----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:13:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.027040510000000 5.194943920000000 2.960883705000000 b 3.027040510000000 -5.194943920000000 2.960883705000000 c 3.027040510000000 5.194943920000000 -2.960883705000000 Atomic positions (fractional): *1 O 0.61135338334215 0.71239112247963 0.32374450582178 15.999 2 O 0.11135338334215 0.78760887752037 0.89896226086252 15.999 3 O 0.88864661665785 0.21239112247963 0.10103773913748 15.999 4 O 0.38864661665785 0.28760887752037 0.67625549417822 15.999 *5 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 6 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 *7 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 8 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 9 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 *10 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 11 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 12 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.054081020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.389887840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.921767410000000 Atomic positions (fractional): *1 O 0.21239112247963 0.11135338334215 0.50000000000000 15.999 > 1 2 O 0.78760887752037 0.11135338334215 0.00000000000000 15.999 > 2 3 O 0.71239112247963 0.38864661665785 0.50000000000000 15.999 > 3 4 O 0.28760887752037 0.38864661665785 0.00000000000000 15.999 > 4 5 O 0.71239112247963 0.61135338334215 0.00000000000000 15.999 > 1 6 O 0.28760887752037 0.61135338334215 0.50000000000000 15.999 > 2 7 O 0.21239112247963 0.88864661665785 0.00000000000000 15.999 > 3 8 O 0.78760887752037 0.88864661665785 0.50000000000000 15.999 > 4 *9 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 5 10 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 6 11 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 5 12 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 6 *13 Ag 0.75000000000000 0.25000000000000 0.75000000000000 107.868 > 7 14 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 > 8 15 Ag 0.75000000000000 0.25000000000000 0.25000000000000 107.868 > 9 *16 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 10 17 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 11 18 Ag 0.25000000000000 0.25000000000000 0.75000000000000 107.868 > 12 19 Ag 0.25000000000000 0.75000000000000 0.25000000000000 107.868 > 7 20 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 > 8 21 Ag 0.25000000000000 0.75000000000000 0.75000000000000 107.868 > 9 22 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 10 23 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 11 24 Ag 0.75000000000000 0.75000000000000 0.25000000000000 107.868 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.108162040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.389887840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.843534820000000 Atomic positions (fractional): *1 O 0.10619556123981 0.11135338334215 0.25000000000000 15.999 > 1 2 O 0.60619556123981 0.11135338334215 0.25000000000000 15.999 > 1 3 O 0.10619556123981 0.11135338334215 0.75000000000000 15.999 > 1 4 O 0.60619556123981 0.11135338334215 0.75000000000000 15.999 > 1 5 O 0.39380443876019 0.11135338334215 0.00000000000000 15.999 > 2 6 O 0.89380443876019 0.11135338334215 0.00000000000000 15.999 > 2 7 O 0.39380443876019 0.11135338334215 0.50000000000000 15.999 > 2 8 O 0.89380443876019 0.11135338334215 0.50000000000000 15.999 > 2 9 O 0.35619556123981 0.38864661665785 0.25000000000000 15.999 > 3 10 O 0.85619556123981 0.38864661665785 0.25000000000000 15.999 > 3 11 O 0.35619556123981 0.38864661665785 0.75000000000000 15.999 > 3 12 O 0.85619556123981 0.38864661665785 0.75000000000000 15.999 > 3 13 O 0.14380443876019 0.38864661665785 0.00000000000000 15.999 > 4 14 O 0.64380443876019 0.38864661665785 0.00000000000000 15.999 > 4 15 O 0.14380443876019 0.38864661665785 0.50000000000000 15.999 > 4 16 O 0.64380443876019 0.38864661665785 0.50000000000000 15.999 > 4 17 O 0.35619556123981 0.61135338334215 0.00000000000000 15.999 > 1 18 O 0.85619556123981 0.61135338334215 0.00000000000000 15.999 > 1 19 O 0.35619556123981 0.61135338334215 0.50000000000000 15.999 > 1 20 O 0.85619556123981 0.61135338334215 0.50000000000000 15.999 > 1 21 O 0.14380443876019 0.61135338334215 0.25000000000000 15.999 > 2 22 O 0.64380443876019 0.61135338334215 0.25000000000000 15.999 > 2 23 O 0.14380443876019 0.61135338334215 0.75000000000000 15.999 > 2 24 O 0.64380443876019 0.61135338334215 0.75000000000000 15.999 > 2 25 O 0.10619556123981 0.88864661665785 0.00000000000000 15.999 > 3 26 O 0.60619556123981 0.88864661665785 0.00000000000000 15.999 > 3 27 O 0.10619556123981 0.88864661665785 0.50000000000000 15.999 > 3 28 O 0.60619556123981 0.88864661665785 0.50000000000000 15.999 > 3 29 O 0.39380443876019 0.88864661665785 0.25000000000000 15.999 > 4 30 O 0.89380443876019 0.88864661665785 0.25000000000000 15.999 > 4 31 O 0.39380443876019 0.88864661665785 0.75000000000000 15.999 > 4 32 O 0.89380443876019 0.88864661665785 0.75000000000000 15.999 > 4 *33 Na 0.00000000000000 0.00000000000000 0.37500000000000 22.990 > 5 34 Na 0.50000000000000 0.00000000000000 0.37500000000000 22.990 > 5 35 Na 0.00000000000000 0.00000000000000 0.87500000000000 22.990 > 5 36 Na 0.50000000000000 0.00000000000000 0.87500000000000 22.990 > 5 37 Na 0.00000000000000 0.00000000000000 0.12500000000000 22.990 > 6 38 Na 0.50000000000000 0.00000000000000 0.12500000000000 22.990 > 6 39 Na 0.00000000000000 0.00000000000000 0.62500000000000 22.990 > 6 40 Na 0.50000000000000 0.00000000000000 0.62500000000000 22.990 > 6 41 Na 0.25000000000000 0.50000000000000 0.12500000000000 22.990 > 5 42 Na 0.75000000000000 0.50000000000000 0.12500000000000 22.990 > 5 43 Na 0.25000000000000 0.50000000000000 0.62500000000000 22.990 > 5 44 Na 0.75000000000000 0.50000000000000 0.62500000000000 22.990 > 5 45 Na 0.25000000000000 0.50000000000000 0.37500000000000 22.990 > 6 46 Na 0.75000000000000 0.50000000000000 0.37500000000000 22.990 > 6 47 Na 0.25000000000000 0.50000000000000 0.87500000000000 22.990 > 6 48 Na 0.75000000000000 0.50000000000000 0.87500000000000 22.990 > 6 *49 Ag 0.37500000000000 0.25000000000000 0.37500000000000 107.868 > 7 50 Ag 0.87500000000000 0.25000000000000 0.37500000000000 107.868 > 7 51 Ag 0.37500000000000 0.25000000000000 0.87500000000000 107.868 > 7 52 Ag 0.87500000000000 0.25000000000000 0.87500000000000 107.868 > 7 53 Ag 0.12500000000000 0.25000000000000 0.12500000000000 107.868 > 8 54 Ag 0.62500000000000 0.25000000000000 0.12500000000000 107.868 > 8 55 Ag 0.12500000000000 0.25000000000000 0.62500000000000 107.868 > 8 56 Ag 0.62500000000000 0.25000000000000 0.62500000000000 107.868 > 8 57 Ag 0.37500000000000 0.25000000000000 0.12500000000000 107.868 > 9 58 Ag 0.87500000000000 0.25000000000000 0.12500000000000 107.868 > 9 59 Ag 0.37500000000000 0.25000000000000 0.62500000000000 107.868 > 9 60 Ag 0.87500000000000 0.25000000000000 0.62500000000000 107.868 > 9 *61 Ag 0.25000000000000 0.00000000000000 0.25000000000000 107.868 > 10 62 Ag 0.75000000000000 0.00000000000000 0.25000000000000 107.868 > 10 63 Ag 0.25000000000000 0.00000000000000 0.75000000000000 107.868 > 10 64 Ag 0.75000000000000 0.00000000000000 0.75000000000000 107.868 > 10 65 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 11 66 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 11 67 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 11 68 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 11 69 Ag 0.12500000000000 0.25000000000000 0.37500000000000 107.868 > 12 70 Ag 0.62500000000000 0.25000000000000 0.37500000000000 107.868 > 12 71 Ag 0.12500000000000 0.25000000000000 0.87500000000000 107.868 > 12 72 Ag 0.62500000000000 0.25000000000000 0.87500000000000 107.868 > 12 73 Ag 0.12500000000000 0.75000000000000 0.12500000000000 107.868 > 7 74 Ag 0.62500000000000 0.75000000000000 0.12500000000000 107.868 > 7 75 Ag 0.12500000000000 0.75000000000000 0.62500000000000 107.868 > 7 76 Ag 0.62500000000000 0.75000000000000 0.62500000000000 107.868 > 7 77 Ag 0.37500000000000 0.75000000000000 0.37500000000000 107.868 > 8 78 Ag 0.87500000000000 0.75000000000000 0.37500000000000 107.868 > 8 79 Ag 0.37500000000000 0.75000000000000 0.87500000000000 107.868 > 8 80 Ag 0.87500000000000 0.75000000000000 0.87500000000000 107.868 > 8 81 Ag 0.12500000000000 0.75000000000000 0.37500000000000 107.868 > 9 82 Ag 0.62500000000000 0.75000000000000 0.37500000000000 107.868 > 9 83 Ag 0.12500000000000 0.75000000000000 0.87500000000000 107.868 > 9 84 Ag 0.62500000000000 0.75000000000000 0.87500000000000 107.868 > 9 85 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 10 86 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 10 87 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 10 88 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 10 89 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 11 90 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 11 91 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 11 92 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 11 93 Ag 0.37500000000000 0.75000000000000 0.12500000000000 107.868 > 12 94 Ag 0.87500000000000 0.75000000000000 0.12500000000000 107.868 > 12 95 Ag 0.37500000000000 0.75000000000000 0.62500000000000 107.868 > 12 96 Ag 0.87500000000000 0.75000000000000 0.62500000000000 107.868 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4943439 0.0000000 0.0000000 0.0000000 6.8408195 0.0000000 0.0000000 0.0000000 8.1185284 -------------------------- Born effective charges -------------------------- 1 O -1.6653325 0.4180275 0.0000000 0.2792282 -1.8363125 0.0000000 0.0000000 0.0000000 -1.9304789 2 O -1.6653325 -0.4180275 0.0000000 -0.2792282 -1.8363125 0.0000000 0.0000000 0.0000000 -1.9304789 3 O -1.6653325 -0.4180275 0.0000000 -0.2792282 -1.8363125 0.0000000 0.0000000 0.0000000 -1.9304789 4 O -1.6653325 0.4180275 0.0000000 0.2792282 -1.8363125 0.0000000 0.0000000 0.0000000 -1.9304789 5 Na 1.2279911 0.0000000 0.0000000 -0.0000000 1.2396166 0.0000000 0.0000000 0.0000000 0.9252073 6 Na 1.2279911 0.0000000 0.0000000 -0.0000000 1.2396166 0.0000000 0.0000000 0.0000000 0.9252073 7 Ag 0.4726139 0.1959161 -0.1451168 -0.0716465 0.7001280 -0.7602589 0.1160735 -0.9965985 1.2320448 8 Ag 0.4726139 -0.1959161 0.1451168 0.0716465 0.7001280 -0.7602589 -0.1160735 -0.9965985 1.2320448 9 Ag 0.4726139 0.1959161 0.1451168 -0.0716465 0.7001280 0.7602589 -0.1160735 0.9965985 1.2320448 10 Ag 1.1574461 -0.5265941 0.0000000 -1.0050893 1.0327524 0.0000000 0.0000000 0.0000000 0.4716608 11 Ag 1.1574461 0.5265941 0.0000000 1.0050893 1.0327524 0.0000000 0.0000000 0.0000000 0.4716608 12 Ag 0.4726139 -0.1959161 -0.1451168 0.0716465 0.7001280 0.7602589 0.1160735 0.9965985 1.2320448 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 766 Number of blocks in projector: 766 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 116 Use standard eigh solver. Tree of FC basis block matrices: - (766, 744), data: False |-- (116, 112), data: True |-- (116, 112), data: True |-- (116, 112), data: True |-- (122, 120), data: True |-- (124, 122), data: True |-- (172, 166), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.676 Solver_block: 200 / 240 - Time: 0.667 Solver_block: 240 / 240 - Time: 0.457 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.971 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 766 Number of blocks in projector: 766 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 116 Use standard eigh solver. Tree of FC basis block matrices: - (766, 744), data: False |-- (116, 112), data: True |-- (116, 112), data: True |-- (116, 112), data: True |-- (122, 120), data: True |-- (124, 122), data: True |-- (172, 166), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:13:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:13:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.027040510000000 5.194943920000000 2.960883705000000 b 3.027040510000000 -5.194943920000000 2.960883705000000 c 3.027040510000000 5.194943920000000 -2.960883705000000 Atomic positions (fractional): 1 O 0.61135338334215 0.71239112247963 0.32374450582178 15.999 2 O 0.11135338334215 0.78760887752037 0.89896226086252 15.999 3 O 0.88864661665785 0.21239112247963 0.10103773913748 15.999 4 O 0.38864661665785 0.28760887752037 0.67625549417822 15.999 5 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 6 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 7 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 8 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 9 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 10 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 11 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 12 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.108162040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.389887840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.843534820000000 Atomic positions (fractional): 1 O 0.10619556123981 0.11135338334215 0.25000000000000 15.999 > 1 2 O 0.60619556123981 0.11135338334215 0.25000000000000 15.999 > 1 3 O 0.10619556123981 0.11135338334215 0.75000000000000 15.999 > 1 4 O 0.60619556123981 0.11135338334215 0.75000000000000 15.999 > 1 5 O 0.39380443876019 0.11135338334215 0.00000000000000 15.999 > 5 6 O 0.89380443876019 0.11135338334215 0.00000000000000 15.999 > 5 7 O 0.39380443876019 0.11135338334215 0.50000000000000 15.999 > 5 8 O 0.89380443876019 0.11135338334215 0.50000000000000 15.999 > 5 9 O 0.35619556123981 0.38864661665785 0.25000000000000 15.999 > 9 10 O 0.85619556123981 0.38864661665785 0.25000000000000 15.999 > 9 11 O 0.35619556123981 0.38864661665785 0.75000000000000 15.999 > 9 12 O 0.85619556123981 0.38864661665785 0.75000000000000 15.999 > 9 13 O 0.14380443876019 0.38864661665785 0.00000000000000 15.999 > 13 14 O 0.64380443876019 0.38864661665785 0.00000000000000 15.999 > 13 15 O 0.14380443876019 0.38864661665785 0.50000000000000 15.999 > 13 16 O 0.64380443876019 0.38864661665785 0.50000000000000 15.999 > 13 17 O 0.35619556123981 0.61135338334215 0.00000000000000 15.999 > 1 18 O 0.85619556123981 0.61135338334215 0.00000000000000 15.999 > 1 19 O 0.35619556123981 0.61135338334215 0.50000000000000 15.999 > 1 20 O 0.85619556123981 0.61135338334215 0.50000000000000 15.999 > 1 21 O 0.14380443876019 0.61135338334215 0.25000000000000 15.999 > 5 22 O 0.64380443876019 0.61135338334215 0.25000000000000 15.999 > 5 23 O 0.14380443876019 0.61135338334215 0.75000000000000 15.999 > 5 24 O 0.64380443876019 0.61135338334215 0.75000000000000 15.999 > 5 25 O 0.10619556123981 0.88864661665785 0.00000000000000 15.999 > 9 26 O 0.60619556123981 0.88864661665785 0.00000000000000 15.999 > 9 27 O 0.10619556123981 0.88864661665785 0.50000000000000 15.999 > 9 28 O 0.60619556123981 0.88864661665785 0.50000000000000 15.999 > 9 29 O 0.39380443876019 0.88864661665785 0.25000000000000 15.999 > 13 30 O 0.89380443876019 0.88864661665785 0.25000000000000 15.999 > 13 31 O 0.39380443876019 0.88864661665785 0.75000000000000 15.999 > 13 32 O 0.89380443876019 0.88864661665785 0.75000000000000 15.999 > 13 33 Na 0.00000000000000 0.00000000000000 0.37500000000000 22.990 > 33 34 Na 0.50000000000000 0.00000000000000 0.37500000000000 22.990 > 33 35 Na 0.00000000000000 0.00000000000000 0.87500000000000 22.990 > 33 36 Na 0.50000000000000 0.00000000000000 0.87500000000000 22.990 > 33 37 Na 0.00000000000000 0.00000000000000 0.12500000000000 22.990 > 37 38 Na 0.50000000000000 0.00000000000000 0.12500000000000 22.990 > 37 39 Na 0.00000000000000 0.00000000000000 0.62500000000000 22.990 > 37 40 Na 0.50000000000000 0.00000000000000 0.62500000000000 22.990 > 37 41 Na 0.25000000000000 0.50000000000000 0.12500000000000 22.990 > 33 42 Na 0.75000000000000 0.50000000000000 0.12500000000000 22.990 > 33 43 Na 0.25000000000000 0.50000000000000 0.62500000000000 22.990 > 33 44 Na 0.75000000000000 0.50000000000000 0.62500000000000 22.990 > 33 45 Na 0.25000000000000 0.50000000000000 0.37500000000000 22.990 > 37 46 Na 0.75000000000000 0.50000000000000 0.37500000000000 22.990 > 37 47 Na 0.25000000000000 0.50000000000000 0.87500000000000 22.990 > 37 48 Na 0.75000000000000 0.50000000000000 0.87500000000000 22.990 > 37 49 Ag 0.37500000000000 0.25000000000000 0.37500000000000 107.868 > 49 50 Ag 0.87500000000000 0.25000000000000 0.37500000000000 107.868 > 49 51 Ag 0.37500000000000 0.25000000000000 0.87500000000000 107.868 > 49 52 Ag 0.87500000000000 0.25000000000000 0.87500000000000 107.868 > 49 53 Ag 0.12500000000000 0.25000000000000 0.12500000000000 107.868 > 53 54 Ag 0.62500000000000 0.25000000000000 0.12500000000000 107.868 > 53 55 Ag 0.12500000000000 0.25000000000000 0.62500000000000 107.868 > 53 56 Ag 0.62500000000000 0.25000000000000 0.62500000000000 107.868 > 53 57 Ag 0.37500000000000 0.25000000000000 0.12500000000000 107.868 > 57 58 Ag 0.87500000000000 0.25000000000000 0.12500000000000 107.868 > 57 59 Ag 0.37500000000000 0.25000000000000 0.62500000000000 107.868 > 57 60 Ag 0.87500000000000 0.25000000000000 0.62500000000000 107.868 > 57 61 Ag 0.25000000000000 0.00000000000000 0.25000000000000 107.868 > 61 62 Ag 0.75000000000000 0.00000000000000 0.25000000000000 107.868 > 61 63 Ag 0.25000000000000 0.00000000000000 0.75000000000000 107.868 > 61 64 Ag 0.75000000000000 0.00000000000000 0.75000000000000 107.868 > 61 65 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 65 66 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 65 67 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 65 68 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 65 69 Ag 0.12500000000000 0.25000000000000 0.37500000000000 107.868 > 69 70 Ag 0.62500000000000 0.25000000000000 0.37500000000000 107.868 > 69 71 Ag 0.12500000000000 0.25000000000000 0.87500000000000 107.868 > 69 72 Ag 0.62500000000000 0.25000000000000 0.87500000000000 107.868 > 69 73 Ag 0.12500000000000 0.75000000000000 0.12500000000000 107.868 > 49 74 Ag 0.62500000000000 0.75000000000000 0.12500000000000 107.868 > 49 75 Ag 0.12500000000000 0.75000000000000 0.62500000000000 107.868 > 49 76 Ag 0.62500000000000 0.75000000000000 0.62500000000000 107.868 > 49 77 Ag 0.37500000000000 0.75000000000000 0.37500000000000 107.868 > 53 78 Ag 0.87500000000000 0.75000000000000 0.37500000000000 107.868 > 53 79 Ag 0.37500000000000 0.75000000000000 0.87500000000000 107.868 > 53 80 Ag 0.87500000000000 0.75000000000000 0.87500000000000 107.868 > 53 81 Ag 0.12500000000000 0.75000000000000 0.37500000000000 107.868 > 57 82 Ag 0.62500000000000 0.75000000000000 0.37500000000000 107.868 > 57 83 Ag 0.12500000000000 0.75000000000000 0.87500000000000 107.868 > 57 84 Ag 0.62500000000000 0.75000000000000 0.87500000000000 107.868 > 57 85 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 61 86 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 61 87 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 61 88 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 61 89 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 65 90 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 65 91 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 65 92 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 65 93 Ag 0.37500000000000 0.75000000000000 0.12500000000000 107.868 > 69 94 Ag 0.87500000000000 0.75000000000000 0.12500000000000 107.868 > 69 95 Ag 0.37500000000000 0.75000000000000 0.62500000000000 107.868 > 69 96 Ag 0.87500000000000 0.75000000000000 0.62500000000000 107.868 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4943439 0.0000000 0.0000000 0.0000000 6.8408195 0.0000000 0.0000000 0.0000000 8.1185284 -------------------------- Born effective charges -------------------------- 1 O -1.6653325 0.4180275 0.0000000 0.2792282 -1.8363125 0.0000000 0.0000000 0.0000000 -1.9304789 2 O -1.6653325 -0.4180275 0.0000000 -0.2792282 -1.8363125 0.0000000 0.0000000 0.0000000 -1.9304789 3 O -1.6653325 -0.4180275 0.0000000 -0.2792282 -1.8363125 0.0000000 0.0000000 0.0000000 -1.9304789 4 O -1.6653325 0.4180275 0.0000000 0.2792282 -1.8363125 0.0000000 0.0000000 0.0000000 -1.9304789 5 Na 1.2279911 0.0000000 0.0000000 -0.0000000 1.2396166 0.0000000 0.0000000 0.0000000 0.9252073 6 Na 1.2279911 0.0000000 0.0000000 -0.0000000 1.2396166 0.0000000 0.0000000 0.0000000 0.9252073 7 Ag 0.4726139 0.1959161 -0.1451168 -0.0716465 0.7001280 -0.7602589 0.1160735 -0.9965985 1.2320448 8 Ag 0.4726139 -0.1959161 0.1451168 0.0716465 0.7001280 -0.7602589 -0.1160735 -0.9965985 1.2320448 9 Ag 0.4726139 0.1959161 0.1451168 -0.0716465 0.7001280 0.7602589 -0.1160735 0.9965985 1.2320448 10 Ag 1.1574461 -0.5265941 0.0000000 -1.0050893 1.0327524 0.0000000 0.0000000 0.0000000 0.4716608 11 Ag 1.1574461 0.5265941 0.0000000 1.0050893 1.0327524 0.0000000 0.0000000 0.0000000 0.4716608 12 Ag 0.4726139 -0.1959161 -0.1451168 0.0716465 0.7001280 0.7602589 0.1160735 0.9965985 1.2320448 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zxz) -0.00000001 (zxz) -0.00000001 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:13:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:13:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.027040510000000 5.194943920000000 2.960883705000000 b 3.027040510000000 -5.194943920000000 2.960883705000000 c 3.027040510000000 5.194943920000000 -2.960883705000000 Atomic positions (fractional): 1 O 0.61135338334215 0.71239112247963 0.32374450582178 15.999 2 O 0.11135338334215 0.78760887752037 0.89896226086252 15.999 3 O 0.88864661665785 0.21239112247963 0.10103773913748 15.999 4 O 0.38864661665785 0.28760887752037 0.67625549417822 15.999 5 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 6 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 7 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 8 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 9 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 10 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 11 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 12 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.108162040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.389887840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.843534820000000 Atomic positions (fractional): 1 O 0.10619556123981 0.11135338334215 0.25000000000000 15.999 > 1 2 O 0.60619556123981 0.11135338334215 0.25000000000000 15.999 > 1 3 O 0.10619556123981 0.11135338334215 0.75000000000000 15.999 > 1 4 O 0.60619556123981 0.11135338334215 0.75000000000000 15.999 > 1 5 O 0.39380443876019 0.11135338334215 0.00000000000000 15.999 > 5 6 O 0.89380443876019 0.11135338334215 0.00000000000000 15.999 > 5 7 O 0.39380443876019 0.11135338334215 0.50000000000000 15.999 > 5 8 O 0.89380443876019 0.11135338334215 0.50000000000000 15.999 > 5 9 O 0.35619556123981 0.38864661665785 0.25000000000000 15.999 > 9 10 O 0.85619556123981 0.38864661665785 0.25000000000000 15.999 > 9 11 O 0.35619556123981 0.38864661665785 0.75000000000000 15.999 > 9 12 O 0.85619556123981 0.38864661665785 0.75000000000000 15.999 > 9 13 O 0.14380443876019 0.38864661665785 0.00000000000000 15.999 > 13 14 O 0.64380443876019 0.38864661665785 0.00000000000000 15.999 > 13 15 O 0.14380443876019 0.38864661665785 0.50000000000000 15.999 > 13 16 O 0.64380443876019 0.38864661665785 0.50000000000000 15.999 > 13 17 O 0.35619556123981 0.61135338334215 0.00000000000000 15.999 > 1 18 O 0.85619556123981 0.61135338334215 0.00000000000000 15.999 > 1 19 O 0.35619556123981 0.61135338334215 0.50000000000000 15.999 > 1 20 O 0.85619556123981 0.61135338334215 0.50000000000000 15.999 > 1 21 O 0.14380443876019 0.61135338334215 0.25000000000000 15.999 > 5 22 O 0.64380443876019 0.61135338334215 0.25000000000000 15.999 > 5 23 O 0.14380443876019 0.61135338334215 0.75000000000000 15.999 > 5 24 O 0.64380443876019 0.61135338334215 0.75000000000000 15.999 > 5 25 O 0.10619556123981 0.88864661665785 0.00000000000000 15.999 > 9 26 O 0.60619556123981 0.88864661665785 0.00000000000000 15.999 > 9 27 O 0.10619556123981 0.88864661665785 0.50000000000000 15.999 > 9 28 O 0.60619556123981 0.88864661665785 0.50000000000000 15.999 > 9 29 O 0.39380443876019 0.88864661665785 0.25000000000000 15.999 > 13 30 O 0.89380443876019 0.88864661665785 0.25000000000000 15.999 > 13 31 O 0.39380443876019 0.88864661665785 0.75000000000000 15.999 > 13 32 O 0.89380443876019 0.88864661665785 0.75000000000000 15.999 > 13 33 Na 0.00000000000000 0.00000000000000 0.37500000000000 22.990 > 33 34 Na 0.50000000000000 0.00000000000000 0.37500000000000 22.990 > 33 35 Na 0.00000000000000 0.00000000000000 0.87500000000000 22.990 > 33 36 Na 0.50000000000000 0.00000000000000 0.87500000000000 22.990 > 33 37 Na 0.00000000000000 0.00000000000000 0.12500000000000 22.990 > 37 38 Na 0.50000000000000 0.00000000000000 0.12500000000000 22.990 > 37 39 Na 0.00000000000000 0.00000000000000 0.62500000000000 22.990 > 37 40 Na 0.50000000000000 0.00000000000000 0.62500000000000 22.990 > 37 41 Na 0.25000000000000 0.50000000000000 0.12500000000000 22.990 > 33 42 Na 0.75000000000000 0.50000000000000 0.12500000000000 22.990 > 33 43 Na 0.25000000000000 0.50000000000000 0.62500000000000 22.990 > 33 44 Na 0.75000000000000 0.50000000000000 0.62500000000000 22.990 > 33 45 Na 0.25000000000000 0.50000000000000 0.37500000000000 22.990 > 37 46 Na 0.75000000000000 0.50000000000000 0.37500000000000 22.990 > 37 47 Na 0.25000000000000 0.50000000000000 0.87500000000000 22.990 > 37 48 Na 0.75000000000000 0.50000000000000 0.87500000000000 22.990 > 37 49 Ag 0.37500000000000 0.25000000000000 0.37500000000000 107.868 > 49 50 Ag 0.87500000000000 0.25000000000000 0.37500000000000 107.868 > 49 51 Ag 0.37500000000000 0.25000000000000 0.87500000000000 107.868 > 49 52 Ag 0.87500000000000 0.25000000000000 0.87500000000000 107.868 > 49 53 Ag 0.12500000000000 0.25000000000000 0.12500000000000 107.868 > 53 54 Ag 0.62500000000000 0.25000000000000 0.12500000000000 107.868 > 53 55 Ag 0.12500000000000 0.25000000000000 0.62500000000000 107.868 > 53 56 Ag 0.62500000000000 0.25000000000000 0.62500000000000 107.868 > 53 57 Ag 0.37500000000000 0.25000000000000 0.12500000000000 107.868 > 57 58 Ag 0.87500000000000 0.25000000000000 0.12500000000000 107.868 > 57 59 Ag 0.37500000000000 0.25000000000000 0.62500000000000 107.868 > 57 60 Ag 0.87500000000000 0.25000000000000 0.62500000000000 107.868 > 57 61 Ag 0.25000000000000 0.00000000000000 0.25000000000000 107.868 > 61 62 Ag 0.75000000000000 0.00000000000000 0.25000000000000 107.868 > 61 63 Ag 0.25000000000000 0.00000000000000 0.75000000000000 107.868 > 61 64 Ag 0.75000000000000 0.00000000000000 0.75000000000000 107.868 > 61 65 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 65 66 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 65 67 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 65 68 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 65 69 Ag 0.12500000000000 0.25000000000000 0.37500000000000 107.868 > 69 70 Ag 0.62500000000000 0.25000000000000 0.37500000000000 107.868 > 69 71 Ag 0.12500000000000 0.25000000000000 0.87500000000000 107.868 > 69 72 Ag 0.62500000000000 0.25000000000000 0.87500000000000 107.868 > 69 73 Ag 0.12500000000000 0.75000000000000 0.12500000000000 107.868 > 49 74 Ag 0.62500000000000 0.75000000000000 0.12500000000000 107.868 > 49 75 Ag 0.12500000000000 0.75000000000000 0.62500000000000 107.868 > 49 76 Ag 0.62500000000000 0.75000000000000 0.62500000000000 107.868 > 49 77 Ag 0.37500000000000 0.75000000000000 0.37500000000000 107.868 > 53 78 Ag 0.87500000000000 0.75000000000000 0.37500000000000 107.868 > 53 79 Ag 0.37500000000000 0.75000000000000 0.87500000000000 107.868 > 53 80 Ag 0.87500000000000 0.75000000000000 0.87500000000000 107.868 > 53 81 Ag 0.12500000000000 0.75000000000000 0.37500000000000 107.868 > 57 82 Ag 0.62500000000000 0.75000000000000 0.37500000000000 107.868 > 57 83 Ag 0.12500000000000 0.75000000000000 0.87500000000000 107.868 > 57 84 Ag 0.62500000000000 0.75000000000000 0.87500000000000 107.868 > 57 85 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 61 86 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 61 87 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 61 88 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 61 89 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 65 90 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 65 91 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 65 92 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 65 93 Ag 0.37500000000000 0.75000000000000 0.12500000000000 107.868 > 69 94 Ag 0.87500000000000 0.75000000000000 0.12500000000000 107.868 > 69 95 Ag 0.37500000000000 0.75000000000000 0.62500000000000 107.868 > 69 96 Ag 0.87500000000000 0.75000000000000 0.62500000000000 107.868 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4943439 0.0000000 0.0000000 0.0000000 6.8408195 0.0000000 0.0000000 0.0000000 8.1185284 -------------------------- Born effective charges -------------------------- 1 O -1.6653325 0.4180275 0.0000000 0.2792282 -1.8363125 0.0000000 0.0000000 0.0000000 -1.9304789 2 O -1.6653325 -0.4180275 0.0000000 -0.2792282 -1.8363125 0.0000000 0.0000000 0.0000000 -1.9304789 3 O -1.6653325 -0.4180275 0.0000000 -0.2792282 -1.8363125 0.0000000 0.0000000 0.0000000 -1.9304789 4 O -1.6653325 0.4180275 0.0000000 0.2792282 -1.8363125 0.0000000 0.0000000 0.0000000 -1.9304789 5 Na 1.2279911 0.0000000 0.0000000 -0.0000000 1.2396166 0.0000000 0.0000000 0.0000000 0.9252073 6 Na 1.2279911 0.0000000 0.0000000 -0.0000000 1.2396166 0.0000000 0.0000000 0.0000000 0.9252073 7 Ag 0.4726139 0.1959161 -0.1451168 -0.0716465 0.7001280 -0.7602589 0.1160735 -0.9965985 1.2320448 8 Ag 0.4726139 -0.1959161 0.1451168 0.0716465 0.7001280 -0.7602589 -0.1160735 -0.9965985 1.2320448 9 Ag 0.4726139 0.1959161 0.1451168 -0.0716465 0.7001280 0.7602589 -0.1160735 0.9965985 1.2320448 10 Ag 1.1574461 -0.5265941 0.0000000 -1.0050893 1.0327524 0.0000000 0.0000000 0.0000000 0.4716608 11 Ag 1.1574461 0.5265941 0.0000000 1.0050893 1.0327524 0.0000000 0.0000000 0.0000000 0.4716608 12 Ag 0.4726139 -0.1959161 -0.1451168 0.0716465 0.7001280 0.7602589 0.1160735 0.9965985 1.2320448 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zxz) -0.00000001 (zxz) -0.00000001 (zzx) 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 ... Generalized regular grid: [ 1 8 80 ] Grid generation matrix: [ 0 8 8 ] [ 5 0 5 ] [ 8 8 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.73, Number of G-points: 291, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/123) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 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 0.363 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 7.606 ( 0.000 0.000 0.000) 0.000 10.366 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 11.954 ( 0.000 0.000 0.000) 0.000 12.622 ( 0.000 0.000 0.000) 0.000 12.805 ( 0.000 0.000 0.000) 0.000 12.880 ( 0.000 0.000 0.000) 0.000 12.963 ( 0.000 0.000 0.000) 0.000 13.301 ( 0.000 0.000 0.000) 0.000 14.616 ( 0.000 0.000 0.000) 0.000 14.740 ( 0.000 0.000 0.000) 0.000 15.317 ( 0.000 0.000 0.000) 0.000 15.366 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/123) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 10.364 -0.000 -11.676) 15.613 0.494 ( 13.949 -0.000 -2.992) 14.266 0.562 ( 9.142 -0.000 -10.372) 13.826 1.039 ( 15.897 -0.000 -28.903) 32.987 1.595 ( 2.636 -0.000 -2.409) 3.571 1.713 ( -2.166 0.000 -5.871) 6.258 1.975 ( -0.466 0.000 0.249) 0.529 2.239 ( -2.171 0.000 1.281) 2.521 2.313 ( 0.150 0.000 -2.332) 2.337 2.538 ( -1.657 0.000 0.053) 1.658 2.640 ( -2.657 0.000 0.903) 2.806 3.008 ( 2.222 -0.000 5.465) 5.900 3.191 ( -2.285 0.000 3.369) 4.071 3.239 ( -1.521 0.000 -4.028) 4.306 3.266 ( -0.640 -0.000 4.258) 4.305 3.611 ( -0.888 -0.000 7.017) 7.073 4.015 ( 1.769 -0.000 4.847) 5.160 4.121 ( 0.560 -0.000 8.460) 8.479 5.845 ( 1.666 0.000 -7.518) 7.701 5.938 ( -3.159 0.000 -2.426) 3.983 6.476 ( 0.682 -0.000 -1.012) 1.220 7.221 ( -2.771 0.000 7.049) 7.574 7.338 ( -9.176 0.000 2.001) 9.392 7.777 ( 9.045 -0.000 2.058) 9.276 10.393 ( -0.412 0.000 -3.012) 3.040 10.837 ( 2.018 -0.000 -0.193) 2.027 12.036 ( 2.938 -0.000 -4.357) 5.255 12.654 ( -0.439 0.000 -2.942) 2.975 12.867 ( 2.024 -0.000 -4.345) 4.793 12.969 ( 1.796 -0.000 1.427) 2.294 13.066 ( 5.484 -0.000 11.528) 12.765 13.376 ( 5.972 -0.000 1.151) 6.082 14.694 ( -1.085 -0.000 3.470) 3.635 15.129 ( -14.270 0.000 -10.798) 17.895 15.266 ( -1.242 0.000 3.380) 3.601 15.527 ( -3.880 0.000 3.360) 5.132 ======================= Grid point 2 (3/123) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 9.943 -0.000 -3.455) 10.526 0.916 ( 9.077 -0.000 -12.040) 15.078 1.041 ( 12.747 -0.000 -10.004) 16.204 1.693 ( 3.725 -0.000 -6.884) 7.827 1.806 ( -3.749 0.000 -6.752) 7.723 1.848 ( 7.833 -0.000 -16.761) 18.501 1.965 ( -1.276 0.000 -2.753) 3.034 2.137 ( -3.510 0.000 2.837) 4.513 2.371 ( -1.543 0.000 -3.643) 3.957 2.509 ( -2.289 0.000 -2.250) 3.210 2.550 ( -3.919 0.000 0.738) 3.988 2.906 ( 1.850 -0.000 7.934) 8.147 3.019 ( -3.359 0.000 6.942) 7.712 3.132 ( -1.256 -0.000 6.107) 6.234 3.224 ( -5.265 0.000 1.249) 5.411 3.384 ( -1.892 -0.000 11.185) 11.344 3.940 ( 2.221 -0.000 9.997) 10.241 4.014 ( 6.528 -0.000 2.265) 6.909 5.926 ( -4.966 0.000 -5.514) 7.421 6.065 ( 0.970 0.000 -9.523) 9.572 6.503 ( 1.099 -0.000 0.575) 1.240 7.032 ( -6.310 0.000 -0.571) 6.336 7.115 ( -5.912 0.000 4.313) 7.318 7.813 ( 4.410 -0.000 8.846) 9.884 10.481 ( -0.031 0.000 -5.861) 5.861 10.876 ( 2.404 -0.000 1.338) 2.751 12.223 ( 5.119 -0.000 -4.528) 6.834 12.685 ( 1.451 -0.000 2.380) 2.788 12.964 ( 0.119 -0.000 0.520) 0.533 12.975 ( -7.355 0.000 -6.212) 9.628 13.094 ( 6.929 -0.000 -8.109) 10.666 13.466 ( 3.442 -0.000 -0.388) 3.463 14.546 ( -2.759 0.000 6.612) 7.165 15.031 ( -7.743 0.000 -1.558) 7.898 15.140 ( -1.691 0.000 5.154) 5.425 15.295 ( -4.338 0.000 10.352) 11.224 ======================= Grid point 3 (4/123) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 8.131 -0.000 -5.099) 9.598 1.296 ( 3.558 -0.000 -8.810) 9.501 1.472 ( 12.091 -0.000 -5.340) 13.218 1.789 ( -3.190 0.000 -0.089) 3.191 1.873 ( 4.756 -0.000 -4.255) 6.381 1.978 ( -0.341 -0.000 2.843) 2.863 2.128 ( -1.684 0.000 -10.976) 11.105 2.202 ( -3.244 0.000 -8.265) 8.879 2.390 ( -2.167 0.000 -3.894) 4.456 2.424 ( -7.936 0.000 1.201) 8.026 2.564 ( -2.119 0.000 -6.380) 6.723 2.782 ( 2.948 -0.000 6.850) 7.457 2.803 ( 0.951 -0.000 9.601) 9.648 2.978 ( -2.176 0.000 4.640) 5.125 2.999 ( -5.026 0.000 6.645) 8.332 3.090 ( -2.272 -0.000 11.765) 11.982 3.840 ( 4.167 -0.000 4.773) 6.336 4.068 ( 1.697 -0.000 4.304) 4.626 6.059 ( 0.896 0.000 -12.112) 12.145 6.251 ( -1.675 0.000 -8.180) 8.350 6.514 ( 0.945 -0.000 -0.610) 1.125 6.903 ( -2.305 -0.000 8.251) 8.567 7.022 ( -3.807 0.000 -7.957) 8.820 7.574 ( -0.636 -0.000 16.379) 16.391 10.630 ( 0.408 0.000 -7.354) 7.365 10.864 ( 1.562 -0.000 3.859) 4.163 12.402 ( 6.820 -0.000 -0.153) 6.821 12.611 ( -1.600 0.000 3.250) 3.623 12.971 ( -1.795 0.000 -3.515) 3.946 13.017 ( -6.437 0.000 -9.249) 11.269 13.454 ( 10.338 -0.000 -6.481) 12.201 13.542 ( 1.176 -0.000 -2.730) 2.972 14.344 ( -2.743 0.000 4.576) 5.335 14.822 ( -11.179 0.000 6.376) 12.869 15.001 ( -0.045 -0.000 8.151) 8.151 15.005 ( -1.137 -0.000 4.240) 4.390 ======================= Grid point 4 (5/123) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 6.341 -0.000 -2.953) 6.995 1.310 ( -6.341 0.000 2.953) 6.995 1.707 ( -5.930 0.000 -0.231) 5.934 1.707 ( 5.930 -0.000 0.231) 5.934 2.082 ( -8.254 0.000 2.128) 8.524 2.082 ( 8.254 -0.000 -2.128) 8.524 2.125 ( 8.338 -0.000 -5.368) 9.916 2.125 ( -8.338 0.000 5.368) 9.916 2.364 ( -0.426 0.000 -7.566) 7.578 2.364 ( 0.426 -0.000 7.566) 7.578 2.666 ( -4.009 0.000 -9.242) 10.074 2.666 ( 4.009 -0.000 9.242) 10.074 2.830 ( 2.640 -0.000 -6.117) 6.662 2.830 ( -2.640 0.000 6.117) 6.662 2.882 ( -1.329 0.000 0.174) 1.340 2.882 ( 1.329 -0.000 -0.174) 1.340 3.924 ( 4.608 -0.000 -3.297) 5.666 3.924 ( -4.608 0.000 3.297) 5.666 6.301 ( -5.512 0.000 -1.507) 5.714 6.301 ( 5.512 -0.000 1.507) 5.714 6.648 ( 0.115 0.000 -12.288) 12.288 6.648 ( -0.115 -0.000 12.288) 12.288 7.210 ( -0.117 0.000 -14.281) 14.282 7.210 ( 0.117 -0.000 14.281) 14.282 10.778 ( -0.410 0.000 -6.133) 6.147 10.778 ( 0.410 -0.000 6.133) 6.147 12.513 ( -5.578 0.000 -1.051) 5.676 12.513 ( 5.578 -0.000 1.051) 5.676 13.028 ( 0.665 -0.000 -1.550) 1.686 13.028 ( -0.665 0.000 1.550) 1.686 13.625 ( -4.040 0.000 -5.547) 6.863 13.625 ( 4.040 -0.000 5.547) 6.863 14.418 ( 6.258 -0.000 -9.509) 11.383 14.418 ( -6.258 0.000 9.509) 11.383 14.937 ( 0.343 -0.000 -0.305) 0.459 14.937 ( -0.343 0.000 0.305) 0.459 ======================= Grid point 9 (6/123) ======================= q-point: ( 0.39 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.000 13.659 6.540) 15.144 1.062 ( 0.000 2.027 6.292) 6.611 1.189 ( 0.000 5.208 8.862) 10.279 1.580 ( -0.000 -2.117 -4.068) 4.586 1.902 ( 0.000 -1.862 5.375) 5.688 2.084 ( 0.000 -2.694 13.819) 14.079 2.280 ( 0.000 -0.208 5.529) 5.533 2.367 ( 0.000 4.567 14.747) 15.438 2.396 ( -0.000 -5.251 -6.663) 8.483 2.560 ( 0.000 4.802 4.428) 6.531 2.581 ( -0.000 0.331 -4.225) 4.238 2.776 ( 0.000 5.952 1.695) 6.188 2.885 ( -0.000 -1.802 -6.504) 6.749 2.940 ( -0.000 -3.863 -7.191) 8.163 3.150 ( -0.000 -3.888 -8.773) 9.596 3.380 ( -0.000 -4.897 -11.384) 12.393 3.559 ( -0.000 -2.835 -1.841) 3.380 3.631 ( -0.000 1.058 -7.059) 7.137 6.154 ( 0.000 -3.071 10.250) 10.700 6.376 ( 0.000 5.018 16.157) 16.918 6.443 ( -0.000 3.442 -5.580) 6.556 6.978 ( 0.000 -7.110 0.376) 7.120 7.183 ( -0.000 1.303 -4.337) 4.529 7.403 ( -0.000 -4.734 -12.830) 13.675 10.807 ( 0.000 5.707 6.745) 8.836 11.012 ( -0.000 3.882 -0.825) 3.969 12.309 ( -0.000 1.357 -1.667) 2.150 12.346 ( -0.000 -6.576 -1.142) 6.674 12.756 ( 0.000 -1.721 7.982) 8.166 12.925 ( 0.000 -0.450 2.129) 2.176 13.851 ( 0.000 12.562 1.969) 12.715 13.888 ( 0.000 8.106 13.325) 15.597 14.416 ( -0.000 -1.131 -1.492) 1.872 14.821 ( 0.000 -9.629 2.068) 9.848 14.947 ( -0.000 -1.499 -6.265) 6.442 15.153 ( -0.000 -5.253 -19.513) 20.208 ======================= Grid point 10 (7/123) ======================= q-point: ( 0.26 -0.01 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 3.795 9.882 6.986) 12.683 0.989 ( 6.561 10.777 6.830) 14.347 1.063 ( 4.176 10.524 7.112) 13.370 1.576 ( 2.296 -2.023 6.861) 7.512 1.744 ( -2.002 -4.145 10.621) 11.575 1.853 ( 2.657 -0.549 6.572) 7.110 2.078 ( -0.591 7.270 7.841) 10.709 2.168 ( -2.912 -3.166 1.639) 4.604 2.401 ( -4.593 1.912 3.912) 6.329 2.506 ( -2.349 -5.958 -3.974) 7.537 2.643 ( 3.186 4.484 1.179) 5.626 2.805 ( 1.711 -1.584 -0.650) 2.421 3.000 ( -1.126 -3.032 -5.517) 6.395 3.101 ( -0.899 -1.907 -8.366) 8.627 3.328 ( -1.768 -2.525 -7.226) 7.856 3.418 ( -1.045 0.407 -0.321) 1.167 3.686 ( -3.352 -5.320 -9.910) 11.737 3.936 ( 8.622 -0.868 -10.207) 13.389 5.911 ( -0.182 -2.340 12.551) 12.769 6.102 ( -0.892 1.409 8.068) 8.239 6.513 ( 0.293 1.720 -0.781) 1.912 6.915 ( -3.899 -8.787 1.923) 9.804 7.236 ( -3.197 -2.398 -4.857) 6.290 7.704 ( 4.272 -0.262 -10.336) 11.187 10.627 ( -5.025 6.835 4.852) 9.773 11.053 ( 3.316 8.988 -1.597) 9.712 12.262 ( -1.048 -3.317 2.608) 4.348 12.436 ( 4.439 -3.058 2.198) 5.821 12.656 ( 4.903 -8.695 4.117) 10.798 12.864 ( -0.420 4.631 3.099) 5.588 13.532 ( -4.927 10.952 10.363) 15.862 13.832 ( 0.386 14.417 1.013) 14.457 14.503 ( -0.522 -3.698 -5.501) 6.650 14.732 ( -2.042 -10.914 4.236) 11.884 15.103 ( 1.970 -5.066 -6.008) 8.102 15.491 ( -6.965 -2.295 -17.597) 19.064 ======================= Grid point 11 (8/123) ======================= q-point: ( 0.14 -0.01 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 6.570 6.467 3.789) 9.967 0.913 ( 6.580 6.488 13.593) 16.436 1.062 ( 6.169 13.568 3.224) 15.249 1.477 ( -1.791 -6.444 6.852) 9.575 1.607 ( 6.830 2.268 -0.356) 7.205 1.803 ( 5.844 5.964 6.074) 10.325 1.977 ( -2.335 2.111 1.188) 3.364 2.104 ( -5.571 -3.375 -2.370) 6.931 2.262 ( -0.707 -1.977 2.493) 3.260 2.482 ( -5.269 -3.985 -2.045) 6.915 2.650 ( 0.492 2.785 2.582) 3.830 2.832 ( 0.062 -3.789 -0.009) 3.790 3.087 ( 0.679 -3.436 -3.621) 5.038 3.226 ( -1.344 -0.666 -3.668) 3.963 3.255 ( -2.549 1.097 2.463) 3.711 3.548 ( 0.421 -2.045 -6.780) 7.094 3.808 ( -2.566 -4.616 -6.764) 8.582 4.309 ( 9.407 2.593 -6.524) 11.738 5.670 ( 1.156 -5.271 9.459) 10.890 5.983 ( -1.989 1.956 1.428) 3.134 6.499 ( -0.426 0.247 1.170) 1.270 6.721 ( -10.846 -10.860 2.603) 15.568 7.268 ( -2.701 -2.003 -3.642) 4.957 7.978 ( 5.158 2.143 -5.701) 7.981 10.436 ( -5.377 4.499 2.266) 7.368 11.246 ( 9.307 13.892 -3.519) 17.088 12.193 ( 2.251 0.310 4.230) 4.801 12.423 ( 0.161 -14.483 1.591) 14.571 12.698 ( -0.876 1.701 2.856) 3.437 12.793 ( 4.598 -3.025 3.620) 6.588 13.364 ( -1.982 6.620 -1.002) 6.982 13.845 ( 2.176 14.189 0.004) 14.355 14.543 ( -2.366 -5.842 2.264) 6.697 14.639 ( 0.101 -3.617 -1.602) 3.957 15.247 ( 0.483 -9.065 -4.055) 9.942 15.560 ( -12.062 3.056 -8.233) 14.920 ======================= Grid point 12 (9/123) ======================= q-point: ( 0.01 -0.01 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 4.609 4.826 0.000) 6.673 0.921 ( 5.893 3.143 0.000) 6.678 1.167 ( 7.077 9.823 0.000) 12.107 1.336 ( -3.146 -5.735 -0.000) 6.541 1.761 ( 4.520 1.640 0.000) 4.808 1.878 ( 2.181 -0.050 0.000) 2.182 1.897 ( -2.480 -1.556 -0.000) 2.928 2.052 ( 1.233 4.811 0.000) 4.966 2.257 ( 0.641 -3.379 -0.000) 3.440 2.400 ( -4.732 -0.641 -0.000) 4.775 2.557 ( -4.469 -8.063 -0.000) 9.219 2.820 ( -0.836 2.431 0.000) 2.570 3.150 ( -1.634 0.663 -0.000) 1.763 3.158 ( 1.462 -1.527 -0.000) 2.114 3.268 ( -0.667 -0.180 -0.000) 0.690 3.635 ( 0.210 -0.493 -0.000) 0.536 3.840 ( -1.555 -3.789 -0.000) 4.096 4.575 ( 8.974 6.811 0.000) 11.266 5.590 ( 0.352 -4.809 -0.000) 4.822 5.940 ( -0.946 2.010 0.000) 2.222 6.395 ( -13.659 -11.230 -0.000) 17.683 6.489 ( 0.109 0.667 0.000) 0.676 7.263 ( -1.819 1.269 0.000) 2.218 8.136 ( 3.796 0.857 0.000) 3.892 10.329 ( -2.433 0.735 -0.000) 2.542 11.505 ( 10.002 16.981 0.000) 19.708 12.206 ( 3.322 0.208 0.000) 3.329 12.382 ( -3.677 -19.911 -0.000) 20.248 12.573 ( -3.026 4.977 0.000) 5.824 12.875 ( 4.656 -3.614 -0.000) 5.894 13.356 ( -2.212 2.150 0.000) 3.085 13.919 ( 4.470 10.928 0.000) 11.807 14.461 ( -1.641 -2.971 -0.000) 3.394 14.679 ( 0.120 -0.725 -0.000) 0.735 15.217 ( -7.988 -8.052 -0.000) 11.343 15.477 ( -1.871 3.742 0.000) 4.183 ======================= Grid point 13 (10/123) ======================= q-point: (-0.11 -0.01 0.51) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 2.027 -1.613 -0.382) 2.618 1.071 ( 1.230 1.402 -16.346) 16.452 1.351 ( 6.041 1.660 -3.931) 7.396 1.383 ( -1.901 -1.003 -9.049) 9.301 1.788 ( -3.534 -1.917 0.726) 4.085 1.869 ( 2.752 0.338 -3.397) 4.385 1.887 ( -1.094 0.251 0.331) 1.171 2.032 ( 0.303 0.198 8.876) 8.883 2.203 ( -1.576 -1.935 0.466) 2.539 2.356 ( -0.232 -0.020 -0.413) 0.474 2.600 ( -1.501 -2.680 -9.281) 9.776 2.813 ( 0.930 3.376 0.406) 3.525 3.115 ( -1.143 1.553 3.889) 4.341 3.181 ( -0.412 0.736 -2.552) 2.688 3.206 ( 0.278 -0.617 4.694) 4.743 3.541 ( -0.569 0.540 8.019) 8.058 3.745 ( -0.511 -3.860 6.765) 7.806 4.609 ( 0.704 5.054 8.290) 9.735 5.686 ( -0.623 2.516 -10.775) 11.082 5.922 ( -0.062 -2.816 0.140) 2.820 6.302 ( -2.858 -4.678 -8.187) 9.853 6.518 ( 0.185 0.112 -1.804) 1.817 7.193 ( -1.182 3.670 3.265) 5.052 8.112 ( 0.589 -0.774 7.044) 7.111 10.342 ( 1.670 -3.000 -2.127) 4.039 11.577 ( 4.474 11.569 8.788) 15.201 12.241 ( -3.420 -9.688 -0.000) 10.274 12.358 ( -1.113 -2.462 -8.215) 8.648 12.646 ( 1.758 1.014 -6.849) 7.143 12.948 ( -2.000 -0.515 -2.585) 3.309 13.295 ( 2.873 -1.089 3.643) 4.766 13.992 ( 3.255 5.525 1.757) 6.649 14.460 ( -1.054 -1.014 -2.193) 2.636 14.623 ( -0.966 0.075 4.121) 4.234 15.033 ( -3.703 -1.518 4.041) 5.687 15.427 ( 0.601 0.865 4.853) 4.966 ======================= Grid point 14 (11/123) ======================= q-point: (-0.24 -0.01 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -1.279 -4.528 -3.098) 5.633 1.465 ( -4.004 -5.367 -16.405) 17.719 1.500 ( -5.454 -7.870 -6.034) 11.318 1.565 ( 2.414 2.841 -7.719) 8.572 1.739 ( -2.661 1.524 -0.569) 3.119 1.827 ( 1.112 2.260 -1.725) 3.053 1.898 ( -0.256 -0.135 -2.344) 2.362 2.064 ( 6.691 1.183 -3.269) 7.540 2.206 ( 1.767 1.881 -0.229) 2.591 2.359 ( -0.638 -0.068 -1.163) 1.328 2.766 ( 0.932 1.434 -4.870) 5.161 2.853 ( 1.308 1.513 -1.990) 2.821 2.958 ( -2.204 1.500 7.036) 7.524 3.020 ( 0.112 -0.209 11.410) 11.413 3.247 ( -0.323 4.199 2.062) 4.689 3.356 ( 1.520 2.270 4.566) 5.321 3.552 ( 0.037 -6.533 10.340) 12.231 4.281 ( -7.526 3.385 13.205) 15.571 5.970 ( 0.245 -3.530 -4.368) 5.621 6.040 ( 0.955 2.506 -20.846) 21.018 6.497 ( 1.773 0.878 -6.754) 7.038 6.556 ( 2.481 0.530 -0.679) 2.626 7.105 ( 0.582 2.793 3.967) 4.886 7.858 ( -2.819 0.741 14.284) 14.579 10.485 ( 5.223 -5.272 -4.390) 8.622 11.355 ( -0.585 0.185 13.365) 13.379 12.206 ( -4.276 0.125 -4.799) 6.429 12.568 ( -0.196 -2.380 -10.032) 10.313 12.796 ( -5.233 1.811 -2.786) 6.199 12.915 ( -0.208 2.221 -4.839) 5.328 13.412 ( 8.852 -8.560 -2.651) 12.596 13.951 ( 1.865 0.005 6.426) 6.691 14.491 ( 0.614 4.033 3.823) 5.591 14.538 ( -1.114 -2.315 -4.415) 5.108 14.908 ( 2.654 4.311 7.254) 8.846 15.280 ( -0.016 1.713 9.570) 9.722 ======================= Grid point 15 (12/123) ======================= q-point: (-0.36 -0.01 -0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -1.463 -2.944 -3.636) 4.902 1.346 ( -5.365 -8.293 4.840) 10.999 1.475 ( -8.447 -4.963 -6.056) 11.518 1.649 ( -3.899 2.032 3.739) 5.772 1.889 ( -0.661 -0.220 -11.892) 11.912 2.043 ( 5.222 4.741 -9.054) 11.477 2.066 ( -0.503 1.732 -10.379) 10.535 2.267 ( 3.781 4.149 -0.633) 5.649 2.298 ( 4.798 -0.808 -6.073) 7.781 2.445 ( 4.036 -1.909 -5.256) 6.896 2.727 ( -0.775 -1.160 10.792) 10.881 2.786 ( 2.210 1.429 8.935) 9.315 2.841 ( 0.287 0.552 1.039) 1.211 2.917 ( 0.560 -1.032 -0.787) 1.414 3.079 ( -0.316 4.528 7.618) 8.868 3.311 ( 1.478 -2.070 11.032) 11.321 3.454 ( -1.824 2.376 -5.932) 6.645 3.860 ( -7.023 0.803 10.008) 12.253 6.101 ( 0.403 -0.058 -7.205) 7.216 6.484 ( 1.109 -2.892 5.399) 6.224 6.516 ( -1.305 -5.346 -22.404) 23.070 6.755 ( 3.484 7.354 -5.711) 9.941 7.056 ( 3.202 1.780 4.150) 5.536 7.444 ( -3.696 3.044 16.440) 17.123 10.721 ( 6.439 -4.511 -5.627) 9.668 11.086 ( 0.981 -2.816 11.251) 11.639 12.252 ( -4.030 4.455 -7.081) 9.286 12.530 ( -7.638 3.107 2.756) 8.695 12.841 ( -1.290 -2.245 -7.874) 8.289 13.020 ( -0.812 -7.261 -1.848) 7.537 13.703 ( 8.761 -1.555 -4.820) 10.120 13.881 ( 6.600 -1.117 6.246) 9.155 14.468 ( 0.775 -1.956 -3.185) 3.817 14.644 ( -1.190 1.185 -4.666) 4.959 14.821 ( 5.287 6.647 8.343) 11.906 15.043 ( -1.513 1.954 10.190) 10.486 ======================= Grid point 16 (13/123) ======================= q-point: ( 0.51 -0.01 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -3.128 7.622 3.680) 9.023 1.186 ( -2.129 -6.836 3.000) 7.763 1.419 ( -3.586 2.221 8.334) 9.340 1.485 ( -4.243 -4.628 -7.131) 9.501 2.040 ( 0.083 4.165 6.702) 7.891 2.109 ( 0.679 -2.848 -8.893) 9.363 2.327 ( 2.305 4.790 -2.652) 5.941 2.383 ( 2.253 -0.902 -3.056) 3.903 2.463 ( 0.112 3.017 5.901) 6.628 2.529 ( 1.075 -3.178 -3.708) 5.001 2.655 ( 3.627 1.432 8.172) 9.055 2.732 ( 4.909 -6.099 -4.177) 8.874 2.832 ( 0.184 1.959 -0.911) 2.169 2.853 ( -1.345 1.701 2.474) 3.290 3.029 ( 1.171 4.597 0.130) 4.746 3.163 ( -1.705 -7.390 -2.839) 8.098 3.522 ( -1.865 6.073 -4.388) 7.721 3.632 ( -4.185 -5.190 1.249) 6.783 6.276 ( 1.040 3.540 -6.565) 7.531 6.355 ( 0.723 -4.526 7.385) 8.692 6.725 ( -0.572 6.902 13.229) 14.933 6.876 ( -0.305 -8.085 -12.178) 14.621 7.106 ( 0.897 5.877 -0.964) 6.022 7.196 ( 0.486 -3.150 -3.048) 4.410 10.925 ( 2.959 0.636 7.269) 7.874 10.938 ( 3.618 -0.714 -2.631) 4.530 12.299 ( -3.678 4.779 -3.158) 6.807 12.358 ( -4.614 -1.029 -1.404) 4.931 12.909 ( -0.339 -2.249 2.265) 3.210 12.959 ( -1.999 -7.180 1.440) 7.591 13.847 ( 5.593 10.123 3.409) 12.057 13.983 ( 5.400 -2.558 0.715) 6.018 14.528 ( 1.176 8.703 10.556) 13.732 14.729 ( 2.049 -10.228 -14.225) 17.640 14.843 ( -0.144 1.583 -4.029) 4.331 14.873 ( -0.598 -1.785 2.294) 2.967 ======================= Grid point 17 (14/123) ======================= q-point: (-0.22 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -0.000 -10.868 -6.609) 12.720 0.748 ( -0.000 -6.533 -13.318) 14.834 0.816 ( -0.000 -8.881 -12.222) 15.108 1.584 ( -0.000 1.363 -7.883) 8.000 1.730 ( -0.000 -5.508 -21.043) 21.752 1.873 ( -0.000 3.700 -11.004) 11.609 1.990 ( -0.000 -2.222 -0.982) 2.429 2.234 ( 0.000 0.168 0.276) 0.323 2.400 ( -0.000 -1.481 -4.624) 4.856 2.572 ( -0.000 -0.662 -1.540) 1.677 2.599 ( 0.000 1.819 4.220) 4.595 2.820 ( 0.000 1.667 6.851) 7.051 3.076 ( 0.000 2.799 6.099) 6.711 3.141 ( 0.000 1.319 6.835) 6.961 3.404 ( -0.000 -1.721 -5.691) 5.945 3.413 ( 0.000 2.495 9.582) 9.901 3.816 ( 0.000 1.182 9.015) 9.092 3.841 ( 0.000 2.682 13.563) 13.825 5.987 ( -0.000 3.793 -10.722) 11.373 6.079 ( -0.000 -1.865 -7.225) 7.461 6.468 ( 0.000 -1.672 1.704) 2.387 7.098 ( 0.000 5.702 0.874) 5.768 7.323 ( 0.000 1.288 8.047) 8.149 7.641 ( 0.000 -0.710 4.726) 4.779 10.551 ( -0.000 -4.974 -6.178) 7.932 10.907 ( -0.000 -4.007 -1.970) 4.465 12.188 ( -0.000 -6.001 -4.867) 7.727 12.515 ( 0.000 4.805 3.178) 5.761 12.795 ( -0.000 10.224 -1.017) 10.274 12.862 ( -0.000 4.941 -7.352) 8.858 13.351 ( -0.000 -12.917 -12.745) 18.147 13.544 ( -0.000 -13.049 -2.613) 13.308 14.580 ( 0.000 2.807 5.663) 6.320 15.000 ( -0.000 13.032 -1.222) 13.089 15.146 ( 0.000 2.519 7.648) 8.052 15.564 ( 0.000 -3.918 16.065) 16.536 ======================= Grid point 18 (15/123) ======================= q-point: (-0.35 -0.03 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 8.126 -7.630 -6.829) 13.072 1.073 ( 3.812 -0.549 -12.288) 12.877 1.139 ( 4.319 -4.064 -12.484) 13.821 1.657 ( 3.174 1.922 0.762) 3.788 1.912 ( -1.787 0.524 -1.154) 2.190 2.134 ( -0.241 1.698 -11.459) 11.586 2.184 ( -4.764 -2.550 -0.136) 5.405 2.274 ( -1.024 -2.468 -18.653) 18.843 2.478 ( 1.120 2.743 6.371) 7.027 2.504 ( -1.723 0.726 -6.030) 6.313 2.599 ( 0.992 -0.270 2.147) 2.381 2.698 ( 2.439 -5.107 3.382) 6.593 2.880 ( -3.128 1.166 9.245) 9.829 3.011 ( -0.626 3.193 4.992) 5.959 3.173 ( -3.491 2.178 10.018) 10.830 3.353 ( -7.072 0.064 4.331) 8.293 3.608 ( 3.185 1.304 9.085) 9.715 3.765 ( 9.360 1.859 5.053) 10.798 6.173 ( -3.645 1.562 -9.928) 10.691 6.300 ( 0.136 -3.047 -11.715) 12.105 6.421 ( 2.411 -0.356 2.870) 3.765 7.080 ( -1.179 4.444 -1.045) 4.715 7.099 ( -4.010 -2.187 7.324) 8.631 7.505 ( 2.341 2.289 12.838) 13.249 10.692 ( -2.348 -2.294 -9.476) 10.028 10.930 ( -1.644 -3.008 -0.999) 3.571 12.258 ( 2.014 -3.811 0.059) 4.311 12.474 ( 4.194 1.825 5.144) 6.884 12.891 ( 2.034 6.444 -4.764) 8.268 13.034 ( 1.145 10.077 -7.988) 12.910 13.516 ( -7.528 -11.420 -8.280) 15.989 13.685 ( 0.876 -12.800 -9.507) 15.969 14.446 ( -1.776 2.212 4.329) 5.175 14.940 ( -1.337 4.813 3.130) 5.895 15.001 ( 1.389 1.558 8.203) 8.465 15.183 ( -5.022 2.911 14.067) 15.218 ======================= Grid point 19 (16/123) ======================= q-point: (-0.47 -0.03 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 6.790 -2.896 -5.181) 9.018 1.359 ( 2.920 4.937 -6.852) 8.935 1.477 ( 5.588 -1.858 -8.690) 10.498 1.691 ( 5.546 4.925 4.355) 8.602 1.931 ( -0.322 -6.356 -1.205) 6.477 2.018 ( -4.650 -3.731 -0.378) 5.974 2.272 ( -0.001 0.299 10.618) 10.623 2.374 ( -1.557 3.094 -3.086) 4.639 2.430 ( -0.090 -0.161 -2.152) 2.160 2.487 ( -6.052 0.224 9.171) 10.990 2.580 ( -3.251 -1.108 0.862) 3.541 2.724 ( -1.227 0.198 -7.085) 7.193 2.801 ( 2.396 -5.850 -6.167) 8.831 2.828 ( -3.346 6.256 5.057) 8.713 2.963 ( -2.082 0.750 2.345) 3.225 3.153 ( -5.802 -5.186 0.218) 7.785 3.577 ( 8.856 1.311 4.512) 10.025 3.848 ( 4.986 5.380 2.700) 7.816 6.201 ( -0.459 -1.900 2.329) 3.040 6.417 ( -1.460 3.554 -5.992) 7.118 6.648 ( 0.661 -2.167 -11.092) 11.321 6.865 ( -4.260 -6.393 4.304) 8.806 7.096 ( 1.880 5.187 9.753) 11.205 7.220 ( -0.290 0.270 4.611) 4.628 10.856 ( -3.196 0.190 -11.449) 11.888 10.859 ( -4.086 0.226 2.135) 4.616 12.297 ( 5.185 -4.005 3.219) 7.299 12.481 ( 5.929 -0.081 3.172) 6.724 12.994 ( -1.036 6.112 -2.215) 6.583 13.212 ( 2.810 10.411 -1.094) 10.839 13.482 ( -7.234 -10.665 -6.319) 14.353 13.820 ( -4.796 -5.333 -5.780) 9.212 14.403 ( -2.056 -1.977 -5.076) 5.822 14.758 ( -6.058 0.741 10.567) 12.203 14.863 ( 1.039 3.180 8.357) 9.001 14.916 ( 0.323 1.051 -1.129) 1.575 ======================= Grid point 20 (17/123) ======================= q-point: ( 0.40 -0.03 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 1.592 4.490 1.404) 4.966 1.464 ( -3.610 -2.968 -3.649) 5.929 1.664 ( 2.377 0.885 -1.009) 2.729 1.741 ( 6.893 2.451 2.615) 7.769 1.946 ( 2.737 0.853 4.075) 4.982 1.961 ( 2.757 2.907 12.379) 13.011 2.045 ( -4.642 -2.601 14.168) 15.135 2.075 ( -0.709 -2.015 1.036) 2.374 2.237 ( -4.853 1.925 4.797) 7.090 2.423 ( 0.080 0.549 3.695) 3.737 2.561 ( -2.998 -8.101 -5.802) 10.405 2.807 ( -1.001 3.121 -6.975) 7.707 2.883 ( 0.838 1.846 -5.689) 6.040 2.895 ( -1.381 -0.535 1.369) 2.017 3.025 ( 1.238 -3.081 -8.857) 9.458 3.114 ( -3.639 -7.914 -6.826) 11.066 3.705 ( 5.270 11.012 1.233) 12.270 3.969 ( 5.482 -2.071 -7.929) 9.860 6.118 ( 0.346 1.905 5.891) 6.201 6.397 ( -6.976 -6.658 14.016) 17.013 6.518 ( -0.409 1.153 -0.195) 1.239 6.774 ( 3.437 5.587 13.658) 15.151 6.955 ( -1.427 -3.209 -6.308) 7.219 7.480 ( 3.693 -1.195 -16.708) 17.153 10.689 ( -5.101 4.635 4.198) 8.070 11.037 ( -3.260 -2.780 -11.381) 12.160 12.337 ( 6.319 1.585 3.447) 7.371 12.604 ( 5.209 -3.904 -2.616) 7.015 12.906 ( -0.018 2.834 8.312) 8.782 13.062 ( -6.589 -0.001 7.415) 9.919 13.544 ( -1.575 -1.432 -1.581) 2.651 13.817 ( -6.347 5.353 -6.869) 10.776 14.397 ( -2.850 -2.550 3.200) 4.987 14.574 ( -1.305 -6.289 -3.372) 7.254 14.813 ( 2.861 7.197 -0.701) 7.776 15.030 ( 1.681 -3.255 -7.056) 7.950 ======================= Grid point 21 (18/123) ======================= q-point: ( 0.28 -0.03 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -3.878 4.280 2.813) 6.424 1.316 ( -8.446 -5.817 5.410) 11.595 1.486 ( -5.959 -2.136 18.236) 19.303 1.633 ( 2.918 1.913 10.041) 10.630 1.827 ( 1.420 0.680 -0.515) 1.656 1.870 ( 1.127 0.395 1.264) 1.739 1.936 ( 0.143 6.095 1.065) 6.189 2.048 ( 1.103 2.712 4.186) 5.109 2.230 ( 6.692 1.685 -0.883) 6.957 2.378 ( -0.616 0.734 1.361) 1.665 2.576 ( -2.697 -10.969 -1.521) 11.397 2.836 ( 1.311 1.626 2.561) 3.305 2.956 ( 1.477 -2.494 -6.229) 6.870 3.065 ( 1.028 1.563 -8.178) 8.389 3.151 ( 0.229 -4.435 -3.740) 5.806 3.321 ( 1.238 -0.900 -11.138) 11.242 3.788 ( 1.374 12.822 -3.916) 13.477 4.279 ( 1.713 -7.182 -9.334) 11.901 5.854 ( -2.987 -3.055 12.320) 13.040 6.075 ( 0.767 0.627 7.842) 7.904 6.531 ( -0.769 0.581 -0.095) 0.968 6.628 ( 6.135 7.054 9.293) 13.182 7.037 ( 1.178 -4.595 -2.667) 5.442 7.887 ( 0.862 -0.252 -14.587) 14.615 10.503 ( -3.875 5.787 3.951) 8.007 11.167 ( -4.949 -9.614 -8.137) 13.533 12.421 ( 2.046 8.630 -0.555) 8.887 12.595 ( -0.805 1.942 6.544) 6.873 12.766 ( -2.853 -4.068 8.323) 9.693 12.900 ( 7.980 -4.759 -0.635) 9.313 13.384 ( -10.248 9.369 2.624) 14.131 13.791 ( -5.182 -9.517 -1.341) 10.919 14.425 ( 1.937 -0.897 -5.641) 6.032 14.638 ( 4.982 2.049 1.959) 5.732 14.977 ( 4.843 4.331 -5.742) 8.671 15.236 ( 0.587 -3.174 -9.009) 9.570 ======================= Grid point 22 (19/123) ======================= q-point: ( 0.15 -0.03 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -8.357 0.988 7.689) 11.399 0.951 ( -6.204 -2.870 10.954) 12.912 1.046 ( -11.162 -6.227 4.240) 13.467 1.512 ( 4.611 3.402 7.209) 9.209 1.733 ( -6.938 -0.422 -0.134) 6.952 1.879 ( -6.898 -0.929 3.170) 7.649 1.922 ( 1.083 -0.436 0.904) 1.476 2.048 ( 4.816 4.446 -1.168) 6.658 2.310 ( -0.403 1.993 0.234) 2.046 2.417 ( 6.163 1.616 -0.221) 6.376 2.539 ( -0.790 -9.143 0.741) 9.207 2.887 ( 4.886 6.864 -0.868) 8.470 3.103 ( 1.691 -2.693 -3.771) 4.933 3.182 ( 1.030 -0.571 1.935) 2.265 3.224 ( 0.719 0.549 -4.588) 4.677 3.554 ( 1.331 -0.158 -7.292) 7.415 3.912 ( 1.138 10.162 -4.539) 11.188 4.355 ( -5.647 -9.977 -3.917) 12.116 5.716 ( 4.107 1.209 4.310) 6.075 5.946 ( -1.366 0.182 3.737) 3.983 6.495 ( -0.253 0.024 1.671) 1.690 6.679 ( 12.124 10.921 3.179) 16.624 7.141 ( 4.174 -6.758 -1.954) 8.180 8.072 ( -4.433 0.494 -6.307) 7.725 10.384 ( -1.152 3.397 2.152) 4.183 11.160 ( -7.345 -12.414 -3.495) 14.841 12.274 ( -6.454 0.765 4.257) 7.769 12.537 ( 3.218 -2.004 5.662) 6.814 12.723 ( 3.650 13.548 -2.264) 14.212 12.995 ( -2.744 4.214 2.617) 5.669 13.220 ( -1.531 -4.933 -5.242) 7.359 13.704 ( -4.827 -9.733 -1.053) 10.916 14.577 ( 3.711 3.676 -0.335) 5.234 14.668 ( 2.976 2.060 2.517) 4.408 15.222 ( 8.866 -2.919 -3.573) 9.994 15.396 ( -0.613 1.724 -5.640) 5.929 ======================= Grid point 23 (20/123) ======================= q-point: ( 0.03 -0.03 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -8.496 -6.808 -0.000) 10.887 0.657 ( -12.162 -4.058 -0.000) 12.821 0.805 ( -9.515 -8.158 -0.000) 12.533 1.461 ( -21.886 -10.260 -0.000) 24.172 1.531 ( 4.053 4.927 0.000) 6.380 1.643 ( -4.309 -0.587 -0.000) 4.349 1.964 ( 1.602 0.061 0.000) 1.604 2.172 ( 5.333 1.680 0.000) 5.591 2.284 ( -1.162 1.918 0.000) 2.243 2.536 ( 0.993 -5.396 -0.000) 5.487 2.544 ( 5.378 1.667 0.000) 5.630 2.994 ( 2.167 8.736 0.000) 9.001 3.169 ( 1.795 -1.013 -0.000) 2.061 3.170 ( 1.347 0.153 0.000) 1.356 3.292 ( 0.959 0.314 0.000) 1.009 3.655 ( 0.776 1.064 0.000) 1.317 3.993 ( 1.400 6.971 0.000) 7.110 4.296 ( -4.427 -5.216 -0.000) 6.841 5.706 ( -0.418 6.790 0.000) 6.803 5.906 ( 1.544 -3.855 -0.000) 4.152 6.469 ( -0.240 -0.805 -0.000) 0.840 6.952 ( 14.388 12.624 0.000) 19.142 7.272 ( 5.879 -5.267 -0.000) 7.893 8.004 ( -7.420 -0.740 -0.000) 7.457 10.365 ( 1.387 -0.566 0.000) 1.498 11.036 ( -7.529 -9.931 -0.000) 12.463 12.097 ( -5.305 -1.236 -0.000) 5.447 12.551 ( 4.283 -4.147 -0.000) 5.961 12.790 ( -0.137 15.270 0.000) 15.271 12.872 ( -4.359 6.306 0.000) 7.667 13.341 ( 2.021 -4.644 -0.000) 5.065 13.636 ( -5.289 -2.111 -0.000) 5.695 14.566 ( 1.559 2.995 0.000) 3.376 14.698 ( 0.836 0.697 0.000) 1.088 15.402 ( -0.417 -3.731 -0.000) 3.755 15.521 ( 12.415 -3.690 0.000) 12.952 ======================= Grid point 24 (21/123) ======================= q-point: (-0.10 -0.03 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -9.606 -5.158 -7.271) 13.105 0.603 ( -9.386 -8.501 -9.970) 16.117 0.680 ( -5.868 -11.737 -6.576) 14.678 1.207 ( -12.453 -14.384 -19.830) 27.481 1.606 ( -2.908 -1.492 -3.135) 4.529 1.666 ( 1.934 4.809 -6.419) 8.250 1.984 ( 0.779 -0.889 0.243) 1.206 2.233 ( 2.050 1.323 1.607) 2.922 2.309 ( 1.307 -0.277 -2.543) 2.873 2.554 ( 0.029 -1.877 -0.469) 1.934 2.623 ( 2.821 1.716 1.002) 3.450 2.950 ( -1.555 5.652 3.720) 6.943 3.157 ( 1.453 2.680 3.331) 4.515 3.259 ( 0.911 0.247 3.346) 3.477 3.270 ( 1.606 -1.845 -3.040) 3.902 3.590 ( 0.385 2.102 6.853) 7.178 3.958 ( 1.165 4.649 5.688) 7.438 4.133 ( -3.810 -0.493 7.725) 8.628 5.777 ( -0.432 5.928 -8.111) 10.056 5.971 ( 1.607 -2.542 -2.312) 3.793 6.482 ( -0.503 -0.721 -1.072) 1.387 7.105 ( 3.603 10.084 3.286) 11.201 7.375 ( 7.655 -1.573 4.493) 9.014 7.805 ( -7.270 -2.528 3.386) 8.409 10.433 ( 2.066 -4.226 -2.784) 5.466 10.902 ( -3.349 -6.612 -0.021) 7.412 12.084 ( -1.871 -4.214 -5.472) 7.156 12.652 ( -2.260 4.639 2.110) 5.575 12.730 ( -2.161 8.391 -2.395) 8.989 12.812 ( -1.665 8.255 -1.664) 8.584 13.205 ( -3.760 -8.484 1.641) 9.424 13.522 ( -2.073 -13.441 -0.911) 13.630 14.670 ( 0.868 2.574 3.400) 4.352 14.824 ( 3.796 14.397 -11.641) 18.900 15.309 ( -2.476 3.012 4.528) 5.976 15.746 ( 15.023 -11.503 11.816) 22.307 ======================= Grid point 25 (22/123) ======================= q-point: ( 0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 0.000 10.865 6.404) 12.612 0.486 ( 0.000 11.748 11.621) 16.525 0.614 ( 0.000 14.328 6.215) 15.618 1.071 ( 0.000 17.602 27.642) 32.771 1.576 ( 0.000 1.173 2.752) 2.991 1.687 ( 0.000 -5.079 6.294) 8.088 1.992 ( -0.000 1.199 -0.274) 1.230 2.249 ( -0.000 -2.255 -0.835) 2.405 2.333 ( 0.000 3.015 1.766) 3.494 2.550 ( 0.000 0.021 0.573) 0.573 2.653 ( -0.000 -1.556 -1.267) 2.007 2.926 ( -0.000 -4.783 -3.223) 5.767 3.174 ( -0.000 -3.025 -3.180) 4.389 3.268 ( -0.000 -0.486 -4.519) 4.545 3.289 ( 0.000 2.229 4.531) 5.049 3.594 ( -0.000 -2.663 -6.807) 7.310 3.974 ( -0.000 -2.020 -5.502) 5.861 4.089 ( -0.000 -2.400 -9.138) 9.448 5.772 ( 0.000 -5.711 8.682) 10.392 5.989 ( 0.000 1.990 2.151) 2.930 6.474 ( 0.000 1.139 0.586) 1.281 7.118 ( -0.000 -8.561 -0.736) 8.593 7.495 ( -0.000 -2.039 -9.028) 9.256 7.699 ( -0.000 6.057 -1.347) 6.205 10.457 ( 0.000 5.941 2.839) 6.584 10.873 ( 0.000 4.960 1.126) 5.086 12.070 ( 0.000 5.151 5.585) 7.598 12.561 ( -0.000 -8.587 -1.527) 8.722 12.728 ( 0.000 -0.812 5.271) 5.333 12.797 ( 0.000 -11.707 -0.615) 11.723 13.150 ( 0.000 12.291 6.062) 13.705 13.506 ( 0.000 15.002 1.033) 15.037 14.678 ( -0.000 -2.738 -3.336) 4.316 14.870 ( 0.000 -18.067 12.422) 21.926 15.278 ( -0.000 -3.659 -4.492) 5.794 15.948 ( -0.000 10.111 -21.580) 23.831 ======================= Grid point 26 (23/123) ======================= q-point: ( 0.04 -0.04 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 7.421 10.709 0.000) 13.029 0.411 ( 10.927 8.923 0.000) 14.107 0.632 ( 6.834 12.505 0.000) 14.250 0.993 ( 21.323 23.090 0.000) 31.430 1.569 ( 2.387 0.324 0.000) 2.409 1.597 ( -1.966 -5.316 -0.000) 5.667 1.988 ( -0.773 0.869 0.000) 1.163 2.265 ( 0.646 -2.367 -0.000) 2.454 2.269 ( -3.875 1.504 -0.000) 4.157 2.551 ( -0.186 1.247 0.000) 1.261 2.633 ( -3.032 -1.522 -0.000) 3.392 2.995 ( 1.625 -7.853 -0.000) 8.019 3.202 ( -1.225 1.320 0.000) 1.801 3.208 ( -1.829 -2.002 -0.000) 2.712 3.309 ( -0.676 -0.317 -0.000) 0.746 3.667 ( -0.361 -2.261 -0.000) 2.290 4.020 ( -1.188 -4.141 -0.000) 4.308 4.221 ( 2.691 0.200 0.000) 2.698 5.680 ( 1.360 -6.795 -0.000) 6.929 5.946 ( -1.717 3.314 0.000) 3.732 6.466 ( 0.096 0.936 0.000) 0.941 7.160 ( -3.014 -14.907 -0.000) 15.209 7.430 ( -10.951 3.763 -0.000) 11.579 7.851 ( 6.888 2.758 0.000) 7.420 10.405 ( -1.996 4.478 0.000) 4.903 10.905 ( 4.610 6.631 0.000) 8.076 12.013 ( 2.752 2.684 0.000) 3.844 12.629 ( -2.893 3.928 0.000) 4.878 12.761 ( 7.230 -16.876 -0.000) 18.359 12.790 ( -0.347 -8.344 -0.000) 8.351 13.296 ( 9.843 -5.689 -0.000) 11.368 13.517 ( 3.649 11.615 0.000) 12.174 14.590 ( -0.715 -2.275 -0.000) 2.385 14.710 ( -0.366 -2.141 -0.000) 2.172 15.358 ( 2.539 -3.303 -0.000) 4.166 15.903 ( -24.837 15.699 0.000) 29.382 ======================= Grid point 27 (24/123) ======================= q-point: (-0.09 -0.04 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 10.475 1.188 -6.538) 12.405 0.796 ( 8.677 5.130 -11.144) 15.027 0.836 ( 8.974 8.617 -6.599) 14.083 1.506 ( 12.977 4.170 -5.468) 14.687 1.614 ( -2.168 -3.055 -6.751) 7.720 1.701 ( 6.722 3.081 -5.458) 9.190 1.960 ( -1.608 0.219 0.229) 1.639 2.156 ( -4.953 -2.110 1.452) 5.576 2.301 ( 0.246 -1.633 -1.646) 2.331 2.537 ( -4.329 -0.344 0.394) 4.360 2.546 ( -1.648 4.001 -0.659) 4.377 2.957 ( -1.460 -6.786 2.889) 7.519 3.127 ( -1.123 -0.613 3.856) 4.063 3.220 ( -2.427 1.503 -3.129) 4.236 3.243 ( -1.068 -0.392 4.253) 4.403 3.577 ( -0.888 -0.944 7.051) 7.169 3.935 ( -1.091 -8.002 5.144) 9.575 4.233 ( 5.677 5.254 5.462) 9.469 5.776 ( -1.192 -5.266 -5.877) 7.980 5.938 ( -0.955 2.681 -3.255) 4.324 6.490 ( 0.258 0.435 -1.573) 1.653 6.936 ( -11.645 -10.407 0.825) 15.639 7.241 ( -5.510 4.137 2.924) 7.485 7.954 ( 6.781 0.484 4.551) 8.181 10.391 ( -1.577 0.488 -2.527) 3.019 11.011 ( 6.750 9.603 2.094) 11.923 12.154 ( 4.802 2.330 -4.719) 7.124 12.614 ( -3.644 1.075 -4.761) 6.091 12.763 ( -0.240 -14.471 2.528) 14.692 12.891 ( 5.402 -5.172 -3.125) 8.105 13.236 ( -0.831 7.380 6.666) 9.980 13.601 ( 4.995 9.445 0.950) 10.727 14.639 ( -2.175 -2.730 2.749) 4.443 14.740 ( -3.976 -8.094 -8.487) 12.383 15.354 ( 1.008 2.400 4.482) 5.183 15.457 ( -11.565 3.013 5.886) 13.322 ======================= Grid point 28 (25/123) ======================= q-point: (-0.21 -0.04 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 6.738 -0.082 -3.891) 7.782 1.131 ( 9.214 4.409 -7.591) 12.726 1.316 ( 10.115 3.000 -13.292) 16.971 1.694 ( -2.607 -3.014 -8.626) 9.502 1.767 ( 3.409 -0.447 -3.692) 5.045 1.918 ( -2.116 -0.739 -2.965) 3.716 2.006 ( -2.617 -3.582 -1.489) 4.679 2.032 ( 1.150 0.931 -4.389) 4.631 2.330 ( -1.617 -2.414 -1.891) 3.466 2.412 ( -5.447 -1.738 0.192) 5.721 2.557 ( -0.266 8.708 -0.920) 8.760 2.871 ( -1.643 -2.654 0.828) 3.230 2.980 ( -0.828 1.144 7.969) 8.093 3.090 ( -1.337 -1.435 7.381) 7.637 3.175 ( -2.378 3.780 3.652) 5.769 3.352 ( -1.681 0.345 10.983) 11.116 3.806 ( -0.355 -11.767 4.591) 12.636 4.239 ( 5.238 5.850 6.990) 10.513 5.847 ( -2.105 1.458 -8.343) 8.727 6.079 ( 0.242 -0.121 -8.915) 8.919 6.518 ( 0.534 -0.196 0.330) 0.658 6.781 ( -8.260 -7.739 -6.664) 13.135 7.078 ( -2.795 3.734 4.118) 6.222 7.877 ( 1.917 -0.151 12.150) 12.301 10.458 ( 0.496 -3.104 -4.996) 5.902 11.058 ( 5.325 9.531 5.917) 12.418 12.364 ( 5.398 -0.538 -3.493) 6.452 12.614 ( -1.520 -6.162 0.293) 6.354 12.772 ( -2.314 -0.381 -8.390) 8.712 13.048 ( -6.150 6.022 -1.507) 8.738 13.169 ( 9.606 -6.594 -2.129) 11.844 13.695 ( 4.341 11.245 -0.333) 12.059 14.476 ( -2.743 -0.605 6.806) 7.363 14.758 ( -6.145 -6.901 -3.536) 9.893 15.104 ( -7.590 -1.630 7.706) 10.938 15.239 ( 0.415 1.756 8.594) 8.781 ======================= Grid point 29 (26/123) ======================= q-point: (-0.34 -0.04 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 2.348 -2.855 -5.142) 6.333 1.376 ( 4.073 4.408 0.375) 6.014 1.694 ( 2.414 -0.368 -1.937) 3.117 1.770 ( 4.078 2.481 -0.270) 4.781 1.907 ( -1.194 -2.357 -9.563) 9.921 1.977 ( 2.480 -4.160 -7.077) 8.575 2.048 ( -3.691 0.090 -9.220) 9.932 2.163 ( -0.082 -0.125 -6.227) 6.229 2.205 ( -8.306 -0.987 1.119) 8.438 2.411 ( 1.359 -0.963 -1.213) 2.060 2.553 ( -1.797 6.894 -0.523) 7.144 2.783 ( 1.225 -1.968 10.137) 10.398 2.863 ( 1.016 0.254 0.772) 1.301 2.918 ( -1.827 -1.352 3.870) 4.488 3.029 ( 1.696 7.491 7.138) 10.485 3.081 ( -1.556 2.441 10.610) 10.998 3.763 ( -0.684 -11.162 -2.027) 11.366 4.064 ( -2.945 1.223 10.361) 10.841 6.097 ( 2.363 -2.079 -10.107) 10.586 6.301 ( 1.810 7.327 -10.011) 12.538 6.509 ( 0.578 -1.326 -0.888) 1.697 6.849 ( -3.604 -4.633 -9.024) 10.765 6.949 ( -0.913 2.186 3.629) 4.334 7.540 ( -2.060 -0.015 17.679) 17.798 10.612 ( 2.234 -3.852 -6.426) 7.818 10.973 ( 2.865 4.329 9.768) 11.061 12.441 ( -2.887 -3.895 -2.666) 5.533 12.620 ( 2.588 3.353 3.244) 5.335 12.947 ( 0.770 0.595 -5.855) 5.935 12.981 ( -3.954 4.281 -8.164) 10.031 13.449 ( 7.844 -8.079 -3.779) 11.877 13.738 ( 1.629 2.590 4.670) 5.583 14.346 ( 1.391 3.268 -0.064) 3.552 14.626 ( -5.814 1.342 4.967) 7.763 14.871 ( -2.680 -6.415 1.881) 7.202 15.054 ( -0.617 2.646 7.767) 8.229 ======================= Grid point 30 (27/123) ======================= q-point: ( 0.54 -0.04 -0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -6.310 1.095 2.491) 6.872 1.377 ( 1.599 -3.715 3.604) 5.417 1.613 ( -6.974 3.347 3.898) 8.661 1.785 ( -1.862 -1.422 -1.101) 2.589 1.951 ( -1.429 2.120 0.291) 2.574 1.984 ( -4.150 3.642 4.180) 6.925 2.219 ( 5.883 -2.080 -5.703) 8.454 2.300 ( 6.522 -1.996 0.566) 6.844 2.380 ( 1.793 1.221 -7.165) 7.486 2.411 ( 1.715 1.533 0.499) 2.354 2.558 ( -1.093 -1.684 -3.974) 4.452 2.669 ( 3.471 -5.964 4.279) 8.120 2.814 ( -1.291 -0.124 -0.765) 1.506 2.857 ( -2.770 7.100 3.605) 8.431 2.918 ( 2.035 -0.766 -1.175) 2.472 3.040 ( 5.104 6.574 -0.503) 8.338 3.748 ( -7.362 -3.617 -0.249) 8.206 3.907 ( -0.525 -5.949 -3.910) 7.139 6.217 ( -2.114 0.899 -0.425) 2.336 6.365 ( 3.486 -3.531 4.008) 6.378 6.670 ( -1.509 4.001 7.373) 8.523 6.780 ( 3.820 7.109 -4.531) 9.255 7.136 ( -1.957 -4.744 -8.123) 9.608 7.205 ( 1.110 -1.853 0.004) 2.160 10.791 ( 2.096 -0.254 -2.448) 3.233 10.801 ( 2.177 -0.453 7.526) 7.848 12.413 ( -5.865 3.150 -2.574) 7.138 12.562 ( -1.237 -0.453 0.598) 1.447 12.990 ( -0.994 -2.301 0.193) 2.514 13.173 ( 6.426 1.199 -2.096) 6.865 13.453 ( -4.713 -1.666 8.453) 9.821 13.712 ( 5.689 0.252 0.795) 5.749 14.386 ( -0.900 3.606 5.890) 6.964 14.601 ( 8.195 0.614 -9.607) 12.643 14.892 ( -1.496 -2.267 -6.097) 6.675 14.925 ( -0.153 -1.211 2.689) 2.953 ======================= Grid point 31 (28/123) ======================= q-point: ( 0.41 -0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -8.492 4.749 5.310) 11.084 1.176 ( -5.774 -0.431 10.434) 11.933 1.279 ( -9.180 3.835 9.261) 13.593 1.745 ( -4.922 -1.897 -0.215) 5.279 1.868 ( 2.172 0.902 3.074) 3.870 2.055 ( 5.674 1.541 -1.937) 6.190 2.140 ( 0.720 -1.493 11.339) 11.459 2.246 ( 1.697 0.895 13.694) 13.828 2.452 ( 2.910 -1.178 3.575) 4.758 2.483 ( 1.547 -3.555 -1.427) 4.132 2.611 ( 0.185 2.049 2.202) 3.014 2.746 ( -1.382 2.746 -7.890) 8.467 2.824 ( 0.891 0.895 -7.654) 7.757 2.987 ( 1.590 -2.816 -6.161) 6.958 3.087 ( 4.334 -0.817 -10.215) 11.126 3.225 ( 5.149 2.910 -5.861) 8.327 3.684 ( -3.644 -4.958 -5.203) 8.057 3.949 ( -7.896 -2.062 -6.274) 10.293 6.096 ( 3.201 0.195 9.627) 10.147 6.302 ( 0.060 3.230 10.587) 11.069 6.465 ( -1.742 -1.222 -0.771) 2.263 7.007 ( 4.501 2.165 -4.613) 6.799 7.044 ( 2.343 -4.048 2.378) 5.247 7.549 ( -1.585 -1.756 -15.460) 15.640 10.635 ( 2.694 -0.060 9.170) 9.557 10.907 ( 0.247 4.447 -2.420) 5.068 12.321 ( -4.034 3.133 0.879) 5.183 12.557 ( -3.082 -2.619 -3.365) 5.261 12.924 ( -0.676 -3.370 3.367) 4.812 13.102 ( -5.888 -11.603 7.878) 15.210 13.332 ( 9.787 10.632 7.879) 16.460 13.697 ( -0.547 11.650 5.590) 12.933 14.398 ( 2.598 -0.966 -4.506) 5.290 14.904 ( 2.810 -6.619 0.314) 7.197 15.008 ( 2.765 -2.364 -11.604) 12.160 15.065 ( 3.487 0.662 -10.342) 10.934 ======================= Grid point 32 (29/123) ======================= q-point: ( 0.29 -0.04 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -10.000 6.543 5.385) 13.107 0.806 ( -5.228 6.693 11.899) 14.619 0.888 ( -7.000 7.257 11.122) 15.012 1.611 ( -2.432 -1.434 7.678) 8.180 1.762 ( -2.513 3.124 16.643) 17.119 1.857 ( 0.835 -1.316 12.147) 12.247 1.989 ( 0.244 1.809 1.973) 2.688 2.202 ( 3.051 -0.397 -1.212) 3.306 2.384 ( 1.208 -0.162 4.702) 4.857 2.573 ( 0.609 1.756 0.318) 1.886 2.584 ( 1.094 -1.480 -1.977) 2.701 2.842 ( -1.892 -1.810 -6.599) 7.100 3.053 ( 2.031 -2.408 -6.666) 7.372 3.136 ( 0.561 -1.463 -6.594) 6.778 3.343 ( 4.284 0.716 -0.078) 4.344 3.415 ( 0.791 -0.395 -7.223) 7.277 3.797 ( 0.104 -5.680 -8.907) 10.564 3.935 ( -6.785 1.072 -9.923) 12.069 5.972 ( 1.674 -3.323 9.193) 9.917 6.071 ( 0.434 1.725 8.221) 8.411 6.484 ( -1.187 1.117 -1.466) 2.192 7.064 ( 3.511 -6.087 -0.422) 7.040 7.255 ( 5.140 0.129 -6.729) 8.468 7.707 ( -5.083 -0.000 -6.549) 8.291 10.526 ( 2.214 3.527 6.116) 7.399 10.911 ( -0.916 5.414 0.770) 5.544 12.203 ( -1.623 5.026 4.929) 7.224 12.568 ( -3.731 -5.836 -4.105) 8.052 12.836 ( -3.097 -6.761 1.130) 7.522 12.860 ( -0.626 -7.361 7.670) 10.649 13.300 ( 4.520 12.527 9.529) 16.376 13.562 ( -1.705 12.779 3.142) 13.270 14.567 ( 1.268 -2.509 -5.959) 6.589 14.959 ( 3.405 -12.084 1.835) 12.688 15.177 ( -2.216 -2.202 -7.733) 8.340 15.476 ( 7.718 3.662 -13.437) 15.923 ======================= Grid point 33 (30/123) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -0.000 -8.747 -4.919) 10.035 1.163 ( -0.000 6.773 -2.803) 7.330 1.383 ( -0.000 -1.421 -9.255) 9.364 1.439 ( 0.000 4.674 8.109) 9.360 2.041 ( -0.000 -3.917 -6.996) 8.017 2.114 ( 0.000 3.814 10.084) 10.782 2.353 ( 0.000 -5.100 2.286) 5.589 2.406 ( 0.000 0.296 3.551) 3.563 2.465 ( -0.000 -3.671 -2.845) 4.644 2.539 ( -0.000 3.783 -0.196) 3.788 2.701 ( -0.000 -2.735 -9.689) 10.068 2.792 ( 0.000 4.050 4.284) 5.895 2.829 ( 0.000 -0.249 1.755) 1.773 2.837 ( -0.000 -1.699 -4.672) 4.971 3.058 ( -0.000 -0.614 -3.629) 3.681 3.120 ( 0.000 5.327 10.618) 11.879 3.515 ( 0.000 -3.911 3.778) 5.438 3.576 ( -0.000 2.448 -2.253) 3.327 6.288 ( 0.000 -3.300 8.446) 9.067 6.363 ( -0.000 4.241 -9.033) 9.979 6.720 ( -0.000 -6.835 -14.143) 15.708 6.873 ( 0.000 8.545 13.266) 15.780 7.115 ( 0.000 -5.849 0.256) 5.855 7.201 ( 0.000 2.787 3.604) 4.556 10.959 ( -0.000 -1.070 -7.198) 7.277 10.980 ( 0.000 1.094 2.153) 2.415 12.257 ( 0.000 -4.355 2.939) 5.254 12.305 ( 0.000 0.354 2.438) 2.464 12.908 ( -0.000 3.270 -5.942) 6.782 12.938 ( 0.000 6.538 1.639) 6.740 13.906 ( -0.000 -10.093 -2.696) 10.447 14.042 ( -0.000 2.221 -1.723) 2.811 14.541 ( -0.000 -9.007 -11.605) 14.691 14.750 ( 0.000 10.028 16.793) 19.559 14.841 ( 0.000 -1.222 2.025) 2.365 14.867 ( -0.000 2.158 -1.395) 2.569 ======================= Grid point 34 (31/123) ======================= q-point: ( 0.43 -0.05 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.632 3.738 1.169) 3.967 1.233 ( 5.280 10.294 -1.385) 11.652 1.332 ( 4.930 4.519 6.128) 9.071 1.583 ( 2.231 -0.228 -5.702) 6.127 1.874 ( 0.632 -1.097 11.688) 11.756 2.043 ( 0.693 -2.191 14.600) 14.779 2.163 ( -4.983 -6.536 2.943) 8.730 2.283 ( 0.879 -5.529 1.509) 5.798 2.401 ( -4.014 2.509 6.683) 8.189 2.551 ( -5.021 3.081 3.557) 6.881 2.703 ( 0.942 6.209 -4.342) 7.635 2.836 ( -2.045 -1.098 -7.807) 8.145 2.850 ( -0.529 -2.451 -2.102) 3.272 2.916 ( 0.682 2.692 1.163) 3.011 3.074 ( 0.197 -4.311 -7.914) 9.014 3.306 ( 1.647 0.925 -12.370) 12.514 3.449 ( -1.305 -7.744 1.521) 7.999 3.724 ( 5.605 0.823 -6.856) 8.894 6.107 ( -0.231 -1.068 7.832) 7.908 6.493 ( 0.433 5.761 17.591) 18.515 6.504 ( -0.306 3.433 -1.100) 3.618 6.817 ( -2.242 -6.946 2.414) 7.688 7.131 ( -3.823 -1.847 -2.684) 5.023 7.360 ( 4.205 -4.363 -14.810) 16.002 10.855 ( -5.907 5.560 3.847) 8.978 11.099 ( -0.132 4.310 -7.582) 8.723 12.190 ( 1.506 -6.800 5.554) 8.908 12.363 ( 7.735 -5.602 -0.665) 9.573 12.831 ( 0.015 6.784 8.196) 10.639 13.004 ( 0.585 7.652 -1.385) 7.798 13.851 ( -5.232 -4.004 4.568) 8.017 14.011 ( -5.214 6.750 -3.047) 9.057 14.475 ( 0.048 5.483 5.935) 8.080 14.630 ( 0.213 -6.657 3.132) 7.360 14.902 ( -2.026 -4.018 -5.379) 7.013 15.026 ( -0.262 -4.649 -14.933) 15.642 ======================= Grid point 35 (32/123) ======================= q-point: ( 0.30 -0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 1.000 8.372 3.484) 9.123 1.326 ( 8.110 6.404 10.433) 14.684 1.381 ( 5.668 10.782 3.477) 12.668 1.586 ( 1.069 -2.129 7.837) 8.191 1.663 ( 2.233 -1.381 9.421) 9.780 1.844 ( 0.972 -3.943 -0.934) 4.167 1.983 ( -6.993 -3.554 2.173) 8.139 2.161 ( -2.603 1.736 6.135) 6.887 2.294 ( -6.306 -4.036 -0.918) 7.543 2.356 ( -0.807 0.508 2.300) 2.490 2.776 ( 0.168 0.758 5.459) 5.514 2.853 ( 2.616 2.781 0.280) 3.828 2.922 ( -0.122 -4.026 -4.397) 5.963 3.037 ( -1.424 -1.285 -11.183) 11.346 3.250 ( -0.504 -3.603 -5.721) 6.780 3.383 ( -0.917 -3.258 -0.883) 3.498 3.569 ( -1.671 2.931 -11.746) 12.221 4.096 ( 9.635 -3.224 -11.697) 15.494 5.937 ( 2.157 2.928 12.920) 13.422 6.085 ( -2.178 -0.675 12.165) 12.377 6.526 ( -0.885 -0.264 1.733) 1.964 6.650 ( -5.769 -5.203 3.530) 8.533 7.127 ( -1.525 -3.780 -2.424) 4.742 7.783 ( 4.252 -0.877 -14.659) 15.288 10.621 ( -7.653 7.295 3.725) 11.210 11.314 ( 3.140 5.864 -10.067) 12.066 12.122 ( 3.356 -6.247 4.979) 8.665 12.540 ( 4.167 0.992 4.907) 6.514 12.649 ( 5.727 -4.128 6.045) 9.295 12.956 ( -2.474 5.968 4.392) 7.812 13.577 ( -6.795 6.629 5.704) 11.075 14.010 ( -3.797 5.497 -5.353) 8.561 14.482 ( 1.182 0.768 -3.101) 3.406 14.538 ( -0.704 -4.423 4.070) 6.052 14.975 ( -2.495 -7.848 -5.459) 9.880 15.306 ( -3.069 -3.483 -13.380) 14.162 ======================= Grid point 36 (33/123) ======================= q-point: ( 0.18 -0.05 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 2.294 5.518 2.131) 6.345 1.083 ( 0.630 1.892 14.451) 14.588 1.346 ( 1.251 -3.690 9.816) 10.562 1.402 ( 2.340 9.613 3.262) 10.418 1.802 ( -1.527 -2.532 -2.104) 3.629 1.814 ( 1.408 0.677 0.383) 1.608 1.879 ( 0.450 -0.767 0.361) 0.960 2.071 ( -1.688 0.693 -5.080) 5.397 2.204 ( -1.682 -1.534 0.078) 2.278 2.349 ( 0.066 -0.318 -0.257) 0.414 2.593 ( -0.844 -0.379 10.015) 10.058 2.849 ( -2.174 -0.665 -0.877) 2.437 3.065 ( 3.775 -3.440 -3.276) 6.068 3.184 ( -0.939 -0.885 -1.038) 1.657 3.224 ( -1.418 0.353 -1.804) 2.321 3.526 ( 0.949 -1.771 -7.461) 7.727 3.746 ( -0.652 2.684 -6.948) 7.477 4.524 ( 8.086 -2.988 -9.116) 12.546 5.650 ( 2.843 -2.782 13.708) 14.273 5.955 ( -2.922 1.721 -1.101) 3.566 6.340 ( -5.741 -1.607 6.582) 8.880 6.529 ( -0.939 0.195 2.162) 2.365 7.173 ( 0.752 -6.014 -2.352) 6.501 8.095 ( 2.094 2.012 -7.845) 8.365 10.419 ( -5.597 6.152 1.966) 8.547 11.604 ( 2.115 -1.945 -9.536) 9.959 12.137 ( 5.406 1.333 1.821) 5.858 12.342 ( 0.667 1.294 9.416) 9.528 12.714 ( -3.647 2.657 4.876) 6.644 12.844 ( 6.506 -3.308 1.621) 7.477 13.398 ( -5.731 5.701 -0.678) 8.112 14.045 ( -2.136 2.218 -2.634) 4.052 14.451 ( -0.061 -0.910 2.532) 2.691 14.599 ( 1.356 -2.008 -4.095) 4.758 15.021 ( -1.852 -5.885 -3.470) 7.078 15.452 ( -2.408 -0.500 -6.130) 6.605 ======================= Grid point 37 (34/123) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -1.599 -2.070 -0.000) 2.616 1.005 ( -2.101 1.348 0.000) 2.496 1.273 ( 2.764 1.103 0.000) 2.976 1.312 ( -6.271 -0.970 -0.000) 6.345 1.795 ( 3.329 1.681 0.000) 3.729 1.829 ( -1.368 0.041 -0.000) 1.368 1.891 ( 0.907 -0.340 0.000) 0.969 2.156 ( -5.223 -5.721 -0.000) 7.747 2.236 ( 2.324 0.982 0.000) 2.523 2.352 ( -0.344 0.130 -0.000) 0.368 2.447 ( 5.200 9.563 0.000) 10.886 2.822 ( -1.154 -3.332 -0.000) 3.526 3.135 ( -0.271 -0.061 -0.000) 0.278 3.163 ( 1.368 -1.391 -0.000) 1.951 3.261 ( -0.005 0.179 0.000) 0.179 3.631 ( 0.593 -0.920 -0.000) 1.094 3.819 ( 0.456 3.055 0.000) 3.089 4.701 ( -1.780 -6.497 -0.000) 6.737 5.567 ( 2.556 -0.407 0.000) 2.588 5.943 ( -1.257 0.680 0.000) 1.430 6.199 ( 3.731 6.378 0.000) 7.389 6.493 ( -0.244 -0.186 -0.000) 0.307 7.229 ( 1.551 -4.631 -0.000) 4.883 8.187 ( -1.047 1.317 0.000) 1.682 10.321 ( -1.725 3.103 0.000) 3.550 11.674 ( -5.817 -15.359 -0.000) 16.424 12.249 ( -0.328 1.280 0.000) 1.322 12.268 ( 7.055 15.479 0.000) 17.011 12.559 ( -2.200 -1.546 -0.000) 2.689 12.921 ( 1.030 1.918 0.000) 2.177 13.339 ( -1.526 0.340 -0.000) 1.564 14.009 ( -3.792 -5.927 -0.000) 7.037 14.434 ( 0.958 1.330 0.000) 1.640 14.672 ( 0.820 -1.038 -0.000) 1.323 15.075 ( 4.115 1.212 0.000) 4.290 15.479 ( -0.973 -0.451 -0.000) 1.072 ======================= Grid point 38 (35/123) ======================= q-point: (-0.07 -0.05 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -5.885 -2.269 -2.908) 6.946 1.024 ( -3.815 -4.000 -14.158) 15.199 1.203 ( -7.344 -9.881 -3.741) 12.868 1.431 ( 2.440 4.682 -8.125) 9.690 1.752 ( -6.896 -1.809 0.998) 7.199 1.877 ( 1.526 1.354 -0.019) 2.040 1.912 ( 2.440 2.283 -1.284) 3.580 2.028 ( 0.444 -2.644 1.104) 2.900 2.250 ( 1.614 3.569 0.265) 3.926 2.382 ( 3.325 2.004 0.744) 3.953 2.637 ( 1.543 1.474 -5.499) 5.898 2.816 ( 1.013 -1.610 -0.030) 1.903 3.115 ( -1.229 1.292 4.060) 4.434 3.195 ( 1.309 -0.143 -2.478) 2.806 3.215 ( 1.163 -0.087 3.992) 4.159 3.550 ( 0.220 0.688 7.623) 7.657 3.766 ( 1.513 4.599 6.695) 8.262 4.502 ( -8.491 -4.869 6.650) 11.833 5.688 ( -0.375 1.559 -8.747) 8.893 5.943 ( 1.676 0.018 -1.274) 2.105 6.441 ( 7.995 7.342 -4.324) 11.684 6.532 ( 3.102 1.499 -3.193) 4.697 7.223 ( 1.748 -1.069 3.648) 4.184 8.069 ( -3.432 -0.478 6.255) 7.151 10.351 ( 2.464 -0.705 -2.222) 3.392 11.437 ( -8.562 -14.602 6.311) 18.065 12.245 ( -2.181 4.109 -2.262) 5.173 12.400 ( 2.230 10.751 -3.902) 11.652 12.652 ( 1.981 -3.342 -6.027) 7.171 12.907 ( -4.975 3.880 -3.193) 7.071 13.305 ( 2.904 -4.231 3.997) 6.504 13.913 ( -4.040 -10.337 0.663) 11.119 14.495 ( 2.174 3.794 -2.235) 4.911 14.637 ( 0.368 1.713 3.315) 3.749 15.164 ( 7.719 7.431 4.886) 11.776 15.425 ( 1.242 -3.006 4.850) 5.840 ======================= Grid point 39 (36/123) ======================= q-point: (-0.20 -0.05 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -5.305 -4.187 -6.158) 9.143 1.136 ( -6.794 -12.385 -5.360) 15.109 1.202 ( -9.090 -6.932 -9.283) 14.726 1.632 ( -2.308 2.516 -7.582) 8.315 1.710 ( 0.634 3.035 -8.488) 9.037 1.902 ( -1.703 1.731 -4.290) 4.930 2.036 ( 5.018 0.344 -2.562) 5.645 2.097 ( 1.978 -2.537 -4.672) 5.672 2.328 ( 2.798 1.332 -3.840) 4.934 2.435 ( 3.958 5.641 2.292) 7.262 2.695 ( -1.790 -6.580 -1.094) 6.906 2.840 ( -1.180 1.263 -0.749) 1.884 2.980 ( 0.384 1.952 6.727) 7.015 3.077 ( 1.373 2.451 8.715) 9.157 3.286 ( 1.924 -0.656 3.870) 4.372 3.388 ( 1.731 -0.424 5.918) 6.180 3.633 ( 2.065 7.696 7.946) 11.254 4.128 ( -9.584 0.038 10.155) 13.963 5.904 ( 0.536 -0.356 -10.508) 10.527 6.084 ( 0.765 -0.581 -10.106) 10.151 6.516 ( -0.010 -0.801 0.594) 0.997 6.794 ( 7.557 8.606 -4.554) 12.325 7.170 ( 2.840 0.560 5.258) 6.002 7.799 ( -4.371 0.765 11.251) 12.094 10.513 ( 5.330 -3.741 -5.152) 8.304 11.145 ( -5.232 -10.333 5.912) 13.004 12.267 ( -1.188 5.326 -2.950) 6.203 12.503 ( -2.283 1.109 -4.461) 5.132 12.771 ( -3.948 6.005 -4.758) 8.619 12.873 ( -2.786 -1.213 -2.819) 4.145 13.399 ( 7.519 -10.714 -5.087) 14.043 13.849 ( -1.356 -11.215 -0.586) 11.312 14.488 ( 0.845 2.073 5.547) 5.982 14.681 ( 2.772 9.092 -3.804) 10.238 15.124 ( 1.358 7.065 7.459) 10.363 15.333 ( 6.372 -0.776 12.481) 14.034 ======================= Grid point 40 (37/123) ======================= q-point: (-0.32 -0.05 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -3.853 -10.028 -6.600) 12.608 1.104 ( -3.829 -3.198 -4.683) 6.842 1.235 ( -4.529 -5.406 -8.716) 11.212 1.613 ( -3.083 2.328 3.665) 5.325 1.896 ( 0.534 1.098 -6.260) 6.377 2.090 ( -0.495 2.553 -13.151) 13.406 2.220 ( 5.273 -0.066 -4.014) 6.627 2.336 ( 2.652 -3.501 -12.067) 12.842 2.403 ( -0.113 5.206 4.346) 6.782 2.503 ( 3.598 -1.222 -5.033) 6.306 2.620 ( -2.447 -2.421 3.691) 5.047 2.807 ( -1.609 -5.357 -0.424) 5.610 2.856 ( 1.891 0.895 6.449) 6.780 2.939 ( 0.357 3.897 6.740) 7.793 3.134 ( 1.347 2.061 9.138) 9.463 3.325 ( 3.914 2.278 9.345) 10.385 3.563 ( -0.372 3.885 1.034) 4.037 3.728 ( -7.640 1.340 8.836) 11.757 6.137 ( 1.530 1.911 -9.823) 10.123 6.380 ( -0.381 -5.193 -15.800) 16.636 6.447 ( -0.362 -2.387 4.839) 5.407 6.962 ( 1.505 7.405 -1.655) 7.735 7.137 ( 3.671 -1.170 4.034) 5.578 7.443 ( -3.037 3.992 14.067) 14.934 10.757 ( 4.379 -4.363 -7.315) 9.578 11.008 ( 0.330 -4.741 2.780) 5.505 12.299 ( -0.823 2.258 -1.272) 2.719 12.428 ( -5.404 1.839 2.877) 6.393 12.789 ( -3.344 2.982 -7.248) 8.521 12.923 ( 0.114 0.201 -2.471) 2.481 13.745 ( 7.980 -11.363 -7.266) 15.671 13.901 ( 0.513 -7.919 -6.035) 9.970 14.410 ( 0.505 0.175 1.300) 1.406 14.801 ( 1.634 9.067 -2.552) 9.560 14.963 ( -0.907 2.438 6.996) 7.464 15.113 ( 3.369 4.229 17.835) 18.636 ======================= Grid point 41 (38/123) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( -0.000 0.000 -8.032) 8.032 0.336 ( -0.000 0.000 -16.145) 16.145 0.449 ( -0.000 0.000 -9.242) 9.242 0.874 ( -0.000 0.000 -39.745) 39.745 1.568 ( -0.000 0.000 -2.094) 2.094 1.736 ( -0.000 0.000 -5.864) 5.864 1.980 ( 0.000 -0.000 0.158) 0.158 2.262 ( 0.000 -0.000 1.318) 1.318 2.312 ( -0.000 0.000 -2.490) 2.490 2.550 ( -0.000 0.000 -0.297) 0.297 2.668 ( 0.000 -0.000 1.231) 1.231 2.972 ( 0.000 -0.000 4.148) 4.148 3.214 ( 0.000 -0.000 3.392) 3.392 3.257 ( -0.000 0.000 -4.587) 4.587 3.273 ( 0.000 -0.000 4.325) 4.325 3.620 ( 0.000 -0.000 6.874) 6.874 3.996 ( 0.000 -0.000 5.759) 5.759 4.114 ( 0.000 -0.000 9.001) 9.001 5.827 ( -0.000 0.000 -7.939) 7.939 5.974 ( -0.000 0.000 -1.687) 1.687 6.462 ( -0.000 0.000 -0.415) 0.415 7.214 ( 0.000 -0.000 2.682) 2.682 7.488 ( 0.000 -0.000 5.292) 5.292 7.628 ( -0.000 0.000 -1.529) 1.529 10.399 ( -0.000 0.000 -3.173) 3.173 10.825 ( -0.000 0.000 -1.412) 1.412 12.006 ( -0.000 0.000 -4.613) 4.613 12.610 ( 0.000 -0.000 1.479) 1.479 12.850 ( -0.000 0.000 -4.248) 4.248 12.947 ( 0.000 -0.000 1.377) 1.377 12.950 ( -0.000 0.000 -6.843) 6.843 13.324 ( -0.000 0.000 -2.187) 2.187 14.705 ( 0.000 -0.000 3.294) 3.294 15.279 ( 0.000 -0.000 3.524) 3.524 15.314 ( 0.000 -0.000 4.865) 4.865 15.621 ( 0.000 -0.000 4.471) 4.471 ======================= Grid point 42 (39/123) ======================= q-point: (-0.19 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 12.426 -0.000 -3.894) 13.022 0.751 ( 6.264 -0.000 -14.991) 16.247 0.808 ( 8.316 -0.000 -12.759) 15.230 1.625 ( 2.510 0.000 -8.367) 8.736 1.715 ( 4.599 0.000 -23.827) 24.267 1.875 ( -2.841 0.000 -7.825) 8.325 1.977 ( 0.064 0.000 -1.714) 1.715 2.202 ( -2.439 0.000 2.166) 3.262 2.390 ( -0.432 0.000 -4.977) 4.996 2.550 ( -1.418 0.000 -1.320) 1.937 2.603 ( -1.370 0.000 2.916) 3.222 2.861 ( 2.056 -0.000 8.758) 8.996 3.080 ( -2.346 0.000 7.188) 7.561 3.151 ( -0.514 -0.000 5.978) 6.000 3.331 ( -4.525 0.000 -3.604) 5.785 3.421 ( -1.487 -0.000 10.268) 10.375 3.888 ( 5.124 -0.000 6.368) 8.173 3.892 ( 2.112 -0.000 12.499) 12.676 6.015 ( -3.226 0.000 -5.633) 6.491 6.045 ( 0.799 0.000 -10.668) 10.698 6.473 ( 1.652 -0.000 1.643) 2.330 7.128 ( -2.882 0.000 1.991) 3.503 7.249 ( -6.467 0.000 6.550) 9.205 7.706 ( 5.469 -0.000 5.171) 7.527 10.493 ( -0.807 0.000 -6.539) 6.589 10.857 ( -0.353 0.000 -1.602) 1.641 12.147 ( 2.357 -0.000 -5.278) 5.780 12.614 ( 4.716 -0.000 5.157) 6.988 12.942 ( 1.675 -0.000 0.551) 1.763 13.003 ( 2.149 0.000 -8.338) 8.611 13.107 ( -5.004 0.000 -10.731) 11.840 13.410 ( 1.826 -0.000 -3.240) 3.719 14.591 ( -1.559 -0.000 5.927) 6.129 15.142 ( -3.046 0.000 5.431) 6.227 15.165 ( -0.775 -0.000 6.040) 6.089 15.410 ( -5.945 0.000 7.671) 9.705 ======================= Grid point 43 (40/123) ======================= q-point: (-0.31 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 9.480 -0.000 -5.770) 11.098 1.186 ( 6.288 -0.000 -12.711) 14.181 1.240 ( 9.611 -0.000 -9.732) 13.678 1.765 ( 5.152 -0.000 -1.629) 5.403 1.857 ( -3.258 0.000 0.108) 3.260 2.038 ( -4.767 0.000 4.097) 6.286 2.156 ( -0.839 0.000 -10.885) 10.917 2.237 ( -0.814 0.000 -15.849) 15.870 2.460 ( -3.493 0.000 -4.353) 5.581 2.526 ( -1.581 0.000 1.764) 2.369 2.588 ( -0.545 0.000 -5.081) 5.110 2.711 ( 3.717 -0.000 9.180) 9.904 2.819 ( -2.750 -0.000 11.901) 12.215 3.019 ( -1.691 0.000 4.204) 4.532 3.143 ( -2.812 -0.000 10.823) 11.182 3.146 ( -8.752 0.000 5.494) 10.334 3.736 ( 5.662 -0.000 8.713) 10.391 3.968 ( 7.460 -0.000 2.532) 7.878 6.094 ( -3.789 0.000 -9.271) 10.016 6.271 ( -0.276 0.000 -9.507) 9.511 6.482 ( 2.244 -0.000 -0.465) 2.292 6.976 ( -4.561 0.000 8.549) 9.690 7.088 ( -2.490 0.000 -4.071) 4.772 7.566 ( 1.305 -0.000 14.793) 14.851 10.641 ( -1.213 0.000 -9.203) 9.282 10.859 ( -1.097 0.000 0.325) 1.144 12.285 ( 4.482 -0.000 -0.727) 4.540 12.584 ( 3.675 -0.000 5.212) 6.377 12.993 ( -0.106 0.000 -3.637) 3.639 13.189 ( -9.335 0.000 -9.953) 13.646 13.278 ( 6.396 -0.000 -8.021) 10.259 13.523 ( 0.505 0.000 -5.766) 5.788 14.410 ( -3.327 0.000 5.089) 6.080 14.987 ( -0.321 -0.000 5.501) 5.511 15.019 ( -0.288 -0.000 5.970) 5.977 15.054 ( -9.105 0.000 11.155) 14.399 ======================= Grid point 44 (41/123) ======================= q-point: (-0.44 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 7.059 -0.000 -4.958) 8.626 1.418 ( -3.315 0.000 -1.843) 3.793 1.575 ( 6.469 -0.000 -5.134) 8.258 1.800 ( -2.208 0.000 -0.390) 2.242 1.935 ( 3.095 -0.000 -1.346) 3.375 1.936 ( 8.495 -0.000 -1.996) 8.726 2.245 ( -4.548 0.000 5.284) 6.971 2.308 ( -8.384 0.000 4.729) 9.626 2.385 ( -1.485 0.000 -4.372) 4.617 2.391 ( -4.246 0.000 5.847) 7.225 2.577 ( 4.428 -0.000 10.603) 11.491 2.720 ( -0.668 0.000 -8.759) 8.785 2.782 ( 2.036 0.000 -8.319) 8.565 2.892 ( -3.396 0.000 3.689) 5.014 2.901 ( -3.890 0.000 1.976) 4.363 2.925 ( -2.442 0.000 1.892) 3.089 3.789 ( 8.218 -0.000 -0.226) 8.221 3.968 ( 0.503 -0.000 4.435) 4.464 6.208 ( 3.015 -0.000 -0.195) 3.021 6.406 ( -3.864 0.000 -5.917) 7.067 6.654 ( -0.366 0.000 -13.129) 13.134 6.675 ( -2.961 -0.000 12.923) 13.258 7.203 ( 0.529 -0.000 18.148) 18.156 7.205 ( 0.658 0.000 -9.646) 9.669 10.794 ( -2.038 0.000 2.709) 3.390 10.806 ( -2.115 0.000 -9.006) 9.251 12.380 ( 6.566 -0.000 1.578) 6.752 12.565 ( 1.205 -0.000 1.278) 1.756 13.048 ( -1.926 0.000 -1.717) 2.581 13.110 ( -7.603 0.000 0.360) 7.611 13.511 ( 6.594 -0.000 0.599) 6.622 13.684 ( -2.208 0.000 -9.993) 10.234 14.353 ( 0.107 0.000 -5.665) 5.666 14.590 ( -9.439 0.000 12.632) 15.769 14.923 ( 0.789 -0.000 1.039) 1.304 14.932 ( 0.805 -0.000 2.068) 2.219 ======================= Grid point 45 (42/123) ======================= q-point: ( 0.44 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -8.382 0.000 3.794) 9.201 1.313 ( 1.705 -0.000 2.657) 3.157 1.715 ( -10.657 0.000 1.530) 10.767 1.729 ( 2.582 -0.000 -1.448) 2.960 1.931 ( -0.410 -0.000 11.605) 11.612 2.003 ( -0.114 -0.000 7.361) 7.361 2.101 ( 5.067 -0.000 1.033) 5.171 2.125 ( -3.582 0.000 5.327) 6.420 2.227 ( 10.391 -0.000 -0.269) 10.394 2.403 ( -3.228 0.000 1.118) 3.416 2.491 ( 4.804 -0.000 6.491) 8.076 2.832 ( -2.057 0.000 -3.151) 3.763 2.839 ( -2.145 0.000 -5.354) 5.768 2.933 ( 2.042 -0.000 -5.523) 5.888 2.947 ( 0.282 0.000 -6.700) 6.706 3.051 ( 1.442 0.000 -12.485) 12.568 3.902 ( -1.729 0.000 -1.301) 2.164 4.028 ( 5.458 -0.000 -6.037) 8.138 6.140 ( -6.794 0.000 15.154) 16.607 6.204 ( 2.755 -0.000 6.013) 6.614 6.526 ( -0.399 0.000 -0.213) 0.452 6.883 ( -0.325 0.000 -8.028) 8.034 6.935 ( 4.494 -0.000 11.836) 12.661 7.540 ( 2.639 0.000 -16.656) 16.864 10.663 ( -2.802 0.000 4.740) 5.506 10.917 ( -3.386 0.000 -6.785) 7.583 12.519 ( 6.608 -0.000 -2.081) 6.927 12.545 ( -5.570 0.000 -1.442) 5.754 12.940 ( -0.014 -0.000 5.222) 5.222 12.942 ( 1.010 -0.000 9.706) 9.758 13.558 ( 0.102 -0.000 -0.092) 0.137 13.683 ( -11.145 0.000 1.961) 11.316 14.314 ( -0.329 0.000 -1.134) 1.181 14.612 ( 8.382 -0.000 -6.473) 10.590 14.972 ( 1.995 -0.000 -2.608) 3.283 14.992 ( 0.971 0.000 -6.451) 6.523 ======================= Grid point 46 (43/123) ======================= q-point: ( 0.31 -0.06 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -9.496 0.000 2.153) 9.737 1.099 ( -8.031 0.000 8.892) 11.982 1.286 ( -10.454 0.000 13.797) 17.310 1.726 ( 3.811 -0.000 7.649) 8.546 1.771 ( -3.701 0.000 4.100) 5.523 1.926 ( 2.531 -0.000 2.541) 3.586 2.004 ( -5.714 0.000 8.379) 10.142 2.077 ( 1.677 -0.000 -2.618) 3.109 2.332 ( 1.071 -0.000 1.590) 1.917 2.434 ( 7.392 -0.000 -0.127) 7.393 2.466 ( 1.958 -0.000 3.070) 3.641 2.923 ( 0.379 0.000 -5.855) 5.868 2.948 ( 3.441 -0.000 -4.145) 5.387 3.105 ( 1.135 0.000 -6.862) 6.955 3.134 ( 3.019 -0.000 -4.917) 5.770 3.346 ( 1.796 0.000 -11.608) 11.746 3.973 ( -0.788 0.000 -7.213) 7.256 4.132 ( -4.070 0.000 -1.701) 4.411 5.834 ( 3.146 -0.000 7.781) 8.393 6.080 ( -0.432 -0.000 7.597) 7.609 6.520 ( -0.689 0.000 0.152) 0.706 6.881 ( 7.929 -0.000 4.856) 9.298 7.017 ( 3.436 -0.000 -2.634) 4.330 7.878 ( -1.741 0.000 -12.179) 12.302 10.502 ( -2.307 0.000 4.706) 5.241 10.951 ( -4.504 0.000 -4.115) 6.100 12.361 ( -8.238 0.000 3.453) 8.932 12.677 ( 1.772 -0.000 2.065) 2.721 12.818 ( 7.551 -0.000 2.543) 7.968 12.939 ( 2.741 -0.000 -0.364) 2.765 13.289 ( -11.858 0.000 7.814) 14.201 13.540 ( -3.370 0.000 -1.667) 3.760 14.483 ( 3.221 -0.000 -7.125) 7.819 14.843 ( 9.766 -0.000 3.156) 10.263 15.095 ( 2.636 -0.000 -3.981) 4.775 15.231 ( 2.198 0.000 -11.236) 11.449 ======================= Grid point 47 (44/123) ======================= q-point: ( 0.19 -0.06 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -12.298 0.000 7.479) 14.393 0.736 ( -10.905 0.000 1.349) 10.988 0.756 ( -8.685 0.000 17.202) 19.270 1.444 ( -20.133 0.000 9.912) 22.440 1.648 ( 4.086 -0.000 6.150) 7.383 1.677 ( -5.533 0.000 3.586) 6.593 1.958 ( 1.277 -0.000 -0.480) 1.364 2.179 ( 3.292 -0.000 -1.256) 3.523 2.317 ( -0.215 -0.000 1.490) 1.506 2.482 ( 3.477 -0.000 0.597) 3.528 2.560 ( 5.039 -0.000 -0.235) 5.045 3.040 ( -0.685 0.000 -4.916) 4.963 3.119 ( 4.672 -0.000 -2.852) 5.474 3.203 ( 1.718 -0.000 2.483) 3.019 3.249 ( 0.986 0.000 -4.262) 4.374 3.586 ( 1.489 0.000 -7.213) 7.365 4.069 ( -3.475 0.000 -2.539) 4.304 4.129 ( -0.029 0.000 -7.139) 7.139 5.849 ( 5.305 -0.000 2.381) 5.815 5.891 ( -2.643 0.000 6.325) 6.855 6.486 ( -0.338 -0.000 1.767) 1.799 7.073 ( 10.514 -0.000 -3.822) 11.187 7.162 ( 7.567 -0.000 -0.567) 7.588 7.951 ( -7.494 0.000 -4.308) 8.645 10.393 ( -0.690 -0.000 2.596) 2.686 10.911 ( -4.892 0.000 -1.771) 5.203 12.128 ( -6.018 0.000 3.731) 7.080 12.595 ( 4.251 -0.000 7.104) 8.279 12.946 ( -5.255 0.000 3.760) 6.461 13.005 ( -1.815 0.000 -0.754) 1.965 13.072 ( 3.295 0.000 -11.167) 11.643 13.517 ( -5.795 0.000 -6.790) 8.926 14.661 ( 2.108 -0.000 -3.905) 4.437 14.874 ( 9.896 -0.000 14.098) 17.224 15.227 ( 2.518 -0.000 -2.961) 3.887 15.470 ( 2.234 -0.000 -5.952) 6.358 ======================= Grid point 48 (45/123) ======================= q-point: ( 0.06 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.248 ( -11.698 0.000 -0.000) 11.698 0.318 ( -15.180 0.000 -0.000) 15.180 0.512 ( -9.239 0.000 -0.000) 9.239 0.716 ( -32.756 0.000 -0.000) 32.756 1.566 ( -2.520 0.000 -0.000) 2.520 1.649 ( 2.246 -0.000 0.000) 2.246 1.978 ( 0.331 -0.000 0.000) 0.331 2.253 ( 2.237 -0.000 0.000) 2.237 2.288 ( -0.442 0.000 -0.000) 0.442 2.544 ( 2.285 -0.000 0.000) 2.285 2.649 ( 2.928 -0.000 0.000) 2.928 3.086 ( -0.858 0.000 -0.000) 0.858 3.189 ( 1.143 -0.000 0.000) 1.143 3.226 ( 2.390 -0.000 0.000) 2.390 3.313 ( 0.674 -0.000 0.000) 0.674 3.689 ( 0.809 -0.000 0.000) 0.809 4.070 ( -0.800 0.000 -0.000) 0.800 4.216 ( -0.019 0.000 -0.000) 0.019 5.760 ( -2.165 0.000 -0.000) 2.165 5.901 ( 2.674 -0.000 0.000) 2.674 6.456 ( -0.138 0.000 -0.000) 0.138 7.354 ( 10.083 -0.000 0.000) 10.083 7.365 ( 8.367 -0.000 0.000) 8.367 7.799 ( -10.248 0.000 -0.000) 10.248 10.362 ( 0.240 -0.000 0.000) 0.240 10.844 ( -3.213 0.000 -0.000) 3.213 11.987 ( -3.205 0.000 -0.000) 3.205 12.590 ( 2.969 -0.000 0.000) 2.969 12.821 ( -1.917 0.000 -0.000) 1.917 12.986 ( -1.846 0.000 -0.000) 1.846 13.278 ( 2.197 -0.000 0.000) 2.197 13.743 ( 1.218 -0.000 0.000) 1.218 14.612 ( 0.383 -0.000 0.000) 0.383 14.731 ( 0.909 -0.000 0.000) 0.909 15.302 ( 1.386 -0.000 0.000) 1.386 15.560 ( 0.855 -0.000 0.000) 0.855 ======================= Grid point 49 (46/123) ======================= q-point: ( 0.33 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 13.887 7.178) 15.633 0.915 ( 0.000 10.157 7.722) 12.759 1.020 ( 0.000 11.167 6.799) 13.074 1.551 ( 0.000 -1.963 6.882) 7.157 1.777 ( 0.000 -5.854 13.546) 14.757 1.811 ( 0.000 1.679 5.170) 5.435 2.084 ( 0.000 7.775 8.130) 11.250 2.196 ( 0.000 -3.566 2.628) 4.430 2.479 ( 0.000 6.543 3.089) 7.235 2.524 ( -0.000 -6.229 -4.691) 7.798 2.591 ( 0.000 0.944 1.663) 1.913 2.785 ( -0.000 -1.472 -1.233) 1.920 3.013 ( -0.000 -3.500 -5.181) 6.252 3.111 ( -0.000 -1.608 -8.337) 8.491 3.348 ( -0.000 -4.053 -9.371) 10.210 3.429 ( 0.000 0.274 3.481) 3.492 3.771 ( -0.000 -4.235 -14.104) 14.726 3.793 ( -0.000 -0.904 -7.702) 7.755 5.913 ( 0.000 -3.173 13.269) 13.644 6.113 ( 0.000 1.519 7.455) 7.608 6.509 ( -0.000 2.265 -0.836) 2.414 6.954 ( 0.000 -8.622 1.263) 8.714 7.276 ( -0.000 -3.707 -4.503) 5.833 7.653 ( -0.000 0.446 -10.237) 10.247 10.686 ( 0.000 8.741 4.553) 9.855 11.017 ( -0.000 7.300 0.205) 7.303 12.304 ( 0.000 3.951 3.034) 4.982 12.351 ( 0.000 -11.100 0.560) 11.115 12.606 ( 0.000 -7.420 5.079) 8.991 12.870 ( 0.000 4.840 2.907) 5.646 13.586 ( 0.000 10.648 13.186) 16.949 13.829 ( -0.000 15.831 0.235) 15.832 14.508 ( -0.000 -4.223 -5.360) 6.824 14.756 ( 0.000 -11.782 4.406) 12.579 15.078 ( -0.000 -4.421 -5.779) 7.276 15.570 ( -0.000 -3.314 -19.863) 20.138 ======================= Grid point 50 (47/123) ======================= q-point: ( 0.20 -0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 4.808 11.156 4.659) 13.011 0.777 ( 5.785 8.992 12.500) 16.449 0.955 ( 3.913 15.003 3.228) 15.837 1.449 ( 4.711 7.288 2.797) 9.118 1.535 ( -0.508 -7.877 7.618) 10.970 1.695 ( 3.871 8.605 7.873) 12.289 2.013 ( -1.198 2.399 0.389) 2.710 2.175 ( -0.903 -4.356 -1.595) 4.726 2.333 ( -6.078 1.830 2.497) 6.821 2.571 ( -3.089 -4.020 -2.225) 5.537 2.612 ( 3.179 3.778 1.283) 5.102 2.812 ( 1.337 -7.603 0.017) 7.720 3.094 ( -0.917 -3.865 -3.656) 5.399 3.249 ( -0.817 -0.573 -4.878) 4.979 3.306 ( -2.109 1.478 4.403) 5.101 3.534 ( 0.782 -3.510 -6.451) 7.386 3.872 ( -3.577 -3.710 -6.489) 8.287 4.134 ( 7.242 -0.198 -7.790) 10.638 5.648 ( 0.812 -6.799 10.531) 12.561 6.018 ( -1.280 2.135 1.405) 2.859 6.502 ( 0.020 1.139 1.079) 1.569 6.888 ( -4.660 -11.523 0.730) 12.451 7.335 ( -3.525 -6.102 -4.250) 8.230 7.874 ( 4.340 4.554 -5.635) 8.446 10.554 ( -5.335 8.120 2.178) 9.957 11.079 ( 6.265 11.351 -0.892) 12.996 12.166 ( 0.186 3.146 5.976) 6.756 12.390 ( 3.115 -14.249 1.049) 14.623 12.619 ( 5.397 -9.639 0.146) 11.048 12.786 ( -1.506 5.788 3.998) 7.194 13.380 ( 0.084 9.340 3.767) 10.072 13.827 ( -0.177 17.307 -0.160) 17.308 14.586 ( -1.635 -6.149 0.430) 6.377 14.636 ( 0.200 -6.077 1.989) 6.397 15.206 ( 2.344 -7.110 -3.511) 8.268 15.832 ( -12.170 -1.701 -13.675) 18.385 ======================= Grid point 51 (48/123) ======================= q-point: ( 0.08 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 5.826 7.362 0.000) 9.388 0.774 ( 7.881 7.926 0.000) 11.178 1.030 ( 6.129 13.724 0.000) 15.031 1.397 ( -2.653 -8.740 -0.000) 9.133 1.665 ( 4.436 1.839 0.000) 4.802 1.688 ( 11.992 12.007 0.000) 16.970 1.968 ( -2.719 0.952 -0.000) 2.881 2.139 ( -7.289 -1.573 -0.000) 7.457 2.230 ( 1.605 -3.696 -0.000) 4.029 2.509 ( -5.197 -1.687 -0.000) 5.464 2.614 ( -0.991 -1.320 -0.000) 1.651 2.834 ( 0.167 -4.079 -0.000) 4.083 3.131 ( 0.419 -3.898 -0.000) 3.920 3.194 ( -2.359 1.381 0.000) 2.734 3.286 ( -0.944 -0.187 -0.000) 0.962 3.624 ( 0.764 -2.130 -0.000) 2.263 3.882 ( -2.534 -3.998 -0.000) 4.734 4.382 ( 8.877 3.777 0.000) 9.648 5.563 ( 1.872 -7.825 -0.000) 8.046 5.972 ( -1.899 3.077 0.000) 3.616 6.488 ( 0.001 1.063 0.000) 1.063 6.689 ( -13.226 -13.510 -0.000) 18.906 7.309 ( -2.772 -2.581 -0.000) 3.787 8.039 ( 5.268 3.346 0.000) 6.241 10.413 ( -5.371 4.710 0.000) 7.144 11.285 ( 10.729 15.026 0.000) 18.463 12.136 ( 3.144 2.736 0.000) 4.167 12.419 ( -0.031 -20.899 -0.000) 20.899 12.655 ( -4.354 6.232 0.000) 7.603 12.757 ( 6.408 -5.716 -0.000) 8.587 13.386 ( 0.102 3.169 0.000) 3.171 13.845 ( 2.256 14.982 0.000) 15.151 14.498 ( -1.774 -3.782 -0.000) 4.177 14.669 ( 0.790 -2.455 -0.000) 2.579 15.291 ( 1.013 -9.869 -0.000) 9.921 15.652 ( -14.832 4.041 -0.000) 15.372 ======================= Grid point 53 (49/123) ======================= q-point: (-0.17 -0.08 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.990 -1.660 -3.521) 4.016 1.427 ( 6.607 5.129 -10.757) 13.626 1.523 ( 3.144 1.205 -16.100) 16.448 1.576 ( -2.569 -3.711 -6.065) 7.561 1.777 ( -4.083 -2.731 -1.469) 5.127 1.852 ( 2.703 0.017 2.706) 3.825 1.908 ( -0.275 0.714 -1.956) 2.100 1.991 ( -3.216 -2.541 -5.253) 6.663 2.200 ( -0.996 -1.020 0.021) 1.426 2.369 ( -0.290 -0.146 -0.842) 0.903 2.743 ( 1.113 4.424 -2.989) 5.454 2.835 ( 0.127 1.633 -3.021) 3.437 2.986 ( -0.622 0.775 8.323) 8.382 3.029 ( -0.820 -1.869 10.624) 10.819 3.258 ( -0.338 5.766 -2.253) 6.199 3.332 ( 0.290 -0.090 10.185) 10.190 3.564 ( -1.139 -8.695 8.698) 12.351 4.373 ( -0.736 2.406 13.496) 13.729 5.921 ( 2.605 2.933 -6.910) 7.946 6.057 ( -1.187 -0.990 -17.080) 17.150 6.495 ( -1.833 -3.126 -8.013) 8.794 6.537 ( -0.680 -1.040 -0.779) 1.466 7.103 ( -0.455 1.891 4.895) 5.268 7.892 ( -0.340 0.156 13.705) 13.710 10.415 ( 1.416 -2.604 -4.892) 5.720 11.334 ( 2.567 5.789 13.393) 14.814 12.277 ( -2.212 -4.949 -3.569) 6.490 12.564 ( 0.637 -0.890 -9.494) 9.557 12.802 ( 1.468 0.419 -7.469) 7.624 13.017 ( -6.149 5.749 -3.277) 9.033 13.232 ( 7.432 -5.903 0.745) 9.520 13.922 ( 1.381 3.495 5.288) 6.487 14.472 ( 0.706 4.084 3.233) 5.256 14.574 ( -2.102 -4.504 -2.525) 5.575 14.908 ( -2.981 -2.114 7.586) 8.420 15.284 ( -0.050 1.381 8.391) 8.504 ======================= Grid point 54 (50/123) ======================= q-point: (-0.30 -0.08 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -1.889 -1.706 -5.172) 5.765 1.440 ( -3.151 -4.703 7.163) 9.130 1.651 ( -7.375 -3.141 -5.643) 9.803 1.730 ( -3.664 3.376 -0.429) 5.000 1.881 ( 1.611 -3.117 -8.942) 9.606 1.952 ( 2.521 -0.030 -10.372) 10.674 2.091 ( -1.288 1.191 -14.504) 14.609 2.134 ( 6.391 4.458 -3.578) 8.575 2.224 ( 2.934 0.268 -1.686) 3.395 2.397 ( 1.185 -0.955 -2.289) 2.749 2.716 ( 1.285 5.438 12.262) 13.475 2.766 ( 0.146 -1.195 10.281) 10.352 2.840 ( -0.209 -1.725 0.445) 1.794 2.901 ( 0.715 -0.024 -0.664) 0.976 3.090 ( -0.872 3.535 7.881) 8.681 3.262 ( 2.882 4.540 9.601) 11.004 3.500 ( -2.148 -7.180 -7.835) 10.842 3.994 ( -5.508 1.191 13.278) 14.424 6.089 ( 0.748 -1.132 -7.292) 7.417 6.455 ( 1.554 -0.890 5.960) 6.223 6.540 ( -0.283 -0.475 -23.873) 23.879 6.696 ( 1.241 1.664 -8.447) 8.698 7.006 ( 1.533 1.614 5.400) 5.841 7.507 ( -2.316 1.526 18.486) 18.693 10.607 ( 4.241 -3.300 -7.221) 9.001 11.064 ( 1.101 -0.460 13.755) 13.807 12.335 ( -3.567 1.568 -7.141) 8.135 12.645 ( -2.983 -0.400 2.874) 4.162 12.903 ( -4.718 2.906 -6.830) 8.795 13.029 ( -0.200 -2.489 -5.537) 6.074 13.502 ( 10.372 -7.140 -5.274) 13.651 13.774 ( 3.117 1.922 10.091) 10.735 14.447 ( 1.140 0.999 -1.162) 1.910 14.675 ( -1.020 -1.187 -7.831) 7.986 14.721 ( 2.959 3.972 9.954) 11.118 15.073 ( -1.182 1.206 9.585) 9.733 ======================= Grid point 55 (51/123) ======================= q-point: ( 0.58 -0.08 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -4.599 5.438 0.943) 7.184 1.243 ( -3.083 -6.504 3.586) 8.041 1.528 ( -6.793 3.415 6.471) 9.984 1.603 ( -6.851 -4.236 -5.426) 9.712 2.036 ( 0.307 4.235 4.995) 6.556 2.075 ( 2.685 0.844 -4.076) 4.953 2.275 ( 2.452 1.161 -4.290) 5.076 2.315 ( 4.200 -2.628 0.492) 4.979 2.457 ( 0.686 2.367 5.195) 5.750 2.494 ( 2.136 -0.007 -8.120) 8.396 2.573 ( 3.951 -0.414 3.590) 5.355 2.626 ( 4.815 -5.953 -0.767) 7.695 2.830 ( -0.281 3.030 0.150) 3.046 2.879 ( -1.080 -0.920 0.236) 1.438 3.014 ( 0.410 7.989 -0.333) 8.007 3.161 ( 1.693 -4.881 1.586) 5.404 3.598 ( -4.876 4.261 -3.850) 7.533 3.719 ( -3.769 -7.315 -0.193) 8.231 6.253 ( 0.919 3.493 -3.480) 5.016 6.332 ( 1.500 -4.573 4.685) 6.716 6.746 ( -1.413 7.037 11.155) 13.265 6.883 ( -0.236 -5.804 -9.055) 10.758 7.081 ( 1.265 4.738 -4.131) 6.412 7.177 ( 1.427 -4.010 -0.606) 4.299 10.853 ( 3.693 -0.067 10.238) 10.884 10.854 ( 3.875 -0.184 -6.693) 7.736 12.391 ( -4.804 5.071 -3.588) 7.853 12.465 ( -4.987 -2.222 1.158) 5.582 12.931 ( -1.988 0.457 -0.899) 2.229 13.020 ( -3.860 -8.254 2.603) 9.476 13.691 ( 8.823 10.075 5.879) 14.625 13.837 ( 8.327 -4.064 -2.452) 9.585 14.499 ( 1.300 7.911 7.892) 11.250 14.667 ( 3.789 -8.198 -8.761) 12.582 14.849 ( -0.540 1.502 -7.800) 7.961 14.886 ( -0.491 -1.934 4.556) 4.974 ======================= Grid point 57 (52/123) ======================= q-point: (-0.29 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -0.000 -9.781 -8.588) 13.016 1.032 ( -0.000 -1.024 -12.864) 12.904 1.096 ( -0.000 -3.934 -13.650) 14.206 1.623 ( 0.000 1.977 0.981) 2.207 1.932 ( -0.000 1.136 -0.309) 1.177 2.132 ( -0.000 2.091 -12.853) 13.022 2.244 ( -0.000 -3.089 -1.375) 3.381 2.286 ( -0.000 -3.244 -20.975) 21.224 2.460 ( 0.000 1.962 8.865) 9.080 2.523 ( -0.000 0.041 -6.558) 6.558 2.586 ( 0.000 0.529 5.205) 5.232 2.669 ( 0.000 -4.662 2.193) 5.152 2.917 ( 0.000 1.311 8.696) 8.795 3.016 ( 0.000 3.392 4.435) 5.584 3.213 ( 0.000 2.390 8.932) 9.246 3.468 ( 0.000 4.083 5.297) 6.688 3.581 ( 0.000 -0.370 5.121) 5.134 3.614 ( 0.000 -0.685 9.621) 9.645 6.218 ( -0.000 3.169 -11.612) 12.037 6.299 ( -0.000 -2.907 -13.055) 13.374 6.387 ( 0.000 -2.112 5.889) 6.256 7.092 ( -0.000 4.369 -0.157) 4.372 7.147 ( 0.000 -1.982 8.422) 8.652 7.475 ( 0.000 2.590 11.279) 11.573 10.718 ( -0.000 -3.333 -9.501) 10.069 10.952 ( -0.000 -2.189 -2.256) 3.144 12.238 ( 0.000 -4.184 0.657) 4.235 12.423 ( 0.000 1.643 5.508) 5.747 12.867 ( -0.000 7.660 -5.990) 9.724 13.026 ( -0.000 9.258 -7.470) 11.896 13.616 ( -0.000 -10.991 -4.010) 11.700 13.658 ( -0.000 -13.720 -15.316) 20.563 14.465 ( 0.000 2.637 4.110) 4.884 14.968 ( 0.000 5.259 3.669) 6.413 14.971 ( 0.000 0.934 8.467) 8.519 15.238 ( 0.000 3.391 14.956) 15.336 ======================= Grid point 58 (53/123) ======================= q-point: (-0.41 -0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 5.223 -5.210 -8.582) 11.317 1.290 ( 2.976 3.674 -7.646) 8.990 1.396 ( 2.334 -0.442 -11.338) 11.584 1.593 ( 3.498 6.245 4.918) 8.685 1.949 ( -0.900 -5.267 -2.478) 5.890 2.125 ( -5.041 -1.715 5.607) 7.733 2.259 ( 0.857 -0.604 10.572) 10.624 2.379 ( 0.863 -0.821 6.456) 6.565 2.421 ( 0.398 -1.442 -7.278) 7.430 2.583 ( -2.795 2.611 1.796) 4.226 2.652 ( -2.679 0.414 -6.275) 6.835 2.748 ( -1.972 -3.628 -3.633) 5.500 2.760 ( 1.484 -4.634 -6.765) 8.334 2.918 ( -3.695 8.262 3.950) 9.876 3.009 ( -3.041 0.989 4.154) 5.243 3.260 ( -2.568 1.304 2.288) 3.678 3.414 ( 4.697 -4.008 8.642) 10.621 3.716 ( 7.142 3.374 0.220) 7.902 6.223 ( -1.312 -1.864 5.652) 6.094 6.431 ( -0.162 2.546 -7.098) 7.542 6.639 ( 0.298 -1.317 -15.308) 15.368 6.947 ( -3.387 -4.775 4.895) 7.631 7.059 ( 1.726 5.272 10.285) 11.686 7.220 ( 0.179 -0.773 7.316) 7.359 10.915 ( -2.344 -0.369 -10.936) 11.190 10.951 ( -4.064 0.504 -1.245) 4.280 12.206 ( 3.332 -4.000 4.493) 6.876 12.353 ( 5.502 -0.851 5.830) 8.062 13.017 ( -0.915 7.639 -5.697) 9.573 13.149 ( 2.339 11.180 -1.956) 11.588 13.635 ( -5.921 -10.928 -3.779) 12.991 13.907 ( -3.322 -9.103 -9.413) 13.510 14.450 ( -2.095 0.019 -5.495) 5.881 14.814 ( -0.257 -1.311 6.705) 6.837 14.851 ( 0.797 2.026 9.655) 9.897 14.941 ( -2.472 5.060 5.253) 7.701 ======================= Grid point 59 (54/123) ======================= q-point: ( 0.46 -0.09 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 2.167 2.673 -3.595) 4.977 1.474 ( 3.150 3.839 -4.345) 6.598 1.575 ( 6.076 5.785 4.444) 9.493 1.639 ( 2.068 1.352 -4.557) 5.184 1.885 ( 0.899 -2.878 7.663) 8.235 1.924 ( 0.329 -4.477 11.231) 12.095 2.030 ( 1.150 -1.819 12.182) 12.371 2.227 ( -3.355 -0.539 2.562) 4.255 2.303 ( -4.601 0.075 7.117) 8.475 2.487 ( -6.070 1.405 4.289) 7.564 2.642 ( -4.400 -6.017 -8.575) 11.362 2.826 ( -0.903 3.442 -2.920) 4.603 2.867 ( 0.366 2.661 -5.933) 6.513 2.930 ( -1.526 0.421 1.677) 2.306 3.005 ( 0.675 -2.347 -10.399) 10.682 3.198 ( -4.303 -9.306 -3.117) 10.716 3.546 ( 9.600 6.578 -3.250) 12.082 3.857 ( 5.348 0.177 -3.836) 6.584 6.104 ( 0.701 0.233 4.919) 4.974 6.518 ( -1.206 -2.503 9.588) 9.983 6.551 ( -5.179 1.271 6.082) 8.089 6.718 ( 1.565 3.369 12.385) 12.930 7.003 ( -3.042 -3.154 -6.378) 7.738 7.390 ( 4.894 -2.366 -15.140) 16.086 10.816 ( -6.952 4.878 1.935) 8.710 11.104 ( -3.171 -0.712 -11.639) 12.084 12.199 ( 6.624 -0.944 5.288) 8.528 12.441 ( 9.486 -4.819 0.681) 10.661 12.939 ( -2.414 6.196 8.736) 10.978 13.172 ( -2.920 7.816 3.286) 8.968 13.583 ( -3.527 -9.820 -3.064) 10.874 13.965 ( -7.121 4.170 -7.796) 11.352 14.451 ( -2.702 -0.098 2.991) 4.032 14.651 ( -3.972 -5.956 3.046) 7.780 14.764 ( 1.026 5.579 -3.254) 6.539 14.987 ( 2.376 -3.857 -6.640) 8.038 ======================= Grid point 60 (55/123) ======================= q-point: ( 0.34 -0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -1.636 7.545 1.348) 7.837 1.461 ( -4.504 -5.255 10.114) 12.256 1.543 ( 1.094 0.663 12.871) 12.934 1.588 ( 1.169 0.100 9.768) 9.838 1.723 ( 4.741 1.421 3.231) 5.910 1.822 ( 2.686 -0.113 -0.670) 2.771 1.966 ( 5.837 6.196 0.558) 8.531 2.058 ( -7.717 1.223 1.951) 8.054 2.161 ( -0.867 -1.635 1.396) 2.319 2.373 ( 0.560 0.292 0.789) 1.011 2.668 ( -5.347 -7.454 -3.157) 9.701 2.823 ( -0.045 -0.198 4.545) 4.550 2.925 ( 1.495 -2.313 -4.130) 4.964 3.047 ( 0.686 2.024 -8.459) 8.725 3.157 ( -0.751 -4.331 -3.848) 5.842 3.302 ( 0.667 -2.368 -9.862) 10.165 3.750 ( 2.220 12.036 -4.976) 13.212 4.178 ( 7.386 -7.231 -10.905) 15.025 5.953 ( -5.592 -3.570 17.012) 18.260 6.047 ( 1.831 1.998 6.842) 7.360 6.528 ( 2.030 3.396 7.118) 8.144 6.563 ( -1.099 0.952 1.527) 2.109 7.027 ( -0.139 -4.696 -0.748) 4.758 7.845 ( 3.086 -0.546 -16.560) 16.854 10.615 ( -6.839 7.444 2.809) 10.492 11.258 ( -3.914 -7.855 -9.116) 12.654 12.296 ( 8.638 8.011 0.169) 11.782 12.612 ( 0.763 1.053 7.796) 7.904 12.713 ( 8.262 -5.351 2.612) 10.184 12.904 ( -8.492 0.223 7.456) 11.303 13.550 ( -5.203 5.223 0.772) 7.412 13.930 ( -8.511 -1.294 -3.828) 9.422 14.406 ( -0.148 -3.215 -3.079) 4.454 14.567 ( 1.746 -1.092 1.977) 2.855 14.900 ( 2.593 3.524 -4.835) 6.521 15.220 ( 0.826 -4.139 -10.201) 11.040 ======================= Grid point 61 (56/123) ======================= q-point: ( 0.21 -0.09 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -3.594 -1.776 17.231) 17.691 1.059 ( -4.961 4.180 0.907) 6.550 1.284 ( -11.409 -5.169 2.501) 12.772 1.409 ( 5.055 1.292 9.102) 10.492 1.837 ( 0.890 1.169 -0.197) 1.483 1.873 ( -0.089 0.276 0.399) 0.493 1.889 ( 3.210 2.204 2.247) 4.495 2.050 ( -2.941 2.850 -3.016) 5.086 2.249 ( 6.397 2.192 -1.032) 6.841 2.360 ( -0.758 0.356 0.441) 0.947 2.592 ( -4.013 -6.964 0.239) 8.041 2.784 ( 4.162 3.969 1.688) 5.994 3.059 ( 2.356 -4.028 -3.764) 5.995 3.168 ( 0.503 -0.459 0.436) 0.808 3.217 ( -0.072 0.451 -4.313) 4.337 3.523 ( 1.626 -1.122 -7.273) 7.536 3.887 ( 1.218 10.493 -4.408) 11.446 4.435 ( -1.281 -12.118 -5.058) 13.194 5.635 ( 3.182 -2.014 7.449) 8.347 5.977 ( -1.460 2.197 1.994) 3.307 6.457 ( 6.243 9.432 5.108) 12.411 6.518 ( 0.368 0.712 2.309) 2.444 7.068 ( 2.968 -8.468 -0.590) 8.993 8.133 ( -1.452 1.148 -8.271) 8.476 10.443 ( -4.591 6.583 1.794) 8.224 11.301 ( -6.062 -13.866 -4.371) 15.751 12.375 ( -1.866 3.965 6.446) 7.794 12.497 ( 2.549 5.985 -0.530) 6.527 12.641 ( 1.059 4.126 3.729) 5.661 12.939 ( 6.967 -2.540 -1.910) 7.657 13.356 ( -9.671 5.797 -0.171) 11.276 13.813 ( -6.294 -11.718 -0.701) 13.320 14.500 ( 3.380 2.896 0.084) 4.451 14.611 ( 2.670 -1.292 -0.893) 3.098 15.069 ( 5.906 1.580 -2.877) 6.757 15.404 ( -0.214 -1.136 -6.076) 6.185 ======================= Grid point 62 (57/123) ======================= q-point: ( 0.09 -0.09 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -6.652 -4.513 -0.000) 8.039 0.890 ( -9.860 -0.234 -0.000) 9.863 1.018 ( -11.138 -5.341 -0.000) 12.352 1.430 ( 5.642 3.679 0.000) 6.735 1.741 ( -4.846 -0.627 -0.000) 4.886 1.835 ( -12.809 -2.608 -0.000) 13.072 1.921 ( 2.428 0.633 0.000) 2.510 2.061 ( 4.684 4.388 0.000) 6.418 2.309 ( -1.068 1.856 0.000) 2.141 2.420 ( 6.330 1.229 0.000) 6.448 2.530 ( -1.014 -8.555 -0.000) 8.615 2.901 ( 6.381 8.509 0.000) 10.636 3.137 ( 1.088 -0.578 -0.000) 1.232 3.153 ( 0.762 -1.857 -0.000) 2.007 3.274 ( 0.688 0.293 0.000) 0.748 3.634 ( 1.250 -0.360 0.000) 1.301 3.964 ( 1.325 8.991 0.000) 9.089 4.398 ( -5.196 -10.966 -0.000) 12.134 5.668 ( 4.116 3.009 0.000) 5.099 5.909 ( -1.834 -1.088 -0.000) 2.133 6.476 ( -0.438 -0.600 -0.000) 0.743 6.643 ( 14.384 13.430 0.000) 19.679 7.162 ( 4.845 -8.425 -0.000) 9.719 8.140 ( -5.458 0.783 -0.000) 5.514 10.362 ( -1.328 3.472 0.000) 3.717 11.198 ( -7.829 -13.366 -0.000) 15.490 12.222 ( -6.179 1.672 -0.000) 6.402 12.472 ( 2.554 -4.950 -0.000) 5.570 12.755 ( 4.211 17.770 0.000) 18.263 12.967 ( -4.166 5.230 0.000) 6.686 13.294 ( 1.053 -5.832 -0.000) 5.926 13.723 ( -3.775 -7.237 -0.000) 8.162 14.527 ( 2.198 3.438 0.000) 4.081 14.674 ( 1.533 -1.062 -0.000) 1.865 15.259 ( 9.203 -4.520 0.000) 10.253 15.458 ( -0.698 3.025 0.000) 3.104 ======================= Grid point 65 (58/123) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( 0.000 13.658 0.000) 13.658 0.289 ( 0.000 14.334 0.000) 14.334 0.553 ( 0.000 16.039 0.000) 16.039 0.725 ( 0.000 35.983 0.000) 35.983 1.543 ( 0.000 0.456 0.000) 0.456 1.619 ( -0.000 -5.620 -0.000) 5.620 1.996 ( 0.000 1.220 0.000) 1.220 2.258 ( -0.000 -2.589 -0.000) 2.589 2.320 ( 0.000 3.030 0.000) 3.030 2.545 ( -0.000 -0.284 -0.000) 0.284 2.665 ( -0.000 -1.423 -0.000) 1.423 2.959 ( -0.000 -5.842 -0.000) 5.842 3.216 ( 0.000 1.441 0.000) 1.441 3.230 ( -0.000 -2.352 -0.000) 2.352 3.317 ( -0.000 -0.316 -0.000) 0.316 3.670 ( -0.000 -2.740 -0.000) 2.740 4.034 ( -0.000 -2.292 -0.000) 2.292 4.192 ( -0.000 -2.181 -0.000) 2.181 5.665 ( -0.000 -6.523 -0.000) 6.523 5.965 ( 0.000 2.879 0.000) 2.879 6.465 ( 0.000 0.983 0.000) 0.983 7.125 ( -0.000 -10.096 -0.000) 10.096 7.670 ( -0.000 -7.905 -0.000) 7.905 7.712 ( 0.000 8.628 0.000) 8.628 10.428 ( 0.000 6.306 0.000) 6.306 10.861 ( 0.000 5.288 0.000) 5.288 11.985 ( 0.000 3.133 0.000) 3.133 12.584 ( -0.000 -13.325 -0.000) 13.325 12.660 ( 0.000 3.873 0.000) 3.873 12.806 ( -0.000 -12.081 -0.000) 12.081 13.089 ( 0.000 12.107 0.000) 12.107 13.496 ( 0.000 15.742 0.000) 15.742 14.597 ( -0.000 -1.943 -0.000) 1.943 14.714 ( -0.000 -2.697 -0.000) 2.697 15.326 ( -0.000 -4.070 -0.000) 4.070 16.339 ( -0.000 -5.232 -0.000) 5.232 ======================= Grid point 67 (59/123) ======================= q-point: (-0.15 -0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 8.824 2.793 -4.885) 10.465 0.947 ( 8.192 5.404 -9.850) 13.905 1.088 ( 11.354 4.539 -9.922) 15.747 1.675 ( 3.414 -1.747 -7.373) 8.310 1.767 ( -2.067 -2.693 -7.186) 7.947 1.899 ( 4.336 2.583 -12.948) 13.897 1.978 ( -0.500 2.253 -4.053) 4.664 2.116 ( -4.852 -1.847 2.161) 5.623 2.359 ( -1.303 -1.352 -3.884) 4.315 2.519 ( -4.109 -2.707 1.288) 5.086 2.571 ( -0.787 5.308 -1.548) 5.585 2.879 ( 1.105 -2.307 4.754) 5.399 3.007 ( -2.049 -1.042 7.618) 7.957 3.117 ( -1.191 -1.516 6.666) 6.939 3.249 ( -4.459 2.209 2.408) 5.529 3.388 ( -1.661 0.132 9.699) 9.841 3.804 ( 0.412 -9.240 6.392) 11.243 4.094 ( 8.028 3.652 7.121) 11.336 5.914 ( -3.593 -0.987 -7.124) 8.039 6.071 ( 0.387 0.588 -9.478) 9.504 6.505 ( 0.766 0.304 0.795) 1.145 6.949 ( -7.399 -6.900 -2.455) 10.411 7.152 ( -4.423 2.103 5.371) 7.268 7.810 ( 4.406 -0.358 9.362) 10.353 10.477 ( -2.066 0.270 -5.764) 6.130 10.960 ( 3.843 7.904 2.538) 9.148 12.261 ( 4.052 3.188 -4.600) 6.910 12.621 ( 1.076 -7.205 3.055) 7.900 12.823 ( -2.114 -3.300 -6.935) 7.965 12.975 ( 7.795 -8.560 -3.717) 12.159 13.186 ( -6.066 11.186 -3.506) 13.199 13.614 ( 3.331 11.995 -2.129) 12.629 14.529 ( -2.276 -1.689 6.582) 7.167 14.873 ( -4.847 -10.491 -3.371) 12.038 15.218 ( 1.595 -0.448 8.274) 8.438 15.287 ( -9.705 2.031 9.877) 13.996 ======================= Grid point 68 (60/123) ======================= q-point: (-0.27 -0.10 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 6.377 2.150 -5.353) 8.599 1.290 ( 4.803 0.150 -6.045) 7.723 1.500 ( 11.484 2.757 -6.106) 13.295 1.789 ( -1.899 0.101 -0.486) 1.963 1.881 ( 4.199 0.222 -6.243) 7.527 1.962 ( -2.782 -1.316 1.160) 3.289 2.113 ( -2.049 -0.979 -11.558) 11.779 2.199 ( -2.802 -0.233 -7.721) 8.217 2.377 ( -6.247 -4.025 -0.847) 7.480 2.413 ( -2.580 0.439 -1.650) 3.094 2.591 ( -1.487 3.505 -2.864) 4.764 2.760 ( 0.832 -0.788 12.145) 12.199 2.844 ( 1.272 1.994 1.931) 3.053 2.953 ( -1.546 -1.789 5.284) 5.789 3.018 ( -1.625 3.401 9.942) 10.633 3.137 ( -3.485 3.015 8.152) 9.365 3.746 ( 2.135 -8.517 0.958) 8.833 4.066 ( 2.978 -0.895 8.929) 9.455 6.062 ( 0.186 0.340 -11.013) 11.020 6.296 ( -0.436 4.449 -9.356) 10.369 6.493 ( 0.992 -1.642 -0.436) 1.968 6.922 ( -3.691 -0.142 -0.360) 3.711 6.989 ( -2.653 -1.786 -1.650) 3.599 7.564 ( -0.214 -1.027 17.307) 17.339 10.597 ( -0.725 -2.307 -8.178) 8.528 10.924 ( 1.742 4.989 6.544) 8.411 12.416 ( 4.438 0.520 -1.598) 4.745 12.589 ( 0.403 -1.156 1.939) 2.293 12.928 ( 0.201 -1.098 -4.946) 5.070 13.133 ( -8.854 7.762 -6.060) 13.242 13.264 ( 9.018 -10.491 -6.499) 15.284 13.714 ( 1.050 8.693 -0.797) 8.792 14.351 ( -1.656 1.031 3.413) 3.931 14.783 ( -8.334 -3.782 3.193) 9.693 14.926 ( -2.873 -4.405 6.204) 8.133 15.057 ( 0.259 2.003 8.365) 8.605 ======================= Grid point 69 (61/123) ======================= q-point: ( 0.60 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -1.518 -0.725 -5.342) 5.600 1.301 ( 1.518 -0.725 5.342) 5.600 1.740 ( -3.914 3.063 -1.961) 5.343 1.740 ( 3.914 3.063 1.961) 5.343 2.051 ( 0.102 -2.573 -4.375) 5.076 2.051 ( -0.102 -2.573 4.375) 5.076 2.142 ( -2.264 1.231 -1.564) 3.014 2.142 ( 2.264 1.231 1.564) 3.014 2.382 ( -0.390 1.712 -7.689) 7.887 2.382 ( 0.390 1.712 7.689) 7.887 2.602 ( -2.766 -4.999 -4.276) 7.136 2.602 ( 2.766 -4.999 4.276) 7.136 2.854 ( -0.021 1.358 -2.654) 2.981 2.854 ( 0.021 1.358 2.654) 2.981 2.945 ( 2.617 5.789 -1.538) 6.536 2.945 ( -2.617 5.789 1.538) 6.536 3.869 ( 0.853 -5.215 -7.494) 9.170 3.869 ( -0.853 -5.215 7.494) 9.170 6.283 ( -1.429 -1.392 -7.104) 7.379 6.283 ( 1.429 -1.392 7.104) 7.379 6.713 ( 0.969 5.929 -12.571) 13.933 6.713 ( -0.969 5.929 12.571) 13.933 7.175 ( -0.575 -3.532 -16.042) 16.436 7.175 ( 0.575 -3.532 16.042) 16.436 10.773 ( -0.214 -0.411 -8.757) 8.769 10.773 ( 0.214 -0.411 8.757) 8.769 12.525 ( -3.027 1.035 -4.716) 5.698 12.525 ( 3.027 1.035 4.716) 5.698 13.048 ( -1.979 1.941 -1.811) 3.311 13.048 ( 1.979 1.941 1.811) 3.311 13.583 ( 1.778 -3.799 -8.373) 9.365 13.583 ( -1.778 -3.799 8.373) 9.365 14.452 ( 4.509 3.173 -8.713) 10.311 14.452 ( -4.509 3.173 8.713) 10.311 14.918 ( -0.757 -1.811 -4.982) 5.355 14.918 ( 0.757 -1.811 4.982) 5.355 ======================= Grid point 74 (62/123) ======================= q-point: ( 0.49 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -0.000 0.760 -3.273) 3.360 1.159 ( 0.000 14.342 4.140) 14.928 1.281 ( 0.000 4.134 5.402) 6.802 1.560 ( -0.000 0.551 -6.267) 6.291 1.867 ( 0.000 -1.618 11.481) 11.595 2.036 ( 0.000 -2.179 14.464) 14.627 2.239 ( 0.000 -3.482 7.467) 8.239 2.249 ( -0.000 -9.763 -3.286) 10.301 2.446 ( 0.000 3.448 7.810) 8.538 2.604 ( -0.000 2.073 -3.436) 4.013 2.701 ( 0.000 9.063 3.641) 9.767 2.855 ( -0.000 -1.240 -4.315) 4.489 2.858 ( -0.000 -0.585 -1.463) 1.576 2.904 ( -0.000 2.824 -1.607) 3.249 3.071 ( -0.000 -4.034 -8.296) 9.225 3.282 ( -0.000 -5.159 -13.869) 14.797 3.473 ( -0.000 -5.952 -0.489) 5.972 3.657 ( -0.000 1.703 -5.436) 5.696 6.110 ( 0.000 -1.476 8.197) 8.329 6.487 ( 0.000 6.275 20.565) 21.501 6.508 ( -0.000 2.879 -4.249) 5.133 6.841 ( 0.000 -6.349 1.214) 6.464 7.187 ( -0.000 -1.010 -0.229) 1.036 7.300 ( -0.000 -5.722 -16.182) 17.164 10.927 ( 0.000 6.313 2.727) 6.877 11.095 ( -0.000 4.513 -5.397) 7.035 12.191 ( 0.000 -8.544 3.194) 9.121 12.258 ( 0.000 -5.505 1.691) 5.759 12.832 ( 0.000 8.328 8.425) 11.847 12.998 ( -0.000 7.333 -2.557) 7.766 13.907 ( 0.000 -5.846 4.554) 7.411 14.069 ( -0.000 9.062 -2.118) 9.306 14.473 ( 0.000 6.587 7.163) 9.731 14.629 ( 0.000 -8.748 2.589) 9.123 14.916 ( -0.000 -1.725 -2.866) 3.345 15.037 ( -0.000 -6.845 -18.326) 19.563 ======================= Grid point 75 (63/123) ======================= q-point: ( 0.36 -0.11 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -0.555 12.137 5.096) 13.175 1.176 ( 5.719 8.008 7.339) 12.275 1.270 ( 4.640 10.230 2.249) 11.456 1.538 ( 2.278 -1.724 5.693) 6.370 1.657 ( -0.611 -4.125 16.289) 16.814 1.819 ( 1.165 -2.348 -2.685) 3.752 2.090 ( -2.673 -4.580 3.287) 6.239 2.214 ( -3.152 3.788 6.463) 8.128 2.357 ( -0.371 -5.758 -2.950) 6.480 2.461 ( -7.896 2.923 4.087) 9.359 2.738 ( 4.149 4.716 1.925) 6.570 2.790 ( 1.944 0.063 3.892) 4.351 2.941 ( -0.961 -2.830 -3.934) 4.941 3.068 ( -1.321 -1.461 -10.251) 10.438 3.262 ( -0.465 -3.865 -8.174) 9.053 3.394 ( -0.270 -3.613 0.649) 3.680 3.622 ( -3.515 -0.723 -12.934) 13.422 3.906 ( 8.365 -2.192 -10.007) 13.226 5.900 ( 1.233 1.432 15.311) 15.428 6.119 ( -1.140 0.178 9.639) 9.708 6.539 ( -0.345 0.435 0.644) 0.850 6.754 ( -3.727 -7.047 2.865) 8.472 7.162 ( -1.646 -5.026 -0.464) 5.309 7.697 ( 3.546 -0.437 -15.372) 15.781 10.782 ( -7.274 9.001 2.854) 11.919 11.236 ( 4.117 9.204 -5.213) 11.350 12.090 ( -0.674 -10.282 3.606) 10.917 12.376 ( 9.314 -7.657 -0.391) 12.063 12.605 ( 0.406 4.042 12.221) 12.879 12.998 ( -1.422 8.734 2.150) 9.106 13.686 ( -3.684 3.774 8.782) 10.244 14.092 ( -3.537 11.914 -3.972) 13.047 14.458 ( 0.964 0.015 -2.413) 2.598 14.553 ( -0.648 -7.046 3.309) 7.812 14.991 ( 0.479 -6.434 -3.548) 7.363 15.396 ( -4.525 -7.251 -17.752) 19.703 ======================= Grid point 76 (64/123) ======================= q-point: ( 0.24 -0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 2.779 8.426 4.961) 10.165 1.033 ( 4.096 6.317 11.532) 13.772 1.304 ( 5.549 9.919 2.649) 11.670 1.333 ( 0.064 -7.309 10.714) 12.969 1.675 ( 6.351 4.987 -3.619) 8.849 1.867 ( 0.842 0.898 0.723) 1.428 1.988 ( -9.135 -5.425 -2.275) 10.865 2.074 ( 0.421 2.276 1.004) 2.523 2.244 ( -2.225 0.369 4.047) 4.633 2.386 ( -3.503 -4.523 -3.294) 6.602 2.621 ( -1.423 -2.282 7.832) 8.281 2.864 ( 2.440 4.015 -0.995) 4.802 2.995 ( 1.169 -6.061 -2.394) 6.620 3.213 ( -1.588 -0.606 -4.462) 4.775 3.264 ( -2.457 -0.153 0.795) 2.587 3.500 ( 1.561 -2.822 -6.438) 7.201 3.774 ( -2.093 1.323 -7.054) 7.476 4.324 ( 10.256 -1.333 -9.127) 13.794 5.586 ( 2.992 -3.406 14.690) 15.374 6.013 ( -2.358 1.242 -0.347) 2.687 6.473 ( -4.669 -3.550 1.732) 6.116 6.576 ( -4.660 -2.836 4.039) 6.788 7.162 ( 0.229 -8.355 -1.043) 8.423 8.034 ( 3.517 3.336 -8.592) 9.865 10.564 ( -8.154 8.594 1.727) 11.971 11.494 ( 7.906 9.342 -6.462) 13.840 12.053 ( 2.340 -9.900 1.348) 10.262 12.329 ( 0.642 2.194 10.343) 10.592 12.632 ( 9.708 -6.276 -0.900) 11.595 12.843 ( -4.417 5.194 5.465) 8.738 13.497 ( -3.599 7.034 1.858) 8.117 14.096 ( -3.054 10.751 -2.764) 11.513 14.459 ( -0.689 -2.394 2.329) 3.411 14.568 ( 1.570 -3.671 -3.247) 5.146 15.059 ( -0.825 -9.564 -2.597) 9.945 15.553 ( -7.458 -3.337 -9.003) 12.158 ======================= Grid point 77 (65/123) ======================= q-point: ( 0.11 -0.11 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 1.865 1.258 0.000) 2.250 1.012 ( 1.238 6.218 0.000) 6.340 1.229 ( 1.485 -4.866 -0.000) 5.088 1.367 ( 1.877 9.954 0.000) 10.129 1.805 ( 3.314 2.806 0.000) 4.342 1.816 ( -6.206 -5.188 -0.000) 8.089 1.878 ( 0.509 -0.939 -0.000) 1.068 2.185 ( 2.650 4.179 0.000) 4.949 2.192 ( 2.003 -3.115 -0.000) 3.704 2.396 ( -3.618 0.130 -0.000) 3.620 2.405 ( -1.853 -1.486 -0.000) 2.375 2.863 ( -2.438 -0.122 -0.000) 2.442 3.099 ( 4.499 -4.004 -0.000) 6.023 3.162 ( -2.266 0.621 -0.000) 2.349 3.269 ( -0.686 0.193 -0.000) 0.712 3.610 ( 1.409 -2.049 -0.000) 2.487 3.822 ( -0.739 1.995 0.000) 2.127 4.629 ( 7.840 -2.066 0.000) 8.108 5.496 ( 3.976 -4.646 -0.000) 6.115 5.982 ( -2.208 2.227 0.000) 3.136 6.258 ( -8.392 -1.864 -0.000) 8.597 6.499 ( -0.349 0.327 0.000) 0.478 7.198 ( 1.398 -7.645 -0.000) 7.772 8.179 ( 1.641 3.372 0.000) 3.750 10.399 ( -5.692 6.361 0.000) 8.536 11.716 ( 2.670 -3.236 -0.000) 4.196 12.122 ( 5.859 1.130 0.000) 5.967 12.229 ( 1.611 2.015 0.000) 2.580 12.650 ( -5.850 2.895 -0.000) 6.527 12.830 ( 7.159 -1.652 0.000) 7.347 13.410 ( -4.249 4.009 0.000) 5.842 14.071 ( -2.462 3.242 0.000) 4.071 14.424 ( -0.016 -0.719 -0.000) 0.719 14.646 ( 1.675 -2.670 -0.000) 3.152 15.057 ( -1.503 -6.655 -0.000) 6.823 15.519 ( -3.571 0.189 -0.000) 3.576 ======================= Grid point 79 (66/123) ======================= q-point: (-0.14 -0.11 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -4.187 -0.589 -4.773) 6.376 1.279 ( -7.195 -10.180 -6.464) 14.042 1.394 ( -8.555 -4.746 -12.860) 16.158 1.627 ( 2.072 3.520 -9.576) 10.411 1.755 ( -4.233 0.697 -2.793) 5.119 1.894 ( 5.304 2.345 -2.072) 6.158 1.925 ( 1.567 3.417 -1.266) 3.966 2.069 ( 2.179 -1.309 -4.825) 5.454 2.255 ( 4.131 3.986 -0.683) 5.780 2.379 ( 1.120 1.685 -0.460) 2.075 2.722 ( -1.008 -6.546 -1.739) 6.847 2.844 ( 0.580 -0.091 -2.516) 2.583 2.986 ( -0.535 0.552 8.269) 8.305 3.050 ( 1.167 2.621 9.558) 9.979 3.261 ( 0.428 -3.901 -0.065) 3.925 3.351 ( 1.687 -0.000 9.651) 9.797 3.594 ( 1.711 8.960 7.618) 11.884 4.306 ( -6.745 -0.953 11.655) 13.499 5.895 ( -0.031 -3.483 -8.625) 9.302 6.072 ( 0.430 0.771 -13.073) 13.103 6.515 ( 0.184 0.216 -0.094) 0.299 6.630 ( 7.444 7.056 -7.396) 12.645 7.124 ( 1.581 -0.818 5.297) 5.589 7.871 ( -2.359 0.502 12.614) 12.843 10.428 ( 2.578 -0.535 -5.157) 5.790 11.254 ( -4.950 -9.303 10.496) 14.873 12.292 ( -0.645 6.562 -3.032) 7.258 12.541 ( -1.499 0.306 -7.092) 7.255 12.790 ( 0.192 -1.380 -6.974) 7.112 12.996 ( -6.958 5.710 -4.012) 9.855 13.241 ( 7.033 -8.669 0.298) 11.167 13.886 ( -1.982 -7.286 2.132) 7.846 14.472 ( 0.575 -0.812 4.716) 4.820 14.623 ( 2.682 6.658 -2.933) 7.754 15.019 ( 6.957 6.092 8.596) 12.626 15.281 ( 0.026 -1.528 8.501) 8.637 ======================= Grid point 80 (67/123) ======================= q-point: (-0.26 -0.11 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -4.720 -3.790 -6.920) 9.194 1.208 ( -5.942 -4.768 -1.567) 7.778 1.373 ( -8.609 -5.470 -7.793) 12.836 1.698 ( -4.859 2.757 2.521) 6.129 1.883 ( 0.784 -0.541 -8.421) 8.474 2.079 ( 6.202 -0.414 -2.560) 6.723 2.105 ( 0.751 2.139 -13.200) 13.394 2.270 ( 3.515 -1.613 -8.590) 9.420 2.375 ( 3.433 6.072 1.491) 7.133 2.438 ( 2.263 1.057 -4.886) 5.488 2.668 ( -1.885 -3.612 3.737) 5.528 2.780 ( 2.327 -1.005 10.909) 11.199 2.862 ( -0.740 -1.871 0.007) 2.013 2.926 ( 0.705 3.219 4.723) 5.759 3.111 ( 0.439 -2.094 9.005) 9.256 3.248 ( 3.435 -0.601 7.984) 8.713 3.569 ( -0.052 6.543 -1.458) 6.704 3.896 ( -7.933 2.852 11.296) 14.095 6.100 ( 1.813 -0.111 -9.275) 9.451 6.391 ( -0.589 -5.777 -12.686) 13.951 6.457 ( -0.621 -0.676 0.931) 1.308 6.913 ( 3.356 7.966 -5.985) 10.514 7.059 ( 3.417 -1.457 4.678) 5.974 7.503 ( -2.438 2.888 16.643) 17.067 10.654 ( 4.931 -2.212 -8.189) 9.812 11.005 ( -0.192 -5.136 7.106) 8.770 12.340 ( -2.644 2.910 -3.999) 5.608 12.531 ( -4.269 -1.182 2.402) 5.039 12.898 ( -7.002 5.823 -5.259) 10.516 12.923 ( -0.245 -0.600 -3.601) 3.659 13.547 ( 10.706 -11.035 -7.528) 17.119 13.867 ( 2.548 -4.444 -0.414) 5.140 14.400 ( 0.371 -2.119 0.786) 2.290 14.758 ( 2.584 7.999 -3.129) 8.969 14.935 ( 4.313 5.015 10.087) 12.062 15.066 ( 0.095 0.571 11.909) 11.923 ======================= Grid point 82 (68/123) ======================= q-point: (-0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -0.000 0.000 -6.858) 6.858 0.682 ( -0.000 0.000 -16.551) 16.551 0.723 ( -0.000 0.000 -15.158) 15.158 1.598 ( -0.000 0.000 -9.633) 9.633 1.667 ( -0.000 0.000 -25.506) 25.506 1.910 ( -0.000 0.000 -10.298) 10.298 1.972 ( 0.000 -0.000 0.711) 0.711 2.228 ( 0.000 -0.000 1.629) 1.629 2.394 ( -0.000 0.000 -5.294) 5.294 2.564 ( -0.000 0.000 -1.204) 1.204 2.615 ( 0.000 -0.000 4.153) 4.153 2.837 ( 0.000 -0.000 8.703) 8.703 3.107 ( 0.000 -0.000 6.785) 6.785 3.154 ( 0.000 -0.000 6.142) 6.142 3.384 ( -0.000 0.000 -6.890) 6.890 3.438 ( 0.000 -0.000 9.663) 9.663 3.829 ( 0.000 -0.000 9.615) 9.615 3.867 ( 0.000 -0.000 13.656) 13.656 6.036 ( -0.000 0.000 -11.042) 11.042 6.049 ( -0.000 0.000 -6.099) 6.099 6.451 ( 0.000 -0.000 1.999) 1.999 7.156 ( 0.000 -0.000 2.196) 2.196 7.333 ( 0.000 -0.000 8.999) 8.999 7.632 ( 0.000 -0.000 2.171) 2.171 10.503 ( -0.000 0.000 -6.760) 6.760 10.868 ( -0.000 0.000 -2.585) 2.585 12.123 ( -0.000 0.000 -5.538) 5.538 12.550 ( 0.000 -0.000 4.250) 4.250 12.921 ( 0.000 -0.000 0.418) 0.418 12.984 ( -0.000 0.000 -8.305) 8.305 13.162 ( -0.000 0.000 -12.814) 12.814 13.391 ( -0.000 0.000 -4.116) 4.116 14.608 ( 0.000 -0.000 5.626) 5.626 15.171 ( 0.000 -0.000 8.303) 8.303 15.173 ( 0.000 -0.000 6.369) 6.369 15.483 ( 0.000 -0.000 8.479) 8.479 ======================= Grid point 83 (69/123) ======================= q-point: (-0.25 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 9.826 -0.000 -7.458) 12.336 1.070 ( 4.361 0.000 -14.492) 15.134 1.097 ( 4.250 0.000 -14.294) 14.913 1.677 ( 3.095 -0.000 -0.883) 3.218 1.917 ( -2.363 0.000 1.258) 2.677 2.141 ( -3.745 0.000 -2.548) 4.529 2.166 ( -0.940 0.000 -6.880) 6.944 2.249 ( -0.419 0.000 -21.297) 21.302 2.511 ( 2.044 -0.000 5.617) 5.977 2.512 ( -1.554 0.000 -6.084) 6.279 2.595 ( -0.118 0.000 -0.812) 0.821 2.642 ( 2.562 -0.000 9.054) 9.410 2.892 ( -3.364 0.000 10.458) 10.986 3.044 ( -0.752 -0.000 3.509) 3.589 3.202 ( -2.722 -0.000 9.835) 10.205 3.344 ( -10.073 0.000 2.976) 10.504 3.621 ( 4.956 -0.000 12.530) 13.475 3.784 ( 9.861 -0.000 3.010) 10.310 6.189 ( -4.833 0.000 -9.352) 10.527 6.269 ( 0.259 0.000 -10.018) 10.022 6.421 ( 3.495 -0.000 1.020) 3.641 7.074 ( -4.303 0.000 9.468) 10.400 7.125 ( -1.109 0.000 -1.213) 1.644 7.527 ( 2.125 -0.000 12.379) 12.560 10.670 ( -1.330 0.000 -10.178) 10.265 10.900 ( -2.422 0.000 -2.421) 3.425 12.216 ( 2.218 -0.000 -0.488) 2.271 12.489 ( 4.615 -0.000 6.477) 7.953 12.978 ( 1.166 0.000 -4.559) 4.705 13.194 ( 2.028 0.000 -8.519) 8.757 13.367 ( -7.303 0.000 -11.175) 13.349 13.515 ( 0.598 0.000 -7.922) 7.944 14.469 ( -2.165 0.000 4.570) 5.057 14.983 ( 0.226 -0.000 8.666) 8.669 15.020 ( 0.115 -0.000 7.433) 7.434 15.214 ( -5.587 0.000 10.479) 11.875 ======================= Grid point 84 (70/123) ======================= q-point: (-0.37 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 7.951 -0.000 -6.955) 10.564 1.412 ( 3.569 -0.000 -7.760) 8.542 1.457 ( 4.561 -0.000 -10.397) 11.353 1.781 ( 6.348 -0.000 -0.169) 6.350 1.823 ( -2.062 0.000 4.796) 5.221 1.976 ( -4.869 0.000 -1.683) 5.152 2.275 ( 0.119 -0.000 13.111) 13.111 2.395 ( -0.778 0.000 -9.865) 9.896 2.459 ( 0.672 -0.000 5.230) 5.273 2.517 ( -6.134 0.000 -0.936) 6.205 2.518 ( -4.188 -0.000 15.996) 16.535 2.708 ( 1.174 0.000 -10.959) 11.021 2.746 ( 1.409 0.000 -7.763) 7.890 2.967 ( -3.551 0.000 1.251) 3.765 2.973 ( -2.301 0.000 3.647) 4.312 3.034 ( -8.458 0.000 3.924) 9.324 3.597 ( 10.049 -0.000 3.754) 10.727 3.903 ( 5.653 -0.000 3.235) 6.513 6.182 ( -0.301 -0.000 1.802) 1.827 6.448 ( -0.563 0.000 -6.942) 6.964 6.657 ( 0.114 0.000 -15.998) 15.998 6.769 ( -5.456 0.000 10.818) 12.117 7.184 ( 1.301 0.000 -5.086) 5.249 7.190 ( 0.674 -0.000 20.370) 20.381 10.858 ( -2.794 0.000 -11.037) 11.385 10.861 ( -4.311 0.000 -0.502) 4.340 12.256 ( 5.322 -0.000 2.824) 6.025 12.478 ( 6.317 -0.000 4.826) 7.949 13.091 ( -2.020 0.000 -3.587) 4.117 13.310 ( -10.519 0.000 -1.611) 10.642 13.378 ( 5.666 -0.000 -1.460) 5.851 13.730 ( -2.271 0.000 -12.713) 12.915 14.392 ( -3.202 0.000 -4.126) 5.223 14.757 ( -5.285 0.000 12.714) 13.768 14.904 ( 1.805 -0.000 4.257) 4.623 14.925 ( -1.908 0.000 3.460) 3.951 ======================= Grid point 85 (71/123) ======================= q-point: ( 0.50 -0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 3.869 -0.000 -2.453) 4.582 1.402 ( -8.242 -0.000 2.082) 8.501 1.684 ( 1.776 -0.000 -4.241) 4.598 1.768 ( 6.133 -0.000 2.623) 6.671 1.945 ( 5.626 0.000 6.551) 8.635 2.005 ( -5.738 -0.000 19.025) 19.871 2.016 ( 8.027 -0.000 7.147) 10.747 2.053 ( -2.993 -0.000 -6.611) 7.257 2.286 ( -9.782 -0.000 4.290) 10.681 2.380 ( 5.468 -0.000 7.463) 9.252 2.494 ( -4.779 0.000 -3.869) 6.149 2.868 ( 0.314 -0.000 0.302) 0.435 2.875 ( -2.158 -0.000 -0.302) 2.179 2.914 ( -1.192 0.000 -9.096) 9.174 2.966 ( -1.716 0.000 -5.306) 5.577 3.032 ( 0.352 0.000 -11.961) 11.966 3.859 ( 10.419 -0.000 -6.389) 12.222 3.909 ( 1.067 -0.000 0.708) 1.281 6.147 ( 2.509 -0.000 4.253) 4.938 6.315 ( -9.246 -0.000 17.158) 19.490 6.536 ( -0.699 0.000 -2.254) 2.360 6.843 ( 4.267 -0.000 15.079) 15.671 6.910 ( -2.080 0.000 -7.932) 8.200 7.467 ( 4.331 0.000 -15.901) 16.480 10.746 ( -5.239 -0.000 1.924) 5.581 10.997 ( -4.214 -0.000 -8.670) 9.640 12.365 ( 8.000 -0.000 -0.738) 8.034 12.551 ( 5.163 -0.000 0.038) 5.163 12.957 ( -2.043 -0.000 10.492) 10.689 13.042 ( -9.857 -0.000 5.271) 11.177 13.524 ( 3.115 -0.000 -2.928) 4.275 13.883 ( -7.668 0.000 -6.623) 10.132 14.374 ( -5.575 -0.000 5.967) 8.166 14.501 ( 2.113 0.000 -5.543) 5.932 14.926 ( 2.333 -0.000 -1.159) 2.605 14.959 ( 2.240 -0.000 -5.721) 6.144 ======================= Grid point 87 (72/123) ======================= q-point: ( 0.38 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -9.161 0.000 1.452) 9.275 1.227 ( -4.115 0.000 4.653) 6.211 1.462 ( -6.424 0.000 19.705) 20.726 1.651 ( 3.489 -0.000 10.500) 11.064 1.831 ( -0.860 0.000 -0.457) 0.974 1.867 ( 2.869 -0.000 1.220) 3.117 2.025 ( 1.713 -0.000 5.404) 5.669 2.090 ( -3.228 0.000 -0.584) 3.280 2.250 ( 10.127 -0.000 -1.189) 10.197 2.387 ( -3.107 0.000 1.432) 3.421 2.429 ( -1.191 0.000 -1.241) 1.720 2.881 ( 2.958 -0.000 0.127) 2.960 2.902 ( 1.024 0.000 -3.772) 3.909 3.091 ( 0.198 0.000 -7.650) 7.653 3.097 ( 0.950 0.000 -5.890) 5.966 3.310 ( 1.651 0.000 -11.443) 11.562 3.971 ( 0.880 0.000 -4.746) 4.827 4.153 ( 2.374 -0.000 -5.185) 5.703 5.823 ( -2.274 -0.000 13.141) 13.336 6.081 ( 0.371 -0.000 5.164) 5.178 6.536 ( -0.939 0.000 0.305) 0.988 6.720 ( 7.340 -0.000 8.114) 10.942 6.972 ( 1.041 -0.000 -0.780) 1.301 7.885 ( 1.044 0.000 -15.145) 15.181 10.579 ( -5.088 0.000 3.202) 6.012 11.051 ( -5.049 0.000 -5.611) 7.548 12.549 ( -8.786 0.000 1.479) 8.910 12.606 ( 6.422 -0.000 -4.241) 7.696 12.691 ( 3.193 -0.000 10.515) 10.989 12.856 ( 4.368 -0.000 2.052) 4.826 13.577 ( -15.681 0.000 6.138) 16.839 13.593 ( -1.558 0.000 -2.288) 2.768 14.420 ( 2.710 -0.000 -6.756) 7.279 14.657 ( 7.658 -0.000 1.452) 7.795 15.033 ( 3.301 -0.000 -2.854) 4.363 15.193 ( 1.662 0.000 -10.899) 11.025 ======================= Grid point 88 (73/123) ======================= q-point: ( 0.25 -0.12 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -6.298 0.000 17.679) 18.767 0.948 ( -10.962 0.000 5.036) 12.063 0.965 ( -10.958 0.000 1.217) 11.025 1.548 ( 5.575 -0.000 7.151) 9.067 1.730 ( -7.226 0.000 0.206) 7.228 1.865 ( -10.606 0.000 4.813) 11.647 1.920 ( 2.430 -0.000 -0.519) 2.484 2.122 ( 1.831 -0.000 -1.459) 2.341 2.320 ( -0.602 0.000 -0.246) 0.650 2.421 ( 1.457 -0.000 1.443) 2.051 2.435 ( 7.038 -0.000 0.017) 7.038 3.001 ( 6.559 -0.000 -1.326) 6.691 3.031 ( 1.389 0.000 -4.601) 4.806 3.177 ( 0.801 -0.000 0.798) 1.131 3.230 ( 0.730 0.000 -4.355) 4.416 3.551 ( 1.853 0.000 -7.182) 7.417 4.116 ( 1.395 0.000 -5.576) 5.748 4.154 ( -4.483 0.000 -0.783) 4.551 5.728 ( 6.080 -0.000 2.884) 6.729 5.948 ( -2.717 0.000 4.554) 5.303 6.494 ( -0.493 -0.000 1.871) 1.935 6.830 ( 12.066 -0.000 0.320) 12.070 7.031 ( 5.115 -0.000 0.677) 5.159 8.078 ( -4.782 0.000 -6.605) 8.154 10.432 ( -3.249 0.000 2.072) 3.854 11.025 ( -5.827 0.000 -2.653) 6.403 12.284 ( -9.024 0.000 3.157) 9.561 12.504 ( 4.178 -0.000 8.014) 9.038 12.964 ( 3.007 -0.000 -1.383) 3.310 12.966 ( 6.775 -0.000 -9.760) 11.881 13.157 ( -12.243 0.000 4.334) 12.987 13.600 ( -2.534 0.000 -4.031) 4.761 14.608 ( 2.898 -0.000 -4.336) 5.215 14.705 ( 6.801 -0.000 9.063) 11.331 15.163 ( 3.584 -0.000 -2.356) 4.289 15.427 ( 1.969 0.000 -6.715) 6.998 ======================= Grid point 89 (74/123) ======================= q-point: ( 0.13 -0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -10.233 0.000 -0.000) 10.233 0.622 ( -14.117 0.000 -0.000) 14.117 0.730 ( -11.319 0.000 -0.000) 11.319 1.349 ( -27.573 0.000 -0.000) 27.573 1.580 ( 4.444 -0.000 0.000) 4.444 1.638 ( -4.276 0.000 -0.000) 4.276 1.965 ( 1.135 -0.000 0.000) 1.135 2.192 ( 3.278 -0.000 0.000) 3.278 2.303 ( -0.953 0.000 -0.000) 0.953 2.477 ( 4.064 -0.000 0.000) 4.064 2.562 ( 5.325 -0.000 0.000) 5.325 3.106 ( -0.858 0.000 -0.000) 0.858 3.148 ( 5.181 -0.000 0.000) 5.181 3.159 ( 1.631 -0.000 0.000) 1.631 3.295 ( 0.963 -0.000 0.000) 0.963 3.665 ( 1.480 -0.000 0.000) 1.480 4.100 ( -2.231 0.000 -0.000) 2.231 4.210 ( 0.790 -0.000 0.000) 0.790 5.821 ( -0.902 0.000 -0.000) 0.902 5.821 ( 2.382 0.000 0.000) 2.382 6.461 ( -0.316 0.000 -0.000) 0.316 7.130 ( 13.695 -0.000 0.000) 13.695 7.163 ( 8.193 -0.000 0.000) 8.193 7.996 ( -8.638 0.000 -0.000) 8.638 10.366 ( -0.952 0.000 -0.000) 0.952 10.935 ( -5.341 0.000 -0.000) 5.341 12.086 ( -6.383 0.000 -0.000) 6.383 12.509 ( 4.572 -0.000 0.000) 4.572 12.902 ( -6.158 0.000 -0.000) 6.158 13.018 ( -0.874 0.000 -0.000) 0.874 13.210 ( 4.405 -0.000 0.000) 4.405 13.708 ( 2.021 -0.000 0.000) 2.021 14.598 ( 1.016 -0.000 0.000) 1.016 14.703 ( 1.847 -0.000 0.000) 1.847 15.259 ( 2.791 -0.000 0.000) 2.791 15.535 ( 1.564 -0.000 0.000) 1.564 ======================= Grid point 91 (75/123) ======================= q-point: ( 0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.000 13.530 5.483) 14.599 0.711 ( 0.000 10.871 11.705) 15.975 0.912 ( 0.000 15.439 3.310) 15.790 1.392 ( 0.000 11.514 5.366) 12.704 1.545 ( 0.000 -9.436 7.992) 12.366 1.654 ( 0.000 8.613 7.568) 11.465 2.026 ( -0.000 2.404 0.046) 2.405 2.179 ( -0.000 -4.524 -0.471) 4.548 2.431 ( 0.000 7.015 1.441) 7.161 2.551 ( 0.000 0.018 1.220) 1.220 2.604 ( -0.000 -4.035 -2.400) 4.694 2.796 ( 0.000 -8.024 0.165) 8.026 3.106 ( -0.000 -3.920 -3.814) 5.469 3.257 ( -0.000 -0.508 -4.971) 4.996 3.330 ( 0.000 1.863 5.055) 5.387 3.524 ( -0.000 -4.339 -6.638) 7.930 3.931 ( -0.000 -2.122 -4.839) 5.284 4.037 ( -0.000 -2.473 -9.974) 10.276 5.640 ( 0.000 -7.222 10.979) 13.141 6.032 ( 0.000 2.050 1.450) 2.511 6.501 ( 0.000 1.498 0.920) 1.758 6.928 ( 0.000 -10.489 1.204) 10.558 7.381 ( -0.000 -9.294 -5.356) 10.727 7.824 ( -0.000 6.414 -5.716) 8.591 10.618 ( 0.000 10.379 2.011) 10.572 11.010 ( -0.000 9.068 0.314) 9.074 12.175 ( 0.000 5.497 7.834) 9.570 12.334 ( 0.000 -13.019 0.763) 13.041 12.559 ( 0.000 -12.529 0.174) 12.530 12.804 ( 0.000 6.625 3.096) 7.313 13.377 ( 0.000 10.977 6.303) 12.658 13.833 ( -0.000 18.310 -0.369) 18.314 14.604 ( -0.000 -4.761 -3.327) 5.809 14.633 ( 0.000 -8.572 6.563) 10.796 15.178 ( -0.000 -6.467 -3.446) 7.328 15.975 ( -0.000 -5.027 -17.349) 18.063 ======================= Grid point 92 (76/123) ======================= q-point: ( 0.14 -0.14 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 4.319 9.849 0.000) 10.755 0.616 ( 6.779 11.956 0.000) 13.744 0.922 ( 3.990 15.583 0.000) 16.086 1.441 ( -1.528 -10.422 -0.000) 10.533 1.452 ( 9.435 22.356 0.000) 24.265 1.590 ( 2.645 1.728 0.000) 3.159 2.012 ( -1.497 1.812 0.000) 2.350 2.200 ( 1.097 -4.276 -0.000) 4.414 2.303 ( -7.887 1.718 -0.000) 8.072 2.596 ( 2.723 2.538 0.000) 3.722 2.598 ( -3.117 -1.893 -0.000) 3.647 2.811 ( 1.582 -10.310 -0.000) 10.431 3.145 ( -1.309 -4.431 -0.000) 4.621 3.238 ( -1.710 2.277 0.000) 2.847 3.303 ( -0.657 -0.219 -0.000) 0.693 3.607 ( 0.738 -3.712 -0.000) 3.785 3.941 ( -3.014 -3.467 -0.000) 4.594 4.225 ( 6.151 0.454 0.000) 6.168 5.527 ( 1.406 -8.796 -0.000) 8.908 6.007 ( -1.253 2.876 0.000) 3.137 6.489 ( -0.035 1.330 0.000) 1.330 6.881 ( -4.605 -13.582 -0.000) 14.341 7.388 ( -4.829 -8.256 -0.000) 9.565 7.935 ( 4.255 6.339 0.000) 7.635 10.531 ( -5.437 8.524 0.000) 10.110 11.090 ( 7.467 11.990 0.000) 14.125 12.085 ( 1.686 4.558 0.000) 4.860 12.384 ( 3.409 -18.795 -0.000) 19.101 12.624 ( 5.699 -9.655 -0.000) 11.212 12.734 ( -2.903 6.669 0.000) 7.274 13.348 ( 2.743 7.389 0.000) 7.882 13.830 ( -0.367 18.244 0.000) 18.248 14.530 ( -1.277 -3.690 -0.000) 3.905 14.650 ( 0.851 -4.017 -0.000) 4.106 15.244 ( 2.440 -7.855 -0.000) 8.225 15.995 ( -16.103 -3.064 -0.000) 16.392 ======================= Grid point 95 (77/123) ======================= q-point: (-0.24 -0.14 0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.108 -1.038 -6.226) 6.313 1.444 ( 3.148 2.109 6.385) 7.424 1.713 ( 1.051 2.085 -9.567) 9.848 1.808 ( 0.665 0.839 -0.065) 1.073 1.838 ( -0.268 -3.784 -2.881) 4.764 1.915 ( 0.445 -1.428 -14.363) 14.441 2.075 ( -1.135 1.886 -8.006) 8.304 2.127 ( -2.136 -2.339 -11.188) 11.628 2.199 ( -1.169 -0.166 0.221) 1.201 2.384 ( -0.033 -1.032 -0.465) 1.132 2.697 ( 0.518 6.276 9.280) 11.215 2.761 ( 0.333 -0.504 12.365) 12.380 2.848 ( -0.464 -2.173 1.246) 2.548 2.896 ( -0.301 -0.341 -0.276) 0.532 3.115 ( -1.431 1.088 7.902) 8.104 3.202 ( 2.596 8.722 8.839) 12.686 3.538 ( -1.533 -10.387 -7.254) 12.761 4.066 ( -1.050 -0.404 14.934) 14.977 6.073 ( 0.648 -0.569 -8.313) 8.358 6.425 ( 1.283 3.078 2.479) 4.155 6.515 ( 2.049 3.469 -17.609) 18.064 6.728 ( -3.826 -6.494 -11.534) 13.778 6.992 ( -0.052 1.476 5.801) 5.987 7.539 ( -0.745 -0.073 19.510) 19.525 10.554 ( 0.839 -1.734 -8.317) 8.537 11.040 ( 1.170 2.044 13.904) 14.102 12.388 ( -1.374 -1.453 -6.689) 6.981 12.658 ( 1.359 0.816 1.845) 2.432 12.956 ( 0.656 0.255 -7.120) 7.155 13.098 ( -6.893 6.809 -4.037) 10.496 13.292 ( 9.132 -7.480 -6.407) 13.431 13.759 ( -1.327 0.074 10.133) 10.220 14.421 ( 1.308 3.342 -0.465) 3.619 14.660 ( -0.162 2.336 -0.379) 2.372 14.748 ( -3.268 -5.705 2.819) 7.154 15.087 ( -0.159 0.798 9.902) 9.935 ======================= Grid point 96 (78/123) ======================= q-point: ( 0.64 -0.14 -0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -4.327 3.134 -1.522) 5.556 1.295 ( -1.450 -4.386 3.822) 5.995 1.684 ( -7.620 3.653 3.412) 9.114 1.746 ( -6.110 -2.662 -2.785) 7.224 2.005 ( 2.493 3.037 -0.852) 4.021 2.037 ( 0.480 0.705 4.154) 4.241 2.194 ( 4.981 0.409 -4.396) 6.656 2.240 ( 3.435 -3.500 1.215) 5.053 2.430 ( 1.304 3.584 -5.221) 6.466 2.453 ( 1.553 2.567 0.343) 3.020 2.515 ( 1.449 -2.643 -0.156) 3.019 2.545 ( 2.923 -5.698 2.700) 6.950 2.846 ( -1.202 2.489 0.292) 2.779 2.891 ( 0.136 -1.917 -0.218) 1.934 3.016 ( -0.855 8.034 -1.602) 8.237 3.110 ( 2.893 -0.472 2.753) 4.021 3.698 ( -4.376 0.050 -1.028) 4.495 3.773 ( -1.228 -6.771 -1.481) 7.039 6.245 ( -0.215 2.079 -1.523) 2.586 6.297 ( 1.824 -3.259 2.550) 4.522 6.784 ( -2.278 6.898 8.682) 11.320 6.876 ( 1.172 0.088 -5.596) 5.718 7.066 ( -0.161 0.093 -8.264) 8.266 7.138 ( 2.261 -4.767 3.546) 6.357 10.788 ( 2.211 -0.019 -2.770) 3.545 10.792 ( 2.253 -0.410 4.699) 5.227 12.483 ( -3.917 3.677 -4.345) 6.909 12.540 ( -1.937 -2.030 3.864) 4.775 12.997 ( -4.275 3.222 -0.837) 5.418 13.100 ( -2.859 -6.531 -0.588) 7.154 13.524 ( 5.877 7.100 10.183) 13.735 13.657 ( 8.601 -5.649 -6.789) 12.328 14.485 ( -0.164 6.019 5.434) 8.110 14.582 ( 4.067 -3.197 -5.208) 7.341 14.864 ( -0.843 0.020 -9.348) 9.386 14.890 ( 0.147 -2.068 6.968) 7.270 ======================= Grid point 99 (79/123) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.000 -6.404 -10.402) 12.215 1.256 ( -0.000 2.959 -7.685) 8.235 1.373 ( -0.000 0.131 -12.280) 12.280 1.556 ( 0.000 6.694 5.161) 8.453 1.959 ( -0.000 -4.586 -2.697) 5.321 2.190 ( 0.000 4.103 12.939) 13.574 2.245 ( 0.000 -4.919 3.606) 6.099 2.363 ( 0.000 -4.165 11.343) 12.084 2.418 ( -0.000 -1.298 -8.653) 8.750 2.608 ( -0.000 3.277 -3.511) 4.803 2.680 ( -0.000 -0.070 -10.814) 10.814 2.740 ( -0.000 -3.328 -5.060) 6.056 2.784 ( -0.000 -3.136 -1.197) 3.356 2.949 ( 0.000 6.529 2.438) 6.969 3.075 ( 0.000 1.795 2.153) 2.803 3.220 ( 0.000 4.167 12.492) 13.169 3.430 ( 0.000 -4.592 7.379) 8.691 3.611 ( -0.000 1.210 -3.050) 3.281 6.239 ( 0.000 -1.704 7.502) 7.693 6.432 ( -0.000 2.159 -7.714) 8.011 6.636 ( -0.000 -1.258 -17.285) 17.331 6.991 ( 0.000 -6.350 4.578) 7.828 7.032 ( 0.000 7.621 11.380) 13.696 7.217 ( 0.000 -1.137 7.922) 8.003 10.941 ( -0.000 -0.663 -11.254) 11.273 10.998 ( -0.000 0.708 -2.005) 2.126 12.170 ( 0.000 -3.866 5.136) 6.428 12.290 ( 0.000 -1.216 6.778) 6.887 13.027 ( -0.000 7.731 -8.297) 11.341 13.125 ( -0.000 11.371 -0.417) 11.379 13.698 ( -0.000 -10.487 -3.240) 10.976 13.944 ( -0.000 -10.535 -10.734) 15.040 14.474 ( -0.000 1.008 -5.964) 6.049 14.815 ( 0.000 -1.346 5.183) 5.354 14.837 ( 0.000 0.835 10.013) 10.048 14.971 ( 0.000 6.321 8.029) 10.219 ======================= Grid point 100 (80/123) ======================= q-point: ( 0.53 -0.15 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 1.445 0.050 -8.695) 8.815 1.382 ( 4.193 2.736 -0.241) 5.013 1.473 ( 3.595 11.597 4.037) 12.795 1.609 ( 0.911 2.428 -7.620) 8.049 1.862 ( 1.165 -0.020 16.565) 16.606 1.977 ( -3.819 -10.230 7.078) 13.013 2.013 ( 0.305 -2.257 8.229) 8.538 2.200 ( 2.607 -3.311 6.258) 7.545 2.442 ( -5.480 1.788 3.428) 6.707 2.602 ( -4.394 2.261 0.144) 4.943 2.746 ( -5.394 -4.404 -6.294) 9.386 2.840 ( -0.255 0.230 -3.025) 3.045 2.872 ( -0.853 8.474 -1.066) 8.583 2.953 ( -0.769 1.031 2.033) 2.406 2.998 ( -0.101 -2.648 -10.049) 10.393 3.277 ( -1.745 -9.613 2.345) 10.047 3.343 ( 7.899 1.894 -9.955) 12.849 3.750 ( 4.691 1.550 -3.490) 6.049 6.095 ( 0.173 -0.307 5.519) 5.531 6.528 ( -0.303 -0.571 0.593) 0.877 6.608 ( -0.134 4.880 22.057) 22.591 6.734 ( -2.519 -0.996 4.015) 4.844 7.077 ( -4.012 -3.209 -5.531) 7.549 7.284 ( 5.247 -3.300 -14.167) 15.464 10.959 ( -6.247 4.793 -0.188) 7.876 11.159 ( -1.791 1.688 -11.033) 11.304 12.084 ( 3.958 -3.636 6.628) 8.533 12.249 ( 8.167 -5.217 3.691) 10.370 12.988 ( -1.997 7.930 9.826) 12.784 13.188 ( 0.470 10.878 -2.740) 11.228 13.677 ( -4.308 -11.784 -0.040) 12.547 14.089 ( -4.497 -0.183 -8.591) 9.699 14.514 ( -3.296 2.364 3.380) 5.280 14.655 ( 2.393 4.713 6.630) 8.479 14.814 ( -4.148 -4.132 -5.702) 8.173 14.937 ( 2.399 -4.577 -6.749) 8.500 ======================= Grid point 101 (81/123) ======================= q-point: ( 0.40 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -1.519 9.181 0.219) 9.308 1.420 ( 6.820 3.123 11.186) 13.468 1.502 ( 3.726 1.308 12.423) 13.036 1.549 ( 0.410 -1.533 7.625) 7.788 1.682 ( 3.434 2.730 2.848) 5.230 1.784 ( -0.230 -1.108 -2.447) 2.696 1.899 ( -1.326 -5.276 1.304) 5.595 2.132 ( 0.218 -3.075 6.671) 7.349 2.280 ( -8.439 3.188 -1.821) 9.203 2.393 ( -3.172 1.407 3.134) 4.676 2.757 ( -2.453 -1.976 1.454) 3.469 2.841 ( -1.377 -3.456 0.180) 3.724 2.892 ( 1.309 0.351 -0.493) 1.442 3.041 ( -0.196 1.910 -9.305) 9.501 3.178 ( -1.079 -3.663 -5.210) 6.460 3.293 ( 0.200 -4.382 -6.934) 8.205 3.697 ( 2.812 8.633 -8.863) 12.688 4.008 ( 8.354 -5.867 -10.105) 14.364 5.998 ( 1.994 2.617 15.447) 15.793 6.057 ( -3.357 -1.683 11.439) 12.039 6.509 ( -0.068 -0.524 4.960) 4.988 6.610 ( -3.061 -0.077 1.241) 3.304 7.039 ( -0.962 -4.623 1.603) 4.987 7.768 ( 4.101 -0.563 -18.189) 18.654 10.778 ( -8.655 8.205 1.658) 12.040 11.329 ( -2.916 -3.785 -9.261) 10.421 12.101 ( 9.421 4.092 3.562) 10.872 12.446 ( 11.873 -7.807 -0.977) 14.244 12.674 ( -1.351 3.305 14.362) 14.799 13.075 ( -7.191 5.713 6.233) 11.100 13.616 ( -2.098 -2.084 -0.402) 2.984 14.119 ( -8.791 6.657 -6.373) 12.736 14.421 ( -1.047 -3.196 -0.900) 3.481 14.556 ( -0.166 -0.147 4.073) 4.079 14.870 ( 0.377 -1.154 -3.941) 4.124 15.212 ( -0.275 -5.693 -12.980) 14.177 ======================= Grid point 102 (82/123) ======================= q-point: ( 0.28 -0.15 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.215 0.164 15.198) 15.201 1.149 ( -3.306 6.826 2.476) 7.978 1.299 ( 4.622 -0.882 10.409) 11.423 1.501 ( -6.439 -2.055 1.545) 6.933 1.712 ( 4.202 -1.211 -0.433) 4.395 1.852 ( 0.748 0.005 -1.005) 1.252 1.905 ( 1.312 3.003 3.752) 4.981 2.089 ( 1.557 1.473 -3.911) 4.460 2.156 ( -1.131 -2.234 -0.222) 2.514 2.377 ( -0.895 1.817 -0.996) 2.257 2.637 ( 0.708 3.811 5.808) 6.982 2.781 ( -4.412 -4.826 -1.147) 6.639 2.998 ( 3.870 -3.478 -2.809) 5.913 3.169 ( -0.902 -0.523 -1.873) 2.144 3.228 ( -0.951 0.119 -3.704) 3.826 3.487 ( 1.855 -1.952 -6.866) 7.375 3.865 ( 0.893 9.106 -4.749) 10.309 4.392 ( 5.131 -9.917 -8.464) 14.011 5.585 ( 2.136 -3.255 14.197) 14.721 6.006 ( -1.416 2.688 -0.350) 3.058 6.385 ( 0.184 5.505 5.062) 7.481 6.532 ( -1.126 0.124 2.174) 2.452 7.016 ( 2.068 -9.175 1.107) 9.470 8.134 ( 1.212 1.756 -10.045) 10.269 10.570 ( -7.583 8.665 1.432) 11.603 11.408 ( -4.315 -13.081 -4.879) 14.613 12.323 ( 11.993 13.429 -2.141) 18.132 12.381 ( 0.232 2.167 9.532) 9.778 12.744 ( 7.701 -2.966 -0.520) 8.269 12.758 ( -5.163 -2.670 4.277) 7.216 13.533 ( -6.348 8.202 0.544) 10.386 13.991 ( -11.119 -6.928 -2.067) 13.262 14.448 ( 1.608 0.817 0.189) 1.813 14.557 ( 2.511 -2.776 -1.432) 4.008 14.976 ( 3.195 1.002 -2.353) 4.092 15.414 ( -1.083 -2.819 -7.170) 7.780 ======================= Grid point 103 (83/123) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -3.583 -3.046 -0.000) 4.703 1.055 ( -6.223 3.707 0.000) 7.243 1.262 ( -12.194 -4.250 -0.000) 12.913 1.303 ( 6.617 1.486 0.000) 6.782 1.830 ( -3.326 0.001 -0.000) 3.326 1.856 ( 6.051 3.688 0.000) 7.086 1.883 ( 2.532 -0.253 0.000) 2.545 2.090 ( -4.959 0.181 -0.000) 4.962 2.265 ( 6.051 1.605 0.000) 6.261 2.356 ( -1.149 0.196 -0.000) 1.166 2.581 ( -2.455 -1.840 -0.000) 3.068 2.770 ( 4.410 3.019 0.000) 5.344 3.119 ( 2.874 -2.888 -0.000) 4.075 3.134 ( -0.930 0.042 -0.000) 0.931 3.266 ( 0.016 0.253 0.000) 0.253 3.603 ( 1.722 -1.600 -0.000) 2.351 3.938 ( 1.156 9.314 0.000) 9.385 4.488 ( -2.802 -14.123 -0.000) 14.398 5.556 ( 6.291 -0.594 0.000) 6.319 5.962 ( -2.906 1.049 -0.000) 3.089 6.401 ( 8.131 12.885 0.000) 15.236 6.487 ( -0.645 -0.314 -0.000) 0.717 7.072 ( 3.829 -10.578 -0.000) 11.250 8.223 ( -2.513 1.883 0.000) 3.140 10.425 ( -4.743 6.781 0.000) 8.276 11.347 ( -6.422 -15.472 -0.000) 16.752 12.293 ( 0.040 3.067 0.000) 3.068 12.507 ( -6.590 -3.488 -0.000) 7.456 12.607 ( 10.003 17.091 0.000) 19.803 12.960 ( 5.585 0.448 0.000) 5.603 13.367 ( -7.788 3.139 -0.000) 8.397 13.820 ( -6.415 -11.974 -0.000) 13.584 14.479 ( 2.287 3.119 0.000) 3.868 14.635 ( 2.300 -2.656 -0.000) 3.514 15.099 ( 6.226 0.691 0.000) 6.264 15.471 ( -0.616 -0.207 -0.000) 0.650 ======================= Grid point 115 (84/123) ======================= q-point: ( 0.43 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.000 13.780 8.013) 15.940 1.112 ( 0.000 9.587 4.134) 10.441 1.216 ( 0.000 8.828 2.018) 9.056 1.513 ( 0.000 -1.818 6.402) 6.655 1.666 ( 0.000 -5.207 17.723) 18.472 1.805 ( -0.000 -1.372 -4.003) 4.232 2.112 ( 0.000 -4.585 5.038) 6.812 2.261 ( 0.000 9.423 7.651) 12.138 2.352 ( -0.000 -11.203 -4.957) 12.251 2.610 ( 0.000 0.919 2.387) 2.558 2.630 ( 0.000 8.444 3.010) 8.964 2.771 ( 0.000 -0.161 4.510) 4.513 2.951 ( -0.000 -2.567 -4.297) 5.006 3.083 ( -0.000 -1.259 -9.791) 9.872 3.267 ( -0.000 -4.105 -9.056) 9.943 3.397 ( 0.000 -3.793 0.994) 3.921 3.688 ( -0.000 -4.222 -16.415) 16.950 3.788 ( -0.000 0.351 -6.321) 6.331 5.887 ( 0.000 0.895 15.868) 15.894 6.131 ( 0.000 0.232 9.063) 9.066 6.542 ( 0.000 0.681 0.438) 0.809 6.793 ( 0.000 -7.271 2.506) 7.691 7.182 ( 0.000 -5.780 0.679) 5.820 7.657 ( -0.000 -0.013 -16.006) 16.006 10.874 ( 0.000 10.256 2.123) 10.473 11.179 ( -0.000 9.254 -2.610) 9.615 12.128 ( 0.000 -11.383 2.660) 11.690 12.242 ( 0.000 -9.080 -0.049) 9.080 12.602 ( 0.000 5.477 12.575) 13.716 13.013 ( 0.000 9.444 1.271) 9.530 13.725 ( 0.000 2.712 10.109) 10.467 14.132 ( -0.000 14.913 -3.384) 15.292 14.447 ( -0.000 -1.168 -2.506) 2.765 14.560 ( 0.000 -7.928 3.270) 8.576 14.981 ( -0.000 -5.483 -3.155) 6.326 15.449 ( -0.000 -8.824 -19.347) 21.264 ======================= Grid point 116 (85/123) ======================= q-point: ( 0.30 -0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 1.686 10.609 7.110) 12.882 0.935 ( 4.541 8.396 10.632) 14.288 1.211 ( 3.029 10.572 1.962) 11.171 1.338 ( -0.381 -9.571 11.434) 14.916 1.564 ( 4.070 4.855 -4.699) 7.888 1.844 ( 1.167 4.332 2.446) 5.110 2.052 ( 0.390 -3.712 -0.614) 3.783 2.127 ( -2.754 4.344 1.904) 5.485 2.357 ( -8.487 -0.991 2.971) 9.047 2.453 ( -2.536 -6.386 -3.118) 7.546 2.641 ( -0.300 -1.632 5.125) 5.387 2.754 ( 6.661 2.335 0.786) 7.102 3.014 ( -1.545 -3.893 -2.895) 5.091 3.241 ( -1.005 -0.174 -5.495) 5.589 3.319 ( -2.623 -0.252 1.656) 3.112 3.463 ( 1.928 -3.651 -5.783) 7.105 3.834 ( -3.715 -0.001 -6.600) 7.574 4.126 ( 8.489 -0.748 -9.852) 13.026 5.536 ( 1.668 -4.380 15.308) 16.010 6.049 ( -1.164 1.059 0.093) 1.576 6.516 ( -0.756 -0.101 0.717) 1.047 6.692 ( -4.639 -7.983 2.993) 9.706 7.163 ( -0.232 -10.765 0.126) 10.768 7.965 ( 2.762 4.449 -9.253) 10.632 10.738 ( -8.025 10.727 1.342) 13.463 11.317 ( 8.166 12.694 -2.571) 15.311 12.044 ( -1.437 -13.215 0.724) 13.313 12.307 ( 2.252 2.722 9.099) 9.760 12.429 ( 8.261 -9.411 1.128) 12.573 12.923 ( -2.885 7.788 4.084) 9.255 13.547 ( -1.376 7.479 3.988) 8.587 14.162 ( -2.844 16.707 -2.452) 17.124 14.478 ( -1.109 -4.111 1.526) 4.524 14.536 ( 1.563 -4.756 -1.975) 5.382 15.052 ( 0.948 -8.439 -2.140) 8.758 15.723 ( -7.527 -8.773 -12.103) 16.736 ======================= Grid point 117 (86/123) ======================= q-point: ( 0.18 -0.18 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 3.682 4.008 0.000) 5.442 0.958 ( 3.873 11.092 0.000) 11.749 1.211 ( 0.354 -10.041 -0.000) 10.048 1.276 ( 5.320 10.871 0.000) 12.103 1.720 ( 4.327 3.900 0.000) 5.825 1.849 ( 2.549 3.502 0.000) 4.331 2.004 ( -8.936 -0.408 -0.000) 8.945 2.138 ( -1.229 3.448 0.000) 3.661 2.147 ( 2.275 -4.735 -0.000) 5.253 2.467 ( -2.933 -7.853 -0.000) 8.383 2.486 ( -4.570 -0.761 -0.000) 4.633 2.878 ( 3.077 4.580 0.000) 5.517 3.022 ( 0.932 -7.251 -0.000) 7.310 3.221 ( -3.201 1.429 -0.000) 3.506 3.287 ( -0.996 0.285 -0.000) 1.036 3.574 ( 2.021 -2.969 -0.000) 3.591 3.850 ( -2.003 0.804 -0.000) 2.159 4.433 ( 9.958 0.974 0.000) 10.006 5.416 ( 3.573 -7.161 -0.000) 8.003 6.025 ( -1.860 2.374 0.000) 3.016 6.473 ( -10.724 -8.006 -0.000) 13.382 6.507 ( -0.363 0.797 0.000) 0.876 7.173 ( 0.964 -10.596 -0.000) 10.640 8.127 ( 3.109 5.205 0.000) 6.063 10.546 ( -8.302 8.922 0.000) 12.188 11.566 ( 10.456 11.578 0.000) 15.601 12.052 ( 1.351 -14.616 -0.000) 14.678 12.198 ( 1.281 3.516 0.000) 3.742 12.646 ( 10.258 -6.203 -0.000) 11.988 12.774 ( -5.709 5.768 0.000) 8.115 13.481 ( -2.326 6.454 0.000) 6.861 14.126 ( -3.026 12.886 0.000) 13.236 14.434 ( -0.890 -2.545 -0.000) 2.696 14.605 ( 2.144 -4.012 -0.000) 4.549 15.086 ( -0.451 -10.275 -0.000) 10.285 15.653 ( -9.288 -3.316 -0.000) 9.862 ======================= Grid point 120 (87/123) ======================= q-point: (-0.20 -0.18 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -3.128 -0.187 -6.834) 7.518 1.337 ( -6.284 -4.792 1.618) 8.067 1.571 ( -9.855 -4.389 -6.709) 12.704 1.788 ( -2.614 1.007 0.777) 2.907 1.861 ( 1.169 1.390 -10.007) 10.170 1.950 ( 4.495 -0.080 -4.852) 6.615 2.101 ( 0.520 0.309 -12.101) 12.116 2.193 ( 3.878 0.703 -6.651) 7.731 2.275 ( 5.330 5.515 -1.151) 7.755 2.401 ( 1.483 1.086 -1.921) 2.658 2.690 ( -0.395 -5.398 5.829) 7.954 2.756 ( 0.066 -0.264 12.965) 12.968 2.860 ( 0.639 0.764 2.145) 2.365 2.910 ( 0.882 1.987 1.162) 2.465 3.122 ( -1.091 -2.982 8.040) 8.644 3.189 ( 1.856 -5.213 8.201) 9.893 3.562 ( 0.780 9.338 -4.659) 10.465 4.030 ( -4.468 2.382 13.878) 14.773 6.072 ( 0.695 -0.715 -9.031) 9.086 6.404 ( -0.742 -5.626 -4.948) 7.529 6.477 ( -1.443 -0.989 -7.976) 8.165 6.825 ( 4.956 7.865 -10.623) 14.117 7.008 ( 1.542 -1.399 5.757) 6.122 7.537 ( -0.880 1.577 18.817) 18.904 10.573 ( 2.630 -0.154 -8.628) 9.022 11.017 ( -0.953 -4.095 11.425) 12.174 12.387 ( -1.449 3.106 -5.818) 6.752 12.607 ( -3.197 -2.577 1.725) 4.454 12.935 ( -0.895 -1.130 -5.744) 5.922 13.064 ( -8.540 7.503 -3.330) 11.845 13.325 ( 10.129 -9.845 -7.322) 15.910 13.808 ( 2.938 -0.644 5.707) 6.451 14.400 ( -0.540 -4.043 0.089) 4.080 14.698 ( 2.921 4.158 -1.740) 5.371 14.831 ( 4.821 5.496 6.645) 9.880 15.080 ( -0.751 -0.401 10.189) 10.224 ======================= Grid point 123 (88/123) ======================= q-point: (-0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -0.000 0.000 -9.964) 9.964 1.022 ( -0.000 0.000 -15.104) 15.104 1.055 ( -0.000 0.000 -15.898) 15.898 1.644 ( -0.000 0.000 -0.696) 0.696 1.944 ( 0.000 -0.000 2.059) 2.059 2.154 ( -0.000 0.000 -12.376) 12.376 2.207 ( 0.000 -0.000 0.157) 0.157 2.253 ( -0.000 0.000 -23.888) 23.888 2.481 ( 0.000 -0.000 8.386) 8.386 2.527 ( -0.000 0.000 -6.950) 6.950 2.591 ( 0.000 -0.000 8.142) 8.142 2.619 ( 0.000 -0.000 2.326) 2.326 2.931 ( 0.000 -0.000 9.638) 9.638 3.051 ( 0.000 -0.000 3.075) 3.075 3.237 ( 0.000 -0.000 8.902) 8.902 3.522 ( -0.000 0.000 -5.747) 5.747 3.562 ( 0.000 -0.000 14.753) 14.753 3.607 ( 0.000 -0.000 11.084) 11.084 6.258 ( -0.000 0.000 -14.105) 14.105 6.265 ( -0.000 0.000 -10.148) 10.148 6.366 ( 0.000 -0.000 5.897) 5.897 7.125 ( 0.000 -0.000 10.341) 10.341 7.136 ( -0.000 0.000 -0.191) 0.191 7.500 ( 0.000 -0.000 10.895) 10.895 10.685 ( -0.000 0.000 -10.471) 10.471 10.931 ( -0.000 0.000 -3.341) 3.341 12.193 ( -0.000 0.000 -0.242) 0.242 12.434 ( 0.000 -0.000 6.622) 6.622 12.963 ( -0.000 0.000 -5.030) 5.030 13.176 ( -0.000 0.000 -8.673) 8.673 13.467 ( -0.000 0.000 -15.523) 15.523 13.489 ( -0.000 0.000 -4.811) 4.811 14.493 ( 0.000 -0.000 4.223) 4.223 14.981 ( 0.000 -0.000 9.270) 9.270 15.018 ( 0.000 -0.000 8.042) 8.042 15.273 ( 0.000 -0.000 11.110) 11.110 ======================= Grid point 124 (89/123) ======================= q-point: (-0.31 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 6.340 -0.000 -10.367) 12.152 1.325 ( 3.731 -0.000 -8.651) 9.421 1.393 ( 1.760 0.000 -13.238) 13.355 1.678 ( 3.502 -0.000 0.615) 3.555 1.874 ( -2.080 0.000 2.779) 3.471 2.096 ( -6.308 0.000 2.248) 6.697 2.268 ( 0.396 -0.000 16.758) 16.762 2.367 ( 4.642 -0.000 6.564) 8.040 2.407 ( 0.336 0.000 -8.058) 8.065 2.615 ( -3.236 0.000 -4.197) 5.300 2.663 ( -6.660 0.000 9.162) 11.327 2.686 ( 0.727 0.000 -14.050) 14.069 2.722 ( 1.040 0.000 -6.688) 6.768 3.005 ( -1.046 0.000 1.461) 1.797 3.046 ( -3.743 0.000 3.140) 4.885 3.230 ( -9.843 0.000 6.643) 11.875 3.390 ( 9.454 -0.000 8.396) 12.644 3.751 ( 8.453 -0.000 0.451) 8.465 6.205 ( -1.433 -0.000 5.270) 5.462 6.448 ( 0.260 0.000 -6.507) 6.512 6.650 ( 0.466 0.000 -19.855) 19.861 6.872 ( -3.962 0.000 9.159) 9.979 7.157 ( 1.098 -0.000 -1.529) 1.882 7.176 ( 0.670 -0.000 20.669) 20.680 10.912 ( -2.091 0.000 -12.319) 12.496 10.956 ( -4.213 0.000 -2.767) 5.040 12.165 ( 3.247 -0.000 4.649) 5.671 12.343 ( 5.806 -0.000 7.227) 9.271 13.122 ( -0.771 0.000 -7.503) 7.542 13.294 ( 2.342 -0.000 -0.066) 2.342 13.499 ( -6.878 0.000 -2.320) 7.258 13.775 ( -1.882 0.000 -14.449) 14.571 14.461 ( -3.004 0.000 -4.967) 5.805 14.799 ( -0.224 -0.000 8.415) 8.418 14.864 ( 1.820 -0.000 6.814) 7.053 14.997 ( -3.572 0.000 9.121) 9.795 ======================= Grid point 125 (90/123) ======================= q-point: (-0.44 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 3.906 -0.000 -7.213) 8.202 1.504 ( 1.907 -0.000 -1.332) 2.327 1.654 ( 1.152 0.000 -7.430) 7.519 1.681 ( -2.451 0.000 7.249) 7.653 1.783 ( 7.812 -0.000 -0.355) 7.820 1.919 ( 3.034 -0.000 18.273) 18.524 2.007 ( 0.850 -0.000 9.854) 9.890 2.225 ( -2.759 0.000 1.772) 3.279 2.305 ( -3.325 0.000 8.308) 8.949 2.489 ( -9.146 0.000 3.949) 9.962 2.583 ( -3.828 0.000 -7.614) 8.522 2.850 ( 0.802 -0.000 -2.060) 2.211 2.920 ( -2.142 0.000 1.514) 2.623 2.952 ( -1.450 0.000 -8.377) 8.501 3.007 ( -2.055 0.000 -3.128) 3.743 3.046 ( -2.060 0.000 -7.053) 7.348 3.617 ( 12.551 -0.000 -6.359) 14.070 3.859 ( 3.716 -0.000 0.394) 3.737 6.107 ( 1.289 -0.000 3.914) 4.121 6.473 ( -4.464 -0.000 14.397) 15.073 6.576 ( -4.172 0.000 -0.038) 4.172 6.766 ( 3.004 -0.000 16.734) 17.001 6.965 ( -3.142 0.000 -8.119) 8.706 7.365 ( 5.450 -0.000 -14.781) 15.753 10.874 ( -6.865 0.000 -0.519) 6.885 11.087 ( -4.402 0.000 -10.057) 10.978 12.198 ( 7.951 -0.000 1.955) 8.187 12.386 ( 9.677 -0.000 3.747) 10.377 13.014 ( -3.232 -0.000 11.229) 11.685 13.279 ( -11.591 0.000 4.322) 12.371 13.444 ( 4.100 -0.000 -5.896) 7.181 14.001 ( -4.142 0.000 -12.016) 12.710 14.514 ( -2.871 0.000 -3.856) 4.808 14.519 ( -7.354 0.000 9.046) 11.658 14.883 ( 1.674 -0.000 0.523) 1.754 14.899 ( 3.454 -0.000 -5.943) 6.874 ======================= Grid point 126 (91/123) ======================= q-point: ( 0.44 -0.19 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -1.315 0.000 -0.264) 1.341 1.350 ( -7.586 0.000 4.171) 8.657 1.552 ( -2.319 -0.000 18.556) 18.701 1.579 ( 3.479 -0.000 14.396) 14.810 1.747 ( 6.949 -0.000 2.087) 7.255 1.818 ( 1.749 -0.000 -1.664) 2.414 2.029 ( 10.823 -0.000 -2.423) 11.091 2.062 ( -4.239 0.000 5.613) 7.033 2.205 ( -7.402 0.000 3.117) 8.031 2.343 ( 2.538 -0.000 -2.979) 3.914 2.580 ( -8.402 0.000 -4.672) 9.614 2.830 ( 1.851 -0.000 3.290) 3.775 2.891 ( 0.225 0.000 -1.526) 1.543 3.085 ( 0.284 0.000 -5.052) 5.060 3.097 ( -0.765 0.000 -7.823) 7.860 3.278 ( 1.505 0.000 -10.783) 10.887 3.940 ( 2.073 -0.000 -3.160) 3.779 4.039 ( 8.105 -0.000 -9.831) 12.741 5.913 ( -5.550 -0.000 19.397) 20.176 6.067 ( 0.910 -0.000 2.884) 3.024 6.559 ( -0.628 0.000 1.186) 1.342 6.592 ( 4.060 -0.000 7.816) 8.808 6.968 ( -0.492 0.000 1.402) 1.486 7.839 ( 3.160 0.000 -17.651) 17.932 10.709 ( -7.410 0.000 1.629) 7.587 11.155 ( -5.046 0.000 -6.093) 7.911 12.424 ( 10.362 -0.000 -4.710) 11.383 12.564 ( 8.483 -0.000 -1.173) 8.563 12.677 ( -0.913 -0.000 14.171) 14.201 12.907 ( -10.170 0.000 7.196) 12.459 13.601 ( 0.672 0.000 -3.462) 3.526 13.916 ( -16.518 0.000 2.005) 16.639 14.378 ( 1.145 0.000 -4.613) 4.753 14.543 ( 3.300 -0.000 0.802) 3.396 14.962 ( 3.409 -0.000 -2.020) 3.962 15.161 ( 1.413 0.000 -11.591) 11.677 ======================= Grid point 127 (92/123) ======================= q-point: ( 0.31 -0.19 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -3.462 -0.000 17.692) 18.027 1.145 ( -7.955 0.000 2.624) 8.376 1.187 ( -10.497 0.000 0.712) 10.521 1.423 ( 6.318 -0.000 9.046) 11.034 1.842 ( -3.074 0.000 0.198) 3.080 1.871 ( 1.861 -0.000 -0.445) 1.913 1.924 ( 3.658 -0.000 3.142) 4.822 2.113 ( -0.977 0.000 -1.124) 1.489 2.273 ( 8.557 -0.000 -0.868) 8.601 2.364 ( -1.666 0.000 0.641) 1.785 2.475 ( -7.986 0.000 -2.070) 8.250 2.861 ( 6.551 -0.000 1.235) 6.666 2.995 ( 1.905 -0.000 -4.934) 5.289 3.164 ( 0.523 -0.000 -0.238) 0.575 3.221 ( 0.037 0.000 -4.401) 4.401 3.510 ( 2.083 0.000 -6.914) 7.221 4.073 ( 2.593 -0.000 -4.186) 4.924 4.231 ( -2.336 0.000 -2.224) 3.226 5.616 ( 4.433 -0.000 6.385) 7.773 5.999 ( -2.113 0.000 2.478) 3.256 6.507 ( -0.687 0.000 1.934) 2.052 6.607 ( 8.856 -0.000 2.780) 9.282 6.947 ( 3.078 -0.000 2.192) 3.779 8.146 ( -1.738 0.000 -8.951) 9.118 10.529 ( -6.108 0.000 1.553) 6.302 11.143 ( -5.481 0.000 -2.958) 6.228 12.434 ( 2.426 -0.000 8.701) 9.033 12.493 ( -10.906 0.000 2.915) 11.289 12.793 ( 10.115 -0.000 -8.045) 12.924 12.849 ( 8.031 -0.000 -0.650) 8.057 13.472 ( -17.854 0.000 3.413) 18.177 13.636 ( -1.191 0.000 -1.609) 2.002 14.544 ( 3.228 -0.000 -4.406) 5.461 14.585 ( 4.851 -0.000 4.359) 6.521 15.083 ( 4.054 -0.000 -1.777) 4.426 15.392 ( 1.256 0.000 -7.119) 7.229 ======================= Grid point 128 (93/123) ======================= q-point: ( 0.19 -0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -7.572 0.000 -0.000) 7.572 0.895 ( -12.166 0.000 -0.000) 12.166 0.964 ( -11.178 0.000 -0.000) 11.178 1.467 ( 6.424 -0.000 0.000) 6.424 1.735 ( -4.902 0.000 -0.000) 4.902 1.809 ( -15.189 0.000 -0.000) 15.189 1.926 ( 2.525 -0.000 0.000) 2.525 2.137 ( 1.662 -0.000 0.000) 1.662 2.327 ( -1.341 0.000 -0.000) 1.341 2.404 ( 1.350 -0.000 0.000) 1.350 2.434 ( 6.918 -0.000 0.000) 6.918 3.014 ( 7.658 -0.000 0.000) 7.658 3.112 ( 0.512 -0.000 0.000) 0.512 3.131 ( 0.815 -0.000 0.000) 0.815 3.277 ( 0.707 -0.000 0.000) 0.707 3.629 ( 1.968 -0.000 0.000) 1.968 4.164 ( -3.987 0.000 -0.000) 3.987 4.179 ( 2.212 -0.000 0.000) 2.212 5.698 ( 6.721 -0.000 0.000) 6.721 5.899 ( -3.848 0.000 -0.000) 3.848 6.470 ( -0.553 0.000 -0.000) 0.553 6.834 ( 14.148 -0.000 0.000) 14.148 7.018 ( 5.849 -0.000 0.000) 5.849 8.149 ( -6.051 0.000 -0.000) 6.051 10.410 ( -3.506 0.000 -0.000) 3.506 11.054 ( -5.992 0.000 -0.000) 5.992 12.248 ( -9.190 0.000 -0.000) 9.190 12.414 ( 4.370 -0.000 0.000) 4.370 12.980 ( 2.762 -0.000 0.000) 2.762 13.089 ( 7.513 -0.000 0.000) 7.513 13.111 ( -12.126 0.000 -0.000) 12.126 13.669 ( 1.494 -0.000 0.000) 1.494 14.569 ( 1.768 -0.000 0.000) 1.768 14.655 ( 2.726 -0.000 0.000) 2.726 15.189 ( 3.913 -0.000 0.000) 3.913 15.499 ( 1.721 -0.000 0.000) 1.721 ======================= Grid point 131 (94/123) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.000 14.018 0.000) 14.018 0.538 ( 0.000 11.097 0.000) 11.097 0.878 ( 0.000 16.534 0.000) 16.534 1.347 ( 0.000 27.515 0.000) 27.515 1.458 ( -0.000 -10.967 -0.000) 10.967 1.562 ( 0.000 1.681 0.000) 1.681 2.028 ( 0.000 2.105 0.000) 2.105 2.188 ( -0.000 -4.554 -0.000) 4.554 2.416 ( 0.000 7.062 0.000) 7.062 2.537 ( -0.000 -0.502 -0.000) 0.502 2.631 ( -0.000 -1.905 -0.000) 1.905 2.791 ( -0.000 -11.506 -0.000) 11.506 3.163 ( -0.000 -4.528 -0.000) 4.528 3.257 ( 0.000 2.795 0.000) 2.795 3.310 ( -0.000 -0.263 -0.000) 0.263 3.599 ( -0.000 -4.456 -0.000) 4.456 3.984 ( -0.000 -2.585 -0.000) 2.585 4.151 ( -0.000 -1.469 -0.000) 1.469 5.511 ( -0.000 -8.989 -0.000) 8.989 6.020 ( 0.000 2.687 0.000) 2.687 6.489 ( 0.000 1.425 0.000) 1.425 6.913 ( -0.000 -11.287 -0.000) 11.287 7.456 ( -0.000 -13.824 -0.000) 13.824 7.885 ( 0.000 8.831 0.000) 8.831 10.597 ( 0.000 10.915 0.000) 10.915 11.007 ( 0.000 9.620 0.000) 9.620 12.067 ( 0.000 5.193 0.000) 5.193 12.325 ( -0.000 -13.492 -0.000) 13.492 12.562 ( -0.000 -13.049 -0.000) 13.049 12.765 ( 0.000 6.768 0.000) 6.768 13.313 ( 0.000 11.104 0.000) 11.104 13.837 ( 0.000 19.165 0.000) 19.165 14.545 ( -0.000 -3.319 -0.000) 3.319 14.640 ( -0.000 -4.856 -0.000) 4.856 15.216 ( -0.000 -7.189 -0.000) 7.189 16.191 ( -0.000 -9.976 -0.000) 9.976 ======================= Grid point 135 (95/123) ======================= q-point: ( 0.70 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.987 -0.320 -7.475) 7.546 1.290 ( 0.987 -0.320 7.475) 7.546 1.799 ( -1.573 2.254 -0.601) 2.813 1.799 ( 1.573 2.254 0.601) 2.813 2.002 ( 0.096 -1.886 -7.356) 7.595 2.002 ( -0.096 -1.886 7.356) 7.595 2.162 ( -2.193 0.631 -2.543) 3.416 2.162 ( 2.193 0.631 2.543) 3.416 2.428 ( -0.353 2.999 -9.246) 9.726 2.428 ( 0.353 2.999 9.246) 9.726 2.508 ( -0.304 -4.431 -4.678) 6.451 2.508 ( 0.304 -4.431 4.678) 6.451 2.874 ( -0.145 0.613 -2.007) 2.103 2.874 ( 0.145 0.613 2.007) 2.103 3.052 ( -2.335 3.917 -2.928) 5.419 3.052 ( 2.335 3.917 2.928) 5.419 3.765 ( 0.081 -3.980 -13.101) 13.692 3.765 ( -0.081 -3.980 13.101) 13.692 6.262 ( -0.264 -0.618 -9.127) 9.151 6.262 ( 0.264 -0.618 9.127) 9.151 6.835 ( 1.539 5.327 -9.153) 10.701 6.835 ( -1.539 5.327 9.153) 10.701 7.091 ( -0.761 -4.106 -21.644) 22.043 7.091 ( 0.761 -4.106 21.644) 22.043 10.766 ( -0.051 -0.249 -11.726) 11.729 10.766 ( 0.051 -0.249 11.726) 11.729 12.543 ( -1.093 0.589 -7.366) 7.470 12.543 ( 1.093 0.589 7.366) 7.470 13.090 ( 0.760 1.736 -4.417) 4.806 13.090 ( -0.760 1.736 4.417) 4.806 13.510 ( 3.912 -2.750 -12.574) 13.453 13.510 ( -3.912 -2.750 12.574) 13.453 14.512 ( 1.235 2.184 -7.487) 7.896 14.512 ( -1.235 2.184 7.487) 7.896 14.881 ( -0.656 -1.431 -9.231) 9.364 14.881 ( 0.656 -1.431 9.231) 9.364 ======================= Grid point 140 (96/123) ======================= q-point: ( 0.59 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -0.000 -1.311 -11.152) 11.229 1.335 ( 0.000 2.192 1.110) 2.457 1.435 ( 0.000 13.206 4.602) 13.985 1.600 ( -0.000 2.853 -8.465) 8.933 1.849 ( 0.000 -0.112 17.457) 17.457 2.002 ( 0.000 -1.484 16.048) 16.117 2.038 ( -0.000 -11.298 -2.438) 11.558 2.163 ( 0.000 -3.920 7.617) 8.567 2.497 ( 0.000 1.804 1.599) 2.411 2.654 ( -0.000 2.900 -1.609) 3.316 2.817 ( -0.000 -2.472 -6.477) 6.933 2.839 ( -0.000 -0.171 -4.371) 4.374 2.884 ( 0.000 8.952 3.942) 9.781 2.964 ( -0.000 1.672 -0.104) 1.675 3.010 ( -0.000 -1.689 -2.278) 2.836 3.194 ( -0.000 -3.483 -10.566) 11.125 3.339 ( -0.000 -7.612 -1.163) 7.701 3.693 ( -0.000 1.762 -4.800) 5.113 6.094 ( 0.000 -0.359 5.935) 5.946 6.532 ( -0.000 -0.554 -1.615) 1.707 6.604 ( 0.000 5.324 24.768) 25.334 6.766 ( 0.000 -1.085 2.833) 3.034 7.150 ( 0.000 -2.386 2.369) 3.362 7.197 ( -0.000 -4.514 -21.345) 21.817 11.035 ( -0.000 4.456 -1.435) 4.682 11.174 ( -0.000 3.321 -10.301) 10.823 12.047 ( 0.000 -5.794 5.999) 8.340 12.151 ( 0.000 -4.691 6.033) 7.643 13.010 ( 0.000 8.619 10.884) 13.883 13.180 ( -0.000 10.881 -5.389) 12.142 13.725 ( 0.000 -11.458 1.076) 11.508 14.137 ( -0.000 -2.327 -8.673) 8.980 14.570 ( 0.000 3.752 0.791) 3.834 14.607 ( 0.000 6.101 9.303) 11.125 14.882 ( 0.000 -1.664 1.809) 2.458 14.890 ( -0.000 -8.297 -14.205) 16.450 ======================= Grid point 141 (97/123) ======================= q-point: ( 0.46 -0.21 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -1.747 9.149 1.144) 9.384 1.285 ( 4.970 3.338 7.133) 9.312 1.429 ( 3.267 5.541 9.680) 11.622 1.518 ( 2.591 -0.045 3.695) 4.513 1.610 ( 1.840 0.037 14.490) 14.606 1.790 ( -0.041 -0.182 -5.385) 5.389 1.981 ( -4.316 -7.546 1.884) 8.895 2.116 ( 0.529 -7.341 2.760) 7.860 2.399 ( -2.817 4.925 0.345) 5.684 2.518 ( -7.734 2.605 5.726) 9.969 2.773 ( 0.320 0.039 6.986) 6.994 2.813 ( 3.015 -0.194 2.429) 3.876 2.920 ( -2.362 1.545 -3.535) 4.524 3.053 ( -0.760 0.413 -10.643) 10.678 3.195 ( -0.541 -2.826 -7.470) 8.005 3.292 ( -0.012 -6.003 -3.620) 7.010 3.641 ( 2.378 1.685 -15.369) 15.643 3.860 ( 5.402 -2.167 -7.092) 9.175 5.960 ( 1.362 4.303 14.811) 15.483 6.104 ( -1.243 -1.870 13.354) 13.541 6.516 ( -0.368 -2.279 2.380) 3.316 6.675 ( -2.757 -1.322 2.398) 3.886 7.061 ( -0.969 -4.773 3.916) 6.249 7.689 ( 3.123 -0.324 -19.604) 19.854 10.957 ( -8.062 8.414 0.314) 11.657 11.368 ( -0.387 3.414 -8.493) 9.162 11.948 ( 4.217 -2.934 5.783) 7.735 12.201 ( 11.044 -9.339 0.973) 14.496 12.703 ( -1.139 4.562 15.383) 16.086 13.184 ( -3.352 10.114 3.784) 11.307 13.656 ( -1.700 -6.066 1.046) 6.385 14.262 ( -4.631 4.460 -7.200) 9.652 14.450 ( -1.766 0.962 1.174) 2.328 14.553 ( 0.699 4.786 3.297) 5.853 14.873 ( -0.268 -4.815 -1.781) 5.141 15.233 ( -1.494 -8.833 -16.288) 18.589 ======================= Grid point 142 (98/123) ======================= q-point: ( 0.34 -0.21 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 2.166 2.391 14.307) 14.666 1.172 ( 1.580 -0.477 9.330) 9.475 1.233 ( 1.853 6.428 6.330) 9.210 1.446 ( 5.619 4.061 1.744) 7.149 1.781 ( 3.254 3.214 -4.887) 6.693 1.827 ( -6.052 -6.595 -1.731) 9.117 1.880 ( -0.827 -0.591 0.761) 1.270 2.040 ( 1.392 -5.401 1.330) 5.734 2.248 ( -5.696 0.357 3.708) 6.806 2.403 ( -1.551 4.292 -2.807) 5.358 2.619 ( 0.447 2.322 7.814) 8.163 2.864 ( 1.228 -7.147 -0.242) 7.256 2.923 ( -0.596 1.879 -2.259) 2.999 3.204 ( -2.142 -0.340 -4.981) 5.433 3.256 ( -1.782 -0.476 -2.923) 3.456 3.447 ( 2.059 -2.445 -6.179) 6.957 3.854 ( 0.032 6.457 -5.341) 8.380 4.251 ( 7.809 -5.990 -11.556) 15.179 5.535 ( 2.587 -1.964 19.270) 19.542 6.036 ( -1.422 1.235 -1.442) 2.372 6.427 ( -3.321 -0.104 2.368) 4.080 6.562 ( -1.851 0.133 3.094) 3.608 6.981 ( 1.322 -9.249 2.998) 9.812 8.091 ( 2.771 2.260 -11.321) 11.872 10.749 ( -9.513 9.809 0.982) 13.700 11.483 ( -2.975 -8.775 -5.113) 10.583 12.055 ( 12.883 9.353 0.942) 15.948 12.381 ( 0.203 2.171 10.171) 10.402 12.488 ( 12.995 -8.561 -0.815) 15.583 12.934 ( -7.868 3.724 6.005) 10.575 13.618 ( -2.441 4.944 -0.008) 5.513 14.233 ( -10.773 4.165 -4.433) 12.371 14.435 ( -0.499 -1.180 1.037) 1.648 14.510 ( 1.902 -2.708 -0.210) 3.316 14.930 ( 1.470 -2.473 -1.902) 3.449 15.457 ( -3.080 -5.673 -8.953) 11.037 ======================= Grid point 143 (99/123) ======================= q-point: ( 0.21 -0.21 0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.639 -1.738 -0.000) 1.851 1.156 ( -3.741 8.612 0.000) 9.389 1.164 ( 6.594 -1.852 0.000) 6.849 1.485 ( -6.202 -0.531 -0.000) 6.225 1.718 ( 2.816 -2.360 -0.000) 3.674 1.859 ( 0.774 2.350 0.000) 2.474 1.864 ( -0.051 -0.499 -0.000) 0.501 2.144 ( 5.181 -1.727 0.000) 5.461 2.159 ( -1.861 -2.209 -0.000) 2.888 2.401 ( -3.125 0.343 -0.000) 3.144 2.546 ( 4.011 10.141 0.000) 10.906 2.799 ( -5.210 -5.598 -0.000) 7.647 3.033 ( 5.224 -2.543 0.000) 5.810 3.176 ( -3.018 0.828 -0.000) 3.129 3.273 ( -0.721 0.240 -0.000) 0.760 3.564 ( 2.122 -2.424 -0.000) 3.222 3.919 ( 0.689 7.876 0.000) 7.906 4.492 ( 2.523 -11.048 -0.000) 11.333 5.422 ( 6.377 -2.769 0.000) 6.952 6.019 ( -2.467 1.486 0.000) 2.880 6.328 ( -0.871 7.859 0.000) 7.907 6.502 ( -0.769 0.032 -0.000) 0.770 7.001 ( 3.090 -11.575 -0.000) 11.980 8.244 ( 0.351 2.805 0.000) 2.827 10.555 ( -7.764 8.958 0.000) 11.854 11.460 ( -4.532 -15.341 -0.000) 15.997 12.273 ( 1.060 2.119 0.000) 2.369 12.353 ( 14.132 15.448 0.000) 20.938 12.683 ( -9.286 0.702 -0.000) 9.313 12.775 ( 11.587 -5.005 0.000) 12.622 13.528 ( -6.338 8.404 0.000) 10.526 14.014 ( -12.314 -8.438 -0.000) 14.927 14.437 ( 1.759 1.957 0.000) 2.631 14.581 ( 2.816 -3.821 -0.000) 4.746 15.001 ( 3.406 0.411 0.000) 3.431 15.493 ( -1.885 -2.242 -0.000) 2.929 ======================= Grid point 156 (100/123) ======================= q-point: ( 0.36 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 0.000 13.515 5.291) 14.513 0.883 ( 0.000 6.581 13.749) 15.243 1.181 ( 0.000 11.625 1.232) 11.690 1.343 ( 0.000 -10.234 11.785) 15.608 1.519 ( -0.000 4.723 -5.097) 6.949 1.830 ( 0.000 6.017 3.411) 6.917 2.046 ( -0.000 -4.089 -0.281) 4.099 2.153 ( 0.000 6.405 3.316) 7.212 2.452 ( -0.000 -12.016 -4.521) 12.839 2.552 ( 0.000 0.006 2.268) 2.269 2.581 ( 0.000 7.176 1.529) 7.337 2.675 ( 0.000 -3.611 4.647) 5.885 3.032 ( -0.000 -3.175 -3.235) 4.533 3.251 ( -0.000 -0.023 -5.532) 5.532 3.354 ( 0.000 0.502 2.507) 2.556 3.436 ( -0.000 -4.627 -6.387) 7.887 3.900 ( -0.000 -0.976 -3.944) 4.063 4.009 ( -0.000 -0.279 -12.696) 12.699 5.519 ( 0.000 -4.781 15.567) 16.285 6.062 ( 0.000 0.935 0.233) 0.964 6.523 ( 0.000 0.463 0.788) 0.914 6.740 ( 0.000 -8.354 2.374) 8.685 7.167 ( 0.000 -12.068 0.511) 12.079 7.934 ( -0.000 4.892 -9.561) 10.740 10.841 ( 0.000 12.378 0.939) 12.414 11.213 ( -0.000 11.791 -0.869) 11.823 12.084 ( 0.000 -12.712 1.467) 12.796 12.238 ( 0.000 -4.195 1.949) 4.626 12.358 ( 0.000 -3.419 8.001) 8.701 12.954 ( 0.000 8.515 3.549) 9.225 13.560 ( 0.000 7.700 4.873) 9.112 14.195 ( -0.000 18.795 -2.236) 18.928 14.501 ( 0.000 -5.408 2.191) 5.835 14.508 ( -0.000 -4.751 -2.474) 5.356 15.039 ( -0.000 -7.623 -2.100) 7.907 15.809 ( -0.000 -11.370 -13.544) 17.684 ======================= Grid point 157 (101/123) ======================= q-point: ( 0.24 -0.24 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 2.843 5.613 0.000) 6.292 0.862 ( 4.705 13.297 0.000) 14.104 1.192 ( 2.484 12.153 0.000) 12.404 1.209 ( -0.051 -13.144 -0.000) 13.144 1.644 ( 2.717 4.037 0.000) 4.867 1.782 ( 3.183 10.458 0.000) 10.931 2.078 ( -1.222 5.660 0.000) 5.790 2.105 ( 1.565 -5.474 -0.000) 5.693 2.318 ( -11.993 -1.489 -0.000) 12.085 2.507 ( -0.904 -10.052 -0.000) 10.093 2.566 ( -2.917 -1.313 -0.000) 3.198 2.745 ( 8.264 2.584 0.000) 8.658 3.049 ( -1.948 -4.627 -0.000) 5.021 3.284 ( -2.592 2.117 0.000) 3.347 3.306 ( -0.803 0.766 0.000) 1.109 3.532 ( 1.933 -3.956 -0.000) 4.403 3.902 ( -2.874 -0.453 -0.000) 2.910 4.248 ( 7.402 2.080 0.000) 7.689 5.356 ( 2.055 -8.519 -0.000) 8.763 6.055 ( -0.997 2.116 0.000) 2.339 6.513 ( -0.238 1.129 0.000) 1.154 6.651 ( -5.888 -9.874 -0.000) 11.496 7.162 ( 0.130 -13.853 -0.000) 13.853 8.066 ( 2.472 6.416 0.000) 6.876 10.724 ( -8.280 11.206 0.000) 13.933 11.345 ( 9.803 13.854 0.000) 16.971 12.048 ( -0.808 -16.000 -0.000) 16.021 12.179 ( 0.593 4.870 0.000) 4.906 12.429 ( 9.840 -10.560 -0.000) 14.434 12.871 ( -3.414 7.217 0.000) 7.984 13.508 ( -0.530 8.485 0.000) 8.501 14.189 ( -2.675 18.464 0.000) 18.657 14.457 ( -1.302 -3.576 -0.000) 3.806 14.561 ( 1.979 -5.030 -0.000) 5.405 15.075 ( 0.998 -9.108 -0.000) 9.163 15.859 ( -9.051 -10.013 -0.000) 13.498 ======================= Grid point 164 (102/123) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -0.000 0.000 -12.484) 12.484 1.284 ( -0.000 0.000 -8.594) 8.594 1.376 ( -0.000 0.000 -14.091) 14.091 1.641 ( 0.000 -0.000 0.871) 0.871 1.896 ( 0.000 -0.000 1.837) 1.837 2.194 ( 0.000 -0.000 3.209) 3.209 2.263 ( 0.000 -0.000 17.987) 17.987 2.286 ( 0.000 -0.000 8.674) 8.674 2.404 ( -0.000 0.000 -9.483) 9.483 2.648 ( -0.000 0.000 -7.363) 7.363 2.683 ( -0.000 0.000 -13.541) 13.541 2.706 ( -0.000 0.000 -5.919) 5.919 2.743 ( 0.000 -0.000 5.722) 5.722 3.015 ( 0.000 -0.000 1.507) 1.507 3.105 ( 0.000 -0.000 1.277) 1.277 3.262 ( 0.000 -0.000 13.413) 13.413 3.372 ( 0.000 -0.000 10.919) 10.919 3.622 ( -0.000 0.000 -4.095) 4.095 6.223 ( 0.000 -0.000 7.080) 7.080 6.445 ( -0.000 0.000 -6.404) 6.404 6.644 ( -0.000 0.000 -21.920) 21.920 6.915 ( 0.000 -0.000 9.019) 9.019 7.145 ( -0.000 0.000 -0.133) 0.133 7.168 ( 0.000 -0.000 20.335) 20.335 10.935 ( -0.000 0.000 -12.804) 12.804 11.005 ( -0.000 0.000 -3.627) 3.627 12.130 ( 0.000 -0.000 5.551) 5.551 12.276 ( 0.000 -0.000 8.113) 8.113 13.127 ( -0.000 0.000 -9.783) 9.783 13.273 ( 0.000 -0.000 1.305) 1.305 13.572 ( -0.000 0.000 -2.308) 2.308 13.796 ( -0.000 0.000 -15.168) 15.168 14.496 ( -0.000 0.000 -6.043) 6.043 14.800 ( 0.000 -0.000 7.448) 7.448 14.843 ( 0.000 -0.000 8.376) 8.376 15.036 ( 0.000 -0.000 10.540) 10.540 ======================= Grid point 165 (103/123) ======================= q-point: (-0.37 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 2.656 0.000 -11.752) 12.048 1.405 ( 4.563 -0.000 0.946) 4.660 1.634 ( 0.920 0.000 -8.392) 8.443 1.660 ( 3.766 -0.000 0.109) 3.767 1.801 ( -6.091 0.000 4.703) 7.696 1.871 ( 1.604 -0.000 19.806) 19.871 1.995 ( 0.332 -0.000 10.690) 10.695 2.163 ( 3.700 -0.000 7.286) 8.172 2.462 ( -5.829 0.000 2.078) 6.189 2.641 ( -5.134 0.000 2.069) 5.536 2.677 ( -6.178 0.000 -8.642) 10.623 2.839 ( 0.241 0.000 -3.707) 3.715 2.960 ( -1.686 0.000 2.757) 3.232 2.966 ( -0.181 0.000 -11.009) 11.010 3.038 ( -0.394 0.000 0.209) 0.446 3.116 ( -4.053 0.000 2.016) 4.527 3.363 ( 11.176 -0.000 -8.019) 13.755 3.768 ( 4.471 -0.000 -2.232) 4.997 6.092 ( 0.243 -0.000 4.544) 4.550 6.512 ( -0.647 -0.000 2.661) 2.738 6.659 ( -1.521 -0.000 20.293) 20.350 6.739 ( -1.200 -0.000 8.365) 8.451 7.039 ( -4.044 0.000 -8.104) 9.057 7.248 ( 5.673 -0.000 -14.194) 15.286 11.012 ( -5.871 0.000 -2.456) 6.364 11.170 ( -3.364 0.000 -11.660) 12.135 12.052 ( 5.673 -0.000 5.409) 7.839 12.193 ( 7.951 -0.000 6.702) 10.399 13.077 ( -2.513 -0.000 12.429) 12.681 13.372 ( 2.610 0.000 -8.628) 9.014 13.479 ( -7.090 0.000 4.389) 8.338 14.065 ( -2.190 0.000 -12.470) 12.660 14.597 ( -4.672 0.000 -1.091) 4.797 14.642 ( -4.076 0.000 5.914) 7.182 14.818 ( 4.272 -0.000 -7.944) 9.020 14.863 ( 0.293 -0.000 3.353) 3.366 ======================= Grid point 166 (104/123) ======================= q-point: (-0.50 0.75 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.624 0.000 -3.285) 3.343 1.428 ( 2.641 -0.000 12.188) 12.471 1.511 ( 2.886 -0.000 15.696) 15.959 1.534 ( 1.664 -0.000 6.949) 7.145 1.712 ( -4.917 0.000 7.451) 8.927 1.789 ( 2.877 -0.000 -3.019) 4.170 1.825 ( 6.868 -0.000 -3.716) 7.809 2.101 ( 1.380 -0.000 8.739) 8.847 2.355 ( -4.106 0.000 -6.217) 7.450 2.376 ( -8.705 0.000 5.947) 10.542 2.732 ( -5.626 0.000 -5.454) 7.836 2.804 ( 0.812 -0.000 5.058) 5.123 2.889 ( -0.487 0.000 0.469) 0.676 3.086 ( -0.314 0.000 -4.608) 4.619 3.119 ( -1.345 0.000 -7.659) 7.776 3.248 ( 1.387 0.000 -9.749) 9.847 3.846 ( 9.881 -0.000 -14.030) 17.160 3.890 ( 2.677 -0.000 -2.879) 3.931 6.014 ( -3.621 -0.000 24.950) 25.212 6.047 ( 0.861 -0.000 1.368) 1.616 6.510 ( 2.054 -0.000 5.695) 6.054 6.612 ( -2.630 0.000 1.402) 2.980 6.986 ( -1.137 -0.000 3.696) 3.867 7.763 ( 4.034 0.000 -19.686) 20.095 10.878 ( -8.766 0.000 0.123) 8.766 11.263 ( -5.469 0.000 -6.356) 8.384 12.193 ( 11.661 -0.000 -1.578) 11.767 12.327 ( 12.959 -0.000 1.775) 13.080 12.711 ( -2.058 -0.000 15.603) 15.738 13.140 ( -10.892 0.000 8.216) 13.643 13.576 ( 1.485 0.000 -5.659) 5.850 14.207 ( -9.187 0.000 -6.795) 11.427 14.400 ( -5.038 0.000 1.842) 5.364 14.512 ( 0.072 -0.000 2.413) 2.414 14.896 ( 2.926 -0.000 -1.475) 3.277 15.136 ( 0.985 0.000 -13.591) 13.626 ======================= Grid point 168 (105/123) ======================= q-point: ( 0.38 -0.25 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.942 -0.000 17.632) 17.657 1.239 ( 2.594 -0.000 5.690) 6.253 1.335 ( -1.923 0.000 5.198) 5.543 1.394 ( -9.034 0.000 0.821) 9.071 1.725 ( 9.364 -0.000 0.395) 9.372 1.851 ( 0.189 0.000 -0.927) 0.946 1.937 ( -1.773 0.000 4.865) 5.178 2.088 ( 9.081 -0.000 -2.813) 9.506 2.160 ( -3.472 0.000 1.294) 3.705 2.393 ( -1.910 0.000 -1.318) 2.320 2.666 ( -8.585 0.000 -2.608) 8.972 2.746 ( 4.306 -0.000 3.896) 5.807 2.951 ( 2.370 -0.000 -3.907) 4.570 3.164 ( -0.845 0.000 -2.337) 2.485 3.229 ( -0.742 0.000 -4.396) 4.458 3.466 ( 2.190 -0.000 -6.498) 6.858 4.014 ( 2.999 -0.000 -3.195) 4.381 4.233 ( 2.198 0.000 -7.598) 7.910 5.550 ( 2.130 -0.000 13.622) 13.788 6.033 ( -1.250 0.000 0.376) 1.305 6.468 ( 3.493 -0.000 2.676) 4.400 6.535 ( -1.080 0.000 2.192) 2.444 6.899 ( 1.711 -0.000 3.981) 4.333 8.153 ( 0.954 0.000 -10.988) 11.029 10.680 ( -8.437 0.000 1.037) 8.501 11.250 ( -4.986 0.000 -2.953) 5.795 12.404 ( 0.767 -0.000 9.426) 9.457 12.551 ( 12.991 -0.000 -5.103) 13.957 12.596 ( 10.481 -0.000 -1.650) 10.611 12.762 ( -8.945 0.000 5.893) 10.712 13.656 ( -0.782 0.000 -1.648) 1.824 13.873 ( -20.391 0.000 1.395) 20.439 14.479 ( 2.984 -0.000 -3.872) 4.889 14.505 ( 3.010 -0.000 2.109) 3.675 15.001 ( 3.782 -0.000 -1.463) 4.055 15.378 ( 0.082 0.000 -7.885) 7.885 ======================= Grid point 169 (106/123) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -4.147 0.000 -0.000) 4.147 1.120 ( -9.720 0.000 -0.000) 9.720 1.188 ( -10.439 0.000 -0.000) 10.439 1.318 ( 7.881 -0.000 0.000) 7.881 1.829 ( -3.937 0.000 -0.000) 3.937 1.876 ( 1.865 -0.000 0.000) 1.865 1.899 ( 5.158 -0.000 0.000) 5.158 2.126 ( -0.367 0.000 -0.000) 0.367 2.283 ( 7.607 -0.000 0.000) 7.607 2.358 ( -1.740 0.000 -0.000) 1.740 2.498 ( -9.447 0.000 -0.000) 9.447 2.846 ( 8.155 -0.000 0.000) 8.155 3.079 ( 2.742 -0.000 0.000) 2.742 3.135 ( -1.343 0.000 -0.000) 1.343 3.269 ( 0.041 -0.000 0.000) 0.041 3.585 ( 2.282 -0.000 0.000) 2.282 4.122 ( 3.241 -0.000 0.000) 3.241 4.253 ( -4.221 0.000 -0.000) 4.221 5.549 ( 7.519 -0.000 0.000) 7.519 5.974 ( -3.343 0.000 -0.000) 3.343 6.484 ( -0.802 0.000 -0.000) 0.802 6.580 ( 9.711 -0.000 0.000) 9.711 6.918 ( 4.023 -0.000 0.000) 4.023 8.243 ( -2.974 0.000 -0.000) 2.974 10.512 ( -6.331 0.000 -0.000) 6.331 11.174 ( -5.536 0.000 -0.000) 5.536 12.337 ( 2.901 -0.000 0.000) 2.901 12.458 ( -10.947 0.000 -0.000) 10.947 12.858 ( 8.817 -0.000 0.000) 8.817 12.892 ( 11.632 -0.000 0.000) 11.632 13.436 ( -18.707 0.000 -0.000) 18.707 13.655 ( -0.200 0.000 -0.000) 0.200 14.527 ( 2.292 -0.000 0.000) 2.292 14.592 ( 3.329 -0.000 0.000) 3.329 15.103 ( 4.295 -0.000 0.000) 4.295 15.470 ( 0.955 -0.000 0.000) 0.955 ======================= Grid point 181 (107/123) ======================= q-point: ( 0.53 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 5.710 7.464) 9.398 1.257 ( 0.000 5.027 2.527) 5.627 1.385 ( 0.000 10.122 2.932) 10.538 1.485 ( 0.000 -1.077 5.380) 5.486 1.596 ( 0.000 -1.893 18.641) 18.737 1.790 ( -0.000 0.277 -6.001) 6.008 2.026 ( 0.000 -4.060 5.651) 6.958 2.117 ( -0.000 -12.227 -3.679) 12.769 2.424 ( 0.000 6.898 4.026) 7.987 2.626 ( 0.000 0.699 3.414) 3.485 2.757 ( 0.000 3.037 6.686) 7.343 2.771 ( 0.000 0.063 7.409) 7.410 2.946 ( -0.000 3.362 -4.473) 5.596 3.063 ( -0.000 -0.764 -11.179) 11.205 3.200 ( -0.000 -2.528 -8.514) 8.881 3.292 ( -0.000 -6.544 -2.647) 7.059 3.614 ( -0.000 -3.288 -18.929) 19.212 3.802 ( -0.000 0.871 -5.081) 5.155 5.946 ( 0.000 4.716 15.276) 15.987 6.116 ( 0.000 -2.016 13.176) 13.329 6.520 ( 0.000 -2.564 1.596) 3.020 6.706 ( 0.000 -1.749 2.828) 3.325 7.072 ( 0.000 -4.930 5.023) 7.038 7.655 ( -0.000 -0.144 -20.311) 20.312 11.059 ( -0.000 8.171 -0.843) 8.214 11.357 ( -0.000 8.518 -6.690) 10.831 11.932 ( 0.000 -8.360 4.675) 9.579 12.052 ( 0.000 -9.177 2.960) 9.643 12.715 ( 0.000 5.008 15.722) 16.500 13.218 ( 0.000 11.410 2.419) 11.664 13.675 ( 0.000 -7.073 2.225) 7.415 14.307 ( -0.000 0.379 -6.763) 6.773 14.478 ( 0.000 3.675 3.285) 4.929 14.538 ( 0.000 8.088 0.680) 8.116 14.875 ( -0.000 -5.174 -0.846) 5.243 15.253 ( -0.000 -10.640 -17.559) 20.531 ======================= Grid point 182 (108/123) ======================= q-point: ( 0.40 -0.28 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 2.014 2.467 14.722) 15.063 1.115 ( 3.501 -0.659 8.883) 9.571 1.178 ( 2.451 3.267 10.037) 10.836 1.401 ( -0.523 7.912 0.916) 7.982 1.672 ( 4.683 6.002 -6.509) 10.016 1.878 ( -0.462 0.312 -1.768) 1.854 1.942 ( -0.676 -6.237 -0.440) 6.289 2.086 ( -6.327 -10.608 0.282) 12.355 2.356 ( -1.944 4.405 5.946) 7.651 2.444 ( -4.276 2.888 -0.436) 5.178 2.618 ( -0.268 -0.320 6.141) 6.155 2.754 ( 6.373 -3.836 2.477) 7.840 2.990 ( -2.879 1.701 -2.506) 4.179 3.243 ( -1.464 0.457 -6.367) 6.549 3.301 ( -2.511 -1.342 -3.052) 4.174 3.402 ( 2.241 -2.462 -5.319) 6.274 3.867 ( -1.262 2.914 -5.304) 6.182 4.097 ( 6.511 -2.326 -14.393) 15.967 5.488 ( 1.765 -0.853 21.491) 21.580 6.059 ( -0.738 0.071 -1.622) 1.783 6.486 ( -1.881 -2.325 -0.045) 2.991 6.608 ( -2.240 -1.260 3.980) 4.738 6.961 ( 0.665 -9.070 4.686) 10.231 8.034 ( 2.366 2.536 -11.998) 12.489 10.949 ( -9.292 10.494 0.310) 14.020 11.509 ( 1.620 4.078 -4.792) 6.497 11.852 ( 4.584 -2.748 3.145) 6.202 12.200 ( 12.519 -11.077 -0.604) 16.727 12.400 ( -0.323 2.862 11.839) 12.184 13.064 ( -4.425 6.135 5.953) 9.626 13.650 ( -0.902 3.040 -0.280) 3.183 14.375 ( -2.810 2.284 -3.272) 4.880 14.454 ( 0.435 -2.140 -0.923) 2.371 14.511 ( -3.220 8.029 0.785) 8.686 14.909 ( 0.651 -5.245 -1.480) 5.488 15.530 ( -3.375 -10.129 -10.642) 15.074 ======================= Grid point 183 (109/123) ======================= q-point: ( 0.28 -0.28 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 1.535 0.307 0.000) 1.565 1.042 ( 4.925 -6.566 -0.000) 8.208 1.194 ( 1.244 12.917 0.000) 12.977 1.430 ( 4.913 4.884 0.000) 6.927 1.808 ( 3.431 4.915 0.000) 5.994 1.862 ( -8.167 -8.361 -0.000) 11.688 1.877 ( -4.152 -3.045 -0.000) 5.149 2.054 ( 3.645 -4.743 -0.000) 5.982 2.187 ( -1.707 -0.046 -0.000) 1.708 2.478 ( -3.929 -0.144 -0.000) 3.932 2.485 ( 1.886 8.244 0.000) 8.457 2.863 ( 3.500 -8.370 -0.000) 9.072 2.952 ( -1.419 2.486 0.000) 2.863 3.249 ( -3.780 1.469 -0.000) 4.055 3.294 ( -1.241 0.372 -0.000) 1.296 3.517 ( 2.412 -2.735 -0.000) 3.646 3.912 ( -0.012 5.100 0.000) 5.100 4.402 ( 5.434 -4.042 -0.000) 6.773 5.301 ( 5.146 -4.347 -0.000) 6.736 6.062 ( -1.646 1.354 0.000) 2.132 6.405 ( -5.585 0.855 -0.000) 5.650 6.518 ( -0.714 0.368 0.000) 0.803 6.945 ( 2.400 -11.812 -0.000) 12.054 8.215 ( 2.253 3.424 0.000) 4.099 10.738 ( -9.783 10.214 0.000) 14.143 11.539 ( -3.121 -11.600 -0.000) 12.012 12.049 ( 14.539 11.766 0.000) 18.704 12.260 ( 0.241 2.573 0.000) 2.584 12.504 ( 14.198 -8.937 -0.000) 16.776 12.864 ( -7.809 3.297 -0.000) 8.477 13.618 ( -2.761 7.027 0.000) 7.550 14.289 ( -12.976 3.115 -0.000) 13.345 14.410 ( 0.789 0.214 0.000) 0.818 14.522 ( 2.841 -4.401 -0.000) 5.238 14.951 ( 1.666 -2.631 -0.000) 3.114 15.556 ( -4.092 -5.702 -0.000) 7.019 ======================= Grid point 197 (110/123) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 6.181 0.000) 6.181 0.806 ( 0.000 13.706 0.000) 13.706 1.168 ( 0.000 13.455 0.000) 13.455 1.210 ( -0.000 -14.170 -0.000) 14.170 1.615 ( 0.000 4.019 0.000) 4.019 1.745 ( 0.000 13.206 0.000) 13.206 2.088 ( -0.000 -5.734 -0.000) 5.734 2.093 ( 0.000 5.507 0.000) 5.507 2.513 ( -0.000 -8.648 -0.000) 8.648 2.541 ( -0.000 -7.295 -0.000) 7.295 2.566 ( 0.000 6.639 0.000) 6.639 2.597 ( -0.000 -1.485 -0.000) 1.485 3.072 ( -0.000 -3.960 -0.000) 3.960 3.310 ( 0.000 0.253 0.000) 0.253 3.319 ( 0.000 3.553 0.000) 3.553 3.508 ( -0.000 -4.774 -0.000) 4.774 3.943 ( -0.000 -1.522 -0.000) 1.522 4.160 ( 0.000 2.829 0.000) 2.829 5.334 ( -0.000 -8.957 -0.000) 8.957 6.065 ( 0.000 1.982 0.000) 1.982 6.516 ( 0.000 1.248 0.000) 1.248 6.710 ( -0.000 -9.345 -0.000) 9.345 7.163 ( -0.000 -15.841 -0.000) 15.841 8.038 ( 0.000 6.798 0.000) 6.798 10.832 ( 0.000 12.997 0.000) 12.997 11.222 ( 0.000 12.489 0.000) 12.489 12.068 ( -0.000 -13.085 -0.000) 13.085 12.173 ( 0.000 5.392 0.000) 5.392 12.306 ( -0.000 -13.599 -0.000) 13.599 12.908 ( 0.000 7.640 0.000) 7.640 13.512 ( 0.000 9.396 0.000) 9.396 14.219 ( 0.000 20.068 0.000) 20.068 14.476 ( -0.000 -3.578 -0.000) 3.578 14.535 ( -0.000 -5.720 -0.000) 5.720 15.063 ( -0.000 -8.285 -0.000) 8.285 15.963 ( -0.000 -13.479 -0.000) 13.479 ======================= Grid point 206 (111/123) ======================= q-point: (-0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -0.000 0.000 -13.739) 13.739 1.355 ( 0.000 -0.000 1.569) 1.569 1.613 ( 0.000 -0.000 1.684) 1.684 1.633 ( -0.000 0.000 -9.912) 9.912 1.854 ( 0.000 -0.000 20.254) 20.254 1.874 ( 0.000 -0.000 3.062) 3.062 1.992 ( 0.000 -0.000 12.500) 12.500 2.117 ( 0.000 -0.000 7.174) 7.174 2.514 ( -0.000 0.000 -0.758) 0.758 2.694 ( 0.000 -0.000 0.950) 0.950 2.783 ( -0.000 0.000 -8.190) 8.190 2.837 ( -0.000 0.000 -4.488) 4.488 2.967 ( -0.000 0.000 -11.644) 11.644 2.997 ( -0.000 0.000 -0.616) 0.616 3.007 ( 0.000 -0.000 10.208) 10.208 3.169 ( 0.000 -0.000 6.671) 6.671 3.228 ( -0.000 0.000 -12.234) 12.234 3.712 ( -0.000 0.000 -4.609) 4.609 6.091 ( 0.000 -0.000 4.946) 4.946 6.518 ( -0.000 0.000 -0.308) 0.308 6.662 ( 0.000 -0.000 26.880) 26.880 6.766 ( 0.000 -0.000 4.755) 4.755 7.121 ( 0.000 -0.000 2.812) 2.812 7.148 ( -0.000 0.000 -24.912) 24.912 11.081 ( -0.000 0.000 -3.443) 3.443 11.209 ( -0.000 0.000 -12.721) 12.721 11.988 ( 0.000 -0.000 7.290) 7.290 12.102 ( 0.000 -0.000 8.108) 8.108 13.105 ( 0.000 -0.000 13.477) 13.477 13.344 ( -0.000 0.000 -10.176) 10.176 13.554 ( 0.000 -0.000 4.505) 4.505 14.089 ( -0.000 0.000 -12.073) 12.073 14.673 ( 0.000 -0.000 7.554) 7.554 14.683 ( 0.000 -0.000 3.257) 3.257 14.748 ( -0.000 0.000 -16.382) 16.382 14.862 ( 0.000 -0.000 5.315) 5.315 ======================= Grid point 207 (112/123) ======================= q-point: ( 0.56 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.080 0.000 -1.155) 1.158 1.314 ( 5.245 -0.000 7.313) 9.000 1.473 ( 0.660 -0.000 10.639) 10.659 1.532 ( -0.159 -0.000 18.693) 18.694 1.648 ( 6.175 -0.000 -0.977) 6.252 1.801 ( -0.088 0.000 -5.450) 5.450 1.852 ( -7.039 0.000 1.109) 7.126 2.045 ( 3.236 -0.000 5.626) 6.490 2.454 ( -4.111 0.000 -1.323) 4.319 2.545 ( -7.128 0.000 6.177) 9.433 2.781 ( 0.281 -0.000 3.383) 3.395 2.787 ( 1.045 -0.000 7.012) 7.090 2.945 ( -4.570 0.000 -4.766) 6.603 3.086 ( 0.674 0.000 -5.725) 5.764 3.150 ( -1.564 0.000 -7.595) 7.754 3.220 ( 1.384 0.000 -8.487) 8.599 3.660 ( 7.330 -0.000 -17.905) 19.347 3.837 ( 2.179 -0.000 -3.786) 4.369 6.034 ( 0.411 -0.000 0.739) 0.846 6.057 ( -0.828 -0.000 28.276) 28.288 6.489 ( 0.301 -0.000 2.880) 2.896 6.668 ( -2.384 0.000 2.441) 3.412 7.009 ( -0.945 -0.000 5.718) 5.796 7.686 ( 2.991 0.000 -21.237) 21.446 11.055 ( -7.658 0.000 -1.529) 7.809 11.381 ( -5.652 0.000 -7.758) 9.598 11.963 ( 9.837 -0.000 2.488) 10.147 12.072 ( 10.654 -0.000 4.618) 11.612 12.750 ( -1.524 -0.000 16.723) 16.792 13.323 ( -6.367 0.000 9.501) 11.437 13.549 ( 0.927 0.000 -7.457) 7.514 14.281 ( -0.775 0.000 -7.570) 7.610 14.522 ( -0.651 -0.000 4.798) 4.842 14.573 ( -8.394 0.000 0.459) 8.407 14.843 ( 2.186 -0.000 -0.925) 2.373 15.121 ( 0.452 0.000 -15.972) 15.978 ======================= Grid point 209 (113/123) ======================= q-point: (-0.56 0.69 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.536 -0.000 17.505) 17.513 1.124 ( 5.974 -0.000 12.324) 13.696 1.427 ( 7.623 -0.000 3.381) 8.340 1.429 ( -4.755 0.000 -1.819) 5.091 1.683 ( -7.731 0.000 -1.124) 7.812 1.851 ( 0.776 -0.000 -2.321) 2.448 1.913 ( 6.691 -0.000 -4.799) 8.234 1.943 ( 0.895 -0.000 5.842) 5.910 2.257 ( -5.931 0.000 5.176) 7.872 2.449 ( -3.166 0.000 -2.720) 4.174 2.683 ( 2.197 -0.000 5.380) 5.812 2.758 ( 1.400 -0.000 1.372) 1.960 2.939 ( -2.842 0.000 -3.353) 4.395 3.200 ( -2.442 0.000 -5.439) 5.962 3.251 ( -1.348 0.000 -4.411) 4.613 3.420 ( 2.178 -0.000 -6.027) 6.409 3.955 ( 2.685 -0.000 -2.690) 3.801 4.155 ( 4.750 -0.000 -13.937) 14.725 5.514 ( 1.592 -0.000 20.642) 20.703 6.052 ( -0.553 0.000 -1.419) 1.523 6.441 ( -0.457 0.000 0.997) 1.097 6.565 ( -1.704 0.000 2.904) 3.367 6.874 ( 0.796 -0.000 5.723) 5.778 8.113 ( 2.607 0.000 -12.356) 12.628 10.871 ( -9.936 0.000 0.402) 9.944 11.356 ( -5.518 0.000 -2.719) 6.151 12.248 ( 14.480 -0.000 -2.875) 14.763 12.307 ( 15.397 -0.000 0.342) 15.401 12.417 ( -0.397 -0.000 10.986) 10.994 12.972 ( -9.486 0.000 6.660) 11.591 13.668 ( -0.448 0.000 -3.003) 3.036 14.280 ( -17.969 0.000 -1.326) 18.018 14.426 ( 1.893 -0.000 -2.550) 3.176 14.458 ( 1.572 -0.000 2.173) 2.682 14.931 ( 3.020 -0.000 -1.471) 3.359 15.388 ( -0.890 0.000 -9.070) 9.114 ======================= Grid point 211 (114/123) ======================= q-point: ( 0.31 -0.31 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -1.191 0.000 -0.000) 1.191 1.148 ( 8.431 -0.000 0.000) 8.431 1.303 ( -8.093 0.000 -0.000) 8.093 1.389 ( -8.356 0.000 -0.000) 8.356 1.722 ( 9.333 -0.000 0.000) 9.333 1.859 ( -0.178 0.000 -0.000) 0.178 1.883 ( -1.031 0.000 -0.000) 1.031 2.127 ( 7.279 -0.000 0.000) 7.279 2.143 ( -1.155 0.000 -0.000) 1.155 2.405 ( -2.973 0.000 -0.000) 2.973 2.690 ( -7.451 0.000 -0.000) 7.451 2.699 ( 5.589 -0.000 0.000) 5.589 3.005 ( 3.817 -0.000 0.000) 3.817 3.186 ( -3.463 0.000 -0.000) 3.463 3.276 ( -0.738 0.000 -0.000) 0.738 3.536 ( 2.429 -0.000 0.000) 2.429 4.051 ( 3.421 -0.000 0.000) 3.421 4.321 ( -2.053 0.000 -0.000) 2.053 5.395 ( 7.241 -0.000 0.000) 7.241 6.034 ( -2.457 0.000 -0.000) 2.457 6.449 ( 2.976 -0.000 0.000) 2.976 6.502 ( -0.946 0.000 -0.000) 0.946 6.848 ( 2.779 -0.000 0.000) 2.779 8.273 ( 0.002 -0.000 0.000) 0.002 10.669 ( -8.690 0.000 -0.000) 8.690 11.282 ( -4.921 0.000 -0.000) 4.921 12.296 ( 1.147 -0.000 0.000) 1.147 12.615 ( 14.965 -0.000 0.000) 14.965 12.622 ( 13.848 -0.000 0.000) 13.848 12.688 ( -10.956 0.000 -0.000) 10.956 13.672 ( -1.311 0.000 -0.000) 1.311 13.860 ( -21.616 0.000 -0.000) 21.616 14.478 ( 2.346 -0.000 0.000) 2.346 14.521 ( 3.408 -0.000 0.000) 3.408 15.018 ( 3.832 -0.000 0.000) 3.832 15.465 ( -0.471 0.000 -0.000) 0.471 ======================= Grid point 224 (115/123) ======================= q-point: ( 0.46 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.000 2.145 15.149) 15.300 1.069 ( 0.000 2.698 6.643) 7.170 1.155 ( 0.000 -1.630 13.424) 13.522 1.414 ( 0.000 10.146 1.623) 10.275 1.618 ( -0.000 5.404 -8.463) 10.042 1.883 ( -0.000 0.743 -1.635) 1.796 1.940 ( 0.000 -5.656 0.832) 5.717 2.188 ( -0.000 -13.809 -2.838) 14.097 2.330 ( 0.000 9.940 5.234) 11.234 2.552 ( 0.000 -0.005 2.872) 2.872 2.634 ( 0.000 -2.574 4.065) 4.811 2.635 ( 0.000 -1.041 5.100) 5.206 3.021 ( -0.000 2.063 -2.447) 3.201 3.259 ( -0.000 0.857 -6.292) 6.350 3.353 ( -0.000 -0.360 -2.615) 2.640 3.354 ( -0.000 -3.670 -5.887) 6.937 3.891 ( -0.000 -0.142 -3.073) 3.077 4.016 ( -0.000 0.504 -17.809) 17.816 5.469 ( 0.000 -0.559 22.111) 22.119 6.067 ( -0.000 -0.305 -1.642) 1.670 6.504 ( -0.000 -2.299 -0.563) 2.367 6.635 ( 0.000 -2.358 3.888) 4.547 6.954 ( 0.000 -8.964 5.429) 10.480 8.007 ( -0.000 2.605 -12.191) 12.466 11.072 ( -0.000 10.704 -0.409) 10.712 11.453 ( -0.000 12.668 -2.577) 12.927 11.856 ( 0.000 -10.315 2.420) 10.595 12.027 ( 0.000 -12.719 -0.297) 12.723 12.405 ( 0.000 3.304 12.233) 12.671 13.110 ( 0.000 6.985 5.865) 9.120 13.659 ( -0.000 2.503 -0.244) 2.515 14.399 ( -0.000 -2.224 -2.019) 3.004 14.442 ( 0.000 -1.819 0.717) 1.956 14.558 ( -0.000 15.049 -2.030) 15.186 14.902 ( -0.000 -5.990 -1.328) 6.135 15.569 ( -0.000 -12.391 -11.318) 16.782 ======================= Grid point 225 (116/123) ======================= q-point: ( 0.34 -0.34 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 2.120 1.961 0.000) 2.888 0.969 ( 2.103 -10.564 -0.000) 10.772 1.102 ( 5.449 10.463 0.000) 11.797 1.395 ( -0.262 9.355 0.000) 9.359 1.742 ( 2.550 5.870 0.000) 6.400 1.879 ( -0.123 1.684 0.000) 1.689 1.993 ( 2.107 -6.038 -0.000) 6.395 2.086 ( -8.657 -11.313 -0.000) 14.245 2.257 ( -3.928 2.640 0.000) 4.732 2.458 ( 0.029 3.943 0.000) 3.943 2.548 ( -2.576 -0.585 -0.000) 2.641 2.726 ( 7.599 -5.472 -0.000) 9.364 3.017 ( -2.756 1.187 -0.000) 3.000 3.310 ( -1.382 1.135 0.000) 1.788 3.334 ( -3.033 1.242 -0.000) 3.277 3.465 ( 2.562 -2.663 -0.000) 3.695 3.918 ( -0.471 1.552 0.000) 1.622 4.296 ( 4.186 2.445 0.000) 4.848 5.217 ( 2.889 -5.438 -0.000) 6.157 6.087 ( -0.798 1.146 0.000) 1.397 6.517 ( -4.469 -3.821 -0.000) 5.880 6.530 ( -0.436 0.608 0.000) 0.748 6.904 ( 1.511 -11.662 -0.000) 11.759 8.165 ( 2.167 3.644 0.000) 4.240 10.946 ( -9.734 11.090 0.000) 14.756 11.562 ( 2.812 4.123 0.000) 4.990 11.819 ( 4.709 -2.906 -0.000) 5.534 12.214 ( 13.008 -11.856 -0.000) 17.600 12.259 ( -0.117 3.198 0.000) 3.200 12.993 ( -4.400 4.864 0.000) 6.558 13.655 ( -0.994 6.177 0.000) 6.257 14.405 ( -0.320 -1.569 -0.000) 1.601 14.468 ( 2.305 -4.360 -0.000) 4.932 14.507 ( -7.493 13.060 0.000) 15.057 14.926 ( 0.769 -5.189 -0.000) 5.246 15.647 ( -4.072 -10.819 -0.000) 11.559 ======================= Grid point 248 (117/123) ======================= q-point: ( 0.63 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 -0.000 7.034) 7.034 1.304 ( 0.000 -0.000 2.049) 2.049 1.474 ( 0.000 -0.000 4.294) 4.294 1.533 ( 0.000 -0.000 20.629) 20.629 1.576 ( 0.000 -0.000 1.700) 1.700 1.803 ( -0.000 0.000 -5.779) 5.779 1.963 ( -0.000 0.000 -2.577) 2.577 1.978 ( 0.000 -0.000 6.080) 6.080 2.498 ( 0.000 -0.000 0.966) 0.966 2.633 ( 0.000 -0.000 4.047) 4.047 2.767 ( 0.000 -0.000 9.720) 9.720 2.772 ( 0.000 -0.000 8.106) 8.106 3.024 ( -0.000 0.000 -1.554) 1.554 3.055 ( -0.000 0.000 -11.927) 11.927 3.175 ( -0.000 0.000 -8.116) 8.116 3.197 ( -0.000 0.000 -7.291) 7.291 3.578 ( -0.000 0.000 -19.765) 19.765 3.812 ( -0.000 0.000 -4.514) 4.514 6.030 ( 0.000 -0.000 0.623) 0.623 6.063 ( 0.000 -0.000 29.131) 29.131 6.487 ( 0.000 -0.000 1.884) 1.884 6.695 ( 0.000 -0.000 2.996) 2.996 7.020 ( 0.000 -0.000 6.629) 6.629 7.653 ( -0.000 0.000 -21.910) 21.910 11.147 ( -0.000 0.000 -2.772) 2.772 11.456 ( -0.000 0.000 -10.404) 10.404 11.842 ( 0.000 -0.000 6.186) 6.186 11.947 ( 0.000 -0.000 6.335) 6.335 12.767 ( 0.000 -0.000 17.152) 17.152 13.391 ( 0.000 -0.000 10.037) 10.037 13.540 ( -0.000 0.000 -8.077) 8.077 14.287 ( -0.000 0.000 -6.444) 6.444 14.529 ( 0.000 -0.000 5.897) 5.897 14.671 ( -0.000 0.000 -2.036) 2.036 14.814 ( -0.000 0.000 -0.187) 0.187 15.116 ( -0.000 0.000 -17.061) 17.061 ======================= Grid point 250 (118/123) ======================= q-point: (-0.50 0.62 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 3.700 -0.000 14.587) 15.049 1.038 ( 1.052 -0.000 16.468) 16.501 1.268 ( 5.923 -0.000 5.699) 8.220 1.509 ( -2.993 0.000 -1.810) 3.497 1.753 ( 5.361 -0.000 -8.590) 10.125 1.849 ( -4.507 0.000 0.141) 4.509 1.882 ( -0.443 0.000 -2.321) 2.363 1.941 ( -3.089 0.000 3.359) 4.563 2.400 ( -7.511 0.000 7.326) 10.493 2.499 ( -0.913 0.000 -2.557) 2.716 2.635 ( 2.965 -0.000 5.997) 6.690 2.671 ( 4.570 -0.000 5.104) 6.851 3.018 ( -3.294 0.000 -1.889) 3.797 3.252 ( -2.246 0.000 -7.504) 7.833 3.282 ( -1.624 0.000 -4.443) 4.730 3.377 ( 1.989 -0.000 -5.663) 6.002 3.908 ( 1.669 -0.000 -2.628) 3.113 4.062 ( 3.728 0.000 -18.853) 19.218 5.484 ( 1.181 -0.000 24.508) 24.536 6.059 ( -0.186 0.000 -2.569) 2.576 6.462 ( -1.085 0.000 -0.453) 1.176 6.601 ( -1.537 0.000 3.824) 4.121 6.863 ( 0.250 -0.000 6.986) 6.990 8.059 ( 2.310 0.000 -12.980) 13.184 11.077 ( -9.286 0.000 -0.583) 9.304 11.489 ( -7.497 0.000 -2.714) 7.973 11.952 ( 13.584 -0.000 -1.005) 13.622 12.001 ( 13.040 -0.000 2.080) 13.205 12.431 ( -0.694 -0.000 12.156) 12.176 13.129 ( -5.389 0.000 7.663) 9.368 13.674 ( -0.158 0.000 -4.185) 4.188 14.384 ( 1.137 -0.000 -2.611) 2.848 14.436 ( 0.662 -0.000 3.029) 3.100 14.603 ( -11.606 0.000 -2.238) 11.820 14.876 ( 2.378 -0.000 -1.624) 2.879 15.408 ( -0.902 0.000 -10.153) 10.193 ======================= Grid point 252 (119/123) ======================= q-point: (-0.63 0.62 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.360 -0.000 0.000) 0.360 0.980 ( 7.579 -0.000 0.000) 7.579 1.390 ( 8.622 -0.000 0.000) 8.622 1.449 ( -5.598 0.000 -0.000) 5.598 1.702 ( -8.487 0.000 -0.000) 8.487 1.874 ( -1.001 0.000 -0.000) 1.001 1.875 ( 1.447 -0.000 0.000) 1.447 1.990 ( 5.814 -0.000 0.000) 5.814 2.184 ( -3.390 0.000 -0.000) 3.390 2.477 ( -3.669 0.000 -0.000) 3.669 2.619 ( 2.555 -0.000 0.000) 2.555 2.738 ( 3.732 -0.000 0.000) 3.732 2.977 ( -2.065 0.000 -0.000) 2.065 3.267 ( -3.994 0.000 -0.000) 3.994 3.298 ( -1.365 0.000 -0.000) 1.365 3.486 ( 2.402 -0.000 0.000) 2.402 3.985 ( 2.867 -0.000 0.000) 2.867 4.337 ( 0.257 -0.000 0.000) 0.257 5.258 ( 5.822 -0.000 0.000) 5.822 6.075 ( -1.531 0.000 -0.000) 1.531 6.442 ( -1.695 0.000 -0.000) 1.695 6.521 ( -0.864 0.000 -0.000) 0.864 6.801 ( 1.749 -0.000 0.000) 1.749 8.249 ( 2.093 -0.000 0.000) 2.093 10.866 ( -10.322 0.000 -0.000) 10.322 11.385 ( -5.321 0.000 -0.000) 5.321 12.286 ( -0.049 0.000 -0.000) 0.049 12.290 ( 16.021 -0.000 0.000) 16.021 12.304 ( 16.317 -0.000 0.000) 16.317 12.896 ( -8.886 0.000 -0.000) 8.886 13.700 ( -1.227 0.000 -0.000) 1.227 14.294 ( -19.516 0.000 -0.000) 19.516 14.434 ( 1.894 -0.000 0.000) 1.894 14.456 ( 2.816 -0.000 0.000) 2.816 14.948 ( 2.922 -0.000 0.000) 2.922 15.487 ( -1.535 0.000 -0.000) 1.535 ======================= Grid point 267 (120/123) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.000 2.025 0.000) 2.025 0.949 ( -0.000 -11.585 -0.000) 11.585 1.038 ( 0.000 9.491 0.000) 9.491 1.400 ( 0.000 10.718 0.000) 10.718 1.714 ( 0.000 6.059 0.000) 6.059 1.880 ( 0.000 2.651 0.000) 2.651 1.971 ( -0.000 -6.373 -0.000) 6.373 2.222 ( -0.000 -14.853 -0.000) 14.853 2.247 ( 0.000 9.441 0.000) 9.441 2.521 ( -0.000 -0.359 -0.000) 0.359 2.576 ( -0.000 -0.748 -0.000) 0.748 2.594 ( -0.000 -4.027 -0.000) 4.027 3.047 ( 0.000 1.099 0.000) 1.099 3.323 ( 0.000 1.196 0.000) 1.196 3.383 ( 0.000 2.723 0.000) 2.723 3.423 ( -0.000 -3.924 -0.000) 3.924 3.924 ( -0.000 -0.545 -0.000) 0.545 4.250 ( 0.000 5.462 0.000) 5.462 5.187 ( -0.000 -5.846 -0.000) 5.846 6.095 ( 0.000 1.059 0.000) 1.059 6.535 ( 0.000 0.694 0.000) 0.694 6.567 ( -0.000 -5.265 -0.000) 5.265 6.887 ( -0.000 -11.545 -0.000) 11.545 8.140 ( 0.000 3.655 0.000) 3.655 11.076 ( 0.000 11.538 0.000) 11.538 11.478 ( 0.000 13.818 0.000) 13.818 11.831 ( -0.000 -11.012 -0.000) 11.012 12.039 ( -0.000 -13.998 -0.000) 13.998 12.261 ( 0.000 3.462 0.000) 3.462 13.039 ( 0.000 5.398 0.000) 5.398 13.664 ( 0.000 6.016 0.000) 6.016 14.417 ( -0.000 -2.369 -0.000) 2.369 14.435 ( -0.000 -4.207 -0.000) 4.207 14.585 ( 0.000 16.826 0.000) 16.826 14.918 ( -0.000 -6.044 -0.000) 6.044 15.694 ( -0.000 -13.386 -0.000) 13.386 ======================= Grid point 292 (121/123) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.000 -0.000 15.434) 15.434 1.024 ( 0.000 -0.000 15.160) 15.160 1.206 ( 0.000 -0.000 7.597) 7.597 1.546 ( 0.000 -0.000 1.049) 1.049 1.689 ( -0.000 0.000 -12.298) 12.298 1.868 ( 0.000 -0.000 4.004) 4.004 1.888 ( -0.000 0.000 -2.341) 2.341 2.017 ( -0.000 0.000 -2.173) 2.173 2.490 ( -0.000 0.000 -0.055) 0.055 2.536 ( 0.000 -0.000 10.776) 10.776 2.552 ( 0.000 -0.000 3.107) 3.107 2.626 ( 0.000 -0.000 5.177) 5.177 3.054 ( -0.000 0.000 -1.088) 1.088 3.278 ( -0.000 0.000 -8.026) 8.026 3.307 ( -0.000 0.000 -4.257) 4.257 3.348 ( -0.000 0.000 -5.731) 5.731 3.890 ( -0.000 0.000 -2.692) 2.692 4.021 ( -0.000 0.000 -20.861) 20.861 5.471 ( 0.000 -0.000 25.634) 25.634 6.060 ( -0.000 0.000 -2.946) 2.946 6.474 ( -0.000 0.000 -0.936) 0.936 6.619 ( 0.000 -0.000 4.196) 4.196 6.861 ( 0.000 -0.000 7.446) 7.446 8.032 ( -0.000 0.000 -13.122) 13.122 11.194 ( -0.000 0.000 -1.594) 1.594 11.636 ( -0.000 0.000 -6.388) 6.388 11.739 ( 0.000 -0.000 3.459) 3.459 11.843 ( 0.000 -0.000 3.359) 3.359 12.439 ( 0.000 -0.000 12.508) 12.508 13.186 ( 0.000 -0.000 8.055) 8.055 13.676 ( -0.000 0.000 -4.604) 4.604 14.371 ( -0.000 0.000 -2.138) 2.138 14.429 ( 0.000 -0.000 3.440) 3.440 14.739 ( -0.000 0.000 -3.340) 3.340 14.838 ( -0.000 0.000 -1.427) 1.427 15.418 ( -0.000 0.000 -10.582) 10.582 ======================= Grid point 294 (122/123) ======================= q-point: (-0.56 0.56 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.550 -0.000 0.000) 0.550 0.849 ( 4.736 -0.000 0.000) 4.736 1.211 ( 7.014 -0.000 0.000) 7.014 1.521 ( -1.610 0.000 -0.000) 1.610 1.840 ( 1.525 -0.000 0.000) 1.525 1.893 ( -0.695 0.000 -0.000) 0.695 1.895 ( 3.258 -0.000 0.000) 3.258 1.912 ( -10.097 0.000 -0.000) 10.097 2.293 ( -6.629 0.000 -0.000) 6.629 2.543 ( -2.415 0.000 -0.000) 2.415 2.569 ( 2.767 -0.000 0.000) 2.767 2.600 ( 7.889 -0.000 0.000) 7.889 3.038 ( -2.613 0.000 -0.000) 2.613 3.330 ( -1.597 0.000 -0.000) 1.597 3.338 ( -2.622 0.000 -0.000) 2.622 3.439 ( 2.074 -0.000 0.000) 2.074 3.937 ( 1.679 -0.000 0.000) 1.679 4.323 ( 0.805 -0.000 0.000) 0.805 5.162 ( 3.298 -0.000 0.000) 3.298 6.098 ( -0.716 0.000 -0.000) 0.716 6.490 ( -2.225 0.000 -0.000) 2.225 6.536 ( -0.520 0.000 -0.000) 0.520 6.775 ( 0.813 -0.000 0.000) 0.813 8.200 ( 2.157 -0.000 0.000) 2.157 11.082 ( -9.959 0.000 -0.000) 9.959 11.514 ( -7.519 0.000 -0.000) 7.519 11.971 ( 14.484 -0.000 0.000) 14.484 11.980 ( 13.984 -0.000 0.000) 13.984 12.292 ( -0.346 0.000 -0.000) 0.346 13.042 ( -4.979 0.000 -0.000) 4.979 13.720 ( -0.617 0.000 -0.000) 0.617 14.403 ( 1.051 -0.000 0.000) 1.051 14.409 ( 1.598 -0.000 0.000) 1.598 14.631 ( -12.422 0.000 -0.000) 12.422 14.895 ( 2.288 -0.000 0.000) 2.288 15.519 ( -1.324 0.000 -0.000) 1.324 ======================= Grid point 336 (123/123) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -0.000 0.000 0.000) 0.000 0.825 ( -0.000 0.000 0.000) 0.000 1.135 ( -0.000 0.000 0.000) 0.000 1.534 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.860 ( -0.000 0.000 0.000) 0.000 1.900 ( -0.000 0.000 0.000) 0.000 2.042 ( -0.000 0.000 0.000) 0.000 2.393 ( -0.000 0.000 0.000) 0.000 2.492 ( -0.000 0.000 0.000) 0.000 2.517 ( -0.000 0.000 0.000) 0.000 2.569 ( -0.000 0.000 0.000) 0.000 3.066 ( -0.000 0.000 0.000) 0.000 3.352 ( -0.000 0.000 -0.000) 0.000 3.366 ( -0.000 0.000 0.000) 0.000 3.412 ( -0.000 0.000 0.000) 0.000 3.919 ( -0.000 0.000 0.000) 0.000 4.314 ( -0.000 0.000 0.000) 0.000 5.127 ( -0.000 0.000 -0.000) 0.000 6.105 ( -0.000 0.000 0.000) 0.000 6.515 ( -0.000 0.000 0.000) 0.000 6.541 ( -0.000 0.000 0.000) 0.000 6.767 ( -0.000 0.000 0.000) 0.000 8.176 ( -0.000 0.000 0.000) 0.000 11.211 ( -0.000 0.000 0.000) 0.000 11.701 ( -0.000 0.000 0.000) 0.000 11.709 ( 0.000 0.000 0.000) 0.000 11.808 ( -0.000 0.000 0.000) 0.000 12.296 ( -0.000 0.000 0.000) 0.000 13.094 ( -0.000 0.000 -0.000) 0.000 13.726 ( -0.000 0.000 0.000) 0.000 14.392 ( -0.000 0.000 0.000) 0.000 14.393 ( -0.000 0.000 -0.000) 0.000 14.779 ( -0.000 0.000 0.000) 0.000 14.855 ( -0.000 0.000 0.000) 0.000 15.534 ( -0.000 0.000 0.000) 0.000 =================== 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 3/23040 10.0 155.801 186.032 156.885 0.000 0.000 0.000 3/23040 20.0 34.286 44.983 60.165 0.000 0.000 0.000 3/23040 30.0 17.139 23.139 34.398 0.000 0.000 0.000 3/23040 40.0 11.418 15.525 24.239 0.000 0.000 0.000 3/23040 50.0 8.634 11.791 19.006 0.000 0.000 0.000 3/23040 60.0 6.978 9.566 15.786 0.000 0.000 0.000 3/23040 70.0 5.871 8.072 13.560 0.000 0.000 0.000 3/23040 80.0 5.071 6.987 11.898 0.000 0.000 0.000 3/23040 90.0 4.463 6.156 10.594 0.000 0.000 0.000 3/23040 100.0 3.984 5.498 9.538 0.000 0.000 0.000 3/23040 110.0 3.596 4.961 8.664 0.000 0.000 0.000 3/23040 120.0 3.276 4.516 7.928 0.000 0.000 0.000 3/23040 130.0 3.006 4.141 7.302 0.000 0.000 0.000 3/23040 140.0 2.777 3.822 6.763 0.000 0.000 0.000 3/23040 150.0 2.580 3.547 6.295 0.000 0.000 0.000 3/23040 160.0 2.408 3.308 5.886 0.000 0.000 0.000 3/23040 170.0 2.258 3.098 5.525 0.000 0.000 0.000 3/23040 180.0 2.126 2.914 5.206 0.000 0.000 0.000 3/23040 190.0 2.008 2.749 4.920 0.000 0.000 0.000 3/23040 200.0 1.902 2.603 4.665 0.000 0.000 0.000 3/23040 210.0 1.807 2.471 4.434 0.000 0.000 0.000 3/23040 220.0 1.721 2.352 4.225 0.000 0.000 0.000 3/23040 230.0 1.643 2.244 4.034 0.000 0.000 0.000 3/23040 240.0 1.572 2.145 3.860 0.000 0.000 0.000 3/23040 250.0 1.507 2.055 3.701 0.000 0.000 0.000 3/23040 260.0 1.447 1.972 3.554 0.000 0.000 0.000 3/23040 270.0 1.391 1.896 3.418 0.000 0.000 0.000 3/23040 280.0 1.340 1.825 3.293 0.000 0.000 0.000 3/23040 290.0 1.292 1.759 3.176 0.000 0.000 0.000 3/23040 300.0 1.248 1.699 3.068 0.000 0.000 0.000 3/23040 310.0 1.207 1.642 2.966 0.000 0.000 0.000 3/23040 320.0 1.168 1.589 2.871 0.000 0.000 0.000 3/23040 330.0 1.132 1.539 2.782 0.000 0.000 0.000 3/23040 340.0 1.098 1.492 2.699 0.000 0.000 0.000 3/23040 350.0 1.066 1.448 2.620 0.000 0.000 0.000 3/23040 360.0 1.035 1.407 2.546 0.000 0.000 0.000 3/23040 370.0 1.007 1.368 2.476 0.000 0.000 0.000 3/23040 380.0 0.980 1.331 2.410 0.000 0.000 0.000 3/23040 390.0 0.954 1.296 2.347 0.000 0.000 0.000 3/23040 400.0 0.930 1.263 2.287 0.000 0.000 0.000 3/23040 410.0 0.907 1.231 2.231 0.000 0.000 0.000 3/23040 420.0 0.885 1.202 2.177 0.000 0.000 0.000 3/23040 430.0 0.864 1.173 2.126 0.000 0.000 0.000 3/23040 440.0 0.844 1.146 2.077 0.000 0.000 0.000 3/23040 450.0 0.825 1.120 2.030 0.000 0.000 0.000 3/23040 460.0 0.807 1.095 1.985 0.000 0.000 0.000 3/23040 470.0 0.790 1.071 1.943 0.000 0.000 0.000 3/23040 480.0 0.773 1.049 1.902 0.000 0.000 0.000 3/23040 490.0 0.757 1.027 1.862 0.000 0.000 0.000 3/23040 500.0 0.742 1.006 1.825 0.000 0.000 0.000 3/23040 510.0 0.727 0.986 1.789 0.000 0.000 0.000 3/23040 520.0 0.713 0.967 1.754 0.000 0.000 0.000 3/23040 530.0 0.699 0.948 1.721 0.000 0.000 0.000 3/23040 540.0 0.686 0.931 1.688 0.000 0.000 0.000 3/23040 550.0 0.674 0.914 1.657 0.000 0.000 0.000 3/23040 560.0 0.662 0.897 1.628 0.000 0.000 0.000 3/23040 570.0 0.650 0.881 1.599 0.000 0.000 0.000 3/23040 580.0 0.639 0.866 1.571 0.000 0.000 0.000 3/23040 590.0 0.628 0.851 1.544 0.000 0.000 0.000 3/23040 600.0 0.617 0.837 1.518 0.000 0.000 0.000 3/23040 610.0 0.607 0.823 1.493 0.000 0.000 0.000 3/23040 620.0 0.597 0.809 1.469 0.000 0.000 0.000 3/23040 630.0 0.588 0.796 1.446 0.000 0.000 0.000 3/23040 640.0 0.578 0.784 1.423 0.000 0.000 0.000 3/23040 650.0 0.569 0.772 1.401 0.000 0.000 0.000 3/23040 660.0 0.561 0.760 1.380 0.000 0.000 0.000 3/23040 670.0 0.552 0.748 1.359 0.000 0.000 0.000 3/23040 680.0 0.544 0.737 1.339 0.000 0.000 0.000 3/23040 690.0 0.536 0.727 1.319 0.000 0.000 0.000 3/23040 700.0 0.529 0.716 1.300 0.000 0.000 0.000 3/23040 710.0 0.521 0.706 1.282 0.000 0.000 0.000 3/23040 720.0 0.514 0.696 1.264 0.000 0.000 0.000 3/23040 730.0 0.507 0.687 1.247 0.000 0.000 0.000 3/23040 740.0 0.500 0.677 1.230 0.000 0.000 0.000 3/23040 750.0 0.493 0.668 1.213 0.000 0.000 0.000 3/23040 760.0 0.487 0.659 1.197 0.000 0.000 0.000 3/23040 770.0 0.480 0.651 1.182 0.000 0.000 0.000 3/23040 780.0 0.474 0.642 1.166 0.000 0.000 0.000 3/23040 790.0 0.468 0.634 1.152 0.000 0.000 0.000 3/23040 800.0 0.462 0.626 1.137 0.000 0.000 0.000 3/23040 810.0 0.457 0.618 1.123 0.000 0.000 0.000 3/23040 820.0 0.451 0.611 1.109 0.000 0.000 0.000 3/23040 830.0 0.445 0.603 1.096 0.000 0.000 0.000 3/23040 840.0 0.440 0.596 1.083 0.000 0.000 0.000 3/23040 850.0 0.435 0.589 1.070 0.000 0.000 0.000 3/23040 860.0 0.430 0.582 1.058 0.000 0.000 0.000 3/23040 870.0 0.425 0.576 1.045 0.000 0.000 0.000 3/23040 880.0 0.420 0.569 1.034 0.000 0.000 0.000 3/23040 890.0 0.415 0.563 1.022 0.000 0.000 0.000 3/23040 900.0 0.411 0.556 1.010 0.000 0.000 0.000 3/23040 910.0 0.406 0.550 0.999 0.000 0.000 0.000 3/23040 920.0 0.402 0.544 0.988 0.000 0.000 0.000 3/23040 930.0 0.397 0.538 0.978 0.000 0.000 0.000 3/23040 940.0 0.393 0.532 0.967 0.000 0.000 0.000 3/23040 950.0 0.389 0.527 0.957 0.000 0.000 0.000 3/23040 960.0 0.385 0.521 0.947 0.000 0.000 0.000 3/23040 970.0 0.381 0.516 0.937 0.000 0.000 0.000 3/23040 980.0 0.377 0.511 0.928 0.000 0.000 0.000 3/23040 990.0 0.373 0.506 0.918 0.000 0.000 0.000 3/23040 1000.0 0.370 0.500 0.909 0.000 0.000 0.000 3/23040 Thermal conductivity related properties were written into "kappa-m1880.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:15:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|