419 0.419 0.419 0.000 -0.000 -0.000 3/60750 790.0 0.413 0.413 0.413 0.000 -0.000 -0.000 3/60750 800.0 0.408 0.408 0.408 0.000 -0.000 -0.000 3/60750 810.0 0.403 0.403 0.403 0.000 -0.000 -0.000 3/60750 820.0 0.398 0.398 0.398 0.000 -0.000 -0.000 3/60750 830.0 0.393 0.393 0.393 0.000 -0.000 -0.000 3/60750 840.0 0.389 0.389 0.389 0.000 -0.000 -0.000 3/60750 850.0 0.384 0.384 0.384 0.000 -0.000 -0.000 3/60750 860.0 0.380 0.380 0.380 0.000 -0.000 -0.000 3/60750 870.0 0.375 0.375 0.375 0.000 -0.000 -0.000 3/60750 880.0 0.371 0.371 0.371 0.000 -0.000 -0.000 3/60750 890.0 0.367 0.367 0.367 0.000 -0.000 -0.000 3/60750 900.0 0.363 0.363 0.363 0.000 -0.000 -0.000 3/60750 910.0 0.359 0.359 0.359 0.000 -0.000 -0.000 3/60750 920.0 0.355 0.355 0.355 0.000 -0.000 -0.000 3/60750 930.0 0.351 0.351 0.351 0.000 -0.000 -0.000 3/60750 940.0 0.348 0.348 0.348 0.000 -0.000 -0.000 3/60750 950.0 0.344 0.344 0.344 0.000 -0.000 -0.000 3/60750 960.0 0.340 0.340 0.340 0.000 -0.000 -0.000 3/60750 970.0 0.337 0.337 0.337 0.000 -0.000 -0.000 3/60750 980.0 0.333 0.333 0.333 0.000 -0.000 -0.000 3/60750 990.0 0.330 0.330 0.330 0.000 -0.000 -0.000 3/60750 1000.0 0.327 0.327 0.327 0.000 -0.000 -0.000 3/60750 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:38:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|