----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:12:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_32_12 (96) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.045039590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.045039590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.036913330000000 Atomic positions (fractional): *1 O 0.59895369395676 0.74016667479686 0.67667772005779 15.999 2 O 0.40104630604324 0.25983332520314 0.17667772005779 15.999 3 O 0.74016667479686 0.59895369395676 0.32332227994221 15.999 4 O 0.24016667479686 0.90104630604324 0.92667772005779 15.999 5 O 0.25983332520314 0.40104630604324 0.82332227994221 15.999 6 O 0.09895369395676 0.75983332520314 0.57332227994221 15.999 7 O 0.90104630604324 0.24016667479686 0.07332227994221 15.999 8 O 0.75983332520314 0.09895369395676 0.42667772005779 15.999 *9 Si 0.20312652467902 0.20312652467902 0.00000000000000 28.085 10 Si 0.29687347532098 0.70312652467902 0.75000000000000 28.085 11 Si 0.70312652467902 0.29687347532098 0.25000000000000 28.085 12 Si 0.79687347532098 0.79687347532098 0.50000000000000 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.045039590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.045039590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.036913330000000 Atomic positions (fractional): *1 O 0.59895369395676 0.74016667479686 0.67667772005779 15.999 > 1 2 O 0.40104630604324 0.25983332520314 0.17667772005779 15.999 > 2 3 O 0.74016667479686 0.59895369395676 0.32332227994221 15.999 > 3 4 O 0.24016667479686 0.90104630604324 0.92667772005779 15.999 > 4 5 O 0.25983332520314 0.40104630604324 0.82332227994221 15.999 > 5 6 O 0.09895369395676 0.75983332520314 0.57332227994221 15.999 > 6 7 O 0.90104630604324 0.24016667479686 0.07332227994221 15.999 > 7 8 O 0.75983332520314 0.09895369395676 0.42667772005779 15.999 > 8 *9 Si 0.20312652467902 0.20312652467902 0.00000000000000 28.085 > 9 10 Si 0.29687347532098 0.70312652467902 0.75000000000000 28.085 > 10 11 Si 0.70312652467902 0.29687347532098 0.25000000000000 28.085 > 11 12 Si 0.79687347532098 0.79687347532098 0.50000000000000 28.085 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.090079180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.090079180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.073826660000000 Atomic positions (fractional): *1 O 0.29947684697838 0.37008333739843 0.33833886002890 15.999 > 1 2 O 0.79947684697838 0.37008333739843 0.33833886002890 15.999 > 1 3 O 0.29947684697838 0.87008333739843 0.33833886002890 15.999 > 1 4 O 0.79947684697838 0.87008333739843 0.33833886002890 15.999 > 1 5 O 0.29947684697838 0.37008333739843 0.83833886002890 15.999 > 1 6 O 0.79947684697838 0.37008333739843 0.83833886002890 15.999 > 1 7 O 0.29947684697838 0.87008333739843 0.83833886002890 15.999 > 1 8 O 0.79947684697838 0.87008333739843 0.83833886002890 15.999 > 1 9 O 0.20052315302162 0.12991666260157 0.08833886002890 15.999 > 2 10 O 0.70052315302162 0.12991666260157 0.08833886002890 15.999 > 2 11 O 0.20052315302162 0.62991666260157 0.08833886002890 15.999 > 2 12 O 0.70052315302162 0.62991666260157 0.08833886002890 15.999 > 2 13 O 0.20052315302162 0.12991666260157 0.58833886002890 15.999 > 2 14 O 0.70052315302162 0.12991666260157 0.58833886002890 15.999 > 2 15 O 0.20052315302162 0.62991666260157 0.58833886002890 15.999 > 2 16 O 0.70052315302162 0.62991666260157 0.58833886002890 15.999 > 2 17 O 0.37008333739843 0.29947684697838 0.16166113997110 15.999 > 3 18 O 0.87008333739843 0.29947684697838 0.16166113997110 15.999 > 3 19 O 0.37008333739843 0.79947684697838 0.16166113997110 15.999 > 3 20 O 0.87008333739843 0.79947684697838 0.16166113997110 15.999 > 3 21 O 0.37008333739843 0.29947684697838 0.66166113997110 15.999 > 3 22 O 0.87008333739843 0.29947684697838 0.66166113997110 15.999 > 3 23 O 0.37008333739843 0.79947684697838 0.66166113997110 15.999 > 3 24 O 0.87008333739843 0.79947684697838 0.66166113997110 15.999 > 3 25 O 0.12008333739843 0.45052315302162 0.46333886002890 15.999 > 4 26 O 0.62008333739843 0.45052315302162 0.46333886002890 15.999 > 4 27 O 0.12008333739843 0.95052315302162 0.46333886002890 15.999 > 4 28 O 0.62008333739843 0.95052315302162 0.46333886002890 15.999 > 4 29 O 0.12008333739843 0.45052315302162 0.96333886002890 15.999 > 4 30 O 0.62008333739843 0.45052315302162 0.96333886002890 15.999 > 4 31 O 0.12008333739843 0.95052315302162 0.96333886002890 15.999 > 4 32 O 0.62008333739843 0.95052315302162 0.96333886002890 15.999 > 4 33 O 0.12991666260157 0.20052315302162 0.41166113997110 15.999 > 5 34 O 0.62991666260157 0.20052315302162 0.41166113997110 15.999 > 5 35 O 0.12991666260157 0.70052315302162 0.41166113997110 15.999 > 5 36 O 0.62991666260157 0.70052315302162 0.41166113997110 15.999 > 5 37 O 0.12991666260157 0.20052315302162 0.91166113997110 15.999 > 5 38 O 0.62991666260157 0.20052315302162 0.91166113997110 15.999 > 5 39 O 0.12991666260157 0.70052315302162 0.91166113997110 15.999 > 5 40 O 0.62991666260157 0.70052315302162 0.91166113997110 15.999 > 5 41 O 0.04947684697838 0.37991666260157 0.28666113997110 15.999 > 6 42 O 0.54947684697838 0.37991666260157 0.28666113997110 15.999 > 6 43 O 0.04947684697838 0.87991666260157 0.28666113997110 15.999 > 6 44 O 0.54947684697838 0.87991666260157 0.28666113997110 15.999 > 6 45 O 0.04947684697838 0.37991666260157 0.78666113997110 15.999 > 6 46 O 0.54947684697838 0.37991666260157 0.78666113997110 15.999 > 6 47 O 0.04947684697838 0.87991666260157 0.78666113997110 15.999 > 6 48 O 0.54947684697838 0.87991666260157 0.78666113997110 15.999 > 6 49 O 0.45052315302162 0.12008333739843 0.03666113997110 15.999 > 7 50 O 0.95052315302162 0.12008333739843 0.03666113997110 15.999 > 7 51 O 0.45052315302162 0.62008333739843 0.03666113997110 15.999 > 7 52 O 0.95052315302162 0.62008333739843 0.03666113997110 15.999 > 7 53 O 0.45052315302162 0.12008333739843 0.53666113997110 15.999 > 7 54 O 0.95052315302162 0.12008333739843 0.53666113997110 15.999 > 7 55 O 0.45052315302162 0.62008333739843 0.53666113997110 15.999 > 7 56 O 0.95052315302162 0.62008333739843 0.53666113997110 15.999 > 7 57 O 0.37991666260157 0.04947684697838 0.21333886002890 15.999 > 8 58 O 0.87991666260157 0.04947684697838 0.21333886002890 15.999 > 8 59 O 0.37991666260157 0.54947684697838 0.21333886002890 15.999 > 8 60 O 0.87991666260157 0.54947684697838 0.21333886002890 15.999 > 8 61 O 0.37991666260157 0.04947684697838 0.71333886002890 15.999 > 8 62 O 0.87991666260157 0.04947684697838 0.71333886002890 15.999 > 8 63 O 0.37991666260157 0.54947684697838 0.71333886002890 15.999 > 8 64 O 0.87991666260157 0.54947684697838 0.71333886002890 15.999 > 8 *65 Si 0.10156326233951 0.10156326233951 0.00000000000000 28.085 > 9 66 Si 0.60156326233951 0.10156326233951 0.00000000000000 28.085 > 9 67 Si 0.10156326233951 0.60156326233951 0.00000000000000 28.085 > 9 68 Si 0.60156326233951 0.60156326233951 0.00000000000000 28.085 > 9 69 Si 0.10156326233951 0.10156326233951 0.50000000000000 28.085 > 9 70 Si 0.60156326233951 0.10156326233951 0.50000000000000 28.085 > 9 71 Si 0.10156326233951 0.60156326233951 0.50000000000000 28.085 > 9 72 Si 0.60156326233951 0.60156326233951 0.50000000000000 28.085 > 9 73 Si 0.14843673766049 0.35156326233951 0.37500000000000 28.085 > 10 74 Si 0.64843673766049 0.35156326233951 0.37500000000000 28.085 > 10 75 Si 0.14843673766049 0.85156326233951 0.37500000000000 28.085 > 10 76 Si 0.64843673766049 0.85156326233951 0.37500000000000 28.085 > 10 77 Si 0.14843673766049 0.35156326233951 0.87500000000000 28.085 > 10 78 Si 0.64843673766049 0.35156326233951 0.87500000000000 28.085 > 10 79 Si 0.14843673766049 0.85156326233951 0.87500000000000 28.085 > 10 80 Si 0.64843673766049 0.85156326233951 0.87500000000000 28.085 > 10 81 Si 0.35156326233951 0.14843673766049 0.12500000000000 28.085 > 11 82 Si 0.85156326233951 0.14843673766049 0.12500000000000 28.085 > 11 83 Si 0.35156326233951 0.64843673766049 0.12500000000000 28.085 > 11 84 Si 0.85156326233951 0.64843673766049 0.12500000000000 28.085 > 11 85 Si 0.35156326233951 0.14843673766049 0.62500000000000 28.085 > 11 86 Si 0.85156326233951 0.14843673766049 0.62500000000000 28.085 > 11 87 Si 0.35156326233951 0.64843673766049 0.62500000000000 28.085 > 11 88 Si 0.85156326233951 0.64843673766049 0.62500000000000 28.085 > 11 89 Si 0.39843673766049 0.39843673766049 0.25000000000000 28.085 > 12 90 Si 0.89843673766049 0.39843673766049 0.25000000000000 28.085 > 12 91 Si 0.39843673766049 0.89843673766049 0.25000000000000 28.085 > 12 92 Si 0.89843673766049 0.89843673766049 0.25000000000000 28.085 > 12 93 Si 0.39843673766049 0.39843673766049 0.75000000000000 28.085 > 12 94 Si 0.89843673766049 0.39843673766049 0.75000000000000 28.085 > 12 95 Si 0.39843673766049 0.89843673766049 0.75000000000000 28.085 > 12 96 Si 0.89843673766049 0.89843673766049 0.75000000000000 28.085 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2570707 0.0000000 0.0000000 0.0000000 2.2570707 0.0000000 0.0000000 0.0000000 2.2456445 -------------------------- Born effective charges -------------------------- 1 O -2.3049678 -0.2066537 0.8325257 -0.1462613 -1.0302256 0.0603485 0.8307362 0.1988101 -1.6460415 2 O -2.3049678 -0.2066537 -0.8325257 -0.1462613 -1.0302256 -0.0603485 -0.8307362 -0.1988101 -1.6460415 3 O -1.0302256 -0.1462613 -0.0603485 -0.2066537 -2.3049678 -0.8325257 -0.1988101 -0.8307362 -1.6460415 4 O -1.0302256 0.1462613 0.0603485 0.2066537 -2.3049678 -0.8325257 0.1988101 -0.8307362 -1.6460415 5 O -1.0302256 -0.1462613 0.0603485 -0.2066537 -2.3049678 0.8325257 0.1988101 0.8307362 -1.6460415 6 O -2.3049678 0.2066537 -0.8325257 0.1462613 -1.0302256 0.0603485 -0.8307362 0.1988101 -1.6460415 7 O -2.3049678 0.2066537 0.8325257 0.1462613 -1.0302256 -0.0603485 0.8307362 -0.1988101 -1.6460415 8 O -1.0302256 0.1462613 -0.0603485 0.2066537 -2.3049678 0.8325257 -0.1988101 0.8307362 -1.6460415 9 Si 3.3351934 0.0215223 0.1939053 0.0215223 3.3351934 -0.1939053 -0.3386872 0.3386872 3.2920830 10 Si 3.3351934 -0.0215223 0.1939053 -0.0215223 3.3351934 0.1939053 -0.3386872 -0.3386872 3.2920830 11 Si 3.3351934 -0.0215223 -0.1939053 -0.0215223 3.3351934 -0.1939053 0.3386872 0.3386872 3.2920830 12 Si 3.3351934 0.0215223 -0.1939053 0.0215223 3.3351934 0.1939053 0.3386872 -0.3386872 3.2920830 ---------------------------------------------------------------------------- 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: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 685 Number of blocks in projector: 685 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 85 Use standard eigh solver. Tree of FC basis block matrices: - (685, 671), data: False |-- (85, 83), data: True |-- (156, 153), data: True |-- (156, 153), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.546 Solver_block: 200 / 240 - Time: 0.547 Solver_block: 240 / 240 - Time: 0.273 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.381 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 685 Number of blocks in projector: 685 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 85 Use standard eigh solver. Tree of FC basis block matrices: - (685, 671), data: False |-- (85, 83), data: True |-- (156, 153), data: True |-- (156, 153), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:12:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:12:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_32_12 (96) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.045039590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.045039590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.036913330000000 Atomic positions (fractional): 1 O 0.59895369395676 0.74016667479686 0.67667772005779 15.999 2 O 0.40104630604324 0.25983332520314 0.17667772005779 15.999 3 O 0.74016667479686 0.59895369395676 0.32332227994221 15.999 4 O 0.24016667479686 0.90104630604324 0.92667772005779 15.999 5 O 0.25983332520314 0.40104630604324 0.82332227994221 15.999 6 O 0.09895369395676 0.75983332520314 0.57332227994221 15.999 7 O 0.90104630604324 0.24016667479686 0.07332227994221 15.999 8 O 0.75983332520314 0.09895369395676 0.42667772005779 15.999 9 Si 0.20312652467902 0.20312652467902 0.00000000000000 28.085 10 Si 0.29687347532098 0.70312652467902 0.75000000000000 28.085 11 Si 0.70312652467902 0.29687347532098 0.25000000000000 28.085 12 Si 0.79687347532098 0.79687347532098 0.50000000000000 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.090079180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.090079180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.073826660000000 Atomic positions (fractional): 1 O 0.29947684697838 0.37008333739843 0.33833886002890 15.999 > 1 2 O 0.79947684697838 0.37008333739843 0.33833886002890 15.999 > 1 3 O 0.29947684697838 0.87008333739843 0.33833886002890 15.999 > 1 4 O 0.79947684697838 0.87008333739843 0.33833886002890 15.999 > 1 5 O 0.29947684697838 0.37008333739843 0.83833886002890 15.999 > 1 6 O 0.79947684697838 0.37008333739843 0.83833886002890 15.999 > 1 7 O 0.29947684697838 0.87008333739843 0.83833886002890 15.999 > 1 8 O 0.79947684697838 0.87008333739843 0.83833886002890 15.999 > 1 9 O 0.20052315302162 0.12991666260157 0.08833886002890 15.999 > 9 10 O 0.70052315302162 0.12991666260157 0.08833886002890 15.999 > 9 11 O 0.20052315302162 0.62991666260157 0.08833886002890 15.999 > 9 12 O 0.70052315302162 0.62991666260157 0.08833886002890 15.999 > 9 13 O 0.20052315302162 0.12991666260157 0.58833886002890 15.999 > 9 14 O 0.70052315302162 0.12991666260157 0.58833886002890 15.999 > 9 15 O 0.20052315302162 0.62991666260157 0.58833886002890 15.999 > 9 16 O 0.70052315302162 0.62991666260157 0.58833886002890 15.999 > 9 17 O 0.37008333739843 0.29947684697838 0.16166113997110 15.999 > 17 18 O 0.87008333739843 0.29947684697838 0.16166113997110 15.999 > 17 19 O 0.37008333739843 0.79947684697838 0.16166113997110 15.999 > 17 20 O 0.87008333739843 0.79947684697838 0.16166113997110 15.999 > 17 21 O 0.37008333739843 0.29947684697838 0.66166113997110 15.999 > 17 22 O 0.87008333739843 0.29947684697838 0.66166113997110 15.999 > 17 23 O 0.37008333739843 0.79947684697838 0.66166113997110 15.999 > 17 24 O 0.87008333739843 0.79947684697838 0.66166113997110 15.999 > 17 25 O 0.12008333739843 0.45052315302162 0.46333886002890 15.999 > 25 26 O 0.62008333739843 0.45052315302162 0.46333886002890 15.999 > 25 27 O 0.12008333739843 0.95052315302162 0.46333886002890 15.999 > 25 28 O 0.62008333739843 0.95052315302162 0.46333886002890 15.999 > 25 29 O 0.12008333739843 0.45052315302162 0.96333886002890 15.999 > 25 30 O 0.62008333739843 0.45052315302162 0.96333886002890 15.999 > 25 31 O 0.12008333739843 0.95052315302162 0.96333886002890 15.999 > 25 32 O 0.62008333739843 0.95052315302162 0.96333886002890 15.999 > 25 33 O 0.12991666260157 0.20052315302162 0.41166113997110 15.999 > 33 34 O 0.62991666260157 0.20052315302162 0.41166113997110 15.999 > 33 35 O 0.12991666260157 0.70052315302162 0.41166113997110 15.999 > 33 36 O 0.62991666260157 0.70052315302162 0.41166113997110 15.999 > 33 37 O 0.12991666260157 0.20052315302162 0.91166113997110 15.999 > 33 38 O 0.62991666260157 0.20052315302162 0.91166113997110 15.999 > 33 39 O 0.12991666260157 0.70052315302162 0.91166113997110 15.999 > 33 40 O 0.62991666260157 0.70052315302162 0.91166113997110 15.999 > 33 41 O 0.04947684697838 0.37991666260157 0.28666113997110 15.999 > 41 42 O 0.54947684697838 0.37991666260157 0.28666113997110 15.999 > 41 43 O 0.04947684697838 0.87991666260157 0.28666113997110 15.999 > 41 44 O 0.54947684697838 0.87991666260157 0.28666113997110 15.999 > 41 45 O 0.04947684697838 0.37991666260157 0.78666113997110 15.999 > 41 46 O 0.54947684697838 0.37991666260157 0.78666113997110 15.999 > 41 47 O 0.04947684697838 0.87991666260157 0.78666113997110 15.999 > 41 48 O 0.54947684697838 0.87991666260157 0.78666113997110 15.999 > 41 49 O 0.45052315302162 0.12008333739843 0.03666113997110 15.999 > 49 50 O 0.95052315302162 0.12008333739843 0.03666113997110 15.999 > 49 51 O 0.45052315302162 0.62008333739843 0.03666113997110 15.999 > 49 52 O 0.95052315302162 0.62008333739843 0.03666113997110 15.999 > 49 53 O 0.45052315302162 0.12008333739843 0.53666113997110 15.999 > 49 54 O 0.95052315302162 0.12008333739843 0.53666113997110 15.999 > 49 55 O 0.45052315302162 0.62008333739843 0.53666113997110 15.999 > 49 56 O 0.95052315302162 0.62008333739843 0.53666113997110 15.999 > 49 57 O 0.37991666260157 0.04947684697838 0.21333886002890 15.999 > 57 58 O 0.87991666260157 0.04947684697838 0.21333886002890 15.999 > 57 59 O 0.37991666260157 0.54947684697838 0.21333886002890 15.999 > 57 60 O 0.87991666260157 0.54947684697838 0.21333886002890 15.999 > 57 61 O 0.37991666260157 0.04947684697838 0.71333886002890 15.999 > 57 62 O 0.87991666260157 0.04947684697838 0.71333886002890 15.999 > 57 63 O 0.37991666260157 0.54947684697838 0.71333886002890 15.999 > 57 64 O 0.87991666260157 0.54947684697838 0.71333886002890 15.999 > 57 65 Si 0.10156326233951 0.10156326233951 0.00000000000000 28.085 > 65 66 Si 0.60156326233951 0.10156326233951 0.00000000000000 28.085 > 65 67 Si 0.10156326233951 0.60156326233951 0.00000000000000 28.085 > 65 68 Si 0.60156326233951 0.60156326233951 0.00000000000000 28.085 > 65 69 Si 0.10156326233951 0.10156326233951 0.50000000000000 28.085 > 65 70 Si 0.60156326233951 0.10156326233951 0.50000000000000 28.085 > 65 71 Si 0.10156326233951 0.60156326233951 0.50000000000000 28.085 > 65 72 Si 0.60156326233951 0.60156326233951 0.50000000000000 28.085 > 65 73 Si 0.14843673766049 0.35156326233951 0.37500000000000 28.085 > 73 74 Si 0.64843673766049 0.35156326233951 0.37500000000000 28.085 > 73 75 Si 0.14843673766049 0.85156326233951 0.37500000000000 28.085 > 73 76 Si 0.64843673766049 0.85156326233951 0.37500000000000 28.085 > 73 77 Si 0.14843673766049 0.35156326233951 0.87500000000000 28.085 > 73 78 Si 0.64843673766049 0.35156326233951 0.87500000000000 28.085 > 73 79 Si 0.14843673766049 0.85156326233951 0.87500000000000 28.085 > 73 80 Si 0.64843673766049 0.85156326233951 0.87500000000000 28.085 > 73 81 Si 0.35156326233951 0.14843673766049 0.12500000000000 28.085 > 81 82 Si 0.85156326233951 0.14843673766049 0.12500000000000 28.085 > 81 83 Si 0.35156326233951 0.64843673766049 0.12500000000000 28.085 > 81 84 Si 0.85156326233951 0.64843673766049 0.12500000000000 28.085 > 81 85 Si 0.35156326233951 0.14843673766049 0.62500000000000 28.085 > 81 86 Si 0.85156326233951 0.14843673766049 0.62500000000000 28.085 > 81 87 Si 0.35156326233951 0.64843673766049 0.62500000000000 28.085 > 81 88 Si 0.85156326233951 0.64843673766049 0.62500000000000 28.085 > 81 89 Si 0.39843673766049 0.39843673766049 0.25000000000000 28.085 > 89 90 Si 0.89843673766049 0.39843673766049 0.25000000000000 28.085 > 89 91 Si 0.39843673766049 0.89843673766049 0.25000000000000 28.085 > 89 92 Si 0.89843673766049 0.89843673766049 0.25000000000000 28.085 > 89 93 Si 0.39843673766049 0.39843673766049 0.75000000000000 28.085 > 89 94 Si 0.89843673766049 0.39843673766049 0.75000000000000 28.085 > 89 95 Si 0.39843673766049 0.89843673766049 0.75000000000000 28.085 > 89 96 Si 0.89843673766049 0.89843673766049 0.75000000000000 28.085 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2570707 0.0000000 0.0000000 0.0000000 2.2570707 0.0000000 0.0000000 0.0000000 2.2456445 -------------------------- Born effective charges -------------------------- 1 O -2.3049678 -0.2066537 0.8325257 -0.1462613 -1.0302256 0.0603485 0.8307362 0.1988101 -1.6460415 2 O -2.3049678 -0.2066537 -0.8325257 -0.1462613 -1.0302256 -0.0603485 -0.8307362 -0.1988101 -1.6460415 3 O -1.0302256 -0.1462613 -0.0603485 -0.2066537 -2.3049678 -0.8325257 -0.1988101 -0.8307362 -1.6460415 4 O -1.0302256 0.1462613 0.0603485 0.2066537 -2.3049678 -0.8325257 0.1988101 -0.8307362 -1.6460415 5 O -1.0302256 -0.1462613 0.0603485 -0.2066537 -2.3049678 0.8325257 0.1988101 0.8307362 -1.6460415 6 O -2.3049678 0.2066537 -0.8325257 0.1462613 -1.0302256 0.0603485 -0.8307362 0.1988101 -1.6460415 7 O -2.3049678 0.2066537 0.8325257 0.1462613 -1.0302256 -0.0603485 0.8307362 -0.1988101 -1.6460415 8 O -1.0302256 0.1462613 -0.0603485 0.2066537 -2.3049678 0.8325257 -0.1988101 0.8307362 -1.6460415 9 Si 3.3351934 0.0215223 0.1939053 0.0215223 3.3351934 -0.1939053 -0.3386872 0.3386872 3.2920830 10 Si 3.3351934 -0.0215223 0.1939053 -0.0215223 3.3351934 0.1939053 -0.3386872 -0.3386872 3.2920830 11 Si 3.3351934 -0.0215223 -0.1939053 -0.0215223 3.3351934 -0.1939053 0.3386872 0.3386872 3.2920830 12 Si 3.3351934 0.0215223 -0.1939053 0.0215223 3.3351934 0.1939053 0.3386872 -0.3386872 3.2920830 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000024 (xxx) -0.00000024 (xxx) -0.00000024 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000013 (zx) 0.00000013 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:12:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:12:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_32_12 (96) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.045039590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.045039590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.036913330000000 Atomic positions (fractional): 1 O 0.59895369395676 0.74016667479686 0.67667772005779 15.999 2 O 0.40104630604324 0.25983332520314 0.17667772005779 15.999 3 O 0.74016667479686 0.59895369395676 0.32332227994221 15.999 4 O 0.24016667479686 0.90104630604324 0.92667772005779 15.999 5 O 0.25983332520314 0.40104630604324 0.82332227994221 15.999 6 O 0.09895369395676 0.75983332520314 0.57332227994221 15.999 7 O 0.90104630604324 0.24016667479686 0.07332227994221 15.999 8 O 0.75983332520314 0.09895369395676 0.42667772005779 15.999 9 Si 0.20312652467902 0.20312652467902 0.00000000000000 28.085 10 Si 0.29687347532098 0.70312652467902 0.75000000000000 28.085 11 Si 0.70312652467902 0.29687347532098 0.25000000000000 28.085 12 Si 0.79687347532098 0.79687347532098 0.50000000000000 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.090079180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.090079180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.073826660000000 Atomic positions (fractional): 1 O 0.29947684697838 0.37008333739843 0.33833886002890 15.999 > 1 2 O 0.79947684697838 0.37008333739843 0.33833886002890 15.999 > 1 3 O 0.29947684697838 0.87008333739843 0.33833886002890 15.999 > 1 4 O 0.79947684697838 0.87008333739843 0.33833886002890 15.999 > 1 5 O 0.29947684697838 0.37008333739843 0.83833886002890 15.999 > 1 6 O 0.79947684697838 0.37008333739843 0.83833886002890 15.999 > 1 7 O 0.29947684697838 0.87008333739843 0.83833886002890 15.999 > 1 8 O 0.79947684697838 0.87008333739843 0.83833886002890 15.999 > 1 9 O 0.20052315302162 0.12991666260157 0.08833886002890 15.999 > 9 10 O 0.70052315302162 0.12991666260157 0.08833886002890 15.999 > 9 11 O 0.20052315302162 0.62991666260157 0.08833886002890 15.999 > 9 12 O 0.70052315302162 0.62991666260157 0.08833886002890 15.999 > 9 13 O 0.20052315302162 0.12991666260157 0.58833886002890 15.999 > 9 14 O 0.70052315302162 0.12991666260157 0.58833886002890 15.999 > 9 15 O 0.20052315302162 0.62991666260157 0.58833886002890 15.999 > 9 16 O 0.70052315302162 0.62991666260157 0.58833886002890 15.999 > 9 17 O 0.37008333739843 0.29947684697838 0.16166113997110 15.999 > 17 18 O 0.87008333739843 0.29947684697838 0.16166113997110 15.999 > 17 19 O 0.37008333739843 0.79947684697838 0.16166113997110 15.999 > 17 20 O 0.87008333739843 0.79947684697838 0.16166113997110 15.999 > 17 21 O 0.37008333739843 0.29947684697838 0.66166113997110 15.999 > 17 22 O 0.87008333739843 0.29947684697838 0.66166113997110 15.999 > 17 23 O 0.37008333739843 0.79947684697838 0.66166113997110 15.999 > 17 24 O 0.87008333739843 0.79947684697838 0.66166113997110 15.999 > 17 25 O 0.12008333739843 0.45052315302162 0.46333886002890 15.999 > 25 26 O 0.62008333739843 0.45052315302162 0.46333886002890 15.999 > 25 27 O 0.12008333739843 0.95052315302162 0.46333886002890 15.999 > 25 28 O 0.62008333739843 0.95052315302162 0.46333886002890 15.999 > 25 29 O 0.12008333739843 0.45052315302162 0.96333886002890 15.999 > 25 30 O 0.62008333739843 0.45052315302162 0.96333886002890 15.999 > 25 31 O 0.12008333739843 0.95052315302162 0.96333886002890 15.999 > 25 32 O 0.62008333739843 0.95052315302162 0.96333886002890 15.999 > 25 33 O 0.12991666260157 0.20052315302162 0.41166113997110 15.999 > 33 34 O 0.62991666260157 0.20052315302162 0.41166113997110 15.999 > 33 35 O 0.12991666260157 0.70052315302162 0.41166113997110 15.999 > 33 36 O 0.62991666260157 0.70052315302162 0.41166113997110 15.999 > 33 37 O 0.12991666260157 0.20052315302162 0.91166113997110 15.999 > 33 38 O 0.62991666260157 0.20052315302162 0.91166113997110 15.999 > 33 39 O 0.12991666260157 0.70052315302162 0.91166113997110 15.999 > 33 40 O 0.62991666260157 0.70052315302162 0.91166113997110 15.999 > 33 41 O 0.04947684697838 0.37991666260157 0.28666113997110 15.999 > 41 42 O 0.54947684697838 0.37991666260157 0.28666113997110 15.999 > 41 43 O 0.04947684697838 0.87991666260157 0.28666113997110 15.999 > 41 44 O 0.54947684697838 0.87991666260157 0.28666113997110 15.999 > 41 45 O 0.04947684697838 0.37991666260157 0.78666113997110 15.999 > 41 46 O 0.54947684697838 0.37991666260157 0.78666113997110 15.999 > 41 47 O 0.04947684697838 0.87991666260157 0.78666113997110 15.999 > 41 48 O 0.54947684697838 0.87991666260157 0.78666113997110 15.999 > 41 49 O 0.45052315302162 0.12008333739843 0.03666113997110 15.999 > 49 50 O 0.95052315302162 0.12008333739843 0.03666113997110 15.999 > 49 51 O 0.45052315302162 0.62008333739843 0.03666113997110 15.999 > 49 52 O 0.95052315302162 0.62008333739843 0.03666113997110 15.999 > 49 53 O 0.45052315302162 0.12008333739843 0.53666113997110 15.999 > 49 54 O 0.95052315302162 0.12008333739843 0.53666113997110 15.999 > 49 55 O 0.45052315302162 0.62008333739843 0.53666113997110 15.999 > 49 56 O 0.95052315302162 0.62008333739843 0.53666113997110 15.999 > 49 57 O 0.37991666260157 0.04947684697838 0.21333886002890 15.999 > 57 58 O 0.87991666260157 0.04947684697838 0.21333886002890 15.999 > 57 59 O 0.37991666260157 0.54947684697838 0.21333886002890 15.999 > 57 60 O 0.87991666260157 0.54947684697838 0.21333886002890 15.999 > 57 61 O 0.37991666260157 0.04947684697838 0.71333886002890 15.999 > 57 62 O 0.87991666260157 0.04947684697838 0.71333886002890 15.999 > 57 63 O 0.37991666260157 0.54947684697838 0.71333886002890 15.999 > 57 64 O 0.87991666260157 0.54947684697838 0.71333886002890 15.999 > 57 65 Si 0.10156326233951 0.10156326233951 0.00000000000000 28.085 > 65 66 Si 0.60156326233951 0.10156326233951 0.00000000000000 28.085 > 65 67 Si 0.10156326233951 0.60156326233951 0.00000000000000 28.085 > 65 68 Si 0.60156326233951 0.60156326233951 0.00000000000000 28.085 > 65 69 Si 0.10156326233951 0.10156326233951 0.50000000000000 28.085 > 65 70 Si 0.60156326233951 0.10156326233951 0.50000000000000 28.085 > 65 71 Si 0.10156326233951 0.60156326233951 0.50000000000000 28.085 > 65 72 Si 0.60156326233951 0.60156326233951 0.50000000000000 28.085 > 65 73 Si 0.14843673766049 0.35156326233951 0.37500000000000 28.085 > 73 74 Si 0.64843673766049 0.35156326233951 0.37500000000000 28.085 > 73 75 Si 0.14843673766049 0.85156326233951 0.37500000000000 28.085 > 73 76 Si 0.64843673766049 0.85156326233951 0.37500000000000 28.085 > 73 77 Si 0.14843673766049 0.35156326233951 0.87500000000000 28.085 > 73 78 Si 0.64843673766049 0.35156326233951 0.87500000000000 28.085 > 73 79 Si 0.14843673766049 0.85156326233951 0.87500000000000 28.085 > 73 80 Si 0.64843673766049 0.85156326233951 0.87500000000000 28.085 > 73 81 Si 0.35156326233951 0.14843673766049 0.12500000000000 28.085 > 81 82 Si 0.85156326233951 0.14843673766049 0.12500000000000 28.085 > 81 83 Si 0.35156326233951 0.64843673766049 0.12500000000000 28.085 > 81 84 Si 0.85156326233951 0.64843673766049 0.12500000000000 28.085 > 81 85 Si 0.35156326233951 0.14843673766049 0.62500000000000 28.085 > 81 86 Si 0.85156326233951 0.14843673766049 0.62500000000000 28.085 > 81 87 Si 0.35156326233951 0.64843673766049 0.62500000000000 28.085 > 81 88 Si 0.85156326233951 0.64843673766049 0.62500000000000 28.085 > 81 89 Si 0.39843673766049 0.39843673766049 0.25000000000000 28.085 > 89 90 Si 0.89843673766049 0.39843673766049 0.25000000000000 28.085 > 89 91 Si 0.39843673766049 0.89843673766049 0.25000000000000 28.085 > 89 92 Si 0.89843673766049 0.89843673766049 0.25000000000000 28.085 > 89 93 Si 0.39843673766049 0.39843673766049 0.75000000000000 28.085 > 89 94 Si 0.89843673766049 0.39843673766049 0.75000000000000 28.085 > 89 95 Si 0.39843673766049 0.89843673766049 0.75000000000000 28.085 > 89 96 Si 0.89843673766049 0.89843673766049 0.75000000000000 28.085 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2570707 0.0000000 0.0000000 0.0000000 2.2570707 0.0000000 0.0000000 0.0000000 2.2456445 -------------------------- Born effective charges -------------------------- 1 O -2.3049678 -0.2066537 0.8325257 -0.1462613 -1.0302256 0.0603485 0.8307362 0.1988101 -1.6460415 2 O -2.3049678 -0.2066537 -0.8325257 -0.1462613 -1.0302256 -0.0603485 -0.8307362 -0.1988101 -1.6460415 3 O -1.0302256 -0.1462613 -0.0603485 -0.2066537 -2.3049678 -0.8325257 -0.1988101 -0.8307362 -1.6460415 4 O -1.0302256 0.1462613 0.0603485 0.2066537 -2.3049678 -0.8325257 0.1988101 -0.8307362 -1.6460415 5 O -1.0302256 -0.1462613 0.0603485 -0.2066537 -2.3049678 0.8325257 0.1988101 0.8307362 -1.6460415 6 O -2.3049678 0.2066537 -0.8325257 0.1462613 -1.0302256 0.0603485 -0.8307362 0.1988101 -1.6460415 7 O -2.3049678 0.2066537 0.8325257 0.1462613 -1.0302256 -0.0603485 0.8307362 -0.1988101 -1.6460415 8 O -1.0302256 0.1462613 -0.0603485 0.2066537 -2.3049678 0.8325257 -0.1988101 0.8307362 -1.6460415 9 Si 3.3351934 0.0215223 0.1939053 0.0215223 3.3351934 -0.1939053 -0.3386872 0.3386872 3.2920830 10 Si 3.3351934 -0.0215223 0.1939053 -0.0215223 3.3351934 0.1939053 -0.3386872 -0.3386872 3.2920830 11 Si 3.3351934 -0.0215223 -0.1939053 -0.0215223 3.3351934 -0.1939053 0.3386872 0.3386872 3.2920830 12 Si 3.3351934 0.0215223 -0.1939053 0.0215223 3.3351934 0.1939053 0.3386872 -0.3386872 3.2920830 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000024 (xxx) -0.00000024 (xxx) -0.00000024 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 10 10 7 ] 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: 0.74, Number of G-points: 311, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 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 1.068 ( 0.000 -0.000 -0.000) 0.000 3.224 ( -0.000 0.000 0.000) 0.000 4.030 ( 0.000 -0.000 -0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 7.682 ( -0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 -0.000 -0.000) 0.000 8.431 ( 0.000 0.000 0.000) 0.000 10.338 ( -0.000 0.000 -0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 10.806 ( -0.000 0.000 -0.000) 0.000 10.806 ( -0.000 0.000 0.000) 0.000 11.610 ( 0.000 -0.000 0.000) 0.000 12.388 ( 0.000 0.000 -0.000) 0.000 13.207 ( 0.000 0.000 0.000) 0.000 13.207 ( 0.000 0.000 0.000) 0.000 13.872 ( 0.000 0.000 -0.000) 0.000 17.778 ( -0.000 0.000 0.000) 0.000 17.778 ( 0.000 0.000 0.000) 0.000 22.849 ( -0.000 0.000 0.000) 0.000 22.924 ( 0.000 0.000 0.000) 0.000 22.926 ( 0.000 0.000 0.000) 0.000 23.062 ( 0.000 0.000 -0.000) 0.000 23.062 ( 0.000 0.000 0.000) 0.000 32.131 ( 0.000 0.000 -0.000) 0.000 32.204 ( 0.000 0.000 0.000) 0.000 32.204 ( 0.000 0.000 0.000) 0.000 32.233 ( 0.000 0.000 0.000) 0.000 32.299 ( 0.000 0.000 -0.000) 0.000 33.532 ( 0.000 0.000 0.000) 0.000 35.522 ( -0.000 0.000 0.000) 0.000 35.522 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 32.617 0.000 0.000) 32.617 0.721 ( 34.770 0.000 0.000) 34.770 1.065 ( 53.441 0.000 0.000) 53.441 1.458 ( 34.264 0.000 0.000) 34.264 3.581 ( 28.516 0.000 0.000) 28.516 4.067 ( 3.908 0.000 0.000) 3.908 4.230 ( 20.407 0.000 0.000) 20.407 6.572 ( 22.580 0.000 0.000) 22.580 7.373 ( -23.809 0.000 0.000) 23.809 7.622 ( -5.628 0.000 0.000) 5.628 8.119 ( -7.849 0.000 0.000) 7.849 8.556 ( 14.362 0.000 0.000) 14.362 10.245 ( -17.743 0.000 0.000) 17.743 10.391 ( -10.536 0.000 0.000) 10.536 10.828 ( 1.711 0.000 0.000) 1.711 11.201 ( 14.026 0.000 0.000) 14.026 11.791 ( 15.942 0.000 0.000) 15.942 12.358 ( -3.042 0.000 0.000) 3.042 13.153 ( -5.571 0.000 0.000) 5.571 13.800 ( -6.999 0.000 0.000) 6.999 15.029 ( -2.352 0.000 0.000) 2.352 17.513 ( -25.117 0.000 0.000) 25.117 18.137 ( 11.497 0.000 0.000) 11.497 22.848 ( -10.092 0.000 0.000) 10.092 22.895 ( 4.537 0.000 0.000) 4.537 22.924 ( -0.391 0.000 0.000) 0.391 23.057 ( -0.510 0.000 0.000) 0.510 23.189 ( 13.768 0.000 0.000) 13.768 32.139 ( 0.709 0.000 0.000) 0.709 32.200 ( -0.416 0.000 0.000) 0.416 32.237 ( 0.377 0.000 0.000) 0.377 32.291 ( -0.713 0.000 0.000) 0.713 33.618 ( 8.482 0.000 0.000) 8.482 35.343 ( -2.102 0.000 0.000) 2.102 35.507 ( -1.283 0.000 0.000) 1.283 36.733 ( -4.850 0.000 0.000) 4.850 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 28.269 0.000 0.000) 28.269 1.309 ( 24.450 0.000 0.000) 24.450 2.108 ( 51.298 0.000 0.000) 51.298 2.258 ( 43.432 0.000 0.000) 43.432 4.018 ( 15.303 0.000 0.000) 15.303 4.197 ( 9.768 0.000 0.000) 9.768 5.039 ( 57.326 0.000 0.000) 57.326 6.847 ( -28.567 0.000 0.000) 28.567 6.936 ( 3.643 0.000 0.000) 3.643 7.661 ( 16.278 0.000 0.000) 16.278 7.831 ( -19.152 0.000 0.000) 19.152 8.890 ( 17.486 0.000 0.000) 17.486 9.780 ( -20.962 0.000 0.000) 20.962 10.299 ( -3.843 0.000 0.000) 3.843 10.837 ( -2.016 0.000 0.000) 2.016 11.469 ( 13.515 0.000 0.000) 13.515 12.140 ( 17.606 0.000 0.000) 17.606 12.268 ( -6.097 0.000 0.000) 6.097 12.981 ( -11.917 0.000 0.000) 11.917 13.611 ( -11.500 0.000 0.000) 11.500 14.974 ( -2.857 0.000 0.000) 2.857 16.878 ( -36.386 0.000 0.000) 36.386 18.478 ( 22.831 0.000 0.000) 22.831 22.529 ( -21.577 0.000 0.000) 21.577 22.914 ( -0.506 0.000 0.000) 0.506 22.989 ( 1.946 0.000 0.000) 1.946 23.080 ( 5.674 0.000 0.000) 5.674 23.513 ( 16.409 0.000 0.000) 16.409 32.155 ( 0.746 0.000 0.000) 0.746 32.188 ( -0.678 0.000 0.000) 0.678 32.247 ( 0.524 0.000 0.000) 0.524 32.274 ( -0.901 0.000 0.000) 0.901 33.855 ( 14.939 0.000 0.000) 14.939 35.282 ( -3.998 0.000 0.000) 3.998 35.485 ( -0.516 0.000 0.000) 0.516 36.591 ( -9.312 0.000 0.000) 9.312 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 16.925 0.000 0.000) 16.925 1.759 ( 20.170 0.000 0.000) 20.170 3.061 ( 43.428 0.000 0.000) 43.428 3.115 ( 42.372 0.000 0.000) 42.372 4.263 ( 9.620 0.000 0.000) 9.620 4.486 ( 20.215 0.000 0.000) 20.215 6.223 ( 53.869 0.000 0.000) 53.869 6.256 ( -30.555 0.000 0.000) 30.555 6.782 ( -11.693 0.000 0.000) 11.693 7.412 ( -22.008 0.000 0.000) 22.008 8.007 ( 9.692 0.000 0.000) 9.692 9.222 ( 15.717 0.000 0.000) 15.717 9.658 ( 13.727 0.000 0.000) 13.727 10.212 ( -4.361 0.000 0.000) 4.361 10.693 ( -13.868 0.000 0.000) 13.868 11.735 ( 13.018 0.000 0.000) 13.018 12.106 ( -10.975 0.000 0.000) 10.975 12.456 ( 13.999 0.000 0.000) 13.999 12.688 ( -16.790 0.000 0.000) 16.790 13.367 ( -12.588 0.000 0.000) 12.588 14.936 ( -0.463 0.000 0.000) 0.463 16.156 ( -34.745 0.000 0.000) 34.745 19.032 ( 32.604 0.000 0.000) 32.604 22.006 ( -30.900 0.000 0.000) 30.900 22.906 ( -0.256 0.000 0.000) 0.256 22.977 ( -1.561 0.000 0.000) 1.561 23.270 ( 11.724 0.000 0.000) 11.724 23.771 ( 8.602 0.000 0.000) 8.602 32.166 ( 0.410 0.000 0.000) 0.410 32.175 ( -0.523 0.000 0.000) 0.523 32.254 ( 0.161 0.000 0.000) 0.161 32.258 ( -0.658 0.000 0.000) 0.658 34.187 ( 17.887 0.000 0.000) 17.887 35.184 ( -5.948 0.000 0.000) 5.948 35.505 ( 2.919 0.000 0.000) 2.919 36.370 ( -12.819 0.000 0.000) 12.819 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 10.542 0.000 0.000) 10.542 2.051 ( 9.013 0.000 0.000) 9.013 3.774 ( 27.988 0.000 0.000) 27.988 3.918 ( 37.358 0.000 0.000) 37.358 4.379 ( 1.994 0.000 0.000) 1.994 4.956 ( 19.017 0.000 0.000) 19.017 5.712 ( -16.657 0.000 0.000) 16.657 6.494 ( -12.287 0.000 0.000) 12.287 6.812 ( -4.692 0.000 0.000) 4.692 7.000 ( -18.503 0.000 0.000) 18.503 8.398 ( 40.916 0.000 0.000) 40.916 9.500 ( 11.465 0.000 0.000) 11.465 9.969 ( -1.452 0.000 0.000) 1.452 10.252 ( -30.351 0.000 0.000) 30.351 10.381 ( 33.459 0.000 0.000) 33.459 11.769 ( -24.698 0.000 0.000) 24.698 11.975 ( 11.056 0.000 0.000) 11.056 12.381 ( -12.655 0.000 0.000) 12.655 12.700 ( 11.002 0.000 0.000) 11.002 13.126 ( -11.618 0.000 0.000) 11.618 14.977 ( 5.158 0.000 0.000) 5.158 15.552 ( -25.369 0.000 0.000) 25.369 19.747 ( 38.855 0.000 0.000) 38.855 21.322 ( -37.562 0.000 0.000) 37.562 22.906 ( 0.315 0.000 0.000) 0.315 22.945 ( -1.543 0.000 0.000) 1.543 23.513 ( 12.224 0.000 0.000) 12.224 23.840 ( -1.487 0.000 0.000) 1.487 32.169 ( -0.084 0.000 0.000) 0.084 32.171 ( 0.078 0.000 0.000) 0.078 32.249 ( -0.268 0.000 0.000) 0.268 32.253 ( -0.260 0.000 0.000) 0.260 34.537 ( 16.742 0.000 0.000) 16.742 35.041 ( -8.680 0.000 0.000) 8.680 35.612 ( 8.059 0.000 0.000) 8.059 36.096 ( -14.376 0.000 0.000) 14.376 ======================= Grid point 5 (6/84) ======================= q-point: (-0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -2.045 0.000 0.000) 2.045 2.117 ( 2.045 0.000 0.000) 2.045 4.177 ( -12.138 0.000 0.000) 12.138 4.177 ( 12.138 0.000 0.000) 12.138 4.712 ( -31.124 0.000 0.000) 31.124 4.712 ( 31.124 0.000 0.000) 31.124 6.029 ( -32.990 0.000 0.000) 32.990 6.029 ( 32.990 0.000 0.000) 32.990 6.737 ( -5.978 0.000 0.000) 5.978 6.737 ( 5.978 0.000 0.000) 5.978 9.329 ( -41.902 0.000 0.000) 41.902 9.329 ( 41.902 0.000 0.000) 41.902 9.849 ( -4.120 0.000 0.000) 4.120 9.849 ( 4.120 0.000 0.000) 4.120 11.138 ( -37.370 0.000 0.000) 37.370 11.138 ( 37.370 0.000 0.000) 37.370 12.175 ( -9.408 0.000 0.000) 9.408 12.175 ( 9.408 0.000 0.000) 9.408 12.908 ( -10.436 0.000 0.000) 10.436 12.908 ( 10.436 0.000 0.000) 10.436 15.162 ( -14.116 0.000 0.000) 14.116 15.162 ( 14.116 0.000 0.000) 14.116 20.541 ( -40.483 0.000 0.000) 40.483 20.541 ( 40.483 0.000 0.000) 40.483 22.920 ( -1.007 0.000 0.000) 1.007 22.920 ( 1.007 0.000 0.000) 1.007 23.730 ( -8.942 0.000 0.000) 8.942 23.730 ( 8.942 0.000 0.000) 8.942 32.170 ( -0.112 0.000 0.000) 0.112 32.170 ( 0.112 0.000 0.000) 0.112 32.248 ( -0.154 0.000 0.000) 0.154 32.248 ( 0.154 0.000 0.000) 0.154 34.831 ( -12.711 0.000 0.000) 12.711 34.831 ( 12.711 0.000 0.000) 12.711 35.822 ( -12.716 0.000 0.000) 12.716 35.822 ( 12.716 0.000 0.000) 12.716 ======================= Grid point 12 (7/84) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 14.892 14.892 0.000) 21.060 0.909 ( 12.555 12.555 0.000) 17.755 1.205 ( 34.229 34.229 0.000) 48.406 2.103 ( 43.147 43.147 0.000) 61.019 3.916 ( 30.390 30.390 0.000) 42.979 4.225 ( 10.073 10.073 0.000) 14.245 4.254 ( 12.332 12.332 0.000) 17.440 6.621 ( 0.670 0.670 0.000) 0.947 7.299 ( -17.546 -17.546 0.000) 24.813 7.404 ( 0.707 0.707 0.000) 0.999 8.333 ( 6.778 6.778 0.000) 9.585 8.519 ( 3.374 3.374 0.000) 4.771 10.220 ( -11.464 -11.464 0.000) 16.212 10.254 ( -4.553 -4.553 0.000) 6.439 10.770 ( -4.696 -4.696 0.000) 6.641 11.330 ( 12.368 12.368 0.000) 17.491 11.854 ( 7.022 7.022 0.000) 9.930 12.349 ( -1.187 -1.187 0.000) 1.679 13.126 ( -4.664 -4.664 0.000) 6.595 13.729 ( -6.993 -6.993 0.000) 9.890 15.108 ( 3.125 3.125 0.000) 4.419 17.643 ( -5.748 -5.748 0.000) 8.129 17.855 ( -7.295 -7.295 0.000) 10.316 22.672 ( -15.183 -15.183 0.000) 21.472 22.828 ( -0.451 -0.451 0.000) 0.638 22.991 ( 4.007 4.007 0.000) 5.667 23.178 ( 7.696 7.696 0.000) 10.884 23.243 ( 7.335 7.335 0.000) 10.373 32.147 ( 0.704 0.704 0.000) 0.996 32.189 ( -0.329 -0.329 0.000) 0.466 32.280 ( 0.029 0.029 0.000) 0.040 32.297 ( 1.509 1.509 0.000) 2.134 33.700 ( 8.132 8.132 0.000) 11.500 35.339 ( -1.084 -1.084 0.000) 1.533 35.480 ( -1.875 -1.875 0.000) 2.651 36.682 ( -4.812 -4.812 0.000) 6.806 ======================= Grid point 13 (8/84) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 26.373 -5.609 0.000) 26.963 1.476 ( 38.076 -22.459 0.000) 44.207 1.855 ( 28.859 40.454 0.000) 49.693 2.983 ( 44.027 39.351 0.000) 59.050 4.184 ( 3.305 24.831 0.000) 25.050 4.578 ( 21.364 29.782 0.000) 36.652 5.021 ( 56.029 -1.113 0.000) 56.040 6.436 ( -17.719 -27.524 0.000) 32.735 6.879 ( -20.982 -16.452 0.000) 26.663 7.696 ( 21.171 14.020 0.000) 25.392 8.182 ( -11.739 22.913 0.000) 25.745 8.824 ( 18.922 -6.444 0.000) 19.989 9.837 ( -19.413 4.739 0.000) 19.983 10.208 ( -3.924 -9.002 0.000) 9.820 10.761 ( 1.782 -6.516 0.000) 6.756 11.537 ( 8.017 6.381 0.000) 10.246 12.024 ( 7.633 -7.597 0.000) 10.769 12.326 ( -0.071 2.936 0.000) 2.937 12.955 ( -12.323 -4.337 0.000) 13.064 13.538 ( -11.792 -7.307 0.000) 13.873 15.125 ( -0.399 12.281 0.000) 12.288 17.051 ( -36.667 16.803 0.000) 40.334 18.179 ( 24.897 -27.379 0.000) 37.006 22.287 ( -23.430 -20.085 0.000) 30.860 22.916 ( 8.111 -6.319 0.000) 10.282 23.046 ( 2.240 9.513 0.000) 9.774 23.223 ( -0.010 14.723 0.000) 14.723 23.526 ( 15.614 0.756 0.000) 15.632 32.160 ( 0.460 0.641 0.000) 0.789 32.184 ( -0.125 -0.737 0.000) 0.747 32.270 ( -0.486 0.105 0.000) 0.497 32.307 ( -0.455 4.159 0.000) 4.183 33.928 ( 14.355 7.199 0.000) 16.059 35.292 ( -3.566 0.840 0.000) 3.664 35.456 ( -0.225 -2.650 0.000) 2.659 36.546 ( -8.813 -4.340 0.000) 9.824 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 25.930 -1.279 0.000) 25.962 2.302 ( 43.505 -34.640 0.000) 55.611 2.324 ( 18.519 43.023 0.000) 46.839 3.747 ( 28.835 26.487 0.000) 39.154 4.302 ( 11.006 20.608 0.000) 23.363 4.910 ( 9.525 26.066 0.000) 27.751 5.829 ( -4.262 -24.075 0.000) 24.450 6.390 ( 40.114 2.033 0.000) 40.166 6.534 ( -10.796 -15.622 0.000) 18.989 7.721 ( -16.140 23.432 0.000) 28.453 8.186 ( 4.273 16.227 0.000) 16.780 9.191 ( 17.782 -2.986 0.000) 18.031 9.692 ( 10.284 3.090 0.000) 10.738 10.096 ( -6.344 -10.047 0.000) 11.882 10.731 ( -7.169 1.949 0.000) 7.429 11.677 ( 6.856 -4.774 0.000) 8.355 12.055 ( -5.250 -5.754 0.000) 7.789 12.369 ( 1.587 -5.704 0.000) 5.921 12.679 ( -12.310 -3.777 0.000) 12.877 13.282 ( -13.435 -8.623 0.000) 15.964 15.126 ( 1.107 17.445 0.000) 17.480 16.339 ( -33.653 18.132 0.000) 38.227 18.763 ( 33.713 -24.707 0.000) 41.797 21.746 ( -31.056 -22.294 0.000) 38.230 23.043 ( 2.452 11.390 0.000) 11.651 23.166 ( 10.738 -2.606 0.000) 11.050 23.207 ( -0.532 13.357 0.000) 13.367 23.768 ( 7.730 -0.440 0.000) 7.743 32.164 ( 0.054 -0.050 0.000) 0.074 32.184 ( 0.019 -0.194 0.000) 0.195 32.262 ( -0.376 0.285 0.000) 0.472 32.289 ( -1.147 3.593 0.000) 3.772 34.247 ( 17.197 5.941 0.000) 18.194 35.200 ( -5.643 1.667 0.000) 5.884 35.484 ( 3.405 -1.968 0.000) 3.933 36.337 ( -12.168 -3.242 0.000) 12.592 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 20.562 12.344 0.000) 23.982 2.573 ( 5.938 41.481 0.000) 41.904 3.155 ( 41.668 -33.996 0.000) 53.777 4.082 ( 8.866 4.641 0.000) 10.007 4.480 ( -1.943 7.683 0.000) 7.925 4.858 ( -14.671 -18.737 0.000) 23.798 5.786 ( 15.455 14.349 0.000) 21.089 6.452 ( 2.259 7.090 0.000) 7.441 7.007 ( 2.497 16.372 0.000) 16.561 7.369 ( -18.993 27.389 0.000) 33.330 8.385 ( 30.594 -0.497 0.000) 30.598 9.502 ( 9.900 -0.796 0.000) 9.932 9.806 ( -7.705 -11.059 0.000) 13.479 10.319 ( 23.115 1.551 0.000) 23.167 10.461 ( -8.827 8.574 0.000) 12.306 11.716 ( -17.513 -5.819 0.000) 18.454 11.893 ( 2.373 -7.305 0.000) 7.680 12.237 ( -10.326 -12.961 0.000) 16.571 12.651 ( 6.263 -6.047 0.000) 8.706 13.025 ( -12.130 -10.164 0.000) 15.825 15.191 ( 5.977 20.335 0.000) 21.195 15.759 ( -24.245 20.245 0.000) 31.586 19.494 ( 39.276 -23.143 0.000) 45.588 21.065 ( -37.222 -22.678 0.000) 43.586 23.079 ( 1.686 15.549 0.000) 15.640 23.161 ( -2.288 17.504 0.000) 17.653 23.436 ( 13.701 -6.632 0.000) 15.222 23.817 ( -2.619 -2.114 0.000) 3.366 32.168 ( 0.359 -0.202 0.000) 0.412 32.183 ( -0.147 0.237 0.000) 0.279 32.255 ( -0.350 0.306 0.000) 0.465 32.267 ( -0.995 2.130 0.000) 2.351 34.583 ( 16.053 4.589 0.000) 16.696 35.065 ( -8.253 2.386 0.000) 8.591 35.599 ( 8.271 -1.279 0.000) 8.370 36.075 ( -13.830 -2.050 0.000) 13.981 ======================= Grid point 16 (11/84) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -9.229 29.888 0.000) 31.281 2.540 ( 9.229 29.888 0.000) 31.281 3.899 ( -30.356 -18.677 0.000) 35.642 3.899 ( 30.356 -18.677 0.000) 35.642 4.520 ( -14.450 -17.805 0.000) 22.931 4.520 ( 14.450 -17.805 0.000) 22.931 6.290 ( -24.727 25.061 0.000) 35.206 6.290 ( 24.727 25.061 0.000) 35.206 7.010 ( -11.876 23.827 0.000) 26.623 7.010 ( 11.876 23.827 0.000) 26.623 9.171 ( -36.840 -13.082 0.000) 39.093 9.171 ( 36.840 -13.082 0.000) 39.093 9.978 ( -19.842 10.226 0.000) 22.322 9.978 ( 19.842 10.226 0.000) 22.322 11.116 ( -36.931 -2.306 0.000) 37.003 11.116 ( 36.931 -2.306 0.000) 37.003 12.050 ( -9.085 -12.107 0.000) 15.137 12.050 ( 9.085 -12.107 0.000) 15.137 12.811 ( -9.439 -9.790 0.000) 13.599 12.811 ( 9.439 -9.790 0.000) 13.599 15.383 ( -13.906 21.269 0.000) 25.411 15.383 ( 13.906 21.269 0.000) 25.411 20.290 ( -40.358 -22.628 0.000) 46.269 20.290 ( 40.358 -22.628 0.000) 46.269 23.116 ( -2.110 16.916 0.000) 17.047 23.116 ( 2.110 16.916 0.000) 17.047 23.682 ( -10.348 -4.287 0.000) 11.201 23.682 ( 10.348 -4.287 0.000) 11.201 32.177 ( -0.464 0.127 0.000) 0.481 32.177 ( 0.464 0.127 0.000) 0.481 32.253 ( -0.296 0.847 0.000) 0.897 32.253 ( 0.296 0.847 0.000) 0.897 34.864 ( -12.130 3.354 0.000) 12.585 34.864 ( 12.130 3.354 0.000) 12.585 35.808 ( -12.509 -1.281 0.000) 12.575 35.808 ( 12.509 -1.281 0.000) 12.575 ======================= Grid point 24 (12/84) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 1.730 1.730 0.000) 2.447 1.391 ( 6.531 6.531 0.000) 9.236 2.711 ( 40.429 40.429 0.000) 57.175 3.711 ( 32.316 32.316 0.000) 45.701 4.853 ( 16.962 16.962 0.000) 23.988 5.029 ( 27.596 27.596 0.000) 39.027 5.328 ( 35.463 35.463 0.000) 50.153 5.861 ( -25.906 -25.906 0.000) 36.636 6.497 ( -16.869 -16.869 0.000) 23.857 8.073 ( 19.502 19.502 0.000) 27.580 8.624 ( 9.481 9.481 0.000) 13.408 8.680 ( 5.196 5.196 0.000) 7.348 9.864 ( -6.746 -6.746 0.000) 9.540 10.004 ( -7.150 -7.150 0.000) 10.111 10.665 ( -1.159 -1.159 0.000) 1.639 11.658 ( 3.215 3.215 0.000) 4.546 11.895 ( -4.366 -4.366 0.000) 6.174 12.358 ( -0.041 -0.041 0.000) 0.057 12.775 ( -13.525 -13.525 0.000) 19.127 13.329 ( -13.421 -13.421 0.000) 18.980 15.358 ( 10.212 10.212 0.000) 14.442 17.458 ( -1.792 -1.792 0.000) 2.535 17.580 ( -4.897 -4.897 0.000) 6.925 21.816 ( -26.885 -26.885 0.000) 38.021 22.860 ( 2.583 2.583 0.000) 3.653 23.238 ( 7.883 7.883 0.000) 11.149 23.528 ( 8.464 8.464 0.000) 11.970 23.542 ( 6.777 6.777 0.000) 9.584 32.163 ( -1.013 -1.013 0.000) 1.433 32.176 ( 0.602 0.602 0.000) 0.852 32.270 ( -0.081 -0.081 0.000) 0.114 32.364 ( 1.140 1.140 0.000) 1.613 34.130 ( 12.777 12.777 0.000) 18.070 35.305 ( -0.244 -0.244 0.000) 0.345 35.403 ( -1.610 -1.610 0.000) 2.277 36.427 ( -7.631 -7.631 0.000) 10.793 ======================= Grid point 25 (13/84) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 31.219 -30.107 0.000) 43.371 1.689 ( 23.515 -20.381 0.000) 31.118 3.364 ( 24.326 51.864 0.000) 57.286 4.126 ( 6.916 6.861 0.000) 9.742 4.817 ( -14.220 -5.763 0.000) 15.344 5.195 ( -21.188 27.726 0.000) 34.894 5.693 ( 24.396 17.377 0.000) 29.952 6.340 ( 41.518 -4.604 0.000) 41.773 6.498 ( 29.228 16.345 0.000) 33.488 8.200 ( -9.138 22.895 0.000) 24.651 8.572 ( -2.387 21.385 0.000) 21.518 9.119 ( 23.389 -3.554 0.000) 23.657 9.727 ( -2.573 -2.334 0.000) 3.473 9.897 ( -0.821 -7.330 0.000) 7.376 10.712 ( 3.193 -3.780 0.000) 4.948 11.599 ( -6.790 -2.277 0.000) 7.161 11.881 ( 0.428 -11.209 0.000) 11.217 12.267 ( -13.442 -5.188 0.000) 14.408 12.494 ( -9.559 -14.571 0.000) 17.427 13.027 ( -16.267 -16.957 0.000) 23.498 15.534 ( 8.159 21.778 0.000) 23.256 16.845 ( -31.109 31.880 0.000) 44.543 18.173 ( 36.469 -32.211 0.000) 48.658 21.228 ( -32.394 -28.841 0.000) 43.373 23.014 ( 12.006 -3.087 0.000) 12.396 23.352 ( 4.088 12.900 0.000) 13.532 23.535 ( -0.431 15.060 0.000) 15.066 23.756 ( 6.390 -0.464 0.000) 6.407 32.147 ( -0.440 -1.364 0.000) 1.433 32.185 ( 0.194 0.210 0.000) 0.285 32.266 ( -0.322 0.055 0.000) 0.327 32.357 ( -1.543 2.317 0.000) 2.784 34.414 ( 15.354 10.646 0.000) 18.684 35.253 ( -4.554 3.716 0.000) 5.878 35.433 ( 4.403 -3.060 0.000) 5.362 36.246 ( -10.490 -5.785 0.000) 11.979 ======================= Grid point 26 (14/84) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 32.547 -27.147 0.000) 42.382 2.276 ( 32.179 -38.559 0.000) 50.223 3.558 ( -6.407 24.351 0.000) 25.180 4.120 ( -15.553 -24.983 0.000) 29.428 4.340 ( -9.606 0.115 0.000) 9.607 4.888 ( -15.224 41.184 0.000) 43.908 6.258 ( 33.955 30.642 0.000) 45.737 6.903 ( 23.294 34.383 0.000) 41.531 7.293 ( 22.895 10.332 0.000) 25.118 7.942 ( -14.217 28.733 0.000) 32.058 8.436 ( 1.267 7.644 0.000) 7.748 9.395 ( -14.627 -9.859 0.000) 17.640 9.674 ( 19.158 -1.539 0.000) 19.219 10.309 ( 34.194 -2.768 0.000) 34.306 10.633 ( -14.052 7.343 0.000) 15.855 11.513 ( -2.715 -13.889 0.000) 14.152 11.747 ( -18.602 -6.895 0.000) 19.838 11.915 ( -11.360 -18.754 0.000) 21.927 12.440 ( 1.469 -15.039 0.000) 15.111 12.726 ( -13.124 -19.834 0.000) 23.782 15.705 ( 9.694 29.521 0.000) 31.072 16.309 ( -22.686 33.843 0.000) 40.743 18.945 ( 40.664 -29.941 0.000) 50.497 20.535 ( -37.399 -29.268 0.000) 47.490 23.290 ( 14.438 -3.816 0.000) 14.933 23.418 ( 2.867 13.919 0.000) 14.211 23.518 ( -0.948 15.955 0.000) 15.983 23.774 ( -4.424 -1.566 0.000) 4.693 32.148 ( 0.522 -1.438 0.000) 1.530 32.182 ( -0.520 -0.324 0.000) 0.612 32.262 ( 0.157 0.339 0.000) 0.373 32.317 ( -2.184 2.078 0.000) 3.014 34.714 ( 14.266 8.428 0.000) 16.570 35.138 ( -7.137 5.026 0.000) 8.729 35.565 ( 8.757 -2.145 0.000) 9.016 36.017 ( -12.336 -3.732 0.000) 12.888 ======================= Grid point 27 (15/84) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -11.277 -26.459 0.000) 28.762 2.592 ( 11.277 -26.459 0.000) 28.762 3.558 ( -20.786 -29.258 0.000) 35.890 3.558 ( 20.786 -29.258 0.000) 35.890 4.565 ( -16.731 37.224 0.000) 40.811 4.565 ( 16.731 37.224 0.000) 40.811 6.907 ( -26.181 34.452 0.000) 43.271 6.907 ( 26.181 34.452 0.000) 43.271 7.568 ( -20.490 31.137 0.000) 37.274 7.568 ( 20.490 31.137 0.000) 37.274 8.888 ( -31.345 -14.173 0.000) 34.400 8.888 ( 31.345 -14.173 0.000) 34.400 10.185 ( -27.106 9.793 0.000) 28.821 10.185 ( 27.106 9.793 0.000) 28.821 11.038 ( -35.876 -6.108 0.000) 36.392 11.038 ( 35.876 -6.108 0.000) 36.392 11.728 ( -9.173 -19.153 0.000) 21.236 11.728 ( 9.173 -19.153 0.000) 21.236 12.525 ( -7.096 -18.772 0.000) 20.069 12.525 ( 7.096 -18.772 0.000) 20.069 15.942 ( -14.754 33.334 0.000) 36.453 15.942 ( 14.754 33.334 0.000) 36.453 19.757 ( -40.666 -29.220 0.000) 50.076 19.757 ( 40.666 -29.220 0.000) 50.076 23.453 ( -1.709 12.952 0.000) 13.064 23.453 ( 1.709 12.952 0.000) 13.064 23.607 ( -11.017 -0.573 0.000) 11.031 23.607 ( 11.017 -0.573 0.000) 11.031 32.165 ( -1.045 -1.072 0.000) 1.497 32.165 ( 1.045 -1.072 0.000) 1.497 32.279 ( -1.505 1.200 0.000) 1.925 32.279 ( 1.505 1.200 0.000) 1.925 34.963 ( -10.668 6.509 0.000) 12.497 34.963 ( 10.668 6.509 0.000) 12.497 35.773 ( -11.880 -2.302 0.000) 12.101 35.773 ( 11.880 -2.302 0.000) 12.101 ======================= Grid point 36 (16/84) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -2.467 -2.467 0.000) 3.489 1.435 ( -3.089 -3.089 0.000) 4.369 3.894 ( -25.332 -25.332 0.000) 35.825 4.032 ( -16.838 -16.838 0.000) 23.813 4.462 ( 16.981 16.981 0.000) 24.015 6.069 ( 23.874 23.874 0.000) 33.762 6.117 ( 19.881 19.881 0.000) 28.116 6.417 ( 36.376 36.376 0.000) 51.443 7.095 ( 36.961 36.961 0.000) 52.270 8.480 ( 1.216 1.216 0.000) 1.720 8.984 ( 10.683 10.683 0.000) 15.108 9.111 ( 11.093 11.093 0.000) 15.687 9.658 ( -3.787 -3.787 0.000) 5.356 9.770 ( -3.123 -3.123 0.000) 4.417 10.670 ( 2.149 2.149 0.000) 3.039 11.532 ( -10.062 -10.062 0.000) 14.229 11.666 ( -5.949 -5.949 0.000) 8.414 12.075 ( -21.050 -21.050 0.000) 29.769 12.194 ( -8.414 -8.414 0.000) 11.899 12.634 ( -21.467 -21.467 0.000) 30.359 15.944 ( 19.186 19.186 0.000) 27.133 17.544 ( 3.067 3.067 0.000) 4.337 17.572 ( 7.168 7.168 0.000) 10.137 20.618 ( -32.641 -32.641 0.000) 46.161 23.055 ( 7.186 7.186 0.000) 10.163 23.543 ( 6.257 6.257 0.000) 8.849 23.734 ( 3.017 3.017 0.000) 4.267 23.773 ( 3.504 3.504 0.000) 4.955 32.125 ( -0.669 -0.669 0.000) 0.946 32.185 ( -0.191 -0.191 0.000) 0.270 32.263 ( -0.394 -0.394 0.000) 0.557 32.369 ( -0.956 -0.956 0.000) 1.352 34.653 ( 12.928 12.928 0.000) 18.283 35.341 ( 2.163 2.163 0.000) 3.059 35.375 ( 0.274 0.274 0.000) 0.388 36.109 ( -8.115 -8.115 0.000) 11.477 ======================= Grid point 37 (17/84) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 31.475 -36.407 0.000) 48.126 1.612 ( 18.959 -28.870 0.000) 34.539 3.251 ( -34.726 -35.532 0.000) 49.683 3.341 ( -37.961 -43.356 0.000) 57.626 5.041 ( 28.317 45.209 0.000) 53.345 5.892 ( -15.059 52.804 0.000) 54.909 6.862 ( 37.271 22.130 0.000) 43.346 7.381 ( 46.832 12.148 0.000) 48.382 7.742 ( 22.052 41.738 0.000) 47.205 8.332 ( -8.606 4.714 0.000) 9.812 8.800 ( -17.007 30.369 0.000) 34.807 9.264 ( -27.688 1.027 0.000) 27.707 9.668 ( 33.682 -0.211 0.000) 33.683 10.145 ( 30.641 -15.792 0.000) 34.471 10.742 ( -2.031 4.673 0.000) 5.095 11.236 ( -12.669 -14.550 0.000) 19.293 11.526 ( -25.102 -17.447 0.000) 30.570 11.608 ( -11.093 -8.774 0.000) 14.144 12.081 ( -3.654 -19.901 0.000) 20.233 12.255 ( -14.399 -26.852 0.000) 30.469 16.299 ( 17.037 29.334 0.000) 33.923 17.045 ( -22.789 39.105 0.000) 45.261 18.364 ( 41.328 -27.951 0.000) 49.893 19.933 ( -36.513 -31.287 0.000) 48.085 23.268 ( 13.075 2.653 0.000) 13.342 23.612 ( 0.597 4.645 0.000) 4.683 23.752 ( 0.005 6.996 0.000) 6.996 23.788 ( -2.651 3.068 0.000) 4.054 32.124 ( 0.590 -0.763 0.000) 0.964 32.174 ( -1.068 -0.379 0.000) 1.133 32.259 ( 0.410 -0.713 0.000) 0.823 32.331 ( -2.450 -0.665 0.000) 2.539 34.906 ( 12.080 10.583 0.000) 16.060 35.263 ( -5.883 7.562 0.000) 9.580 35.514 ( 9.219 -3.110 0.000) 9.729 35.926 ( -10.152 -5.534 0.000) 11.562 ======================= Grid point 38 (18/84) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -6.766 -38.844 0.000) 39.429 1.888 ( 6.766 -38.844 0.000) 39.429 2.800 ( -3.467 -42.586 0.000) 42.727 2.800 ( 3.467 -42.586 0.000) 42.727 5.532 ( -21.325 50.768 0.000) 55.065 5.532 ( 21.325 50.768 0.000) 55.065 7.535 ( -27.833 23.478 0.000) 36.412 7.535 ( 27.833 23.478 0.000) 36.412 8.203 ( -25.844 30.664 0.000) 40.102 8.203 ( 25.844 30.664 0.000) 40.102 8.714 ( -22.168 3.111 0.000) 22.385 8.714 ( 22.168 3.111 0.000) 22.385 10.341 ( -31.395 4.992 0.000) 31.790 10.341 ( 31.395 4.992 0.000) 31.790 10.819 ( -33.460 -17.687 0.000) 37.847 10.819 ( 33.460 -17.687 0.000) 37.847 11.373 ( -12.132 -14.037 0.000) 18.554 11.373 ( 12.132 -14.037 0.000) 18.554 12.083 ( -4.055 -25.151 0.000) 25.476 12.083 ( 4.055 -25.151 0.000) 25.476 16.643 ( -18.254 36.120 0.000) 40.470 16.643 ( 18.254 36.120 0.000) 40.470 19.174 ( -39.930 -29.264 0.000) 49.505 19.174 ( 39.930 -29.264 0.000) 49.505 23.518 ( -10.403 0.671 0.000) 10.425 23.518 ( 10.403 0.671 0.000) 10.425 23.747 ( -0.229 7.517 0.000) 7.520 23.747 ( 0.229 7.517 0.000) 7.520 32.146 ( -1.474 -0.625 0.000) 1.601 32.146 ( 1.474 -0.625 0.000) 1.601 32.284 ( -2.022 -0.744 0.000) 2.154 32.284 ( 2.022 -0.744 0.000) 2.154 35.117 ( -9.021 8.797 0.000) 12.600 35.117 ( 9.021 8.797 0.000) 12.600 35.715 ( -10.794 -3.594 0.000) 11.376 35.715 ( 10.794 -3.594 0.000) 11.376 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -0.117 -0.117 0.000) 0.166 1.226 ( -6.704 -6.704 0.000) 9.481 2.481 ( -38.705 -38.705 0.000) 54.737 2.496 ( -40.180 -40.180 0.000) 56.824 5.844 ( 35.192 35.192 0.000) 49.769 6.814 ( 12.836 12.836 0.000) 18.153 6.898 ( 15.580 15.580 0.000) 22.033 7.972 ( 39.476 39.476 0.000) 55.827 8.128 ( -18.537 -18.537 0.000) 26.216 8.567 ( 35.595 35.595 0.000) 50.340 9.383 ( 2.741 2.741 0.000) 3.876 9.389 ( 2.850 2.850 0.000) 4.031 9.709 ( 12.209 12.209 0.000) 17.266 9.832 ( 6.484 6.484 0.000) 9.170 10.820 ( -25.510 -25.510 0.000) 36.076 10.874 ( 7.294 7.294 0.000) 10.316 11.166 ( -24.829 -24.829 0.000) 35.113 11.466 ( -4.057 -4.057 0.000) 5.737 11.719 ( -22.701 -22.701 0.000) 32.105 11.750 ( -12.787 -12.787 0.000) 18.083 16.848 ( 26.017 26.017 0.000) 36.794 17.752 ( 5.865 5.865 0.000) 8.294 17.916 ( 8.288 8.288 0.000) 11.721 19.292 ( -33.546 -33.546 0.000) 47.441 23.388 ( 8.694 8.694 0.000) 12.295 23.648 ( -0.386 -0.386 0.000) 0.546 23.820 ( -0.457 -0.457 0.000) 0.646 23.823 ( 1.065 1.065 0.000) 1.507 32.122 ( 0.579 0.579 0.000) 0.819 32.167 ( -0.583 -0.583 0.000) 0.825 32.242 ( -0.525 -0.525 0.000) 0.743 32.299 ( -2.296 -2.296 0.000) 3.248 35.117 ( 10.278 10.278 0.000) 14.535 35.412 ( 1.224 1.224 0.000) 1.730 35.454 ( 2.939 2.939 0.000) 4.156 35.796 ( -7.680 -7.680 0.000) 10.861 ======================= Grid point 49 (20/84) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -10.232 -25.405 0.000) 27.388 1.206 ( 10.232 -25.405 0.000) 27.388 1.966 ( -1.476 -39.282 0.000) 39.309 1.966 ( 1.476 -39.282 0.000) 39.309 6.443 ( -25.473 40.383 0.000) 47.746 6.443 ( 25.473 40.383 0.000) 47.746 7.604 ( -31.981 -14.353 0.000) 35.054 7.604 ( 31.981 -14.353 0.000) 35.054 8.776 ( -36.608 31.364 0.000) 48.206 8.776 ( 36.608 31.364 0.000) 48.206 9.177 ( -17.934 33.516 0.000) 38.012 9.177 ( 17.934 33.516 0.000) 38.012 10.243 ( -29.100 -20.784 0.000) 35.760 10.243 ( 29.100 -20.784 0.000) 35.760 10.452 ( -38.206 -11.755 0.000) 39.973 10.452 ( 38.206 -11.755 0.000) 39.973 11.188 ( -18.366 -6.196 0.000) 19.383 11.188 ( 18.366 -6.196 0.000) 19.383 11.591 ( -4.710 -21.443 0.000) 21.954 11.591 ( 4.710 -21.443 0.000) 21.954 17.340 ( -23.976 33.663 0.000) 41.328 17.340 ( 23.976 33.663 0.000) 41.328 18.598 ( -36.455 -28.889 0.000) 46.514 18.598 ( 36.455 -28.889 0.000) 46.514 23.567 ( -7.854 3.886 0.000) 8.763 23.567 ( 7.854 3.886 0.000) 8.763 23.818 ( -0.790 0.071 0.000) 0.793 23.818 ( 0.790 0.071 0.000) 0.793 32.144 ( -1.442 0.409 0.000) 1.499 32.144 ( 1.442 0.409 0.000) 1.499 32.255 ( -1.754 -1.890 0.000) 2.578 32.255 ( 1.754 -1.890 0.000) 2.578 35.299 ( -7.905 9.227 0.000) 12.151 35.299 ( 7.905 9.227 0.000) 12.151 35.625 ( -9.271 -5.548 0.000) 10.804 35.625 ( 9.271 -5.548 0.000) 10.804 ======================= Grid point 65 (21/84) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.000 0.000 0.000) 0.000 1.008 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.214 ( -0.000 -0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 9.368 ( 0.000 0.000 0.000) 0.000 9.368 ( 0.000 0.000 0.000) 0.000 9.406 ( -0.000 -0.000 0.000) 0.000 9.406 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.179 ( -0.000 -0.000 0.000) 0.000 10.179 ( 0.000 0.000 0.000) 0.000 11.112 ( -0.000 -0.000 0.000) 0.000 11.112 ( 0.000 0.000 0.000) 0.000 11.369 ( 0.000 0.000 0.000) 0.000 11.369 ( 0.000 0.000 0.000) 0.000 17.888 ( 0.000 0.000 0.000) 0.000 17.888 ( 0.000 0.000 0.000) 0.000 18.100 ( 0.000 0.000 0.000) 0.000 18.100 ( 0.000 0.000 0.000) 0.000 23.624 ( 0.000 0.000 0.000) 0.000 23.624 ( 0.000 0.000 0.000) 0.000 23.800 ( 0.000 0.000 0.000) 0.000 23.800 ( 0.000 0.000 0.000) 0.000 32.153 ( 0.000 0.000 0.000) 0.000 32.153 ( 0.000 0.000 0.000) 0.000 32.230 ( 0.000 0.000 0.000) 0.000 32.230 ( 0.000 0.000 0.000) 0.000 35.441 ( 0.000 0.000 0.000) 0.000 35.441 ( 0.000 0.000 0.000) 0.000 35.522 ( -0.000 -0.000 0.000) 0.000 35.522 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 121 (22/84) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.000 -0.000 40.927) 40.927 1.064 ( -0.000 -0.000 47.527) 47.527 1.165 ( 0.000 0.000 56.646) 56.646 1.638 ( 0.000 0.000 45.593) 45.593 3.199 ( -0.000 -0.000 -2.290) 2.290 3.778 ( 0.000 0.000 -9.292) 9.292 4.426 ( -0.000 -0.000 24.119) 24.119 6.183 ( 0.000 0.000 -14.130) 14.130 6.883 ( 0.000 0.000 -41.857) 41.857 7.916 ( 0.000 0.000 -18.639) 18.639 8.374 ( -0.000 -0.000 31.360) 31.360 8.730 ( 0.000 0.000 3.805) 3.805 10.286 ( -0.000 -0.000 -5.146) 5.146 10.584 ( 0.000 0.000 -14.261) 14.261 10.736 ( 0.000 0.000 1.669) 1.669 10.906 ( 0.000 0.000 2.511) 2.511 11.706 ( -0.000 -0.000 8.940) 8.940 12.472 ( 0.000 0.000 7.826) 7.826 13.065 ( 0.000 0.000 -9.001) 9.001 13.265 ( 0.000 0.000 0.651) 0.651 15.320 ( 0.000 0.000 2.316) 2.316 16.945 ( 0.000 0.000 -37.031) 37.031 18.729 ( 0.000 0.000 48.487) 48.487 22.681 ( 0.000 0.000 -15.548) 15.548 22.920 ( -0.000 -0.000 -1.047) 1.047 22.954 ( 0.000 0.000 -4.757) 4.757 23.180 ( 0.000 0.000 5.626) 5.626 23.414 ( 0.000 0.000 0.099) 0.099 32.134 ( -0.000 -0.000 0.238) 0.238 32.192 ( 0.000 0.000 -0.617) 0.617 32.213 ( -0.000 -0.000 0.397) 0.397 32.233 ( -0.000 -0.000 -0.068) 0.068 33.613 ( 0.000 0.000 7.768) 7.768 35.226 ( 0.000 0.000 -15.636) 15.636 35.777 ( 0.000 0.000 11.611) 11.611 36.537 ( 0.000 0.000 -2.557) 2.557 ======================= Grid point 122 (23/84) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -18.413 0.000 33.239) 37.998 1.096 ( 11.071 0.000 31.599) 33.482 1.621 ( 46.726 0.000 41.852) 62.729 2.113 ( 31.404 0.000 43.777) 53.877 3.534 ( 26.673 0.000 -3.969) 26.967 3.891 ( 14.730 0.000 -8.874) 17.197 4.511 ( 10.788 0.000 20.573) 23.230 6.302 ( 5.211 0.000 -26.478) 26.986 6.820 ( -0.813 0.000 -31.321) 31.332 7.889 ( -2.538 0.000 -10.057) 10.373 8.226 ( -13.685 0.000 23.519) 27.211 8.713 ( 5.501 0.000 12.047) 13.243 10.213 ( -10.696 0.000 -3.884) 11.379 10.377 ( -12.481 0.000 -1.698) 12.596 10.787 ( 2.364 0.000 -3.641) 4.341 11.149 ( 15.800 0.000 -5.086) 16.599 11.775 ( 10.336 0.000 3.061) 10.780 12.447 ( -2.410 0.000 8.067) 8.419 13.112 ( -3.377 0.000 -5.789) 6.702 13.474 ( 11.894 0.000 -15.673) 19.675 15.084 ( -14.866 0.000 3.869) 15.361 16.868 ( -11.302 0.000 -38.558) 40.180 18.775 ( 3.427 0.000 43.918) 44.051 22.669 ( 0.256 0.000 -17.975) 17.977 22.878 ( -1.585 0.000 -0.485) 1.658 23.007 ( 1.524 0.000 -3.276) 3.614 23.204 ( -6.680 0.000 12.370) 14.058 23.302 ( 4.750 0.000 8.356) 9.611 32.103 ( -0.066 0.000 -1.066) 1.068 32.199 ( -0.339 0.000 -0.211) 0.400 32.233 ( 0.597 0.000 0.026) 0.597 32.309 ( 3.279 0.000 0.027) 3.279 33.694 ( 8.057 0.000 7.346) 10.903 35.162 ( -2.946 0.000 -12.314) 12.661 35.710 ( -4.997 0.000 11.691) 12.714 36.585 ( -0.138 0.000 -8.922) 8.923 ======================= Grid point 123 (24/84) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 15.817 0.000 -22.241) 27.292 1.292 ( 10.849 0.000 2.741) 11.190 2.558 ( 39.279 0.000 29.225) 48.959 2.714 ( 30.320 0.000 32.341) 44.331 3.946 ( 18.103 0.000 -5.447) 18.905 4.316 ( 19.572 0.000 8.944) 21.519 5.106 ( 51.593 0.000 7.837) 52.185 6.135 ( -17.603 0.000 -39.540) 43.282 6.954 ( 4.538 0.000 -25.506) 25.907 7.808 ( -13.584 0.000 21.411) 25.357 8.037 ( 8.069 0.000 8.927) 12.033 8.912 ( 11.693 0.000 5.266) 12.824 9.850 ( -18.500 0.000 5.574) 19.321 10.238 ( -5.345 0.000 -5.570) 7.719 10.804 ( -1.715 0.000 -3.053) 3.502 11.438 ( 13.770 0.000 -4.578) 14.512 12.030 ( 11.608 0.000 -5.058) 12.662 12.399 ( -1.003 0.000 9.264) 9.319 12.974 ( -10.262 0.000 -1.829) 10.424 13.520 ( -5.517 0.000 -8.239) 9.916 14.863 ( -7.557 0.000 -6.700) 10.100 16.478 ( -26.481 0.000 -31.087) 40.837 18.927 ( 13.720 0.000 36.661) 39.144 22.579 ( -14.118 0.000 -6.344) 15.478 22.902 ( 4.729 0.000 -2.727) 5.459 23.000 ( -3.033 0.000 3.995) 5.016 23.038 ( -2.500 0.000 2.271) 3.377 23.548 ( 13.959 0.000 2.699) 14.218 32.116 ( 1.050 0.000 -1.621) 1.932 32.192 ( -0.345 0.000 -0.166) 0.383 32.245 ( 0.548 0.000 0.257) 0.606 32.323 ( -1.045 0.000 2.450) 2.664 33.920 ( 14.234 0.000 6.252) 15.546 35.140 ( 0.204 0.000 -10.423) 10.425 35.599 ( -5.735 0.000 7.661) 9.570 36.501 ( -7.650 0.000 -7.932) 11.020 ======================= Grid point 124 (25/84) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 25.247 0.000 -38.206) 45.794 1.564 ( 15.895 0.000 -19.482) 25.144 3.034 ( 15.161 0.000 -3.454) 15.549 3.371 ( 31.344 0.000 15.086) 34.786 4.189 ( 3.509 0.000 -6.451) 7.343 4.791 ( 28.286 0.000 23.941) 37.058 5.786 ( -13.242 0.000 -25.858) 29.051 6.227 ( 48.608 0.000 0.928) 48.617 6.924 ( 2.230 0.000 -18.335) 18.470 7.418 ( -21.980 0.000 26.714) 34.594 8.351 ( 9.312 0.000 20.795) 22.785 9.088 ( 8.581 0.000 -8.887) 12.354 9.764 ( 13.995 0.000 8.287) 16.264 10.122 ( -5.652 0.000 -8.417) 10.139 10.666 ( -13.537 0.000 -2.518) 13.769 11.688 ( 10.562 0.000 -5.704) 12.004 12.105 ( -3.579 0.000 0.391) 3.600 12.490 ( 8.916 0.000 3.832) 9.705 12.715 ( -14.777 0.000 1.672) 14.871 13.338 ( -11.267 0.000 -3.086) 11.682 14.772 ( -1.748 0.000 -13.096) 13.212 15.902 ( -29.608 0.000 -22.162) 36.984 19.333 ( 26.721 0.000 26.933) 37.940 22.124 ( -29.612 0.000 7.190) 30.472 22.929 ( -1.259 0.000 2.956) 3.213 22.962 ( -1.028 0.000 -1.127) 1.526 23.154 ( 11.538 0.000 -9.738) 15.098 23.763 ( 6.655 0.000 -0.914) 6.717 32.137 ( 0.998 0.000 -1.191) 1.554 32.186 ( -0.193 0.000 0.073) 0.207 32.252 ( 0.071 0.000 0.236) 0.247 32.291 ( -1.837 0.000 1.929) 2.664 34.237 ( 17.107 0.000 4.850) 17.781 35.141 ( -1.168 0.000 -4.341) 4.495 35.513 ( -1.761 0.000 1.101) 2.077 36.302 ( -11.974 0.000 -6.448) 13.600 ======================= Grid point 125 (26/84) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 19.928 0.000 -31.614) 37.371 1.846 ( 10.112 0.000 -21.367) 23.639 3.298 ( 13.468 0.000 -28.217) 31.266 3.825 ( 4.912 0.000 -36.608) 36.936 4.212 ( 10.440 0.000 3.941) 11.159 5.046 ( -9.871 0.000 -3.698) 10.541 5.863 ( 24.487 0.000 21.053) 32.293 6.635 ( 9.557 0.000 0.784) 9.589 6.926 ( -23.181 0.000 31.195) 38.865 7.293 ( 3.028 0.000 14.704) 15.013 8.521 ( 26.864 0.000 12.163) 29.489 9.361 ( 15.138 0.000 -13.062) 19.994 9.890 ( -8.982 0.000 -8.462) 12.340 10.199 ( -24.436 0.000 -4.718) 24.888 10.438 ( 30.517 0.000 5.877) 31.077 11.706 ( -15.130 0.000 -5.117) 15.972 12.058 ( 4.091 0.000 6.359) 7.561 12.396 ( -12.481 0.000 1.104) 12.530 12.713 ( 9.777 0.000 1.511) 9.894 13.113 ( -10.998 0.000 -1.370) 11.083 14.802 ( 5.176 0.000 -15.152) 16.011 15.365 ( -23.532 0.000 -16.933) 28.991 19.957 ( 35.376 0.000 19.234) 40.267 21.457 ( -36.775 0.000 11.104) 38.415 22.914 ( -0.230 0.000 0.992) 1.019 22.938 ( -1.219 0.000 -0.614) 1.365 23.409 ( 13.319 0.000 -9.414) 16.310 23.795 ( -3.280 0.000 -4.363) 5.459 32.156 ( 0.929 0.000 -0.462) 1.037 32.183 ( -0.252 0.000 0.391) 0.465 32.249 ( -0.330 0.000 -0.008) 0.331 32.259 ( -1.242 0.000 0.439) 1.317 34.572 ( 16.132 0.000 3.545) 16.517 35.056 ( -7.454 0.000 1.453) 7.594 35.568 ( 7.188 0.000 -4.175) 8.313 36.041 ( -13.930 0.000 -5.372) 14.930 ======================= Grid point 126 (27/84) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -6.086 0.000 -21.803) 22.636 1.892 ( 6.086 0.000 -21.803) 22.636 3.605 ( -16.916 0.000 -44.950) 48.028 3.605 ( 16.916 0.000 -44.950) 48.028 4.649 ( -25.118 0.000 -7.810) 26.304 4.649 ( 25.118 0.000 -7.810) 26.304 6.424 ( -27.358 0.000 31.600) 41.798 6.424 ( 27.358 0.000 31.600) 41.798 6.974 ( -23.128 0.000 20.696) 31.036 6.974 ( 23.128 0.000 20.696) 31.036 9.328 ( -38.863 0.000 -0.204) 38.863 9.328 ( 38.863 0.000 -0.204) 38.863 9.725 ( -9.194 0.000 -11.799) 14.958 9.725 ( 9.194 0.000 -11.799) 14.958 11.166 ( -35.268 0.000 2.708) 35.371 11.166 ( 35.268 0.000 2.708) 35.371 12.199 ( -8.266 0.000 2.109) 8.531 12.199 ( 8.266 0.000 2.109) 8.531 12.907 ( -9.860 0.000 -0.119) 9.861 12.907 ( 9.860 0.000 -0.119) 9.861 14.990 ( -14.108 0.000 -15.453) 20.925 14.990 ( 14.108 0.000 -15.453) 20.925 20.700 ( -38.729 0.000 14.236) 41.263 20.700 ( 38.729 0.000 14.236) 41.263 22.918 ( -0.654 0.000 0.024) 0.655 22.918 ( 0.654 0.000 0.024) 0.655 23.652 ( -10.464 0.000 -7.316) 12.767 23.652 ( 10.464 0.000 -7.316) 12.767 32.173 ( -0.738 0.000 0.264) 0.784 32.173 ( 0.738 0.000 0.264) 0.784 32.245 ( -0.138 0.000 -0.266) 0.300 32.245 ( 0.138 0.000 -0.266) 0.300 34.857 ( -12.382 0.000 2.706) 12.674 34.857 ( 12.382 0.000 2.706) 12.674 35.772 ( -12.647 0.000 -4.880) 13.556 35.772 ( 12.647 0.000 -4.880) 13.556 ======================= Grid point 133 (28/84) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 4.922 4.922 13.199) 14.921 1.457 ( 17.872 17.872 29.820) 39.090 1.495 ( 15.049 15.049 44.440) 49.273 2.634 ( 37.386 37.386 38.691) 65.517 3.869 ( 29.588 29.588 -4.670) 42.103 3.964 ( 10.169 10.169 -11.699) 18.539 4.590 ( 9.922 9.922 19.209) 23.788 6.152 ( -14.079 -14.079 -36.192) 41.307 6.985 ( 15.469 15.469 -20.961) 30.298 7.757 ( -11.929 -11.929 7.801) 18.586 8.233 ( -1.149 -1.149 2.336) 2.845 8.725 ( 4.151 4.151 15.264) 16.354 10.192 ( -4.783 -4.783 -5.935) 8.998 10.260 ( -9.159 -9.159 2.770) 13.246 10.768 ( -2.884 -2.884 -0.714) 4.141 11.248 ( 10.864 10.864 -7.431) 17.067 11.847 ( 6.892 6.892 1.570) 9.872 12.435 ( -1.289 -1.289 7.990) 8.195 13.103 ( -3.412 -3.412 -3.722) 6.094 13.526 ( 1.800 1.800 -14.487) 14.709 15.039 ( -3.554 -3.554 -2.479) 5.605 16.827 ( -6.475 -6.475 -41.263) 42.267 18.698 ( -4.724 -4.724 46.444) 46.922 22.485 ( -12.916 -12.916 -16.424) 24.565 22.847 ( -0.673 -0.673 0.633) 1.143 23.096 ( 4.774 4.774 -3.175) 7.461 23.272 ( 1.582 1.582 15.130) 15.294 23.334 ( 7.369 7.369 6.545) 12.306 32.101 ( 0.325 0.325 -1.821) 1.878 32.202 ( 0.269 0.269 0.796) 0.882 32.280 ( 1.856 1.856 -1.287) 2.923 32.312 ( 0.668 0.668 1.109) 1.457 33.772 ( 7.693 7.693 6.908) 12.888 35.145 ( -0.857 -0.857 -12.237) 12.297 35.665 ( -4.037 -4.037 10.617) 12.055 36.564 ( -2.854 -2.854 -8.885) 9.758 ======================= Grid point 134 (29/84) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 6.544 20.901 -4.096) 22.281 1.600 ( 13.909 26.148 -3.633) 29.839 2.261 ( 39.365 -13.760 42.897) 59.826 3.329 ( 28.707 39.654 24.202) 54.611 4.139 ( 11.608 22.924 -4.192) 26.035 4.513 ( 21.364 17.309 -6.786) 28.321 5.135 ( 48.983 3.537 10.404) 50.201 5.847 ( -12.208 -21.261 -34.151) 42.039 7.208 ( -4.189 15.352 -12.690) 20.354 7.545 ( -4.486 -13.571 13.830) 19.889 8.222 ( 6.057 9.184 -2.686) 11.324 8.908 ( 12.032 1.145 11.137) 16.435 9.907 ( -16.579 4.645 4.818) 17.879 10.152 ( -5.785 -8.149 -4.433) 10.933 10.760 ( 1.017 -4.504 -0.406) 4.635 11.464 ( 9.525 3.205 -7.303) 12.424 12.007 ( 7.454 -1.732 -0.489) 7.669 12.408 ( -0.755 0.351 7.521) 7.567 12.956 ( -11.094 -3.347 -0.977) 11.629 13.460 ( -8.156 -6.339 -7.354) 12.680 14.976 ( -2.396 9.817 -10.506) 14.577 16.546 ( -21.479 5.847 -35.798) 42.155 18.727 ( 9.742 -16.996 40.633) 45.109 22.204 ( -17.219 -26.072 -10.640) 33.007 22.885 ( 5.136 -1.921 -0.782) 5.539 23.120 ( -0.749 11.042 0.510) 11.080 23.279 ( -0.667 13.763 9.222) 16.580 23.571 ( 13.401 2.872 3.946) 14.262 32.115 ( 0.902 0.099 -1.901) 2.106 32.208 ( 0.171 0.569 0.971) 1.138 32.286 ( -0.364 3.242 -0.499) 3.300 32.318 ( -0.701 -0.144 1.742) 1.883 33.988 ( 13.656 6.760 5.803) 16.305 35.144 ( 0.708 0.594 -10.435) 10.476 35.569 ( -5.103 -2.862 7.238) 9.307 36.459 ( -7.645 -4.040 -7.803) 11.647 ======================= Grid point 135 (30/84) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 20.268 -1.002 -27.266) 33.989 1.965 ( 20.421 35.351 -26.152) 48.484 2.911 ( 23.653 -5.914 26.625) 36.101 3.773 ( 19.485 19.490 4.842) 27.982 4.249 ( -4.713 18.446 -15.723) 24.692 4.787 ( 8.890 -0.849 -0.577) 8.949 5.831 ( 15.825 9.337 2.140) 18.498 6.263 ( 50.209 0.538 -0.191) 50.212 6.925 ( -15.162 -6.293 9.837) 19.137 7.407 ( -8.085 8.439 -5.747) 13.023 8.499 ( 10.248 10.668 13.263) 19.868 9.088 ( 7.665 0.991 -3.596) 8.525 9.807 ( 10.319 3.935 8.951) 14.216 10.006 ( -6.895 -9.911 -8.171) 14.579 10.714 ( -7.894 2.928 -1.727) 8.595 11.625 ( 6.927 -5.176 -5.614) 10.310 12.069 ( -2.071 -3.986 1.671) 4.792 12.425 ( 0.624 -5.190 5.265) 7.419 12.694 ( -12.668 -4.007 0.859) 13.315 13.247 ( -12.182 -9.131 -3.525) 15.627 14.956 ( 0.790 17.190 -13.935) 22.143 16.049 ( -26.491 14.478 -24.660) 38.981 19.087 ( 25.542 -22.271 28.110) 44.029 21.764 ( -27.227 -28.580 -0.957) 39.485 23.030 ( 7.004 1.598 -1.648) 7.371 23.121 ( 2.131 10.767 -2.000) 11.157 23.261 ( 0.110 15.836 4.396) 16.435 23.775 ( 6.013 1.413 0.627) 6.209 32.134 ( 1.037 -0.160 -1.283) 1.657 32.207 ( -0.241 0.671 0.921) 1.164 32.276 ( -0.679 2.024 0.180) 2.142 32.291 ( -1.700 0.815 0.885) 2.083 34.292 ( 16.453 5.550 4.441) 17.923 35.153 ( -0.850 1.306 -4.630) 4.885 35.495 ( -1.221 -1.767 1.223) 2.472 36.268 ( -11.385 -3.314 -6.523) 13.533 ======================= Grid point 136 (31/84) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 28.027 -5.157 -39.221) 48.481 2.292 ( 8.868 37.337 -25.139) 45.876 3.190 ( 8.363 -0.970 -10.840) 13.725 3.834 ( -19.984 -2.718 -38.024) 43.042 4.341 ( 24.281 5.933 12.660) 28.019 4.939 ( 3.693 1.945 7.889) 8.925 6.129 ( 7.864 20.087 13.460) 25.427 6.592 ( -9.779 -13.203 14.534) 21.936 6.888 ( 10.821 19.073 5.385) 22.581 7.577 ( 11.130 15.668 10.844) 22.067 8.534 ( 12.114 2.306 13.213) 18.074 9.386 ( 17.028 2.164 -10.279) 20.007 9.705 ( -14.297 -13.397 -9.664) 21.847 10.329 ( 2.876 7.155 -1.511) 7.858 10.473 ( 10.206 4.512 3.755) 11.774 11.656 ( -10.929 -5.042 -4.724) 12.930 11.978 ( -1.422 -7.581 6.449) 10.054 12.270 ( -11.632 -11.606 2.817) 16.672 12.657 ( 5.958 -6.517 0.688) 8.857 13.009 ( -11.306 -10.393 -1.596) 15.440 15.022 ( 6.169 20.883 -14.808) 26.333 15.563 ( -21.559 19.347 -17.657) 33.924 19.694 ( 34.661 -23.824 18.189) 45.823 21.143 ( -34.695 -26.988 5.847) 44.343 23.088 ( 1.274 14.346 0.865) 14.428 23.152 ( -1.187 15.534 -0.491) 15.587 23.392 ( 12.185 0.618 -3.831) 12.788 23.793 ( -4.036 0.156 -2.327) 4.662 32.156 ( 1.222 -0.130 -0.477) 1.318 32.198 ( -0.623 0.531 0.885) 1.205 32.258 ( -0.990 0.226 0.207) 1.037 32.262 ( -0.993 1.796 -0.323) 2.078 34.615 ( 15.474 4.270 3.204) 16.369 35.075 ( -7.002 2.008 1.065) 7.362 35.557 ( 7.349 -1.043 -3.937) 8.402 36.019 ( -13.335 -2.124 -5.430) 14.554 ======================= Grid point 137 (32/84) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -18.299 14.087 -31.720) 39.236 2.194 ( 18.299 14.087 -31.720) 39.236 3.427 ( -17.416 -2.015 -33.518) 37.826 3.427 ( 17.416 -2.015 -33.518) 37.826 4.802 ( -17.800 4.168 11.959) 21.845 4.802 ( 17.800 4.168 11.959) 21.845 6.299 ( -13.733 1.895 8.557) 16.291 6.299 ( 13.733 1.895 8.557) 16.291 7.320 ( -25.538 25.134 23.775) 43.002 7.320 ( 25.538 25.134 23.775) 43.002 9.139 ( -33.605 -14.473 -3.491) 36.756 9.139 ( 33.605 -14.473 -3.491) 36.756 9.885 ( -24.064 11.682 -8.383) 28.033 9.885 ( 24.064 11.682 -8.383) 28.033 11.148 ( -34.637 -1.864 3.039) 34.820 11.148 ( 34.637 -1.864 3.039) 34.820 12.079 ( -8.155 -11.646 2.540) 14.442 12.079 ( 8.155 -11.646 2.540) 14.442 12.808 ( -8.929 -9.895 -0.227) 13.330 12.808 ( 8.929 -9.895 -0.227) 13.330 15.214 ( -13.514 21.548 -15.205) 29.634 15.214 ( 13.514 21.548 -15.205) 29.634 20.419 ( -37.482 -25.100 11.357) 46.518 20.419 ( 37.482 -25.100 11.357) 46.518 23.118 ( -1.767 16.360 0.313) 16.458 23.118 ( 1.767 16.360 0.313) 16.458 23.636 ( -11.088 -0.901 -4.336) 11.940 23.636 ( 11.088 -0.901 -4.336) 11.940 32.181 ( -1.160 0.167 0.362) 1.227 32.181 ( 1.160 0.167 0.362) 1.227 32.250 ( -0.195 0.826 -0.349) 0.917 32.250 ( 0.195 0.826 -0.349) 0.917 34.887 ( -11.777 3.042 2.377) 12.394 34.887 ( 11.777 3.042 2.377) 12.394 35.759 ( -12.337 -1.211 -4.802) 13.294 35.759 ( 12.337 -1.211 -4.802) 13.294 ======================= Grid point 145 (33/84) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 9.195 9.195 17.886) 22.113 1.941 ( 5.738 5.738 45.573) 46.290 2.314 ( 29.651 29.651 -21.039) 46.915 4.018 ( 14.621 14.621 10.929) 23.387 4.541 ( 19.923 19.923 -15.144) 31.987 5.109 ( 19.816 19.816 -17.471) 33.024 5.247 ( 22.247 22.247 6.408) 32.109 5.652 ( 14.810 14.810 -0.948) 20.965 7.003 ( -21.913 -21.913 32.372) 44.814 7.760 ( 17.589 17.589 -25.738) 35.794 8.320 ( 4.353 4.353 -17.648) 18.691 9.025 ( 10.161 10.161 19.599) 24.303 9.924 ( -7.592 -7.592 -7.499) 13.096 9.982 ( -4.875 -4.875 9.845) 12.019 10.684 ( -1.004 -1.004 1.640) 2.169 11.537 ( 2.723 2.723 -9.363) 10.124 11.975 ( -1.482 -1.482 5.217) 5.622 12.398 ( -1.573 -1.573 4.433) 4.960 12.800 ( -12.399 -12.399 1.479) 17.598 13.267 ( -12.751 -12.751 -6.015) 19.009 15.184 ( 10.170 10.170 -13.943) 20.032 16.619 ( -1.507 -1.507 -41.877) 41.931 18.447 ( -6.138 -6.138 44.879) 45.711 21.690 ( -25.800 -25.800 -12.157) 38.459 22.881 ( 2.694 2.694 1.916) 4.265 23.300 ( 5.608 5.608 -1.504) 8.072 23.491 ( 7.248 7.248 8.141) 13.090 23.685 ( 8.470 8.470 7.453) 14.107 32.120 ( 0.335 0.335 -1.683) 1.748 32.212 ( -0.078 -0.078 1.433) 1.437 32.298 ( -0.727 -0.727 2.038) 2.283 32.348 ( 1.248 1.248 -1.563) 2.357 34.179 ( 12.131 12.131 4.728) 17.795 35.168 ( 1.740 1.740 -9.396) 9.713 35.499 ( -3.737 -3.737 5.658) 7.743 36.347 ( -7.136 -7.136 -7.341) 12.480 ======================= Grid point 146 (34/84) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -6.612 8.950 10.484) 15.288 2.362 ( 26.794 -17.910 28.262) 42.865 2.940 ( 27.882 29.294 -26.581) 48.395 3.857 ( -16.042 -21.498 -26.926) 38.006 4.690 ( -8.497 36.599 -6.173) 38.077 5.275 ( 10.301 37.637 12.870) 41.089 6.043 ( 37.125 8.948 8.475) 39.117 6.315 ( 30.015 7.776 10.856) 32.851 6.740 ( 12.525 -2.903 19.809) 23.616 7.805 ( -9.140 27.061 -26.327) 38.845 8.616 ( 18.968 -0.291 -9.899) 21.397 9.171 ( 3.004 6.108 8.905) 11.208 9.788 ( -14.259 -6.841 -1.290) 15.868 9.913 ( 12.200 3.085 8.360) 15.108 10.720 ( 1.792 -2.539 0.560) 3.157 11.538 ( -2.197 -2.763 -5.374) 6.430 11.941 ( -2.663 -8.804 4.851) 10.399 12.309 ( -10.811 -6.550 4.150) 13.304 12.516 ( -11.789 -13.855 1.703) 18.271 12.982 ( -15.114 -17.282 -4.371) 23.371 15.371 ( 8.929 22.656 -14.019) 28.099 16.434 ( -15.744 22.355 -31.484) 41.699 18.590 ( 19.718 -24.183 32.224) 44.856 21.154 ( -28.902 -31.533 -7.695) 43.461 23.009 ( 9.871 0.156 0.259) 9.876 23.367 ( 2.130 10.317 -2.713) 10.878 23.572 ( 1.613 13.024 7.695) 15.213 23.832 ( 4.306 4.446 5.740) 8.441 32.128 ( 0.554 -0.462 -0.914) 1.164 32.206 ( -0.462 -0.456 1.185) 1.351 32.280 ( -0.967 -0.234 1.219) 1.573 32.345 ( -1.244 2.312 -1.092) 2.843 34.450 ( 14.709 10.109 3.497) 18.187 35.197 ( 0.184 3.220 -5.149) 6.076 35.450 ( -0.091 -2.580 1.558) 3.015 36.178 ( -9.856 -5.617 -6.440) 13.045 ======================= Grid point 147 (35/84) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 21.038 -20.142 -28.671) 40.869 2.550 ( -17.716 -24.056 -23.315) 37.896 3.319 ( 20.476 10.729 -12.304) 26.187 3.882 ( 14.171 -3.495 -1.159) 14.642 4.478 ( -7.102 29.968 -0.285) 30.800 5.205 ( -18.024 10.465 27.287) 34.336 6.366 ( 13.508 22.152 9.463) 27.618 6.865 ( 16.229 27.835 -8.614) 33.352 7.323 ( 20.242 22.653 7.645) 31.326 7.806 ( 19.688 10.487 -6.769) 23.311 8.634 ( -10.052 6.137 10.077) 15.501 9.387 ( -18.059 -5.135 0.843) 18.794 9.508 ( 22.971 -1.519 -13.715) 26.797 10.401 ( 30.804 0.793 7.076) 31.616 10.609 ( -14.278 7.070 -1.553) 16.008 11.502 ( -3.000 -10.277 -1.377) 10.794 11.796 ( -13.790 -9.749 4.471) 17.470 11.972 ( -14.446 -17.746 5.180) 23.462 12.440 ( 1.204 -15.161 0.009) 15.209 12.705 ( -12.003 -20.006 -1.990) 23.416 15.554 ( 10.005 30.808 -13.380) 35.046 16.089 ( -17.287 32.284 -19.403) 41.444 19.135 ( 33.049 -30.113 16.722) 47.735 20.533 ( -33.715 -32.731 -1.007) 47.001 23.236 ( 11.513 0.573 -2.810) 11.865 23.401 ( 1.275 10.952 -3.382) 11.533 23.589 ( 1.285 14.449 7.102) 16.151 23.826 ( -4.744 3.657 4.038) 7.224 32.143 ( 1.042 -1.042 -0.187) 1.485 32.193 ( -0.947 -0.759 0.749) 1.427 32.265 ( -0.275 0.367 0.278) 0.536 32.311 ( -1.956 2.103 -0.585) 2.932 34.738 ( 13.751 7.995 2.419) 16.089 35.139 ( -5.869 4.517 0.166) 7.408 35.529 ( 7.747 -1.688 -3.244) 8.566 35.962 ( -11.757 -3.602 -5.338) 13.405 ======================= Grid point 148 (36/84) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -34.104 -30.050 -43.537) 62.941 1.956 ( 34.104 -30.050 -43.537) 62.941 3.785 ( -21.121 15.703 -3.369) 26.533 3.785 ( 21.121 15.703 -3.369) 26.533 4.725 ( -25.948 3.247 23.574) 35.207 4.725 ( 25.948 3.247 23.574) 35.207 6.718 ( -18.769 36.432 -11.953) 42.690 6.718 ( 18.769 36.432 -11.953) 42.690 7.806 ( -23.109 21.635 15.866) 35.410 7.806 ( 23.109 21.635 15.866) 35.410 8.858 ( -28.799 -11.582 -2.371) 31.131 8.858 ( 28.799 -11.582 -2.371) 31.131 10.108 ( -30.376 10.032 -6.631) 32.670 10.108 ( 30.376 10.032 -6.631) 32.670 11.088 ( -33.007 -4.475 4.412) 33.600 11.088 ( 33.007 -4.475 4.412) 33.600 11.768 ( -8.178 -18.712 3.612) 20.739 11.768 ( 8.178 -18.712 3.612) 20.739 12.520 ( -6.691 -18.962 -0.549) 20.115 12.520 ( 6.691 -18.962 -0.549) 20.115 15.783 ( -13.385 34.083 -14.298) 39.309 15.783 ( 13.385 34.083 -14.298) 39.309 19.834 ( -36.175 -31.877 6.538) 48.658 19.834 ( 36.175 -31.877 6.538) 48.658 23.391 ( -3.382 7.986 -3.855) 9.491 23.391 ( 3.382 7.986 -3.855) 9.491 23.681 ( -8.017 7.086 5.128) 11.865 23.681 ( 8.017 7.086 5.128) 11.865 32.168 ( -1.380 -1.120 0.304) 1.803 32.168 ( 1.380 -1.120 0.304) 1.803 32.276 ( -1.314 1.281 -0.241) 1.851 32.276 ( 1.314 1.281 -0.241) 1.851 34.978 ( -10.248 6.068 1.595) 12.016 34.978 ( 10.248 6.068 1.595) 12.016 35.727 ( -11.493 -2.023 -4.431) 12.483 35.727 ( 11.493 -2.023 -4.431) 12.483 ======================= Grid point 157 (37/84) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -3.304 -3.304 29.561) 29.927 1.943 ( -4.943 -4.943 40.399) 40.999 3.120 ( -28.344 -28.344 -40.003) 56.630 3.748 ( 27.411 27.411 -32.255) 50.430 5.045 ( -11.165 -11.165 34.826) 38.238 5.857 ( 21.087 21.087 -15.668) 33.687 6.376 ( 11.411 11.411 12.725) 20.550 6.570 ( 37.590 37.590 17.784) 56.056 7.116 ( 35.528 35.528 2.340) 50.299 8.266 ( 6.926 6.926 -18.008) 20.500 8.638 ( 13.361 13.361 -22.344) 29.262 9.153 ( -7.275 -7.275 -6.625) 12.237 9.841 ( -1.055 -1.055 11.335) 11.433 9.898 ( 7.011 7.011 16.412) 19.175 10.685 ( 1.509 1.509 1.252) 2.475 11.489 ( -4.776 -4.776 -3.520) 7.617 11.741 ( -9.833 -9.833 6.003) 15.147 12.106 ( -19.603 -19.603 3.005) 27.885 12.215 ( -10.344 -10.344 1.873) 14.748 12.592 ( -20.744 -20.744 -4.150) 29.628 15.804 ( 20.518 20.518 -12.288) 31.512 16.805 ( 10.594 10.594 -36.152) 39.133 18.286 ( -2.008 -2.008 33.994) 34.112 20.527 ( -31.920 -31.920 -8.758) 45.984 23.082 ( 7.361 7.361 2.482) 10.701 23.501 ( 3.942 3.942 -5.293) 7.688 23.751 ( 5.366 5.366 7.714) 10.821 23.920 ( 2.858 2.858 8.355) 9.281 32.120 ( -0.191 -0.191 -0.243) 0.363 32.195 ( -0.620 -0.620 0.643) 1.087 32.271 ( -0.673 -0.673 0.810) 1.249 32.360 ( -0.747 -0.747 -0.847) 1.354 34.678 ( 12.411 12.411 2.470) 17.725 35.273 ( 3.398 3.398 -5.128) 7.027 35.406 ( -0.748 -0.748 1.745) 2.041 36.047 ( -7.617 -7.617 -5.800) 12.235 ======================= Grid point 158 (38/84) ======================= q-point: ( 0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -8.349 -0.394 6.105) 10.351 1.917 ( -21.100 -30.669 -13.543) 39.613 2.860 ( 16.634 -38.991 21.319) 47.451 4.016 ( -12.953 -11.422 13.047) 21.644 4.894 ( 11.198 23.324 -0.334) 25.875 5.764 ( -17.919 45.142 -11.285) 49.862 6.971 ( 32.452 11.373 4.930) 34.738 7.296 ( 33.834 31.222 -4.812) 46.289 7.847 ( 25.360 31.040 8.339) 40.941 8.152 ( -2.020 19.919 -13.452) 24.121 8.684 ( -14.280 3.209 -11.191) 18.424 9.334 ( 2.522 0.413 -6.537) 7.018 9.589 ( 8.448 8.959 7.131) 14.230 10.340 ( 27.472 -8.286 14.708) 32.244 10.719 ( -5.037 4.748 -2.261) 7.282 11.286 ( -10.760 -11.520 3.997) 16.262 11.575 ( -16.792 -15.953 3.575) 23.437 11.625 ( -18.142 -12.836 2.848) 22.405 12.079 ( -4.265 -20.140 -0.346) 20.589 12.236 ( -13.263 -26.427 -1.891) 29.629 16.178 ( 17.406 31.062 -10.747) 37.193 16.778 ( -10.575 35.455 -21.991) 43.041 18.567 ( 26.922 -25.893 16.280) 40.746 19.879 ( -33.657 -33.038 -5.354) 47.465 23.280 ( 11.538 4.826 1.351) 12.579 23.545 ( 0.381 4.519 -4.674) 6.513 23.809 ( 1.209 7.107 7.059) 10.090 23.912 ( -3.319 3.319 7.836) 9.134 32.125 ( 0.754 -0.608 0.128) 0.978 32.178 ( -1.197 -0.569 0.323) 1.364 32.262 ( 0.127 -0.766 0.297) 0.831 32.326 ( -2.257 -0.571 -0.466) 2.374 34.921 ( 11.620 10.155 1.556) 15.510 35.255 ( -4.634 7.095 -0.795) 8.511 35.489 ( 8.146 -2.506 -2.193) 8.800 35.877 ( -9.531 -5.075 -4.722) 11.785 ======================= Grid point 159 (39/84) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -25.893 -25.187 -27.082) 45.147 1.349 ( 25.893 -25.187 -27.082) 45.147 3.456 ( -34.704 -36.207 41.156) 64.878 3.456 ( 34.704 -36.207 41.156) 64.878 5.328 ( -24.793 43.870 -16.993) 53.179 5.328 ( 24.793 43.870 -16.992) 53.179 7.495 ( -18.520 30.594 -4.096) 35.996 7.495 ( 18.520 30.594 -4.096) 35.996 8.087 ( -21.403 11.649 -10.485) 26.528 8.087 ( 21.403 11.649 -10.485) 26.528 8.847 ( -30.359 13.837 11.304) 35.227 8.847 ( 30.359 13.837 11.304) 35.227 10.256 ( -35.425 3.997 -6.215) 36.188 10.256 ( 35.425 3.997 -6.215) 36.188 10.935 ( -29.482 -12.434 9.191) 33.291 10.935 ( 29.482 -12.434 9.191) 33.291 11.404 ( -9.578 -15.553 3.028) 18.515 11.404 ( 9.578 -15.553 3.028) 18.515 12.074 ( -3.858 -25.213 -0.918) 25.523 12.074 ( 3.858 -25.213 -0.918) 25.523 16.504 ( -15.577 37.496 -12.407) 42.456 16.504 ( 15.577 37.496 -12.407) 42.456 19.199 ( -34.369 -31.759 1.971) 46.837 19.199 ( 34.369 -31.759 1.971) 46.837 23.483 ( -7.370 4.023 -1.908) 8.611 23.483 ( 7.371 4.023 -1.908) 8.611 23.838 ( -2.713 5.834 7.119) 9.595 23.838 ( 2.713 5.834 7.119) 9.595 32.149 ( -1.545 -0.634 0.244) 1.688 32.149 ( 1.545 -0.634 0.244) 1.688 32.283 ( -1.842 -0.721 -0.136) 1.982 32.283 ( 1.842 -0.721 -0.136) 1.982 35.123 ( -8.529 8.353 0.702) 11.959 35.123 ( 8.529 8.353 0.702) 11.959 35.677 ( -10.244 -3.068 -3.605) 11.285 35.677 ( 10.244 -3.068 -3.605) 11.285 ======================= Grid point 169 (40/84) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -9.917 -9.917 -6.918) 15.639 1.679 ( -4.387 -4.387 41.867) 42.324 2.182 ( -12.419 -12.419 24.447) 30.102 3.434 ( -38.400 -38.400 45.193) 70.651 5.532 ( 34.742 34.742 -25.819) 55.504 6.529 ( 12.705 12.705 -22.147) 28.519 6.885 ( 7.995 7.995 -8.838) 14.351 7.947 ( -6.025 -6.025 -9.107) 12.471 8.162 ( 24.595 24.595 9.577) 36.077 8.583 ( 33.252 33.252 0.765) 47.032 9.037 ( 9.060 9.060 -16.874) 21.187 9.410 ( 20.584 20.584 -11.049) 31.137 9.749 ( -3.244 -3.244 14.369) 15.084 10.190 ( 4.988 4.988 21.563) 22.688 10.827 ( 2.929 2.929 -4.139) 5.856 10.920 ( -24.368 -24.368 8.787) 35.564 11.234 ( -20.358 -20.358 6.004) 29.410 11.452 ( -4.429 -4.429 -1.397) 6.418 11.691 ( -19.701 -19.701 -2.259) 27.953 11.766 ( -14.836 -14.836 0.823) 20.997 16.758 ( 27.027 27.027 -8.112) 39.073 17.359 ( 15.516 15.516 -23.500) 32.152 18.214 ( -3.003 -3.003 14.865) 15.460 19.223 ( -33.201 -33.201 -6.534) 47.406 23.424 ( 9.000 9.000 3.233) 13.131 23.613 ( 2.158 2.158 -1.925) 3.609 23.879 ( 0.603 0.603 5.747) 5.810 23.919 ( -2.258 -2.258 6.967) 7.664 32.125 ( 0.629 0.629 0.255) 0.925 32.169 ( -0.571 -0.571 0.211) 0.834 32.243 ( -0.689 -0.689 0.100) 0.979 32.296 ( -2.221 -2.221 -0.311) 3.156 35.124 ( 9.838 9.838 0.726) 13.932 35.396 ( 1.914 1.914 -1.649) 3.169 35.440 ( 2.384 2.384 -1.061) 3.534 35.757 ( -7.056 -7.056 -3.645) 10.623 ======================= Grid point 170 (41/84) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -24.498 12.910 19.272) 33.738 1.195 ( 24.498 12.910 19.272) 33.738 2.648 ( -38.535 -42.681 47.991) 74.898 2.648 ( 38.535 -42.681 47.991) 74.898 6.175 ( -29.005 39.929 -24.212) 54.971 6.175 ( 29.005 39.929 -24.212) 54.971 7.461 ( -31.363 -21.628 -15.050) 40.963 7.461 ( 31.363 -21.628 -15.050) 40.963 8.738 ( -23.204 42.513 -1.632) 48.461 8.738 ( 23.204 42.513 -1.632) 48.461 9.285 ( -28.589 25.249 8.306) 39.037 9.285 ( 28.589 25.249 8.306) 39.037 10.204 ( -37.626 -10.296 -1.819) 39.051 10.204 ( 37.626 -10.296 -1.819) 39.051 10.603 ( -22.985 -18.992 11.886) 32.098 10.603 ( 22.985 -18.992 11.886) 32.098 11.197 ( -15.389 -6.517 0.940) 16.738 11.197 ( 15.389 -6.517 0.940) 16.738 11.588 ( -5.081 -20.696 -0.393) 21.315 11.588 ( 5.081 -20.696 -0.393) 21.315 17.234 ( -19.979 35.609 -9.467) 41.914 17.234 ( 19.979 35.609 -9.467) 41.914 18.576 ( -30.732 -31.269 -2.257) 43.901 18.576 ( 30.732 -31.269 -2.257) 43.901 23.587 ( -5.709 6.205 2.036) 8.674 23.587 ( 5.709 6.205 2.036) 8.674 23.877 ( -0.707 -1.570 5.187) 5.465 23.877 ( 0.707 -1.570 5.187) 5.465 32.147 ( -1.453 0.465 0.283) 1.551 32.147 ( 1.453 0.465 0.283) 1.551 32.253 ( -1.668 -1.952 -0.171) 2.573 32.253 ( 1.668 -1.952 -0.171) 2.573 35.297 ( -7.385 8.778 -0.172) 11.472 35.297 ( 7.385 8.778 -0.172) 11.472 35.599 ( -8.691 -4.944 -2.476) 10.301 35.599 ( 8.691 -4.944 -2.476) 10.301 ======================= Grid point 186 (42/84) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -0.000 -0.000 48.404) 48.404 1.624 ( 0.000 0.000 48.404) 48.404 1.956 ( 0.000 0.000 41.819) 41.819 1.956 ( 0.000 0.000 41.819) 41.819 6.827 ( -0.000 -0.000 -22.472) 22.472 6.827 ( 0.000 0.000 -22.472) 22.472 6.978 ( 0.000 0.000 -21.978) 21.978 6.978 ( 0.000 0.000 -21.978) 21.978 9.431 ( -0.000 -0.000 5.040) 5.040 9.431 ( 0.000 0.000 5.040) 5.040 9.437 ( -0.000 -0.000 2.547) 2.547 9.437 ( 0.000 0.000 2.547) 2.547 10.156 ( -0.000 -0.000 8.064) 8.064 10.156 ( 0.000 0.000 8.064) 8.064 10.218 ( -0.000 -0.000 3.723) 3.723 10.218 ( 0.000 0.000 3.723) 3.723 11.123 ( -0.000 -0.000 1.254) 1.254 11.123 ( 0.000 0.000 1.254) 1.254 11.377 ( -0.000 -0.000 0.638) 0.638 11.377 ( 0.000 0.000 0.638) 0.638 17.826 ( 0.000 0.000 -5.512) 5.512 17.826 ( 0.000 0.000 -5.512) 5.512 18.030 ( -0.000 -0.000 -6.549) 6.549 18.030 ( -0.000 -0.000 -6.549) 6.549 23.678 ( 0.000 0.000 4.932) 4.932 23.678 ( 0.000 0.000 4.932) 4.932 23.831 ( 0.000 0.000 2.845) 2.845 23.831 ( 0.000 0.000 2.845) 2.845 32.157 ( 0.000 0.000 0.413) 0.413 32.157 ( 0.000 0.000 0.413) 0.413 32.227 ( -0.000 -0.000 -0.309) 0.309 32.227 ( 0.000 0.000 -0.309) 0.309 35.432 ( 0.000 0.000 -0.834) 0.834 35.432 ( 0.000 0.000 -0.834) 0.834 35.504 ( 0.000 0.000 -1.652) 1.652 35.504 ( 0.000 0.000 -1.652) 1.652 ======================= Grid point 242 (43/84) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 0.000 34.100) 34.100 1.894 ( 0.000 0.000 33.817) 33.817 2.189 ( 0.000 0.000 39.233) 39.233 2.594 ( 0.000 0.000 39.020) 39.020 3.190 ( 0.000 0.000 8.076) 8.076 3.702 ( 0.000 0.000 5.378) 5.378 5.015 ( -0.000 -0.000 33.018) 33.018 5.738 ( 0.000 0.000 -29.544) 29.544 5.992 ( 0.000 0.000 -45.177) 45.177 7.390 ( -0.000 -0.000 -32.139) 32.139 8.890 ( -0.000 -0.000 12.401) 12.401 8.952 ( 0.000 0.000 25.466) 25.466 10.130 ( 0.000 0.000 -10.095) 10.095 10.231 ( 0.000 0.000 -20.071) 20.071 10.780 ( 0.000 0.000 2.535) 2.535 10.921 ( 0.000 0.000 -0.724) 0.724 11.947 ( 0.000 0.000 14.093) 14.093 12.678 ( 0.000 0.000 11.596) 11.596 12.846 ( 0.000 0.000 -12.477) 12.477 13.233 ( 0.000 0.000 -3.815) 3.815 15.397 ( 0.000 0.000 5.485) 5.485 16.290 ( 0.000 0.000 -27.278) 27.278 19.722 ( 0.000 0.000 48.751) 48.751 22.231 ( 0.000 0.000 -28.483) 28.483 22.876 ( 0.000 0.000 -2.811) 2.811 22.887 ( 0.000 0.000 -1.966) 1.966 23.284 ( 0.000 0.000 4.485) 4.485 23.414 ( -0.000 -0.000 -0.250) 0.250 32.141 ( -0.000 -0.000 0.448) 0.448 32.179 ( 0.000 0.000 -0.683) 0.683 32.220 ( -0.000 -0.000 0.289) 0.289 32.231 ( 0.000 0.000 -0.106) 0.106 33.836 ( 0.000 0.000 13.829) 13.829 34.889 ( 0.000 0.000 -17.499) 17.499 35.996 ( 0.000 0.000 10.010) 10.010 36.461 ( -0.000 -0.000 -4.896) 4.896 ======================= Grid point 243 (44/84) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -27.126 0.000 44.454) 52.077 1.784 ( 2.110 0.000 33.113) 33.180 2.497 ( 38.354 0.000 41.576) 56.565 2.903 ( 20.034 0.000 27.664) 34.157 3.436 ( 20.754 0.000 -4.883) 21.321 3.829 ( 17.918 0.000 8.222) 19.714 4.951 ( -0.932 0.000 13.908) 13.940 5.651 ( -8.143 0.000 -26.908) 28.113 6.169 ( 13.049 0.000 -33.749) 36.183 7.439 ( 6.524 0.000 -29.841) 30.546 8.758 ( -10.149 0.000 25.609) 27.547 9.015 ( 5.014 0.000 17.546) 18.248 10.071 ( -5.866 0.000 -9.857) 11.470 10.250 ( -1.107 0.000 -12.682) 12.730 10.738 ( -1.822 0.000 0.413) 1.868 11.025 ( 8.621 0.000 -6.322) 10.690 11.946 ( 2.085 0.000 12.468) 12.642 12.643 ( -2.813 0.000 9.191) 9.612 12.909 ( 2.515 0.000 -11.419) 11.693 13.280 ( 4.205 0.000 -6.609) 7.833 15.188 ( -17.801 0.000 6.739) 19.034 16.176 ( -11.775 0.000 -29.118) 31.408 19.715 ( -0.129 0.000 47.156) 47.157 22.187 ( -2.212 0.000 -29.225) 29.308 22.862 ( 0.186 0.000 -0.773) 0.795 22.936 ( 2.005 0.000 -3.308) 3.868 23.364 ( 6.159 0.000 5.405) 8.194 23.435 ( 1.537 0.000 3.944) 4.233 32.107 ( -0.792 0.000 1.176) 1.418 32.191 ( -0.278 0.000 -0.599) 0.660 32.237 ( 0.972 0.000 0.257) 1.006 32.292 ( 4.427 0.000 -1.376) 4.636 33.905 ( 6.863 0.000 13.031) 14.728 34.877 ( -0.386 0.000 -15.455) 15.460 35.924 ( -6.718 0.000 9.610) 11.726 36.425 ( -3.749 0.000 -7.365) 8.264 ======================= Grid point 244 (45/84) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -29.131 0.000 43.023) 51.958 1.630 ( -15.011 0.000 26.586) 30.532 2.930 ( 2.604 0.000 7.439) 7.881 3.399 ( 11.462 0.000 24.917) 27.427 3.842 ( 30.021 0.000 1.010) 30.038 4.461 ( 35.451 0.000 4.520) 35.738 5.229 ( 28.378 0.000 -18.007) 33.609 5.532 ( 5.244 0.000 0.086) 5.245 6.338 ( 4.218 0.000 -26.919) 27.247 7.720 ( 20.876 0.000 -22.357) 30.588 8.526 ( -11.862 0.000 30.891) 33.091 9.166 ( 8.822 0.000 17.729) 19.802 9.905 ( -9.256 0.000 -3.780) 9.999 10.129 ( -9.750 0.000 -2.805) 10.145 10.728 ( -1.182 0.000 -3.692) 3.876 11.228 ( 11.483 0.000 -15.408) 19.216 12.047 ( 6.783 0.000 6.680) 9.520 12.587 ( -2.143 0.000 6.940) 7.264 12.883 ( -4.751 0.000 -5.320) 7.133 13.330 ( -0.851 0.000 -9.434) 9.473 14.821 ( -17.062 0.000 3.157) 17.352 15.839 ( -21.145 0.000 -29.476) 36.276 19.765 ( 6.583 0.000 43.647) 44.141 22.169 ( -1.006 0.000 -29.372) 29.390 22.877 ( 1.606 0.000 -0.399) 1.655 22.954 ( 0.150 0.000 -2.984) 2.987 23.300 ( -9.176 0.000 13.642) 16.441 23.597 ( 9.907 0.000 1.727) 10.056 32.111 ( 0.832 0.000 0.963) 1.273 32.185 ( -0.247 0.000 -0.484) 0.544 32.255 ( 0.729 0.000 0.644) 0.972 32.341 ( 0.276 0.000 -0.606) 0.666 34.099 ( 12.423 0.000 11.118) 16.671 34.905 ( 3.519 0.000 -12.529) 13.014 35.755 ( -9.698 0.000 7.695) 12.380 36.310 ( -7.738 0.000 -10.150) 12.764 ======================= Grid point 245 (46/84) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -4.466 0.000 6.080) 7.543 1.337 ( -10.375 0.000 4.078) 11.148 2.869 ( -7.284 0.000 -13.665) 15.485 3.296 ( -15.563 0.000 -27.252) 31.383 4.174 ( 5.646 0.000 8.678) 10.353 5.077 ( -0.658 0.000 -6.645) 6.677 5.532 ( 39.426 0.000 6.996) 40.042 6.407 ( 46.281 0.000 19.029) 50.040 6.509 ( 27.712 0.000 -17.038) 32.531 7.952 ( -7.463 0.000 13.432) 15.366 8.511 ( 17.215 0.000 0.621) 17.227 9.159 ( -12.729 0.000 15.859) 20.335 9.909 ( -11.200 0.000 -9.847) 14.913 9.942 ( 16.130 0.000 7.749) 17.895 10.607 ( -11.684 0.000 -2.428) 11.934 11.456 ( 10.391 0.000 -17.464) 20.322 12.158 ( 3.466 0.000 5.088) 6.157 12.566 ( -1.734 0.000 0.490) 1.802 12.753 ( -6.099 0.000 4.012) 7.300 13.237 ( -7.740 0.000 -6.732) 10.258 14.558 ( -8.844 0.000 -5.066) 10.193 15.387 ( -23.337 0.000 -26.059) 34.981 20.004 ( 17.564 0.000 36.925) 40.890 22.050 ( -13.335 0.000 -17.318) 21.857 22.924 ( 1.039 0.000 -1.570) 1.882 22.983 ( 5.322 0.000 -5.429) 7.602 23.106 ( -8.162 0.000 13.512) 15.785 23.723 ( 1.896 0.000 -3.346) 3.846 32.132 ( 1.129 0.000 0.608) 1.282 32.183 ( 0.078 0.000 -0.329) 0.338 32.261 ( -0.184 0.000 0.603) 0.631 32.315 ( -2.379 0.000 0.280) 2.395 34.379 ( 15.266 0.000 8.974) 17.708 35.009 ( 6.374 0.000 -8.397) 10.542 35.564 ( -8.771 0.000 4.244) 9.744 36.123 ( -10.994 0.000 -10.683) 15.330 ======================= Grid point 246 (47/84) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 22.659 0.000 -34.140) 40.975 1.309 ( 5.305 0.000 -25.206) 25.758 2.669 ( -11.416 0.000 -35.712) 37.492 2.898 ( -21.514 0.000 -50.277) 54.687 4.288 ( 7.547 0.000 3.643) 8.380 4.801 ( -17.492 0.000 -15.452) 23.340 6.421 ( 40.628 0.000 27.931) 49.303 6.859 ( 24.110 0.000 17.937) 30.051 7.451 ( 25.599 0.000 9.670) 27.364 7.654 ( -12.928 0.000 30.281) 32.926 8.843 ( 5.445 0.000 15.623) 16.545 9.010 ( 15.046 0.000 -19.299) 24.471 9.644 ( -14.960 0.000 -13.822) 20.368 10.061 ( -23.807 0.000 -9.014) 25.457 10.625 ( 28.262 0.000 12.472) 30.892 11.561 ( -3.090 0.000 -9.863) 10.336 12.188 ( 0.705 0.000 6.008) 6.049 12.407 ( -11.043 0.000 -0.376) 11.050 12.770 ( 5.720 0.000 4.094) 7.034 13.065 ( -8.753 0.000 -3.419) 9.397 14.485 ( 1.699 0.000 -12.888) 12.999 14.951 ( -19.903 0.000 -21.729) 29.466 20.449 ( 26.760 0.000 27.396) 38.297 21.630 ( -27.510 0.000 2.138) 27.593 22.923 ( -0.115 0.000 -0.294) 0.316 22.974 ( -3.494 0.000 4.934) 6.046 23.196 ( 12.703 0.000 -9.202) 15.685 23.666 ( -7.314 0.000 -8.287) 11.053 32.156 ( 1.300 0.000 0.423) 1.367 32.187 ( 0.195 0.000 0.011) 0.196 32.249 ( -0.856 0.000 0.057) 0.858 32.264 ( -2.343 0.000 0.034) 2.343 34.682 ( 14.761 0.000 7.230) 16.437 35.089 ( -1.237 0.000 0.891) 1.525 35.470 ( 1.745 0.000 -4.097) 4.454 35.883 ( -12.916 0.000 -9.876) 16.259 ======================= Grid point 247 (48/84) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -12.813 0.000 -34.287) 36.603 1.289 ( 12.813 0.000 -34.287) 36.603 2.579 ( -6.836 0.000 -53.835) 54.268 2.579 ( 6.836 0.000 -53.835) 54.268 4.491 ( -13.031 0.000 -6.113) 14.394 4.491 ( 13.031 0.000 -6.113) 14.394 7.048 ( -20.846 0.000 25.539) 32.967 7.048 ( 20.846 0.000 25.539) 32.967 7.497 ( -18.733 0.000 30.294) 35.618 7.497 ( 18.733 0.000 30.294) 35.618 9.273 ( -26.761 0.000 -10.760) 28.843 9.273 ( 26.761 0.000 -10.760) 28.843 9.435 ( -29.045 0.000 -10.789) 30.984 9.435 ( 29.045 0.000 -10.789) 30.984 11.241 ( -27.551 0.000 4.272) 27.881 11.241 ( 27.551 0.000 4.272) 27.881 12.243 ( -5.380 0.000 1.854) 5.691 12.243 ( 5.380 0.000 1.854) 5.691 12.904 ( -7.446 0.000 -0.146) 7.447 12.904 ( 7.446 0.000 -0.146) 7.447 14.626 ( -12.232 0.000 -17.977) 21.744 14.626 ( 12.232 0.000 -17.977) 21.744 21.033 ( -31.086 0.000 16.215) 35.062 21.033 ( 31.086 0.000 16.215) 35.062 22.931 ( -1.058 0.000 1.580) 1.901 22.931 ( 1.058 0.000 1.580) 1.901 23.459 ( -12.747 0.000 -10.877) 16.757 23.459 ( 12.747 0.000 -10.877) 16.757 32.181 ( -1.006 0.000 0.460) 1.106 32.181 ( 1.006 0.000 0.460) 1.106 32.238 ( -0.159 0.000 -0.437) 0.465 32.238 ( 0.159 0.000 -0.437) 0.465 34.946 ( -11.324 0.000 5.983) 12.808 34.946 ( 11.324 0.000 5.983) 12.808 35.629 ( -11.940 0.000 -8.770) 14.814 35.629 ( 11.940 0.000 -8.770) 14.814 ======================= Grid point 254 (49/84) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -17.762 -17.762 45.727) 52.172 2.094 ( 15.598 15.598 32.699) 39.444 2.445 ( 15.939 15.939 42.808) 48.380 3.314 ( 28.269 28.269 15.362) 42.829 3.723 ( 25.126 25.126 -9.703) 36.835 3.870 ( 8.031 8.031 13.131) 17.361 4.867 ( -4.712 -4.712 -6.972) 9.644 5.512 ( -6.356 -6.356 -10.429) 13.768 6.438 ( 18.141 18.141 -31.480) 40.610 7.436 ( 1.492 1.492 -28.882) 28.959 8.643 ( -10.384 -10.384 27.803) 31.443 9.069 ( 5.770 5.770 18.070) 19.827 10.019 ( -5.612 -5.612 -10.931) 13.508 10.249 ( -1.140 -1.140 -6.390) 6.590 10.744 ( -0.597 -0.597 -0.394) 0.931 11.073 ( 6.015 6.015 -8.715) 12.178 11.971 ( 3.060 3.060 10.472) 11.331 12.630 ( -1.528 -1.528 9.262) 9.510 12.933 ( 0.478 0.478 -11.331) 11.351 13.295 ( 1.070 1.070 -8.343) 8.479 15.069 ( -10.399 -10.399 5.246) 15.614 16.094 ( -8.474 -8.474 -30.814) 33.063 19.648 ( -5.114 -5.114 46.569) 47.127 22.036 ( -11.195 -11.195 -27.551) 31.777 22.857 ( 0.700 0.700 0.593) 1.154 23.012 ( 4.311 4.311 -4.367) 7.499 23.451 ( 8.064 8.064 5.572) 12.693 23.504 ( 4.594 4.594 6.436) 9.145 32.096 ( -0.206 -0.206 1.118) 1.155 32.223 ( 0.978 0.978 1.119) 1.779 32.243 ( 1.067 1.067 -2.172) 2.645 32.313 ( 1.928 1.928 -0.829) 2.850 33.970 ( 6.483 6.483 12.239) 15.292 34.876 ( 0.383 0.383 -14.312) 14.322 35.863 ( -5.806 -5.806 9.019) 12.197 36.383 ( -4.102 -4.102 -8.675) 10.437 ======================= Grid point 255 (50/84) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -16.622 3.866 26.600) 31.603 1.946 ( -18.825 30.152 31.467) 47.473 3.014 ( 17.333 4.601 22.982) 29.151 3.738 ( 14.347 13.808 14.949) 24.899 3.918 ( -0.710 16.828 -21.083) 26.985 4.440 ( 34.877 8.647 7.815) 36.773 5.087 ( 31.093 -7.661 -19.446) 37.465 5.622 ( 23.315 7.152 15.520) 28.907 6.627 ( -0.629 24.941 -31.570) 40.238 7.625 ( 17.743 -9.205 -19.447) 27.888 8.400 ( -11.953 -11.477 26.152) 30.960 9.239 ( 9.595 6.783 18.401) 21.833 9.870 ( -7.368 -4.881 -8.960) 12.585 10.144 ( -9.762 2.671 3.284) 10.640 10.736 ( -0.131 -0.233 -1.614) 1.636 11.239 ( 9.434 1.982 -14.321) 17.263 12.063 ( 5.346 1.404 6.645) 8.643 12.587 ( -2.355 -0.908 8.064) 8.449 12.874 ( -6.563 -1.612 -6.456) 9.347 13.279 ( -3.844 -5.417 -9.259) 11.396 14.851 ( -10.049 3.174 -0.262) 10.541 15.846 ( -15.977 0.525 -31.394) 35.230 19.598 ( 1.904 -14.360 43.468) 45.818 21.832 ( -9.658 -25.647 -25.070) 37.142 22.891 ( 3.101 1.203 1.075) 3.496 23.064 ( 1.224 8.012 -4.043) 9.058 23.513 ( -2.896 15.105 10.686) 18.728 23.658 ( 9.719 6.283 3.965) 12.233 32.105 ( 0.902 -0.096 0.880) 1.264 32.223 ( -0.351 2.034 0.109) 2.067 32.266 ( 0.816 1.580 -0.689) 1.907 32.338 ( -0.076 -0.276 -0.138) 0.318 34.155 ( 11.864 5.552 10.347) 16.692 34.914 ( 3.743 1.126 -12.100) 12.716 35.715 ( -8.594 -3.888 7.212) 11.873 36.267 ( -7.526 -4.148 -10.394) 13.487 ======================= Grid point 256 (51/84) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 1.161 27.553 2.109) 27.658 1.592 ( -10.436 23.322 3.387) 25.774 2.964 ( -17.029 0.079 -22.301) 28.059 3.514 ( -20.761 19.990 -32.070) 43.117 4.267 ( 21.242 9.497 24.960) 34.124 4.960 ( 15.978 3.270 11.850) 20.160 5.786 ( 31.746 15.835 -7.196) 36.199 6.435 ( 42.399 5.096 5.950) 43.117 6.654 ( 19.252 13.673 -8.158) 24.983 7.791 ( -7.933 -14.349 20.697) 26.404 8.429 ( 19.207 -7.010 -10.110) 22.809 9.252 ( -10.390 5.243 10.288) 15.533 9.829 ( -9.481 -4.399 -4.046) 11.208 10.006 ( 12.016 5.623 9.175) 16.130 10.670 ( -8.121 4.706 -1.931) 9.583 11.422 ( 8.619 -2.662 -14.758) 17.296 12.139 ( 1.377 -2.226 5.465) 6.059 12.540 ( -4.298 -3.281 3.142) 6.254 12.701 ( -8.073 -5.288 1.556) 9.775 13.142 ( -9.053 -9.583 -6.504) 14.700 14.708 ( -3.907 14.570 -7.468) 16.832 15.493 ( -18.692 10.575 -27.492) 34.886 19.759 ( 14.348 -21.856 35.753) 44.292 21.598 ( -15.352 -34.401 -16.247) 41.025 22.997 ( 7.724 1.176 -0.954) 7.871 23.079 ( 0.627 10.803 -2.507) 11.108 23.409 ( -6.342 22.439 9.749) 25.274 23.781 ( 1.769 6.007 -0.463) 6.280 32.127 ( 1.305 -0.130 0.653) 1.465 32.216 ( -0.329 1.754 -0.246) 1.801 32.271 ( -0.373 1.526 -0.013) 1.571 32.311 ( -2.290 -0.333 0.445) 2.356 34.423 ( 14.688 4.438 8.257) 17.424 35.019 ( 6.247 1.073 -8.330) 10.467 35.546 ( -7.727 -1.783 4.080) 8.917 36.089 ( -10.367 -3.283 -10.601) 15.187 ======================= Grid point 257 (52/84) ======================= q-point: ( 0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 9.165 9.843 -14.310) 19.638 1.648 ( 6.491 27.694 -33.859) 44.221 2.551 ( -16.132 -14.186 -47.088) 51.757 3.095 ( -22.067 27.786 -33.563) 48.842 4.619 ( 14.970 29.471 11.079) 34.863 5.070 ( -4.197 19.390 0.685) 19.850 6.242 ( 20.364 -2.971 10.507) 23.107 6.916 ( 10.345 -13.298 10.283) 19.739 7.343 ( 19.520 8.669 30.833) 37.508 7.779 ( 21.152 2.932 12.472) 24.730 8.728 ( 1.394 -5.356 -2.204) 5.957 9.169 ( 14.591 6.860 -10.047) 18.997 9.495 ( -19.942 -7.178 -4.672) 21.704 10.219 ( -15.901 11.418 -8.514) 21.347 10.648 ( 24.081 2.184 12.355) 27.153 11.525 ( -1.576 -3.377 -8.823) 9.577 12.112 ( -2.865 -7.469 6.351) 10.214 12.323 ( -13.076 -8.278 1.582) 15.556 12.690 ( 4.218 -8.206 2.877) 9.665 12.958 ( -8.879 -10.730 -3.472) 14.354 14.706 ( 3.776 21.197 -13.289) 25.302 15.136 ( -16.625 18.258 -22.067) 33.116 20.148 ( 24.089 -26.897 24.588) 43.684 21.202 ( -24.253 -34.771 -2.123) 42.446 23.096 ( 1.574 12.914 -0.247) 13.011 23.160 ( 4.562 4.319 0.466) 6.300 23.332 ( 2.322 20.731 0.116) 20.861 23.722 ( -7.337 6.100 -4.741) 10.655 32.156 ( 1.637 -0.030 0.526) 1.720 32.211 ( -0.232 1.185 0.182) 1.221 32.251 ( -1.473 0.757 -0.369) 1.697 32.264 ( -1.900 0.386 0.091) 1.941 34.715 ( 14.168 3.303 6.587) 15.969 35.098 ( -0.951 1.003 0.317) 1.418 35.466 ( 1.993 -0.327 -3.685) 4.202 35.862 ( -12.217 -1.969 -9.670) 15.705 ======================= Grid point 258 (53/84) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -23.550 0.413 -37.680) 44.436 1.429 ( 23.550 0.413 -37.680) 44.436 2.648 ( -20.645 17.886 -43.190) 51.103 2.648 ( 20.645 17.886 -43.190) 51.103 4.887 ( -12.209 33.516 -0.456) 35.673 4.887 ( 12.209 33.516 -0.456) 35.673 6.681 ( -22.202 -23.111 24.336) 40.240 6.681 ( 22.202 -23.111 24.336) 40.240 7.812 ( -21.464 18.813 23.085) 36.709 7.812 ( 21.464 18.813 23.085) 36.709 9.001 ( -25.986 -15.324 -10.901) 32.077 9.001 ( 25.986 -15.324 -10.901) 32.077 9.695 ( -29.761 15.057 -8.672) 34.462 9.695 ( 29.761 15.057 -8.672) 34.462 11.229 ( -26.749 -1.215 4.502) 27.153 11.229 ( 26.749 -1.215 4.502) 27.153 12.134 ( -5.904 -10.513 2.465) 12.306 12.134 ( 5.904 -10.513 2.465) 12.306 12.802 ( -6.792 -10.264 -0.388) 12.314 12.802 ( 6.792 -10.264 -0.388) 12.314 14.856 ( -11.188 22.236 -17.610) 30.491 14.856 ( 11.188 22.236 -17.610) 30.491 20.674 ( -27.839 -31.101 11.846) 43.389 20.674 ( 27.839 -31.101 11.846) 43.389 23.140 ( -2.785 14.540 2.181) 14.964 23.140 ( 2.785 14.540 2.181) 14.964 23.520 ( -11.990 7.702 -6.641) 15.722 23.520 ( 11.990 7.702 -6.641) 15.722 32.191 ( -1.752 0.251 0.673) 1.893 32.191 ( 1.752 0.251 0.673) 1.893 32.239 ( -0.618 0.776 -0.640) 1.180 32.239 ( 0.618 0.776 -0.640) 1.180 34.966 ( -10.660 2.085 5.331) 12.099 34.966 ( 10.660 2.085 5.331) 12.099 35.621 ( -11.417 -0.764 -8.399) 14.195 35.621 ( 11.417 -0.764 -8.399) 14.195 ======================= Grid point 266 (54/84) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 13.995 13.995 -13.217) 23.799 2.433 ( -1.947 -1.947 20.339) 20.524 2.951 ( 4.736 4.736 48.529) 48.989 3.597 ( -16.681 -16.681 -31.181) 39.100 4.586 ( 27.672 27.672 -6.539) 39.677 4.785 ( 23.950 23.950 -3.620) 34.064 5.335 ( 34.283 34.283 6.151) 48.872 5.864 ( 23.756 23.756 16.836) 37.579 7.127 ( 14.658 14.658 -30.827) 37.149 7.428 ( -2.730 -2.730 -6.063) 7.188 8.146 ( -10.850 -10.850 12.421) 19.741 9.361 ( 0.754 0.754 7.174) 7.253 9.773 ( 0.380 0.380 -1.292) 1.399 10.187 ( -1.098 -1.098 8.594) 8.733 10.718 ( -0.325 -0.325 1.559) 1.625 11.311 ( 4.357 4.357 -13.040) 14.423 12.086 ( 0.368 0.368 6.597) 6.618 12.532 ( -4.437 -4.437 7.432) 9.726 12.780 ( -8.615 -8.615 -4.184) 12.882 13.108 ( -11.444 -11.444 -8.397) 18.233 14.947 ( 6.261 6.261 -6.581) 11.033 15.846 ( -1.012 -1.012 -33.569) 33.599 19.328 ( -9.876 -9.876 41.604) 43.886 21.338 ( -23.104 -23.104 -22.136) 39.467 22.930 ( 3.270 3.270 2.818) 5.415 23.197 ( 4.832 4.832 -6.005) 9.097 23.738 ( 6.511 6.511 11.556) 14.776 23.826 ( 8.977 8.977 6.024) 14.052 32.111 ( 0.577 0.577 0.825) 1.160 32.233 ( -0.387 -0.387 0.441) 0.703 32.308 ( 1.596 1.596 -1.689) 2.818 32.329 ( -0.654 -0.654 0.650) 1.130 34.315 ( 10.420 10.420 8.516) 17.019 34.960 ( 3.773 3.773 -10.780) 12.028 35.614 ( -5.833 -5.833 5.944) 10.167 36.157 ( -6.740 -6.740 -10.676) 14.312 ======================= Grid point 267 (55/84) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 3.920 27.860 -2.867) 28.281 2.075 ( -11.335 13.982 -18.934) 26.125 2.702 ( -28.093 -6.777 -16.120) 33.091 3.802 ( 25.021 -20.279 24.654) 40.560 4.519 ( -6.501 43.685 -7.872) 44.862 5.623 ( 18.046 38.380 18.578) 46.301 5.902 ( 41.556 8.121 -13.866) 44.555 6.699 ( 39.316 17.017 16.682) 45.974 7.007 ( -1.043 18.263 -9.129) 20.445 7.515 ( -4.221 -5.827 12.513) 14.434 8.267 ( 25.572 -8.688 -18.855) 32.938 9.184 ( -14.341 -12.641 -12.270) 22.715 9.890 ( -3.443 10.778 14.426) 18.334 10.145 ( 8.930 7.442 11.776) 16.547 10.729 ( -0.717 0.406 0.658) 1.054 11.385 ( 3.137 -0.513 -10.120) 10.607 12.053 ( -4.322 -6.741 6.193) 10.123 12.419 ( -8.797 -8.861 5.151) 13.507 12.535 ( -13.108 -11.645 0.042) 17.534 12.863 ( -12.237 -18.075 -6.578) 22.798 15.090 ( 7.958 22.362 -10.659) 26.019 15.785 ( -5.435 17.710 -30.095) 35.340 19.279 ( 5.463 -23.432 33.803) 41.491 20.904 ( -21.547 -33.856 -16.869) 43.532 23.036 ( 7.488 3.441 2.276) 8.549 23.270 ( 3.030 7.490 -5.344) 9.687 23.785 ( -0.901 14.004 10.726) 17.663 23.944 ( 1.992 8.974 4.685) 10.317 32.126 ( 0.917 -0.110 0.759) 1.195 32.220 ( -0.799 -0.758 0.039) 1.102 32.304 ( -1.661 -0.333 0.891) 1.914 32.319 ( -0.547 2.241 -1.162) 2.583 34.554 ( 13.124 8.569 6.553) 16.988 35.060 ( 5.810 3.287 -7.966) 10.393 35.501 ( -5.085 -2.581 3.711) 6.804 36.003 ( -8.737 -5.095 -10.196) 14.361 ======================= Grid point 268 (56/84) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -17.781 7.406 11.255) 22.309 1.792 ( -31.558 -11.405 -32.868) 46.971 2.680 ( 28.065 32.980 -41.342) 59.871 3.843 ( -19.807 34.949 -21.313) 45.475 4.785 ( 30.077 -8.753 34.699) 46.747 5.709 ( -5.559 35.885 19.262) 41.105 6.526 ( 10.124 -3.705 -4.003) 11.500 6.634 ( -8.283 29.864 -3.434) 31.181 7.537 ( 17.380 0.406 9.781) 19.947 7.829 ( 41.921 10.260 11.568) 44.682 8.624 ( -4.388 -8.411 -10.458) 14.119 9.097 ( 12.633 -6.807 -22.224) 26.454 9.612 ( -11.579 13.986 16.553) 24.570 10.433 ( -4.597 9.681 -5.489) 12.041 10.701 ( 13.799 2.527 11.743) 18.295 11.438 ( 0.317 -5.144 -5.486) 7.527 11.909 ( -9.481 -12.442 6.246) 16.844 12.089 ( -17.719 -14.985 5.013) 23.742 12.444 ( 0.515 -16.390 0.669) 16.411 12.647 ( -9.274 -20.281 -3.615) 22.592 15.259 ( 9.093 32.705 -13.064) 36.373 15.637 ( -8.986 30.961 -22.566) 39.351 19.529 ( 18.727 -32.882 20.352) 42.966 20.457 ( -23.857 -38.320 -7.068) 45.689 23.210 ( 9.016 3.753 0.164) 9.767 23.325 ( 2.352 8.482 -3.487) 9.468 23.746 ( -1.714 17.300 7.483) 18.927 23.901 ( -5.638 10.408 2.846) 12.174 32.147 ( 1.295 -0.814 0.627) 1.653 32.203 ( -1.031 -1.197 0.108) 1.584 32.272 ( -1.171 0.658 0.298) 1.376 32.297 ( -1.507 2.032 -0.680) 2.620 34.814 ( 12.564 6.629 5.025) 15.068 35.137 ( -0.305 3.147 -0.995) 3.315 35.459 ( 2.683 -0.402 -2.568) 3.735 35.813 ( -10.403 -2.912 -8.928) 14.015 ======================= Grid point 269 (57/84) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -17.649 -9.737 -18.033) 27.046 1.239 ( 17.649 -9.737 -18.033) 27.046 3.308 ( -31.433 39.861 -37.007) 62.820 3.308 ( 31.433 39.861 -37.007) 62.820 5.379 ( -26.181 1.604 32.828) 42.020 5.379 ( 26.181 1.604 32.828) 42.020 6.556 ( -3.167 23.746 -3.128) 24.159 6.556 ( 3.167 23.746 -3.128) 24.159 8.007 ( -21.948 -3.216 1.347) 22.223 8.007 ( 21.948 -3.216 1.347) 22.223 8.842 ( -28.947 3.337 2.153) 29.218 8.842 ( 28.947 3.337 2.153) 29.218 9.964 ( -31.642 11.705 -6.573) 34.372 9.964 ( 31.642 11.705 -6.573) 34.372 11.193 ( -24.704 -2.505 5.257) 25.381 11.193 ( 24.704 -2.505 5.257) 25.381 11.854 ( -6.261 -17.008 4.327) 18.633 11.854 ( 6.261 -17.008 4.327) 18.633 12.503 ( -5.184 -19.705 -1.156) 20.408 12.503 ( 5.184 -19.705 -1.156) 20.408 15.447 ( -9.800 35.741 -16.432) 40.540 15.447 ( 9.800 35.741 -16.432) 40.540 19.970 ( -24.476 -37.534 5.855) 45.190 19.970 ( 24.476 -37.534 5.855) 45.190 23.335 ( -2.495 6.412 -1.552) 7.053 23.335 ( 2.495 6.412 -1.552) 7.053 23.774 ( -5.203 14.482 3.712) 15.830 23.774 ( 5.203 14.482 3.712) 15.830 32.176 ( -1.555 -1.276 0.445) 2.060 32.176 ( 1.555 -1.276 0.445) 2.060 32.270 ( -0.909 1.505 -0.363) 1.795 32.270 ( 0.909 1.505 -0.363) 1.795 35.032 ( -8.981 4.664 3.721) 10.782 35.032 ( 8.981 4.664 3.721) 10.782 35.603 ( -10.112 -0.967 -7.261) 12.487 35.603 ( 10.112 -0.967 -7.261) 12.487 ======================= Grid point 278 (58/84) ======================= q-point: ( 0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -29.301 -29.301 -27.596) 49.786 2.330 ( 18.835 18.835 -18.866) 32.641 3.037 ( 7.711 7.711 28.387) 30.410 3.337 ( 3.657 3.657 18.657) 19.360 5.419 ( 12.618 12.618 -18.169) 25.466 5.535 ( 7.453 7.453 -0.476) 10.551 6.598 ( 8.702 8.702 15.172) 19.535 7.053 ( 27.348 27.348 22.923) 44.959 7.213 ( 25.614 25.614 8.916) 37.305 7.864 ( 17.424 17.424 -19.680) 31.536 8.185 ( 12.443 12.443 -20.718) 27.183 8.857 ( -17.042 -17.042 -20.385) 31.566 10.102 ( 2.258 2.258 13.429) 13.803 10.287 ( 11.168 11.168 18.614) 24.412 10.715 ( -0.069 -0.069 2.220) 2.222 11.392 ( 0.087 0.087 -6.419) 6.420 11.870 ( -11.603 -11.603 6.229) 17.551 12.190 ( -16.399 -16.399 4.484) 23.621 12.249 ( -14.591 -14.591 0.826) 20.651 12.477 ( -18.671 -18.671 -6.288) 27.144 15.540 ( 22.067 22.067 -11.173) 33.147 16.127 ( 14.763 14.763 -29.676) 36.284 18.926 ( -10.366 -10.366 28.902) 32.407 20.277 ( -29.594 -29.594 -15.508) 44.634 23.146 ( 7.638 7.638 3.535) 11.366 23.387 ( 4.831 4.831 -5.212) 8.593 23.958 ( 3.968 3.968 10.419) 11.834 24.072 ( 2.949 2.949 6.243) 7.508 32.124 ( 0.084 0.084 0.778) 0.787 32.201 ( -0.996 -0.996 -0.187) 1.420 32.291 ( -1.042 -1.042 0.971) 1.765 32.339 ( -0.326 -0.326 -1.079) 1.173 34.752 ( 11.022 11.022 4.732) 16.290 35.149 ( 5.321 5.321 -6.865) 10.186 35.451 ( -2.173 -2.173 3.021) 4.310 35.890 ( -6.390 -6.390 -9.154) 12.863 ======================= Grid point 279 (59/84) ======================= q-point: ( 0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -8.794 -12.007 -11.859) 19.030 2.054 ( -36.674 30.923 35.465) 59.657 3.322 ( 30.594 17.294 -14.355) 37.962 3.894 ( 25.911 -12.659 13.122) 31.683 5.068 ( -15.272 25.066 -4.237) 29.656 5.715 ( -17.853 -10.882 16.897) 26.882 6.820 ( 25.975 -3.982 -15.506) 30.512 7.351 ( 10.175 47.225 6.289) 48.716 7.819 ( -7.171 36.904 -11.881) 39.427 8.073 ( 22.269 6.995 2.799) 23.509 8.412 ( 9.260 -3.192 -10.269) 14.191 9.050 ( 36.075 0.878 -15.415) 39.240 9.903 ( -14.762 13.902 17.466) 26.763 10.599 ( 5.055 6.876 0.362) 8.541 10.710 ( 5.779 -2.332 11.043) 12.680 11.340 ( -4.650 -4.297 0.040) 6.332 11.633 ( -10.995 -15.578 3.515) 19.388 11.751 ( -23.011 -18.267 7.519) 30.327 12.056 ( -5.451 -22.161 -2.137) 22.922 12.184 ( -10.790 -24.829 -2.923) 27.229 15.936 ( 17.422 34.256 -11.037) 39.986 16.302 ( 1.997 34.307 -22.562) 41.110 18.910 ( 8.798 -28.425 16.316) 33.935 19.720 ( -26.693 -35.681 -9.987) 45.666 23.323 ( 9.375 7.696 2.683) 12.422 23.467 ( 2.889 6.611 -2.881) 7.769 23.978 ( -0.720 6.240 8.329) 10.431 24.058 ( -3.670 4.138 5.963) 8.134 32.132 ( 0.781 -0.493 0.645) 1.126 32.181 ( -1.110 -0.818 -0.124) 1.385 32.271 ( -0.552 -0.792 0.551) 1.112 32.314 ( -1.832 -0.409 -0.707) 2.006 34.970 ( 10.491 8.867 3.282) 14.122 35.226 ( 0.415 5.751 -2.403) 6.246 35.447 ( 3.387 -0.867 -1.016) 3.641 35.748 ( -7.960 -3.715 -7.515) 11.560 ======================= Grid point 280 (60/84) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -30.955 20.785 26.992) 46.030 1.331 ( 30.955 20.785 26.992) 46.030 3.907 ( -22.939 10.623 -9.273) 26.926 3.907 ( 22.939 10.623 -9.273) 26.926 5.198 ( -25.988 -1.512 16.619) 30.884 5.198 ( 25.988 -1.512 16.619) 30.884 7.314 ( -17.392 22.130 -16.000) 32.376 7.314 ( 17.392 22.130 -16.000) 32.376 7.858 ( -14.017 11.037 -9.195) 20.071 7.858 ( 14.017 11.037 -9.195) 20.071 9.091 ( -31.613 17.717 11.102) 37.901 9.091 ( 31.613 17.717 11.102) 37.901 10.144 ( -34.347 6.082 -4.297) 35.145 10.144 ( 34.347 6.082 -4.297) 35.145 11.118 ( -22.029 -5.934 7.645) 24.061 11.118 ( 22.029 -5.934 7.645) 24.061 11.496 ( -4.735 -17.835 5.940) 19.385 11.496 ( 4.735 -17.835 5.940) 19.385 12.041 ( -3.617 -25.853 -2.454) 26.219 12.041 ( 3.617 -25.853 -2.454) 26.219 16.214 ( -10.020 40.358 -14.214) 43.946 16.214 ( 10.020 40.358 -14.214) 43.946 19.231 ( -21.845 -36.725 0.862) 42.740 19.231 ( 21.845 -36.725 0.862) 42.740 23.467 ( -3.816 7.661 0.200) 8.561 23.467 ( 3.816 7.661 0.200) 8.561 23.983 ( -2.309 5.591 6.398) 8.805 23.983 ( 2.309 5.591 6.398) 8.805 32.155 ( -1.411 -0.660 0.335) 1.593 32.155 ( 1.411 -0.660 0.335) 1.593 32.279 ( -1.337 -0.665 -0.200) 1.507 32.279 ( 1.337 -0.665 -0.200) 1.507 35.149 ( -7.106 6.972 1.871) 10.129 35.149 ( 7.106 6.972 1.871) 10.129 35.581 ( -8.507 -1.503 -5.486) 10.234 35.581 ( 8.507 -1.503 -5.486) 10.234 ======================= Grid point 290 (61/84) ======================= q-point: ( 0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 27.627 27.627 31.777) 50.361 2.622 ( 2.053 2.053 45.145) 45.238 3.030 ( -4.339 -4.339 47.865) 48.257 4.020 ( -1.256 -1.256 0.746) 1.926 5.149 ( 5.723 5.723 0.729) 8.127 5.967 ( 9.754 9.754 -31.817) 34.679 6.540 ( -3.071 -3.071 -21.264) 21.703 7.600 ( -25.896 -25.896 -24.887) 44.279 8.419 ( 31.766 31.766 12.523) 46.636 8.592 ( 31.702 31.702 0.950) 44.843 8.786 ( 23.774 23.774 -6.812) 34.305 9.199 ( 25.423 25.423 -9.679) 37.234 10.052 ( -3.753 -3.753 14.584) 15.519 10.615 ( -1.623 -1.623 16.710) 16.867 10.729 ( 2.217 2.217 -2.443) 3.975 11.123 ( -22.169 -22.169 9.986) 32.903 11.369 ( -10.664 -10.664 3.550) 15.493 11.421 ( -10.275 -10.275 1.368) 14.595 11.624 ( -17.436 -17.436 -4.407) 25.049 11.769 ( -15.088 -15.088 -0.744) 21.351 16.572 ( 28.871 28.871 -8.555) 41.717 16.902 ( 22.463 22.463 -20.291) 37.695 18.463 ( -13.773 -13.773 10.086) 21.935 19.048 ( -31.824 -31.824 -10.043) 46.113 23.502 ( 9.522 9.522 3.927) 14.027 23.594 ( 5.753 5.753 -0.071) 8.136 24.017 ( -1.202 -1.202 6.968) 7.172 24.059 ( -3.250 -3.250 6.063) 7.608 32.133 ( 0.631 0.631 0.597) 1.074 32.172 ( -0.374 -0.374 -0.089) 0.536 32.247 ( -1.124 -1.124 0.374) 1.634 32.287 ( -2.047 -2.047 -0.561) 2.949 35.149 ( 8.654 8.654 1.774) 12.366 35.342 ( 3.811 3.811 -3.492) 6.422 35.430 ( 0.704 0.704 0.333) 1.050 35.659 ( -5.381 -5.381 -5.625) 9.463 ======================= Grid point 291 (62/84) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -41.773 38.857 48.085) 74.612 1.958 ( 41.773 38.857 48.085) 74.612 3.589 ( -33.663 -33.881 39.512) 61.986 3.589 ( 33.663 -33.881 39.512) 61.986 5.592 ( -30.244 33.604 -28.438) 53.410 5.592 ( 30.244 33.604 -28.438) 53.410 6.996 ( -32.536 -30.582 -29.410) 53.468 6.996 ( 32.536 -30.582 -29.410) 53.468 8.737 ( -8.897 51.470 1.009) 52.243 8.737 ( 8.897 51.470 1.009) 52.243 9.445 ( -29.453 15.965 6.602) 34.146 9.445 ( 29.453 15.965 6.602) 34.146 10.193 ( -36.397 -0.522 0.534) 36.405 10.193 ( 36.397 -0.522 0.534) 36.405 10.857 ( -10.964 -23.018 11.600) 28.010 10.857 ( 10.964 -23.018 11.600) 28.010 11.234 ( -5.603 -7.137 3.088) 9.585 11.234 ( 5.603 -7.137 3.088) 9.585 11.565 ( -6.301 -18.624 -2.211) 19.785 11.565 ( 6.301 -18.624 -2.211) 19.785 17.012 ( -12.114 39.546 -10.947) 42.784 17.012 ( 12.114 39.546 -10.947) 42.784 18.513 ( -18.851 -35.944 -3.555) 40.742 18.513 ( 18.851 -35.944 -3.555) 40.742 23.642 ( -2.646 9.704 3.018) 10.501 23.642 ( 2.646 9.704 3.018) 10.501 23.995 ( -1.005 -3.752 5.703) 6.900 23.995 ( 1.005 -3.752 5.703) 6.900 32.155 ( -1.293 0.627 0.402) 1.492 32.155 ( 1.293 0.627 0.402) 1.492 32.249 ( -1.348 -2.128 -0.263) 2.532 32.249 ( 1.348 -2.128 -0.263) 2.532 35.296 ( -5.884 7.507 0.217) 9.540 35.296 ( 5.884 7.507 0.217) 9.540 35.535 ( -6.934 -3.328 -3.516) 8.457 35.535 ( 6.934 -3.328 -3.516) 8.457 ======================= Grid point 307 (63/84) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -0.000 -0.000 51.851) 51.851 2.675 ( 0.000 0.000 51.851) 51.851 2.911 ( 0.000 0.000 48.197) 48.197 2.911 ( 0.000 0.000 48.197) 48.197 6.235 ( -0.000 -0.000 -33.577) 33.577 6.235 ( 0.000 0.000 -33.577) 33.577 6.394 ( 0.000 0.000 -33.658) 33.658 6.394 ( 0.000 0.000 -33.658) 33.658 9.491 ( -0.000 -0.000 2.527) 2.527 9.491 ( 0.000 0.000 2.527) 2.527 9.521 ( -0.000 -0.000 3.097) 3.097 9.521 ( 0.000 0.000 3.097) 3.097 10.319 ( -0.000 -0.000 5.620) 5.620 10.319 ( -0.000 -0.000 5.620) 5.620 10.334 ( 0.000 0.000 7.979) 7.979 10.334 ( 0.000 0.000 7.979) 7.979 11.170 ( 0.000 0.000 3.556) 3.556 11.170 ( 0.000 0.000 3.556) 3.556 11.384 ( -0.000 -0.000 -0.297) 0.297 11.384 ( 0.000 0.000 -0.297) 0.297 17.702 ( 0.000 0.000 -5.659) 5.659 17.702 ( 0.000 0.000 -5.659) 5.659 17.862 ( -0.000 -0.000 -9.106) 9.106 17.862 ( -0.000 -0.000 -9.106) 9.106 23.798 ( -0.000 -0.000 6.190) 6.190 23.798 ( 0.000 0.000 6.190) 6.190 23.897 ( -0.000 -0.000 3.089) 3.089 23.897 ( 0.000 0.000 3.089) 3.089 32.169 ( 0.000 0.000 0.731) 0.731 32.169 ( 0.000 0.000 0.731) 0.731 32.218 ( -0.000 -0.000 -0.604) 0.604 32.218 ( 0.000 0.000 -0.604) 0.604 35.413 ( -0.000 -0.000 -0.849) 0.849 35.413 ( 0.000 0.000 -0.849) 0.849 35.462 ( -0.000 -0.000 -2.249) 2.249 35.462 ( 0.000 0.000 -2.249) 2.249 ======================= Grid point 363 (64/84) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.000 0.000 23.603) 23.603 2.445 ( 0.000 0.000 21.032) 21.032 2.536 ( 0.000 0.000 -4.029) 4.029 2.763 ( 0.000 0.000 -9.902) 9.902 3.924 ( 0.000 0.000 50.791) 50.791 4.167 ( 0.000 0.000 38.236) 38.236 4.954 ( 0.000 0.000 -48.391) 48.391 5.011 ( 0.000 0.000 -40.879) 40.879 5.838 ( 0.000 0.000 38.482) 38.482 6.652 ( 0.000 0.000 -39.494) 39.494 9.218 ( 0.000 0.000 18.436) 18.436 9.374 ( -0.000 -0.000 12.559) 12.559 9.826 ( 0.000 0.000 -15.484) 15.484 9.887 ( 0.000 0.000 -13.058) 13.058 10.834 ( 0.000 0.000 2.774) 2.774 10.887 ( 0.000 0.000 -2.315) 2.315 12.253 ( 0.000 0.000 15.629) 15.629 12.566 ( 0.000 0.000 -14.856) 14.856 12.914 ( 0.000 0.000 11.115) 11.115 13.111 ( -0.000 -0.000 -8.032) 8.032 15.554 ( 0.000 0.000 10.396) 10.396 15.836 ( 0.000 0.000 -17.752) 17.752 20.684 ( -0.000 -0.000 45.458) 45.458 21.544 ( 0.000 0.000 -38.665) 38.665 22.842 ( 0.000 0.000 -0.527) 0.527 22.851 ( -0.000 -0.000 -1.304) 1.304 23.359 ( -0.000 -0.000 2.834) 2.834 23.400 ( -0.000 -0.000 -1.271) 1.271 32.152 ( 0.000 0.000 0.603) 0.603 32.165 ( 0.000 0.000 -0.682) 0.682 32.225 ( 0.000 0.000 0.202) 0.202 32.228 ( 0.000 0.000 -0.142) 0.142 34.157 ( 0.000 0.000 17.332) 17.332 34.523 ( 0.000 0.000 -18.344) 18.344 36.184 ( 0.000 0.000 8.525) 8.525 36.341 ( 0.000 0.000 -6.880) 6.880 ======================= Grid point 364 (65/84) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -4.890 0.000 20.956) 21.519 2.364 ( -9.250 0.000 18.836) 20.985 3.048 ( 44.605 0.000 1.885) 44.644 3.092 ( 26.869 0.000 -1.508) 26.911 3.590 ( -9.970 0.000 33.230) 34.693 4.338 ( -5.871 0.000 11.104) 12.560 4.532 ( -3.943 0.000 -13.589) 14.149 5.281 ( 2.469 0.000 -39.268) 39.345 6.008 ( 17.093 0.000 31.558) 35.890 6.747 ( 11.314 0.000 -37.062) 38.750 9.252 ( -0.509 0.000 22.076) 22.082 9.368 ( 2.114 0.000 13.972) 14.131 9.834 ( -4.647 0.000 -11.880) 12.757 9.900 ( 7.209 0.000 -18.225) 19.599 10.797 ( -3.477 0.000 4.555) 5.731 10.903 ( 0.692 0.000 -5.670) 5.712 12.238 ( -0.658 0.000 15.500) 15.514 12.552 ( -1.565 0.000 -14.629) 14.713 12.933 ( 1.372 0.000 10.193) 10.285 13.131 ( 1.461 0.000 -8.621) 8.744 15.373 ( -16.644 0.000 11.849) 20.431 15.686 ( -14.315 0.000 -19.426) 24.130 20.652 ( -2.155 0.000 44.481) 44.533 21.497 ( -3.011 0.000 -38.302) 38.420 22.856 ( 1.233 0.000 0.397) 1.295 22.881 ( 1.755 0.000 -2.028) 2.682 23.446 ( 7.405 0.000 2.734) 7.894 23.473 ( 5.725 0.000 0.120) 5.726 32.139 ( -0.265 0.000 1.782) 1.802 32.172 ( -0.011 0.000 -1.308) 1.308 32.245 ( 1.586 0.000 0.605) 1.697 32.263 ( 2.976 0.000 -1.245) 3.226 34.206 ( 5.008 0.000 16.203) 16.959 34.546 ( 2.558 0.000 -16.862) 17.055 36.107 ( -7.335 0.000 8.527) 11.248 36.272 ( -6.491 0.000 -7.784) 10.135 ======================= Grid point 365 (66/84) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -26.789 0.000 38.443) 46.856 2.147 ( -16.555 0.000 17.727) 24.255 2.941 ( -21.423 0.000 -1.856) 21.503 3.216 ( -29.510 0.000 -26.219) 39.475 4.365 ( 48.726 0.000 32.514) 58.579 4.567 ( 13.003 0.000 9.354) 16.018 4.777 ( 44.936 0.000 -14.309) 47.159 5.232 ( 5.474 0.000 -34.970) 35.396 6.437 ( 25.302 0.000 30.833) 39.886 7.129 ( 25.683 0.000 -33.698) 42.369 9.108 ( -11.532 0.000 25.042) 27.570 9.447 ( -1.604 0.000 -0.931) 1.855 9.797 ( 5.700 0.000 4.465) 7.241 10.042 ( 3.741 0.000 -9.849) 10.536 10.712 ( -4.316 0.000 3.778) 5.736 10.902 ( 0.170 0.000 -14.294) 14.295 12.252 ( 2.079 0.000 12.411) 12.584 12.512 ( -2.048 0.000 -11.859) 12.035 12.942 ( -0.894 0.000 9.356) 9.399 13.141 ( -1.078 0.000 -9.532) 9.593 14.982 ( -20.775 0.000 12.417) 24.203 15.322 ( -20.824 0.000 -21.147) 29.679 20.649 ( 2.799 0.000 42.687) 42.778 21.475 ( 0.915 0.000 -38.092) 38.103 22.878 ( 1.035 0.000 0.590) 1.191 22.903 ( 0.615 0.000 -1.911) 2.007 23.513 ( -1.660 0.000 7.222) 7.411 23.601 ( 5.017 0.000 -1.727) 5.306 32.142 ( 0.408 0.000 1.722) 1.770 32.171 ( -0.033 0.000 -0.994) 0.995 32.274 ( 1.058 0.000 1.377) 1.737 32.310 ( 1.172 0.000 -1.989) 2.308 34.355 ( 9.866 0.000 13.600) 16.802 34.636 ( 6.752 0.000 -13.786) 15.351 35.918 ( -11.012 0.000 8.557) 13.946 36.105 ( -9.866 0.000 -9.806) 13.910 ======================= Grid point 366 (67/84) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -31.003 0.000 46.372) 55.781 1.708 ( -26.671 0.000 23.513) 35.556 2.456 ( -30.235 0.000 -27.720) 41.018 2.523 ( -33.801 0.000 -37.945) 50.817 4.423 ( -3.870 0.000 14.210) 14.727 4.752 ( -12.028 0.000 -18.233) 21.842 5.824 ( 62.057 0.000 16.813) 64.295 6.162 ( 58.428 0.000 -16.257) 60.648 7.006 ( 32.485 0.000 34.094) 47.092 7.676 ( 27.401 0.000 -29.378) 40.173 8.850 ( -13.329 0.000 24.024) 27.474 9.258 ( -14.221 0.000 -12.227) 18.755 9.897 ( -10.995 0.000 10.434) 15.158 10.044 ( 3.505 0.000 -0.458) 3.535 10.648 ( 1.302 0.000 9.625) 9.712 11.018 ( 12.416 0.000 -23.398) 26.488 12.298 ( 1.760 0.000 8.248) 8.434 12.470 ( -2.767 0.000 -7.964) 8.431 12.901 ( -2.631 0.000 8.947) 9.326 13.080 ( -4.774 0.000 -8.412) 9.672 14.605 ( -16.314 0.000 9.299) 18.779 14.909 ( -19.991 0.000 -20.008) 28.283 20.773 ( 9.517 0.000 37.896) 39.073 21.506 ( 1.092 0.000 -33.255) 33.273 22.904 ( 1.441 0.000 -0.189) 1.453 22.918 ( 1.700 0.000 -1.622) 2.350 23.397 ( -9.053 0.000 13.291) 16.081 23.613 ( -4.005 0.000 -7.862) 8.824 32.153 ( 0.668 0.000 1.217) 1.388 32.173 ( 0.298 0.000 -0.703) 0.764 32.278 ( -0.703 0.000 1.138) 1.338 32.304 ( -1.637 0.000 -1.176) 2.016 34.587 ( 13.129 0.000 11.048) 17.159 34.812 ( 10.662 0.000 -10.754) 15.144 35.692 ( -11.456 0.000 8.328) 14.164 35.894 ( -11.245 0.000 -11.191) 15.864 ======================= Grid point 367 (68/84) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -16.568 0.000 33.518) 37.389 1.184 ( -22.761 0.000 17.990) 29.012 1.783 ( -30.840 0.000 -48.697) 57.641 1.930 ( -28.776 0.000 -43.260) 51.957 4.380 ( -0.196 0.000 5.684) 5.688 4.535 ( -8.632 0.000 -10.086) 13.275 6.881 ( 42.158 0.000 16.945) 45.436 7.086 ( 32.430 0.000 -1.112) 32.449 7.736 ( 37.579 0.000 22.709) 43.907 8.106 ( 11.455 0.000 0.849) 11.487 8.674 ( 0.244 0.000 0.417) 0.483 8.959 ( -13.587 0.000 -12.442) 18.424 9.550 ( -19.540 0.000 9.787) 21.854 9.830 ( -23.073 0.000 -13.694) 26.831 10.932 ( 22.723 0.000 17.284) 28.549 11.289 ( 11.319 0.000 -16.546) 20.047 12.296 ( -2.129 0.000 4.602) 5.070 12.373 ( -6.874 0.000 -2.884) 7.455 12.870 ( 0.071 0.000 5.403) 5.403 12.977 ( -4.870 0.000 -4.981) 6.966 14.367 ( -6.983 0.000 2.036) 7.274 14.556 ( -14.948 0.000 -15.646) 21.638 21.009 ( 13.634 0.000 26.518) 29.817 21.470 ( -5.655 0.000 -17.116) 18.026 22.932 ( 1.976 0.000 1.440) 2.445 22.989 ( 4.380 0.000 -3.929) 5.884 23.217 ( -6.788 0.000 10.996) 12.922 23.462 ( -10.281 0.000 -11.621) 15.516 32.169 ( 1.021 0.000 0.804) 1.299 32.183 ( 0.654 0.000 -0.429) 0.782 32.252 ( -1.643 0.000 0.284) 1.667 32.260 ( -2.374 0.000 -0.400) 2.408 34.855 ( 13.397 0.000 9.364) 16.345 35.032 ( 10.267 0.000 -6.903) 12.372 35.480 ( -9.110 0.000 5.834) 10.817 35.664 ( -11.883 0.000 -10.962) 16.167 ======================= Grid point 368 (69/84) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -14.161 0.000 3.857) 14.677 0.833 ( 14.161 0.000 3.857) 14.677 1.500 ( -7.990 0.000 -49.667) 50.305 1.500 ( 7.990 0.000 -49.667) 50.305 4.415 ( -3.729 0.000 -1.652) 4.079 4.415 ( 3.729 0.000 -1.652) 4.079 7.390 ( -5.916 0.000 8.254) 10.155 7.390 ( 5.916 0.000 8.254) 10.155 8.150 ( -3.528 0.000 31.391) 31.588 8.150 ( 3.528 0.000 31.391) 31.588 8.829 ( -7.169 0.000 -26.641) 27.589 8.829 ( 7.169 0.000 -26.641) 27.589 9.374 ( -12.613 0.000 -0.344) 12.618 9.374 ( 12.613 0.000 -0.344) 12.618 11.315 ( -11.090 0.000 2.328) 11.332 11.315 ( 11.090 0.000 2.328) 11.332 12.267 ( -1.802 0.000 0.525) 1.878 12.267 ( 1.802 0.000 0.525) 1.878 12.901 ( -2.782 0.000 -0.108) 2.785 12.901 ( 2.782 0.000 -0.108) 2.785 14.348 ( -5.218 0.000 -7.713) 9.312 14.348 ( 5.218 0.000 -7.713) 9.312 21.280 ( -12.698 0.000 6.805) 14.406 21.280 ( 12.698 0.000 6.805) 14.406 22.990 ( -3.525 0.000 3.716) 5.122 22.990 ( 3.525 0.000 3.716) 5.122 23.252 ( -9.244 0.000 -7.914) 12.169 23.252 ( 9.244 0.000 -7.914) 12.169 32.190 ( -0.535 0.000 0.309) 0.618 32.190 ( 0.535 0.000 0.309) 0.618 32.229 ( -0.149 0.000 -0.290) 0.326 32.229 ( 0.149 0.000 -0.290) 0.326 35.083 ( -7.529 0.000 6.147) 9.720 35.083 ( 7.529 0.000 6.147) 9.720 35.448 ( -7.884 0.000 -7.415) 10.823 35.448 ( 7.884 0.000 -7.415) 10.823 ======================= Grid point 375 (70/84) ======================= q-point: ( 0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -12.050 -12.050 41.157) 44.546 2.733 ( 15.363 15.363 29.537) 36.667 3.019 ( 16.738 16.738 -2.544) 23.807 3.203 ( 16.305 16.305 -11.481) 25.758 3.565 ( 7.108 7.108 6.591) 12.020 4.121 ( -15.354 -15.354 -31.399) 38.176 4.670 ( 15.544 15.544 35.408) 41.676 5.462 ( 9.155 9.155 -29.967) 32.645 6.121 ( 12.179 12.179 20.802) 27.007 6.768 ( 4.838 4.838 -35.073) 35.734 9.193 ( -7.320 -7.320 24.309) 26.422 9.410 ( 4.268 4.268 10.886) 12.447 9.783 ( -3.783 -3.783 -8.200) 9.791 9.975 ( 6.990 6.990 -18.136) 20.655 10.792 ( -1.118 -1.118 4.798) 5.052 10.914 ( 1.063 1.063 -6.930) 7.091 12.240 ( 0.545 0.545 15.174) 15.193 12.556 ( -0.128 -0.128 -14.792) 14.793 12.930 ( -0.450 -0.450 9.781) 9.801 13.129 ( -0.475 -0.475 -8.927) 8.953 15.245 ( -11.773 -11.773 12.177) 20.628 15.574 ( -10.649 -10.649 -20.570) 25.494 20.564 ( -6.977 -6.977 43.164) 44.277 21.380 ( -9.197 -9.197 -36.685) 38.922 22.880 ( 2.092 2.092 1.788) 3.457 22.932 ( 3.315 3.315 -3.344) 5.759 23.541 ( 8.431 8.431 3.108) 12.321 23.570 ( 7.665 7.665 0.542) 10.853 32.135 ( 0.006 0.006 2.460) 2.460 32.189 ( 0.714 0.714 -2.734) 2.915 32.254 ( 1.231 1.231 1.616) 2.376 32.287 ( 1.878 1.878 -1.594) 3.098 34.252 ( 4.704 4.704 15.161) 16.556 34.569 ( 2.549 2.549 -15.654) 16.064 36.039 ( -6.521 -6.521 8.458) 12.513 36.210 ( -5.931 -5.931 -8.447) 11.904 ======================= Grid point 376 (71/84) ======================= q-point: ( 0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -33.820 -16.634 45.534) 59.109 2.556 ( -20.666 27.532 14.440) 37.331 2.949 ( -27.014 -0.460 -16.644) 31.733 3.284 ( -16.084 27.059 -27.400) 41.733 4.239 ( 51.002 -12.286 24.530) 57.913 4.635 ( 50.836 -2.847 -11.354) 52.167 4.933 ( 14.755 28.134 23.618) 39.585 5.581 ( 6.698 26.729 -29.524) 40.386 6.457 ( 22.498 3.446 22.648) 32.109 7.064 ( 24.959 -5.634 -31.729) 40.761 8.970 ( -14.404 -12.834 26.446) 32.734 9.395 ( -8.805 -7.123 -11.786) 16.346 9.829 ( 10.738 5.054 13.049) 17.639 10.113 ( 4.274 6.502 -9.000) 11.897 10.748 ( -2.752 2.742 4.531) 5.969 10.938 ( 1.626 3.421 -13.500) 14.021 12.264 ( 1.650 0.861 12.434) 12.572 12.532 ( -2.340 1.025 -12.372) 12.633 12.902 ( -2.703 -3.937 9.052) 10.234 13.096 ( -3.277 -4.694 -9.194) 10.831 14.968 ( -14.674 -1.004 11.365) 18.587 15.304 ( -15.449 -1.522 -21.704) 26.684 20.456 ( -2.593 -16.541 40.480) 43.806 21.221 ( -5.974 -20.899 -34.459) 40.741 22.925 ( 2.602 3.540 2.266) 4.944 22.984 ( 2.111 5.701 -3.568) 7.049 23.670 ( 1.506 13.030 4.692) 13.931 23.709 ( 5.885 9.899 0.618) 11.532 32.141 ( 0.548 0.183 2.439) 2.506 32.194 ( -0.035 1.426 -2.446) 2.831 32.281 ( 1.021 0.811 1.672) 2.121 32.317 ( 0.657 0.604 -1.642) 1.869 34.393 ( 9.397 3.930 12.729) 16.302 34.657 ( 6.554 2.316 -13.026) 14.765 35.871 ( -9.845 -4.568 8.358) 13.698 36.057 ( -9.036 -4.579 -9.954) 14.202 ======================= Grid point 377 (72/84) ======================= q-point: ( 0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -25.994 -10.229 31.945) 42.436 2.016 ( -32.352 3.030 -1.743) 32.541 2.295 ( -34.947 10.050 -7.422) 37.113 2.891 ( -23.880 37.528 -32.123) 54.868 4.750 ( 5.162 26.708 20.231) 33.901 5.056 ( 0.858 24.033 -7.209) 25.106 5.760 ( 49.176 -1.830 10.365) 50.290 6.109 ( 46.218 -1.944 -20.205) 50.479 7.069 ( 38.776 5.391 29.088) 48.773 7.654 ( 31.930 -2.100 -25.936) 41.190 8.657 ( -15.963 -16.969 24.978) 34.157 9.130 ( -16.173 -12.953 -18.911) 28.053 9.991 ( -7.490 8.912 13.387) 17.741 10.133 ( 4.665 7.728 0.908) 9.073 10.709 ( 1.028 5.259 8.844) 10.341 11.045 ( 10.305 2.596 -20.741) 23.304 12.284 ( -0.356 -1.903 8.454) 8.673 12.462 ( -5.077 -1.569 -8.207) 9.777 12.827 ( -4.206 -7.401 8.573) 12.082 12.996 ( -6.334 -8.577 -7.785) 13.202 14.710 ( -10.516 10.715 7.696) 16.871 15.000 ( -14.614 9.232 -20.087) 26.500 20.481 ( 5.022 -25.410 34.563) 43.192 21.131 ( -4.070 -30.999 -28.572) 42.354 22.996 ( 5.004 5.301 0.817) 7.335 23.028 ( 2.605 8.201 -2.194) 8.880 23.607 ( -7.089 18.259 8.687) 21.426 23.739 ( -3.227 11.919 -4.114) 13.015 32.155 ( 0.827 0.236 1.856) 2.045 32.194 ( 0.114 1.255 -1.727) 2.138 32.283 ( -0.825 0.739 1.090) 1.554 32.305 ( -1.719 0.245 -0.857) 1.937 34.615 ( 12.622 2.963 10.296) 16.556 34.827 ( 10.255 1.682 -10.244) 14.592 35.668 ( -10.292 -2.292 7.993) 13.231 35.864 ( -10.347 -2.905 -10.914) 15.317 ======================= Grid point 378 (73/84) ======================= q-point: ( 0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -1.266 14.442 0.501) 14.506 1.388 ( -27.015 -1.562 -0.549) 27.065 1.668 ( -23.165 15.590 -11.952) 30.372 2.337 ( -31.190 35.911 -41.148) 62.894 4.806 ( 2.527 39.880 8.219) 40.796 4.969 ( -5.822 38.597 -7.829) 39.811 6.603 ( 34.555 -20.805 20.288) 45.150 6.924 ( 29.344 -17.258 -9.223) 35.270 7.895 ( 39.450 13.247 23.254) 47.672 8.152 ( 8.637 -1.676 15.327) 17.672 8.478 ( 6.015 -11.389 -9.618) 16.074 8.813 ( -12.359 -14.317 -23.641) 30.276 9.681 ( -18.074 12.619 16.317) 27.426 9.995 ( -19.144 12.900 -13.506) 26.746 10.948 ( 20.453 1.475 16.554) 26.354 11.281 ( 10.419 -0.735 -15.082) 18.346 12.229 ( -5.052 -6.721 5.097) 9.832 12.312 ( -9.538 -6.322 -2.684) 11.753 12.773 ( -0.702 -9.798 4.926) 10.989 12.873 ( -5.387 -10.498 -4.698) 12.700 14.571 ( -3.281 19.914 0.971) 20.206 14.743 ( -10.883 18.420 -15.165) 26.224 20.636 ( 9.965 -32.103 22.544) 40.474 21.026 ( -7.102 -36.443 -14.836) 39.982 23.098 ( 4.654 10.694 0.782) 11.689 23.131 ( 8.321 5.533 -2.276) 10.248 23.433 ( -9.162 22.516 8.071) 25.613 23.598 ( -10.077 13.992 -7.439) 18.779 32.175 ( 1.287 0.257 1.235) 1.801 32.201 ( 0.666 0.912 -1.082) 1.564 32.253 ( -2.119 0.505 0.417) 2.218 32.262 ( -2.283 0.511 -0.355) 2.366 34.873 ( 12.813 1.911 8.627) 15.565 35.038 ( 9.683 0.698 -6.527) 11.698 35.477 ( -8.108 -0.183 5.435) 9.763 35.650 ( -11.026 -1.205 -10.442) 15.234 ======================= Grid point 379 (74/84) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -7.238 14.465 8.056) 18.070 1.033 ( 7.238 14.465 8.056) 18.070 1.734 ( -25.618 26.787 -43.212) 56.931 1.734 ( 25.619 26.787 -43.212) 56.931 4.870 ( -4.088 42.155 -0.540) 42.356 4.870 ( 4.088 42.155 -0.540) 42.356 7.094 ( -12.263 -24.360 12.526) 30.012 7.094 ( 12.263 -24.360 12.526) 30.012 8.235 ( -7.923 -2.962 18.072) 19.954 8.235 ( 7.923 -2.962 18.072) 19.954 8.702 ( -14.658 -0.992 -16.542) 22.124 8.702 ( 14.658 -0.992 -16.542) 22.124 9.577 ( -14.992 15.072 -2.776) 21.439 9.577 ( 14.992 15.072 -2.776) 21.439 11.306 ( -10.664 -0.968 2.369) 10.966 11.306 ( 10.664 -0.968 2.369) 10.966 12.169 ( -2.337 -9.395 0.862) 9.720 12.169 ( 2.337 -9.395 0.862) 9.720 12.794 ( -2.580 -10.755 -0.275) 11.064 12.794 ( 2.580 -10.755 -0.275) 11.064 14.585 ( -4.635 22.856 -7.524) 24.505 14.585 ( 4.635 22.856 -7.524) 24.505 20.847 ( -10.501 -36.289 4.530) 38.048 20.847 ( 10.501 -36.289 4.530) 38.048 23.208 ( -5.088 8.100 3.896) 10.328 23.208 ( 5.088 8.100 3.896) 10.328 23.387 ( -8.981 19.948 -5.615) 22.586 23.387 ( 8.981 19.948 -5.615) 22.586 32.207 ( -1.746 0.233 0.839) 1.951 32.207 ( 1.746 0.233 0.839) 1.951 32.224 ( -1.271 0.811 -0.818) 1.715 32.224 ( 1.271 0.811 -0.818) 1.715 35.087 ( -6.799 0.592 5.346) 8.669 35.087 ( 6.799 0.592 5.346) 8.669 35.451 ( -7.188 0.355 -6.729) 9.853 35.451 ( 7.188 0.355 -6.729) 9.853 ======================= Grid point 387 (75/84) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -25.447 -25.447 29.864) 46.764 2.215 ( -36.032 -36.032 -39.627) 64.552 3.502 ( 10.091 10.091 24.593) 28.433 3.810 ( 11.924 11.924 16.996) 23.943 4.289 ( 22.009 22.009 -4.067) 31.390 4.637 ( 22.714 22.714 -17.643) 36.649 5.653 ( 34.299 34.299 23.265) 53.797 6.085 ( 24.871 24.871 -7.707) 36.008 6.661 ( 15.570 15.570 -0.995) 22.042 7.021 ( 8.887 8.887 -25.032) 28.010 8.645 ( -18.879 -18.879 27.814) 38.555 9.152 ( -16.285 -16.285 -20.875) 31.083 10.012 ( 12.189 12.189 16.742) 24.030 10.250 ( 5.682 5.682 -4.381) 9.153 10.788 ( 1.128 1.128 7.132) 7.308 11.020 ( 4.420 4.420 -14.477) 15.769 12.266 ( -1.224 -1.224 11.078) 11.212 12.509 ( -3.937 -3.937 -11.128) 12.443 12.790 ( -7.360 -7.360 7.579) 12.875 12.952 ( -9.634 -9.634 -7.564) 15.583 14.965 ( 1.198 1.198 8.442) 8.610 15.278 ( -0.824 -0.824 -22.032) 22.063 20.124 ( -14.515 -14.515 36.582) 41.948 20.804 ( -19.203 -19.203 -30.154) 40.580 22.996 ( 3.932 3.932 3.714) 6.688 23.084 ( 4.384 4.384 -4.969) 7.945 23.899 ( 7.750 7.750 4.143) 11.717 23.914 ( 8.777 8.777 2.271) 12.619 32.148 ( 0.393 0.393 2.636) 2.694 32.207 ( -0.056 -0.056 -2.762) 2.763 32.304 ( 1.058 1.058 1.058) 1.833 32.326 ( 0.066 0.066 -0.847) 0.852 34.513 ( 8.136 8.136 10.636) 15.669 34.736 ( 5.808 5.808 -11.173) 13.867 35.753 ( -6.899 -6.899 7.944) 12.582 35.939 ( -6.951 -6.951 -10.284) 14.227 ======================= Grid point 388 (76/84) ======================= q-point: ( 0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 3.381 4.547 -10.377) 11.823 1.497 ( -32.323 -32.090 -35.703) 57.873 3.062 ( -33.880 43.997 37.263) 66.874 3.768 ( -22.355 41.115 -27.548) 54.306 4.851 ( 37.102 -11.076 34.252) 51.696 5.488 ( 40.619 -5.896 -25.827) 48.494 6.031 ( 11.871 46.937 20.292) 52.495 6.480 ( 5.021 41.567 -23.817) 48.169 7.180 ( 46.262 5.073 20.598) 50.894 7.595 ( 39.416 -3.967 -16.921) 43.078 8.267 ( -16.863 -20.421 23.221) 35.222 8.787 ( -19.583 -20.267 -24.327) 37.229 10.196 ( -1.651 10.412 12.116) 16.060 10.313 ( 4.466 9.650 1.911) 10.804 10.814 ( 2.702 4.612 10.391) 11.685 11.116 ( 6.024 4.376 -15.965) 17.616 12.199 ( -5.906 -7.147 8.234) 12.400 12.374 ( -9.649 -7.856 -8.024) 14.806 12.617 ( -9.290 -13.390 6.703) 17.622 12.742 ( -10.464 -16.657 -5.564) 20.443 15.018 ( 3.941 19.505 4.473) 20.396 15.269 ( -0.351 17.314 -19.682) 26.216 19.929 ( -4.890 -27.452 29.892) 40.879 20.482 ( -13.614 -31.905 -24.342) 42.377 23.094 ( 6.089 5.226 3.305) 8.678 23.171 ( 4.634 6.303 -4.321) 8.937 23.955 ( -1.721 13.969 5.453) 15.094 24.002 ( -0.238 12.097 0.601) 12.114 32.156 ( 0.458 -0.192 2.081) 2.139 32.200 ( -0.430 -0.540 -1.920) 2.040 32.309 ( -0.667 1.375 0.111) 1.533 32.313 ( -1.384 0.311 -0.029) 1.419 34.708 ( 11.194 6.440 8.430) 15.422 34.886 ( 9.041 4.461 -8.903) 13.450 35.610 ( -7.275 -3.296 7.222) 10.768 35.790 ( -8.011 -4.253 -10.189) 13.641 ======================= Grid point 389 (77/84) ======================= q-point: ( 0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.449 -2.899 -0.783) 3.036 1.551 ( 25.516 29.969 -31.541) 50.439 2.359 ( -32.290 41.340 31.506) 61.190 3.177 ( -34.957 44.373 -40.319) 69.401 5.506 ( 26.749 6.417 31.140) 41.550 5.904 ( 4.867 52.277 -4.336) 52.682 6.374 ( 16.729 -0.283 0.574) 16.742 6.552 ( 6.449 0.329 -10.545) 12.365 7.834 ( -4.493 -22.180 20.362) 30.443 8.145 ( 22.598 1.731 10.399) 24.936 8.329 ( 11.010 -6.431 -10.838) 16.734 8.632 ( 26.433 2.700 -22.385) 34.743 9.967 ( -16.276 14.668 16.575) 27.473 10.254 ( -14.644 12.397 -11.595) 22.418 10.986 ( 14.991 2.163 14.997) 21.315 11.265 ( 7.492 -0.713 -11.590) 13.819 12.035 ( -9.753 -12.679 5.800) 17.015 12.124 ( -14.305 -12.443 -2.049) 19.070 12.486 ( -3.153 -18.949 3.533) 19.531 12.567 ( -6.780 -19.946 -4.091) 21.460 15.108 ( 4.764 32.738 -0.525) 33.087 15.251 ( -1.788 31.475 -14.072) 34.524 19.922 ( 3.684 -37.256 17.918) 41.505 20.244 ( -10.785 -39.937 -13.520) 43.521 23.230 ( 7.016 5.900 1.528) 9.293 23.268 ( 4.785 7.300 -2.208) 9.004 23.872 ( -5.093 18.272 4.645) 19.528 23.926 ( -6.225 15.575 -0.621) 16.784 32.168 ( 0.743 -0.905 1.279) 1.734 32.193 ( -0.279 -1.187 -1.038) 1.602 32.278 ( -1.627 1.185 0.353) 2.044 32.286 ( -1.501 1.569 -0.424) 2.212 34.936 ( 11.206 4.556 6.779) 13.867 35.070 ( 8.227 2.762 -5.638) 10.349 35.475 ( -5.623 0.027 4.611) 7.272 35.623 ( -8.784 -1.451 -9.073) 12.711 ======================= Grid point 390 (78/84) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -29.093 28.788 31.309) 51.531 1.445 ( 29.093 28.788 31.309) 51.531 2.454 ( -34.969 41.609 -42.473) 68.979 2.454 ( 34.969 41.609 -42.473) 68.979 5.861 ( -9.142 47.093 12.077) 49.469 5.861 ( 9.142 47.093 12.077) 49.469 6.587 ( -6.458 -19.668 4.267) 21.136 6.587 ( 6.458 -19.668 4.267) 21.136 7.909 ( -14.165 -22.665 -6.459) 27.497 7.909 ( 14.165 -22.665 -6.459) 27.497 8.919 ( -15.826 16.593 3.242) 23.158 8.919 ( 15.826 16.593 3.242) 23.158 9.867 ( -15.363 13.329 -2.580) 20.502 9.867 ( 15.363 13.329 -2.580) 20.502 11.277 ( -9.543 -1.992 2.436) 10.048 11.277 ( 9.543 -1.992 2.436) 10.048 11.924 ( -2.750 -14.603 2.055) 15.001 11.924 ( 2.750 -14.603 2.055) 15.001 12.479 ( -2.140 -20.897 -0.863) 21.025 12.479 ( 2.140 -20.897 -0.863) 21.025 15.195 ( -3.760 37.067 -6.976) 37.905 15.195 ( 3.760 37.067 -6.976) 37.905 20.050 ( -8.597 -41.687 1.941) 42.608 20.050 ( 8.597 -41.687 1.941) 42.608 23.321 ( -0.787 6.242 -0.114) 6.293 23.321 ( 0.787 6.242 -0.114) 6.293 23.825 ( -1.890 19.013 1.275) 19.149 23.825 ( 1.890 19.013 1.275) 19.149 32.184 ( -0.751 -1.493 0.236) 1.688 32.184 ( 0.751 -1.493 0.236) 1.688 32.264 ( -0.379 1.769 -0.198) 1.820 32.264 ( 0.379 1.769 -0.198) 1.820 35.116 ( -5.166 2.522 3.533) 6.748 35.116 ( 5.166 2.522 3.533) 6.748 35.464 ( -5.661 0.915 -5.110) 7.681 35.464 ( 5.661 0.915 -5.110) 7.681 ======================= Grid point 399 (79/84) ======================= q-point: ( 0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -5.682 -5.682 -2.726) 8.485 1.559 ( 31.829 31.829 -42.541) 61.935 3.728 ( 2.883 2.883 35.428) 35.662 4.022 ( 0.184 0.184 21.371) 21.373 4.976 ( 11.872 11.872 -11.644) 20.432 5.270 ( 7.793 7.793 -24.686) 27.034 7.021 ( 18.585 18.585 23.312) 35.131 7.309 ( 31.637 31.637 7.321) 45.337 7.438 ( 25.187 25.187 -4.497) 35.902 7.509 ( 13.613 13.613 -12.069) 22.722 7.973 ( -2.758 -2.758 8.777) 9.605 8.389 ( -16.336 -16.336 -24.494) 33.670 10.346 ( 2.632 2.632 10.087) 10.752 10.481 ( 6.153 6.153 -1.424) 8.818 10.891 ( 4.125 4.125 15.913) 16.949 11.204 ( 3.999 3.999 -12.689) 13.892 11.998 ( -12.950 -12.950 6.763) 19.522 12.149 ( -14.394 -14.394 -7.353) 21.643 12.315 ( -16.765 -16.765 4.630) 24.157 12.387 ( -16.639 -16.639 -2.799) 23.698 15.434 ( 21.070 21.070 1.978) 29.863 15.637 ( 18.207 18.207 -17.723) 31.258 19.463 ( -18.588 -18.588 24.157) 35.702 19.912 ( -25.222 -25.222 -20.162) 40.973 23.219 ( 7.478 7.478 3.615) 11.176 23.295 ( 6.454 6.454 -3.960) 9.950 24.121 ( 3.053 3.053 5.053) 6.646 24.155 ( 2.939 2.939 1.523) 4.427 32.150 ( -0.249 -0.249 1.660) 1.697 32.184 ( -0.836 -0.836 -1.431) 1.856 32.308 ( -0.871 -0.871 0.681) 1.407 32.321 ( -0.369 -0.369 -0.684) 0.861 34.866 ( 9.162 9.162 6.353) 14.431 35.004 ( 7.228 7.228 -7.148) 12.474 35.542 ( -3.513 -3.513 6.176) 7.927 35.700 ( -4.918 -4.918 -9.025) 11.394 ======================= Grid point 400 (80/84) ======================= q-point: ( 0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 33.460 29.909 38.604) 59.198 2.259 ( 32.547 38.877 -38.035) 63.382 3.190 ( -32.101 41.107 34.784) 62.692 3.936 ( -24.867 26.063 -26.776) 44.884 5.213 ( 27.034 -16.584 29.042) 43.004 5.827 ( 26.000 -29.301 -20.508) 44.217 6.794 ( -17.596 2.300 20.922) 27.435 7.284 ( -15.802 28.369 -18.302) 37.275 7.694 ( 2.567 28.666 3.694) 29.017 7.882 ( -7.611 2.906 -13.403) 15.685 8.496 ( 49.328 12.063 11.920) 52.162 8.758 ( 45.439 7.429 -13.521) 47.986 10.227 ( -14.144 10.767 14.010) 22.633 10.467 ( -10.970 8.533 -9.565) 16.871 11.023 ( 9.418 1.278 15.001) 17.758 11.262 ( 1.820 0.756 -7.927) 8.168 11.730 ( -11.728 -18.424 5.626) 22.554 11.829 ( -16.228 -17.219 -2.113) 23.756 12.039 ( -8.735 -25.053 2.716) 26.671 12.120 ( -10.648 -23.382 -3.708) 25.958 15.804 ( 15.125 35.899 -0.725) 38.961 15.929 ( 9.936 35.365 -12.959) 38.953 19.218 ( -5.768 -33.037 14.085) 36.375 19.488 ( -17.421 -35.907 -12.564) 41.841 23.377 ( 7.738 8.899 2.460) 12.046 23.421 ( 5.693 8.428 -1.941) 10.354 24.110 ( -2.797 5.775 4.140) 7.636 24.137 ( -3.653 5.121 1.499) 6.466 32.150 ( 0.296 -0.624 1.058) 1.263 32.171 ( -0.498 -0.828 -0.862) 1.295 32.284 ( -1.157 -0.638 0.716) 1.503 32.299 ( -1.484 -0.431 -0.745) 1.716 35.052 ( 9.060 6.954 4.678) 12.342 35.151 ( 6.538 5.348 -4.697) 9.665 35.475 ( -2.812 -0.226 3.862) 4.783 35.593 ( -5.890 -1.757 -7.240) 9.497 ======================= Grid point 401 (81/84) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -38.172 38.977 42.876) 69.388 2.134 ( 38.172 38.977 42.876) 69.388 3.283 ( -34.684 40.120 -39.409) 66.073 3.283 ( 34.684 40.120 -39.409) 66.073 5.805 ( -25.876 -28.310 30.245) 48.844 5.805 ( 25.876 -28.310 30.245) 48.844 6.857 ( -22.333 -0.091 -24.133) 32.881 6.857 ( 22.333 -0.091 -24.133) 32.881 7.757 ( -4.355 29.777 -1.711) 30.142 7.757 ( 4.355 29.777 -1.711) 30.142 9.253 ( -14.296 16.295 4.265) 22.093 9.253 ( 14.296 16.295 4.265) 22.093 10.087 ( -15.452 8.612 -1.369) 17.743 10.087 ( 15.452 8.612 -1.369) 17.743 11.222 ( -7.972 -4.007 2.493) 9.264 11.222 ( 7.972 -4.007 2.493) 9.264 11.620 ( -2.757 -15.401 4.736) 16.346 11.620 ( 2.757 -15.401 4.736) 16.346 11.981 ( -2.621 -28.370 -2.648) 28.613 11.981 ( 2.621 -28.370 -2.648) 28.613 15.996 ( -3.497 42.501 -6.014) 43.067 15.996 ( 3.497 42.501 -6.014) 43.067 19.236 ( -7.369 -40.156 -0.039) 40.827 19.236 ( 7.369 -40.156 -0.039) 40.827 23.478 ( -1.124 9.547 0.494) 9.625 23.478 ( 1.124 9.547 0.494) 9.625 24.076 ( -0.816 6.094 2.464) 6.624 24.076 ( 0.816 6.094 2.464) 6.624 32.161 ( -0.611 -0.686 0.163) 0.933 32.161 ( 0.611 -0.686 0.163) 0.933 32.276 ( -0.512 -0.615 -0.103) 0.807 32.276 ( 0.512 -0.615 -0.103) 0.807 35.191 ( -3.624 5.051 1.753) 6.459 35.191 ( 3.624 5.051 1.753) 6.459 35.481 ( -4.199 0.564 -3.360) 5.408 35.481 ( 4.199 0.564 -3.360) 5.408 ======================= Grid point 411 (82/84) ======================= q-point: ( 0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 42.007 42.007 49.396) 77.261 3.001 ( 31.634 31.634 -26.351) 51.921 3.830 ( 1.124 1.124 26.980) 27.026 3.973 ( 1.168 1.168 17.182) 17.261 5.244 ( -0.987 -0.987 -8.183) 8.301 5.369 ( 3.676 3.676 -21.297) 21.922 6.384 ( -24.933 -24.933 16.299) 38.845 6.981 ( -31.468 -31.468 -33.937) 55.965 8.570 ( 29.322 29.322 3.189) 41.590 8.617 ( 28.223 28.223 -1.083) 39.928 8.802 ( 32.426 32.426 8.596) 46.655 9.003 ( 29.328 29.328 -9.925) 42.647 10.325 ( -3.916 -3.916 12.171) 13.372 10.543 ( -4.037 -4.037 -9.232) 10.854 11.027 ( -0.918 -0.918 16.454) 16.505 11.268 ( -15.803 -15.803 -3.650) 22.644 11.322 ( -5.761 -5.761 3.329) 8.801 11.457 ( -14.974 -14.974 -5.869) 21.975 11.607 ( -16.752 -16.752 6.133) 24.472 11.723 ( -15.738 -15.738 -4.112) 22.633 16.469 ( 29.331 29.331 -0.509) 41.484 16.576 ( 27.158 27.158 -11.083) 39.975 18.649 ( -22.605 -22.605 8.852) 33.172 18.840 ( -28.570 -28.570 -10.021) 41.628 23.568 ( 9.512 9.512 2.353) 13.656 23.594 ( 8.353 8.353 -0.339) 11.818 24.128 ( -2.682 -2.682 3.390) 5.086 24.143 ( -3.322 -3.322 1.917) 5.074 32.148 ( 0.421 0.421 0.822) 1.015 32.164 ( 0.032 0.032 -0.646) 0.647 32.258 ( -1.575 -1.575 0.691) 2.331 32.273 ( -1.850 -1.850 -0.724) 2.715 35.197 ( 7.081 7.081 2.953) 10.441 35.266 ( 5.453 5.453 -3.767) 8.582 35.461 ( -1.022 -1.022 2.885) 3.227 35.545 ( -3.162 -3.162 -5.188) 6.849 ======================= Grid point 412 (83/84) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -36.275 40.157 42.259) 68.661 2.932 ( 36.275 40.157 42.259) 68.661 3.897 ( -20.390 14.357 -13.976) 28.586 3.897 ( 20.390 14.357 -13.976) 28.586 5.362 ( -17.926 -8.135 9.945) 22.055 5.362 ( 17.926 -8.135 9.945) 22.055 6.366 ( -25.512 -34.831 -27.478) 51.177 6.366 ( 25.512 -34.831 -27.478) 51.177 8.757 ( -2.255 53.756 0.646) 53.807 8.757 ( 2.255 53.756 0.646) 53.807 9.535 ( -12.271 10.942 2.199) 16.587 9.535 ( 12.271 10.942 2.199) 16.587 10.209 ( -14.953 4.551 0.642) 15.643 10.209 ( 14.953 4.551 0.642) 15.643 11.017 ( -3.054 -23.211 3.639) 23.692 11.017 ( 3.054 -23.211 3.639) 23.692 11.342 ( -6.980 -10.010 7.286) 14.213 11.342 ( 6.980 -10.010 7.286) 14.213 11.486 ( -8.195 -15.649 -5.745) 18.576 11.486 ( 8.195 -15.649 -5.745) 18.576 16.844 ( -4.012 42.419 -4.646) 42.860 16.844 ( 4.012 42.419 -4.646) 42.860 18.453 ( -6.232 -39.201 -1.773) 39.733 18.453 ( 6.232 -39.201 -1.773) 39.733 23.692 ( -0.713 11.623 1.422) 11.731 23.692 ( 0.713 11.623 1.422) 11.731 24.082 ( -0.418 -4.786 2.362) 5.353 24.082 ( 0.418 -4.786 2.362) 5.353 32.161 ( -0.574 0.820 0.204) 1.021 32.161 ( 0.574 0.820 0.204) 1.021 32.244 ( -0.568 -2.333 -0.143) 2.405 32.244 ( 0.568 -2.333 -0.143) 2.405 35.305 ( -2.739 6.006 0.460) 6.617 35.305 ( 2.739 6.006 0.460) 6.617 35.474 ( -3.168 -1.552 -1.928) 4.020 35.474 ( 3.168 -1.552 -1.928) 4.020 ======================= Grid point 428 (84/84) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( -0.000 -0.000 34.528) 34.528 3.604 ( 0.000 0.000 34.528) 34.528 3.731 ( 0.000 0.000 25.141) 25.141 3.731 ( 0.000 0.000 25.141) 25.141 5.613 ( -0.000 -0.000 -20.597) 20.597 5.613 ( 0.000 0.000 -20.597) 20.597 5.720 ( 0.000 0.000 -27.791) 27.791 5.720 ( 0.000 0.000 -27.791) 27.791 9.535 ( 0.000 0.000 1.627) 1.627 9.535 ( 0.000 0.000 1.627) 1.627 9.552 ( -0.000 -0.000 0.127) 0.127 9.552 ( -0.000 -0.000 0.127) 0.127 10.418 ( -0.000 -0.000 3.482) 3.482 10.418 ( 0.000 0.000 3.482) 3.482 10.438 ( -0.000 -0.000 1.904) 1.904 10.438 ( 0.000 0.000 1.904) 1.904 11.263 ( -0.000 -0.000 5.088) 5.088 11.263 ( 0.000 0.000 5.088) 5.088 11.351 ( -0.000 -0.000 -3.118) 3.118 11.351 ( 0.000 0.000 -3.118) 3.118 17.635 ( 0.000 0.000 -0.286) 0.286 17.635 ( 0.000 0.000 -0.286) 0.286 17.698 ( -0.000 -0.000 -6.203) 6.203 17.698 ( -0.000 -0.000 -6.203) 6.203 23.903 ( -0.000 -0.000 3.636) 3.636 23.903 ( 0.000 0.000 3.636) 3.636 23.936 ( -0.000 -0.000 0.359) 0.359 23.936 ( 0.000 0.000 0.359) 0.359 32.186 ( 0.000 0.000 0.876) 0.876 32.186 ( 0.000 0.000 0.876) 0.876 32.203 ( -0.000 -0.000 -0.820) 0.820 32.203 ( 0.000 0.000 -0.820) 0.820 35.405 ( -0.000 -0.000 0.145) 0.145 35.405 ( 0.000 0.000 0.145) 0.145 35.422 ( -0.000 -0.000 -1.523) 1.523 35.422 ( 0.000 0.000 -1.523) 1.523 =================== 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 3/25200 10.0 61.125 61.125 69.560 0.000 0.000 0.000 3/25200 20.0 34.043 34.043 52.732 0.000 0.000 0.000 3/25200 30.0 24.440 24.440 37.785 0.000 0.000 0.000 3/25200 40.0 19.787 19.787 29.506 0.000 0.000 0.000 3/25200 50.0 16.955 16.955 24.290 0.000 0.000 0.000 3/25200 60.0 14.986 14.986 20.681 0.000 0.000 0.000 3/25200 70.0 13.504 13.504 18.028 0.000 0.000 0.000 3/25200 80.0 12.331 12.331 15.991 0.000 0.000 0.000 3/25200 90.0 11.371 11.371 14.378 0.000 0.000 0.000 3/25200 100.0 10.568 10.568 13.070 0.000 0.000 0.000 3/25200 110.0 9.886 9.886 11.990 0.000 0.000 0.000 3/25200 120.0 9.298 9.298 11.084 0.000 0.000 0.000 3/25200 130.0 8.787 8.787 10.316 0.000 0.000 0.000 3/25200 140.0 8.339 8.339 9.656 0.000 0.000 0.000 3/25200 150.0 7.941 7.941 9.083 0.000 0.000 0.000 3/25200 160.0 7.585 7.585 8.582 0.000 0.000 0.000 3/25200 170.0 7.265 7.265 8.139 0.000 0.000 0.000 3/25200 180.0 6.975 6.975 7.744 0.000 0.000 0.000 3/25200 190.0 6.710 6.710 7.391 0.000 0.000 0.000 3/25200 200.0 6.466 6.466 7.071 0.000 0.000 0.000 3/25200 210.0 6.241 6.241 6.781 0.000 0.000 0.000 3/25200 220.0 6.033 6.033 6.515 0.000 0.000 0.000 3/25200 230.0 5.838 5.838 6.271 0.000 0.000 0.000 3/25200 240.0 5.657 5.657 6.046 0.000 0.000 0.000 3/25200 250.0 5.486 5.486 5.838 0.000 0.000 0.000 3/25200 260.0 5.326 5.326 5.644 0.000 0.000 0.000 3/25200 270.0 5.175 5.175 5.464 0.000 0.000 0.000 3/25200 280.0 5.032 5.032 5.294 0.000 0.000 0.000 3/25200 290.0 4.897 4.897 5.136 0.000 0.000 0.000 3/25200 300.0 4.768 4.768 4.987 0.000 0.000 0.000 3/25200 310.0 4.647 4.647 4.846 0.000 0.000 0.000 3/25200 320.0 4.530 4.530 4.713 0.000 0.000 0.000 3/25200 330.0 4.420 4.420 4.588 0.000 0.000 0.000 3/25200 340.0 4.314 4.314 4.468 0.000 0.000 0.000 3/25200 350.0 4.213 4.213 4.355 0.000 0.000 0.000 3/25200 360.0 4.117 4.117 4.248 0.000 0.000 0.000 3/25200 370.0 4.025 4.025 4.145 0.000 0.000 0.000 3/25200 380.0 3.936 3.936 4.048 0.000 0.000 0.000 3/25200 390.0 3.851 3.851 3.955 0.000 0.000 0.000 3/25200 400.0 3.770 3.770 3.866 0.000 0.000 0.000 3/25200 410.0 3.692 3.692 3.781 0.000 0.000 0.000 3/25200 420.0 3.617 3.617 3.699 0.000 0.000 0.000 3/25200 430.0 3.544 3.544 3.621 0.000 0.000 0.000 3/25200 440.0 3.475 3.475 3.546 0.000 0.000 0.000 3/25200 450.0 3.408 3.408 3.474 0.000 0.000 0.000 3/25200 460.0 3.343 3.343 3.405 0.000 0.000 0.000 3/25200 470.0 3.281 3.281 3.339 0.000 0.000 0.000 3/25200 480.0 3.221 3.221 3.275 0.000 0.000 0.000 3/25200 490.0 3.163 3.163 3.213 0.000 0.000 0.000 3/25200 500.0 3.107 3.107 3.154 0.000 0.000 0.000 3/25200 510.0 3.052 3.052 3.096 0.000 0.000 0.000 3/25200 520.0 3.000 3.000 3.041 0.000 0.000 0.000 3/25200 530.0 2.949 2.949 2.988 0.000 0.000 0.000 3/25200 540.0 2.900 2.900 2.936 0.000 0.000 0.000 3/25200 550.0 2.853 2.853 2.886 0.000 0.000 0.000 3/25200 560.0 2.807 2.807 2.838 0.000 0.000 0.000 3/25200 570.0 2.762 2.762 2.792 0.000 0.000 0.000 3/25200 580.0 2.719 2.719 2.746 0.000 0.000 0.000 3/25200 590.0 2.677 2.677 2.703 0.000 0.000 0.000 3/25200 600.0 2.636 2.636 2.660 0.000 0.000 0.000 3/25200 610.0 2.596 2.596 2.619 0.000 0.000 0.000 3/25200 620.0 2.558 2.558 2.579 0.000 0.000 0.000 3/25200 630.0 2.520 2.520 2.541 0.000 0.000 0.000 3/25200 640.0 2.484 2.484 2.503 0.000 0.000 0.000 3/25200 650.0 2.449 2.449 2.466 0.000 0.000 0.000 3/25200 660.0 2.414 2.414 2.431 0.000 0.000 0.000 3/25200 670.0 2.381 2.381 2.396 0.000 0.000 0.000 3/25200 680.0 2.348 2.348 2.363 0.000 0.000 0.000 3/25200 690.0 2.316 2.316 2.330 0.000 0.000 0.000 3/25200 700.0 2.286 2.286 2.299 0.000 0.000 0.000 3/25200 710.0 2.255 2.255 2.268 0.000 0.000 0.000 3/25200 720.0 2.226 2.226 2.238 0.000 0.000 0.000 3/25200 730.0 2.198 2.198 2.208 0.000 0.000 0.000 3/25200 740.0 2.170 2.170 2.180 0.000 0.000 0.000 3/25200 750.0 2.142 2.142 2.152 0.000 0.000 0.000 3/25200 760.0 2.116 2.116 2.125 0.000 0.000 0.000 3/25200 770.0 2.090 2.090 2.098 0.000 0.000 0.000 3/25200 780.0 2.065 2.065 2.072 0.000 0.000 0.000 3/25200 790.0 2.040 2.040 2.047 0.000 0.000 0.000 3/25200 800.0 2.016 2.016 2.022 0.000 0.000 0.000 3/25200 810.0 1.992 1.992 1.998 0.000 0.000 0.000 3/25200 820.0 1.969 1.969 1.975 0.000 0.000 0.000 3/25200 830.0 1.947 1.947 1.952 0.000 0.000 0.000 3/25200 840.0 1.925 1.925 1.929 0.000 0.000 0.000 3/25200 850.0 1.903 1.903 1.907 0.000 0.000 0.000 3/25200 860.0 1.882 1.882 1.886 0.000 0.000 0.000 3/25200 870.0 1.861 1.861 1.865 0.000 0.000 0.000 3/25200 880.0 1.841 1.841 1.845 0.000 0.000 0.000 3/25200 890.0 1.821 1.821 1.824 0.000 0.000 0.000 3/25200 900.0 1.802 1.802 1.805 0.000 0.000 0.000 3/25200 910.0 1.783 1.783 1.786 0.000 0.000 0.000 3/25200 920.0 1.764 1.764 1.767 0.000 0.000 0.000 3/25200 930.0 1.746 1.746 1.748 0.000 0.000 0.000 3/25200 940.0 1.728 1.728 1.730 0.000 0.000 0.000 3/25200 950.0 1.711 1.711 1.712 0.000 0.000 0.000 3/25200 960.0 1.694 1.694 1.695 0.000 0.000 0.000 3/25200 970.0 1.677 1.677 1.678 0.000 0.000 0.000 3/25200 980.0 1.660 1.660 1.661 0.000 0.000 0.000 3/25200 990.0 1.644 1.644 1.645 0.000 0.000 0.000 3/25200 1000.0 1.628 1.628 1.629 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:12:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|